A0A2K5MEI7_CERAT Loading...

Ligand of Numb protein X 2

AlphaFold DB , UniProt , Accession A0A2K5MEI7, Species CERAT (Cercocebus atys, Sooty mangabey), Gene LNX2, Length 690 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	32.8	Very low	28.7	Very low	223 Å²	223	142.3 Å²	142.3	100%	1.099	80%	0.798	S	S	*	*				0	76.3	0	-62.5	168.7	178.4	0	0	104.7
2	E	30.3	Very low	28.6	Very low	162 Å²	162	144.3 Å²	144.3	76%	0.757	80%	0.797	S	S	*	*				84.5	95.7	85.7	-75.7	160.4	138.2	0	0	108.3
3	T	27.2	Very low	28.5	Very low	121 Å²	121	148.5 Å²	148.5	74%	0.742	81%	0.807	S	S	*	*				93.6	147.6	62.2	54	0	0	0	0	113.3
4	T	28.2	Very low	28.5	Very low	139 Å²	139	147 Å²	147	85%	0.853	81%	0.805	S	S	*	*			trans	78.9	127.7	167.3	57.4	0	0	0	0	119.9
5	S	29.5	Very low	28.2	Very low	92 Å²	92	144.3 Å²	144.3	64%	0.643	80%	0.801	S	S	*	*			trans	-67.3	158.9	158.6	45.1	0	0	0	0	111.6
6	D	25.6	Very low	28.4	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	81%	0.806	S	S	*	*				177.6	160.9	100.1	-100.6	-52.3	0	0	0	116.5
7	E	26.7	Very low	28.5	Very low	170 Å²	170	140.5 Å²	140.5	79%	0.794	80%	0.799	S	S	*	*			trans	49.9	126.9	153.6	-67.2	-163.1	107.8	0	0	125.7
8	M	32.2	Very low	29	Very low	179 Å²	179	138.4 Å²	138.4	88%	0.882	80%	0.795	S	S	*	*			trans	-44	127.8	148	176.4	172.2	67.8	0	0	114.4
9	S	24.5	Very low	29.7	Very low	106 Å²	106	137.3 Å²	137.3	74%	0.741	79%	0.785	S	S	*	*			trans	-153.6	132.8	153.9	54.5	0	0	0	0	113.3
10	S	30.1	Very low	30.6	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	76%	0.755	S	S	*	*			trans	-95	123.3	168.9	51.1	0	0	0	0	109.5
11	V	28.8	Very low	32.2	Very low	118 Å²	118	130.6 Å²	130.6	72%	0.715	75%	0.75	S	S	*	*			trans	-133.6	103.1	170.9	-174.2	0	0	0	0	110
12	E	26.9	Very low	33.9	Very low	166 Å²	166	121.6 Å²	121.6	78%	0.776	71%	0.706	S	S	*	*				22.8	123.2	129.5	-54.6	-173.7	129.1	0	0	118.8
13	Q	28.1	Very low	35.9	Very low	199 Å²	199	114.9 Å²	114.9	93%	0.93	68%	0.677	S	S	*	*			trans	-111.7	115.1	150.9	-76.4	-173.7	-2.2	0	0	109.7
14	T	27.7	Very low	37.8	Very low	128 Å²	128	116.2 Å²	116.2	79%	0.785	67%	0.673	S	S	*	*			trans	-88.7	126.6	176.2	40.5	0	0	0	0	110.7
15	S	24.9	Very low	39.7	Very low	106 Å²	106	113.4 Å²	113.4	74%	0.741	65%	0.65	S	S	*	*			trans	-154	113.4	155	42.9	0	0	0	0	111.6	S17	S15-S17 PolarHBondContact O-N 3.17Å
16	S	30.8	Very low	41.9	Very low	125 Å²	125	109 Å²	109	87%	0.874	62%	0.619	S	S	*	*			trans	30	88	155.2	58.5	0	0	0	0	118.5
17	S	30.9	Very low	44	Very low	100 Å²	100	102.8 Å²	102.8	70%	0.699	59%	0.588	S	S	*	*			trans	-117.8	116	151.7	53.6	0	0	0	0	110.5	S15 L19	S15-S17 PolarHBondContact O-N 3.17Å; S17-L19 PolarHBondContact O-N 3.45Å; S17-L19 VanDerWaalsContact O-N 3.13Å
18	S	36.7	Very low	46.4	Very low	103 Å²	103	96.7 Å²	96.7	72%	0.72	56%	0.559	S	S	*	*			trans	-62.9	109.3	170.6	16.8	0	0	0	0	108.9	N20	S18-N20 VanDerWaalsContact C-N 3.34Å; S18-N20 PolarHBondContact O-N 2.8Å
19	L	42.2	Very low	48.5	Very low	116 Å²	116	93.1 Å²	93.1	61%	0.607	54%	0.541	S	S	*	.			trans	-69.7	85.8	-177.1	-69.7	167.5	0	0	0	111	S17	S17-L19 PolarHBondContact O-N 3.45Å; S17-L19 VanDerWaalsContact O-N 3.13Å
20	N	48.6	Very low	50.7	Low	34 Å²	34	89 Å²	89	18%	0.182	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-58.1	139.9	167.6	-77.8	-11.4	0	0	0	109.8	S18 Q29 W31	S18-N20 VanDerWaalsContact C-N 3.34Å; S18-N20 PolarHBondContact O-N 2.8Å; N20-Q29 HydrophobicContact CB-CG 4.01Å; N20-W31 VanDerWaalsContact ND2-CH2 3.25Å; N20-W31 WeakPolarHBondContact ND2-CH2 3.14Å; N20-W31 WeakPolarHBondContact ND2-CZ2 3.27Å; N20-W31 WeakPolarHBondContact ND2-CZ3 3.28Å
21	P	63.3	Low	52.3	Low	101 Å²	101	90.8 Å²	90.8	66%	0.656	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-62.3	139.2	174.7	27	-33.6	0	0	0	110
22	L	68.3	Low	53.9	Low	33 Å²	33	91.3 Å²	91.3	17%	0.173	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-64.4	146.3	170.1	-67.7	-177.8	0	0	0	109.9	F24 Q29 F116 R143	L22-F24 PolarHBondContact O-N 2.79Å; L22-Q29 HydrophobicContact CD2-CB 3.92Å; L22-F116 HydrophobicContact CD1-CE1 4.23Å; L22-F116 HydrophobicContact CD1-CZ 3.68Å; L22-R143 VanDerWaalsContact CD1-CZ 3.44Å
23	C	73.1	Confident	55.7	Low	21 Å²	21	93.5 Å²	93.5	14%	0.142	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-66.3	130.1	170.2	-177	0	0	0	0	110.7	E25 G27 Q28 H30 H36	C23-E25 VanDerWaalsContact C-N 3.26Å; C23-E25 PolarHBondContact O-N 2.82Å; C23-E25 PolarHBondContact SG-N 3.47Å; C23-E25 VanDerWaalsContact SG-N 3.44Å; C23-G27 WeakPolarHBondContact O-CA 3.38Å; C23-G27 PolarHBondContact O-N 2.89Å; C23-Q28 PolarHBondContact N-O 3.28Å; C23-H30 WeakPolarHBondContact CB-NE2 3.38Å; C23-H30 PolarHBondContact SG-NE2 3.05Å; C23-H36 PolarHBondContact SG-ND1 2.85Å
24	F	67.7	Low	57.7	Low	150 Å²	150	88.4 Å²	88.4	66%	0.658	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.7	178	-64.4	-76.2	0	0	0	114	L22	L22-F24 PolarHBondContact O-N 2.79Å
25	E	67.8	Low	60.2	Low	79 Å²	79	83.6 Å²	83.6	37%	0.369	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-40.8	-178.4	-64.3	170.8	-145	0	0	112.4	C23 H36	C23-E25 VanDerWaalsContact C-N 3.26Å; C23-E25 PolarHBondContact O-N 2.82Å; C23-E25 PolarHBondContact SG-N 3.47Å; C23-E25 VanDerWaalsContact SG-N 3.44Å; E25-H36 IonicContact OE1-CE1 2.98Å; E25-H36 IonicContact OE2-CD2 3.58Å; E25-H36 IonicContact OE2-CE1 2.67Å; E25-H36 PolarHBondContact OE2-CE1 2.82Å; E25-H36 IonicContact OE2-ND1 2.65Å; E25-H36 IonicContact OE2-NE2 2.8Å; E25-H36 PolarHBondContact OE2-NE2 2.88Å
26	C	74.9	Confident	62.9	Low	0 Å²	0	80 Å²	80	0%	0	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-3.9	-176.9	79.6	0	0	0	0	115.1	Q28 H36 L37 Y38 L133	C26-Q28 PolarHBondContact O-N 3.07Å; C26-H36 HydrophobicContact CB-CB 4.02Å; C26-L37 VanDerWaalsContact CB-O 3.25Å; C26-L37 WeakPolarHBondContact CB-O 3.35Å; C26-L37 PolarHBondContact SG-N 2.91Å; C26-L37 VanDerWaalsContact SG-N 3.44Å; C26-L37 PolarHBondContact SG-O 2.86Å; C26-Y38 HydrophobicContact CB-CD1 4.26Å; C26-Y38 HydrophobicContact CB-CE1 3.95Å; C26-Y38 HydrophobicContact CB-CE2 4.45Å; C26-L133 VanDerWaalsContact C-CD1 3.49Å
27	G	69.4	Low	65.4	Low	8 Å²	8	77.3 Å²	77.3	8%	0.082	40%	0.396	C	S	.	.			trans	70.7	5.2	175.7	0	0	0	0	0	115.7	C23	C23-G27 WeakPolarHBondContact O-CA 3.38Å; C23-G27 PolarHBondContact O-N 2.89Å
28	Q	77.6	Confident	68	Low	41 Å²	41	74.2 Å²	74.2	19%	0.192	37%	0.369	C	S	.	.	S	Bend	trans	-99.6	163.9	179.1	-56.6	-153.5	27.6	0	0	112.7	C23 C26 L37 N39 P115	C23-Q28 PolarHBondContact N-O 3.28Å; C26-Q28 PolarHBondContact O-N 3.07Å; Q28-L37 HydrophobicContact CB-CB 4.11Å; Q28-L37 HydrophobicContact CG-CB 4.16Å; Q28-L37 WeakPolarHBondContact CG-O 3.09Å; Q28-L37 PolarHBondContact NE2-O 3.26Å; Q28-L37 VanDerWaalsContact NE2-O 3.07Å; Q28-N39 PolarHBondContact NE2-OD1 2.87Å; Q28-P115 HydrophobicContact CG-CB 4.18Å
29	Q	75.3	Confident	70.3	Confident	105 Å²	105	72.5 Å²	72.5	49%	0.491	35%	0.352	S	S	.	.			trans	-92.9	103.1	177.6	-173.6	171.7	-23.1	0	0	109.8	N20 L22	N20-Q29 HydrophobicContact CB-CG 4.01Å; L22-Q29 HydrophobicContact CD2-CB 3.92Å
30	H	71.1	Confident	72.5	Confident	19 Å²	19	69.1 Å²	69.1	9%	0.088	33%	0.331	C	S	.	.			trans	-143.4	161.1	173.9	67.5	85.1	0	0	0	109.8	C23 E34 H36 L37	C23-H30 WeakPolarHBondContact CB-NE2 3.38Å; C23-H30 PolarHBondContact SG-NE2 3.05Å; H30-E34 HydrophobicContact CB-CB 4.3Å; H30-E34 WeakPolarHBondContact CB-OE2 3.47Å; H30-H36 AromaticContact CE1-ND1 3.63Å; H30-H36 AromaticContact NE2-ND1 3.46Å; H30-H36 PolarHBondContact NE2-ND1 2.83Å; H30-L37 HydrophobicContact CB-CD1 4.34Å
31	W	65.1	Low	74.2	Confident	154 Å²	154	72 Å²	72	58%	0.583	34%	0.344	S	S	*	.			trans	-74.5	155.1	176.5	-60.8	98	0	0	0	111	N20 R33 E34	N20-W31 VanDerWaalsContact ND2-CH2 3.25Å; N20-W31 WeakPolarHBondContact ND2-CH2 3.14Å; N20-W31 WeakPolarHBondContact ND2-CZ2 3.27Å; N20-W31 WeakPolarHBondContact ND2-CZ3 3.28Å; W31-R33 PolarHBondContact O-N 3.38Å; W31-R33 VanDerWaalsContact O-N 3.16Å; W31-E34 HydrophobicContact CB-CG 4.16Å; W31-E34 PolarHBondContact N-OE2 3.04Å; W31-E34 WeakPolarHBondContact O-CB 3.48Å; W31-E34 PolarHBondContact O-N 2.98Å
32	T	61.9	Low	75.2	Confident	130 Å²	130	71.8 Å²	71.8	80%	0.798	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.9	-178.8	53	0	0	0	0	113.6	E34 K72	T32-E34 VanDerWaalsContact C-N 3.32Å; T32-K72 PolarHBondContact O-NZ 2.78Å; T32-K72 VanDerWaalsContact O-NZ 3.09Å
33	R	64.3	Low	75.7	Confident	212 Å²	212	79.8 Å²	79.8	80%	0.8	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-16.2	175.3	-65.2	-175.1	177.7	-171.9	-0.2	113.8	W31	W31-R33 PolarHBondContact O-N 3.38Å; W31-R33 VanDerWaalsContact O-N 3.16Å
34	E	70.3	Confident	76.3	Confident	91 Å²	91	80 Å²	80	43%	0.425	38%	0.375	S	S	.	.	S	Bend	trans	-88.3	164.5	-178.9	-67.2	170.7	161.8	0	0	111.8	H30 W31 T32 K72	H30-E34 HydrophobicContact CB-CB 4.3Å; H30-E34 WeakPolarHBondContact CB-OE2 3.47Å; W31-E34 HydrophobicContact CB-CG 4.16Å; W31-E34 PolarHBondContact N-OE2 3.04Å; W31-E34 WeakPolarHBondContact O-CB 3.48Å; W31-E34 PolarHBondContact O-N 2.98Å; T32-E34 VanDerWaalsContact C-N 3.32Å; E34-K72 WeakPolarHBondContact O-CD 3.46Å; E34-K72 PolarHBondContact O-NZ 3.42Å
35	N	79.3	Confident	77.2	Confident	28 Å²	28	77.7 Å²	77.7	15%	0.15	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-72.8	153.1	173	-86.3	-12.1	0	0	0	111	L58 K72 C73	N35-L58 HydrophobicContact CB-CD1 3.63Å; N35-K72 WeakPolarHBondContact OD1-CB 3.38Å; N35-C73 PolarHBondContact ND2-SG 2.97Å
36	H	82.1	Confident	78	Confident	29 Å²	29	80 Å²	80	13%	0.134	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-70.1	134.9	174.8	-57.3	-87.4	0	0	0	110.1	C23 E25 C26 H30 Y38 L58	C23-H36 PolarHBondContact SG-ND1 2.85Å; E25-H36 IonicContact OE1-CE1 2.98Å; E25-H36 IonicContact OE2-CD2 3.58Å; E25-H36 IonicContact OE2-CE1 2.67Å; E25-H36 PolarHBondContact OE2-CE1 2.82Å; E25-H36 IonicContact OE2-ND1 2.65Å; E25-H36 IonicContact OE2-NE2 2.8Å; E25-H36 PolarHBondContact OE2-NE2 2.88Å; C26-H36 HydrophobicContact CB-CB 4.02Å; H30-H36 AromaticContact CE1-ND1 3.63Å; H30-H36 AromaticContact NE2-ND1 3.46Å; H30-H36 PolarHBondContact NE2-ND1 2.83Å; H36-Y38 HydrophobicContact CB-CD2 4.4Å; H36-Y38 HydrophobicContact CB-CE2 3.63Å; H36-L58 HydrophobicContact CB-CD1 4.08Å; H36-L58 VanDerWaalsContact O-CD1 3.22Å; H36-L58 WeakPolarHBondContact O-CD1 3.34Å
37	L	82.7	Confident	78.6	Confident	69 Å²	69	87 Å²	87	36%	0.361	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-98.9	127.3	-178.9	-65.9	169	0	0	0	109.8	C26 Q28 H30	C26-L37 VanDerWaalsContact CB-O 3.25Å; C26-L37 WeakPolarHBondContact CB-O 3.35Å; C26-L37 PolarHBondContact SG-N 2.91Å; C26-L37 VanDerWaalsContact SG-N 3.44Å; C26-L37 PolarHBondContact SG-O 2.86Å; Q28-L37 HydrophobicContact CB-CB 4.11Å; Q28-L37 HydrophobicContact CG-CB 4.16Å; Q28-L37 WeakPolarHBondContact CG-O 3.09Å; Q28-L37 PolarHBondContact NE2-O 3.26Å; Q28-L37 VanDerWaalsContact NE2-O 3.07Å; H30-L37 HydrophobicContact CB-CD1 4.34Å
38	Y	85.6	Confident	79.6	Confident	35 Å²	35	87.6 Å²	87.6	14%	0.137	42%	0.422	C	S	.	.			trans	-123.8	137.3	-179.4	-64.4	-90.7	0	0	0	109.4	C26 H36 Y40 L58 V112 R126 L129	C26-Y38 HydrophobicContact CB-CD1 4.26Å; C26-Y38 HydrophobicContact CB-CE1 3.95Å; C26-Y38 HydrophobicContact CB-CE2 4.45Å; H36-Y38 HydrophobicContact CB-CD2 4.4Å; H36-Y38 HydrophobicContact CB-CE2 3.63Å; Y38-Y40 WeakPolarHBondContact O-CD2 3.24Å; Y38-Y40 PolarHBondContact O-N 2.82Å; Y38-L58 HydrophobicContact CD2-CD2 4.08Å; Y38-L58 HydrophobicContact CE2-CD1 4.47Å; Y38-L58 HydrophobicContact CE2-CD2 3.65Å; Y38-V112 HydrophobicContact CD1-CG1 4.3Å; Y38-V112 HydrophobicContact CG-CG1 4.5Å; Y38-R126 HydrophobicContact CD1-CG 3.72Å; Y38-R126 HydrophobicContact CE1-CG 3.71Å; Y38-R126 HydrophobicContact CG-CG 4.17Å; Y38-L129 HydrophobicContact CD1-CD2 3.61Å; Y38-L129 HydrophobicContact CE1-CD2 3.9Å
39	N	85.9	Confident	80.2	Confident	68 Å²	68	86.9 Å²	86.9	36%	0.364	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	83.4	177.2	-66.8	-15.9	0	0	0	109	Q28 V112 L113	Q28-N39 PolarHBondContact NE2-OD1 2.87Å; N39-V112 CarbonylContact O-C 3.57Å; N39-V112 WeakPolarHBondContact O-CA 3.47Å; N39-L113 HydrophobicContact CB-CB 4.07Å; N39-L113 PolarHBondContact O-N 2.89Å
40	Y	88.1	Confident	81	Confident	45 Å²	45	81.9 Å²	81.9	18%	0.176	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	135.2	178.1	-62.9	-79	0	0	0	110.9	Y38 V44 P56 L110 L111 V112 R126	Y38-Y40 WeakPolarHBondContact O-CD2 3.24Å; Y38-Y40 PolarHBondContact O-N 2.82Å; Y40-V44 HydrophobicContact CD1-CG2 4.11Å; Y40-V44 HydrophobicContact CG-CG2 4.13Å; Y40-P56 HydrophobicContact CD2-CG 3.89Å; Y40-P56 HydrophobicContact CE1-CB 4.32Å; Y40-P56 HydrophobicContact CE1-CG 4.28Å; Y40-P56 HydrophobicContact CE2-CB 3.97Å; Y40-P56 HydrophobicContact CE2-CG 3.51Å; Y40-P56 HydrophobicContact CG-CG 4.41Å; Y40-L110 HydrophobicContact CD1-CB 3.9Å; Y40-L110 HydrophobicContact CD1-CD1 4.22Å; Y40-L110 HydrophobicContact CE1-CB 3.76Å; Y40-L110 HydrophobicContact CE1-CD1 3.7Å; Y40-L110 HydrophobicContact CE1-CG 4.4Å; Y40-L111 WeakPolarHBondContact CA-O 3.25Å; Y40-V112 HydrophobicContact CD1-CG1 3.64Å; Y40-V112 HydrophobicContact CE1-CG1 3.73Å; Y40-V112 HydrophobicContact CG-CG1 4.37Å; Y40-R126 WeakPolarHBondContact OH-CD 2.99Å
41	Q	83.8	Confident	81.8	Confident	93 Å²	93	86 Å²	86	44%	0.435	42%	0.417	S	S	.	.	S	Bend	trans	-79.1	-38	-179.8	-175	-173.8	9.7	0	0	112.1	L111 L113	Q41-L111 HydrophobicContact CB-CB 4.28Å; Q41-L111 PolarHBondContact N-O 2.85Å; Q41-L113 HydrophobicContact CB-CD1 4.46Å; Q41-L113 HydrophobicContact CB-CG 4.4Å
42	N	84.6	Confident	82.9	Confident	97 Å²	97	81.5 Å²	81.5	52%	0.519	40%	0.403	S	S	.	.	S	Bend	trans	-112.5	158.1	-176.1	-58.6	-19.4	0	0	0	109.5
43	E	78.9	Confident	84.1	Confident	201 Å²	201	77.3 Å²	77.3	94%	0.939	38%	0.379	S	S	*	.			trans	-57.6	141.4	164.6	-65.3	178.9	171.4	0	0	109.8
44	V	86.3	Confident	85.2	Confident	27 Å²	27	73.3 Å²	73.3	16%	0.164	37%	0.372	C	S	.	.			trans	-108.5	136.9	-176.4	180	0	0	0	0	108.2	Y40 D46 L48 P56 L110	Y40-V44 HydrophobicContact CD1-CG2 4.11Å; Y40-V44 HydrophobicContact CG-CG2 4.13Å; V44-D46 PolarHBondContact O-N 2.99Å; V44-L48 HydrophobicContact CG1-CB 4.07Å; V44-P56 HydrophobicContact CB-CG 3.83Å; V44-P56 HydrophobicContact CG1-CB 4.07Å; V44-P56 HydrophobicContact CG1-CG 3.82Å; V44-P56 HydrophobicContact CG2-CG 3.7Å; V44-L110 HydrophobicContact CG1-CD1 3.7Å; V44-L110 HydrophobicContact CG1-CD2 3.91Å; V44-L110 HydrophobicContact CG1-CG 4.48Å; V44-L110 HydrophobicContact CG2-CD1 4.04Å; V44-L110 HydrophobicContact CG2-CD2 4.09Å
45	D	87.2	Confident	86.1	Confident	101 Å²	101	73.1 Å²	73.1	54%	0.54	37%	0.372	S	S	.	.			trans	-48.2	129.6	177.1	-164	-41.5	0	0	0	111.7	D47 L48	D45-D47 PolarHBondContact O-N 2.85Å; D45-D47 PolarHBondContact OD1-N 2.78Å; D45-D47 VanDerWaalsContact OD1-N 3.08Å; D45-L48 HydrophobicContact CB-CD1 4.27Å; D45-L48 HydrophobicContact CB-CG 4.28Å; D45-L48 WeakPolarHBondContact O-CA 3.36Å; D45-L48 WeakPolarHBondContact O-CB 3.4Å; D45-L48 PolarHBondContact O-N 3.45Å
46	D	84.4	Confident	86.7	Confident	128 Å²	128	72.2 Å²	72.2	68%	0.684	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-58.5	-31.7	-178.2	-74.5	-36.3	0	0	0	112.2	V44 L48 V49	V44-D46 PolarHBondContact O-N 2.99Å; D46-L48 PolarHBondContact O-N 2.68Å; D46-L48 VanDerWaalsContact O-N 3.16Å; D46-V49 WeakPolarHBondContact O-CB 3.35Å; D46-V49 PolarHBondContact O-N 3.35Å
47	D	86.1	Confident	87.2	Confident	146 Å²	146	71 Å²	71	78%	0.781	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-65.3	-16.5	175.2	-79.1	-15.5	0	0	0	112.3	D45	D45-D47 PolarHBondContact O-N 2.85Å; D45-D47 PolarHBondContact OD1-N 2.78Å; D45-D47 VanDerWaalsContact OD1-N 3.08Å
48	L	90.6	Very high	87.5	Confident	20 Å²	20	68.5 Å²	68.5	11%	0.105	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-100.2	3.9	175.6	-62.4	-179	0	0	0	113.2	V44 D45 D46 P56 L57 V103 L106 L107	V44-L48 HydrophobicContact CG1-CB 4.07Å; D45-L48 HydrophobicContact CB-CD1 4.27Å; D45-L48 HydrophobicContact CB-CG 4.28Å; D45-L48 WeakPolarHBondContact O-CA 3.36Å; D45-L48 WeakPolarHBondContact O-CB 3.4Å; D45-L48 PolarHBondContact O-N 3.45Å; D46-L48 PolarHBondContact O-N 2.68Å; D46-L48 VanDerWaalsContact O-N 3.16Å; L48-P56 WeakPolarHBondContact O-CA 3.27Å; L48-L57 VanDerWaalsContact O-CG 3.3Å; L48-L57 WeakPolarHBondContact O-CG 3.26Å; L48-L57 PolarHBondContact O-N 3.13Å; L48-V103 HydrophobicContact CD2-CG1 4.29Å; L48-L106 HydrophobicContact CD1-CB 4.02Å; L48-L106 HydrophobicContact CD2-CB 4.38Å; L48-L107 HydrophobicContact CB-CD2 3.84Å; L48-L107 HydrophobicContact CD1-CD2 4.39Å; L48-L107 HydrophobicContact CD2-CD2 4.24Å; L48-L107 HydrophobicContact CD2-CG 4.26Å; L48-L107 HydrophobicContact CG-CD2 4.39Å
49	V	91.6	Very high	87.7	Confident	27 Å²	27	72.4 Å²	72.4	16%	0.164	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130	-178.6	177.1	0	0	0	0	112.1	D46 H51	D46-V49 WeakPolarHBondContact O-CB 3.35Å; D46-V49 PolarHBondContact O-N 3.35Å; V49-H51 PolarHBondContact O-N 2.89Å; V49-H51 PolarHBondContact O-ND1 2.99Å
50	C	92	Very high	88.1	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	115.8	174.4	-178.4	0	0	0	0	111	I52 C53 L54 Q55 L57 C70	C50-I52 PolarHBondContact O-N 2.9Å; C50-C53 VanDerWaalsContact CB-SG 3.59Å; C50-C53 PolarHBondContact O-N 3.28Å; C50-L54 WeakPolarHBondContact O-CA 3.34Å; C50-L54 PolarHBondContact O-N 3.36Å; C50-Q55 WeakPolarHBondContact CB-O 3.45Å; C50-Q55 PolarHBondContact N-O 2.98Å; C50-L57 HydrophobicContact CB-CD2 3.74Å; C50-L57 HydrophobicContact CB-CG 4.34Å; C50-C70 WeakPolarHBondContact CB-SG 3.29Å; C50-C70 PolarHBondContact SG-N 3.29Å; C50-C70 VanDerWaalsContact SG-SG 3.61Å
51	H	87.1	Confident	88.3	Confident	106 Å²	106	67.6 Å²	67.6	49%	0.491	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-0.9	-177.9	-68.6	57.8	0	0	0	114.9	V49 F69 L86	V49-H51 PolarHBondContact O-N 2.89Å; V49-H51 PolarHBondContact O-ND1 2.99Å; H51-F69 HydrophobicContact CB-CE1 4.22Å; H51-L86 HydrophobicContact CB-CD1 4.13Å; H51-L86 HydrophobicContact CB-CD2 3.93Å; H51-L86 HydrophobicContact CB-CG 4.31Å
52	I	87.5	Confident	88.8	Confident	59 Å²	59	65.5 Å²	65.5	30%	0.303	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-43.2	173.2	-60.1	165.7	0	0	0	111.5	C50 F69 C73 F77 P85	C50-I52 PolarHBondContact O-N 2.9Å; I52-F69 HydrophobicContact CD1-CB 4.13Å; I52-F69 HydrophobicContact CD1-CD1 3.59Å; I52-F69 HydrophobicContact CD1-CE1 4.2Å; I52-F69 HydrophobicContact CD1-CG 3.99Å; I52-F69 HydrophobicContact CG1-CD1 3.69Å; I52-F69 HydrophobicContact CG1-CE1 4.02Å; I52-C73 HydrophobicContact CB-CB 3.86Å; I52-C73 HydrophobicContact CD1-CB 3.72Å; I52-C73 HydrophobicContact CG1-CB 4.41Å; I52-C73 HydrophobicContact CG2-CB 3.82Å; I52-F77 HydrophobicContact CD1-CB 4.46Å; I52-P85 HydrophobicContact CD1-CG 3.94Å; I52-P85 HydrophobicContact CG1-CB 4.37Å; I52-P85 HydrophobicContact CG1-CG 4.05Å
53	C	87.6	Confident	89.1	Confident	42 Å²	42	61.2 Å²	61.2	28%	0.284	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-1.6	-177.4	63.1	0	0	0	0	114.1	C50 Q55 C73	C50-C53 VanDerWaalsContact CB-SG 3.59Å; C50-C53 PolarHBondContact O-N 3.28Å; C53-Q55 WeakPolarHBondContact O-CG 3.36Å; C53-Q55 PolarHBondContact O-N 2.98Å; C53-C73 VanDerWaalsContact SG-SG 3.66Å
54	L	88.1	Confident	89.6	Confident	127 Å²	127	55.8 Å²	55.8	67%	0.665	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	41	-178.9	-51.6	-178.8	0	0	0	112.5	C50	C50-L54 WeakPolarHBondContact O-CA 3.34Å; C50-L54 PolarHBondContact O-N 3.36Å
55	Q	88.3	Confident	89.7	Confident	88 Å²	88	56 Å²	56	41%	0.411	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.8	178.9	-70.7	-65.2	-73.5	0	0	109.6	C50 C53	C50-Q55 WeakPolarHBondContact CB-O 3.45Å; C50-Q55 PolarHBondContact N-O 2.98Å; C53-Q55 WeakPolarHBondContact O-CG 3.36Å; C53-Q55 PolarHBondContact O-N 2.98Å
56	P	91.5	Very high	89.8	Confident	9 Å²	9	54.2 Å²	54.2	6%	0.058	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	139.9	176	-29	37.6	0	0	0	112.6	Y40 V44 L48 L58 L107 L110	Y40-P56 HydrophobicContact CD2-CG 3.89Å; Y40-P56 HydrophobicContact CE1-CB 4.32Å; Y40-P56 HydrophobicContact CE1-CG 4.28Å; Y40-P56 HydrophobicContact CE2-CB 3.97Å; Y40-P56 HydrophobicContact CE2-CG 3.51Å; Y40-P56 HydrophobicContact CG-CG 4.41Å; V44-P56 HydrophobicContact CB-CG 3.83Å; V44-P56 HydrophobicContact CG1-CB 4.07Å; V44-P56 HydrophobicContact CG1-CG 3.82Å; V44-P56 HydrophobicContact CG2-CG 3.7Å; L48-P56 WeakPolarHBondContact O-CA 3.27Å; P56-L58 PolarHBondContact O-N 2.86Å; P56-L107 HydrophobicContact CB-CD2 4.46Å; P56-L110 HydrophobicContact CB-CD1 4.01Å
57	L	92.8	Very high	90.1	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	28%	0.284	C	S	.	.			trans	-58.8	134.1	-169.8	-74.8	158.7	0	0	0	113.4	L48 C50 P60 T68 L107 R126	L48-L57 VanDerWaalsContact O-CG 3.3Å; L48-L57 WeakPolarHBondContact O-CG 3.26Å; L48-L57 PolarHBondContact O-N 3.13Å; C50-L57 HydrophobicContact CB-CD2 3.74Å; C50-L57 HydrophobicContact CB-CG 4.34Å; L57-P60 HydrophobicContact CB-CB 4.05Å; L57-P60 HydrophobicContact CD1-CB 4.26Å; L57-P60 HydrophobicContact CD2-CB 4.29Å; L57-P60 HydrophobicContact CG-CB 4.45Å; L57-T68 HydrophobicContact CD1-CG2 3.69Å; L57-T68 HydrophobicContact CD2-CG2 4.06Å; L57-L107 HydrophobicContact CB-CD1 3.7Å; L57-L107 HydrophobicContact CB-CD2 3.91Å; L57-L107 HydrophobicContact CB-CG 4.48Å; L57-R126 PolarHBondContact O-NH1 3.39Å
58	L	89.8	Confident	90.5	Very high	17 Å²	17	45.5 Å²	45.5	9%	0.089	26%	0.257	C	S	.	.	S	Bend	trans	-119.2	124	173.6	-56.2	-176.8	0	0	0	109.7	N35 H36 Y38 P56 C70 Y71	N35-L58 HydrophobicContact CB-CD1 3.63Å; H36-L58 HydrophobicContact CB-CD1 4.08Å; H36-L58 VanDerWaalsContact O-CD1 3.22Å; H36-L58 WeakPolarHBondContact O-CD1 3.34Å; Y38-L58 HydrophobicContact CD2-CD2 4.08Å; Y38-L58 HydrophobicContact CE2-CD1 4.47Å; Y38-L58 HydrophobicContact CE2-CD2 3.65Å; P56-L58 PolarHBondContact O-N 2.86Å; L58-C70 PolarHBondContact N-SG 3.47Å; L58-C70 WeakPolarHBondContact O-CA 3.37Å; L58-C70 VanDerWaalsContact O-CB 3.3Å; L58-C70 WeakPolarHBondContact O-CB 3.4Å; L58-Y71 PolarHBondContact O-N 2.68Å
59	Q	89.7	Confident	90.7	Very high	117 Å²	117	44.6 Å²	44.6	55%	0.547	25%	0.252	S	S	.	.	S	Bend	trans	47	61.7	-172.7	-62.1	177.1	-15.7	0	0	110.7	L61 Y71	Q59-L61 PolarHBondContact O-N 2.63Å; Q59-Y71 VanDerWaalsContact O-CB 3.31Å; Q59-Y71 WeakPolarHBondContact O-CB 3.22Å; Q59-Y71 PolarHBondContact O-N 3.3Å
60	P	94.4	Very high	90.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	134.9	-172.2	26.4	-36.5	0	0	0	112.3	L57 T68 F69 S99 V103 L107	L57-P60 HydrophobicContact CB-CB 4.05Å; L57-P60 HydrophobicContact CD1-CB 4.26Å; L57-P60 HydrophobicContact CD2-CB 4.29Å; L57-P60 HydrophobicContact CG-CB 4.45Å; P60-T68 HydrophobicContact CB-CG2 3.7Å; P60-F69 WeakPolarHBondContact CA-O 3.33Å; P60-S99 WeakPolarHBondContact CB-OG 3.38Å; P60-S99 PolarHBondContact O-N 3.35Å; P60-S99 PolarHBondContact O-OG 2.89Å; P60-S99 VanDerWaalsContact O-OG 3.13Å; P60-V103 HydrophobicContact CB-CG1 4.31Å; P60-V103 HydrophobicContact CG-CG1 4.04Å; P60-L107 HydrophobicContact CG-CD1 3.87Å
61	L	93	Very high	90.8	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.063	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.1	173.1	-70.8	-176.7	0	0	0	109.9	Q59 T68 F69 Y71 L74 F93 C96 K97 K98 S99	Q59-L61 PolarHBondContact O-N 2.63Å; L61-T68 WeakPolarHBondContact O-CA 3.44Å; L61-F69 PolarHBondContact N-O 2.8Å; L61-F69 PolarHBondContact O-N 3.12Å; L61-Y71 HydrophobicContact CD1-CD2 3.72Å; L61-Y71 HydrophobicContact CD1-CE2 4.46Å; L61-Y71 HydrophobicContact CD1-CG 4.33Å; L61-Y71 HydrophobicContact CD2-CD2 4.19Å; L61-Y71 HydrophobicContact CG-CD2 4.1Å; L61-L74 HydrophobicContact CB-CD2 4.17Å; L61-L74 HydrophobicContact CD1-CD2 4.16Å; L61-F93 HydrophobicContact CD1-CE2 3.76Å; L61-F93 HydrophobicContact CD1-CZ 4.04Å; L61-C96 HydrophobicContact CB-CB 4.5Å; L61-C96 HydrophobicContact CD1-CB 4.44Å; L61-K97 CarbonylContact C-O 3.59Å; L61-K97 VanDerWaalsContact CA-O 3.32Å; L61-K97 WeakPolarHBondContact CA-O 3.28Å; L61-K98 HydrophobicContact CD2-CG 4.39Å; L61-S99 PolarHBondContact N-OG 2.84Å
62	D	93.2	Very high	90.9	Very high	49 Å²	49	43.9 Å²	43.9	26%	0.262	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.4	171.6	-66.9	-13.7	0	0	0	109.5	T68 C96 K97 S99	D62-T68 WeakPolarHBondContact OD1-CB 3.16Å; D62-T68 VanDerWaalsContact OD1-CG2 3.27Å; D62-T68 WeakPolarHBondContact OD1-CG2 3.28Å; D62-T68 PolarHBondContact OD1-OG1 2.95Å; D62-C96 CarbonylContact O-C 3.52Å; D62-C96 WeakPolarHBondContact O-CA 3.3Å; D62-K97 PolarHBondContact N-O 3.19Å; D62-K97 PolarHBondContact O-N 3.38Å; D62-S99 PolarHBondContact N-OG 2.87Å; D62-S99 VanDerWaalsContact OD1-CB 3.22Å; D62-S99 WeakPolarHBondContact OD1-CB 3.48Å; D62-S99 PolarHBondContact OD1-OG 3.48Å; D62-S99 VanDerWaalsContact OD2-CA 3.26Å; D62-S99 WeakPolarHBondContact OD2-CA 3.34Å
63	T	91.9	Very high	91	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.043	24%	0.235	C	C	.	.			trans	-85.2	152.3	174.6	60.3	0	0	0	0	110.5	C65 G66 H67 F69 L74 L91	T63-C65 PolarHBondContact O-N 3.21Å; T63-C65 PolarHBondContact OG1-SG 3.41Å; T63-G66 PolarHBondContact O-N 3.24Å; T63-H67 WeakPolarHBondContact CB-O 3.15Å; T63-H67 WeakPolarHBondContact CG2-O 3.39Å; T63-H67 PolarHBondContact N-O 2.95Å; T63-H67 PolarHBondContact OG1-N 2.76Å; T63-H67 VanDerWaalsContact OG1-N 3.1Å; T63-H67 PolarHBondContact OG1-O 3.46Å; T63-F69 HydrophobicContact CG2-CD2 3.83Å; T63-F69 HydrophobicContact CG2-CE2 3.87Å; T63-L74 HydrophobicContact CG2-CD2 3.82Å; T63-L91 HydrophobicContact CG2-CD1 4.09Å; T63-L91 HydrophobicContact CG2-CD2 3.55Å; T63-L91 HydrophobicContact CG2-CG 4.49Å
64	P	88	Confident	91.1	Very high	87 Å²	87	39.8 Å²	39.8	57%	0.565	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.5	176.4	-24.9	34.9	0	0	0	114.9	L91 L95	P64-L91 VanDerWaalsContact CD-CD1 3.49Å; P64-L91 HydrophobicContact CG-CD1 4.38Å; P64-L95 HydrophobicContact CG-CB 3.7Å
65	C	89.4	Confident	91.2	Very high	31 Å²	31	39.5 Å²	39.5	21%	0.209	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.7	174.8	61	0	0	0	0	114.6	T63 H67 D87 K89	T63-C65 PolarHBondContact O-N 3.21Å; T63-C65 PolarHBondContact OG1-SG 3.41Å; C65-H67 PolarHBondContact SG-ND1 3.27Å; C65-H67 VanDerWaalsContact SG-ND1 3.37Å; C65-D87 VanDerWaalsContact CB-OD2 3.25Å; C65-D87 WeakPolarHBondContact CB-OD2 3.4Å; C65-D87 PolarHBondContact SG-OD1 3.1Å; C65-D87 VanDerWaalsContact SG-OD1 3.39Å; C65-K89 HydrophobicContact CB-CB 4.44Å; C65-K89 HydrophobicContact CB-CD 3.89Å
66	G	88	Confident	91.2	Very high	63 Å²	63	39 Å²	39	65%	0.649	21%	0.212	S	C	*	.	S	Bend	trans	97.7	3.5	172.7	0	0	0	0	0	115.8	T63	T63-G66 PolarHBondContact O-N 3.24Å
67	H	92.2	Very high	91.1	Very high	55 Å²	55	40.9 Å²	40.9	26%	0.255	22%	0.219	S	C	.	.			trans	-98.8	145.1	-179.5	-58.6	99.3	0	0	0	112.5	T63 C65 F69 L86 D87	T63-H67 WeakPolarHBondContact CB-O 3.15Å; T63-H67 WeakPolarHBondContact CG2-O 3.39Å; T63-H67 PolarHBondContact N-O 2.95Å; T63-H67 PolarHBondContact OG1-N 2.76Å; T63-H67 VanDerWaalsContact OG1-N 3.1Å; T63-H67 PolarHBondContact OG1-O 3.46Å; C65-H67 PolarHBondContact SG-ND1 3.27Å; C65-H67 VanDerWaalsContact SG-ND1 3.37Å; H67-F69 HydrophobicContact CB-CE2 3.63Å; H67-F69 HydrophobicContact CB-CZ 3.92Å; H67-L86 HydrophobicContact CB-CD1 4.02Å; H67-L86 WeakPolarHBondContact CD2-CD1 3.35Å; H67-D87 VanDerWaalsContact CE1-CG 3.49Å; H67-D87 IonicContact CE1-OD2 3.77Å; H67-D87 PolarHBondContact CE1-OD2 3.32Å; H67-D87 IonicContact ND1-OD2 3.71Å
68	T	93.6	Very high	90.9	Very high	37 Å²	37	42.2 Å²	42.2	23%	0.227	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.6	-176.8	-51.8	0	0	0	0	111.8	L57 P60 L61 D62 S99	L57-T68 HydrophobicContact CD1-CG2 3.69Å; L57-T68 HydrophobicContact CD2-CG2 4.06Å; P60-T68 HydrophobicContact CB-CG2 3.7Å; L61-T68 WeakPolarHBondContact O-CA 3.44Å; D62-T68 WeakPolarHBondContact OD1-CB 3.16Å; D62-T68 VanDerWaalsContact OD1-CG2 3.27Å; D62-T68 WeakPolarHBondContact OD1-CG2 3.28Å; D62-T68 PolarHBondContact OD1-OG1 2.95Å; T68-S99 VanDerWaalsContact CG2-OG 3.31Å; T68-S99 WeakPolarHBondContact CG2-OG 3.23Å
69	F	94.3	Very high	90.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.9	-178.7	-56.9	-81.6	0	0	0	111.8	H51 I52 P60 L61 T63 H67 L74 P85 L86	H51-F69 HydrophobicContact CB-CE1 4.22Å; I52-F69 HydrophobicContact CD1-CB 4.13Å; I52-F69 HydrophobicContact CD1-CD1 3.59Å; I52-F69 HydrophobicContact CD1-CE1 4.2Å; I52-F69 HydrophobicContact CD1-CG 3.99Å; I52-F69 HydrophobicContact CG1-CD1 3.69Å; I52-F69 HydrophobicContact CG1-CE1 4.02Å; P60-F69 WeakPolarHBondContact CA-O 3.33Å; L61-F69 PolarHBondContact N-O 2.8Å; L61-F69 PolarHBondContact O-N 3.12Å; T63-F69 HydrophobicContact CG2-CD2 3.83Å; T63-F69 HydrophobicContact CG2-CE2 3.87Å; H67-F69 HydrophobicContact CB-CE2 3.63Å; H67-F69 HydrophobicContact CB-CZ 3.92Å; F69-L74 HydrophobicContact CB-CB 4Å; F69-L74 HydrophobicContact CB-CD2 4.48Å; F69-L74 HydrophobicContact CD2-CD1 3.92Å; F69-L74 HydrophobicContact CD2-CD2 4.27Å; F69-L74 HydrophobicContact CE2-CD1 4.43Å; F69-L74 HydrophobicContact CG-CD1 4.35Å; F69-P85 HydrophobicContact CE1-CB 4.07Å; F69-P85 HydrophobicContact CE1-CG 3.99Å; F69-P85 HydrophobicContact CE2-CG 4.44Å; F69-P85 HydrophobicContact CZ-CB 4.05Å; F69-P85 HydrophobicContact CZ-CG 3.89Å; F69-L86 HydrophobicContact CE1-CD1 3.94Å; F69-L86 HydrophobicContact CE1-CG 4.07Å; F69-L86 HydrophobicContact CZ-CB 4.42Å; F69-L86 HydrophobicContact CZ-CD1 3.74Å; F69-L86 HydrophobicContact CZ-CG 3.84Å
70	C	93.9	Very high	90.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	140.8	171.2	-57.8	0	0	0	0	111.1	C50 L58 K72 C73 L74	C50-C70 WeakPolarHBondContact CB-SG 3.29Å; C50-C70 PolarHBondContact SG-N 3.29Å; C50-C70 VanDerWaalsContact SG-SG 3.61Å; L58-C70 PolarHBondContact N-SG 3.47Å; L58-C70 WeakPolarHBondContact O-CA 3.37Å; L58-C70 VanDerWaalsContact O-CB 3.3Å; L58-C70 WeakPolarHBondContact O-CB 3.4Å; C70-K72 PolarHBondContact O-N 2.92Å; C70-C73 HydrophobicContact CB-CB 3.99Å; C70-C73 PolarHBondContact O-N 3.05Å; C70-C73 VanDerWaalsContact O-N 3.13Å; C70-L74 PolarHBondContact O-N 2.97Å
71	Y	92.7	Very high	90.2	Very high	74 Å²	74	55 Å²	55	29%	0.29	28%	0.283	S	S	.	.	H	α-helix	trans	-48.9	-52.9	178.6	178.1	-86.9	0	0	0	113.1	L58 Q59 L61 R75 F93	L58-Y71 PolarHBondContact O-N 2.68Å; Q59-Y71 VanDerWaalsContact O-CB 3.31Å; Q59-Y71 WeakPolarHBondContact O-CB 3.22Å; Q59-Y71 PolarHBondContact O-N 3.3Å; L61-Y71 HydrophobicContact CD1-CD2 3.72Å; L61-Y71 HydrophobicContact CD1-CE2 4.46Å; L61-Y71 HydrophobicContact CD1-CG 4.33Å; L61-Y71 HydrophobicContact CD2-CD2 4.19Å; L61-Y71 HydrophobicContact CG-CD2 4.1Å; Y71-R75 WeakPolarHBondContact O-CB 3.37Å; Y71-R75 PolarHBondContact O-N 2.93Å; Y71-F93 HydrophobicContact CD2-CZ 4.14Å; Y71-F93 HydrophobicContact CE2-CE1 4.26Å; Y71-F93 AromaticContact CE2-CZ 3.59Å; Y71-F93 HydrophobicContact CE2-CZ 3.59Å; Y71-F93 AromaticContact CZ-CZ 3.86Å
72	K	88.4	Confident	90	Very high	44 Å²	44	58.2 Å²	58.2	19%	0.191	30%	0.301	C	S	.	.	H	α-helix	trans	-66	-40.5	-178.5	-57.6	-171.9	-171.6	-178.8	0	111.8	T32 E34 N35 C70 R75 N76	T32-K72 PolarHBondContact O-NZ 2.78Å; T32-K72 VanDerWaalsContact O-NZ 3.09Å; E34-K72 WeakPolarHBondContact O-CD 3.46Å; E34-K72 PolarHBondContact O-NZ 3.42Å; N35-K72 WeakPolarHBondContact OD1-CB 3.38Å; C70-K72 PolarHBondContact O-N 2.92Å; K72-R75 PolarHBondContact O-N 3.11Å; K72-N76 WeakPolarHBondContact O-CB 3.31Å; K72-N76 PolarHBondContact O-N 3.42Å; K72-N76 PolarHBondContact O-OD1 2.96Å
73	C	90.1	Very high	89.9	Confident	16 Å²	16	59 Å²	59	11%	0.108	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-49.5	179	-66	0	0	0	0	112.1	N35 I52 C53 C70 N76 F77	N35-C73 PolarHBondContact ND2-SG 2.97Å; I52-C73 HydrophobicContact CB-CB 3.86Å; I52-C73 HydrophobicContact CD1-CB 3.72Å; I52-C73 HydrophobicContact CG1-CB 4.41Å; I52-C73 HydrophobicContact CG2-CB 3.82Å; C53-C73 VanDerWaalsContact SG-SG 3.66Å; C70-C73 HydrophobicContact CB-CB 3.99Å; C70-C73 PolarHBondContact O-N 3.05Å; C70-C73 VanDerWaalsContact O-N 3.13Å; C73-N76 PolarHBondContact O-N 2.86Å; C73-F77 WeakPolarHBondContact O-CB 3.44Å; C73-F77 PolarHBondContact O-N 2.86Å
74	L	90.6	Very high	89.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-68.5	-37.9	179.8	-171.8	61.4	0	0	0	111.6	L61 T63 F69 C70 F77 L78 L91 C96	L61-L74 HydrophobicContact CB-CD2 4.17Å; L61-L74 HydrophobicContact CD1-CD2 4.16Å; T63-L74 HydrophobicContact CG2-CD2 3.82Å; F69-L74 HydrophobicContact CB-CB 4Å; F69-L74 HydrophobicContact CB-CD2 4.48Å; F69-L74 HydrophobicContact CD2-CD1 3.92Å; F69-L74 HydrophobicContact CD2-CD2 4.27Å; F69-L74 HydrophobicContact CE2-CD1 4.43Å; F69-L74 HydrophobicContact CG-CD1 4.35Å; C70-L74 PolarHBondContact O-N 2.97Å; L74-F77 PolarHBondContact O-N 2.87Å; L74-L78 HydrophobicContact CD1-CD1 3.95Å; L74-L78 HydrophobicContact CD1-CG 4.04Å; L74-L78 HydrophobicContact CG-CD1 3.92Å; L74-L78 HydrophobicContact CG-CG 4.32Å; L74-L78 WeakPolarHBondContact O-CB 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.38Å; L74-L78 PolarHBondContact O-N 3.34Å; L74-L91 HydrophobicContact CD1-CD2 4Å; L74-C96 HydrophobicContact CD2-CB 4.38Å
75	R	90.1	Very high	89.8	Confident	121 Å²	121	56.2 Å²	56.2	46%	0.457	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-45.9	175.5	-175.8	177.8	175.7	-176.9	-2.1	111.9	Y71 K72 Q79 F93	Y71-R75 WeakPolarHBondContact O-CB 3.37Å; Y71-R75 PolarHBondContact O-N 2.93Å; K72-R75 PolarHBondContact O-N 3.11Å; R75-Q79 WeakPolarHBondContact O-CG 2.99Å; R75-Q79 PolarHBondContact O-N 2.67Å; R75-F93 HydrophobicContact CB-CD2 4.36Å; R75-F93 HydrophobicContact CB-CE2 3.64Å; R75-F93 HydrophobicContact CB-CZ 4.03Å; R75-F93 HydrophobicContact CG-CE2 4.17Å; R75-F93 HydrophobicContact CG-CZ 4.23Å
76	N	88.1	Confident	89.7	Confident	78 Å²	78	58.2 Å²	58.2	42%	0.417	29%	0.292	S	S	.	.	H	α-helix	trans	-69.4	-41.1	179.6	-66	-3.4	0	0	0	111.1	K72 C73 L78 Q79	K72-N76 WeakPolarHBondContact O-CB 3.31Å; K72-N76 PolarHBondContact O-N 3.42Å; K72-N76 PolarHBondContact O-OD1 2.96Å; C73-N76 PolarHBondContact O-N 2.86Å; N76-L78 PolarHBondContact O-N 2.61Å; N76-Q79 WeakPolarHBondContact O-CB 3.34Å; N76-Q79 PolarHBondContact O-N 3.47Å
77	F	88.1	Confident	89.8	Confident	48 Å²	48	57.2 Å²	57.2	21%	0.211	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-44	176.6	-170.8	-84.7	0	0	0	112.2	I52 C73 L74 Q79 E80 K81 F83 P85	I52-F77 HydrophobicContact CD1-CB 4.46Å; C73-F77 WeakPolarHBondContact O-CB 3.44Å; C73-F77 PolarHBondContact O-N 2.86Å; L74-F77 PolarHBondContact O-N 2.87Å; F77-Q79 PolarHBondContact O-N 3.08Å; F77-E80 PolarHBondContact O-N 3.2Å; F77-E80 VanDerWaalsContact O-N 3.16Å; F77-K81 HydrophobicContact CD1-CB 4.31Å; F77-K81 HydrophobicContact CE1-CB 3.84Å; F77-K81 HydrophobicContact CE1-CD 4.2Å; F77-K81 HydrophobicContact CE2-CD 4.27Å; F77-K81 HydrophobicContact CZ-CB 4.34Å; F77-K81 HydrophobicContact CZ-CD 3.82Å; F77-K81 PolarHBondContact O-N 3.25Å; F77-K81 VanDerWaalsContact O-N 3.13Å; F77-F83 HydrophobicContact CE1-CD2 4.29Å; F77-F83 HydrophobicContact CE1-CE2 4.23Å; F77-F83 VanDerWaalsContact CE1-O 3.32Å; F77-F83 WeakPolarHBondContact CE1-O 3.31Å; F77-F83 HydrophobicContact CZ-CD2 4.48Å; F77-F83 HydrophobicContact CZ-CE2 4.02Å; F77-P85 HydrophobicContact CD1-CG 3.83Å; F77-P85 HydrophobicContact CD2-CG 4.17Å; F77-P85 HydrophobicContact CE1-CB 4.42Å; F77-P85 HydrophobicContact CE1-CG 3.8Å; F77-P85 HydrophobicContact CE2-CB 4.28Å; F77-P85 HydrophobicContact CE2-CG 4.13Å; F77-P85 HydrophobicContact CG-CG 4.02Å; F77-P85 HydrophobicContact CZ-CB 4.12Å; F77-P85 HydrophobicContact CZ-CG 3.94Å
78	L	89.4	Confident	89.7	Confident	30 Å²	30	64 Å²	64	16%	0.157	30%	0.296	C	S	.	.	H	α-helix	trans	-75.8	0.4	179.7	-65.5	-178.5	0	0	0	114.4	L74 N76 K81 L91 F93	L74-L78 HydrophobicContact CD1-CD1 3.95Å; L74-L78 HydrophobicContact CD1-CG 4.04Å; L74-L78 HydrophobicContact CG-CD1 3.92Å; L74-L78 HydrophobicContact CG-CG 4.32Å; L74-L78 WeakPolarHBondContact O-CB 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.38Å; L74-L78 PolarHBondContact O-N 3.34Å; N76-L78 PolarHBondContact O-N 2.61Å; L78-K81 WeakPolarHBondContact CA-O 3.36Å; L78-K81 WeakPolarHBondContact CD2-O 3.29Å; L78-L91 HydrophobicContact CD1-CD2 3.98Å; L78-L91 HydrophobicContact CD1-CG 3.94Å; L78-L91 HydrophobicContact CD2-CB 4.28Å; L78-L91 HydrophobicContact CD2-CD2 4.16Å; L78-L91 HydrophobicContact CD2-CG 4.23Å; L78-F93 HydrophobicContact CD1-CB 4.03Å; L78-F93 HydrophobicContact CD1-CD2 4.17Å
79	Q	86.9	Confident	89.3	Confident	140 Å²	140	68 Å²	68	65%	0.654	31%	0.31	S	S	*	.	H	α-helix	trans	-78.2	-26.3	165.7	-77.3	172.6	-23.8	0	0	112.4	R75 N76 F77	R75-Q79 WeakPolarHBondContact O-CG 2.99Å; R75-Q79 PolarHBondContact O-N 2.67Å; N76-Q79 WeakPolarHBondContact O-CB 3.34Å; N76-Q79 PolarHBondContact O-N 3.47Å; F77-Q79 PolarHBondContact O-N 3.08Å
80	E	86	Confident	89	Confident	167 Å²	167	78.2 Å²	78.2	78%	0.78	35%	0.348	S	S	*	.	H	α-helix	trans	-107	-26.3	-177.8	-64.8	-176.6	-179.8	0	0	113.5	F77	F77-E80 PolarHBondContact O-N 3.2Å; F77-E80 VanDerWaalsContact O-N 3.16Å
81	K	86.7	Confident	88.8	Confident	95 Å²	95	78.7 Å²	78.7	41%	0.413	35%	0.351	S	S	.	.			trans	-140.8	133.6	-169.8	-57	-176.9	-172.7	177	0	111.3	F77 L78 F83	F77-K81 HydrophobicContact CD1-CB 4.31Å; F77-K81 HydrophobicContact CE1-CB 3.84Å; F77-K81 HydrophobicContact CE1-CD 4.2Å; F77-K81 HydrophobicContact CE2-CD 4.27Å; F77-K81 HydrophobicContact CZ-CB 4.34Å; F77-K81 HydrophobicContact CZ-CD 3.82Å; F77-K81 PolarHBondContact O-N 3.25Å; F77-K81 VanDerWaalsContact O-N 3.13Å; L78-K81 WeakPolarHBondContact CA-O 3.36Å; L78-K81 WeakPolarHBondContact CD2-O 3.29Å; K81-F83 VanDerWaalsContact C-N 3.34Å; K81-F83 HydrophobicContact CB-CD1 4.12Å; K81-F83 HydrophobicContact CB-CE1 3.83Å; K81-F83 HydrophobicContact CB-CZ 4.14Å; K81-F83 HydrophobicContact CD-CE1 4.14Å; K81-F83 HydrophobicContact CD-CE2 4.44Å; K81-F83 HydrophobicContact CD-CZ 3.75Å; K81-F83 HydrophobicContact CG-CE1 4.26Å; K81-F83 HydrophobicContact CG-CZ 4.36Å; K81-F83 PolarHBondContact O-N 2.77Å
82	D	89	Confident	88.6	Confident	80 Å²	80	80.4 Å²	80.4	43%	0.428	36%	0.361	S	S	.	.	S	Bend	trans	-94	33.1	-175.9	75.3	-34	0	0	0	114.2	R90 L91	D82-R90 CarbonylContact O-C 3.55Å; D82-R90 WeakPolarHBondContact O-CA 3.39Å; D82-R90 VanDerWaalsContact O-CG 3.32Å; D82-R90 WeakPolarHBondContact O-CG 3.33Å; D82-R90 IonicContact OD2-CZ 2.78Å; D82-R90 VanDerWaalsContact OD2-CZ 3.31Å; D82-R90 IonicContact OD2-NE 3.82Å; D82-R90 PolarHBondContact OD2-NE 2.66Å; D82-R90 IonicContact OD2-NH2 3.69Å; D82-R90 PolarHBondContact OD2-NH2 2.92Å; D82-L91 CarbonylContact C-O 3.56Å; D82-L91 PolarHBondContact O-N 3.24Å
83	F	90.8	Very high	88.4	Confident	66 Å²	66	81.3 Å²	81.3	29%	0.289	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-139.2	160.3	-177.2	60.7	-100.7	0	0	0	113.7	F77 K81 R88 K89	F77-F83 HydrophobicContact CE1-CD2 4.29Å; F77-F83 HydrophobicContact CE1-CE2 4.23Å; F77-F83 VanDerWaalsContact CE1-O 3.32Å; F77-F83 WeakPolarHBondContact CE1-O 3.31Å; F77-F83 HydrophobicContact CZ-CD2 4.48Å; F77-F83 HydrophobicContact CZ-CE2 4.02Å; K81-F83 VanDerWaalsContact C-N 3.34Å; K81-F83 HydrophobicContact CB-CD1 4.12Å; K81-F83 HydrophobicContact CB-CE1 3.83Å; K81-F83 HydrophobicContact CB-CZ 4.14Å; K81-F83 HydrophobicContact CD-CE1 4.14Å; K81-F83 HydrophobicContact CD-CE2 4.44Å; K81-F83 HydrophobicContact CD-CZ 3.75Å; K81-F83 HydrophobicContact CG-CE1 4.26Å; K81-F83 HydrophobicContact CG-CZ 4.36Å; K81-F83 PolarHBondContact O-N 2.77Å; F83-R88 HydrophobicContact CD2-CB 4.29Å; F83-R88 HydrophobicContact CD2-CG 4.31Å; F83-R88 HydrophobicContact CE2-CG 4.38Å; F83-K89 CarbonylContact C-O 3.46Å; F83-K89 VanDerWaalsContact CA-O 3.3Å; F83-K89 WeakPolarHBondContact CA-O 3.4Å
84	C	89.9	Confident	88.2	Confident	0 Å²	0	89.3 Å²	89.3	0%	0	40%	0.398	C	S	.	.			trans	-69.4	131.2	176	179.1	0	0	0	0	111.3	L86 D87 R88 K89 L91	C84-L86 PolarHBondContact O-N 3.48Å; C84-L86 VanDerWaalsContact O-N 3.15Å; C84-D87 WeakPolarHBondContact CB-OD1 3.32Å; C84-D87 PolarHBondContact SG-OD1 2.91Å; C84-R88 WeakPolarHBondContact O-CA 3.44Å; C84-R88 PolarHBondContact O-N 3.5Å; C84-K89 PolarHBondContact N-O 3.4Å; C84-L91 HydrophobicContact CB-CB 4.46Å; C84-L91 HydrophobicContact CB-CD2 4.01Å
85	P	88.3	Confident	88	Confident	35 Å²	35	94.6 Å²	94.6	23%	0.227	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.6	179.1	-25.9	31.4	0	0	0	115.4	I52 F69 F77	I52-P85 HydrophobicContact CD1-CG 3.94Å; I52-P85 HydrophobicContact CG1-CB 4.37Å; I52-P85 HydrophobicContact CG1-CG 4.05Å; F69-P85 HydrophobicContact CE1-CB 4.07Å; F69-P85 HydrophobicContact CE1-CG 3.99Å; F69-P85 HydrophobicContact CE2-CG 4.44Å; F69-P85 HydrophobicContact CZ-CB 4.05Å; F69-P85 HydrophobicContact CZ-CG 3.89Å; F77-P85 HydrophobicContact CD1-CG 3.83Å; F77-P85 HydrophobicContact CD2-CG 4.17Å; F77-P85 HydrophobicContact CE1-CB 4.42Å; F77-P85 HydrophobicContact CE1-CG 3.8Å; F77-P85 HydrophobicContact CE2-CB 4.28Å; F77-P85 HydrophobicContact CE2-CG 4.13Å; F77-P85 HydrophobicContact CG-CG 4.02Å; F77-P85 HydrophobicContact CZ-CB 4.12Å; F77-P85 HydrophobicContact CZ-CG 3.94Å
86	L	87.3	Confident	88	Confident	73 Å²	73	89.7 Å²	89.7	38%	0.382	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-58	-173.2	-72	172	0	0	0	113	H51 H67 F69 C84	H51-L86 HydrophobicContact CB-CD1 4.13Å; H51-L86 HydrophobicContact CB-CD2 3.93Å; H51-L86 HydrophobicContact CB-CG 4.31Å; H67-L86 HydrophobicContact CB-CD1 4.02Å; H67-L86 WeakPolarHBondContact CD2-CD1 3.35Å; F69-L86 HydrophobicContact CE1-CD1 3.94Å; F69-L86 HydrophobicContact CE1-CG 4.07Å; F69-L86 HydrophobicContact CZ-CB 4.42Å; F69-L86 HydrophobicContact CZ-CD1 3.74Å; F69-L86 HydrophobicContact CZ-CG 3.84Å; C84-L86 PolarHBondContact O-N 3.48Å; C84-L86 VanDerWaalsContact O-N 3.15Å
87	D	90.1	Very high	88.1	Confident	43 Å²	43	93.7 Å²	93.7	23%	0.23	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	2.2	-175.2	71.9	-3.8	0	0	0	114.8	C65 H67 C84 K89	C65-D87 VanDerWaalsContact CB-OD2 3.25Å; C65-D87 WeakPolarHBondContact CB-OD2 3.4Å; C65-D87 PolarHBondContact SG-OD1 3.1Å; C65-D87 VanDerWaalsContact SG-OD1 3.39Å; H67-D87 VanDerWaalsContact CE1-CG 3.49Å; H67-D87 IonicContact CE1-OD2 3.77Å; H67-D87 PolarHBondContact CE1-OD2 3.32Å; H67-D87 IonicContact ND1-OD2 3.71Å; C84-D87 WeakPolarHBondContact CB-OD1 3.32Å; C84-D87 PolarHBondContact SG-OD1 2.91Å; D87-K89 HydrophobicContact CB-CG 4.49Å; D87-K89 PolarHBondContact O-N 3.45Å; D87-K89 WeakPolarHBondContact OD1-CB 3.24Å; D87-K89 PolarHBondContact OD1-N 2.89Å; D87-K89 WeakPolarHBondContact OD2-CD 3.35Å; D87-K89 WeakPolarHBondContact OD2-CE 3.3Å; D87-K89 WeakPolarHBondContact OD2-CG 3.49Å; D87-K89 IonicContact OD2-NZ 2.74Å; D87-K89 PolarHBondContact OD2-NZ 3.02Å
88	R	88.6	Confident	88.2	Confident	198 Å²	198	99.9 Å²	99.9	75%	0.747	45%	0.451	S	S	*	.			trans	55.4	15.6	179.6	-54.7	-179.7	-176.5	174.2	0.9	114.8	F83 C84	F83-R88 HydrophobicContact CD2-CB 4.29Å; F83-R88 HydrophobicContact CD2-CG 4.31Å; F83-R88 HydrophobicContact CE2-CG 4.38Å; C84-R88 WeakPolarHBondContact O-CA 3.44Å; C84-R88 PolarHBondContact O-N 3.5Å
89	K	86.7	Confident	88.3	Confident	120 Å²	120	98.8 Å²	98.8	52%	0.522	45%	0.445	S	S	.	.			trans	-67.9	143.6	171.3	-66.7	-176.5	-166	125.5	0	109.7	C65 F83 C84 D87 L91	C65-K89 HydrophobicContact CB-CB 4.44Å; C65-K89 HydrophobicContact CB-CD 3.89Å; F83-K89 CarbonylContact C-O 3.46Å; F83-K89 VanDerWaalsContact CA-O 3.3Å; F83-K89 WeakPolarHBondContact CA-O 3.4Å; C84-K89 PolarHBondContact N-O 3.4Å; D87-K89 HydrophobicContact CB-CG 4.49Å; D87-K89 PolarHBondContact O-N 3.45Å; D87-K89 WeakPolarHBondContact OD1-CB 3.24Å; D87-K89 PolarHBondContact OD1-N 2.89Å; D87-K89 WeakPolarHBondContact OD2-CD 3.35Å; D87-K89 WeakPolarHBondContact OD2-CE 3.3Å; D87-K89 WeakPolarHBondContact OD2-CG 3.49Å; D87-K89 IonicContact OD2-NZ 2.74Å; D87-K89 PolarHBondContact OD2-NZ 3.02Å; K89-L91 PolarHBondContact O-N 3.14Å
90	R	87.8	Confident	88.4	Confident	214 Å²	214	95 Å²	95	81%	0.808	43%	0.434	S	S	*	.	B	Isolated β-bridge	trans	-59	130.6	-179.6	-158.1	177.9	-166.7	-169.5	2.1	110.7	D82	D82-R90 CarbonylContact O-C 3.55Å; D82-R90 WeakPolarHBondContact O-CA 3.39Å; D82-R90 VanDerWaalsContact O-CG 3.32Å; D82-R90 WeakPolarHBondContact O-CG 3.33Å; D82-R90 IonicContact OD2-CZ 2.78Å; D82-R90 VanDerWaalsContact OD2-CZ 3.31Å; D82-R90 IonicContact OD2-NE 3.82Å; D82-R90 PolarHBondContact OD2-NE 2.66Å; D82-R90 IonicContact OD2-NH2 3.69Å; D82-R90 PolarHBondContact OD2-NH2 2.92Å
91	L	89.6	Confident	88.4	Confident	10 Å²	10	92.6 Å²	92.6	5%	0.052	43%	0.426	C	S	.	.			trans	-139.8	128.3	-167.7	-178	61.5	0	0	0	110.6	T63 P64 L74 L78 D82 C84 K89	T63-L91 HydrophobicContact CG2-CD1 4.09Å; T63-L91 HydrophobicContact CG2-CD2 3.55Å; T63-L91 HydrophobicContact CG2-CG 4.49Å; P64-L91 VanDerWaalsContact CD-CD1 3.49Å; P64-L91 HydrophobicContact CG-CD1 4.38Å; L74-L91 HydrophobicContact CD1-CD2 4Å; L78-L91 HydrophobicContact CD1-CD2 3.98Å; L78-L91 HydrophobicContact CD1-CG 3.94Å; L78-L91 HydrophobicContact CD2-CB 4.28Å; L78-L91 HydrophobicContact CD2-CD2 4.16Å; L78-L91 HydrophobicContact CD2-CG 4.23Å; D82-L91 CarbonylContact C-O 3.56Å; D82-L91 PolarHBondContact O-N 3.24Å; C84-L91 HydrophobicContact CB-CB 4.46Å; C84-L91 HydrophobicContact CB-CD2 4.01Å; K89-L91 PolarHBondContact O-N 3.14Å
92	H	87.3	Confident	88.5	Confident	110 Å²	110	93.4 Å²	93.4	51%	0.509	43%	0.434	S	S	.	.			trans	-120.3	130.6	176.4	-172.9	-95.3	0	0	0	110.2	K94 L95	H92-K94 PolarHBondContact O-N 3.24Å; H92-L95 HydrophobicContact CB-CD1 4.34Å; H92-L95 WeakPolarHBondContact O-CB 3.4Å; H92-L95 PolarHBondContact O-N 2.72Å
93	F	86.1	Confident	88.4	Confident	63 Å²	63	91 Å²	91	28%	0.276	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-55.2	-33.5	-169.5	-172	-97.2	0	0	0	114.1	L61 Y71 R75 L78 L95 C96	L61-F93 HydrophobicContact CD1-CE2 3.76Å; L61-F93 HydrophobicContact CD1-CZ 4.04Å; Y71-F93 HydrophobicContact CD2-CZ 4.14Å; Y71-F93 HydrophobicContact CE2-CE1 4.26Å; Y71-F93 AromaticContact CE2-CZ 3.59Å; Y71-F93 HydrophobicContact CE2-CZ 3.59Å; Y71-F93 AromaticContact CZ-CZ 3.86Å; R75-F93 HydrophobicContact CB-CD2 4.36Å; R75-F93 HydrophobicContact CB-CE2 3.64Å; R75-F93 HydrophobicContact CB-CZ 4.03Å; R75-F93 HydrophobicContact CG-CE2 4.17Å; R75-F93 HydrophobicContact CG-CZ 4.23Å; L78-F93 HydrophobicContact CD1-CB 4.03Å; L78-F93 HydrophobicContact CD1-CD2 4.17Å; F93-L95 PolarHBondContact O-N 3.5Å; F93-C96 WeakPolarHBondContact O-CB 3.47Å; F93-C96 PolarHBondContact O-N 2.68Å
94	K	85.2	Confident	88.3	Confident	184 Å²	184	90.4 Å²	90.4	80%	0.8	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-65.1	-16.5	176.8	-64.5	-174.9	-177.4	180	0	114.7	H92	H92-K94 PolarHBondContact O-N 3.24Å
95	L	86.6	Confident	88.1	Confident	112 Å²	112	96.2 Å²	96.2	59%	0.586	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-92.7	-12.8	179.1	-59.6	175.9	0	0	0	112.6	P64 H92 F93	P64-L95 HydrophobicContact CG-CB 3.7Å; H92-L95 HydrophobicContact CB-CD1 4.34Å; H92-L95 WeakPolarHBondContact O-CB 3.4Å; H92-L95 PolarHBondContact O-N 2.72Å; F93-L95 PolarHBondContact O-N 3.5Å
96	C	89.4	Confident	88.2	Confident	18 Å²	18	98.2 Å²	98.2	12%	0.122	45%	0.454	C	S	.	.			trans	-72.7	135.4	175.8	-54.8	0	0	0	0	110	L61 D62 L74 F93	L61-C96 HydrophobicContact CB-CB 4.5Å; L61-C96 HydrophobicContact CD1-CB 4.44Å; D62-C96 CarbonylContact O-C 3.52Å; D62-C96 WeakPolarHBondContact O-CA 3.3Å; L74-C96 HydrophobicContact CD2-CB 4.38Å; F93-C96 WeakPolarHBondContact O-CB 3.47Å; F93-C96 PolarHBondContact O-N 2.68Å
97	K	90.9	Very high	88.3	Confident	161 Å²	161	94.8 Å²	94.8	70%	0.7	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	156.3	177.7	-64.4	-174.2	178.9	-174.4	0	109.7	L61 D62	L61-K97 CarbonylContact C-O 3.59Å; L61-K97 VanDerWaalsContact CA-O 3.32Å; L61-K97 WeakPolarHBondContact CA-O 3.28Å; D62-K97 PolarHBondContact N-O 3.19Å; D62-K97 PolarHBondContact O-N 3.38Å
98	K	90.5	Very high	88.3	Confident	179 Å²	179	95.3 Å²	95.3	78%	0.778	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	137.5	166.5	-66.9	-176.6	-179.9	-179.6	0	108.5	L61	L61-K98 HydrophobicContact CD2-CG 4.39Å
99	S	90.4	Very high	88.4	Confident	7 Å²	7	92.2 Å²	92.2	5%	0.049	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-66	161.6	-179	-50.9	0	0	0	0	112.7	P60 L61 D62 T68 H104	P60-S99 WeakPolarHBondContact CB-OG 3.38Å; P60-S99 PolarHBondContact O-N 3.35Å; P60-S99 PolarHBondContact O-OG 2.89Å; P60-S99 VanDerWaalsContact O-OG 3.13Å; L61-S99 PolarHBondContact N-OG 2.84Å; D62-S99 PolarHBondContact N-OG 2.87Å; D62-S99 VanDerWaalsContact OD1-CB 3.22Å; D62-S99 WeakPolarHBondContact OD1-CB 3.48Å; D62-S99 PolarHBondContact OD1-OG 3.48Å; D62-S99 VanDerWaalsContact OD2-CA 3.26Å; D62-S99 WeakPolarHBondContact OD2-CA 3.34Å; T68-S99 VanDerWaalsContact CG2-OG 3.31Å; T68-S99 WeakPolarHBondContact CG2-OG 3.23Å; S99-H104 PolarHBondContact O-CE1 3.08Å; S99-H104 PolarHBondContact O-ND1 2.98Å
100	S	90.3	Very high	88.6	Confident	59 Å²	59	87.9 Å²	87.9	41%	0.413	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-54.1	153.5	-176.5	78.1	0	0	0	0	113.2	L102 V103 H104	S100-L102 PolarHBondContact O-N 2.94Å; S100-L102 VanDerWaalsContact O-N 3.16Å; S100-V103 PolarHBondContact O-N 3.09Å; S100-V103 VanDerWaalsContact O-N 3.15Å; S100-V103 PolarHBondContact OG-N 3.47Å; S100-H104 PolarHBondContact O-N 2.61Å; S100-H104 PolarHBondContact O-ND1 3.05Å
101	I	86.1	Confident	88.7	Confident	118 Å²	118	80.7 Å²	80.7	61%	0.605	39%	0.39	S	S	*	.	H	α-helix	trans	-64.1	-19	177.2	-157	168.1	0	0	0	112.4	K105	I101-K105 WeakPolarHBondContact O-CB 3.18Å; I101-K105 VanDerWaalsContact O-CG 3.25Å; I101-K105 WeakPolarHBondContact O-CG 3.41Å; I101-K105 PolarHBondContact O-N 3.3Å
102	L	87.9	Confident	88.9	Confident	112 Å²	112	80.2 Å²	80.2	59%	0.586	39%	0.388	S	S	*	.	H	α-helix	trans	-69.5	-47.4	173.5	-178.2	62.6	0	0	0	111	S100 H104 K105 L106	S100-L102 PolarHBondContact O-N 2.94Å; S100-L102 VanDerWaalsContact O-N 3.16Å; L102-H104 VanDerWaalsContact C-N 3.31Å; L102-H104 PolarHBondContact O-N 3.4Å; L102-K105 CarbonylContact O-C 3.59Å; L102-K105 PolarHBondContact O-N 3.21Å; L102-K105 VanDerWaalsContact O-N 3.16Å; L102-L106 HydrophobicContact CD1-CG 4.45Å; L102-L106 HydrophobicContact CG-CD1 4.2Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.45Å
103	V	87.7	Confident	88.9	Confident	30 Å²	30	78.1 Å²	78.1	18%	0.182	38%	0.38	C	S	.	.	H	α-helix	trans	-58.5	-44.8	177.2	174.5	0	0	0	0	110.4	L48 P60 S100 L106 L107	L48-V103 HydrophobicContact CD2-CG1 4.29Å; P60-V103 HydrophobicContact CB-CG1 4.31Å; P60-V103 HydrophobicContact CG-CG1 4.04Å; S100-V103 PolarHBondContact O-N 3.09Å; S100-V103 VanDerWaalsContact O-N 3.15Å; S100-V103 PolarHBondContact OG-N 3.47Å; V103-L106 PolarHBondContact O-N 2.8Å; V103-L107 HydrophobicContact CG1-CD1 3.75Å; V103-L107 HydrophobicContact CG1-CG 4.45Å; V103-L107 WeakPolarHBondContact O-CD1 3.36Å; V103-L107 VanDerWaalsContact O-CG 3.23Å; V103-L107 WeakPolarHBondContact O-CG 3.4Å; V103-L107 PolarHBondContact O-N 2.75Å
104	H	86.8	Confident	89	Confident	53 Å²	53	75.2 Å²	75.2	25%	0.245	37%	0.367	C	S	.	.	H	α-helix	trans	-57.7	-51.7	173.6	-69.3	81.7	0	0	0	111.7	S99 S100 L102 L106 L107 D108	S99-H104 PolarHBondContact O-CE1 3.08Å; S99-H104 PolarHBondContact O-ND1 2.98Å; S100-H104 PolarHBondContact O-N 2.61Å; S100-H104 PolarHBondContact O-ND1 3.05Å; L102-H104 VanDerWaalsContact C-N 3.31Å; L102-H104 PolarHBondContact O-N 3.4Å; H104-L106 VanDerWaalsContact C-N 3.27Å; H104-L106 PolarHBondContact O-N 2.78Å; H104-L107 PolarHBondContact O-N 3.15Å; H104-D108 WeakPolarHBondContact O-CB 3.21Å; H104-D108 PolarHBondContact O-N 3Å
105	K	86.2	Confident	89	Confident	122 Å²	122	67.9 Å²	67.9	53%	0.53	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-25.7	178.2	-76.2	172.9	177.9	177.1	0	114.7	I101 L102 K109	I101-K105 WeakPolarHBondContact O-CB 3.18Å; I101-K105 VanDerWaalsContact O-CG 3.25Å; I101-K105 WeakPolarHBondContact O-CG 3.41Å; I101-K105 PolarHBondContact O-N 3.3Å; L102-K105 CarbonylContact O-C 3.59Å; L102-K105 PolarHBondContact O-N 3.21Å; L102-K105 VanDerWaalsContact O-N 3.16Å; K105-K109 WeakPolarHBondContact O-CD 3.49Å; K105-K109 VanDerWaalsContact O-CG 3.29Å; K105-K109 WeakPolarHBondContact O-CG 3.2Å
106	L	90.4	Very high	88.8	Confident	77 Å²	77	64.1 Å²	64.1	40%	0.403	32%	0.317	S	S	.	.	H	α-helix	trans	-75.3	-48.7	173.8	-72.1	170.5	0	0	0	110.4	L48 L102 V103 H104 D108 K109	L48-L106 HydrophobicContact CD1-CB 4.02Å; L48-L106 HydrophobicContact CD2-CB 4.38Å; L102-L106 HydrophobicContact CD1-CG 4.45Å; L102-L106 HydrophobicContact CG-CD1 4.2Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.45Å; V103-L106 PolarHBondContact O-N 2.8Å; H104-L106 VanDerWaalsContact C-N 3.27Å; H104-L106 PolarHBondContact O-N 2.78Å; L106-D108 VanDerWaalsContact C-N 3.3Å; L106-D108 PolarHBondContact O-N 2.84Å; L106-K109 PolarHBondContact O-N 3.43Å
107	L	90.3	Very high	88.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63	-35	178.3	-66.7	162.3	0	0	0	112.8	L48 P56 L57 P60 V103 H104 K109 L110 R126	L48-L107 HydrophobicContact CB-CD2 3.84Å; L48-L107 HydrophobicContact CD1-CD2 4.39Å; L48-L107 HydrophobicContact CD2-CD2 4.24Å; L48-L107 HydrophobicContact CD2-CG 4.26Å; L48-L107 HydrophobicContact CG-CD2 4.39Å; P56-L107 HydrophobicContact CB-CD2 4.46Å; L57-L107 HydrophobicContact CB-CD1 3.7Å; L57-L107 HydrophobicContact CB-CD2 3.91Å; L57-L107 HydrophobicContact CB-CG 4.48Å; P60-L107 HydrophobicContact CG-CD1 3.87Å; V103-L107 HydrophobicContact CG1-CD1 3.75Å; V103-L107 HydrophobicContact CG1-CG 4.45Å; V103-L107 WeakPolarHBondContact O-CD1 3.36Å; V103-L107 VanDerWaalsContact O-CG 3.23Å; V103-L107 WeakPolarHBondContact O-CG 3.4Å; V103-L107 PolarHBondContact O-N 2.75Å; H104-L107 PolarHBondContact O-N 3.15Å; L107-K109 VanDerWaalsContact C-N 3.34Å; L107-L110 HydrophobicContact CD2-CD1 4.13Å; L107-L110 WeakPolarHBondContact O-CB 3.45Å; L107-L110 VanDerWaalsContact O-CG 3.28Å; L107-L110 WeakPolarHBondContact O-CG 3.32Å; L107-L110 PolarHBondContact O-N 3.32Å; L107-R126 VanDerWaalsContact CB-NH2 3.25Å; L107-R126 PolarHBondContact O-NE 2.92Å; L107-R126 VanDerWaalsContact O-NE 3.14Å
108	D	90.1	Very high	87.6	Confident	54 Å²	54	64.7 Å²	64.7	29%	0.289	34%	0.342	S	S	.	.	H	α-helix	trans	-71.9	-28.6	-179.1	-68.7	-17.8	0	0	0	112.9	H104 L106 L110 R126 C127	H104-D108 WeakPolarHBondContact O-CB 3.21Å; H104-D108 PolarHBondContact O-N 3Å; L106-D108 VanDerWaalsContact C-N 3.3Å; L106-D108 PolarHBondContact O-N 2.84Å; D108-L110 VanDerWaalsContact C-N 3.28Å; D108-L110 PolarHBondContact O-N 3.34Å; D108-R126 PolarHBondContact O-N 2.82Å; D108-R126 IonicContact OD1-CZ 3.08Å; D108-R126 IonicContact OD1-NE 2.58Å; D108-R126 IonicContact OD1-NH2 3.57Å; D108-R126 PolarHBondContact OD1-NH2 2.87Å; D108-C127 HydrophobicContact CB-CB 4.04Å; D108-C127 PolarHBondContact O-N 3.39Å
109	K	89.9	Confident	87.1	Confident	133 Å²	133	60 Å²	60	58%	0.578	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.3	174.9	-74.8	174.8	179.2	-173.9	0	114.2	K105 L106 L107 L111	K105-K109 WeakPolarHBondContact O-CD 3.49Å; K105-K109 VanDerWaalsContact O-CG 3.29Å; K105-K109 WeakPolarHBondContact O-CG 3.2Å; L106-K109 PolarHBondContact O-N 3.43Å; L107-K109 VanDerWaalsContact C-N 3.34Å; K109-L111 PolarHBondContact O-N 2.74Å
110	L	90.8	Very high	86.8	Confident	29 Å²	29	60 Å²	60	15%	0.152	33%	0.328	C	S	.	.	S	Bend	trans	-59.2	131.3	-179.9	-64.2	176.8	0	0	0	109.8	Y40 V44 P56 L107 D108 Q125 R126	Y40-L110 HydrophobicContact CD1-CB 3.9Å; Y40-L110 HydrophobicContact CD1-CD1 4.22Å; Y40-L110 HydrophobicContact CE1-CB 3.76Å; Y40-L110 HydrophobicContact CE1-CD1 3.7Å; Y40-L110 HydrophobicContact CE1-CG 4.4Å; V44-L110 HydrophobicContact CG1-CD1 3.7Å; V44-L110 HydrophobicContact CG1-CD2 3.91Å; V44-L110 HydrophobicContact CG1-CG 4.48Å; V44-L110 HydrophobicContact CG2-CD1 4.04Å; V44-L110 HydrophobicContact CG2-CD2 4.09Å; P56-L110 HydrophobicContact CB-CD1 4.01Å; L107-L110 HydrophobicContact CD2-CD1 4.13Å; L107-L110 WeakPolarHBondContact O-CB 3.45Å; L107-L110 VanDerWaalsContact O-CG 3.28Å; L107-L110 WeakPolarHBondContact O-CG 3.32Å; L107-L110 PolarHBondContact O-N 3.32Å; D108-L110 VanDerWaalsContact C-N 3.28Å; D108-L110 PolarHBondContact O-N 3.34Å; L110-Q125 CarbonylContact O-C 3.55Å; L110-R126 WeakPolarHBondContact O-CB 3.33Å; L110-R126 PolarHBondContact O-N 2.81Å
111	L	91.1	Very high	86.4	Confident	64 Å²	64	65.9 Å²	65.9	34%	0.335	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.8	-178.9	-65.8	-179.4	0	0	0	110.5	Y40 Q41 K109 V123 M124 Q125	Y40-L111 WeakPolarHBondContact CA-O 3.25Å; Q41-L111 HydrophobicContact CB-CB 4.28Å; Q41-L111 PolarHBondContact N-O 2.85Å; K109-L111 PolarHBondContact O-N 2.74Å; L111-V123 HydrophobicContact CB-CG1 4.11Å; L111-V123 HydrophobicContact CD1-CG1 4.28Å; L111-V123 HydrophobicContact CD2-CG1 4.25Å; L111-V123 HydrophobicContact CG-CG1 4.45Å; L111-M124 WeakPolarHBondContact CA-O 3.49Å; L111-Q125 HydrophobicContact CD2-CG 4.27Å
112	V	91.8	Very high	86.4	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142	179.2	-60.1	0	0	0	0	110.9	Y38 N39 Y40 M124 R126 L129	Y38-V112 HydrophobicContact CD1-CG1 4.3Å; Y38-V112 HydrophobicContact CG-CG1 4.5Å; N39-V112 CarbonylContact O-C 3.57Å; N39-V112 WeakPolarHBondContact O-CA 3.47Å; Y40-V112 HydrophobicContact CD1-CG1 3.64Å; Y40-V112 HydrophobicContact CE1-CG1 3.73Å; Y40-V112 HydrophobicContact CG-CG1 4.37Å; V112-M124 HydrophobicContact CG2-CG 4.26Å; V112-M124 PolarHBondContact N-O 3.38Å; V112-M124 PolarHBondContact O-N 3.17Å; V112-M124 VanDerWaalsContact O-N 3.09Å; V112-R126 HydrophobicContact CG1-CB 4.03Å; V112-R126 HydrophobicContact CG1-CG 4.06Å; V112-L129 HydrophobicContact CG2-CB 3.94Å; V112-L129 HydrophobicContact CG2-CD1 4.4Å; V112-L129 HydrophobicContact CG2-CD2 4.03Å; V112-L129 HydrophobicContact CG2-CG 4.33Å
113	L	89	Confident	86.4	Confident	66 Å²	66	61.8 Å²	61.8	35%	0.346	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	141.2	172.6	-71	155.2	0	0	0	109.8	N39 Q41 V123	N39-L113 HydrophobicContact CB-CB 4.07Å; N39-L113 PolarHBondContact O-N 2.89Å; Q41-L113 HydrophobicContact CB-CD1 4.46Å; Q41-L113 HydrophobicContact CB-CG 4.4Å; L113-V123 HydrophobicContact CD2-CG2 3.64Å; L113-V123 HydrophobicContact CG-CG2 4.47Å
114	C	87.8	Confident	86.5	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.007	32%	0.324	C	S	.	.			trans	-57.7	131.8	169.7	-171	0	0	0	0	110.7	F116 S117 C120 D122 H132	C114-F116 PolarHBondContact O-N 2.93Å; C114-F116 VanDerWaalsContact O-N 3.16Å; C114-S117 PolarHBondContact O-N 3.41Å; C114-C120 HydrophobicContact CB-CB 4.28Å; C114-D122 PolarHBondContact N-O 3.18Å; C114-D122 VanDerWaalsContact N-O 3.16Å; C114-H132 PolarHBondContact SG-NE2 3.2Å
115	P	84.8	Confident	86.7	Confident	30 Å²	30	62.9 Å²	62.9	20%	0.195	33%	0.331	C	S	.	.	S	Bend	trans	-65.7	-16.3	178.9	27.8	-37.2	0	0	0	113.2	Q28 S117 L133	Q28-P115 HydrophobicContact CG-CB 4.18Å; P115-S117 VanDerWaalsContact C-N 3.27Å; P115-S117 PolarHBondContact O-N 2.91Å; P115-L133 HydrophobicContact CG-CD2 4.13Å
116	F	82.1	Confident	86.9	Confident	33 Å²	33	58 Å²	58	15%	0.145	31%	0.31	C	S	.	.			trans	-90.3	46.9	175	-62.8	-75.7	0	0	0	112.2	L22 C114 S118 V119 C120 L133 A140	L22-F116 HydrophobicContact CD1-CE1 4.23Å; L22-F116 HydrophobicContact CD1-CZ 3.68Å; C114-F116 PolarHBondContact O-N 2.93Å; C114-F116 VanDerWaalsContact O-N 3.16Å; F116-S118 PolarHBondContact O-N 3.1Å; F116-V119 PolarHBondContact O-N 2.91Å; F116-C120 PolarHBondContact O-N 2.88Å; F116-L133 HydrophobicContact CD2-CD2 3.86Å; F116-L133 HydrophobicContact CE2-CD2 3.8Å; F116-A140 HydrophobicContact CD2-CB 4.26Å; F116-A140 HydrophobicContact CE2-CB 3.78Å; F116-A140 HydrophobicContact CZ-CB 4.44Å
117	S	76.7	Confident	86.9	Confident	81 Å²	81	57.3 Å²	57.3	57%	0.566	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-21.8	-172.4	60.3	0	0	0	0	115.5	C114 P115 C120	C114-S117 PolarHBondContact O-N 3.41Å; P115-S117 VanDerWaalsContact C-N 3.27Å; P115-S117 PolarHBondContact O-N 2.91Å; S117-C120 VanDerWaalsContact CA-O 3.32Å; S117-C120 WeakPolarHBondContact CA-O 3.45Å
118	S	78.3	Confident	86.8	Confident	111 Å²	111	60.4 Å²	60.4	78%	0.776	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.4	174.3	53.3	0	0	0	0	114.5	F116	F116-S118 PolarHBondContact O-N 3.1Å
119	V	81.3	Confident	86.6	Confident	81 Å²	81	57.9 Å²	57.9	49%	0.491	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-26	-176.1	-168	0	0	0	0	112.1	F116 P138	F116-V119 PolarHBondContact O-N 2.91Å; V119-P138 HydrophobicContact CG1-CB 4.14Å
120	C	83.4	Confident	86.4	Confident	6 Å²	6	55 Å²	55	4%	0.041	30%	0.302	C	S	.	.			trans	-133.8	120.5	-179.6	177.5	0	0	0	0	109.6	C114 F116 S117 D122 H132	C114-C120 HydrophobicContact CB-CB 4.28Å; F116-C120 PolarHBondContact O-N 2.88Å; S117-C120 VanDerWaalsContact CA-O 3.32Å; S117-C120 WeakPolarHBondContact CA-O 3.45Å; C120-D122 PolarHBondContact SG-OD2 2.73Å; C120-H132 PolarHBondContact SG-CE1 2.98Å; C120-H132 PolarHBondContact SG-NE2 2.78Å; C120-H132 VanDerWaalsContact SG-NE2 3.36Å
121	K	82.9	Confident	86.1	Confident	182 Å²	182	55.6 Å²	55.6	79%	0.791	31%	0.311	S	S	*	.			trans	-102	15.2	-179.9	-64.5	-174.7	177.9	-178.6	0	112.9
122	D	84.4	Confident	85.9	Confident	82 Å²	82	52.7 Å²	52.7	44%	0.439	30%	0.296	S	S	.	.			trans	-70	134.2	-173.2	-61	-8.3	0	0	0	111	C114 C120 M124 H132	C114-D122 PolarHBondContact N-O 3.18Å; C114-D122 VanDerWaalsContact N-O 3.16Å; C120-D122 PolarHBondContact SG-OD2 2.73Å; D122-M124 HydrophobicContact CB-CE 3.5Å; D122-M124 VanDerWaalsContact CB-CE 3.5Å; D122-H132 IonicContact OD2-CE1 3.44Å; D122-H132 PolarHBondContact OD2-CE1 3.11Å; D122-H132 IonicContact OD2-ND1 3.09Å
123	V	87.9	Confident	85.5	Confident	62 Å²	62	53.2 Å²	53.2	38%	0.376	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.8	168.8	171.2	0	0	0	0	107.5	L111 L113	L111-V123 HydrophobicContact CB-CG1 4.11Å; L111-V123 HydrophobicContact CD1-CG1 4.28Å; L111-V123 HydrophobicContact CD2-CG1 4.25Å; L111-V123 HydrophobicContact CG-CG1 4.45Å; L113-V123 HydrophobicContact CD2-CG2 3.64Å; L113-V123 HydrophobicContact CG-CG2 4.47Å
124	M	89.9	Confident	85.1	Confident	21 Å²	21	54.4 Å²	54.4	10%	0.103	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	170.3	179.4	63.7	-151.8	71.5	0	0	111.8	L111 V112 D122 D128 L129 H132	L111-M124 WeakPolarHBondContact CA-O 3.49Å; V112-M124 HydrophobicContact CG2-CG 4.26Å; V112-M124 PolarHBondContact N-O 3.38Å; V112-M124 PolarHBondContact O-N 3.17Å; V112-M124 VanDerWaalsContact O-N 3.09Å; D122-M124 HydrophobicContact CB-CE 3.5Å; D122-M124 VanDerWaalsContact CB-CE 3.5Å; M124-D128 HydrophobicContact CB-CB 4.2Å; M124-D128 HydrophobicContact CG-CB 4.28Å; M124-L129 HydrophobicContact CG-CB 4.48Å; M124-L129 HydrophobicContact SD-CB 4.34Å; M124-L129 HydrophobicContact SD-CD1 3.88Å; M124-H132 HydrophobicContact CE-CB 4.1Å; M124-H132 HydrophobicContact SD-CB 3.33Å; M124-H132 WeakPolarHBondContact SD-CB 2.98Å; M124-H132 VanDerWaalsContact SD-CG 3.52Å
125	Q	92.4	Very high	84.8	Confident	85 Å²	85	60.7 Å²	60.7	40%	0.397	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	147.8	171.2	-65.8	-176.7	25.1	0	0	110	L110 L111 C127 D128 L129	L110-Q125 CarbonylContact O-C 3.55Å; L111-Q125 HydrophobicContact CD2-CG 4.27Å; Q125-C127 PolarHBondContact O-N 2.95Å; Q125-C127 VanDerWaalsContact O-N 3.16Å; Q125-D128 WeakPolarHBondContact O-CB 3.49Å; Q125-D128 PolarHBondContact O-N 3.45Å; Q125-L129 PolarHBondContact O-N 2.82Å
126	R	90.3	Very high	84.7	Confident	21 Å²	21	66.7 Å²	66.7	8%	0.079	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36	-176.3	-168.8	-172.7	70.6	169.7	2.5	113	Y38 Y40 L57 L107 D108 L110 V112 D128 L129	Y38-R126 HydrophobicContact CD1-CG 3.72Å; Y38-R126 HydrophobicContact CE1-CG 3.71Å; Y38-R126 HydrophobicContact CG-CG 4.17Å; Y40-R126 WeakPolarHBondContact OH-CD 2.99Å; L57-R126 PolarHBondContact O-NH1 3.39Å; L107-R126 VanDerWaalsContact CB-NH2 3.25Å; L107-R126 PolarHBondContact O-NE 2.92Å; L107-R126 VanDerWaalsContact O-NE 3.14Å; D108-R126 PolarHBondContact O-N 2.82Å; D108-R126 IonicContact OD1-CZ 3.08Å; D108-R126 IonicContact OD1-NE 2.58Å; D108-R126 IonicContact OD1-NH2 3.57Å; D108-R126 PolarHBondContact OD1-NH2 2.87Å; L110-R126 WeakPolarHBondContact O-CB 3.33Å; L110-R126 PolarHBondContact O-N 2.81Å; V112-R126 HydrophobicContact CG1-CB 4.03Å; V112-R126 HydrophobicContact CG1-CG 4.06Å; R126-D128 VanDerWaalsContact C-N 3.29Å; R126-D128 PolarHBondContact O-N 3.3Å; R126-L129 PolarHBondContact O-N 3.32Å
127	C	89.1	Confident	84.8	Confident	62 Å²	62	65.2 Å²	65.2	42%	0.419	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.9	175.3	57	0	0	0	0	114	D108 Q125	D108-C127 HydrophobicContact CB-CB 4.04Å; D108-C127 PolarHBondContact O-N 3.39Å; Q125-C127 PolarHBondContact O-N 2.95Å; Q125-C127 VanDerWaalsContact O-N 3.16Å
128	D	88.7	Confident	84.9	Confident	65 Å²	65	64 Å²	64	35%	0.348	34%	0.337	S	S	.	.	H	α-helix	trans	-85.4	-13.5	-176.6	-63.3	-32.1	0	0	0	113	M124 Q125 R126 E130 A131 H132	M124-D128 HydrophobicContact CB-CB 4.2Å; M124-D128 HydrophobicContact CG-CB 4.28Å; Q125-D128 WeakPolarHBondContact O-CB 3.49Å; Q125-D128 PolarHBondContact O-N 3.45Å; R126-D128 VanDerWaalsContact C-N 3.29Å; R126-D128 PolarHBondContact O-N 3.3Å; D128-E130 PolarHBondContact O-N 2.84Å; D128-A131 PolarHBondContact O-N 2.98Å; D128-H132 WeakPolarHBondContact O-CB 3.47Å; D128-H132 PolarHBondContact O-N 3.17Å
129	L	86.6	Confident	84.9	Confident	1 Å²	1	59 Å²	59	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-43.9	-174.6	-176.4	65.5	0	0	0	112.2	Y38 V112 M124 Q125 R126 A131 H132 L133	Y38-L129 HydrophobicContact CD1-CD2 3.61Å; Y38-L129 HydrophobicContact CE1-CD2 3.9Å; V112-L129 HydrophobicContact CG2-CB 3.94Å; V112-L129 HydrophobicContact CG2-CD1 4.4Å; V112-L129 HydrophobicContact CG2-CD2 4.03Å; V112-L129 HydrophobicContact CG2-CG 4.33Å; M124-L129 HydrophobicContact CG-CB 4.48Å; M124-L129 HydrophobicContact SD-CB 4.34Å; M124-L129 HydrophobicContact SD-CD1 3.88Å; Q125-L129 PolarHBondContact O-N 2.82Å; R126-L129 PolarHBondContact O-N 3.32Å; L129-A131 PolarHBondContact O-N 3.18Å; L129-H132 PolarHBondContact O-N 2.8Å; L129-L133 HydrophobicContact CD1-CD1 4.28Å; L129-L133 HydrophobicContact CD1-CG 4.17Å; L129-L133 HydrophobicContact CD2-CD1 4.45Å; L129-L133 HydrophobicContact CG-CD1 3.94Å; L129-L133 HydrophobicContact CG-CG 4.26Å; L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 2.67Å
130	E	84.2	Confident	84.8	Confident	72 Å²	72	55.7 Å²	55.7	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-46.5	177.8	179.9	177.7	-178	0	0	111.1	D128 H132 L133 K134	D128-E130 PolarHBondContact O-N 2.84Å; E130-H132 VanDerWaalsContact C-N 3.34Å; E130-H132 PolarHBondContact O-N 2.97Å; E130-L133 PolarHBondContact O-N 3.41Å; E130-K134 HydrophobicContact CG-CD 4.13Å; E130-K134 WeakPolarHBondContact O-CB 3.32Å; E130-K134 WeakPolarHBondContact O-CG 3.48Å; E130-K134 PolarHBondContact O-N 3.39Å; E130-K134 WeakPolarHBondContact OE1-CE 3.33Å; E130-K134 IonicContact OE1-NZ 2.99Å; E130-K134 PolarHBondContact OE1-NZ 2.94Å
131	A	85.8	Confident	84.6	Confident	41 Å²	41	58.2 Å²	58.2	34%	0.339	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-37.6	177.6	0	0	0	0	0	112.1	D128 L129 N135	D128-A131 PolarHBondContact O-N 2.98Å; L129-A131 PolarHBondContact O-N 3.18Å; A131-N135 WeakPolarHBondContact O-CB 3.45Å; A131-N135 PolarHBondContact O-N 3.06Å
132	H	86.6	Confident	84.2	Confident	4 Å²	4	56 Å²	56	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-50.1	171.9	168.5	88.8	0	0	0	111.7	C114 C120 D122 M124 D128 L129 E130 K134 N135 R136 C137	C114-H132 PolarHBondContact SG-NE2 3.2Å; C120-H132 PolarHBondContact SG-CE1 2.98Å; C120-H132 PolarHBondContact SG-NE2 2.78Å; C120-H132 VanDerWaalsContact SG-NE2 3.36Å; D122-H132 IonicContact OD2-CE1 3.44Å; D122-H132 PolarHBondContact OD2-CE1 3.11Å; D122-H132 IonicContact OD2-ND1 3.09Å; M124-H132 HydrophobicContact CE-CB 4.1Å; M124-H132 HydrophobicContact SD-CB 3.33Å; M124-H132 WeakPolarHBondContact SD-CB 2.98Å; M124-H132 VanDerWaalsContact SD-CG 3.52Å; D128-H132 WeakPolarHBondContact O-CB 3.47Å; D128-H132 PolarHBondContact O-N 3.17Å; L129-H132 PolarHBondContact O-N 2.8Å; E130-H132 VanDerWaalsContact C-N 3.34Å; E130-H132 PolarHBondContact O-N 2.97Å; H132-K134 VanDerWaalsContact C-N 3.28Å; H132-K134 PolarHBondContact O-N 2.98Å; H132-N135 PolarHBondContact O-N 3.21Å; H132-R136 CarbonylContact O-C 3.58Å; H132-R136 PolarHBondContact O-N 3.41Å; H132-C137 VanDerWaalsContact NE2-CB 3.26Å; H132-C137 WeakPolarHBondContact NE2-CB 3.38Å; H132-C137 PolarHBondContact NE2-SG 3.19Å; H132-C137 WeakPolarHBondContact O-CB 3.47Å; H132-C137 PolarHBondContact O-N 2.79Å
133	L	83.6	Confident	83.5	Confident	11 Å²	11	56.6 Å²	56.6	6%	0.058	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-34.8	179.6	-72.3	175.4	0	0	0	112.7	C26 P115 F116 L129 E130 C137 A140 R144	C26-L133 VanDerWaalsContact C-CD1 3.49Å; P115-L133 HydrophobicContact CG-CD2 4.13Å; F116-L133 HydrophobicContact CD2-CD2 3.86Å; F116-L133 HydrophobicContact CE2-CD2 3.8Å; L129-L133 HydrophobicContact CD1-CD1 4.28Å; L129-L133 HydrophobicContact CD1-CG 4.17Å; L129-L133 HydrophobicContact CD2-CD1 4.45Å; L129-L133 HydrophobicContact CG-CD1 3.94Å; L129-L133 HydrophobicContact CG-CG 4.26Å; L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 2.67Å; E130-L133 PolarHBondContact O-N 3.41Å; L133-C137 HydrophobicContact CD2-CB 4.32Å; L133-A140 HydrophobicContact CD2-CB 4.25Å; L133-A140 VanDerWaalsContact O-CB 3.26Å; L133-A140 WeakPolarHBondContact O-CB 3.04Å; L133-R144 PolarHBondContact O-NH2 2.81Å
134	K	80.8	Confident	82.8	Confident	91 Å²	91	58 Å²	58	40%	0.396	29%	0.289	S	S	.	.	H	α-helix	trans	-76.2	-44.3	175.5	-71.4	178.9	-177.2	176.8	0	113.5	E130 H132 R144	E130-K134 HydrophobicContact CG-CD 4.13Å; E130-K134 WeakPolarHBondContact O-CB 3.32Å; E130-K134 WeakPolarHBondContact O-CG 3.48Å; E130-K134 PolarHBondContact O-N 3.39Å; E130-K134 WeakPolarHBondContact OE1-CE 3.33Å; E130-K134 IonicContact OE1-NZ 2.99Å; E130-K134 PolarHBondContact OE1-NZ 2.94Å; H132-K134 VanDerWaalsContact C-N 3.28Å; H132-K134 PolarHBondContact O-N 2.98Å; K134-R144 PolarHBondContact O-NH1 3.4Å; K134-R144 PolarHBondContact O-NH2 2.9Å
135	N	81	Confident	81.9	Confident	133 Å²	133	60 Å²	60	71%	0.711	30%	0.302	S	S	*	.	H	α-helix	trans	-118	-17.3	-162.9	-59.2	-15.7	0	0	0	115.3	A131 H132	A131-N135 WeakPolarHBondContact O-CB 3.45Å; A131-N135 PolarHBondContact O-N 3.06Å; H132-N135 PolarHBondContact O-N 3.21Å
136	R	82.1	Confident	80.7	Confident	155 Å²	155	58.6 Å²	58.6	59%	0.585	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	-26.2	-168.7	-61.9	-177.9	-71.6	-159.7	1	115.1	H132 P138	H132-R136 CarbonylContact O-C 3.58Å; H132-R136 PolarHBondContact O-N 3.41Å; R136-P138 VanDerWaalsContact O-CD 3.3Å; R136-P138 WeakPolarHBondContact O-CD 3.36Å
137	C	83.7	Confident	79.6	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.014	33%	0.327	C	S	.	.			trans	-72.2	118.8	-172.1	-173.2	0	0	0	0	113	H132 L133 G139 A140 S141	H132-C137 VanDerWaalsContact NE2-CB 3.26Å; H132-C137 WeakPolarHBondContact NE2-CB 3.38Å; H132-C137 PolarHBondContact NE2-SG 3.19Å; H132-C137 WeakPolarHBondContact O-CB 3.47Å; H132-C137 PolarHBondContact O-N 2.79Å; L133-C137 HydrophobicContact CD2-CB 4.32Å; C137-G139 PolarHBondContact O-N 2.82Å; C137-A140 HydrophobicContact CB-CB 3.79Å; C137-A140 PolarHBondContact O-N 2.63Å; C137-S141 WeakPolarHBondContact O-CB 3.49Å; C137-S141 PolarHBondContact O-N 2.81Å
138	P	78.9	Confident	78.4	Confident	56 Å²	56	65.2 Å²	65.2	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-42.8	176.4	-22.9	34.3	0	0	0	112.6	V119 R136 A140 S141 H142	V119-P138 HydrophobicContact CG1-CB 4.14Å; R136-P138 VanDerWaalsContact O-CD 3.3Å; R136-P138 WeakPolarHBondContact O-CD 3.36Å; P138-A140 PolarHBondContact O-N 2.84Å; P138-S141 WeakPolarHBondContact O-CB 3.18Å; P138-S141 PolarHBondContact O-N 2.78Å; P138-H142 PolarHBondContact O-CD2 3.38Å; P138-H142 PolarHBondContact O-N 3.22Å
139	G	79.2	Confident	77.3	Confident	7 Å²	7	69 Å²	69	7%	0.072	35%	0.347	C	S	.	.	H	α-helix	trans	-61.9	-41.6	179.3	0	0	0	0	0	113.4	C137 R143	C137-G139 PolarHBondContact O-N 2.82Å; G139-R143 PolarHBondContact O-N 3.5Å
140	A	78.8	Confident	76.1	Confident	11 Å²	11	76.8 Å²	76.8	9%	0.091	38%	0.376	C	S	.	.	H	α-helix	trans	-71.9	-30.5	175.9	0	0	0	0	0	112.8	F116 L133 C137 P138 R144	F116-A140 HydrophobicContact CD2-CB 4.26Å; F116-A140 HydrophobicContact CE2-CB 3.78Å; F116-A140 HydrophobicContact CZ-CB 4.44Å; L133-A140 HydrophobicContact CD2-CB 4.25Å; L133-A140 VanDerWaalsContact O-CB 3.26Å; L133-A140 WeakPolarHBondContact O-CB 3.04Å; C137-A140 HydrophobicContact CB-CB 3.79Å; C137-A140 PolarHBondContact O-N 2.63Å; P138-A140 PolarHBondContact O-N 2.84Å; A140-R144 PolarHBondContact O-N 2.78Å; A140-R144 VanDerWaalsContact O-N 3.08Å; A140-R144 PolarHBondContact O-NE 2.86Å
141	S	78.7	Confident	75	Confident	58 Å²	58	80.9 Å²	80.9	41%	0.406	39%	0.393	S	S	.	.	H	α-helix	trans	-68.2	-52.1	174.6	-175.9	0	0	0	0	111.5	C137 P138 R143 R144 V145	C137-S141 WeakPolarHBondContact O-CB 3.49Å; C137-S141 PolarHBondContact O-N 2.81Å; P138-S141 WeakPolarHBondContact O-CB 3.18Å; P138-S141 PolarHBondContact O-N 2.78Å; S141-R143 PolarHBondContact O-N 3.02Å; S141-R144 PolarHBondContact O-N 3.5Å; S141-V145 PolarHBondContact O-N 3.33Å
142	H	74.4	Confident	73.7	Confident	135 Å²	135	83.2 Å²	83.2	63%	0.625	40%	0.403	S	S	*	.	H	α-helix	trans	-55.7	-39.3	175.6	-76.1	-66.2	0	0	0	112.4	P138 A146	P138-H142 PolarHBondContact O-CD2 3.38Å; P138-H142 PolarHBondContact O-N 3.22Å; H142-A146 WeakPolarHBondContact O-CB 3.46Å; H142-A146 PolarHBondContact O-N 3.39Å
143	R	70.1	Confident	72.3	Confident	96 Å²	96	86 Å²	86	36%	0.362	42%	0.424	S	S	.	.	H	α-helix	trans	-72	-32.1	177.5	-168.9	164.8	178.5	157.5	-3.7	113.4	L22 G139 S141 A146 L147	L22-R143 VanDerWaalsContact CD1-CZ 3.44Å; G139-R143 PolarHBondContact O-N 3.5Å; S141-R143 PolarHBondContact O-N 3.02Å; R143-A146 PolarHBondContact O-N 2.9Å; R143-L147 HydrophobicContact CG-CD1 4.36Å; R143-L147 WeakPolarHBondContact O-CB 3.31Å; R143-L147 VanDerWaalsContact O-CG 3.31Å; R143-L147 WeakPolarHBondContact O-CG 3.42Å; R143-L147 PolarHBondContact O-N 3.32Å
144	R	73.5	Confident	70.9	Confident	91 Å²	91	93.5 Å²	93.5	34%	0.343	45%	0.451	S	S	.	.	H	α-helix	trans	-64.7	-49.2	171.5	-87.2	177.9	-81	165.2	-8.9	111.4	L133 K134 A140 S141 A146 L147 E148	L133-R144 PolarHBondContact O-NH2 2.81Å; K134-R144 PolarHBondContact O-NH1 3.4Å; K134-R144 PolarHBondContact O-NH2 2.9Å; A140-R144 PolarHBondContact O-N 2.78Å; A140-R144 VanDerWaalsContact O-N 3.08Å; A140-R144 PolarHBondContact O-NE 2.86Å; S141-R144 PolarHBondContact O-N 3.5Å; R144-A146 VanDerWaalsContact C-N 3.26Å; R144-A146 PolarHBondContact O-N 2.93Å; R144-L147 PolarHBondContact O-N 3.17Å; R144-E148 WeakPolarHBondContact O-CG 3.41Å; R144-E148 PolarHBondContact O-N 3.4Å
145	V	71.1	Confident	69.5	Low	63 Å²	63	92.9 Å²	92.9	38%	0.382	46%	0.455	S	S	.	.	H	α-helix	trans	-58.7	-38.3	174.9	176.8	0	0	0	0	111.7	S141 K149	S141-V145 PolarHBondContact O-N 3.33Å; V145-K149 HydrophobicContact CG1-CD 4.28Å; V145-K149 WeakPolarHBondContact O-CB 3.43Å; V145-K149 VanDerWaalsContact O-CG 3.31Å; V145-K149 WeakPolarHBondContact O-CG 3.48Å; V145-K149 PolarHBondContact O-N 3.34Å
146	A	68	Low	67.9	Low	56 Å²	56	92.2 Å²	92.2	46%	0.463	45%	0.447	S	S	.	.	H	α-helix	trans	-67.5	-38.3	175	0	0	0	0	0	113.1	H142 R143 R144 R150	H142-A146 WeakPolarHBondContact O-CB 3.46Å; H142-A146 PolarHBondContact O-N 3.39Å; R143-A146 PolarHBondContact O-N 2.9Å; R144-A146 VanDerWaalsContact C-N 3.26Å; R144-A146 PolarHBondContact O-N 2.93Å; A146-R150 WeakPolarHBondContact O-CB 3.4Å; A146-R150 PolarHBondContact O-N 3.09Å; A146-R150 VanDerWaalsContact O-N 3.14Å
147	L	66.3	Low	66.2	Low	103 Å²	103	87.8 Å²	87.8	54%	0.539	44%	0.444	S	S	.	.	H	α-helix	trans	-69.2	-39.7	175.6	-76.4	167.2	0	0	0	112	R143 R144 R150 K151	R143-L147 HydrophobicContact CG-CD1 4.36Å; R143-L147 WeakPolarHBondContact O-CB 3.31Å; R143-L147 VanDerWaalsContact O-CG 3.31Å; R143-L147 WeakPolarHBondContact O-CG 3.42Å; R143-L147 PolarHBondContact O-N 3.32Å; R144-L147 PolarHBondContact O-N 3.17Å; L147-R150 CarbonylContact O-C 3.6Å; L147-R150 PolarHBondContact O-N 3.42Å; L147-K151 PolarHBondContact O-N 3.36Å
148	E	64.1	Low	64.4	Low	118 Å²	118	93.7 Å²	93.7	55%	0.551	47%	0.471	S	S	*	.	H	α-helix	trans	-63.2	-49.6	175.8	-74.4	168.2	175.5	0	0	111.3	R144 R150 K151 T152	R144-E148 WeakPolarHBondContact O-CG 3.41Å; R144-E148 PolarHBondContact O-N 3.4Å; E148-R150 PolarHBondContact O-N 2.93Å; E148-K151 WeakPolarHBondContact O-CA 3.11Å; E148-K151 VanDerWaalsContact O-CB 3.31Å; E148-K151 WeakPolarHBondContact O-CB 3.41Å; E148-K151 PolarHBondContact O-N 2.97Å; E148-T152 PolarHBondContact O-N 3.47Å; E148-T152 PolarHBondContact O-OG1 3.16Å
149	K	64.8	Low	63	Low	146 Å²	146	96.4 Å²	96.4	64%	0.635	48%	0.482	S	S	*	.	H	α-helix	trans	-56.9	-34	173.8	-74.4	178.9	178.6	-173.6	0	113.1	V145 T152 S153	V145-K149 HydrophobicContact CG1-CD 4.28Å; V145-K149 WeakPolarHBondContact O-CB 3.43Å; V145-K149 VanDerWaalsContact O-CG 3.31Å; V145-K149 WeakPolarHBondContact O-CG 3.48Å; V145-K149 PolarHBondContact O-N 3.34Å; K149-T152 WeakPolarHBondContact CA-OG1 3.41Å; K149-T152 PolarHBondContact O-OG1 2.8Å; K149-S153 PolarHBondContact O-N 3.12Å; K149-S153 VanDerWaalsContact O-N 3.15Å; K149-S153 PolarHBondContact O-OG 3.38Å
150	R	62.2	Low	61.2	Low	163 Å²	163	102.8 Å²	102.8	62%	0.615	51%	0.51	S	S	*	.	H	α-helix	trans	-82.1	-19.5	177.5	-150.9	175.5	-165.6	179.1	5.2	113.3	A146 L147 E148 S153 R154	A146-R150 WeakPolarHBondContact O-CB 3.4Å; A146-R150 PolarHBondContact O-N 3.09Å; A146-R150 VanDerWaalsContact O-N 3.14Å; L147-R150 CarbonylContact O-C 3.6Å; L147-R150 PolarHBondContact O-N 3.42Å; E148-R150 PolarHBondContact O-N 2.93Å; R150-S153 WeakPolarHBondContact CA-OG 3.46Å; R150-S153 PolarHBondContact O-OG 3.5Å; R150-R154 PolarHBondContact O-N 2.9Å
151	K	61.8	Low	59.3	Low	159 Å²	159	109.5 Å²	109.5	69%	0.691	54%	0.544	S	S	*	.	H	α-helix	trans	-73.7	-51.8	168.8	-126.4	-179.1	178.9	-173.4	0	109.4	L147 E148 S153 R154 T155	L147-K151 PolarHBondContact O-N 3.36Å; E148-K151 WeakPolarHBondContact O-CA 3.11Å; E148-K151 VanDerWaalsContact O-CB 3.31Å; E148-K151 WeakPolarHBondContact O-CB 3.41Å; E148-K151 PolarHBondContact O-N 2.97Å; K151-S153 VanDerWaalsContact C-N 3.32Å; K151-S153 PolarHBondContact O-N 2.67Å; K151-R154 PolarHBondContact O-N 3.28Å; K151-R154 VanDerWaalsContact O-N 3.14Å; K151-T155 PolarHBondContact O-N 3.36Å; K151-T155 PolarHBondContact O-OG1 2.82Å
152	T	58.3	Low	57.5	Low	90 Å²	90	115 Å²	115	55%	0.552	56%	0.563	S	S	*	*	H	α-helix	trans	-60.9	-37.7	178.8	52	0	0	0	0	112.6	E148 K149 T155 Q156	E148-T152 PolarHBondContact O-N 3.47Å; E148-T152 PolarHBondContact O-OG1 3.16Å; K149-T152 WeakPolarHBondContact CA-OG1 3.41Å; K149-T152 PolarHBondContact O-OG1 2.8Å; T152-T155 PolarHBondContact O-N 3.06Å; T152-Q156 WeakPolarHBondContact O-CB 3.3Å; T152-Q156 PolarHBondContact O-N 2.98Å
153	S	56.4	Low	55.4	Low	63 Å²	63	115.9 Å²	115.9	44%	0.441	57%	0.573	S	S	.	*	H	α-helix	trans	-72.9	-27.4	176.3	64.6	0	0	0	0	114.2	K149 R150 K151 A157	K149-S153 PolarHBondContact O-N 3.12Å; K149-S153 VanDerWaalsContact O-N 3.15Å; K149-S153 PolarHBondContact O-OG 3.38Å; R150-S153 WeakPolarHBondContact CA-OG 3.46Å; R150-S153 PolarHBondContact O-OG 3.5Å; K151-S153 VanDerWaalsContact C-N 3.32Å; K151-S153 PolarHBondContact O-N 2.67Å; S153-A157 WeakPolarHBondContact O-CB 3.42Å; S153-A157 PolarHBondContact O-N 2.81Å
154	R	54.5	Low	53.3	Low	168 Å²	168	114.7 Å²	114.7	63%	0.634	59%	0.591	S	S	*	*	H	α-helix	trans	-68.4	-44.6	168.3	-80.5	-175	66.6	170.2	1.3	111.6	R150 K151 Q156 A157 E158	R150-R154 PolarHBondContact O-N 2.9Å; K151-R154 PolarHBondContact O-N 3.28Å; K151-R154 VanDerWaalsContact O-N 3.14Å; R154-Q156 PolarHBondContact O-N 3.22Å; R154-A157 PolarHBondContact O-N 3.23Å; R154-E158 IonicContact NH2-OE1 3.9Å; R154-E158 WeakPolarHBondContact O-CB 3.43Å; R154-E158 WeakPolarHBondContact O-CG 3.48Å; R154-E158 PolarHBondContact O-N 3.48Å
155	T	50.6	Low	51.8	Low	78 Å²	78	116 Å²	116	48%	0.479	61%	0.61	S	S	.	*	H	α-helix	trans	-62	-33.5	176.5	-40.4	0	0	0	0	111.8	K151 T152 I159	K151-T155 PolarHBondContact O-N 3.36Å; K151-T155 PolarHBondContact O-OG1 2.82Å; T152-T155 PolarHBondContact O-N 3.06Å; T155-I159 HydrophobicContact CG2-CD1 4.5Å; T155-I159 VanDerWaalsContact O-CD1 3.29Å; T155-I159 WeakPolarHBondContact O-CD1 3.14Å; T155-I159 VanDerWaalsContact O-CG1 3.27Å; T155-I159 WeakPolarHBondContact O-CG1 3.42Å; T155-I159 PolarHBondContact O-N 2.7Å
156	Q	47.8	Very low	49.6	Very low	118 Å²	118	118.8 Å²	118.8	55%	0.551	63%	0.628	S	S	*	*	H	α-helix	trans	-76.5	-39.3	176.8	-168.4	161.7	-6.8	0	0	113	T152 R154 E158 I159 E160	T152-Q156 WeakPolarHBondContact O-CB 3.3Å; T152-Q156 PolarHBondContact O-N 2.98Å; R154-Q156 PolarHBondContact O-N 3.22Å; Q156-E158 VanDerWaalsContact C-N 3.29Å; Q156-E158 PolarHBondContact O-N 2.82Å; Q156-I159 PolarHBondContact O-N 3.37Å; Q156-I159 VanDerWaalsContact O-N 3.07Å; Q156-E160 PolarHBondContact NE2-OE1 3.37Å; Q156-E160 PolarHBondContact O-N 2.8Å; Q156-E160 VanDerWaalsContact O-N 3.13Å
157	A	46.6	Very low	47.6	Very low	62 Å²	62	123 Å²	123	51%	0.512	64%	0.642	S	S	.	*	H	α-helix	trans	-66.7	-27.8	174.5	0	0	0	0	0	113.5	S153 R154 I159	S153-A157 WeakPolarHBondContact O-CB 3.42Å; S153-A157 PolarHBondContact O-N 2.81Å; R154-A157 PolarHBondContact O-N 3.23Å; A157-I159 VanDerWaalsContact C-N 3.29Å
158	E	46.1	Very low	45.7	Very low	126 Å²	126	124.5 Å²	124.5	59%	0.589	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-15.5	172.6	-73.6	165.7	-169.7	0	0	112.6	R154 Q156	R154-E158 IonicContact NH2-OE1 3.9Å; R154-E158 WeakPolarHBondContact O-CB 3.43Å; R154-E158 WeakPolarHBondContact O-CG 3.48Å; R154-E158 PolarHBondContact O-N 3.48Å; Q156-E158 VanDerWaalsContact C-N 3.29Å; Q156-E158 PolarHBondContact O-N 2.82Å
159	I	50.3	Low	43.7	Very low	114 Å²	114	125.8 Å²	125.8	59%	0.585	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-28.9	177.4	-68.7	166.8	0	0	0	112.4	T155 Q156 A157 N161	T155-I159 HydrophobicContact CG2-CD1 4.5Å; T155-I159 VanDerWaalsContact O-CD1 3.29Å; T155-I159 WeakPolarHBondContact O-CD1 3.14Å; T155-I159 VanDerWaalsContact O-CG1 3.27Å; T155-I159 WeakPolarHBondContact O-CG1 3.42Å; T155-I159 PolarHBondContact O-N 2.7Å; Q156-I159 PolarHBondContact O-N 3.37Å; Q156-I159 VanDerWaalsContact O-N 3.07Å; A157-I159 VanDerWaalsContact C-N 3.29Å; I159-N161 VanDerWaalsContact C-N 3.32Å; I159-N161 PolarHBondContact O-N 2.76Å
160	E	41.1	Very low	42.5	Very low	140 Å²	140	124.3 Å²	124.3	65%	0.654	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-8.7	-178.7	-73.6	175.3	-176	0	0	114.1	Q156	Q156-E160 PolarHBondContact NE2-OE1 3.37Å; Q156-E160 PolarHBondContact O-N 2.8Å; Q156-E160 VanDerWaalsContact O-N 3.13Å
161	N	39.2	Very low	40.7	Very low	152 Å²	152	121.6 Å²	121.6	81%	0.813	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	-2.2	-175	-129	21.7	0	0	0	115.2	I159	I159-N161 VanDerWaalsContact C-N 3.32Å; I159-N161 PolarHBondContact O-N 2.76Å
162	E	40.4	Very low	38.9	Very low	173 Å²	173	117.3 Å²	117.3	81%	0.808	68%	0.679	S	S	*	*			trans	-117.9	66.3	176.7	-78.5	-121.1	118.3	0	0	111.4
163	N	31	Very low	37.2	Very low	154 Å²	154	119.5 Å²	119.5	82%	0.824	69%	0.693	S	S	*	*			trans	-143.8	85.7	170.5	-97	-55.9	0	0	0	114
164	G	26	Very low	35.5	Very low	72 Å²	72	120.9 Å²	120.9	74%	0.742	70%	0.703	S	S	*	*			trans	125	148.9	148.6	0	0	0	0	0	117.1
165	P	40.4	Very low	34	Very low	117 Å²	117	118 Å²	118	76%	0.76	71%	0.708	S	S	*	*			cis	-136.8	142	-30	35.3	-17.7	0	0	0	115.5
166	T	26.6	Very low	33.4	Very low	122 Å²	122	120.1 Å²	120.1	75%	0.748	72%	0.723	S	S	*	*			trans	41.8	126.4	131.9	-26.7	0	0	0	0	121.5
167	L	25.5	Very low	32.2	Very low	144 Å²	144	122.7 Å²	122.7	75%	0.754	74%	0.735	S	S	*	*				171.6	130.6	108.5	-88.2	169.9	0	0	0	116.8
168	L	26	Very low	31.2	Very low	135 Å²	135	126.6 Å²	126.6	71%	0.707	75%	0.753	S	S	*	*			trans	79.4	99.7	143.9	-60.6	164	0	0	0	123.4
169	D	22.3	Very low	30.2	Very low	146 Å²	146	126.7 Å²	126.7	78%	0.781	76%	0.757	S	S	*	*				49.2	159.3	114.8	-74.5	-21.5	0	0	0	124
170	P	38.5	Very low	28.9	Very low	114 Å²	114	127.9 Å²	127.9	74%	0.74	77%	0.774	S	S	*	*			cis	-140.4	175.3	-29.9	38.5	-20.1	0	0	0	115.9
171	A	25.2	Very low	28.1	Very low	107 Å²	107	128.8 Å²	128.8	88%	0.884	78%	0.783	S	S	*	*			trans	16.8	133.9	156.7	0	0	0	0	0	124.2
172	G	23.3	Very low	27.4	Very low	69 Å²	69	124.5 Å²	124.5	71%	0.711	78%	0.775	S	S	*	*			trans	164.9	120.7	150.2	0	0	0	0	0	120.2
173	T	22.9	Very low	26.6	Very low	135 Å²	135	123 Å²	123	83%	0.828	78%	0.777	S	S	*	*			trans	71	113	140.2	24.3	0	0	0	0	125.1
174	S	21.9	Very low	26.2	Very low	93 Å²	93	118.9 Å²	118.9	65%	0.65	77%	0.772	S	S	*	*				65.7	112.9	120.4	70.5	0	0	0	0	123.7
175	S	23.4	Very low	26.1	Very low	107 Å²	107	120.9 Å²	120.9	75%	0.748	78%	0.781	S	S	*	*				46	155.7	110.8	77.1	0	0	0	0	120.8
176	P	36.3	Very low	25.1	Very low	123 Å²	123	118.7 Å²	118.7	80%	0.799	78%	0.78	S	S	*	*			cis	-149	179.2	37.7	42	-19.8	0	0	0	119.6
177	E	23.6	Very low	25.7	Very low	172 Å²	172	119 Å²	119	80%	0.804	78%	0.783	S	S	*	*			trans	-86.2	-176.1	173.6	-58.1	172.1	113.1	0	0	112.1
178	T	25.4	Very low	25.6	Very low	144 Å²	144	117.8 Å²	117.8	88%	0.883	78%	0.782	S	S	*	*			trans	-145.8	126.8	154.5	-49.7	0	0	0	0	110.5
179	D	24.5	Very low	25.4	Very low	127 Å²	127	118.4 Å²	118.4	68%	0.679	78%	0.781	S	S	*	*			trans	-74.7	167.8	-173.7	-59.7	-81.6	0	0	0	115.8
180	C	24	Very low	25.4	Very low	139 Å²	139	121.5 Å²	121.5	94%	0.939	78%	0.782	S	S	*	*				-161.6	145.1	111.7	-95.6	0	0	0	0	112.7
181	L	24.5	Very low	24.6	Very low	160 Å²	160	124.1 Å²	124.1	84%	0.838	78%	0.784	S	S	*	*			trans	-135.8	157.4	-165.4	-140.2	148.1	0	0	0	110.9
182	G	24.2	Very low	24.5	Very low	62 Å²	62	126.8 Å²	126.8	64%	0.639	78%	0.782	S	S	*	*			trans	156.7	91.3	170.2	0	0	0	0	0	113.8
183	T	24.2	Very low	24.5	Very low	141 Å²	141	129.3 Å²	129.3	87%	0.865	78%	0.784	S	S	*	*				66.4	127.4	80.4	-45.4	0	0	0	0	113.7
184	G	21.6	Very low	24.4	Very low	68 Å²	68	128.2 Å²	128.2	70%	0.701	78%	0.782	S	S	*	*			cis	172.7	-170.5	-2.1	0	0	0	0	0	112.7
185	A	23.1	Very low	24.4	Very low	113 Å²	113	128.1 Å²	128.1	93%	0.934	79%	0.787	S	S	*	*			trans	78.1	141.7	168.5	0	0	0	0	0	121.7
186	G	20.5	Very low	24.4	Very low	72 Å²	72	129.2 Å²	129.2	74%	0.742	80%	0.795	S	S	*	*			trans	-111.8	-150.6	163.1	0	0	0	0	0	110.8
187	P	38.9	Very low	23.8	Very low	127 Å²	127	131.5 Å²	131.5	83%	0.825	80%	0.799	S	S	*	*			cis	-136.4	-149.7	-2.4	39	-16.8	0	0	0	114.1
188	V	22.8	Very low	24	Very low	120 Å²	120	129.3 Å²	129.3	73%	0.727	80%	0.8	S	S	*	*			trans	103.7	98.9	158.9	-168.2	0	0	0	0	120.6
189	E	22.3	Very low	23.8	Very low	148 Å²	148	126.3 Å²	126.3	69%	0.692	79%	0.79	S	S	*	*				31.4	126.6	117	-145.6	-171.2	-112.3	0	0	122.8
190	R	22.7	Very low	23.7	Very low	211 Å²	211	131.9 Å²	131.9	80%	0.796	80%	0.801	S	S	*	*				160.1	121.8	119	-86.3	169.5	-173.5	-172.5	-0.8	117.8
191	H	21.5	Very low	23.6	Very low	169 Å²	169	129.3 Å²	129.3	78%	0.782	79%	0.785	S	S	*	*			trans	11.7	131.6	131.6	-89.1	-89.9	0	0	0	122
192	L	23	Very low	23.4	Very low	162 Å²	162	130.7 Å²	130.7	85%	0.848	79%	0.787	S	S	*	*				178.9	171.9	104.6	-99.4	168.3	0	0	0	115.2
193	T	23.1	Very low	23.3	Very low	122 Å²	122	136.5 Å²	136.5	75%	0.748	80%	0.798	S	S	*	*			trans	-120.4	152.1	-160.4	50.6	0	0	0	0	115.7
194	S	21.5	Very low	23.9	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	79%	0.793	S	S	*	*			trans	-176.8	128.6	131.4	54.4	0	0	0	0	108.8
195	A	22.1	Very low	24	Very low	91 Å²	91	135.5 Å²	135.5	75%	0.752	79%	0.794	S	S	*	*				77.7	110	50.6	0	0	0	0	0	114.5
196	S	22.3	Very low	24.2	Very low	130 Å²	130	137.8 Å²	137.8	91%	0.909	79%	0.79	S	S	*	*			trans	-174.3	129	150.5	-79.6	0	0	0	0	111.9
197	L	25	Very low	24.4	Very low	170 Å²	170	141.7 Å²	141.7	89%	0.89	79%	0.794	S	S	*	*			trans	-116.9	148.2	164.7	-81.7	169.9	0	0	0	108.9
198	P	27.3	Very low	24	Very low	126 Å²	126	142.5 Å²	142.5	82%	0.818	79%	0.791	S	S	*	*				-144.1	177.7	104.8	25.9	-3.9	0	0	0	113.1
199	A	20.2	Very low	24.3	Very low	81 Å²	81	142.2 Å²	142.2	67%	0.669	79%	0.792	S	S	*	*			cis	-161.5	164.2	-6	0	0	0	0	0	112.7
200	W	22.6	Very low	24.4	Very low	244 Å²	244	139 Å²	139	92%	0.924	79%	0.791	S	S	*	*			trans	6.8	146.5	137.8	-49.8	70.3	0	0	0	119
201	S	21.7	Very low	24.5	Very low	85 Å²	85	137.9 Å²	137.9	59%	0.594	79%	0.792	S	S	*	*			cis	-170	167.8	16.9	-120.4	0	0	0	0	113.9
202	E	21.2	Very low	24.8	Very low	190 Å²	190	136.8 Å²	136.8	89%	0.888	79%	0.787	S	S	*	*			trans	77	146.7	148.5	-71.8	169.6	143.6	0	0	124.5
203	E	21.5	Very low	25	Very low	184 Å²	184	137 Å²	137	86%	0.86	78%	0.784	S	S	*	*			trans	-97.3	-162	-179.5	-68.5	-160.2	125.4	0	0	112.7
204	P	36.8	Very low	25	Very low	117 Å²	117	137.1 Å²	137.1	76%	0.76	79%	0.79	S	S	*	*				-123.7	167.3	-65.7	33.1	-18.2	0	0	0	112.7
205	G	23.8	Very low	25.4	Very low	71 Å²	71	136.8 Å²	136.8	73%	0.732	79%	0.794	S	S	*	*			trans	171.6	120.5	163.9	0	0	0	0	0	119.7
206	L	26.8	Very low	25.7	Very low	161 Å²	161	136 Å²	136	84%	0.843	80%	0.795	S	S	*	*			trans	69.5	107.7	146.8	-58.2	175.3	0	0	0	121.7
207	D	24.8	Very low	26.2	Very low	154 Å²	154	134.6 Å²	134.6	82%	0.824	79%	0.791	S	S	*	*			trans	56	127.4	136.8	-67.5	-49.7	0	0	0	124.2
208	N	30.7	Very low	26.3	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	79%	0.787	S	S	*	*			trans	-71.6	147.3	174.3	-174.5	27.4	0	0	0	111.7	A210	N208-A210 PolarHBondContact OD1-N 2.92Å; N208-A210 VanDerWaalsContact OD1-N 3.17Å
209	P	30.3	Very low	26.4	Very low	114 Å²	114	133.2 Å²	133.2	74%	0.74	78%	0.782	S	S	*	*				-149.9	139.7	97.4	35.7	-17.4	0	0	0	117
210	A	23.1	Very low	26.9	Very low	82 Å²	82	135.6 Å²	135.6	68%	0.678	79%	0.788	S	S	*	*			trans	62.2	128.7	139.5	0	0	0	0	0	121.5	N208	N208-A210 PolarHBondContact OD1-N 2.92Å; N208-A210 VanDerWaalsContact OD1-N 3.17Å
211	F	26	Very low	27.5	Very low	187 Å²	187	131.7 Å²	131.7	82%	0.82	78%	0.78	S	S	*	*			trans	56.7	129.1	138.9	-134.4	-124.8	0	0	0	117.5
212	E	26.6	Very low	28.1	Very low	146 Å²	146	136.1 Å²	136.1	68%	0.682	79%	0.792	S	S	*	*			cis	-162.9	155	41.8	-167.9	166.6	-154.9	0	0	111.7
213	E	27.3	Very low	29.1	Very low	165 Å²	165	131 Å²	131	77%	0.771	78%	0.775	S	S	*	*			trans	1.6	128	162.5	-160.7	163.7	-145	0	0	122.2
214	S	24.1	Very low	30.8	Very low	126 Å²	126	129.2 Å²	129.2	88%	0.881	77%	0.771	S	S	*	*			trans	-152.3	123.7	139.7	-82.9	0	0	0	0	110.8
215	A	30.1	Very low	32.1	Very low	105 Å²	105	128.3 Å²	128.3	87%	0.868	77%	0.767	S	S	*	*			trans	-78.6	132.5	-168.7	0	0	0	0	0	113.7
216	G	26.6	Very low	34.5	Very low	76 Å²	76	125.5 Å²	125.5	78%	0.784	74%	0.735	S	S	*	*			trans	-135.9	111	161.5	0	0	0	0	0	107.9	D218	G216-D218 PolarHBondContact O-N 3.02Å
217	A	33.5	Very low	36.6	Very low	99 Å²	99	120.6 Å²	120.6	82%	0.818	71%	0.713	S	S	*	*			trans	-79.6	121.1	-166.5	0	0	0	0	0	112.5
218	D	26.5	Very low	39	Very low	151 Å²	151	115.4 Å²	115.4	81%	0.807	68%	0.684	S	S	*	*			trans	-138	111	156.1	-145.1	-8.1	0	0	0	109	G216 T220	G216-D218 PolarHBondContact O-N 3.02Å; D218-T220 PolarHBondContact O-N 3.31Å; D218-T220 VanDerWaalsContact O-N 3.14Å
219	T	29.6	Very low	40.8	Very low	116 Å²	116	110.6 Å²	110.6	71%	0.712	67%	0.668	S	S	*	*			trans	-94.7	65.6	-160.2	-44.4	0	0	0	0	111.8	Q221	T219-Q221 HydrophobicContact CG2-CG 4.43Å; T219-Q221 PolarHBondContact O-N 3.39Å
220	T	31.4	Very low	43	Very low	131 Å²	131	110.9 Å²	110.9	80%	0.804	66%	0.66	S	S	*	*			trans	-70.5	94.6	165.6	52	0	0	0	0	109.4	D218 Q222	D218-T220 PolarHBondContact O-N 3.31Å; D218-T220 VanDerWaalsContact O-N 3.14Å; T220-Q222 PolarHBondContact O-N 3.37Å
221	Q	34.3	Very low	45.9	Very low	162 Å²	162	112.2 Å²	112.2	76%	0.757	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-57.7	121.8	176.7	-67	-180	-12.5	0	0	110.4	T219	T219-Q221 HydrophobicContact CG2-CG 4.43Å; T219-Q221 PolarHBondContact O-N 3.39Å
222	Q	36	Very low	48.7	Very low	179 Å²	179	104.3 Å²	104.3	84%	0.836	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-59.6	134.4	156.3	-79.3	-180	-29.4	0	0	108.1	T220 L224	T220-Q222 PolarHBondContact O-N 3.37Å; Q222-L224 PolarHBondContact O-N 2.73Å; Q222-L224 VanDerWaalsContact O-N 3.11Å
223	P	41.3	Very low	51.6	Low	83 Å²	83	101.8 Å²	101.8	54%	0.539	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-61.4	119.1	179	23.4	-31.9	0	0	0	109.9	S225 R276	P223-S225 PolarHBondContact O-N 3.1Å; P223-R276 HydrophobicContact CB-CG 3.85Å
224	L	56.4	Low	54.6	Low	146 Å²	146	94.2 Å²	94.2	76%	0.764	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-55.1	120.8	179.6	-78.1	152.3	0	0	0	110.2	Q222	Q222-L224 PolarHBondContact O-N 2.73Å; Q222-L224 VanDerWaalsContact O-N 3.11Å
225	S	65.6	Low	57.8	Low	98 Å²	98	92.9 Å²	92.9	69%	0.685	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-61.7	136.1	176.7	59.7	0	0	0	0	111	P223	P223-S225 PolarHBondContact O-N 3.1Å
226	L	74.3	Confident	60.6	Low	11 Å²	11	88.1 Å²	88.1	6%	0.058	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-59.4	129.9	-177.9	-57.4	177.8	0	0	0	112.4	I234 R276 L277 V314	L226-I234 HydrophobicContact CD2-CG2 3.61Å; L226-R276 HydrophobicContact CD2-CB 4.26Å; L226-R276 HydrophobicContact CG-CB 4.21Å; L226-L277 HydrophobicContact CD1-CD2 3.82Å; L226-V314 HydrophobicContact CD1-CG2 3.65Å
227	P	71.1	Confident	63.4	Low	58 Å²	58	90.6 Å²	90.6	38%	0.377	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-63.4	148	175.4	24.8	-35.6	0	0	0	113	E230 T232	P227-E230 HydrophobicContact CB-CB 4.39Å; P227-E230 HydrophobicContact CG-CB 4.2Å; P227-T232 HydrophobicContact CG-CG2 3.56Å
228	E	74.1	Confident	66	Low	45 Å²	45	86.4 Å²	86.4	21%	0.21	47%	0.474	C	S	.	.	B	Isolated β-bridge	trans	-92.6	124.8	-171.5	-74.8	-174.9	-161.2	0	0	113.8	E230 R316 R318 R319	E228-E230 VanDerWaalsContact C-N 3.3Å; E228-R316 HydrophobicContact CG-CG 4.17Å; E228-R318 HydrophobicContact CB-CG 4.41Å; E228-R318 PolarHBondContact O-NH1 3.25Å; E228-R319 IonicContact OE1-CZ 3.52Å; E228-R319 IonicContact OE1-NE 2.66Å; E228-R319 PolarHBondContact OE1-NE 2.94Å; E228-R319 IonicContact OE1-NH2 3.24Å; E228-R319 PolarHBondContact OE1-NH2 2.75Å; E228-R319 WeakPolarHBondContact OE2-CB 3.25Å; E228-R319 VanDerWaalsContact OE2-CG 3.24Å; E228-R319 WeakPolarHBondContact OE2-CG 3.31Å; E228-R319 PolarHBondContact OE2-N 3.48Å; E228-R319 IonicContact OE2-NE 3.2Å; E228-R319 PolarHBondContact OE2-NE 2.84Å
229	G	68.5	Low	68.6	Low	42 Å²	42	84.5 Å²	84.5	43%	0.433	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	5.4	-175.3	0	0	0	0	0	114.2	R316	G229-R316 PolarHBondContact N-O 2.87Å
230	E	77.1	Confident	71.2	Confident	121 Å²	121	82.6 Å²	82.6	57%	0.565	46%	0.458	S	S	*	.	S	Bend	trans	-106.7	144	175.3	-64	-170.4	165.6	0	0	110.8	P227 E228 T232 L315	P227-E230 HydrophobicContact CB-CB 4.39Å; P227-E230 HydrophobicContact CG-CB 4.2Å; E228-E230 VanDerWaalsContact C-N 3.3Å; E230-T232 HydrophobicContact CB-CG2 4.49Å; E230-L315 WeakPolarHBondContact O-CD1 3.21Å
231	I	84.1	Confident	73.7	Confident	110 Å²	110	77.9 Å²	77.9	56%	0.564	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.6	172.5	-62.1	175.4	0	0	0	107.4	L284 T313 L315	I231-L284 HydrophobicContact CD1-CD1 3.96Å; I231-L284 HydrophobicContact CG1-CD1 4Å; I231-L284 HydrophobicContact CG2-CD1 4.16Å; I231-T313 HydrophobicContact CG2-CG2 3.29Å; I231-L315 HydrophobicContact CG1-CD1 4.23Å
232	T	83.7	Confident	75.9	Confident	20 Å²	20	79.1 Å²	79.1	12%	0.123	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.8	-171.9	53.7	0	0	0	0	110	P227 E230 T313 V314	P227-T232 HydrophobicContact CG-CG2 3.56Å; E230-T232 HydrophobicContact CB-CG2 4.49Å; T232-T313 CarbonylContact O-C 3.45Å; T232-T313 VanDerWaalsContact O-CA 3.32Å; T232-T313 WeakPolarHBondContact O-CA 3.29Å; T232-V314 PolarHBondContact N-O 3.4Å; T232-V314 PolarHBondContact O-N 3.18Å; T232-V314 WeakPolarHBondContact OG1-CG2 3.46Å; T232-V314 PolarHBondContact OG1-O 3.45Å
233	T	87.9	Confident	78.2	Confident	93 Å²	93	74.3 Å²	74.3	57%	0.571	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.1	172.9	-55.3	0	0	0	0	108.7	H311 L312 T313	T233-H311 HydrophobicContact CG2-CB 4.44Å; T233-L312 CarbonylContact C-O 3.55Å; T233-L312 WeakPolarHBondContact CA-O 3.17Å; T233-T313 PolarHBondContact OG1-OG1 3.4Å
234	I	91	Very high	80.2	Confident	7 Å²	7	73.7 Å²	73.7	4%	0.036	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.8	173.5	58.3	175.9	0	0	0	110.7	L226 I236 L277 H311 L312	L226-I234 HydrophobicContact CD2-CG2 3.61Å; I234-I236 HydrophobicContact CD1-CD1 3.67Å; I234-I236 HydrophobicContact CD1-CG1 4.29Å; I234-I236 HydrophobicContact CG1-CD1 4.07Å; I234-L277 HydrophobicContact CD1-CD1 3.8Å; I234-L277 HydrophobicContact CD1-CD2 3.86Å; I234-L277 HydrophobicContact CD1-CG 3.59Å; I234-H311 CarbonylContact O-C 3.54Å; I234-H311 VanDerWaalsContact O-CA 3.31Å; I234-H311 WeakPolarHBondContact O-CA 3.37Å; I234-L312 HydrophobicContact CD1-CB 4.46Å; I234-L312 HydrophobicContact CG1-CB 3.93Å; I234-L312 WeakPolarHBondContact CG1-O 3.45Å; I234-L312 PolarHBondContact N-O 3.21Å; I234-L312 PolarHBondContact O-N 3.15Å
235	E	90.7	Very high	81.7	Confident	98 Å²	98	66.8 Å²	66.8	46%	0.458	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.4	172.9	-171.3	-169.5	148.5	0	0	109	H237 R276 T309 L310	E235-H237 IonicContact OE1-CE1 3.28Å; E235-H237 PolarHBondContact OE1-CE1 3.09Å; E235-H237 IonicContact OE1-ND1 3.47Å; E235-H237 PolarHBondContact OE1-ND1 2.64Å; E235-R276 PolarHBondContact O-NH2 3.25Å; E235-T309 HydrophobicContact CG-CG2 3.38Å; E235-T309 WeakPolarHBondContact OE1-CG2 3.48Å; E235-L310 CarbonylContact C-O 3.53Å; E235-L310 WeakPolarHBondContact CA-O 3.37Å
236	I	89	Confident	82.8	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.7	-178.1	-64.7	150.8	0	0	0	108.3	I234 V270 I271 D274 L277 L310 L312	I234-I236 HydrophobicContact CD1-CD1 3.67Å; I234-I236 HydrophobicContact CD1-CG1 4.29Å; I234-I236 HydrophobicContact CG1-CD1 4.07Å; I236-V270 HydrophobicContact CG2-CG1 3.65Å; I236-I271 HydrophobicContact CD1-CD1 3.58Å; I236-I271 HydrophobicContact CG2-CD1 4.48Å; I236-D274 HydrophobicContact CG1-CB 4.46Å; I236-L277 HydrophobicContact CD1-CD1 4.44Å; I236-L310 HydrophobicContact CB-CB 4.42Å; I236-L310 HydrophobicContact CD1-CD2 4.36Å; I236-L310 PolarHBondContact N-O 2.98Å; I236-L310 PolarHBondContact O-N 3.24Å; I236-L312 HydrophobicContact CD1-CD1 3.81Å; I236-L312 HydrophobicContact CD1-CG 4.32Å
237	H	86.5	Confident	83.7	Confident	129 Å²	129	62 Å²	62	60%	0.597	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.6	175.4	-92.9	79.9	0	0	0	111.1	E235 T309	E235-H237 IonicContact OE1-CE1 3.28Å; E235-H237 PolarHBondContact OE1-CE1 3.09Å; E235-H237 IonicContact OE1-ND1 3.47Å; E235-H237 PolarHBondContact OE1-ND1 2.64Å; H237-T309 PolarHBondContact NE2-OG1 2.81Å
238	R	86.3	Confident	84.7	Confident	11 Å²	11	59.2 Å²	59.2	4%	0.042	31%	0.312	C	S	.	.			trans	-97.6	127.7	172.8	-50.4	-165.7	-168.1	173.2	1.8	109.2	N240 P241 V270 L303 Q305 C307 N308	R238-N240 PolarHBondContact O-N 3.31Å; R238-P241 PolarHBondContact NH1-O 3.07Å; R238-V270 HydrophobicContact CG-CG1 4.48Å; R238-L303 PolarHBondContact NH2-O 2.85Å; R238-L303 VanDerWaalsContact NH2-O 3.1Å; R238-Q305 PolarHBondContact NH1-O 3.28Å; R238-C307 VanDerWaalsContact CD-O 3.31Å; R238-C307 WeakPolarHBondContact CD-O 3.35Å; R238-C307 VanDerWaalsContact CZ-SG 3.53Å; R238-N308 PolarHBondContact N-O 3.02Å
239	S	81.6	Confident	85.7	Confident	111 Å²	111	57 Å²	57	78%	0.776	30%	0.302	S	S	*	.	S	Bend	trans	-71.7	-16	175.4	56.3	0	0	0	0	113.8
240	N	83.9	Confident	86.9	Confident	76 Å²	76	55 Å²	55	41%	0.406	28%	0.282	S	S	.	.	S	Bend	trans	-143.1	123.5	172.6	175.5	-6.1	0	0	0	107.1	R238 Y242 I243	R238-N240 PolarHBondContact O-N 3.31Å; N240-Y242 PolarHBondContact O-N 2.61Å; N240-Y242 WeakPolarHBondContact OD1-CD2 3.43Å; N240-Y242 PolarHBondContact OD1-N 2.91Å; N240-I243 HydrophobicContact CB-CB 4.42Å; N240-I243 VanDerWaalsContact O-CG2 3.28Å; N240-I243 WeakPolarHBondContact O-CG2 3.33Å; N240-I243 PolarHBondContact O-N 2.76Å
241	P	83.6	Confident	87.6	Confident	32 Å²	32	49.3 Å²	49.3	21%	0.208	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-38.6	177.6	-30.1	35.7	0	0	0	114.4	R238 I243 P306 N308	R238-P241 PolarHBondContact NH1-O 3.07Å; P241-I243 VanDerWaalsContact C-N 3.34Å; P241-I243 PolarHBondContact O-N 2.69Å; P241-P306 HydrophobicContact CB-CB 3.69Å; P241-P306 WeakPolarHBondContact O-CA 3.21Å; P241-N308 VanDerWaalsContact CG-OD1 3.26Å; P241-N308 WeakPolarHBondContact CG-OD1 3.27Å
242	Y	81.1	Confident	87.7	Confident	188 Å²	188	44 Å²	44	74%	0.737	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-0	-171.1	-57.3	-83.2	0	0	0	114.1	N240 P306	N240-Y242 PolarHBondContact O-N 2.61Å; N240-Y242 WeakPolarHBondContact OD1-CD2 3.43Å; N240-Y242 PolarHBondContact OD1-N 2.91Å; Y242-P306 HydrophobicContact CD1-CB 3.88Å; Y242-P306 HydrophobicContact CD1-CG 4.38Å; Y242-P306 HydrophobicContact CE1-CB 3.88Å; Y242-P306 HydrophobicContact CE1-CG 4.06Å; Y242-P306 HydrophobicContact CG-CB 4.4Å
243	I	84.1	Confident	87.8	Confident	77 Å²	77	46 Å²	46	40%	0.395	24%	0.237	S	C	.	.	S	Bend	trans	-75.8	137.1	175.2	-155.3	171.8	0	0	0	109.9	N240 P241 V270	N240-I243 HydrophobicContact CB-CB 4.42Å; N240-I243 VanDerWaalsContact O-CG2 3.28Å; N240-I243 WeakPolarHBondContact O-CG2 3.33Å; N240-I243 PolarHBondContact O-N 2.76Å; P241-I243 VanDerWaalsContact C-N 3.34Å; P241-I243 PolarHBondContact O-N 2.69Å; I243-V270 HydrophobicContact CG2-CG2 3.54Å
244	Q	84.6	Confident	87.5	Confident	71 Å²	71	43.3 Å²	43.3	33%	0.332	22%	0.218	S	C	.	.			trans	-60.5	149.4	170.5	-70.2	177.5	-3.3	0	0	110.4	G246 S580 L689 V690	Q244-G246 PolarHBondContact O-N 3.44Å; Q244-S580 PolarHBondContact NE2-OG 3.22Å; Q244-L689 VanDerWaalsContact OE1-CD2 3.3Å; Q244-V690 WeakPolarHBondContact CA-OXT 3.25Å; Q244-V690 WeakPolarHBondContact CB-OXT 3.28Å
245	L	87.9	Confident	87.3	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.			trans	-64	-31.2	175.1	-64.7	-177.7	0	0	0	111.7	I247 G269 V270 I271 L303 L310 V690	L245-I247 HydrophobicContact CB-CG1 4.08Å; L245-I247 HydrophobicContact CD1-CD1 4.28Å; L245-G269 CarbonylContact O-C 3.57Å; L245-G269 WeakPolarHBondContact O-CA 3.31Å; L245-V270 PolarHBondContact O-N 3.13Å; L245-I271 HydrophobicContact CB-CD1 4.42Å; L245-I271 HydrophobicContact CB-CG1 3.84Å; L245-I271 HydrophobicContact CD2-CD1 4.12Å; L245-I271 HydrophobicContact CD2-CG1 4.41Å; L245-I271 PolarHBondContact O-N 2.88Å; L245-I271 VanDerWaalsContact O-N 3.14Å; L245-L303 HydrophobicContact CD1-CB 4.35Å; L245-L303 HydrophobicContact CD1-CD2 3.97Å; L245-L310 HydrophobicContact CD1-CD2 4.06Å; L245-L310 HydrophobicContact CD2-CD2 3.58Å; L245-L310 HydrophobicContact CG-CD2 4.49Å; L245-V690 CarbonylContact C-O 3.53Å; L245-V690 WeakPolarHBondContact CB-O 3.36Å; L245-V690 WeakPolarHBondContact CB-OXT 3.43Å; L245-V690 HydrophobicContact CD1-CG2 4.38Å; L245-V690 PolarHBondContact N-O 3.13Å; L245-V690 PolarHBondContact N-OXT 3.44Å
246	G	88.7	Confident	86.8	Confident	8 Å²	8	39.2 Å²	39.2	8%	0.082	20%	0.201	C	C	.	.			trans	75	42.5	-175.1	0	0	0	0	0	110.7	Q244 Y266 V690	Q244-G246 PolarHBondContact O-N 3.44Å; G246-Y266 WeakPolarHBondContact O-CD2 3.25Å; G246-Y266 PolarHBondContact O-N 3.37Å; G246-V690 PolarHBondContact N-O 2.78Å
247	I	92.4	Very high	86.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.9	169.7	62.8	177.7	0	0	0	110.5	L245 I249 I262 E264 V265 I271 I283 V690	L245-I247 HydrophobicContact CB-CG1 4.08Å; L245-I247 HydrophobicContact CD1-CD1 4.28Å; I247-I249 HydrophobicContact CD1-CG2 4.1Å; I247-I249 HydrophobicContact CG1-CG2 4.32Å; I247-I262 HydrophobicContact CB-CG2 4.4Å; I247-I262 HydrophobicContact CD1-CD1 4.22Å; I247-I262 HydrophobicContact CD1-CG1 4.3Å; I247-E264 CarbonylContact C-O 3.48Å; I247-E264 WeakPolarHBondContact CA-O 3.49Å; I247-V265 HydrophobicContact CG2-CB 4.38Å; I247-V265 HydrophobicContact CG2-CG1 4.2Å; I247-V265 HydrophobicContact CG2-CG2 4.03Å; I247-I271 HydrophobicContact CG2-CB 3.57Å; I247-I271 HydrophobicContact CG2-CG1 3.63Å; I247-I271 HydrophobicContact CG2-CG2 3.71Å; I247-I283 HydrophobicContact CD1-CD1 4.23Å; I247-V690 HydrophobicContact CD1-CG2 4.05Å; I247-V690 HydrophobicContact CG1-CG2 3.49Å; I247-V690 VanDerWaalsContact CG1-CG2 3.49Å; I247-V690 PolarHBondContact N-O 2.66Å; I247-V690 VanDerWaalsContact N-O 3.16Å; I247-V690 PolarHBondContact O-N 3.46Å
248	S	92.7	Very high	86.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.8	168.2	-173.7	0	0	0	0	109.2	Q263 E264 G687 S688	S248-Q263 PolarHBondContact O-N 2.91Å; S248-Q263 PolarHBondContact OG-OE1 2.98Å; S248-E264 PolarHBondContact N-O 2.76Å; S248-E264 PolarHBondContact O-N 3.12Å; S248-G687 WeakPolarHBondContact OG-CA 3.49Å; S248-G687 PolarHBondContact OG-N 3.43Å; S248-G687 VanDerWaalsContact OG-N 3.16Å; S248-G687 PolarHBondContact OG-O 3.36Å; S248-S688 WeakPolarHBondContact CA-O 3.49Å
249	I	94.4	Very high	86.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147	178.8	58.8	157.5	0	0	0	112.6	I247 I260 V261 I283 H296 R300 L303 G687 S688 V690	I247-I249 HydrophobicContact CD1-CG2 4.1Å; I247-I249 HydrophobicContact CG1-CG2 4.32Å; I249-I260 HydrophobicContact CB-CG2 4.3Å; I249-I260 HydrophobicContact CD1-CG2 4.2Å; I249-I260 HydrophobicContact CG2-CG2 4.41Å; I249-V261 WeakPolarHBondContact CA-O 3.46Å; I249-I283 HydrophobicContact CG2-CD1 4.29Å; I249-H296 PolarHBondContact O-CE1 2.88Å; I249-H296 VanDerWaalsContact O-CE1 3.32Å; I249-R300 HydrophobicContact CD1-CB 4.49Å; I249-L303 HydrophobicContact CD1-CD1 3.76Å; I249-L303 HydrophobicContact CG2-CD1 4.3Å; I249-G687 CarbonylContact O-C 3.52Å; I249-G687 WeakPolarHBondContact O-CA 3.41Å; I249-S688 WeakPolarHBondContact CG1-O 3.49Å; I249-S688 PolarHBondContact N-O 3.39Å; I249-S688 PolarHBondContact O-N 2.98Å; I249-V690 HydrophobicContact CD1-CG1 4.29Å; I249-V690 HydrophobicContact CG1-CG1 4.37Å; I249-V690 HydrophobicContact CG1-CG2 4.37Å; I249-V690 HydrophobicContact CG2-CG2 4.19Å
250	V	93.9	Very high	87.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	160.6	174.2	-64.6	0	0	0	0	110.2	L257 V261 Q263 W585 C647	V250-L257 HydrophobicContact CB-CD1 4.02Å; V250-L257 HydrophobicContact CG2-CD1 3.77Å; V250-V261 HydrophobicContact CG2-CB 4.19Å; V250-V261 PolarHBondContact N-O 3.27Å; V250-V261 PolarHBondContact O-N 3Å; V250-Q263 HydrophobicContact CG1-CB 3.92Å; V250-Q263 HydrophobicContact CG1-CG 4.35Å; V250-Q263 HydrophobicContact CG2-CB 4.2Å; V250-W585 HydrophobicContact CB-CD2 3.8Å; V250-W585 HydrophobicContact CB-CE3 3.98Å; V250-W585 HydrophobicContact CB-CG 4.28Å; V250-W585 HydrophobicContact CB-CH2 4.37Å; V250-W585 HydrophobicContact CB-CZ2 4.21Å; V250-W585 HydrophobicContact CB-CZ3 4.24Å; V250-W585 HydrophobicContact CG1-CD2 3.74Å; V250-W585 HydrophobicContact CG1-CE3 4.42Å; V250-W585 HydrophobicContact CG1-CG 3.77Å; V250-W585 HydrophobicContact CG1-CZ2 4.36Å; V250-C647 HydrophobicContact CG2-CB 4.33Å
251	G	90.9	Very high	87.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.			trans	114.3	-141.3	174.5	0	0	0	0	0	114.1	T255 N259 H296	G251-T255 WeakPolarHBondContact CA-OG1 3.35Å; G251-T255 VanDerWaalsContact O-CG2 3.24Å; G251-T255 WeakPolarHBondContact O-CG2 3.42Å; G251-T255 PolarHBondContact O-OG1 2.82Å; G251-N259 WeakPolarHBondContact CA-O 3.15Å; G251-H296 WeakPolarHBondContact O-CB 3.19Å; G251-H296 PolarHBondContact O-ND1 2.88Å
252	G	87	Confident	88.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.128	C	C	.	.			trans	101	153.4	-172.2	0	0	0	0	0	112.6	E254 T255 I258	G252-E254 WeakPolarHBondContact CA-OE2 3.15Å; G252-E254 PolarHBondContact O-N 2.91Å; G252-T255 PolarHBondContact O-N 2.94Å; G252-T255 PolarHBondContact O-OG1 3.17Å; G252-I258 CarbonylContact C-O 3.38Å; G252-I258 CarbonylContact O-C 3.57Å; G252-I258 VanDerWaalsContact O-CA 3.31Å; G252-I258 WeakPolarHBondContact O-CA 3.31Å; G252-I258 PolarHBondContact O-N 2.89Å
253	N	85	Confident	88.6	Confident	60 Å²	60	18.1 Å²	18.1	32%	0.321	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.3	-173.2	72.4	7.1	0	0	0	114.1	T255 I258 N293 V294	N253-T255 VanDerWaalsContact C-N 3.28Å; N253-I258 PolarHBondContact N-O 2.86Å; N253-N293 WeakPolarHBondContact CB-OD1 3.49Å; N253-N293 PolarHBondContact ND2-O 3.16Å; N253-V294 VanDerWaalsContact CG-C 3.43Å; N253-V294 PolarHBondContact N-O 3.28Å
254	E	83.1	Confident	88.8	Confident	38 Å²	38	17.4 Å²	17.4	18%	0.178	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.8	173	73.2	-84.1	-125.4	0	0	113	G252 S295 H296 V586	G252-E254 WeakPolarHBondContact CA-OE2 3.15Å; G252-E254 PolarHBondContact O-N 2.91Å; E254-S295 WeakPolarHBondContact OE1-CA 3.43Å; E254-S295 WeakPolarHBondContact OE1-CB 3.48Å; E254-S295 WeakPolarHBondContact OE2-CA 3.27Å; E254-H296 VanDerWaalsContact CD-N 3.33Å; E254-H296 WeakPolarHBondContact OE1-CB 3.32Å; E254-H296 PolarHBondContact OE1-N 2.58Å; E254-H296 PolarHBondContact OE2-N 2.85Å; E254-H296 VanDerWaalsContact OE2-N 3.07Å; E254-V586 HydrophobicContact CG-CG2 4.45Å
255	T	85.1	Confident	89.1	Confident	1 Å²	1	15.7 Å²	15.7	1%	0.006	8%	0.084	C	C	.	.	S	Bend	trans	-116.5	157.5	-176	77.8	0	0	0	0	112.1	G251 G252 N253 L257 I258 W585 V586 L589	G251-T255 WeakPolarHBondContact CA-OG1 3.35Å; G251-T255 VanDerWaalsContact O-CG2 3.24Å; G251-T255 WeakPolarHBondContact O-CG2 3.42Å; G251-T255 PolarHBondContact O-OG1 2.82Å; G252-T255 PolarHBondContact O-N 2.94Å; G252-T255 PolarHBondContact O-OG1 3.17Å; N253-T255 VanDerWaalsContact C-N 3.28Å; T255-L257 PolarHBondContact O-N 3.38Å; T255-I258 PolarHBondContact O-N 3.11Å; T255-W585 HydrophobicContact CG2-CE3 4.37Å; T255-W585 HydrophobicContact CG2-CZ3 3.77Å; T255-V586 HydrophobicContact CG2-CG2 4Å; T255-L589 HydrophobicContact CG2-CD1 4.44Å
256	P	81.6	Confident	89.1	Confident	18 Å²	18	19.8 Å²	19.8	12%	0.117	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.9	178.2	-28.1	38.5	0	0	0	115.5	L458 V616 Q626 F629	P256-L458 HydrophobicContact CG-CD1 4.07Å; P256-V616 HydrophobicContact CB-CG2 4.03Å; P256-V616 WeakPolarHBondContact O-CG2 3.48Å; P256-Q626 HydrophobicContact CG-CB 4.37Å; P256-F629 HydrophobicContact CB-CD2 4Å; P256-F629 HydrophobicContact CB-CE2 4.43Å; P256-F629 HydrophobicContact CG-CD2 3.89Å; P256-F629 HydrophobicContact CG-CE2 3.82Å
257	L	85.2	Confident	88.7	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.016	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-31.8	174	-66.4	179.9	0	0	0	112.4	V250 T255 N259 W585 V616 F629 K631	V250-L257 HydrophobicContact CB-CD1 4.02Å; V250-L257 HydrophobicContact CG2-CD1 3.77Å; T255-L257 PolarHBondContact O-N 3.38Å; L257-N259 PolarHBondContact O-N 3.15Å; L257-W585 HydrophobicContact CD1-CH2 3.44Å; L257-W585 VanDerWaalsContact CD1-CH2 3.44Å; L257-W585 HydrophobicContact CD1-CZ2 4.14Å; L257-W585 HydrophobicContact CD1-CZ3 3.88Å; L257-W585 HydrophobicContact CG-CH2 4.08Å; L257-V616 HydrophobicContact CD2-CG2 3.88Å; L257-F629 HydrophobicContact CD2-CB 4.26Å; L257-K631 HydrophobicContact CD2-CB 3.94Å; L257-K631 HydrophobicContact CD2-CG 3.97Å
258	I	83.8	Confident	88.2	Confident	59 Å²	59	37.8 Å²	37.8	30%	0.303	18%	0.177	S	C	.	.			trans	63.6	-50.4	-177	-53.8	172.1	0	0	0	114.1	G252 N253 T255	G252-I258 CarbonylContact C-O 3.38Å; G252-I258 CarbonylContact O-C 3.57Å; G252-I258 VanDerWaalsContact O-CA 3.31Å; G252-I258 WeakPolarHBondContact O-CA 3.31Å; G252-I258 PolarHBondContact O-N 2.89Å; N253-I258 PolarHBondContact N-O 2.86Å; T255-I258 PolarHBondContact O-N 3.11Å
259	N	88.6	Confident	87.8	Confident	38 Å²	38	38.2 Å²	38.2	20%	0.203	18%	0.182	C	C	.	.	S	Bend	trans	-84.9	152.3	-178.5	-59.8	1.9	0	0	0	110.6	G251 L257 V261 Q282	G251-N259 WeakPolarHBondContact CA-O 3.15Å; L257-N259 PolarHBondContact O-N 3.15Å; N259-V261 HydrophobicContact CB-CG2 4.48Å; N259-Q282 PolarHBondContact ND2-OE1 3.16Å
260	I	93.1	Very high	87.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	124.2	168.5	-57.3	-65.3	0	0	0	109	I249 Q282 I283 I291 A299	I249-I260 HydrophobicContact CB-CG2 4.3Å; I249-I260 HydrophobicContact CD1-CG2 4.2Å; I249-I260 HydrophobicContact CG2-CG2 4.41Å; I260-Q282 CarbonylContact O-C 3.17Å; I260-Q282 WeakPolarHBondContact O-CA 3.32Å; I260-I283 HydrophobicContact CG2-CB 4.37Å; I260-I283 HydrophobicContact CG2-CD1 4.45Å; I260-I283 PolarHBondContact O-N 3.39Å; I260-I291 HydrophobicContact CB-CD1 4.34Å; I260-I291 HydrophobicContact CG1-CD1 4.29Å; I260-I291 HydrophobicContact CG2-CD1 4.27Å; I260-A299 HydrophobicContact CD1-CB 3.36Å; I260-A299 HydrophobicContact CG1-CB 3.57Å; I260-A299 HydrophobicContact CG2-CB 4.48Å
261	V	92.9	Very high	87.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.4	-175.4	-169.6	0	0	0	0	110.1	I249 V250 N259 Q263 Q282 C647	I249-V261 WeakPolarHBondContact CA-O 3.46Å; V250-V261 HydrophobicContact CG2-CB 4.19Å; V250-V261 PolarHBondContact N-O 3.27Å; V250-V261 PolarHBondContact O-N 3Å; N259-V261 HydrophobicContact CB-CG2 4.48Å; V261-Q263 PolarHBondContact O-N 3.25Å; V261-Q282 HydrophobicContact CG2-CG 4.27Å; V261-C647 HydrophobicContact CG1-CB 4.37Å
262	I	92.9	Very high	87.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	114.9	170.7	-57.8	-176.5	0	0	0	108.6	I247 V265 L277 A279 G280 D281 I283	I247-I262 HydrophobicContact CB-CG2 4.4Å; I247-I262 HydrophobicContact CD1-CD1 4.22Å; I247-I262 HydrophobicContact CD1-CG1 4.3Å; I262-V265 HydrophobicContact CG2-CG2 3.76Å; I262-L277 HydrophobicContact CD1-CB 4.12Å; I262-L277 HydrophobicContact CD1-CD1 4.01Å; I262-L277 HydrophobicContact CD1-CD2 4.22Å; I262-L277 HydrophobicContact CD1-CG 4.36Å; I262-A279 WeakPolarHBondContact O-CA 3.35Å; I262-G280 PolarHBondContact O-N 2.65Å; I262-D281 HydrophobicContact CD1-CB 4.25Å; I262-D281 PolarHBondContact N-O 3.42Å; I262-I283 HydrophobicContact CD1-CD1 4.27Å; I262-I283 HydrophobicContact CD1-CG1 4.38Å; I262-I283 HydrophobicContact CG1-CD1 3.92Å; I262-I283 HydrophobicContact CG1-CG1 4.05Å
263	Q	92.2	Very high	87.2	Confident	8 Å²	8	50.2 Å²	50.2	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-43.2	173	-179.2	-176.6	72.4	0	0	111.3	S248 V250 V261 A279 K646 C647 W685	S248-Q263 PolarHBondContact O-N 2.91Å; S248-Q263 PolarHBondContact OG-OE1 2.98Å; V250-Q263 HydrophobicContact CG1-CB 3.92Å; V250-Q263 HydrophobicContact CG1-CG 4.35Å; V250-Q263 HydrophobicContact CG2-CB 4.2Å; V261-Q263 PolarHBondContact O-N 3.25Å; Q263-A279 VanDerWaalsContact O-CB 3.29Å; Q263-A279 WeakPolarHBondContact O-CB 3.47Å; Q263-K646 HydrophobicContact CG-CB 4.06Å; Q263-K646 HydrophobicContact CG-CD 4.3Å; Q263-C647 WeakPolarHBondContact CG-O 3.45Å; Q263-C647 PolarHBondContact NE2-O 3.14Å; Q263-W685 PolarHBondContact NE2-O 3Å; Q263-W685 VanDerWaalsContact NE2-O 3.08Å
264	E	89.6	Confident	87.3	Confident	61 Å²	61	49 Å²	49	29%	0.285	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.7	-174.8	-171.9	158.4	-148.2	0	0	111.7	I247 S248 K646	I247-E264 CarbonylContact C-O 3.48Å; I247-E264 WeakPolarHBondContact CA-O 3.49Å; S248-E264 PolarHBondContact N-O 2.76Å; S248-E264 PolarHBondContact O-N 3.12Å; E264-K646 IonicContact OE1-NZ 3.78Å; E264-K646 PolarHBondContact OE1-NZ 3.23Å; E264-K646 VanDerWaalsContact OE1-NZ 3.09Å; E264-K646 IonicContact OE2-NZ 3.39Å; E264-K646 PolarHBondContact OE2-NZ 2.81Å
265	V	90	Very high	87.4	Confident	35 Å²	35	49.3 Å²	49.3	21%	0.212	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.3	176.5	-178.3	0	0	0	0	107.9	I247 I262 I271 A272	I247-V265 HydrophobicContact CG2-CB 4.38Å; I247-V265 HydrophobicContact CG2-CG1 4.2Å; I247-V265 HydrophobicContact CG2-CG2 4.03Å; I262-V265 HydrophobicContact CG2-CG2 3.76Å; V265-I271 HydrophobicContact CG1-CB 4.35Å; V265-I271 HydrophobicContact CG1-CG2 4.08Å; V265-A272 HydrophobicContact CG1-CB 3.9Å
266	Y	88.9	Confident	87.4	Confident	87 Å²	87	51.8 Å²	51.8	34%	0.341	25%	0.252	S	S	.	.			trans	-84.9	135.3	-174.6	-65.4	-78.9	0	0	0	111.4	G246 D268 G269 A272 L689	G246-Y266 WeakPolarHBondContact O-CD2 3.25Å; G246-Y266 PolarHBondContact O-N 3.37Å; Y266-D268 PolarHBondContact O-N 2.83Å; Y266-G269 PolarHBondContact O-N 2.85Å; Y266-A272 WeakPolarHBondContact O-CB 3.44Å; Y266-L689 HydrophobicContact CD2-CD1 3.72Å; Y266-L689 HydrophobicContact CE2-CD1 3.43Å; Y266-L689 VanDerWaalsContact CE2-CD1 3.43Å
267	R	79.3	Confident	87.8	Confident	231 Å²	231	51 Å²	51	87%	0.872	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17	-163.7	-71.3	-176.1	176.1	169.3	-0.2	116.7
268	D	82.6	Confident	87.9	Confident	155 Å²	155	54.2 Å²	54.2	83%	0.829	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	1.1	178	-54.6	-67.6	0	0	0	113.2	Y266	Y266-D268 PolarHBondContact O-N 2.83Å
269	G	83.8	Confident	88.1	Confident	9 Å²	9	53.8 Å²	53.8	9%	0.093	27%	0.269	C	S	.	.	S	Bend	trans	-70.2	157.4	-179.4	0	0	0	0	0	113.8	L245 Y266 I271 A272 R273	L245-G269 CarbonylContact O-C 3.57Å; L245-G269 WeakPolarHBondContact O-CA 3.31Å; Y266-G269 PolarHBondContact O-N 2.85Å; G269-I271 PolarHBondContact O-N 3.16Å; G269-A272 PolarHBondContact O-N 3.34Å; G269-A272 VanDerWaalsContact O-N 3.12Å; G269-R273 WeakPolarHBondContact O-CG 3.35Å; G269-R273 PolarHBondContact O-N 3.32Å; G269-R273 VanDerWaalsContact O-N 3.09Å
270	V	88.6	Confident	87.9	Confident	18 Å²	18	52.4 Å²	52.4	11%	0.109	26%	0.263	C	S	.	.	H	α-helix	trans	-55.1	-40.1	174.3	-176.5	0	0	0	0	110.8	I236 R238 I243 L245 R273 D274	I236-V270 HydrophobicContact CG2-CG1 3.65Å; R238-V270 HydrophobicContact CG-CG1 4.48Å; I243-V270 HydrophobicContact CG2-CG2 3.54Å; L245-V270 PolarHBondContact O-N 3.13Å; V270-R273 PolarHBondContact O-N 2.8Å; V270-D274 PolarHBondContact O-N 2.87Å; V270-D274 VanDerWaalsContact O-N 3.16Å
271	I	90.1	Very high	87.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-36.5	179.7	-56.7	-53.9	0	0	0	112.4	I236 L245 I247 V265 G269 R273 D274 G275 L277 L312	I236-I271 HydrophobicContact CD1-CD1 3.58Å; I236-I271 HydrophobicContact CG2-CD1 4.48Å; L245-I271 HydrophobicContact CB-CD1 4.42Å; L245-I271 HydrophobicContact CB-CG1 3.84Å; L245-I271 HydrophobicContact CD2-CD1 4.12Å; L245-I271 HydrophobicContact CD2-CG1 4.41Å; L245-I271 PolarHBondContact O-N 2.88Å; L245-I271 VanDerWaalsContact O-N 3.14Å; I247-I271 HydrophobicContact CG2-CB 3.57Å; I247-I271 HydrophobicContact CG2-CG1 3.63Å; I247-I271 HydrophobicContact CG2-CG2 3.71Å; V265-I271 HydrophobicContact CG1-CB 4.35Å; V265-I271 HydrophobicContact CG1-CG2 4.08Å; G269-I271 PolarHBondContact O-N 3.16Å; I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.23Å; I271-D274 PolarHBondContact O-N 2.88Å; I271-G275 PolarHBondContact O-N 3.02Å; I271-L277 HydrophobicContact CD1-CD1 4.18Å; I271-L277 HydrophobicContact CG2-CB 3.6Å; I271-L277 HydrophobicContact CG2-CD1 3.66Å; I271-L277 HydrophobicContact CG2-CG 4.17Å; I271-L312 HydrophobicContact CD1-CD1 4.29Å
272	A	87.2	Confident	87.7	Confident	33 Å²	33	52.9 Å²	52.9	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-36.6	175.2	0	0	0	0	0	112.2	V265 Y266 G269 D274 G275	V265-A272 HydrophobicContact CG1-CB 3.9Å; Y266-A272 WeakPolarHBondContact O-CB 3.44Å; G269-A272 PolarHBondContact O-N 3.34Å; G269-A272 VanDerWaalsContact O-N 3.12Å; A272-D274 VanDerWaalsContact C-N 3.33Å; A272-G275 PolarHBondContact O-N 2.86Å
273	R	86.9	Confident	87.7	Confident	201 Å²	201	52.9 Å²	52.9	76%	0.758	27%	0.266	S	S	*	.	H	α-helix	trans	-69.3	-29.6	176.6	-67.2	179.6	65.1	-162.8	-2.7	113	G269 V270 I271	G269-R273 WeakPolarHBondContact O-CG 3.35Å; G269-R273 PolarHBondContact O-N 3.32Å; G269-R273 VanDerWaalsContact O-N 3.09Å; V270-R273 PolarHBondContact O-N 2.8Å; I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.23Å
274	D	87.8	Confident	87.6	Confident	33 Å²	33	53.9 Å²	53.9	18%	0.176	27%	0.271	C	S	.	.	H	α-helix	trans	-74.9	-38.9	171.4	-177.7	-92.4	0	0	0	112.3	I236 V270 I271 A272 R276	I236-D274 HydrophobicContact CG1-CB 4.46Å; V270-D274 PolarHBondContact O-N 2.87Å; V270-D274 VanDerWaalsContact O-N 3.16Å; I271-D274 PolarHBondContact O-N 2.88Å; A272-D274 VanDerWaalsContact C-N 3.33Å; D274-R276 PolarHBondContact O-N 2.88Å; D274-R276 VanDerWaalsContact O-N 3.12Å; D274-R276 VanDerWaalsContact OD1-CB 3.31Å; D274-R276 WeakPolarHBondContact OD1-CB 3.39Å; D274-R276 WeakPolarHBondContact OD1-CG 3.16Å; D274-R276 IonicContact OD1-CZ 3.96Å; D274-R276 PolarHBondContact OD1-N 3.03Å; D274-R276 IonicContact OD1-NE 2.69Å; D274-R276 PolarHBondContact OD1-NE 2.82Å; D274-R276 IonicContact OD1-NH2 3.41Å; D274-R276 PolarHBondContact OD1-NH2 2.93Å; D274-R276 IonicContact OD2-CZ 2.69Å; D274-R276 IonicContact OD2-NE 3.7Å; D274-R276 PolarHBondContact OD2-NE 2.86Å; D274-R276 IonicContact OD2-NH2 3.56Å; D274-R276 PolarHBondContact OD2-NH2 3.32Å
275	G	84.4	Confident	87.6	Confident	45 Å²	45	54.1 Å²	54.1	46%	0.464	27%	0.272	S	S	.	.			trans	73.8	-5.1	169.7	0	0	0	0	0	116.2	I271 A272	I271-G275 PolarHBondContact O-N 3.02Å; A272-G275 PolarHBondContact O-N 2.86Å
276	R	86.8	Confident	87.7	Confident	53 Å²	53	52.4 Å²	52.4	20%	0.2	26%	0.262	C	S	.	.			trans	-76.4	-37	180	-65.4	178.8	-72.8	-175.8	-5.5	113.1	P223 L226 E235 D274 R316	P223-R276 HydrophobicContact CB-CG 3.85Å; L226-R276 HydrophobicContact CD2-CB 4.26Å; L226-R276 HydrophobicContact CG-CB 4.21Å; E235-R276 PolarHBondContact O-NH2 3.25Å; D274-R276 PolarHBondContact O-N 2.88Å; D274-R276 VanDerWaalsContact O-N 3.12Å; D274-R276 VanDerWaalsContact OD1-CB 3.31Å; D274-R276 WeakPolarHBondContact OD1-CB 3.39Å; D274-R276 WeakPolarHBondContact OD1-CG 3.16Å; D274-R276 IonicContact OD1-CZ 3.96Å; D274-R276 PolarHBondContact OD1-N 3.03Å; D274-R276 IonicContact OD1-NE 2.69Å; D274-R276 PolarHBondContact OD1-NE 2.82Å; D274-R276 IonicContact OD1-NH2 3.41Å; D274-R276 PolarHBondContact OD1-NH2 2.93Å; D274-R276 IonicContact OD2-CZ 2.69Å; D274-R276 IonicContact OD2-NE 3.7Å; D274-R276 PolarHBondContact OD2-NE 2.86Å; D274-R276 IonicContact OD2-NH2 3.56Å; D274-R276 PolarHBondContact OD2-NH2 3.32Å; R276-R316 PolarHBondContact O-NH2 3.16Å
277	L	89.3	Confident	87.8	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	25%	0.254	C	S	.	.			trans	-84.5	145.7	-180	-68.9	174.5	0	0	0	112.4	L226 I234 I236 I262 I271 D281 L312 V314	L226-L277 HydrophobicContact CD1-CD2 3.82Å; I234-L277 HydrophobicContact CD1-CD1 3.8Å; I234-L277 HydrophobicContact CD1-CD2 3.86Å; I234-L277 HydrophobicContact CD1-CG 3.59Å; I236-L277 HydrophobicContact CD1-CD1 4.44Å; I262-L277 HydrophobicContact CD1-CB 4.12Å; I262-L277 HydrophobicContact CD1-CD1 4.01Å; I262-L277 HydrophobicContact CD1-CD2 4.22Å; I262-L277 HydrophobicContact CD1-CG 4.36Å; I271-L277 HydrophobicContact CD1-CD1 4.18Å; I271-L277 HydrophobicContact CG2-CB 3.6Å; I271-L277 HydrophobicContact CG2-CD1 3.66Å; I271-L277 HydrophobicContact CG2-CG 4.17Å; L277-D281 WeakPolarHBondContact CA-OD2 3.47Å; L277-D281 HydrophobicContact CD2-CB 4.37Å; L277-L312 HydrophobicContact CD1-CD1 3.65Å; L277-V314 HydrophobicContact CD2-CB 4.15Å; L277-V314 HydrophobicContact CD2-CG1 3.78Å; L277-V314 HydrophobicContact CD2-CG2 3.8Å
278	L	87.9	Confident	88	Confident	69 Å²	69	46 Å²	46	36%	0.361	25%	0.251	S	S	.	.			trans	-135	162.8	-180	-63	175.9	0	0	0	110.8	G280 D281 L635	L278-G280 PolarHBondContact O-N 3.3Å; L278-D281 PolarHBondContact N-OD2 3.06Å; L278-D281 WeakPolarHBondContact O-CB 3.48Å; L278-D281 PolarHBondContact O-N 3.05Å; L278-L635 HydrophobicContact CD1-CD1 4.03Å
279	A	87.6	Confident	88.3	Confident	50 Å²	50	42.1 Å²	42.1	41%	0.413	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	136.5	166.5	0	0	0	0	0	110.8	I262 Q263	I262-A279 WeakPolarHBondContact O-CA 3.35Å; Q263-A279 VanDerWaalsContact O-CB 3.29Å; Q263-A279 WeakPolarHBondContact O-CB 3.47Å
280	G	84.8	Confident	88.4	Confident	9 Å²	9	46.1 Å²	46.1	9%	0.093	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	-11.4	-174.1	0	0	0	0	0	115.1	I262 L278	I262-G280 PolarHBondContact O-N 2.65Å; L278-G280 PolarHBondContact O-N 3.3Å
281	D	89.4	Confident	88.5	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.011	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-69.1	137.3	173.7	-69.6	-23.6	0	0	0	111	I262 L277 L278 R316	I262-D281 HydrophobicContact CD1-CB 4.25Å; I262-D281 PolarHBondContact N-O 3.42Å; L277-D281 WeakPolarHBondContact CA-OD2 3.47Å; L277-D281 HydrophobicContact CD2-CB 4.37Å; L278-D281 PolarHBondContact N-OD2 3.06Å; L278-D281 WeakPolarHBondContact O-CB 3.48Å; L278-D281 PolarHBondContact O-N 3.05Å; D281-R316 WeakPolarHBondContact OD1-CB 3.24Å; D281-R316 WeakPolarHBondContact OD1-CG 3.37Å; D281-R316 IonicContact OD1-CZ 2.73Å; D281-R316 IonicContact OD1-NE 2.67Å; D281-R316 PolarHBondContact OD1-NE 3.33Å; D281-R316 IonicContact OD1-NH2 3.31Å; D281-R316 PolarHBondContact OD1-NH2 3.16Å; D281-R316 IonicContact OD2-CZ 3.38Å; D281-R316 IonicContact OD2-NE 2.78Å; D281-R316 IonicContact OD2-NH2 3.17Å; D281-R316 PolarHBondContact OD2-NH2 3.25Å
282	Q	90.7	Very high	88.2	Confident	9 Å²	9	47 Å²	47	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.2	180	-54.6	-177.8	12	0	0	109.8	N259 I260 V261 V314 L315	N259-Q282 PolarHBondContact ND2-OE1 3.16Å; I260-Q282 CarbonylContact O-C 3.17Å; I260-Q282 WeakPolarHBondContact O-CA 3.32Å; V261-Q282 HydrophobicContact CG2-CG 4.27Å; Q282-V314 CarbonylContact O-C 3.49Å; Q282-V314 WeakPolarHBondContact O-CA 3.31Å; Q282-V314 WeakPolarHBondContact O-CB 3.46Å; Q282-L315 HydrophobicContact CB-CB 4.47Å; Q282-L315 PolarHBondContact N-O 2.86Å; Q282-L315 PolarHBondContact O-N 3.02Å
283	I	93.2	Very high	88.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.7	178.3	-44.1	179	0	0	0	108.9	I247 I249 I260 I262 V286 I291 L303 L312 V314	I247-I283 HydrophobicContact CD1-CD1 4.23Å; I249-I283 HydrophobicContact CG2-CD1 4.29Å; I260-I283 HydrophobicContact CG2-CB 4.37Å; I260-I283 HydrophobicContact CG2-CD1 4.45Å; I260-I283 PolarHBondContact O-N 3.39Å; I262-I283 HydrophobicContact CD1-CD1 4.27Å; I262-I283 HydrophobicContact CD1-CG1 4.38Å; I262-I283 HydrophobicContact CG1-CD1 3.92Å; I262-I283 HydrophobicContact CG1-CG1 4.05Å; I283-V286 HydrophobicContact CG2-CG2 3.92Å; I283-I291 HydrophobicContact CB-CD1 4.1Å; I283-I291 HydrophobicContact CG2-CD1 3.78Å; I283-I291 HydrophobicContact CG2-CG1 4.29Å; I283-L303 HydrophobicContact CD1-CD1 4.11Å; I283-L303 HydrophobicContact CD1-CD2 4.16Å; I283-L312 HydrophobicContact CG2-CD2 4.38Å; I283-V314 HydrophobicContact CG1-CG1 4.37Å; I283-V314 HydrophobicContact CG2-CG1 4.35Å
284	L	89.9	Confident	88.1	Confident	29 Å²	29	42.1 Å²	42.1	15%	0.152	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-34.1	-175.3	-56.7	-179.5	0	0	0	112.5	I231 N290 I291 S292 T313 L315	I231-L284 HydrophobicContact CD1-CD1 3.96Å; I231-L284 HydrophobicContact CG1-CD1 4Å; I231-L284 HydrophobicContact CG2-CD1 4.16Å; L284-N290 PolarHBondContact O-OD1 2.79Å; L284-I291 PolarHBondContact O-N 3.22Å; L284-S292 PolarHBondContact O-N 3.31Å; L284-T313 PolarHBondContact N-O 3.36Å; L284-L315 HydrophobicContact CD1-CB 3.93Å; L284-L315 HydrophobicContact CG-CB 4.44Å
285	Q	90.8	Very high	88.2	Confident	65 Å²	65	42.7 Å²	42.7	30%	0.304	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.9	179.7	-160.1	-177.5	-51.2	0	0	110.3	N287 Y289 T313	Q285-N287 PolarHBondContact NE2-O 3.12Å; Q285-Y289 CarbonylContact C-O 3.52Å; Q285-Y289 WeakPolarHBondContact CA-O 3.34Å; Q285-Y289 WeakPolarHBondContact CG-O 3.49Å; Q285-T313 PolarHBondContact N-O 2.8Å; Q285-T313 PolarHBondContact O-N 3.05Å
286	V	92.3	Very high	88.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.8	176	-179.4	0	0	0	0	107.7	I283 N288 Y289 I291 V302 L303 L310 H311 L312	I283-V286 HydrophobicContact CG2-CG2 3.92Å; V286-N288 PolarHBondContact O-N 2.94Å; V286-N288 VanDerWaalsContact O-N 3.15Å; V286-Y289 PolarHBondContact N-O 2.93Å; V286-Y289 WeakPolarHBondContact O-CB 3.34Å; V286-Y289 PolarHBondContact O-N 2.97Å; V286-I291 HydrophobicContact CG2-CD1 3.49Å; V286-I291 VanDerWaalsContact CG2-CD1 3.49Å; V286-I291 HydrophobicContact CG2-CG1 3.98Å; V286-V302 HydrophobicContact CB-CG1 3.72Å; V286-V302 HydrophobicContact CG1-CG1 3.86Å; V286-V302 HydrophobicContact CG2-CG1 4.41Å; V286-L303 HydrophobicContact CG1-CD2 4.19Å; V286-L303 HydrophobicContact CG2-CD2 3.51Å; V286-L303 HydrophobicContact CG2-CG 3.92Å; V286-L310 HydrophobicContact CG1-CD1 3.76Å; V286-H311 CarbonylContact C-O 3.59Å; V286-H311 WeakPolarHBondContact CA-O 3.28Å; V286-L312 HydrophobicContact CB-CD2 4.28Å; V286-L312 HydrophobicContact CG1-CD2 4.03Å; V286-L312 HydrophobicContact CG2-CD2 3.8Å
287	N	89.9	Confident	88.6	Confident	30 Å²	30	39.5 Å²	39.5	16%	0.16	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-118	-167.9	-60	-35	0	0	0	109.9	Q285 H311	Q285-N287 PolarHBondContact NE2-O 3.12Å; N287-H311 PolarHBondContact N-O 2.81Å; N287-H311 PolarHBondContact OD1-N 2.91Å
288	N	85	Confident	88.6	Confident	154 Å²	154	42.9 Å²	42.9	82%	0.824	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.2	177.8	-63.2	-21.2	0	0	0	113.5	V286	V286-N288 PolarHBondContact O-N 2.94Å; V286-N288 VanDerWaalsContact O-N 3.15Å
289	Y	87.3	Confident	88.8	Confident	73 Å²	73	39.6 Å²	39.6	29%	0.286	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.4	-176.7	-59.1	-73.1	0	0	0	111.3	Q285 V286 V302	Q285-Y289 CarbonylContact C-O 3.52Å; Q285-Y289 WeakPolarHBondContact CA-O 3.34Å; Q285-Y289 WeakPolarHBondContact CG-O 3.49Å; V286-Y289 PolarHBondContact N-O 2.93Å; V286-Y289 WeakPolarHBondContact O-CB 3.34Å; V286-Y289 PolarHBondContact O-N 2.97Å; Y289-V302 HydrophobicContact CD2-CG1 3.98Å; Y289-V302 HydrophobicContact CG-CG1 4.2Å
290	N	87.1	Confident	88.9	Confident	93 Å²	93	38.8 Å²	38.8	50%	0.497	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.9	171.5	-173.1	-40.9	0	0	0	109.5	L284 S292 V294	L284-N290 PolarHBondContact O-OD1 2.79Å; N290-S292 WeakPolarHBondContact OD1-CB 3.34Å; N290-S292 PolarHBondContact OD1-N 2.56Å; N290-S292 PolarHBondContact OD1-OG 2.66Å; N290-V294 WeakPolarHBondContact O-CG1 3.32Å
291	I	90.9	Very high	89.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.			trans	-117.7	17	179.3	67.6	160.7	0	0	0	112.8	I260 I283 L284 V286 N293 V294 Y298 A299 V302 L303	I260-I291 HydrophobicContact CB-CD1 4.34Å; I260-I291 HydrophobicContact CG1-CD1 4.29Å; I260-I291 HydrophobicContact CG2-CD1 4.27Å; I283-I291 HydrophobicContact CB-CD1 4.1Å; I283-I291 HydrophobicContact CG2-CD1 3.78Å; I283-I291 HydrophobicContact CG2-CG1 4.29Å; L284-I291 PolarHBondContact O-N 3.22Å; V286-I291 HydrophobicContact CG2-CD1 3.49Å; V286-I291 VanDerWaalsContact CG2-CD1 3.49Å; V286-I291 HydrophobicContact CG2-CG1 3.98Å; I291-N293 VanDerWaalsContact C-N 3.31Å; I291-N293 PolarHBondContact O-N 3.33Å; I291-V294 HydrophobicContact CB-CG2 3.71Å; I291-V294 HydrophobicContact CG2-CG2 4.17Å; I291-Y298 HydrophobicContact CG2-CE1 4.47Å; I291-A299 HydrophobicContact CB-CB 4.41Å; I291-A299 HydrophobicContact CD1-CB 4.18Å; I291-V302 HydrophobicContact CG2-CB 4.35Å; I291-V302 HydrophobicContact CG2-CG1 4.14Å; I291-L303 HydrophobicContact CD1-CD1 4.15Å; I291-L303 HydrophobicContact CD1-CG 4.42Å
292	S	84.1	Confident	89.2	Confident	37 Å²	37	40.3 Å²	40.3	26%	0.259	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.5	-177.5	64.5	0	0	0	0	114.9	L284 N290	L284-S292 PolarHBondContact O-N 3.31Å; N290-S292 WeakPolarHBondContact OD1-CB 3.34Å; N290-S292 PolarHBondContact OD1-N 2.56Å; N290-S292 PolarHBondContact OD1-OG 2.66Å
293	N	84.9	Confident	89.2	Confident	105 Å²	105	39.9 Å²	39.9	56%	0.561	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-148.9	49.7	179.6	-173.3	58.4	0	0	0	111.3	N253 I291	N253-N293 WeakPolarHBondContact CB-OD1 3.49Å; N253-N293 PolarHBondContact ND2-O 3.16Å; I291-N293 VanDerWaalsContact C-N 3.31Å; I291-N293 PolarHBondContact O-N 3.33Å
294	V	86.6	Confident	88.9	Confident	26 Å²	26	42.7 Å²	42.7	16%	0.158	23%	0.231	C	C	.	.	S	Bend	trans	-115.7	169.3	179.7	-59.7	0	0	0	0	110.4	N253 N290 I291 Y298 A299	N253-V294 VanDerWaalsContact CG-C 3.43Å; N253-V294 PolarHBondContact N-O 3.28Å; N290-V294 WeakPolarHBondContact O-CG1 3.32Å; I291-V294 HydrophobicContact CB-CG2 3.71Å; I291-V294 HydrophobicContact CG2-CG2 4.17Å; V294-Y298 HydrophobicContact CB-CD1 3.69Å; V294-Y298 HydrophobicContact CB-CE1 4.38Å; V294-Y298 HydrophobicContact CB-CG 4.42Å; V294-Y298 HydrophobicContact CG1-CD1 3.84Å; V294-Y298 HydrophobicContact CG1-CE1 4.02Å; V294-Y298 HydrophobicContact CG2-CD1 3.81Å; V294-A299 HydrophobicContact CG2-CB 3.93Å
295	S	88.8	Confident	88.7	Confident	44 Å²	44	42.4 Å²	42.4	31%	0.308	23%	0.229	S	C	.	.			trans	-67.3	151.7	171.6	63	0	0	0	0	111.4	E254 N297 Y298 A299	E254-S295 WeakPolarHBondContact OE1-CA 3.43Å; E254-S295 WeakPolarHBondContact OE1-CB 3.48Å; E254-S295 WeakPolarHBondContact OE2-CA 3.27Å; S295-N297 VanDerWaalsContact C-N 3.29Å; S295-N297 PolarHBondContact O-N 3.42Å; S295-Y298 PolarHBondContact O-N 3.49Å; S295-Y298 VanDerWaalsContact O-N 3.13Å; S295-Y298 WeakPolarHBondContact OG-CB 3.33Å; S295-Y298 PolarHBondContact OG-N 3.44Å; S295-A299 PolarHBondContact O-N 3.06Å
296	H	89.5	Confident	88.5	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-40.7	178.6	-169.1	66.8	0	0	0	112.5	I249 G251 E254 A299 R300 W585 V586 S688	I249-H296 PolarHBondContact O-CE1 2.88Å; I249-H296 VanDerWaalsContact O-CE1 3.32Å; G251-H296 WeakPolarHBondContact O-CB 3.19Å; G251-H296 PolarHBondContact O-ND1 2.88Å; E254-H296 VanDerWaalsContact CD-N 3.33Å; E254-H296 WeakPolarHBondContact OE1-CB 3.32Å; E254-H296 PolarHBondContact OE1-N 2.58Å; E254-H296 PolarHBondContact OE2-N 2.85Å; E254-H296 VanDerWaalsContact OE2-N 3.07Å; H296-A299 PolarHBondContact O-N 2.93Å; H296-R300 WeakPolarHBondContact O-CB 3.43Å; H296-R300 PolarHBondContact O-N 2.89Å; H296-W585 WeakPolarHBondContact NE2-CB 3.33Å; H296-V586 HydrophobicContact CB-CG2 3.61Å; H296-S688 PolarHBondContact CD2-OG 3.15Å; H296-S688 PolarHBondContact NE2-OG 3.41Å
297	N	89.9	Confident	88.1	Confident	32 Å²	32	43 Å²	43	17%	0.171	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-40.9	175.7	-80.1	-0.9	0	0	0	112	S295 R300 A301 I557 E559	S295-N297 VanDerWaalsContact C-N 3.29Å; S295-N297 PolarHBondContact O-N 3.42Å; N297-R300 PolarHBondContact O-N 2.84Å; N297-A301 WeakPolarHBondContact O-CB 3.4Å; N297-A301 PolarHBondContact O-N 2.86Å; N297-I557 WeakPolarHBondContact ND2-CD1 3.45Å; N297-E559 PolarHBondContact ND2-OE1 3.2Å
298	Y	89.9	Confident	88	Confident	73 Å²	73	46.5 Å²	46.5	29%	0.286	26%	0.258	S	S	.	.	H	α-helix	trans	-65.6	-43.9	176.2	-178.8	-90.1	0	0	0	111.3	I291 V294 S295 R300 A301 V302	I291-Y298 HydrophobicContact CG2-CE1 4.47Å; V294-Y298 HydrophobicContact CB-CD1 3.69Å; V294-Y298 HydrophobicContact CB-CE1 4.38Å; V294-Y298 HydrophobicContact CB-CG 4.42Å; V294-Y298 HydrophobicContact CG1-CD1 3.84Å; V294-Y298 HydrophobicContact CG1-CE1 4.02Å; V294-Y298 HydrophobicContact CG2-CD1 3.81Å; S295-Y298 PolarHBondContact O-N 3.49Å; S295-Y298 VanDerWaalsContact O-N 3.13Å; S295-Y298 WeakPolarHBondContact OG-CB 3.33Å; S295-Y298 PolarHBondContact OG-N 3.44Å; Y298-R300 PolarHBondContact O-N 2.82Å; Y298-A301 PolarHBondContact O-N 3.34Å; Y298-V302 HydrophobicContact CD1-CG2 4.02Å; Y298-V302 HydrophobicContact CE1-CG2 3.64Å; Y298-V302 HydrophobicContact CE2-CG2 4.36Å; Y298-V302 WeakPolarHBondContact O-CG2 3.37Å; Y298-V302 PolarHBondContact O-N 2.98Å
299	A	91.4	Very high	88.2	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-43.9	174.3	0	0	0	0	0	112.3	I260 I291 V294 S295 H296 V302 L303	I260-A299 HydrophobicContact CD1-CB 3.36Å; I260-A299 HydrophobicContact CG1-CB 3.57Å; I260-A299 HydrophobicContact CG2-CB 4.48Å; I291-A299 HydrophobicContact CB-CB 4.41Å; I291-A299 HydrophobicContact CD1-CB 4.18Å; V294-A299 HydrophobicContact CG2-CB 3.93Å; S295-A299 PolarHBondContact O-N 3.06Å; H296-A299 PolarHBondContact O-N 2.93Å; A299-V302 PolarHBondContact O-N 3.08Å; A299-L303 WeakPolarHBondContact O-CB 3.4Å; A299-L303 WeakPolarHBondContact O-CD1 3.26Å; A299-L303 WeakPolarHBondContact O-CG 3.22Å; A299-L303 PolarHBondContact O-N 2.8Å
300	R	91.4	Very high	88.4	Confident	33 Å²	33	37.5 Å²	37.5	13%	0.125	22%	0.216	C	C	.	.	H	α-helix	trans	-57.4	-48.9	174.2	-172.2	-165.9	-174.2	172.4	9	111.1	I249 H296 N297 Y298 L303 S304 S582 V690	I249-R300 HydrophobicContact CD1-CB 4.49Å; H296-R300 WeakPolarHBondContact O-CB 3.43Å; H296-R300 PolarHBondContact O-N 2.89Å; N297-R300 PolarHBondContact O-N 2.84Å; Y298-R300 PolarHBondContact O-N 2.82Å; R300-L303 PolarHBondContact O-N 3.41Å; R300-S304 VanDerWaalsContact O-CB 3.31Å; R300-S304 WeakPolarHBondContact O-CB 3.31Å; R300-S304 PolarHBondContact O-N 2.94Å; R300-S304 PolarHBondContact O-OG 2.87Å; R300-S582 PolarHBondContact NH1-O 2.81Å; R300-S582 VanDerWaalsContact NH1-O 3.09Å; R300-S582 PolarHBondContact NH2-O 3Å; R300-S582 PolarHBondContact NH2-OG 2.78Å; R300-V690 HydrophobicContact CB-CG1 4.4Å; R300-V690 HydrophobicContact CG-CG1 3.65Å
301	A	88.9	Confident	88.6	Confident	43 Å²	43	36.7 Å²	36.7	36%	0.355	21%	0.209	S	C	.	.	H	α-helix	trans	-60.6	-46.7	179.6	0	0	0	0	0	111.5	N297 Y298 S304 Q305	N297-A301 WeakPolarHBondContact O-CB 3.4Å; N297-A301 PolarHBondContact O-N 2.86Å; Y298-A301 PolarHBondContact O-N 3.34Å; A301-S304 PolarHBondContact O-N 3.09Å; A301-Q305 WeakPolarHBondContact O-CG 3.03Å; A301-Q305 PolarHBondContact O-N 3.1Å
302	V	90.7	Very high	88.7	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-42.7	178.7	172.4	0	0	0	0	112.4	V286 Y289 I291 Y298 A299 S304 Q305	V286-V302 HydrophobicContact CB-CG1 3.72Å; V286-V302 HydrophobicContact CG1-CG1 3.86Å; V286-V302 HydrophobicContact CG2-CG1 4.41Å; Y289-V302 HydrophobicContact CD2-CG1 3.98Å; Y289-V302 HydrophobicContact CG-CG1 4.2Å; I291-V302 HydrophobicContact CG2-CB 4.35Å; I291-V302 HydrophobicContact CG2-CG1 4.14Å; Y298-V302 HydrophobicContact CD1-CG2 4.02Å; Y298-V302 HydrophobicContact CE1-CG2 3.64Å; Y298-V302 HydrophobicContact CE2-CG2 4.36Å; Y298-V302 WeakPolarHBondContact O-CG2 3.37Å; Y298-V302 PolarHBondContact O-N 2.98Å; A299-V302 PolarHBondContact O-N 3.08Å; V302-S304 VanDerWaalsContact C-N 3.33Å; V302-S304 PolarHBondContact O-N 2.72Å; V302-Q305 WeakPolarHBondContact O-CB 3.34Å; V302-Q305 PolarHBondContact O-N 2.83Å
303	L	90.1	Very high	89	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.3	-35.9	177.4	-77.3	159.2	0	0	0	112.6	R238 L245 I249 I283 V286 I291 A299 R300 Q305 L312 V690	R238-L303 PolarHBondContact NH2-O 2.85Å; R238-L303 VanDerWaalsContact NH2-O 3.1Å; L245-L303 HydrophobicContact CD1-CB 4.35Å; L245-L303 HydrophobicContact CD1-CD2 3.97Å; I249-L303 HydrophobicContact CD1-CD1 3.76Å; I249-L303 HydrophobicContact CG2-CD1 4.3Å; I283-L303 HydrophobicContact CD1-CD1 4.11Å; I283-L303 HydrophobicContact CD1-CD2 4.16Å; V286-L303 HydrophobicContact CG1-CD2 4.19Å; V286-L303 HydrophobicContact CG2-CD2 3.51Å; V286-L303 HydrophobicContact CG2-CG 3.92Å; I291-L303 HydrophobicContact CD1-CD1 4.15Å; I291-L303 HydrophobicContact CD1-CG 4.42Å; A299-L303 WeakPolarHBondContact O-CB 3.4Å; A299-L303 WeakPolarHBondContact O-CD1 3.26Å; A299-L303 WeakPolarHBondContact O-CG 3.22Å; A299-L303 PolarHBondContact O-N 2.8Å; R300-L303 PolarHBondContact O-N 3.41Å; L303-Q305 PolarHBondContact O-N 2.98Å; L303-L312 HydrophobicContact CD2-CD2 3.95Å; L303-V690 HydrophobicContact CB-CB 4.17Å; L303-V690 HydrophobicContact CB-CG1 4.28Å; L303-V690 HydrophobicContact CB-CG2 4.14Å; L303-V690 HydrophobicContact CD1-CG2 4.39Å
304	S	88.3	Confident	89.3	Confident	58 Å²	58	30.6 Å²	30.6	41%	0.406	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5	177.7	-50.5	0	0	0	0	113.6	R300 A301 V302	R300-S304 VanDerWaalsContact O-CB 3.31Å; R300-S304 WeakPolarHBondContact O-CB 3.31Å; R300-S304 PolarHBondContact O-N 2.94Å; R300-S304 PolarHBondContact O-OG 2.87Å; A301-S304 PolarHBondContact O-N 3.09Å; V302-S304 VanDerWaalsContact C-N 3.33Å; V302-S304 PolarHBondContact O-N 2.72Å
305	Q	85.4	Confident	89.3	Confident	23 Å²	23	31.3 Å²	31.3	11%	0.107	18%	0.177	C	C	.	.	S	Bend	trans	-61.6	135.2	179.4	-74.1	-178.7	6.3	0	0	111.4	R238 A301 V302 L303 C307 F572	R238-Q305 PolarHBondContact NH1-O 3.28Å; A301-Q305 WeakPolarHBondContact O-CG 3.03Å; A301-Q305 PolarHBondContact O-N 3.1Å; V302-Q305 WeakPolarHBondContact O-CB 3.34Å; V302-Q305 PolarHBondContact O-N 2.83Å; L303-Q305 PolarHBondContact O-N 2.98Å; Q305-C307 PolarHBondContact O-N 3.38Å; Q305-F572 HydrophobicContact CG-CE2 3.95Å; Q305-F572 HydrophobicContact CG-CZ 4.29Å
306	P	85.3	Confident	89.1	Confident	56 Å²	56	30.1 Å²	30.1	36%	0.364	17%	0.166	S	C	.	.			trans	-70.6	119.6	178.7	27.5	-32.9	0	0	0	110.7	P241 Y242	P241-P306 HydrophobicContact CB-CB 3.69Å; P241-P306 WeakPolarHBondContact O-CA 3.21Å; Y242-P306 HydrophobicContact CD1-CB 3.88Å; Y242-P306 HydrophobicContact CD1-CG 4.38Å; Y242-P306 HydrophobicContact CE1-CB 3.88Å; Y242-P306 HydrophobicContact CE1-CG 4.06Å; Y242-P306 HydrophobicContact CG-CB 4.4Å
307	C	85.7	Confident	88.2	Confident	22 Å²	22	33.4 Å²	33.4	15%	0.149	18%	0.181	C	C	.	.			trans	-146.1	143.2	176.7	54	0	0	0	0	111.5	R238 Q305	R238-C307 VanDerWaalsContact CD-O 3.31Å; R238-C307 WeakPolarHBondContact CD-O 3.35Å; R238-C307 VanDerWaalsContact CZ-SG 3.53Å; Q305-C307 PolarHBondContact O-N 3.38Å
308	N	86.6	Confident	86.9	Confident	103 Å²	103	40.1 Å²	40.1	55%	0.551	20%	0.204	S	C	*	.	S	Bend	trans	-70.6	-35.5	173.3	-72.1	-38.2	0	0	0	111.8	R238 P241	R238-N308 PolarHBondContact N-O 3.02Å; P241-N308 VanDerWaalsContact CG-OD1 3.26Å; P241-N308 WeakPolarHBondContact CG-OD1 3.27Å
309	T	89.8	Confident	85.5	Confident	39 Å²	39	43.3 Å²	43.3	24%	0.239	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	116.8	-175.2	-49	0	0	0	0	108.2	E235 H237	E235-T309 HydrophobicContact CG-CG2 3.38Å; E235-T309 WeakPolarHBondContact OE1-CG2 3.48Å; H237-T309 PolarHBondContact NE2-OG1 2.81Å
310	L	90.8	Very high	83.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.9	-178.5	179.2	73.8	0	0	0	109.5	E235 I236 L245 V286 L312	E235-L310 CarbonylContact C-O 3.53Å; E235-L310 WeakPolarHBondContact CA-O 3.37Å; I236-L310 HydrophobicContact CB-CB 4.42Å; I236-L310 HydrophobicContact CD1-CD2 4.36Å; I236-L310 PolarHBondContact N-O 2.98Å; I236-L310 PolarHBondContact O-N 3.24Å; L245-L310 HydrophobicContact CD1-CD2 4.06Å; L245-L310 HydrophobicContact CD2-CD2 3.58Å; L245-L310 HydrophobicContact CG-CD2 4.49Å; V286-L310 HydrophobicContact CG1-CD1 3.76Å; L310-L312 HydrophobicContact CD1-CD2 3.99Å; L310-L312 HydrophobicContact CD2-CD1 3.76Å; L310-L312 HydrophobicContact CD2-CD2 3.84Å; L310-L312 HydrophobicContact CD2-CG 3.69Å; L310-L312 HydrophobicContact CG-CD1 4.47Å; L310-L312 HydrophobicContact CG-CD2 3.85Å; L310-L312 HydrophobicContact CG-CG 3.85Å
311	H	91.9	Very high	80.8	Confident	75 Å²	75	52.6 Å²	52.6	35%	0.347	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.5	171.3	-57.2	75.4	0	0	0	108.7	T233 I234 V286 N287	T233-H311 HydrophobicContact CG2-CB 4.44Å; I234-H311 CarbonylContact O-C 3.54Å; I234-H311 VanDerWaalsContact O-CA 3.31Å; I234-H311 WeakPolarHBondContact O-CA 3.37Å; V286-H311 CarbonylContact C-O 3.59Å; V286-H311 WeakPolarHBondContact CA-O 3.28Å; N287-H311 PolarHBondContact N-O 2.81Å; N287-H311 PolarHBondContact OD1-N 2.91Å
312	L	93.5	Very high	77.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.1	174.8	-62	-179.8	0	0	0	109.3	T233 I234 I236 I271 L277 I283 V286 L303 L310 V314	T233-L312 CarbonylContact C-O 3.55Å; T233-L312 WeakPolarHBondContact CA-O 3.17Å; I234-L312 HydrophobicContact CD1-CB 4.46Å; I234-L312 HydrophobicContact CG1-CB 3.93Å; I234-L312 WeakPolarHBondContact CG1-O 3.45Å; I234-L312 PolarHBondContact N-O 3.21Å; I234-L312 PolarHBondContact O-N 3.15Å; I236-L312 HydrophobicContact CD1-CD1 3.81Å; I236-L312 HydrophobicContact CD1-CG 4.32Å; I271-L312 HydrophobicContact CD1-CD1 4.29Å; L277-L312 HydrophobicContact CD1-CD1 3.65Å; I283-L312 HydrophobicContact CG2-CD2 4.38Å; V286-L312 HydrophobicContact CB-CD2 4.28Å; V286-L312 HydrophobicContact CG1-CD2 4.03Å; V286-L312 HydrophobicContact CG2-CD2 3.8Å; L303-L312 HydrophobicContact CD2-CD2 3.95Å; L310-L312 HydrophobicContact CD1-CD2 3.99Å; L310-L312 HydrophobicContact CD2-CD1 3.76Å; L310-L312 HydrophobicContact CD2-CD2 3.84Å; L310-L312 HydrophobicContact CD2-CG 3.69Å; L310-L312 HydrophobicContact CG-CD1 4.47Å; L310-L312 HydrophobicContact CG-CD2 3.85Å; L310-L312 HydrophobicContact CG-CG 3.85Å; L312-V314 HydrophobicContact CB-CG1 4.06Å
313	T	89.6	Confident	75.2	Confident	15 Å²	15	68.1 Å²	68.1	9%	0.092	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	115.6	167.3	-57.8	0	0	0	0	108.5	I231 T232 T233 L284 Q285	I231-T313 HydrophobicContact CG2-CG2 3.29Å; T232-T313 CarbonylContact O-C 3.45Å; T232-T313 VanDerWaalsContact O-CA 3.32Å; T232-T313 WeakPolarHBondContact O-CA 3.29Å; T233-T313 PolarHBondContact OG1-OG1 3.4Å; L284-T313 PolarHBondContact N-O 3.36Å; Q285-T313 PolarHBondContact N-O 2.8Å; Q285-T313 PolarHBondContact O-N 3.05Å
314	V	91.8	Very high	72.4	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.6	-171.9	-60.5	0	0	0	0	112.1	L226 T232 L277 Q282 I283 L312	L226-V314 HydrophobicContact CD1-CG2 3.65Å; T232-V314 PolarHBondContact N-O 3.4Å; T232-V314 PolarHBondContact O-N 3.18Å; T232-V314 WeakPolarHBondContact OG1-CG2 3.46Å; T232-V314 PolarHBondContact OG1-O 3.45Å; L277-V314 HydrophobicContact CD2-CB 4.15Å; L277-V314 HydrophobicContact CD2-CG1 3.78Å; L277-V314 HydrophobicContact CD2-CG2 3.8Å; Q282-V314 CarbonylContact O-C 3.49Å; Q282-V314 WeakPolarHBondContact O-CA 3.31Å; Q282-V314 WeakPolarHBondContact O-CB 3.46Å; I283-V314 HydrophobicContact CG1-CG1 4.37Å; I283-V314 HydrophobicContact CG2-CG1 4.35Å; L312-V314 HydrophobicContact CB-CG1 4.06Å
315	L	86.3	Confident	70	Confident	40 Å²	40	77.2 Å²	77.2	21%	0.209	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117.3	174.2	173.6	64.4	0	0	0	109.3	E230 I231 Q282 L284	E230-L315 WeakPolarHBondContact O-CD1 3.21Å; I231-L315 HydrophobicContact CG1-CD1 4.23Å; Q282-L315 HydrophobicContact CB-CB 4.47Å; Q282-L315 PolarHBondContact N-O 2.86Å; Q282-L315 PolarHBondContact O-N 3.02Å; L284-L315 HydrophobicContact CD1-CB 3.93Å; L284-L315 HydrophobicContact CG-CB 4.44Å
316	R	83.7	Confident	67.2	Low	20 Å²	20	83.7 Å²	83.7	8%	0.075	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-86.7	120.8	168	-176.3	163.6	-70.7	163.2	2.6	109	E228 G229 R276 D281	E228-R316 HydrophobicContact CG-CG 4.17Å; G229-R316 PolarHBondContact N-O 2.87Å; R276-R316 PolarHBondContact O-NH2 3.16Å; D281-R316 WeakPolarHBondContact OD1-CB 3.24Å; D281-R316 WeakPolarHBondContact OD1-CG 3.37Å; D281-R316 IonicContact OD1-CZ 2.73Å; D281-R316 IonicContact OD1-NE 2.67Å; D281-R316 PolarHBondContact OD1-NE 3.33Å; D281-R316 IonicContact OD1-NH2 3.31Å; D281-R316 PolarHBondContact OD1-NH2 3.16Å; D281-R316 IonicContact OD2-CZ 3.38Å; D281-R316 IonicContact OD2-NE 2.78Å; D281-R316 IonicContact OD2-NH2 3.17Å; D281-R316 PolarHBondContact OD2-NH2 3.25Å
317	E	71.7	Confident	64.9	Low	69 Å²	69	88.4 Å²	88.4	32%	0.322	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-64	138.2	179.3	-168.2	167.8	-122.9	0	0	110.5	T632	E317-T632 VanDerWaalsContact OE2-CB 3.28Å; E317-T632 WeakPolarHBondContact OE2-CB 3.41Å; E317-T632 VanDerWaalsContact OE2-CG2 3.25Å; E317-T632 WeakPolarHBondContact OE2-CG2 3.42Å; E317-T632 PolarHBondContact OE2-OG1 3.29Å
318	R	63.1	Low	62.2	Low	172 Å²	172	92.6 Å²	92.6	65%	0.649	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-70.4	133.1	-173.9	-167.8	179.3	-175.8	95.4	-7.1	110.6	E228 F320	E228-R318 HydrophobicContact CB-CG 4.41Å; E228-R318 PolarHBondContact O-NH1 3.25Å; R318-F320 PolarHBondContact O-N 3.23Å
319	R	58.6	Low	59.5	Low	141 Å²	141	94.8 Å²	94.8	53%	0.532	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-51.9	126.9	172.2	-78.9	176.5	-131.4	-165.7	4.1	110.5	E228 G321 V634	E228-R319 IonicContact OE1-CZ 3.52Å; E228-R319 IonicContact OE1-NE 2.66Å; E228-R319 PolarHBondContact OE1-NE 2.94Å; E228-R319 IonicContact OE1-NH2 3.24Å; E228-R319 PolarHBondContact OE1-NH2 2.75Å; E228-R319 WeakPolarHBondContact OE2-CB 3.25Å; E228-R319 VanDerWaalsContact OE2-CG 3.24Å; E228-R319 WeakPolarHBondContact OE2-CG 3.31Å; E228-R319 PolarHBondContact OE2-N 3.48Å; E228-R319 IonicContact OE2-NE 3.2Å; E228-R319 PolarHBondContact OE2-NE 2.84Å; R319-G321 PolarHBondContact O-N 2.9Å; R319-V634 HydrophobicContact CG-CG1 4.37Å
320	F	46.6	Very low	57.1	Low	167 Å²	167	98 Å²	98	73%	0.732	50%	0.502	S	S	*	.			trans	-70.5	68.3	161	-74.1	-83.8	0	0	0	109.3	R318 N322	R318-F320 PolarHBondContact O-N 3.23Å; F320-N322 PolarHBondContact O-N 2.78Å
321	G	37.8	Very low	54.4	Low	60 Å²	60	105.6 Å²	105.6	62%	0.619	54%	0.542	S	S	*	.			trans	-71	121.6	-178.9	0	0	0	0	0	111.2	R319 R323	R319-G321 PolarHBondContact O-N 2.9Å; G321-R323 PolarHBondContact O-N 2.85Å
322	N	29.6	Very low	51.8	Low	126 Å²	126	107 Å²	107	67%	0.674	56%	0.56	S	S	*	*			trans	-50.3	127.7	155.2	-82.6	-8.4	0	0	0	108.2	F320 A324	F320-N322 PolarHBondContact O-N 2.78Å; N322-A324 PolarHBondContact O-N 2.97Å
323	R	33.8	Very low	49.5	Very low	244 Å²	244	112.6 Å²	112.6	92%	0.921	60%	0.597	S	S	*	*			trans	-66.8	90.2	162.9	-74.3	-174.4	180	176.1	2.3	108.1	G321 H325	G321-R323 PolarHBondContact O-N 2.85Å; R323-H325 PolarHBondContact O-N 3.47Å
324	A	29.9	Very low	47.6	Very low	89 Å²	89	123 Å²	123	74%	0.736	64%	0.635	S	S	*	*			trans	-58.7	129.3	161	0	0	0	0	0	107.8	N322 N326	N322-A324 PolarHBondContact O-N 2.97Å; A324-N326 PolarHBondContact O-N 3.47Å
325	H	38.3	Very low	46.3	Very low	160 Å²	160	127.5 Å²	127.5	74%	0.741	66%	0.655	S	S	*	*			trans	-65.8	104.9	174	-121.8	37.9	0	0	0	108.5	R323	R323-H325 PolarHBondContact O-N 3.47Å
326	N	27.8	Very low	45.7	Very low	159 Å²	159	131.8 Å²	131.8	85%	0.85	68%	0.675	S	S	*	*			trans	-131	101	153	-93.6	-17.5	0	0	0	106.6	A324 S328	A324-N326 PolarHBondContact O-N 3.47Å; N326-S328 PolarHBondContact O-N 2.95Å
327	H	36.8	Very low	45.6	Very low	155 Å²	155	136.1 Å²	136.1	72%	0.718	70%	0.698	S	S	*	*			trans	-71.7	119.3	168.5	-99.7	-92	0	0	0	108.9
328	S	29	Very low	46.2	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	69%	0.694	S	S	*	*			trans	-146	121.3	146.8	62.1	0	0	0	0	107.6	N326	N326-S328 PolarHBondContact O-N 2.95Å
329	D	30.1	Very low	47.1	Very low	148 Å²	148	132.8 Å²	132.8	79%	0.791	69%	0.689	S	S	*	*			trans	-59.3	144.7	-161.8	-55.6	-67	0	0	0	116
330	S	37.6	Very low	48.4	Very low	108 Å²	108	126.1 Å²	126.1	76%	0.755	66%	0.664	S	S	*	*				154.7	135.5	113.8	-165.9	0	0	0	0	112
331	N	35.1	Very low	50.3	Low	158 Å²	158	119.6 Å²	119.6	85%	0.845	64%	0.638	S	S	*	*			trans	73.6	66.3	-178.5	-68.5	-16.9	0	0	0	118.6
332	S	37.4	Very low	52.5	Low	104 Å²	104	117 Å²	117	73%	0.727	61%	0.609	S	S	*	*			trans	-85	147	141.2	55.9	0	0	0	0	110.2
333	P	45.3	Very low	55	Low	119 Å²	119	116.4 Å²	116.4	77%	0.773	60%	0.603	S	S	*	*			trans	-59.4	143.8	169.3	27.4	-34	0	0	0	109.8	E335	P333-E335 PolarHBondContact O-N 3Å; P333-E335 VanDerWaalsContact O-N 3.1Å
334	R	48.9	Very low	57.2	Low	234 Å²	234	105.3 Å²	105.3	88%	0.883	56%	0.561	S	S	*	*			trans	-71.1	106.4	-177.9	-67.8	-175.6	176.9	-162.3	-1.4	109.9
335	E	65.3	Low	59.3	Low	93 Å²	93	110.3 Å²	110.3	44%	0.435	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.5	130.7	163.8	-65.1	-177.4	165.5	0	0	108.9	P333 R386 A419	P333-E335 PolarHBondContact O-N 3Å; P333-E335 VanDerWaalsContact O-N 3.1Å; E335-R386 IonicContact OE1-NH1 2.78Å; E335-A419 HydrophobicContact CB-CB 4.39Å
336	E	72.9	Confident	61	Low	131 Å²	131	106.6 Å²	106.6	61%	0.612	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	116.4	171.1	-71.7	-170.3	155.4	0	0	109	A419 R420	E336-A419 WeakPolarHBondContact O-CA 3.38Å; E336-R420 PolarHBondContact N-O 2.82Å; E336-R420 PolarHBondContact O-N 3.06Å
337	I	82.4	Confident	62.8	Low	110 Å²	110	103 Å²	103	56%	0.564	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.5	178.1	-58	175.4	0	0	0	109.1	L388 T417 I418 A419	I337-L388 HydrophobicContact CD1-CD1 3.95Å; I337-L388 HydrophobicContact CG1-CD1 4.08Å; I337-L388 HydrophobicContact CG2-CD1 4.1Å; I337-T417 HydrophobicContact CG2-CG2 3.83Å; I337-I418 VanDerWaalsContact CA-O 3.28Å; I337-I418 WeakPolarHBondContact CA-O 3.28Å; I337-A419 HydrophobicContact CG1-CB 4.33Å
338	F	83.4	Confident	64.1	Low	55 Å²	55	98.4 Å²	98.4	24%	0.241	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	164.5	177.1	64.1	-82.3	0	0	0	111.5	V340 I418 R420	F338-V340 HydrophobicContact CD2-CG2 3.82Å; F338-V340 HydrophobicContact CE2-CG2 3.55Å; F338-I418 HydrophobicContact CE1-CB 4.12Å; F338-I418 HydrophobicContact CE1-CG2 3.78Å; F338-I418 HydrophobicContact CE2-CB 4.18Å; F338-I418 HydrophobicContact CE2-CG2 4.35Å; F338-I418 HydrophobicContact CZ-CB 3.92Å; F338-I418 HydrophobicContact CZ-CG2 3.63Å; F338-I418 PolarHBondContact N-O 3.46Å; F338-I418 PolarHBondContact O-N 2.73Å; F338-R420 HydrophobicContact CE1-CB 3.91Å
339	Q	81.8	Confident	66.3	Low	117 Å²	117	94.7 Å²	94.7	55%	0.547	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.3	179.4	-68.6	-173.5	5.5	0	0	111.2	N415 L416 T417	Q339-N415 PolarHBondContact OE1-ND2 3Å; Q339-L416 CarbonylContact C-O 3.58Å; Q339-L416 WeakPolarHBondContact CA-O 3.47Å; Q339-T417 HydrophobicContact CG-CG2 4.36Å
340	V	86.2	Confident	68.7	Low	0 Å²	0	94.9 Å²	94.9	0%	0	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.7	175.5	177.1	0	0	0	0	108.1	F338 L342 D378 R380 L381 L416	F338-V340 HydrophobicContact CD2-CG2 3.82Å; F338-V340 HydrophobicContact CE2-CG2 3.55Å; V340-L342 HydrophobicContact CG1-CD2 3.81Å; V340-L342 HydrophobicContact CG1-CG 4.06Å; V340-D378 WeakPolarHBondContact CG1-OD2 3.19Å; V340-R380 HydrophobicContact CG2-CB 3.78Å; V340-L381 HydrophobicContact CB-CD2 4.06Å; V340-L381 HydrophobicContact CB-CG 4.39Å; V340-L381 HydrophobicContact CG1-CD1 4.2Å; V340-L381 HydrophobicContact CG1-CD2 4.26Å; V340-L381 HydrophobicContact CG1-CG 4.04Å; V340-L381 HydrophobicContact CG2-CD2 3.78Å; V340-L381 HydrophobicContact CG2-CG 4.2Å; V340-L416 HydrophobicContact CB-CB 4.35Å; V340-L416 PolarHBondContact N-O 2.86Å; V340-L416 PolarHBondContact O-N 3.15Å
341	V	86	Confident	70.7	Confident	31 Å²	31	90 Å²	90	19%	0.188	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	111.3	175.9	179.8	0	0	0	0	107.8	R380 R413 V414 N415	V341-R380 PolarHBondContact O-NH2 3.06Å; V341-R380 VanDerWaalsContact O-NH2 3.13Å; V341-R413 HydrophobicContact CG1-CG 3.75Å; V341-R413 VanDerWaalsContact CG1-NE 3.34Å; V341-V414 WeakPolarHBondContact CA-O 3.25Å; V341-N415 HydrophobicContact CG2-CB 4.28Å
342	L	84.3	Confident	72.9	Confident	4 Å²	4	82.6 Å²	82.6	2%	0.021	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.5	173.4	-59	-178.4	0	0	0	109.6	V340 L351 I353 A375 D378 L381 V414 L416	V340-L342 HydrophobicContact CG1-CD2 3.81Å; V340-L342 HydrophobicContact CG1-CG 4.06Å; L342-L351 HydrophobicContact CB-CD2 3.98Å; L342-L351 HydrophobicContact CD1-CB 4.24Å; L342-L351 HydrophobicContact CD1-CD1 4.2Å; L342-L351 HydrophobicContact CD1-CD2 4.01Å; L342-L351 HydrophobicContact CD1-CG 4.38Å; L342-I353 HydrophobicContact CD1-CD1 4.14Å; L342-A375 HydrophobicContact CD1-CB 3.89Å; L342-D378 HydrophobicContact CD2-CB 3.41Å; L342-D378 VanDerWaalsContact CD2-CB 3.41Å; L342-D378 VanDerWaalsContact CD2-CG 3.47Å; L342-L381 HydrophobicContact CD1-CD1 3.97Å; L342-V414 PolarHBondContact N-O 2.89Å; L342-V414 PolarHBondContact O-N 3.27Å; L342-L416 HydrophobicContact CD1-CD1 3.8Å; L342-L416 HydrophobicContact CG-CD1 4.19Å
343	H	82.8	Confident	75.1	Confident	115 Å²	115	79 Å²	79	53%	0.532	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.8	176.6	-75.8	-100.4	0	0	0	109.3	E412	H343-E412 CarbonylContact C-O 3.53Å; H343-E412 VanDerWaalsContact CA-O 3.26Å; H343-E412 WeakPolarHBondContact CA-O 3.31Å
344	K	80.9	Confident	76.8	Confident	11 Å²	11	78.4 Å²	78.4	5%	0.048	38%	0.379	C	S	.	.			trans	-88.6	147	169.9	-56.3	178.3	-176.8	170.4	0	109.2	D346 S347 E349 L351 L374 I407 S410 E412	K344-D346 WeakPolarHBondContact CB-O 3.17Å; K344-D346 WeakPolarHBondContact CD-O 3.31Å; K344-S347 PolarHBondContact NZ-O 3.27Å; K344-S347 VanDerWaalsContact NZ-O 3.12Å; K344-E349 HydrophobicContact CB-CB 4.2Å; K344-E349 WeakPolarHBondContact CD-O 3.31Å; K344-E349 WeakPolarHBondContact CE-O 3.34Å; K344-L351 HydrophobicContact CG-CD2 4Å; K344-L374 HydrophobicContact CB-CD1 4.4Å; K344-L374 HydrophobicContact CG-CD1 4.17Å; K344-I407 PolarHBondContact NZ-O 3.36Å; K344-S410 PolarHBondContact NZ-O 3.01Å; K344-E412 PolarHBondContact N-O 3.49Å
345	R	73.6	Confident	78.5	Confident	193 Å²	193	68.7 Å²	68.7	73%	0.728	34%	0.344	S	S	*	.	S	Bend	trans	-76	-26.6	171.9	-65.7	179.6	-74.6	-167.4	-0.7	112.6	E349	R345-E349 WeakPolarHBondContact CB-OE2 3.43Å; R345-E349 IonicContact CZ-OE1 3.05Å; R345-E349 PolarHBondContact N-OE2 3.21Å; R345-E349 IonicContact NE-OE1 3.4Å; R345-E349 PolarHBondContact NE-OE1 3.13Å; R345-E349 IonicContact NE-OE2 3.83Å; R345-E349 IonicContact NH2-OE1 3.63Å; R345-E349 PolarHBondContact NH2-OE1 3Å
346	D	72.6	Confident	79.3	Confident	82 Å²	82	66.1 Å²	66.1	44%	0.439	34%	0.335	S	S	.	.	S	Bend	trans	-150.4	162	175.7	65.4	-91	0	0	0	110.2	K344 G348 E349	K344-D346 WeakPolarHBondContact CB-O 3.17Å; K344-D346 WeakPolarHBondContact CD-O 3.31Å; D346-G348 PolarHBondContact O-N 3.45Å; D346-G348 VanDerWaalsContact OD2-CA 3.32Å; D346-G348 WeakPolarHBondContact OD2-CA 3.44Å; D346-G348 PolarHBondContact OD2-N 3.44Å; D346-E349 PolarHBondContact O-N 2.84Å; D346-E349 PolarHBondContact OD2-N 2.84Å
347	S	66.5	Low	79.5	Confident	85 Å²	85	66.6 Å²	66.6	59%	0.594	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.2	-175.9	54.2	0	0	0	0	114.2	K344	K344-S347 PolarHBondContact NZ-O 3.27Å; K344-S347 VanDerWaalsContact NZ-O 3.12Å
348	G	64.4	Low	79.2	Confident	58 Å²	58	64.7 Å²	64.7	60%	0.598	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-15.7	178.7	0	0	0	0	0	114.6	D346 Q350	D346-G348 PolarHBondContact O-N 3.45Å; D346-G348 VanDerWaalsContact OD2-CA 3.32Å; D346-G348 WeakPolarHBondContact OD2-CA 3.44Å; D346-G348 PolarHBondContact OD2-N 3.44Å; G348-Q350 PolarHBondContact O-N 3.13Å
349	E	75.4	Confident	77.7	Confident	33 Å²	33	69.4 Å²	69.4	15%	0.154	35%	0.351	C	S	.	.			trans	-64.2	128.4	-178.9	-167.4	169.8	-140	0	0	111.9	K344 R345 D346 L374	K344-E349 HydrophobicContact CB-CB 4.2Å; K344-E349 WeakPolarHBondContact CD-O 3.31Å; K344-E349 WeakPolarHBondContact CE-O 3.34Å; R345-E349 WeakPolarHBondContact CB-OE2 3.43Å; R345-E349 IonicContact CZ-OE1 3.05Å; R345-E349 PolarHBondContact N-OE2 3.21Å; R345-E349 IonicContact NE-OE1 3.4Å; R345-E349 PolarHBondContact NE-OE1 3.13Å; R345-E349 IonicContact NE-OE2 3.83Å; R345-E349 IonicContact NH2-OE1 3.63Å; R345-E349 PolarHBondContact NH2-OE1 3Å; D346-E349 PolarHBondContact O-N 2.84Å; D346-E349 PolarHBondContact OD2-N 2.84Å; E349-L374 HydrophobicContact CG-CD1 3.96Å
350	Q	79.9	Confident	76.6	Confident	151 Å²	151	69.4 Å²	69.4	71%	0.706	36%	0.355	S	S	*	.			trans	-81.6	136.8	-180	-61.8	-175	9.3	0	0	110.6	G348 G352	G348-Q350 PolarHBondContact O-N 3.13Å; Q350-G352 PolarHBondContact O-N 2.98Å
351	L	79.9	Confident	75.7	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.026	37%	0.374	C	S	.	.			trans	-66.4	-17.7	177.4	-60	-179.3	0	0	0	113.5	L342 K344 I353 L374 A375 I407 V414	L342-L351 HydrophobicContact CB-CD2 3.98Å; L342-L351 HydrophobicContact CD1-CB 4.24Å; L342-L351 HydrophobicContact CD1-CD1 4.2Å; L342-L351 HydrophobicContact CD1-CD2 4.01Å; L342-L351 HydrophobicContact CD1-CG 4.38Å; K344-L351 HydrophobicContact CG-CD2 4Å; L351-I353 HydrophobicContact CB-CD1 3.97Å; L351-I353 HydrophobicContact CB-CG1 4Å; L351-I353 HydrophobicContact CD1-CD1 4.07Å; L351-L374 HydrophobicContact CD2-CD1 4.04Å; L351-L374 PolarHBondContact O-N 3.34Å; L351-A375 WeakPolarHBondContact O-CB 3.35Å; L351-A375 PolarHBondContact O-N 3.15Å; L351-I407 HydrophobicContact CD1-CB 4.42Å; L351-I407 HydrophobicContact CD1-CD1 4.17Å; L351-I407 HydrophobicContact CD1-CG1 4.04Å; L351-I407 HydrophobicContact CD1-CG2 3.53Å; L351-I407 HydrophobicContact CG-CG2 3.83Å; L351-V414 HydrophobicContact CD1-CB 4.12Å; L351-V414 HydrophobicContact CD1-CG1 3.98Å; L351-V414 HydrophobicContact CD1-CG2 4.14Å; L351-V414 HydrophobicContact CD2-CG2 4.19Å
352	G	81.2	Confident	74.6	Confident	4 Å²	4	75.8 Å²	75.8	4%	0.041	39%	0.389	C	S	.	.			trans	71.7	36.3	-174.9	0	0	0	0	0	113.7	Q350 L369 L370	Q350-G352 PolarHBondContact O-N 2.98Å; G352-L369 CarbonylContact O-C 3.58Å; G352-L369 WeakPolarHBondContact O-CA 3.36Å; G352-L370 PolarHBondContact O-N 3.37Å
353	I	84.4	Confident	74.5	Confident	27 Å²	27	75.6 Å²	75.6	14%	0.138	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.8	178.3	-52.8	172	0	0	0	109.1	L342 L351 L355 I366 L369 A375 L381 L416	L342-I353 HydrophobicContact CD1-CD1 4.14Å; L351-I353 HydrophobicContact CB-CD1 3.97Å; L351-I353 HydrophobicContact CB-CG1 4Å; L351-I353 HydrophobicContact CD1-CD1 4.07Å; I353-L355 HydrophobicContact CG2-CD2 3.57Å; I353-L355 HydrophobicContact CG2-CG 4.08Å; I353-I366 HydrophobicContact CG2-CB 4.41Å; I353-I366 HydrophobicContact CG2-CD1 3.96Å; I353-I366 HydrophobicContact CG2-CG1 3.85Å; I353-I366 HydrophobicContact CG2-CG2 3.95Å; I353-L369 HydrophobicContact CB-CD2 4.36Å; I353-L369 HydrophobicContact CG1-CD2 4.03Å; I353-L369 HydrophobicContact CG2-CD2 4.16Å; I353-A375 HydrophobicContact CD1-CB 3.88Å; I353-A375 HydrophobicContact CG1-CB 3.33Å; I353-L381 HydrophobicContact CD1-CD1 3.8Å; I353-L381 HydrophobicContact CG1-CD1 4.43Å; I353-L416 HydrophobicContact CD1-CD1 3.84Å
354	K	80.8	Confident	74.6	Confident	108 Å²	108	70.1 Å²	70.1	47%	0.47	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	110.3	172.6	-167.1	177.8	-174.5	-177.5	0	109.2	L367 D368	K354-L367 HydrophobicContact CB-CB 4.47Å; K354-L367 HydrophobicContact CD-CB 4.42Å; K354-L367 HydrophobicContact CD-CD2 3.79Å; K354-L367 HydrophobicContact CD-CG 4.23Å; K354-L367 HydrophobicContact CG-CB 4.3Å; K354-L367 HydrophobicContact CG-CD2 4.28Å; K354-L367 PolarHBondContact O-N 2.87Å; K354-D368 HydrophobicContact CB-CB 3.97Å; K354-D368 WeakPolarHBondContact CB-O 3.43Å; K354-D368 HydrophobicContact CD-CB 3.98Å; K354-D368 PolarHBondContact N-O 3.32Å
355	L	84	Confident	75	Confident	29 Å²	29	69.7 Å²	69.7	15%	0.152	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	139.9	-178.2	-61.2	176.5	0	0	0	111.3	I353 V364 F365 I366 V387 P400 A403 I407	I353-L355 HydrophobicContact CG2-CD2 3.57Å; I353-L355 HydrophobicContact CG2-CG 4.08Å; L355-V364 HydrophobicContact CB-CG1 3.9Å; L355-V364 HydrophobicContact CD1-CG1 4.16Å; L355-V364 HydrophobicContact CD2-CG1 4.04Å; L355-V364 HydrophobicContact CG-CG1 4.26Å; L355-F365 CarbonylContact C-O 3.59Å; L355-F365 WeakPolarHBondContact CA-O 3.21Å; L355-I366 HydrophobicContact CD2-CG1 4.1Å; L355-V387 HydrophobicContact CD2-CG2 4.01Å; L355-P400 HydrophobicContact CB-CB 3.88Å; L355-A403 HydrophobicContact CD1-CB 3.59Å; L355-I407 HydrophobicContact CD1-CD1 3.92Å
356	V	82.1	Confident	75.7	Confident	40 Å²	40	60.6 Å²	60.6	24%	0.242	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.1	176.1	-66.4	0	0	0	0	112.3	F365 L367	V356-F365 HydrophobicContact CG2-CB 4.34Å; V356-F365 PolarHBondContact N-O 3.04Å; V356-F365 PolarHBondContact O-N 3.03Å; V356-L367 HydrophobicContact CB-CB 4.36Å; V356-L367 HydrophobicContact CG1-CB 3.71Å; V356-L367 HydrophobicContact CG1-CD2 3.63Å; V356-L367 HydrophobicContact CG1-CG 4.23Å; V356-L367 HydrophobicContact CG2-CB 3.79Å
357	R	77.8	Confident	76.1	Confident	141 Å²	141	60.3 Å²	60.3	53%	0.532	32%	0.324	S	S	.	.			trans	-96.9	130.5	162	-163	-177.7	-148.4	168.9	9.6	108.3
358	R	74.9	Confident	76.8	Confident	69 Å²	69	59.7 Å²	59.7	26%	0.26	32%	0.315	S	S	.	.			trans	-88.4	162.8	171.1	-56.9	-179	174.6	160.3	0.4	111.1	D360 F365 N384	R358-D360 WeakPolarHBondContact CB-OD1 3.25Å; R358-D360 WeakPolarHBondContact CD-OD1 3.49Å; R358-F365 HydrophobicContact CB-CD2 4.27Å; R358-F365 HydrophobicContact CB-CE2 4.24Å; R358-F365 HydrophobicContact CG-CB 4.46Å; R358-F365 HydrophobicContact CG-CD2 3.68Å; R358-F365 HydrophobicContact CG-CE2 4.05Å; R358-F365 HydrophobicContact CG-CG 4.08Å; R358-N384 VanDerWaalsContact NH2-CB 3.28Å; R358-N384 VanDerWaalsContact NH2-CG 3.35Å; R358-N384 PolarHBondContact NH2-OD1 3.08Å
359	T	52.5	Low	77.7	Confident	155 Å²	155	58.4 Å²	58.4	95%	0.951	29%	0.294	S	S	*	.	S	Bend	trans	-95.2	-17	-179.5	47.1	0	0	0	0	113.4
360	D	58.1	Low	77.9	Confident	117 Å²	117	60.8 Å²	60.8	63%	0.626	31%	0.307	S	S	*	.	S	Bend	trans	-85.7	-40.1	176.3	55.1	-5.9	0	0	0	112.4	R358	R358-D360 WeakPolarHBondContact CB-OD1 3.25Å; R358-D360 WeakPolarHBondContact CD-OD1 3.49Å
361	E	66.8	Low	77.3	Confident	89 Å²	89	63.1 Å²	63.1	42%	0.416	32%	0.318	S	S	.	.	S	Bend	trans	-129.2	135.7	-176.4	-63.6	-162.1	147.4	0	0	114.1	G363 F365	E361-G363 PolarHBondContact O-N 2.99Å; E361-F365 HydrophobicContact CB-CE2 4.27Å; E361-F365 HydrophobicContact CB-CZ 3.83Å
362	P	64.4	Low	76.9	Confident	75 Å²	75	65.5 Å²	65.5	49%	0.487	34%	0.343	S	S	.	.	S	Bend	trans	-76.1	122.5	175.8	30.7	-33.2	0	0	0	111.2	R386 K396	P362-R386 PolarHBondContact O-NH2 3.41Å; P362-K396 CarbonylContact C-O 3.52Å
363	G	81.8	Confident	76.8	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	157.7	-177.4	174.1	0	0	0	0	0	111.7	E361 K396	E361-G363 PolarHBondContact O-N 2.99Å; G363-K396 VanDerWaalsContact CA-O 3.31Å; G363-K396 WeakPolarHBondContact CA-O 3.4Å
364	V	85.3	Confident	76.6	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.8	172.2	-173.4	0	0	0	0	108.8	L355 V387 L395 P400 A403	L355-V364 HydrophobicContact CB-CG1 3.9Å; L355-V364 HydrophobicContact CD1-CG1 4.16Å; L355-V364 HydrophobicContact CD2-CG1 4.04Å; L355-V364 HydrophobicContact CG-CG1 4.26Å; V364-V387 HydrophobicContact CB-CB 4.46Å; V364-V387 PolarHBondContact O-N 3.41Å; V364-L395 HydrophobicContact CG2-CB 4.38Å; V364-P400 HydrophobicContact CG1-CB 4.28Å; V364-A403 HydrophobicContact CG1-CB 4.09Å; V364-A403 HydrophobicContact CG2-CB 4.41Å
365	F	89.7	Confident	76.7	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.013	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.2	-177.8	-62.2	-95.3	0	0	0	110.5	L355 V356 R358 E361 L367 D385 R386	L355-F365 CarbonylContact C-O 3.59Å; L355-F365 WeakPolarHBondContact CA-O 3.21Å; V356-F365 HydrophobicContact CG2-CB 4.34Å; V356-F365 PolarHBondContact N-O 3.04Å; V356-F365 PolarHBondContact O-N 3.03Å; R358-F365 HydrophobicContact CB-CD2 4.27Å; R358-F365 HydrophobicContact CB-CE2 4.24Å; R358-F365 HydrophobicContact CG-CB 4.46Å; R358-F365 HydrophobicContact CG-CD2 3.68Å; R358-F365 HydrophobicContact CG-CE2 4.05Å; R358-F365 HydrophobicContact CG-CG 4.08Å; E361-F365 HydrophobicContact CB-CE2 4.27Å; E361-F365 HydrophobicContact CB-CZ 3.83Å; F365-L367 PolarHBondContact O-N 2.91Å; F365-D385 WeakPolarHBondContact CA-O 3.26Å; F365-R386 HydrophobicContact CD1-CB 3.87Å; F365-R386 HydrophobicContact CD1-CG 4.02Å; F365-R386 HydrophobicContact CE1-CB 3.78Å; F365-R386 HydrophobicContact CE1-CG 3.67Å; F365-R386 HydrophobicContact CZ-CG 4.1Å
366	I	87.1	Confident	76.5	Confident	1 Å²	1	61 Å²	61	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	114.5	168.9	-57.7	-173.8	0	0	0	107.5	I353 L355 L369 L381 N384 D385 V387 I418	I353-I366 HydrophobicContact CG2-CB 4.41Å; I353-I366 HydrophobicContact CG2-CD1 3.96Å; I353-I366 HydrophobicContact CG2-CG1 3.85Å; I353-I366 HydrophobicContact CG2-CG2 3.95Å; L355-I366 HydrophobicContact CD2-CG1 4.1Å; I366-L369 HydrophobicContact CG2-CD2 3.79Å; I366-L369 HydrophobicContact CG2-CG 4.35Å; I366-L381 HydrophobicContact CD1-CB 4.15Å; I366-L381 HydrophobicContact CD1-CD1 4.45Å; I366-L381 HydrophobicContact CD1-CD2 3.97Å; I366-L381 HydrophobicContact CD1-CG 4.41Å; I366-N384 WeakPolarHBondContact O-CA 3.2Å; I366-N384 PolarHBondContact O-N 3.03Å; I366-D385 HydrophobicContact CB-CB 4.4Å; I366-D385 HydrophobicContact CD1-CB 4.06Å; I366-D385 HydrophobicContact CG1-CB 4.28Å; I366-D385 PolarHBondContact N-O 2.88Å; I366-V387 HydrophobicContact CD1-CG2 4.45Å; I366-V387 HydrophobicContact CG1-CG2 3.95Å; I366-I418 HydrophobicContact CD1-CD1 4.48Å
367	L	81.9	Confident	76.2	Confident	76 Å²	76	65.5 Å²	65.5	40%	0.398	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-43.4	170	176.6	58.4	0	0	0	110.6	K354 V356 F365 S383	K354-L367 HydrophobicContact CB-CB 4.47Å; K354-L367 HydrophobicContact CD-CB 4.42Å; K354-L367 HydrophobicContact CD-CD2 3.79Å; K354-L367 HydrophobicContact CD-CG 4.23Å; K354-L367 HydrophobicContact CG-CB 4.3Å; K354-L367 HydrophobicContact CG-CD2 4.28Å; K354-L367 PolarHBondContact O-N 2.87Å; V356-L367 HydrophobicContact CB-CB 4.36Å; V356-L367 HydrophobicContact CG1-CB 3.71Å; V356-L367 HydrophobicContact CG1-CD2 3.63Å; V356-L367 HydrophobicContact CG1-CG 4.23Å; V356-L367 HydrophobicContact CG2-CB 3.79Å; F365-L367 PolarHBondContact O-N 2.91Å; L367-S383 WeakPolarHBondContact O-CB 3.31Å; L367-S383 PolarHBondContact O-OG 3.49Å
368	D	81	Confident	76.4	Confident	73 Å²	73	61.2 Å²	61.2	39%	0.39	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	160.4	-169.6	-157.7	8.3	0	0	0	111.8	K354	K354-D368 HydrophobicContact CB-CB 3.97Å; K354-D368 WeakPolarHBondContact CB-O 3.43Å; K354-D368 HydrophobicContact CD-CB 3.98Å; K354-D368 PolarHBondContact N-O 3.32Å
369	L	83.3	Confident	76.5	Confident	30 Å²	30	60.5 Å²	60.5	16%	0.157	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126	172.9	-60.7	-177.6	0	0	0	109.2	G352 I353 I366 E371 A375 A376 L381	G352-L369 CarbonylContact O-C 3.58Å; G352-L369 WeakPolarHBondContact O-CA 3.36Å; I353-L369 HydrophobicContact CB-CD2 4.36Å; I353-L369 HydrophobicContact CG1-CD2 4.03Å; I353-L369 HydrophobicContact CG2-CD2 4.16Å; I366-L369 HydrophobicContact CG2-CD2 3.79Å; I366-L369 HydrophobicContact CG2-CG 4.35Å; L369-E371 PolarHBondContact O-N 2.88Å; L369-A375 HydrophobicContact CD2-CB 3.85Å; L369-A376 HydrophobicContact CB-CB 4.24Å; L369-L381 HydrophobicContact CD1-CB 3.98Å; L369-L381 WeakPolarHBondContact CD1-O 3.46Å; L369-L381 HydrophobicContact CD2-CB 4.33Å
370	L	78.1	Confident	77.7	Confident	84 Å²	84	58.1 Å²	58.1	44%	0.44	33%	0.326	S	S	.	.			trans	-69.4	127.5	-179.1	-57.8	-176.4	0	0	0	110	G352 G372 G373 A376	G352-L370 PolarHBondContact O-N 3.37Å; L370-G372 PolarHBondContact O-N 2.88Å; L370-G373 PolarHBondContact O-N 2.96Å; L370-A376 WeakPolarHBondContact O-CB 3.5Å
371	E	68.8	Low	78.9	Confident	200 Å²	200	52.8 Å²	52.8	94%	0.935	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	127.3	178.6	-167.1	172.7	-165.1	0	0	110.8	L369 G373	L369-E371 PolarHBondContact O-N 2.88Å; E371-G373 VanDerWaalsContact C-N 3.3Å; E371-G373 PolarHBondContact O-N 3.32Å
372	G	70	Confident	79.7	Confident	54 Å²	54	51 Å²	51	56%	0.557	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-5.4	-173.7	0	0	0	0	0	116.1	L370 Q377	L370-G372 PolarHBondContact O-N 2.88Å; G372-Q377 PolarHBondContact O-NE2 2.79Å
373	G	80.4	Confident	80.5	Confident	13 Å²	13	50 Å²	50	13%	0.134	29%	0.289	C	S	.	.	S	Bend	trans	-74.8	158	175.4	0	0	0	0	0	114	L370 E371 A375 A376 Q377	L370-G373 PolarHBondContact O-N 2.96Å; E371-G373 VanDerWaalsContact C-N 3.3Å; E371-G373 PolarHBondContact O-N 3.32Å; G373-A375 VanDerWaalsContact C-N 3.26Å; G373-A375 PolarHBondContact O-N 3.16Å; G373-A376 WeakPolarHBondContact O-CB 3.48Å; G373-A376 PolarHBondContact O-N 2.86Å; G373-Q377 WeakPolarHBondContact O-CG 3.42Å; G373-Q377 PolarHBondContact O-N 3Å
374	L	79.6	Confident	80.4	Confident	21 Å²	21	54.7 Å²	54.7	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-53.6	-39.3	-176.1	-66.3	170.1	0	0	0	113.7	K344 E349 L351 Q377 D378	K344-L374 HydrophobicContact CB-CD1 4.4Å; K344-L374 HydrophobicContact CG-CD1 4.17Å; E349-L374 HydrophobicContact CG-CD1 3.96Å; L351-L374 HydrophobicContact CD2-CD1 4.04Å; L351-L374 PolarHBondContact O-N 3.34Å; L374-Q377 PolarHBondContact O-N 3.29Å; L374-D378 WeakPolarHBondContact O-CB 3.46Å; L374-D378 PolarHBondContact O-N 3.27Å
375	A	83.5	Confident	80.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-69.2	-33.9	177.9	0	0	0	0	0	113.5	L342 L351 I353 L369 G373 G379 L381	L342-A375 HydrophobicContact CD1-CB 3.89Å; L351-A375 WeakPolarHBondContact O-CB 3.35Å; L351-A375 PolarHBondContact O-N 3.15Å; I353-A375 HydrophobicContact CD1-CB 3.88Å; I353-A375 HydrophobicContact CG1-CB 3.33Å; L369-A375 HydrophobicContact CD2-CB 3.85Å; G373-A375 VanDerWaalsContact C-N 3.26Å; G373-A375 PolarHBondContact O-N 3.16Å; A375-G379 PolarHBondContact O-N 2.87Å; A375-L381 HydrophobicContact CB-CD1 3.76Å
376	A	78.6	Confident	80.3	Confident	39 Å²	39	56.7 Å²	56.7	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-73.7	-36.6	173.6	0	0	0	0	0	111.4	L369 L370 G373 G379	L369-A376 HydrophobicContact CB-CB 4.24Å; L370-A376 WeakPolarHBondContact O-CB 3.5Å; G373-A376 WeakPolarHBondContact O-CB 3.48Å; G373-A376 PolarHBondContact O-N 2.86Å; A376-G379 PolarHBondContact O-N 2.85Å
377	Q	76.9	Confident	80.4	Confident	136 Å²	136	56.7 Å²	56.7	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-66.9	-36.1	174.9	-66.8	179.7	28.2	0	0	112.8	G372 G373 L374	G372-Q377 PolarHBondContact O-NE2 2.79Å; G373-Q377 WeakPolarHBondContact O-CG 3.42Å; G373-Q377 PolarHBondContact O-N 3Å; L374-Q377 PolarHBondContact O-N 3.29Å
378	D	82	Confident	80.6	Confident	51 Å²	51	53.8 Å²	53.8	27%	0.273	31%	0.306	S	S	.	.	H	α-helix	trans	-71.9	-30.1	176.9	-178.7	89.7	0	0	0	113	V340 L342 L374 R380	V340-D378 WeakPolarHBondContact CG1-OD2 3.19Å; L342-D378 HydrophobicContact CD2-CB 3.41Å; L342-D378 VanDerWaalsContact CD2-CB 3.41Å; L342-D378 VanDerWaalsContact CD2-CG 3.47Å; L374-D378 WeakPolarHBondContact O-CB 3.46Å; L374-D378 PolarHBondContact O-N 3.27Å; D378-R380 PolarHBondContact O-N 2.81Å; D378-R380 IonicContact OD1-CZ 3.36Å; D378-R380 IonicContact OD1-NE 2.77Å; D378-R380 PolarHBondContact OD1-NE 3.43Å; D378-R380 IonicContact OD1-NH2 2.68Å; D378-R380 PolarHBondContact OD1-NH2 3.16Å; D378-R380 WeakPolarHBondContact OD2-CB 3.42Å; D378-R380 WeakPolarHBondContact OD2-CG 3.5Å; D378-R380 IonicContact OD2-CZ 3.54Å; D378-R380 PolarHBondContact OD2-N 3.23Å; D378-R380 IonicContact OD2-NE 3.96Å; D378-R380 PolarHBondContact OD2-NE 2.79Å; D378-R380 IonicContact OD2-NH2 3.45Å; D378-R380 PolarHBondContact OD2-NH2 3.4Å
379	G	76.1	Confident	80.9	Confident	53 Å²	53	51 Å²	51	55%	0.546	29%	0.294	S	S	.	.			trans	68.2	-5.5	170.2	0	0	0	0	0	116.7	A375 A376	A375-G379 PolarHBondContact O-N 2.87Å; A376-G379 PolarHBondContact O-N 2.85Å
380	R	77.6	Confident	81.1	Confident	106 Å²	106	49.6 Å²	49.6	40%	0.4	29%	0.286	S	S	.	.			trans	-78.4	-29	178.1	-63.7	179.9	-73.7	-178.5	-9.3	113	V340 V341 D378 R420	V340-R380 HydrophobicContact CG2-CB 3.78Å; V341-R380 PolarHBondContact O-NH2 3.06Å; V341-R380 VanDerWaalsContact O-NH2 3.13Å; D378-R380 PolarHBondContact O-N 2.81Å; D378-R380 IonicContact OD1-CZ 3.36Å; D378-R380 IonicContact OD1-NE 2.77Å; D378-R380 PolarHBondContact OD1-NE 3.43Å; D378-R380 IonicContact OD1-NH2 2.68Å; D378-R380 PolarHBondContact OD1-NH2 3.16Å; D378-R380 WeakPolarHBondContact OD2-CB 3.42Å; D378-R380 WeakPolarHBondContact OD2-CG 3.5Å; D378-R380 IonicContact OD2-CZ 3.54Å; D378-R380 PolarHBondContact OD2-N 3.23Å; D378-R380 IonicContact OD2-NE 3.96Å; D378-R380 PolarHBondContact OD2-NE 2.79Å; D378-R380 IonicContact OD2-NH2 3.45Å; D378-R380 PolarHBondContact OD2-NH2 3.4Å; R380-R420 PolarHBondContact O-NH2 3.38Å
381	L	84.3	Confident	81.5	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	28%	0.281	C	S	.	.			trans	-80.4	149.3	176.9	-61.9	170.1	0	0	0	110.3	V340 L342 I353 I366 L369 A375 L416 I418	V340-L381 HydrophobicContact CB-CD2 4.06Å; V340-L381 HydrophobicContact CB-CG 4.39Å; V340-L381 HydrophobicContact CG1-CD1 4.2Å; V340-L381 HydrophobicContact CG1-CD2 4.26Å; V340-L381 HydrophobicContact CG1-CG 4.04Å; V340-L381 HydrophobicContact CG2-CD2 3.78Å; V340-L381 HydrophobicContact CG2-CG 4.2Å; L342-L381 HydrophobicContact CD1-CD1 3.97Å; I353-L381 HydrophobicContact CD1-CD1 3.8Å; I353-L381 HydrophobicContact CG1-CD1 4.43Å; I366-L381 HydrophobicContact CD1-CB 4.15Å; I366-L381 HydrophobicContact CD1-CD1 4.45Å; I366-L381 HydrophobicContact CD1-CD2 3.97Å; I366-L381 HydrophobicContact CD1-CG 4.41Å; L369-L381 HydrophobicContact CD1-CB 3.98Å; L369-L381 WeakPolarHBondContact CD1-O 3.46Å; L369-L381 HydrophobicContact CD2-CB 4.33Å; A375-L381 HydrophobicContact CB-CD1 3.76Å; L381-L416 HydrophobicContact CD1-CD1 3.94Å; L381-I418 HydrophobicContact CD2-CD1 3.82Å; L381-I418 HydrophobicContact CD2-CG1 3.6Å
382	C	82.8	Confident	81.7	Confident	52 Å²	52	42.5 Å²	42.5	35%	0.351	27%	0.272	S	S	.	.			trans	-138.3	153.8	176.9	-70.4	0	0	0	0	110.8	D385 R420	C382-D385 PolarHBondContact N-OD2 3.01Å; C382-D385 VanDerWaalsContact O-CB 3.23Å; C382-D385 WeakPolarHBondContact O-CB 3.48Å; C382-D385 VanDerWaalsContact O-CG 3.24Å; C382-D385 PolarHBondContact O-N 3.28Å; C382-R420 PolarHBondContact SG-NH2 2.89Å; C382-R420 VanDerWaalsContact SG-NH2 3.38Å
383	S	81.5	Confident	82.1	Confident	53 Å²	53	45.1 Å²	45.1	37%	0.371	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	141.8	164.8	-50.1	0	0	0	0	109.9	L367 D385	L367-S383 WeakPolarHBondContact O-CB 3.31Å; L367-S383 PolarHBondContact O-OG 3.49Å; S383-D385 VanDerWaalsContact C-N 3.33Å
384	N	79.9	Confident	82.2	Confident	99 Å²	99	48.7 Å²	48.7	53%	0.529	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	0.5	-171	-57.6	-48.4	0	0	0	117.5	R358 I366	R358-N384 VanDerWaalsContact NH2-CB 3.28Å; R358-N384 VanDerWaalsContact NH2-CG 3.35Å; R358-N384 PolarHBondContact NH2-OD1 3.08Å; I366-N384 WeakPolarHBondContact O-CA 3.2Å; I366-N384 PolarHBondContact O-N 3.03Å
385	D	85.5	Confident	82.3	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	28%	0.281	C	S	.	.			trans	-62.3	140	168.5	-79.7	-11.3	0	0	0	111.9	F365 I366 C382 S383 I418 R420	F365-D385 WeakPolarHBondContact CA-O 3.26Å; I366-D385 HydrophobicContact CB-CB 4.4Å; I366-D385 HydrophobicContact CD1-CB 4.06Å; I366-D385 HydrophobicContact CG1-CB 4.28Å; I366-D385 PolarHBondContact N-O 2.88Å; C382-D385 PolarHBondContact N-OD2 3.01Å; C382-D385 VanDerWaalsContact O-CB 3.23Å; C382-D385 WeakPolarHBondContact O-CB 3.48Å; C382-D385 VanDerWaalsContact O-CG 3.24Å; C382-D385 PolarHBondContact O-N 3.28Å; S383-D385 VanDerWaalsContact C-N 3.33Å; D385-I418 HydrophobicContact CB-CG2 3.64Å; D385-R420 IonicContact OD1-CZ 2.75Å; D385-R420 IonicContact OD1-NE 3.57Å; D385-R420 PolarHBondContact OD1-NE 3.44Å; D385-R420 IonicContact OD1-NH2 3.51Å; D385-R420 PolarHBondContact OD1-NH2 3.47Å; D385-R420 IonicContact OD2-CZ 3.49Å; D385-R420 IonicContact OD2-NE 3.38Å; D385-R420 IonicContact OD2-NH2 3.4Å; D385-R420 PolarHBondContact OD2-NH2 2.95Å
386	R	87.4	Confident	82	Confident	42 Å²	42	52 Å²	52	16%	0.158	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123	176.1	-172.2	179.5	-174.3	-172.1	4.8	110.3	E335 P362 F365 L388 I418 A419	E335-R386 IonicContact OE1-NH1 2.78Å; P362-R386 PolarHBondContact O-NH2 3.41Å; F365-R386 HydrophobicContact CD1-CB 3.87Å; F365-R386 HydrophobicContact CD1-CG 4.02Å; F365-R386 HydrophobicContact CE1-CB 3.78Å; F365-R386 HydrophobicContact CE1-CG 3.67Å; F365-R386 HydrophobicContact CZ-CG 4.1Å; R386-L388 HydrophobicContact CG-CD2 4.32Å; R386-L388 PolarHBondContact O-N 3.02Å; R386-I418 CarbonylContact O-C 3.43Å; R386-I418 WeakPolarHBondContact O-CA 3.23Å; R386-A419 HydrophobicContact CB-CB 4.34Å; R386-A419 PolarHBondContact N-O 3.46Å; R386-A419 PolarHBondContact O-N 3.21Å
387	V	88.6	Confident	81.9	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	107.1	177.3	-172.1	0	0	0	0	109	L355 V364 I366 I390 L395 L416 I418	L355-V387 HydrophobicContact CD2-CG2 4.01Å; V364-V387 HydrophobicContact CB-CB 4.46Å; V364-V387 PolarHBondContact O-N 3.41Å; I366-V387 HydrophobicContact CD1-CG2 4.45Å; I366-V387 HydrophobicContact CG1-CG2 3.95Å; V387-I390 HydrophobicContact CG1-CD1 4.11Å; V387-I390 HydrophobicContact CG1-CG1 3.81Å; V387-L395 HydrophobicContact CG1-CD1 4.06Å; V387-L416 HydrophobicContact CG1-CD2 4.04Å; V387-I418 HydrophobicContact CB-CD1 4.36Å; V387-I418 HydrophobicContact CG1-CD1 4.42Å; V387-I418 HydrophobicContact CG2-CD1 3.94Å
388	L	86.5	Confident	81.8	Confident	16 Å²	16	50.7 Å²	50.7	8%	0.084	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-37	177.4	-61.8	-174.5	0	0	0	112.3	I337 R386 L395 K396 T417 A419	I337-L388 HydrophobicContact CD1-CD1 3.95Å; I337-L388 HydrophobicContact CG1-CD1 4.08Å; I337-L388 HydrophobicContact CG2-CD1 4.1Å; R386-L388 HydrophobicContact CG-CD2 4.32Å; R386-L388 PolarHBondContact O-N 3.02Å; L388-L395 PolarHBondContact O-N 3.01Å; L388-K396 HydrophobicContact CD2-CG 3.97Å; L388-T417 HydrophobicContact CB-CG2 4.23Å; L388-T417 HydrophobicContact CD1-CG2 4.39Å; L388-T417 PolarHBondContact N-O 2.96Å; L388-A419 HydrophobicContact CD1-CB 3.83Å; L388-A419 HydrophobicContact CD2-CB 4Å; L388-A419 HydrophobicContact CG-CB 3.85Å
389	A	87.1	Confident	81.8	Confident	15 Å²	15	50.3 Å²	50.3	12%	0.124	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	155.1	178.8	0	0	0	0	0	113.2	H393 T417	A389-H393 CarbonylContact C-O 3.59Å; A389-H393 WeakPolarHBondContact CA-O 3.4Å; A389-H393 VanDerWaalsContact CB-O 3.24Å; A389-H393 WeakPolarHBondContact CB-O 3.42Å; A389-T417 PolarHBondContact N-O 3.29Å; A389-T417 PolarHBondContact O-N 2.81Å
390	I	88.8	Confident	82.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.5	171.7	-60.2	177.4	0	0	0	109.4	V387 G392 H393 L395 A403 I406 I407 V414 N415 L416	V387-I390 HydrophobicContact CG1-CD1 4.11Å; V387-I390 HydrophobicContact CG1-CG1 3.81Å; I390-G392 PolarHBondContact O-N 2.87Å; I390-H393 PolarHBondContact N-O 3.06Å; I390-H393 WeakPolarHBondContact O-CB 3.42Å; I390-H393 PolarHBondContact O-CD2 3.16Å; I390-H393 PolarHBondContact O-N 3.49Å; I390-L395 HydrophobicContact CB-CD1 4.22Å; I390-L395 HydrophobicContact CD1-CD1 3.52Å; I390-L395 HydrophobicContact CG1-CD1 3.58Å; I390-A403 HydrophobicContact CD1-CB 4.03Å; I390-I406 HydrophobicContact CB-CG2 3.9Å; I390-I406 HydrophobicContact CG2-CB 4.47Å; I390-I406 HydrophobicContact CG2-CG2 3.63Å; I390-I407 HydrophobicContact CD1-CD1 3.77Å; I390-I407 HydrophobicContact CD1-CG1 3.73Å; I390-I407 HydrophobicContact CG2-CG1 4.2Å; I390-V414 HydrophobicContact CG2-CG1 3.61Å; I390-N415 CarbonylContact C-O 3.52Å; I390-N415 WeakPolarHBondContact CA-O 3.39Å; I390-L416 HydrophobicContact CD1-CD2 3.95Å; I390-L416 HydrophobicContact CG1-CD2 3.69Å
391	N	84.9	Confident	82.5	Confident	62 Å²	62	49.1 Å²	49.1	33%	0.332	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	33.1	-177.7	-82.2	-19.8	0	0	0	113.9	S410 R413 N415	N391-S410 WeakPolarHBondContact ND2-CB 3.28Å; N391-S410 PolarHBondContact ND2-OG 3.39Å; N391-R413 PolarHBondContact ND2-O 2.9Å; N391-R413 VanDerWaalsContact ND2-O 3.07Å; N391-N415 PolarHBondContact N-O 2.87Å; N391-N415 PolarHBondContact OD1-N 3.28Å
392	G	73.8	Confident	82.5	Confident	72 Å²	72	52.5 Å²	52.5	74%	0.742	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-8.6	-178.8	0	0	0	0	0	115.4	I390	I390-G392 PolarHBondContact O-N 2.87Å
393	H	79.1	Confident	82.5	Confident	109 Å²	109	50 Å²	50	51%	0.505	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	122.8	173.7	-63.4	-82.9	0	0	0	111	A389 I390 I406	A389-H393 CarbonylContact C-O 3.59Å; A389-H393 WeakPolarHBondContact CA-O 3.4Å; A389-H393 VanDerWaalsContact CB-O 3.24Å; A389-H393 WeakPolarHBondContact CB-O 3.42Å; I390-H393 PolarHBondContact N-O 3.06Å; I390-H393 WeakPolarHBondContact O-CB 3.42Å; I390-H393 PolarHBondContact O-CD2 3.16Å; I390-H393 PolarHBondContact O-N 3.49Å; H393-I406 HydrophobicContact CB-CD1 3.74Å
394	D	81.5	Confident	82.6	Confident	89 Å²	89	49.3 Å²	49.3	48%	0.476	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	131.4	179.5	-164.3	-26.2	0	0	0	111.7	K396	D394-K396 VanDerWaalsContact OD1-CB 3.27Å; D394-K396 WeakPolarHBondContact OD1-CB 3.45Å; D394-K396 WeakPolarHBondContact OD1-CD 3.3Å; D394-K396 WeakPolarHBondContact OD1-CG 3.19Å; D394-K396 PolarHBondContact OD1-N 3.08Å; D394-K396 IonicContact OD1-NZ 3.94Å; D394-K396 WeakPolarHBondContact OD2-CD 3.38Å; D394-K396 WeakPolarHBondContact OD2-CE 3.41Å; D394-K396 IonicContact OD2-NZ 2.8Å; D394-K396 PolarHBondContact OD2-NZ 3.23Å
395	L	82.2	Confident	82.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.275	C	S	.	.			trans	-124.9	9.3	179.4	-69.4	175.1	0	0	0	113.4	V364 V387 L388 I390 H397 G398 L402 A403 I406	V364-L395 HydrophobicContact CG2-CB 4.38Å; V387-L395 HydrophobicContact CG1-CD1 4.06Å; L388-L395 PolarHBondContact O-N 3.01Å; I390-L395 HydrophobicContact CB-CD1 4.22Å; I390-L395 HydrophobicContact CD1-CD1 3.52Å; I390-L395 HydrophobicContact CG1-CD1 3.58Å; L395-H397 PolarHBondContact O-N 3.4Å; L395-G398 PolarHBondContact O-N 3.05Å; L395-L402 HydrophobicContact CD2-CD2 4.09Å; L395-L402 HydrophobicContact CD2-CG 4.16Å; L395-A403 HydrophobicContact CD1-CB 3.6Å; L395-A403 HydrophobicContact CD2-CB 4.28Å; L395-I406 HydrophobicContact CD2-CD1 4.13Å
396	K	76.8	Confident	82.8	Confident	90 Å²	90	51.1 Å²	51.1	39%	0.391	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-30.9	176.3	-71.7	166	-162	142.7	0	113.6	P362 G363 L388 D394	P362-K396 CarbonylContact C-O 3.52Å; G363-K396 VanDerWaalsContact CA-O 3.31Å; G363-K396 WeakPolarHBondContact CA-O 3.4Å; L388-K396 HydrophobicContact CD2-CG 3.97Å; D394-K396 VanDerWaalsContact OD1-CB 3.27Å; D394-K396 WeakPolarHBondContact OD1-CB 3.45Å; D394-K396 WeakPolarHBondContact OD1-CD 3.3Å; D394-K396 WeakPolarHBondContact OD1-CG 3.19Å; D394-K396 PolarHBondContact OD1-N 3.08Å; D394-K396 IonicContact OD1-NZ 3.94Å; D394-K396 WeakPolarHBondContact OD2-CD 3.38Å; D394-K396 WeakPolarHBondContact OD2-CE 3.41Å; D394-K396 IonicContact OD2-NZ 2.8Å; D394-K396 PolarHBondContact OD2-NZ 3.23Å
397	H	77.1	Confident	82.7	Confident	137 Å²	137	50.1 Å²	50.1	63%	0.634	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	11.6	174.9	-56.6	-44.3	0	0	0	113.3	L395	L395-H397 PolarHBondContact O-N 3.4Å
398	G	74.8	Confident	82.4	Confident	10 Å²	10	56.9 Å²	56.9	10%	0.103	31%	0.308	C	S	.	.			trans	-70	179.7	-179.2	0	0	0	0	0	113.4	L395	L395-G398 PolarHBondContact O-N 3.05Å
399	T	82.5	Confident	82.1	Confident	43 Å²	43	60.6 Å²	60.6	26%	0.264	34%	0.34	S	S	.	.			trans	-114.3	154	174.8	80.9	0	0	0	0	109.8	E401 L402 A403	T399-E401 WeakPolarHBondContact CB-OE2 3.35Å; T399-E401 PolarHBondContact O-N 2.71Å; T399-E401 PolarHBondContact OG1-OE2 2.9Å; T399-L402 PolarHBondContact O-N 3.3Å; T399-L402 PolarHBondContact OG1-N 3.42Å; T399-A403 PolarHBondContact O-N 3.37Å; T399-A403 VanDerWaalsContact O-N 3.08Å
400	P	83.9	Confident	81.8	Confident	19 Å²	19	60.4 Å²	60.4	12%	0.123	34%	0.339	C	S	.	.	H	α-helix	trans	-63.1	-25.4	-179.2	24.9	-33.4	0	0	0	112.7	L355 V364 A403 A404	L355-P400 HydrophobicContact CB-CB 3.88Å; V364-P400 HydrophobicContact CG1-CB 4.28Å; P400-A403 PolarHBondContact O-N 3.26Å; P400-A404 WeakPolarHBondContact O-CB 3.35Å; P400-A404 PolarHBondContact O-N 1.91Å
401	E	84.3	Confident	81.3	Confident	116 Å²	116	62.3 Å²	62.3	54%	0.542	36%	0.358	S	S	.	.	H	α-helix	trans	-67.9	-44.3	174.8	-52.1	73.5	-158.3	0	0	111.3	T399 A403 A404 Q405	T399-E401 WeakPolarHBondContact CB-OE2 3.35Å; T399-E401 PolarHBondContact O-N 2.71Å; T399-E401 PolarHBondContact OG1-OE2 2.9Å; E401-A403 VanDerWaalsContact C-N 3.33Å; E401-A403 PolarHBondContact O-N 3.47Å; E401-A404 PolarHBondContact O-N 3.21Å; E401-Q405 WeakPolarHBondContact O-CG 3.36Å; E401-Q405 PolarHBondContact O-N 2.93Å
402	L	82.6	Confident	81	Confident	74 Å²	74	65.7 Å²	65.7	39%	0.387	37%	0.372	S	S	.	.	H	α-helix	trans	-62.9	-41.7	174.2	178.1	62.3	0	0	0	111	L395 T399 Q405 I406	L395-L402 HydrophobicContact CD2-CD2 4.09Å; L395-L402 HydrophobicContact CD2-CG 4.16Å; T399-L402 PolarHBondContact O-N 3.3Å; T399-L402 PolarHBondContact OG1-N 3.42Å; L402-Q405 PolarHBondContact O-N 3.01Å; L402-I406 HydrophobicContact CD1-CD1 4.18Å; L402-I406 HydrophobicContact CD1-CG1 4.48Å; L402-I406 HydrophobicContact CG-CD1 3.98Å; L402-I406 WeakPolarHBondContact O-CD1 3.21Å; L402-I406 VanDerWaalsContact O-CG1 3.27Å; L402-I406 WeakPolarHBondContact O-CG1 3.39Å; L402-I406 PolarHBondContact O-N 3.18Å
403	A	84.3	Confident	81.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-61.7	-44	175.7	0	0	0	0	0	112	L355 V364 I390 L395 T399 P400 E401 I406 I407	L355-A403 HydrophobicContact CD1-CB 3.59Å; V364-A403 HydrophobicContact CG1-CB 4.09Å; V364-A403 HydrophobicContact CG2-CB 4.41Å; I390-A403 HydrophobicContact CD1-CB 4.03Å; L395-A403 HydrophobicContact CD1-CB 3.6Å; L395-A403 HydrophobicContact CD2-CB 4.28Å; T399-A403 PolarHBondContact O-N 3.37Å; T399-A403 VanDerWaalsContact O-N 3.08Å; P400-A403 PolarHBondContact O-N 3.26Å; E401-A403 VanDerWaalsContact C-N 3.33Å; E401-A403 PolarHBondContact O-N 3.47Å; A403-I406 PolarHBondContact O-N 3.18Å; A403-I407 VanDerWaalsContact O-CG1 3.29Å; A403-I407 WeakPolarHBondContact O-CG1 3.24Å; A403-I407 PolarHBondContact O-N 3.27Å
404	A	84.1	Confident	81.7	Confident	38 Å²	38	64.3 Å²	64.3	31%	0.314	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-41.5	175.7	0	0	0	0	0	112.3	P400 E401 I407 Q408	P400-A404 WeakPolarHBondContact O-CB 3.35Å; P400-A404 PolarHBondContact O-N 1.91Å; E401-A404 PolarHBondContact O-N 3.21Å; A404-I407 PolarHBondContact O-N 3.1Å; A404-Q408 WeakPolarHBondContact O-CB 3.41Å; A404-Q408 VanDerWaalsContact O-CG 3.31Å; A404-Q408 WeakPolarHBondContact O-CG 3.42Å; A404-Q408 PolarHBondContact O-N 3.23Å
405	Q	83.3	Confident	82	Confident	121 Å²	121	62 Å²	62	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-60.4	-44.7	174.3	-74.9	173.4	2	0	0	111.8	E401 L402 Q408 A409	E401-Q405 WeakPolarHBondContact O-CG 3.36Å; E401-Q405 PolarHBondContact O-N 2.93Å; L402-Q405 PolarHBondContact O-N 3.01Å; Q405-Q408 PolarHBondContact O-N 2.84Å; Q405-A409 VanDerWaalsContact O-CB 3.29Å; Q405-A409 WeakPolarHBondContact O-CB 3.45Å; Q405-A409 PolarHBondContact O-N 3.18Å
406	I	85.8	Confident	82.3	Confident	20 Å²	20	62.1 Å²	62.1	10%	0.103	33%	0.328	C	S	.	.	H	α-helix	trans	-63.5	-42.4	176.7	-63.3	157.2	0	0	0	110.5	I390 H393 L395 L402 A403 Q408 S410	I390-I406 HydrophobicContact CB-CG2 3.9Å; I390-I406 HydrophobicContact CG2-CB 4.47Å; I390-I406 HydrophobicContact CG2-CG2 3.63Å; H393-I406 HydrophobicContact CB-CD1 3.74Å; L395-I406 HydrophobicContact CD2-CD1 4.13Å; L402-I406 HydrophobicContact CD1-CD1 4.18Å; L402-I406 HydrophobicContact CD1-CG1 4.48Å; L402-I406 HydrophobicContact CG-CD1 3.98Å; L402-I406 WeakPolarHBondContact O-CD1 3.21Å; L402-I406 VanDerWaalsContact O-CG1 3.27Å; L402-I406 WeakPolarHBondContact O-CG1 3.39Å; L402-I406 PolarHBondContact O-N 3.18Å; A403-I406 PolarHBondContact O-N 3.18Å; I406-Q408 PolarHBondContact O-N 2.69Å; I406-S410 WeakPolarHBondContact O-CB 3.5Å; I406-S410 PolarHBondContact O-N 3.25Å; I406-S410 PolarHBondContact O-OG 3.28Å
407	I	84.9	Confident	82.8	Confident	20 Å²	20	59 Å²	59	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-40.3	175.8	-70.1	164.4	0	0	0	112	K344 L351 L355 I390 A403 A404 V414	K344-I407 PolarHBondContact NZ-O 3.36Å; L351-I407 HydrophobicContact CD1-CB 4.42Å; L351-I407 HydrophobicContact CD1-CD1 4.17Å; L351-I407 HydrophobicContact CD1-CG1 4.04Å; L351-I407 HydrophobicContact CD1-CG2 3.53Å; L351-I407 HydrophobicContact CG-CG2 3.83Å; L355-I407 HydrophobicContact CD1-CD1 3.92Å; I390-I407 HydrophobicContact CD1-CD1 3.77Å; I390-I407 HydrophobicContact CD1-CG1 3.73Å; I390-I407 HydrophobicContact CG2-CG1 4.2Å; A403-I407 VanDerWaalsContact O-CG1 3.29Å; A403-I407 WeakPolarHBondContact O-CG1 3.24Å; A403-I407 PolarHBondContact O-N 3.27Å; A404-I407 PolarHBondContact O-N 3.1Å; I407-V414 HydrophobicContact CG1-CG1 4.46Å
408	Q	82.6	Confident	83.4	Confident	144 Å²	144	52.5 Å²	52.5	67%	0.673	29%	0.286	S	S	*	.	H	α-helix	trans	-73.6	-40.1	179.8	-73.4	173.1	-3.5	0	0	112.2	A404 Q405 I406 S410	A404-Q408 WeakPolarHBondContact O-CB 3.41Å; A404-Q408 VanDerWaalsContact O-CG 3.31Å; A404-Q408 WeakPolarHBondContact O-CG 3.42Å; A404-Q408 PolarHBondContact O-N 3.23Å; Q405-Q408 PolarHBondContact O-N 2.84Å; I406-Q408 PolarHBondContact O-N 2.69Å; Q408-S410 PolarHBondContact O-N 3.37Å
409	A	80.1	Confident	84	Confident	93 Å²	93	52 Å²	52	77%	0.769	28%	0.282	S	S	*	.	H	α-helix	trans	-71.6	-16.6	174.7	0	0	0	0	0	113.2	Q405	Q405-A409 VanDerWaalsContact O-CB 3.29Å; Q405-A409 WeakPolarHBondContact O-CB 3.45Å; Q405-A409 PolarHBondContact O-N 3.18Å
410	S	80.9	Confident	84	Confident	12 Å²	12	53.4 Å²	53.4	8%	0.084	28%	0.282	C	S	.	.			trans	-76.8	132.1	174	-62.8	0	0	0	0	111.1	K344 N391 I406 Q408	K344-S410 PolarHBondContact NZ-O 3.01Å; N391-S410 WeakPolarHBondContact ND2-CB 3.28Å; N391-S410 PolarHBondContact ND2-OG 3.39Å; I406-S410 WeakPolarHBondContact O-CB 3.5Å; I406-S410 PolarHBondContact O-N 3.25Å; I406-S410 PolarHBondContact O-OG 3.28Å; Q408-S410 PolarHBondContact O-N 3.37Å
411	G	78.3	Confident	83.1	Confident	39 Å²	39	56.8 Å²	56.8	40%	0.402	30%	0.304	S	S	.	.			trans	-71	-144.4	175	0	0	0	0	0	113.4	R413	G411-R413 PolarHBondContact O-N 3.38Å
412	E	78.3	Confident	81.5	Confident	134 Å²	134	53.7 Å²	53.7	63%	0.626	30%	0.303	S	S	*	.	S	Bend	trans	-59.8	-8.9	-174.7	-65.4	171.2	-167.5	0	0	115.3	H343 K344	H343-E412 CarbonylContact C-O 3.53Å; H343-E412 VanDerWaalsContact CA-O 3.26Å; H343-E412 WeakPolarHBondContact CA-O 3.31Å; K344-E412 PolarHBondContact N-O 3.49Å
413	R	81	Confident	79.5	Confident	152 Å²	152	59.4 Å²	59.4	57%	0.574	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.2	-176.1	-162.6	179.3	-166.9	-155.8	-0.9	112.2	V341 N391 G411	V341-R413 HydrophobicContact CG1-CG 3.75Å; V341-R413 VanDerWaalsContact CG1-NE 3.34Å; N391-R413 PolarHBondContact ND2-O 2.9Å; N391-R413 VanDerWaalsContact ND2-O 3.07Å; G411-R413 PolarHBondContact O-N 3.38Å
414	V	87.4	Confident	77.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	114	175.6	-168.9	0	0	0	0	110.1	V341 L342 L351 I390 I407 L416	V341-V414 WeakPolarHBondContact CA-O 3.25Å; L342-V414 PolarHBondContact N-O 2.89Å; L342-V414 PolarHBondContact O-N 3.27Å; L351-V414 HydrophobicContact CD1-CB 4.12Å; L351-V414 HydrophobicContact CD1-CG1 3.98Å; L351-V414 HydrophobicContact CD1-CG2 4.14Å; L351-V414 HydrophobicContact CD2-CG2 4.19Å; I390-V414 HydrophobicContact CG2-CG1 3.61Å; I407-V414 HydrophobicContact CG1-CG1 4.46Å; V414-L416 HydrophobicContact CG1-CG 4.43Å
415	N	86.3	Confident	74.6	Confident	41 Å²	41	73.4 Å²	73.4	22%	0.219	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.8	173.4	-174.4	3	0	0	0	110.4	Q339 V341 I390 N391	Q339-N415 PolarHBondContact OE1-ND2 3Å; V341-N415 HydrophobicContact CG2-CB 4.28Å; I390-N415 CarbonylContact C-O 3.52Å; I390-N415 WeakPolarHBondContact CA-O 3.39Å; N391-N415 PolarHBondContact N-O 2.87Å; N391-N415 PolarHBondContact OD1-N 3.28Å
416	L	88.3	Confident	72.1	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.005	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.8	177.8	-73.4	147.9	0	0	0	109	Q339 V340 L342 I353 L381 V387 I390 V414 I418	Q339-L416 CarbonylContact C-O 3.58Å; Q339-L416 WeakPolarHBondContact CA-O 3.47Å; V340-L416 HydrophobicContact CB-CB 4.35Å; V340-L416 PolarHBondContact N-O 2.86Å; V340-L416 PolarHBondContact O-N 3.15Å; L342-L416 HydrophobicContact CD1-CD1 3.8Å; L342-L416 HydrophobicContact CG-CD1 4.19Å; I353-L416 HydrophobicContact CD1-CD1 3.84Å; L381-L416 HydrophobicContact CD1-CD1 3.94Å; V387-L416 HydrophobicContact CG1-CD2 4.04Å; I390-L416 HydrophobicContact CD1-CD2 3.95Å; I390-L416 HydrophobicContact CG1-CD2 3.69Å; V414-L416 HydrophobicContact CG1-CG 4.43Å; L416-I418 HydrophobicContact CB-CD1 4.14Å; L416-I418 HydrophobicContact CB-CG1 4.32Å
417	T	88.4	Confident	69.4	Low	25 Å²	25	75.2 Å²	75.2	15%	0.153	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	121	166.9	-55.1	0	0	0	0	108.7	I337 Q339 L388 A389	I337-T417 HydrophobicContact CG2-CG2 3.83Å; Q339-T417 HydrophobicContact CG-CG2 4.36Å; L388-T417 HydrophobicContact CB-CG2 4.23Å; L388-T417 HydrophobicContact CD1-CG2 4.39Å; L388-T417 PolarHBondContact N-O 2.96Å; A389-T417 PolarHBondContact N-O 3.29Å; A389-T417 PolarHBondContact O-N 2.81Å
418	I	89.9	Confident	66.7	Low	0 Å²	0	81.9 Å²	81.9	0%	0	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.5	-171.6	-58.7	-60.4	0	0	0	109.7	I337 F338 I366 L381 D385 R386 V387 L416	I337-I418 VanDerWaalsContact CA-O 3.28Å; I337-I418 WeakPolarHBondContact CA-O 3.28Å; F338-I418 HydrophobicContact CE1-CB 4.12Å; F338-I418 HydrophobicContact CE1-CG2 3.78Å; F338-I418 HydrophobicContact CE2-CB 4.18Å; F338-I418 HydrophobicContact CE2-CG2 4.35Å; F338-I418 HydrophobicContact CZ-CB 3.92Å; F338-I418 HydrophobicContact CZ-CG2 3.63Å; F338-I418 PolarHBondContact N-O 3.46Å; F338-I418 PolarHBondContact O-N 2.73Å; I366-I418 HydrophobicContact CD1-CD1 4.48Å; L381-I418 HydrophobicContact CD2-CD1 3.82Å; L381-I418 HydrophobicContact CD2-CG1 3.6Å; D385-I418 HydrophobicContact CB-CG2 3.64Å; R386-I418 CarbonylContact O-C 3.43Å; R386-I418 WeakPolarHBondContact O-CA 3.23Å; V387-I418 HydrophobicContact CB-CD1 4.36Å; V387-I418 HydrophobicContact CG1-CD1 4.42Å; V387-I418 HydrophobicContact CG2-CD1 3.94Å; L416-I418 HydrophobicContact CB-CD1 4.14Å; L416-I418 HydrophobicContact CB-CG1 4.32Å
419	A	86.1	Confident	64.2	Low	1 Å²	1	81.5 Å²	81.5	1%	0.008	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.9	161.8	0	0	0	0	0	109.6	E335 E336 I337 R386 L388	E335-A419 HydrophobicContact CB-CB 4.39Å; E336-A419 WeakPolarHBondContact O-CA 3.38Å; I337-A419 HydrophobicContact CG1-CB 4.33Å; R386-A419 HydrophobicContact CB-CB 4.34Å; R386-A419 PolarHBondContact N-O 3.46Å; R386-A419 PolarHBondContact O-N 3.21Å; L388-A419 HydrophobicContact CD1-CB 3.83Å; L388-A419 HydrophobicContact CD2-CB 4Å; L388-A419 HydrophobicContact CG-CB 3.85Å
420	R	82.8	Confident	61.8	Low	72 Å²	72	84.3 Å²	84.3	27%	0.272	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.5	172.3	-177.1	174.3	-67.5	161.9	4.9	109.3	E336 F338 R380 C382 D385 G422	E336-R420 PolarHBondContact N-O 2.82Å; E336-R420 PolarHBondContact O-N 3.06Å; F338-R420 HydrophobicContact CE1-CB 3.91Å; R380-R420 PolarHBondContact O-NH2 3.38Å; C382-R420 PolarHBondContact SG-NH2 2.89Å; C382-R420 VanDerWaalsContact SG-NH2 3.38Å; D385-R420 IonicContact OD1-CZ 2.75Å; D385-R420 IonicContact OD1-NE 3.57Å; D385-R420 PolarHBondContact OD1-NE 3.44Å; D385-R420 IonicContact OD1-NH2 3.51Å; D385-R420 PolarHBondContact OD1-NH2 3.47Å; D385-R420 IonicContact OD2-CZ 3.49Å; D385-R420 IonicContact OD2-NE 3.38Å; D385-R420 IonicContact OD2-NH2 3.4Å; D385-R420 PolarHBondContact OD2-NH2 2.95Å; R420-G422 PolarHBondContact O-N 2.69Å
421	P	66	Low	59.4	Low	90 Å²	90	94.9 Å²	94.9	58%	0.584	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	121.6	170.4	27.4	-32.1	0	0	0	108.9	K423	P421-K423 PolarHBondContact O-N 3.39Å
422	G	50.3	Low	56.8	Low	50 Å²	50	102.8 Å²	102.8	52%	0.515	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-64	123.4	-173.4	0	0	0	0	0	113	R420	R420-G422 PolarHBondContact O-N 2.69Å
423	K	40.5	Very low	54.3	Low	195 Å²	195	101.4 Å²	101.4	85%	0.848	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-83.1	145.5	164.4	-81.4	-169.5	172.6	-170.8	0	110.1	P421	P421-K423 PolarHBondContact O-N 3.39Å
424	P	33.8	Very low	51.6	Low	134 Å²	134	97.8 Å²	97.8	87%	0.87	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-60.6	140.6	170.4	-19.2	31.8	0	0	0	111.5
425	Q	31.2	Very low	48.7	Very low	198 Å²	198	104.3 Å²	104.3	93%	0.925	61%	0.606	S	S	*	*			trans	-111.7	126.4	-170.6	-167	-175.2	35.9	0	0	112.9
426	A	32.3	Very low	45.9	Very low	104 Å²	104	110.1 Å²	110.1	86%	0.86	63%	0.631	S	S	*	*			trans	-164.3	148	159	0	0	0	0	0	107.1
427	G	28.8	Very low	42.8	Very low	74 Å²	74	114.6 Å²	114.6	76%	0.763	66%	0.663	S	S	*	*			cis	-179.8	140.8	-5	0	0	0	0	0	106.8
428	N	28.2	Very low	39.8	Very low	160 Å²	160	119 Å²	119	86%	0.856	69%	0.694	S	S	*	*			trans	-76.8	166.3	-162	-90.7	-16.5	0	0	0	116.9
429	T	29	Very low	36.8	Very low	137 Å²	137	124.5 Å²	124.5	84%	0.84	73%	0.733	S	S	*	*			trans	78.5	140.1	154.6	18.5	0	0	0	0	117.4
430	I	29.4	Very low	34.1	Very low	152 Å²	152	130.3 Å²	130.3	78%	0.779	77%	0.774	S	S	*	*			cis	-138.5	158.5	15	-63.4	-176.8	0	0	0	112.4
431	R	30.5	Very low	31.5	Very low	234 Å²	234	134.6 Å²	134.6	88%	0.883	80%	0.797	S	S	*	*			trans	-44.6	153.5	169.7	-58.4	162.7	158.8	176.7	-8.9	117.6
432	E	25.4	Very low	29.9	Very low	204 Å²	204	139.4 Å²	139.4	95%	0.953	81%	0.811	S	S	*	*				-154.1	168.4	114.2	-122.7	174.7	-165.6	0	0	112
433	A	26.1	Very low	28.8	Very low	105 Å²	105	145 Å²	145	87%	0.868	82%	0.823	S	S	*	*			trans	-120.9	149.1	-163	0	0	0	0	0	114
434	G	24.3	Very low	28.1	Very low	76 Å²	76	141.6 Å²	141.6	78%	0.784	82%	0.819	S	S	*	*			trans	-168	112.1	173.9	0	0	0	0	0	113.2
435	N	24.8	Very low	28	Very low	138 Å²	138	140.8 Å²	140.8	74%	0.738	81%	0.814	S	S	*	*			trans	-63.4	152.4	174.9	-73.9	-19.7	0	0	0	112.6
436	H	28.1	Very low	28	Very low	163 Å²	163	137 Å²	137	76%	0.755	81%	0.806	S	S	*	*				172.2	124.8	97.4	-93.4	-67.9	0	0	0	116
437	S	23.5	Very low	27.8	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	79%	0.794	S	S	*	*			trans	52	104.9	141	57.5	0	0	0	0	123
438	S	25.9	Very low	27.7	Very low	117 Å²	117	143.7 Å²	143.7	82%	0.818	80%	0.8	S	S	*	*				43.2	119.9	121.8	64.8	0	0	0	0	121.8
439	S	25.6	Very low	27.5	Very low	115 Å²	115	146.4 Å²	146.4	80%	0.804	80%	0.8	S	S	*	*				-152.8	140.2	124.1	60.8	0	0	0	0	111.2
440	S	29.5	Very low	27.3	Very low	124 Å²	124	144.4 Å²	144.4	87%	0.867	79%	0.791	S	S	*	*			trans	-92.3	125.1	-179.9	-46.7	0	0	0	0	110.3
441	Q	28.5	Very low	27.1	Very low	161 Å²	161	147.7 Å²	147.7	75%	0.752	79%	0.794	S	S	*	*			trans	-135.7	132.8	160.3	-69.8	-163.3	1.1	0	0	111.1
442	H	33.6	Very low	26.8	Very low	192 Å²	192	142.5 Å²	142.5	89%	0.889	79%	0.79	S	S	*	*			trans	-66.9	127.6	176.4	-73.4	-95.2	0	0	0	110.5
443	H	26.9	Very low	27	Very low	166 Å²	166	134.6 Å²	134.6	77%	0.769	76%	0.758	S	S	*	*			trans	-125.2	117.9	161.3	-73.2	-62.6	0	0	0	111.7
444	T	26	Very low	27.4	Very low	124 Å²	124	135 Å²	135	76%	0.761	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-52.6	149.1	163.9	43.2	0	0	0	0	111.9
445	P	31	Very low	28.4	Very low	118 Å²	118	134.8 Å²	134.8	77%	0.766	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-62.8	136.2	177.3	26.9	-34.4	0	0	0	111.3
446	P	30.6	Very low	29.6	Very low	117 Å²	117	132.1 Å²	132.1	76%	0.76	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-71.9	155.2	176.6	29.8	-34.2	0	0	0	111.8
447	P	28	Very low	30.9	Very low	93 Å²	93	126.4 Å²	126.4	60%	0.604	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-76.2	155.2	-168.7	31.1	-36.6	0	0	0	113.5	Y449	P447-Y449 PolarHBondContact O-N 2.93Å
448	Y	26.7	Very low	32.5	Very low	226 Å²	226	122.7 Å²	122.7	89%	0.886	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-57.3	117	160.5	-70.9	-95.7	0	0	0	109.1	S450	Y448-S450 VanDerWaalsContact C-N 3.32Å; Y448-S450 PolarHBondContact O-N 3.32Å
449	Y	24.8	Very low	33.8	Very low	218 Å²	218	122.1 Å²	122.1	86%	0.855	65%	0.654	S	S	*	*			trans	-74.5	88.2	172.3	-84.1	-81	0	0	0	110.3	P447 R451	P447-Y449 PolarHBondContact O-N 2.93Å; Y449-R451 PolarHBondContact O-N 3.22Å
450	S	24.5	Very low	35.2	Very low	95 Å²	95	122.1 Å²	122.1	66%	0.664	64%	0.641	S	S	*	*			trans	-52.2	122	162.3	-58	0	0	0	0	109.3	Y448	Y448-S450 VanDerWaalsContact C-N 3.32Å; Y448-S450 PolarHBondContact O-N 3.32Å
451	R	25.2	Very low	36.9	Very low	220 Å²	220	116.8 Å²	116.8	83%	0.83	60%	0.604	S	S	*	*			trans	-75.3	123.2	177.1	-170.5	178.8	-173.4	-164.4	-2.2	107.6	Y449 S453	Y449-R451 PolarHBondContact O-N 3.22Å; R451-S453 VanDerWaalsContact C-N 3.33Å; R451-S453 PolarHBondContact O-N 3.29Å
452	P	24.2	Very low	39.2	Very low	125 Å²	125	109.5 Å²	109.5	81%	0.812	57%	0.57	S	S	*	*			trans	-69.8	93.6	177.4	27.9	-33.1	0	0	0	109.1
453	S	30.1	Very low	41.6	Very low	39 Å²	39	103.8 Å²	103.8	27%	0.273	55%	0.549	S	S	.	.			trans	-82.9	113.4	164.3	87.5	0	0	0	0	108.1	R451 H455 H623	R451-S453 VanDerWaalsContact C-N 3.33Å; R451-S453 PolarHBondContact O-N 3.29Å; S453-H455 VanDerWaalsContact CB-CD2 3.44Å; S453-H455 WeakPolarHBondContact CB-CD2 3.35Å; S453-H455 PolarHBondContact O-N 3.01Å; S453-H455 PolarHBondContact OG-CD2 2.96Å; S453-H455 VanDerWaalsContact OG-CD2 3.25Å; S453-H623 PolarHBondContact O-CE1 3.49Å; S453-H623 PolarHBondContact O-ND1 3.28Å; S453-H623 PolarHBondContact OG-CE1 2.86Å; S453-H623 PolarHBondContact OG-ND1 3.16Å; S453-H623 PolarHBondContact OG-NE2 3.24Å
454	S	34.6	Very low	44.5	Very low	113 Å²	113	98.2 Å²	98.2	79%	0.79	53%	0.528	S	S	*	.			trans	-87.6	54.8	166.3	60.7	0	0	0	0	108.9	K456	S454-K456 PolarHBondContact O-N 2.91Å; S454-K456 VanDerWaalsContact O-N 3.16Å
455	H	45.4	Very low	47.5	Very low	71 Å²	71	98.2 Å²	98.2	33%	0.329	52%	0.52	S	S	.	.			trans	-69.7	110.3	171.2	-76	-55	0	0	0	108.3	S453 T624	S453-H455 VanDerWaalsContact CB-CD2 3.44Å; S453-H455 WeakPolarHBondContact CB-CD2 3.35Å; S453-H455 PolarHBondContact O-N 3.01Å; S453-H455 PolarHBondContact OG-CD2 2.96Å; S453-H455 VanDerWaalsContact OG-CD2 3.25Å; H455-T624 PolarHBondContact O-OG1 3.31Å
456	K	48.5	Very low	50.5	Low	83 Å²	83	97.4 Å²	97.4	36%	0.361	51%	0.505	S	S	.	.			trans	-62.3	150.6	174.4	-61.3	-178.6	-173.1	179.3	0	109.2	S454 E560 Q626	S454-K456 PolarHBondContact O-N 2.91Å; S454-K456 VanDerWaalsContact O-N 3.16Å; K456-E560 IonicContact NZ-OE1 3.47Å; K456-E560 PolarHBondContact NZ-OE1 2.78Å; K456-E560 IonicContact NZ-OE2 2.76Å; K456-E560 PolarHBondContact NZ-OE2 3.04Å; K456-Q626 PolarHBondContact O-NE2 2.87Å
457	D	55.2	Low	53.5	Low	42 Å²	42	93 Å²	93	23%	0.225	47%	0.474	C	S	.	.			trans	-67.9	137	170.7	-165.7	-48.4	0	0	0	108.2	T459 Q460 T624	D457-T459 PolarHBondContact O-N 3.03Å; D457-T459 VanDerWaalsContact O-N 3.13Å; D457-T459 WeakPolarHBondContact OD1-CB 3.36Å; D457-T459 WeakPolarHBondContact OD1-CG2 3.4Å; D457-T459 PolarHBondContact OD1-N 2.79Å; D457-T459 PolarHBondContact OD1-OG1 3.09Å; D457-Q460 HydrophobicContact CB-CG 4.11Å; D457-Q460 WeakPolarHBondContact O-CA 3.41Å; D457-Q460 WeakPolarHBondContact O-CB 3.49Å; D457-Q460 PolarHBondContact O-N 3.47Å; D457-T624 HydrophobicContact CB-CG2 4.3Å
458	L	57.3	Low	56.7	Low	17 Å²	17	94.1 Å²	94.1	9%	0.089	47%	0.471	C	S	.	.	H	α-helix	trans	-57.3	-28.1	176.7	-76.1	137.6	0	0	0	111.7	P256 Q460 C461 L589 P627 F629	P256-L458 HydrophobicContact CG-CD1 4.07Å; L458-Q460 PolarHBondContact O-N 3.21Å; L458-C461 WeakPolarHBondContact O-CB 3.34Å; L458-C461 PolarHBondContact O-N 3.41Å; L458-C461 VanDerWaalsContact O-N 3.13Å; L458-L589 HydrophobicContact CD2-CB 4.26Å; L458-L589 HydrophobicContact CD2-CD1 3.68Å; L458-P627 HydrophobicContact CD1-CG 3.73Å; L458-F629 HydrophobicContact CD1-CE2 3.88Å; L458-F629 HydrophobicContact CD1-CZ 4.18Å
459	T	53.6	Low	59.9	Low	105 Å²	105	83.6 Å²	83.6	64%	0.644	43%	0.43	S	S	*	.	H	α-helix	trans	-67.4	-10.2	173	62.2	0	0	0	0	114.3	D457	D457-T459 PolarHBondContact O-N 3.03Å; D457-T459 VanDerWaalsContact O-N 3.13Å; D457-T459 WeakPolarHBondContact OD1-CB 3.36Å; D457-T459 WeakPolarHBondContact OD1-CG2 3.4Å; D457-T459 PolarHBondContact OD1-N 2.79Å; D457-T459 PolarHBondContact OD1-OG1 3.09Å
460	Q	56.2	Low	63.2	Low	115 Å²	115	77.5 Å²	77.5	54%	0.537	42%	0.416	S	S	.	.	H	α-helix	trans	-96.1	-15.8	172.8	-63.6	170.7	0.1	0	0	112.6	D457 L458 V462 V558	D457-Q460 HydrophobicContact CB-CG 4.11Å; D457-Q460 WeakPolarHBondContact O-CA 3.41Å; D457-Q460 WeakPolarHBondContact O-CB 3.49Å; D457-Q460 PolarHBondContact O-N 3.47Å; L458-Q460 PolarHBondContact O-N 3.21Å; Q460-V462 VanDerWaalsContact C-N 3.34Å; Q460-V558 WeakPolarHBondContact O-CB 3.38Å; Q460-V558 WeakPolarHBondContact O-CG2 3.34Å
461	C	63.7	Low	66.4	Low	12 Å²	12	73.4 Å²	73.4	8%	0.081	39%	0.387	C	S	.	.	H	α-helix	trans	-78.8	-18.7	178	-63.6	0	0	0	0	113	L458 V558 V586	L458-C461 WeakPolarHBondContact O-CB 3.34Å; L458-C461 PolarHBondContact O-N 3.41Å; L458-C461 VanDerWaalsContact O-N 3.13Å; C461-V558 PolarHBondContact O-N 3.4Å; C461-V586 HydrophobicContact CB-CG1 4.2Å
462	V	76.8	Confident	69.6	Low	8 Å²	8	71.4 Å²	71.4	5%	0.048	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	134.1	-175.8	-178.1	0	0	0	0	110.1	Q460 V555 Q556 V586	Q460-V462 VanDerWaalsContact C-N 3.34Å; V462-V555 HydrophobicContact CG1-CG1 3.29Å; V462-Q556 CarbonylContact C-O 3.53Å; V462-Q556 VanDerWaalsContact CA-O 3.29Å; V462-Q556 WeakPolarHBondContact CA-O 3.36Å; V462-V586 HydrophobicContact CG2-CG1 4.03Å; V462-V586 WeakPolarHBondContact CG2-O 3.29Å
463	T	83.6	Confident	72.6	Confident	72 Å²	72	66 Å²	66	44%	0.442	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.3	168.6	55.7	0	0	0	0	110.7	V555 Q556 V558	T463-V555 WeakPolarHBondContact O-CA 3.32Å; T463-Q556 PolarHBondContact N-O 2.91Å; T463-Q556 PolarHBondContact O-N 3.24Å; T463-V558 HydrophobicContact CG2-CG2 3.81Å
464	C	87.6	Confident	75.3	Confident	49 Å²	49	70.5 Å²	70.5	33%	0.331	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.2	177.2	-76.1	0	0	0	0	110.3	L553 E554 G590	C464-L553 HydrophobicContact CB-CD1 4.08Å; C464-L553 HydrophobicContact CB-CD2 4.11Å; C464-L553 HydrophobicContact CB-CG 4.15Å; C464-E554 CarbonylContact C-O 3.48Å; C464-E554 WeakPolarHBondContact CA-O 3.48Å; C464-G590 PolarHBondContact SG-O 3.5Å
465	Q	90	Very high	77.3	Confident	125 Å²	125	68.2 Å²	68.2	58%	0.584	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.4	178.6	-176.6	174.6	2.4	0	0	111.4	E554	Q465-E554 PolarHBondContact N-O 2.95Å; Q465-E554 PolarHBondContact O-N 3.13Å
466	E	93.2	Very high	78.9	Confident	100 Å²	100	74 Å²	74	47%	0.467	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.8	175	-165.3	-179.1	149.7	0	0	110.8	H468 L520 A552 L553	E466-H468 IonicContact OE1-CD2 2.76Å; E466-H468 IonicContact OE1-CE1 2.9Å; E466-H468 IonicContact OE1-NE2 3.74Å; E466-H468 PolarHBondContact OE1-NE2 2.94Å; E466-L520 HydrophobicContact CG-CD1 4.23Å; E466-A552 CarbonylContact C-O 3.58Å; E466-A552 WeakPolarHBondContact CA-O 3.49Å; E466-L553 HydrophobicContact CB-CD1 4.36Å
467	K	94	Very high	80.7	Confident	24 Å²	24	72.2 Å²	72.2	10%	0.104	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.6	178.7	-71.5	168.4	164.7	169.1	0	109.9	I469 R512 D517 K551 A552 E554	K467-I469 HydrophobicContact CB-CD1 3.77Å; K467-I469 HydrophobicContact CB-CG1 4.13Å; K467-I469 HydrophobicContact CD-CD1 4.02Å; K467-I469 HydrophobicContact CG-CD1 4.37Å; K467-R512 VanDerWaalsContact CE-O 3.23Å; K467-R512 WeakPolarHBondContact CE-O 3.5Å; K467-R512 PolarHBondContact NZ-O 2.65Å; K467-D517 IonicContact NZ-OD1 3.41Å; K467-D517 PolarHBondContact NZ-OD1 2.66Å; K467-D517 IonicContact NZ-OD2 3.17Å; K467-D517 PolarHBondContact NZ-OD2 3.35Å; K467-K551 WeakPolarHBondContact O-CA 3.44Å; K467-A552 HydrophobicContact CB-CB 4.48Å; K467-A552 PolarHBondContact N-O 3.24Å; K467-A552 PolarHBondContact O-N 3.13Å; K467-E554 HydrophobicContact CD-CB 4.02Å; K467-E554 VanDerWaalsContact CE-CB 3.5Å; K467-E554 WeakPolarHBondContact CE-OE2 3.5Å; K467-E554 IonicContact NZ-OE1 2.77Å; K467-E554 IonicContact NZ-OE2 3.5Å; K467-E554 PolarHBondContact NZ-OE2 3.22Å
468	H	94.9	Very high	82.3	Confident	118 Å²	118	74 Å²	74	55%	0.546	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	109.7	170.3	-72	-140.8	0	0	0	108.3	E466 K551	E466-H468 IonicContact OE1-CD2 2.76Å; E466-H468 IonicContact OE1-CE1 2.9Å; E466-H468 IonicContact OE1-NE2 3.74Å; E466-H468 PolarHBondContact OE1-NE2 2.94Å; H468-K551 WeakPolarHBondContact CE1-CE 3.08Å
469	I	94.4	Very high	83.8	Confident	5 Å²	5	73.9 Å²	73.9	3%	0.026	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	113.9	-166.8	-70.5	167.2	0	0	0	108.3	K467 V471 R512 I513 A549 L550	K467-I469 HydrophobicContact CB-CD1 3.77Å; K467-I469 HydrophobicContact CB-CG1 4.13Å; K467-I469 HydrophobicContact CD-CD1 4.02Å; K467-I469 HydrophobicContact CG-CD1 4.37Å; I469-V471 HydrophobicContact CG2-CG2 3.52Å; I469-R512 HydrophobicContact CD1-CB 3.53Å; I469-R512 HydrophobicContact CG1-CB 3.93Å; I469-I513 HydrophobicContact CD1-CD1 3.5Å; I469-I513 VanDerWaalsContact CD1-CD1 3.5Å; I469-I513 HydrophobicContact CD1-CG1 3.8Å; I469-A549 CarbonylContact O-C 3.57Å; I469-A549 WeakPolarHBondContact O-CA 3.29Å; I469-L550 HydrophobicContact CB-CB 4.36Å; I469-L550 PolarHBondContact N-O 2.91Å; I469-L550 PolarHBondContact O-N 2.93Å
470	T	94.1	Very high	85.5	Confident	89 Å²	89	69.2 Å²	69.2	55%	0.546	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.4	167	-57.5	0	0	0	0	108.7	R512 V548	T470-R512 PolarHBondContact O-NH2 3.47Å; T470-V548 WeakPolarHBondContact CA-O 3.47Å
471	V	92.7	Very high	87.2	Confident	9 Å²	9	65.3 Å²	65.3	6%	0.055	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.3	179.1	-166.6	0	0	0	0	109.2	I469 C506 L507 D510 A547 V548	I469-V471 HydrophobicContact CG2-CG2 3.52Å; V471-C506 VanDerWaalsContact CG1-SG 3.52Å; V471-L507 HydrophobicContact CG2-CD2 3.88Å; V471-D510 HydrophobicContact CG1-CB 4.24Å; V471-D510 HydrophobicContact CG2-CB 4.28Å; V471-A547 WeakPolarHBondContact O-CA 3.34Å; V471-V548 PolarHBondContact N-O 2.89Å; V471-V548 PolarHBondContact O-N 3.46Å
472	K	90.8	Very high	88.5	Confident	178 Å²	178	67.5 Å²	67.5	77%	0.774	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	138.7	171	-65.3	-179.5	-179.5	178.9	0	108.9	P546	K472-P546 WeakPolarHBondContact CA-O 3.42Å
473	K	88.5	Confident	89.2	Confident	11 Å²	11	68.2 Å²	68.2	5%	0.048	36%	0.355	C	S	.	.			trans	-143.1	160.8	-177.8	71.7	172.3	-157.1	70.1	0	111.1	P475 E477 L479 C506 A543 S545 P546 V548	K473-P475 PolarHBondContact NZ-O 3.49Å; K473-E477 WeakPolarHBondContact CD-O 3.45Å; K473-E477 VanDerWaalsContact CE-O 3.31Å; K473-E477 WeakPolarHBondContact CE-O 3.28Å; K473-E477 PolarHBondContact NZ-O 3.38Å; K473-L479 HydrophobicContact CD-CD2 4.41Å; K473-C506 VanDerWaalsContact CB-SG 3.53Å; K473-A543 VanDerWaalsContact CE-C 3.5Å; K473-A543 WeakPolarHBondContact CE-O 3.28Å; K473-A543 PolarHBondContact NZ-O 2.75Å; K473-S545 WeakPolarHBondContact CE-O 3.26Å; K473-P546 PolarHBondContact N-O 3.21Å; K473-P546 WeakPolarHBondContact O-CA 3.39Å; K473-V548 HydrophobicContact CD-CG2 4.46Å
474	E	85.4	Confident	89.6	Confident	134 Å²	134	66.1 Å²	66.1	63%	0.626	34%	0.344	S	S	*	.			trans	-69	149.1	169.9	-65.1	-55.5	142.6	0	0	110.9	H476 E477	E474-H476 PolarHBondContact O-N 2.85Å; E474-H476 VanDerWaalsContact O-N 3.09Å; E474-E477 HydrophobicContact CB-CB 4.01Å; E474-E477 PolarHBondContact O-N 2.94Å
475	P	77.5	Confident	89.7	Confident	66 Å²	66	64 Å²	64	43%	0.429	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-35.1	-176.9	-28.8	36	0	0	0	113.9	K473	K473-P475 PolarHBondContact NZ-O 3.49Å
476	H	78.9	Confident	89.6	Confident	193 Å²	193	58.1 Å²	58.1	89%	0.894	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.9	-178.5	-52.7	-54.9	0	0	0	114.2	E474	E474-H476 PolarHBondContact O-N 2.85Å; E474-H476 VanDerWaalsContact O-N 3.09Å
477	E	86.3	Confident	89.3	Confident	45 Å²	45	61 Å²	61	21%	0.21	31%	0.31	C	S	.	.			trans	-82.6	137.5	179.1	-172.7	-178.8	-157.9	0	0	111.3	K473 E474 C506 R509	K473-E477 WeakPolarHBondContact CD-O 3.45Å; K473-E477 VanDerWaalsContact CE-O 3.31Å; K473-E477 WeakPolarHBondContact CE-O 3.28Å; K473-E477 PolarHBondContact NZ-O 3.38Å; E474-E477 HydrophobicContact CB-CB 4.01Å; E474-E477 PolarHBondContact O-N 2.94Å; E477-C506 HydrophobicContact CG-CB 4.38Å; E477-R509 VanDerWaalsContact CD-NH2 3.27Å; E477-R509 IonicContact OE1-CZ 2.7Å; E477-R509 IonicContact OE1-NH1 3.64Å; E477-R509 PolarHBondContact OE1-NH1 3.46Å; E477-R509 IonicContact OE1-NH2 3.37Å; E477-R509 PolarHBondContact OE1-NH2 3.24Å; E477-R509 IonicContact OE2-NH2 2.7Å; E477-R509 PolarHBondContact OE2-NH2 2.76Å
478	S	87.9	Confident	88.4	Confident	80 Å²	80	62.9 Å²	62.9	56%	0.559	34%	0.337	S	S	*	.			trans	-76.8	157.4	172	84.5	0	0	0	0	111.9	G480 C506	S478-G480 PolarHBondContact O-N 3.09Å; S478-G480 VanDerWaalsContact O-N 3.14Å; S478-G480 PolarHBondContact OG-N 3.31Å; S478-C506 WeakPolarHBondContact O-CB 3.31Å
479	L	88.6	Confident	87.4	Confident	13 Å²	13	58.6 Å²	58.6	7%	0.068	32%	0.32	C	S	.	.			trans	-58.6	-25.9	172.8	-73.1	169.7	0	0	0	113	K473 M481 C506 L507 I522 A543 V548	K473-L479 HydrophobicContact CD-CD2 4.41Å; L479-M481 HydrophobicContact CD1-CE 4.27Å; L479-C506 WeakPolarHBondContact O-CB 3.36Å; L479-L507 HydrophobicContact CB-CD1 3.91Å; L479-L507 HydrophobicContact CB-CG 4.49Å; L479-L507 WeakPolarHBondContact O-CB 3.31Å; L479-L507 WeakPolarHBondContact O-CD1 3.38Å; L479-L507 WeakPolarHBondContact O-CG 3.45Å; L479-L507 PolarHBondContact O-N 2.86Å; L479-I522 HydrophobicContact CD1-CD1 4.16Å; L479-A543 HydrophobicContact CD1-CB 4.14Å; L479-A543 HydrophobicContact CG-CB 4.03Å; L479-V548 HydrophobicContact CD2-CB 4.09Å; L479-V548 HydrophobicContact CD2-CG1 4.12Å; L479-V548 HydrophobicContact CD2-CG2 4.02Å
480	G	89.6	Confident	86	Confident	7 Å²	7	69 Å²	69	7%	0.072	37%	0.365	C	S	.	.			trans	69.2	52.4	-179.4	0	0	0	0	0	112.6	S478 V501 P502	S478-G480 PolarHBondContact O-N 3.09Å; S478-G480 VanDerWaalsContact O-N 3.14Å; S478-G480 PolarHBondContact OG-N 3.31Å; G480-V501 WeakPolarHBondContact O-CG1 3.32Å; G480-P502 WeakPolarHBondContact O-CD 3.35Å
481	M	91.9	Very high	84.6	Confident	33 Å²	33	68.4 Å²	68.4	16%	0.163	37%	0.365	C	S	.	.			trans	-144.6	157	166.5	61.8	161.9	146.5	0	0	111.1	L479 V483 V498 S500 L507 L519 L539 L550	L479-M481 HydrophobicContact CD1-CE 4.27Å; M481-V483 HydrophobicContact SD-CG1 3.91Å; M481-V498 HydrophobicContact CB-CG1 4.32Å; M481-V498 HydrophobicContact SD-CG2 3.75Å; M481-S500 CarbonylContact C-O 3.53Å; M481-S500 WeakPolarHBondContact CA-O 3.31Å; M481-L507 HydrophobicContact CB-CD1 3.96Å; M481-L507 HydrophobicContact CE-CD1 3.6Å; M481-L507 HydrophobicContact CG-CD1 3.65Å; M481-L507 HydrophobicContact SD-CD1 3.88Å; M481-L519 HydrophobicContact CE-CD1 3.73Å; M481-L519 HydrophobicContact CE-CD2 4.38Å; M481-L519 HydrophobicContact SD-CD1 3.88Å; M481-L539 HydrophobicContact CE-CD2 4.27Å; M481-L550 HydrophobicContact CE-CD1 4.13Å; M481-L550 HydrophobicContact CE-CD2 4.33Å
482	T	91.1	Very high	83.7	Confident	58 Å²	58	69.4 Å²	69.4	36%	0.356	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.4	165.2	66.3	0	0	0	0	109.6	V498 T499 S500	T482-V498 WeakPolarHBondContact O-CA 3.27Å; T482-T499 VanDerWaalsContact C-OG1 3.24Å; T482-T499 WeakPolarHBondContact CB-OG1 3.48Å; T482-T499 PolarHBondContact O-N 2.89Å; T482-T499 PolarHBondContact O-OG1 3.39Å; T482-T499 PolarHBondContact OG1-OG1 3.35Å; T482-S500 PolarHBondContact N-O 3.25Å; T482-S500 PolarHBondContact OG1-N 3.21Å; T482-S500 PolarHBondContact OG1-OG 2.88Å
483	V	92.8	Very high	83.2	Confident	24 Å²	24	63.7 Å²	63.7	15%	0.145	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.8	-179.3	-62.4	0	0	0	0	111.3	M481 I496 F497 T499 L519 H532 V536 L539	M481-V483 HydrophobicContact SD-CG1 3.91Å; V483-I496 HydrophobicContact CB-CG2 4.09Å; V483-I496 HydrophobicContact CG1-CG2 4.33Å; V483-I496 HydrophobicContact CG2-CG2 4.43Å; V483-F497 CarbonylContact C-O 3.51Å; V483-F497 WeakPolarHBondContact CA-O 3.33Å; V483-F497 WeakPolarHBondContact CB-O 3.3Å; V483-T499 PolarHBondContact N-OG1 3.14Å; V483-L519 HydrophobicContact CG1-CD1 3.73Å; V483-H532 PolarHBondContact O-CE1 2.93Å; V483-V536 HydrophobicContact CG2-CG2 3.92Å; V483-L539 HydrophobicContact CG1-CD1 4.02Å; V483-L539 HydrophobicContact CG2-CD1 3.82Å
484	A	91.1	Very high	83.2	Confident	27 Å²	27	63.8 Å²	63.8	22%	0.223	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	-175.3	171	0	0	0	0	0	110.7	I496 F497 T499	A484-I496 WeakPolarHBondContact O-CA 3.4Å; A484-F497 HydrophobicContact CB-CE1 3.85Å; A484-F497 HydrophobicContact CB-CE2 4.17Å; A484-F497 HydrophobicContact CB-CZ 3.65Å; A484-F497 PolarHBondContact N-O 3.25Å; A484-F497 PolarHBondContact O-N 3.39Å; A484-T499 HydrophobicContact CB-CG2 3.5Å
485	G	89.9	Confident	83.5	Confident	6 Å²	6	57.7 Å²	57.7	6%	0.062	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.1	-160.1	-171.8	0	0	0	0	0	112.8	H532	G485-H532 WeakPolarHBondContact O-CB 3.49Å; G485-H532 PolarHBondContact O-ND1 3.27Å
486	G	88.3	Confident	84.3	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.1	158.8	-171.3	0	0	0	0	0	112.1	G488 S489 L494 I496 L530	G486-G488 PolarHBondContact O-N 3.12Å; G486-S489 WeakPolarHBondContact O-CB 3.17Å; G486-S489 PolarHBondContact O-N 3.31Å; G486-L494 CarbonylContact C-O 3.52Å; G486-L494 VanDerWaalsContact CA-O 3.24Å; G486-L494 WeakPolarHBondContact CA-O 3.48Å; G486-L494 PolarHBondContact N-O 3.39Å; G486-I496 VanDerWaalsContact CA-CD1 3.44Å; G486-L530 WeakPolarHBondContact CA-O 3.28Å
487	R	86.4	Confident	84.9	Confident	159 Å²	159	46 Å²	46	60%	0.6	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	134.7	179.7	-167.1	-179.6	174.8	-160.3	-1.5	111.4	S489 E493 L530	R487-S489 VanDerWaalsContact C-N 3.29Å; R487-S489 PolarHBondContact O-N 3.13Å; R487-E493 HydrophobicContact CG-CG 4.41Å; R487-E493 VanDerWaalsContact CG-OE1 3.25Å; R487-E493 WeakPolarHBondContact CG-OE1 3.49Å; R487-E493 IonicContact NE-OE1 2.93Å; R487-E493 PolarHBondContact NE-OE1 3.19Å; R487-L530 PolarHBondContact N-O 2.95Å
488	G	74.6	Confident	85.3	Confident	64 Å²	64	43.8 Å²	43.8	66%	0.66	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	68.6	19.4	-178.4	0	0	0	0	0	115.1	G486	G486-G488 PolarHBondContact O-N 3.12Å
489	S	75.8	Confident	85.4	Confident	29 Å²	29	41.4 Å²	41.4	20%	0.203	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	154.2	174.9	94.8	0	0	0	0	111.5	G486 R487 S491 G492	G486-S489 WeakPolarHBondContact O-CB 3.17Å; G486-S489 PolarHBondContact O-N 3.31Å; R487-S489 VanDerWaalsContact C-N 3.29Å; R487-S489 PolarHBondContact O-N 3.13Å; S489-S491 PolarHBondContact O-N 2.9Å; S489-S491 PolarHBondContact OG-N 3.34Å; S489-G492 WeakPolarHBondContact CB-O 3.42Å; S489-G492 PolarHBondContact N-O 3.07Å; S489-G492 PolarHBondContact O-N 3Å; S489-G492 PolarHBondContact OG-O 2.79Å
490	K	64.2	Low	85.5	Confident	222 Å²	222	41.9 Å²	41.9	97%	0.965	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.5	177.8	-66.7	-176.2	178.7	-178.7	0	113.8
491	S	65.4	Low	85.5	Confident	77 Å²	77	42.7 Å²	42.7	54%	0.538	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	10.9	-179.2	-50.8	0	0	0	0	113.2	S489	S489-S491 PolarHBondContact O-N 2.9Å; S489-S491 PolarHBondContact OG-N 3.34Å
492	G	71.9	Confident	85.4	Confident	31 Å²	31	43.3 Å²	43.3	32%	0.32	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.4	176.8	-177.3	0	0	0	0	0	113.6	S489 L494	S489-G492 WeakPolarHBondContact CB-O 3.42Å; S489-G492 PolarHBondContact N-O 3.07Å; S489-G492 PolarHBondContact O-N 3Å; S489-G492 PolarHBondContact OG-O 2.79Å; G492-L494 VanDerWaalsContact C-N 3.3Å; G492-L494 PolarHBondContact O-N 2.81Å
493	E	82.2	Confident	84.9	Confident	58 Å²	58	43.7 Å²	43.7	27%	0.271	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	78.1	173	-67	-162.7	143.5	0	0	110.3	R487 S597 H599	R487-E493 HydrophobicContact CG-CG 4.41Å; R487-E493 VanDerWaalsContact CG-OE1 3.25Å; R487-E493 WeakPolarHBondContact CG-OE1 3.49Å; R487-E493 IonicContact NE-OE1 2.93Å; R487-E493 PolarHBondContact NE-OE1 3.19Å; E493-S597 PolarHBondContact OE2-OG 3.24Å; E493-H599 IonicContact OE2-CD2 3.35Å; E493-H599 IonicContact OE2-CE1 3.53Å; E493-H599 IonicContact OE2-NE2 2.67Å; E493-H599 PolarHBondContact OE2-NE2 3.09Å
494	L	88.1	Confident	84.5	Confident	12 Å²	12	50.4 Å²	50.4	6%	0.063	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	150.7	178	-66.6	175.9	0	0	0	111.1	G486 G492 F497 W588 W685 P686	G486-L494 CarbonylContact C-O 3.52Å; G486-L494 VanDerWaalsContact CA-O 3.24Å; G486-L494 WeakPolarHBondContact CA-O 3.48Å; G486-L494 PolarHBondContact N-O 3.39Å; G492-L494 VanDerWaalsContact C-N 3.3Å; G492-L494 PolarHBondContact O-N 2.81Å; L494-F497 HydrophobicContact CD1-CE1 4.12Å; L494-W588 HydrophobicContact CD1-CH2 4.26Å; L494-W588 HydrophobicContact CD1-CZ2 4.04Å; L494-W588 HydrophobicContact CD2-CD2 4.25Å; L494-W588 HydrophobicContact CD2-CE3 4.27Å; L494-W588 HydrophobicContact CD2-CH2 4.1Å; L494-W588 HydrophobicContact CD2-CZ2 4.03Å; L494-W588 HydrophobicContact CD2-CZ3 4.22Å; L494-W685 HydrophobicContact CD2-CE3 3.92Å; L494-W685 HydrophobicContact CD2-CZ3 3.95Å; L494-P686 HydrophobicContact CD1-CG 4.15Å; L494-P686 HydrophobicContact CD2-CG 3.83Å; L494-P686 HydrophobicContact CG-CG 4.42Å
495	P	91.3	Very high	84.3	Confident	7 Å²	7	49.8 Å²	49.8	5%	0.045	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	164.2	166.1	32.6	-37.2	0	0	0	110.4	F497 V518 W588 L591	P495-F497 WeakPolarHBondContact O-CD1 3.45Å; P495-F497 PolarHBondContact O-N 3.49Å; P495-V518 HydrophobicContact CB-CG1 3.64Å; P495-V518 HydrophobicContact CG-CG1 3.82Å; P495-W588 HydrophobicContact CG-CZ3 4.26Å; P495-L591 HydrophobicContact CG-CD1 3.94Å
496	I	93.3	Very high	84.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.1	175.5	-58.5	-67	0	0	0	109	V483 A484 G486 V518 L519 A535	V483-I496 HydrophobicContact CB-CG2 4.09Å; V483-I496 HydrophobicContact CG1-CG2 4.33Å; V483-I496 HydrophobicContact CG2-CG2 4.43Å; A484-I496 WeakPolarHBondContact O-CA 3.4Å; G486-I496 VanDerWaalsContact CA-CD1 3.44Å; I496-V518 CarbonylContact O-C 3.58Å; I496-V518 WeakPolarHBondContact O-CA 3.39Å; I496-V518 WeakPolarHBondContact O-CG1 3.45Å; I496-L519 HydrophobicContact CB-CB 4.47Å; I496-L519 HydrophobicContact CG2-CB 4.17Å; I496-L519 HydrophobicContact CG2-CD1 4.12Å; I496-L519 HydrophobicContact CG2-CG 4.43Å; I496-L519 PolarHBondContact O-N 3.03Å; I496-A535 HydrophobicContact CD1-CB 3.35Å; I496-A535 HydrophobicContact CG1-CB 3.61Å; I496-A535 HydrophobicContact CG2-CB 4.5Å
497	F	93.3	Very high	84.5	Confident	12 Å²	12	49.6 Å²	49.6	5%	0.053	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.8	-179.4	70	-84.5	0	0	0	112.6	V483 A484 L494 P495 T499 D517 V518 W581 P583 W588	V483-F497 CarbonylContact C-O 3.51Å; V483-F497 WeakPolarHBondContact CA-O 3.33Å; V483-F497 WeakPolarHBondContact CB-O 3.3Å; A484-F497 HydrophobicContact CB-CE1 3.85Å; A484-F497 HydrophobicContact CB-CE2 4.17Å; A484-F497 HydrophobicContact CB-CZ 3.65Å; A484-F497 PolarHBondContact N-O 3.25Å; A484-F497 PolarHBondContact O-N 3.39Å; L494-F497 HydrophobicContact CD1-CE1 4.12Å; P495-F497 WeakPolarHBondContact O-CD1 3.45Å; P495-F497 PolarHBondContact O-N 3.49Å; F497-T499 HydrophobicContact CD2-CG2 4.23Å; F497-T499 HydrophobicContact CE2-CG2 3.6Å; F497-T499 HydrophobicContact CZ-CG2 4.2Å; F497-D517 WeakPolarHBondContact CA-O 3.45Å; F497-V518 HydrophobicContact CB-CG2 4.25Å; F497-W581 HydrophobicContact CD2-CZ3 4.31Å; F497-W581 HydrophobicContact CE2-CZ3 4.18Å; F497-P583 HydrophobicContact CD2-CG 3.97Å; F497-P583 HydrophobicContact CE2-CG 3.73Å; F497-P583 HydrophobicContact CZ-CG 4.28Å; F497-W588 AromaticContact CD1-CH2 3.66Å; F497-W588 HydrophobicContact CD1-CH2 3.66Å; F497-W588 HydrophobicContact CD1-CZ3 4.49Å; F497-W588 AromaticContact CE1-CH2 3.71Å; F497-W588 HydrophobicContact CE1-CH2 3.71Å; F497-W588 HydrophobicContact CE1-CZ2 4.2Å; F497-W588 HydrophobicContact CG-CH2 4.09Å; F497-W588 HydrophobicContact CZ-CH2 4.18Å; F497-W588 HydrophobicContact CZ-CZ2 4.35Å
498	V	93.3	Very high	84.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.3	-178.3	-179.7	0	0	0	0	110.6	M481 T482 V501 I513 G516 D517 L519	M481-V498 HydrophobicContact CB-CG1 4.32Å; M481-V498 HydrophobicContact SD-CG2 3.75Å; T482-V498 WeakPolarHBondContact O-CA 3.27Å; V498-V501 HydrophobicContact CG1-CG2 3.66Å; V498-I513 HydrophobicContact CG1-CG2 4.33Å; V498-I513 HydrophobicContact CG2-CG2 3.96Å; V498-G516 PolarHBondContact O-N 3.17Å; V498-D517 HydrophobicContact CG2-CB 4.46Å; V498-D517 WeakPolarHBondContact CG2-O 3.39Å; V498-D517 PolarHBondContact N-O 2.8Å; V498-L519 HydrophobicContact CG2-CD1 4.33Å; V498-L519 HydrophobicContact CG2-CD2 3.88Å; V498-L519 HydrophobicContact CG2-CG 4.06Å
499	T	90.4	Very high	85.5	Confident	29 Å²	29	47.8 Å²	47.8	18%	0.178	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-32.7	177.7	37.3	0	0	0	0	113.3	T482 V483 A484 F497 R515	T482-T499 VanDerWaalsContact C-OG1 3.24Å; T482-T499 WeakPolarHBondContact CB-OG1 3.48Å; T482-T499 PolarHBondContact O-N 2.89Å; T482-T499 PolarHBondContact O-OG1 3.39Å; T482-T499 PolarHBondContact OG1-OG1 3.35Å; V483-T499 PolarHBondContact N-OG1 3.14Å; A484-T499 HydrophobicContact CB-CG2 3.5Å; F497-T499 HydrophobicContact CD2-CG2 4.23Å; F497-T499 HydrophobicContact CE2-CG2 3.6Å; F497-T499 HydrophobicContact CZ-CG2 4.2Å; T499-R515 WeakPolarHBondContact O-CD 3.38Å; T499-R515 WeakPolarHBondContact O-CG 3.31Å
500	S	89.9	Confident	86.2	Confident	24 Å²	24	48.7 Å²	48.7	17%	0.168	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	154.5	173.4	72.9	0	0	0	0	111.6	M481 T482	M481-S500 CarbonylContact C-O 3.53Å; M481-S500 WeakPolarHBondContact CA-O 3.31Å; T482-S500 PolarHBondContact N-O 3.25Å; T482-S500 PolarHBondContact OG1-N 3.21Å; T482-S500 PolarHBondContact OG1-OG 2.88Å
501	V	91.4	Very high	87.5	Confident	23 Å²	23	40.2 Å²	40.2	14%	0.139	24%	0.239	C	C	.	.			trans	-122.2	93.1	174.2	-172.2	0	0	0	0	107	G480 V498 L507 A508 I513	G480-V501 WeakPolarHBondContact O-CG1 3.32Å; V498-V501 HydrophobicContact CG1-CG2 3.66Å; V501-L507 HydrophobicContact CG1-CB 4.06Å; V501-A508 HydrophobicContact CG1-CB 3.98Å; V501-I513 HydrophobicContact CG2-CG2 4.15Å
502	P	88	Confident	88.8	Confident	47 Å²	47	41.5 Å²	41.5	31%	0.305	23%	0.232	S	C	.	.			trans	-53.9	140.8	-176.8	-31.2	36.7	0	0	0	113.7	G480 G505 A508	G480-P502 WeakPolarHBondContact O-CD 3.35Å; P502-G505 PolarHBondContact O-N 3.11Å; P502-A508 VanDerWaalsContact O-CB 3.32Å; P502-A508 WeakPolarHBondContact O-CB 3.19Å
503	P	82.6	Confident	89.9	Confident	66 Å²	66	40.3 Å²	40.3	43%	0.429	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	149.4	-174.3	30.4	-32.2	0	0	0	110	G505 Y577	P503-G505 PolarHBondContact O-N 3.04Å; P503-Y577 HydrophobicContact CB-CE1 4.44Å; P503-Y577 HydrophobicContact CG-CE1 4.07Å
504	H	84.4	Confident	90.3	Very high	165 Å²	165	42.3 Å²	42.3	76%	0.764	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	-6.1	-173.5	-41.5	-71.8	0	0	0	116	R509	H504-R509 PolarHBondContact O-NH1 3.13Å
505	G	86.4	Confident	90.4	Very high	13 Å²	13	43.9 Å²	43.9	13%	0.134	23%	0.231	C	C	.	.	S	Bend	trans	-61.8	161	172.4	0	0	0	0	0	113.1	P502 P503 L507 A508 R509	P502-G505 PolarHBondContact O-N 3.11Å; P503-G505 PolarHBondContact O-N 3.04Å; G505-L507 VanDerWaalsContact C-N 3.33Å; G505-L507 PolarHBondContact O-N 2.82Å; G505-A508 WeakPolarHBondContact O-CB 3.48Å; G505-A508 PolarHBondContact O-N 2.93Å; G505-R509 PolarHBondContact O-N 3.12Å
506	C	90.7	Very high	90.4	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.027	23%	0.232	C	C	.	.	H	α-helix	trans	-52.7	-48.1	-175.9	-173.9	0	0	0	0	112.8	V471 K473 E477 S478 L479 R509 D510	V471-C506 VanDerWaalsContact CG1-SG 3.52Å; K473-C506 VanDerWaalsContact CB-SG 3.53Å; E477-C506 HydrophobicContact CG-CB 4.38Å; S478-C506 WeakPolarHBondContact O-CB 3.31Å; L479-C506 WeakPolarHBondContact O-CB 3.36Å; C506-R509 PolarHBondContact O-N 3.41Å; C506-D510 PolarHBondContact O-N 3.32Å
507	L	91.8	Very high	90.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-72.1	-29.8	177.1	-70.4	166.5	0	0	0	114	V471 L479 M481 V501 G505 R509 D510 G511 I513 L550	V471-L507 HydrophobicContact CG2-CD2 3.88Å; L479-L507 HydrophobicContact CB-CD1 3.91Å; L479-L507 HydrophobicContact CB-CG 4.49Å; L479-L507 WeakPolarHBondContact O-CB 3.31Å; L479-L507 WeakPolarHBondContact O-CD1 3.38Å; L479-L507 WeakPolarHBondContact O-CG 3.45Å; L479-L507 PolarHBondContact O-N 2.86Å; M481-L507 HydrophobicContact CB-CD1 3.96Å; M481-L507 HydrophobicContact CE-CD1 3.6Å; M481-L507 HydrophobicContact CG-CD1 3.65Å; M481-L507 HydrophobicContact SD-CD1 3.88Å; V501-L507 HydrophobicContact CG1-CB 4.06Å; G505-L507 VanDerWaalsContact C-N 3.33Å; G505-L507 PolarHBondContact O-N 2.82Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 3.31Å; L507-D510 PolarHBondContact O-N 3.35Å; L507-G511 PolarHBondContact O-N 3.21Å; L507-I513 HydrophobicContact CB-CB 4.5Å; L507-I513 HydrophobicContact CD2-CB 4.22Å; L507-I513 HydrophobicContact CD2-CG1 3.87Å; L507-L550 HydrophobicContact CD1-CD1 4.41Å; L507-L550 HydrophobicContact CD2-CD1 3.89Å
508	A	90.1	Very high	90.5	Very high	39 Å²	39	43.4 Å²	43.4	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-65.5	-35.6	173.5	0	0	0	0	0	111.9	V501 P502 G505	V501-A508 HydrophobicContact CG1-CB 3.98Å; P502-A508 VanDerWaalsContact O-CB 3.32Å; P502-A508 WeakPolarHBondContact O-CB 3.19Å; G505-A508 WeakPolarHBondContact O-CB 3.48Å; G505-A508 PolarHBondContact O-N 2.93Å
509	R	90.8	Very high	90.6	Very high	146 Å²	146	43.4 Å²	43.4	55%	0.551	23%	0.23	S	C	*	.	H	α-helix	trans	-72.4	-29.9	175.3	-62.4	-168.1	-52.1	-90	4	113.1	E477 H504 G505 C506 L507	E477-R509 VanDerWaalsContact CD-NH2 3.27Å; E477-R509 IonicContact OE1-CZ 2.7Å; E477-R509 IonicContact OE1-NH1 3.64Å; E477-R509 PolarHBondContact OE1-NH1 3.46Å; E477-R509 IonicContact OE1-NH2 3.37Å; E477-R509 PolarHBondContact OE1-NH2 3.24Å; E477-R509 IonicContact OE2-NH2 2.7Å; E477-R509 PolarHBondContact OE2-NH2 2.76Å; H504-R509 PolarHBondContact O-NH1 3.13Å; G505-R509 PolarHBondContact O-N 3.12Å; C506-R509 PolarHBondContact O-N 3.41Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 3.31Å
510	D	91.8	Very high	90.8	Very high	48 Å²	48	43.4 Å²	43.4	26%	0.257	23%	0.229	S	C	.	.	H	α-helix	trans	-76.7	-35	174	-175.7	-89.6	0	0	0	112.1	V471 C506 L507 R512	V471-D510 HydrophobicContact CG1-CB 4.24Å; V471-D510 HydrophobicContact CG2-CB 4.28Å; C506-D510 PolarHBondContact O-N 3.32Å; L507-D510 PolarHBondContact O-N 3.35Å; D510-R512 PolarHBondContact O-N 3.03Å; D510-R512 VanDerWaalsContact O-N 3.1Å; D510-R512 WeakPolarHBondContact OD1-CB 3.19Å; D510-R512 WeakPolarHBondContact OD1-CG 3.45Å; D510-R512 IonicContact OD1-CZ 3.69Å; D510-R512 PolarHBondContact OD1-N 3.05Å; D510-R512 IonicContact OD1-NE 2.64Å; D510-R512 PolarHBondContact OD1-NE 2.98Å; D510-R512 IonicContact OD1-NH2 3.17Å; D510-R512 PolarHBondContact OD1-NH2 3.28Å; D510-R512 IonicContact OD2-CZ 3.5Å; D510-R512 IonicContact OD2-NE 2.76Å; D510-R512 PolarHBondContact OD2-NE 3.25Å; D510-R512 IonicContact OD2-NH2 3.39Å; D510-R512 PolarHBondContact OD2-NH2 2.93Å
511	G	90.2	Very high	91.1	Very high	44 Å²	44	43.7 Å²	43.7	45%	0.454	23%	0.228	S	C	.	.			trans	73	-5.7	171.1	0	0	0	0	0	116.1	L507	L507-G511 PolarHBondContact O-N 3.21Å
512	R	93.4	Very high	91.3	Very high	104 Å²	104	42.6 Å²	42.6	39%	0.392	22%	0.222	S	C	.	.			trans	-82.8	-28.6	-178.8	-62.9	179	-72.1	176.7	-8.6	113.8	K467 I469 T470 D510	K467-R512 VanDerWaalsContact CE-O 3.23Å; K467-R512 WeakPolarHBondContact CE-O 3.5Å; K467-R512 PolarHBondContact NZ-O 2.65Å; I469-R512 HydrophobicContact CD1-CB 3.53Å; I469-R512 HydrophobicContact CG1-CB 3.93Å; T470-R512 PolarHBondContact O-NH2 3.47Å; D510-R512 PolarHBondContact O-N 3.03Å; D510-R512 VanDerWaalsContact O-N 3.1Å; D510-R512 WeakPolarHBondContact OD1-CB 3.19Å; D510-R512 WeakPolarHBondContact OD1-CG 3.45Å; D510-R512 IonicContact OD1-CZ 3.69Å; D510-R512 PolarHBondContact OD1-N 3.05Å; D510-R512 IonicContact OD1-NE 2.64Å; D510-R512 PolarHBondContact OD1-NE 2.98Å; D510-R512 IonicContact OD1-NH2 3.17Å; D510-R512 PolarHBondContact OD1-NH2 3.28Å; D510-R512 IonicContact OD2-CZ 3.5Å; D510-R512 IonicContact OD2-NE 2.76Å; D510-R512 PolarHBondContact OD2-NE 3.25Å; D510-R512 IonicContact OD2-NH2 3.39Å; D510-R512 PolarHBondContact OD2-NH2 2.93Å
513	I	93.8	Very high	91.5	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	22%	0.223	C	C	.	.			trans	-86.3	130.5	169.7	-67.8	-62.2	0	0	0	109.4	I469 V498 V501 L507 D517 L519 L550 A552	I469-I513 HydrophobicContact CD1-CD1 3.5Å; I469-I513 VanDerWaalsContact CD1-CD1 3.5Å; I469-I513 HydrophobicContact CD1-CG1 3.8Å; V498-I513 HydrophobicContact CG1-CG2 4.33Å; V498-I513 HydrophobicContact CG2-CG2 3.96Å; V501-I513 HydrophobicContact CG2-CG2 4.15Å; L507-I513 HydrophobicContact CB-CB 4.5Å; L507-I513 HydrophobicContact CD2-CB 4.22Å; L507-I513 HydrophobicContact CD2-CG1 3.87Å; I513-D517 VanDerWaalsContact CA-OD2 3.29Å; I513-D517 WeakPolarHBondContact CA-OD2 3.36Å; I513-L519 HydrophobicContact CD1-CD2 4.45Å; I513-L550 HydrophobicContact CD1-CD1 4.47Å; I513-L550 HydrophobicContact CG1-CD1 4.19Å; I513-A552 HydrophobicContact CD1-CB 3.68Å
514	K	91.9	Very high	91.9	Very high	101 Å²	101	43.1 Å²	43.1	44%	0.439	23%	0.233	S	C	.	.			trans	-123.6	163.4	177.8	-59.8	177	-169.4	161.3	0	111.1	G516 D517 E554	K514-G516 PolarHBondContact O-N 2.83Å; K514-D517 PolarHBondContact N-OD2 3.2Å; K514-D517 WeakPolarHBondContact O-CB 3.41Å; K514-D517 PolarHBondContact O-N 3.46Å; K514-D517 VanDerWaalsContact O-N 3.16Å; K514-E554 IonicContact NZ-OE1 2.66Å; K514-E554 PolarHBondContact NZ-OE1 3.16Å
515	R	90.5	Very high	92.4	Very high	45 Å²	45	38 Å²	38	17%	0.17	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	131.5	164.8	169.4	167	147	175.1	-13.4	109.4	T499 E574 N575 E576 W581	T499-R515 WeakPolarHBondContact O-CD 3.38Å; T499-R515 WeakPolarHBondContact O-CG 3.31Å; R515-E574 IonicContact CZ-OE2 3.62Å; R515-E574 IonicContact NE-OE2 2.78Å; R515-E574 IonicContact NH2-OE2 3.93Å; R515-E574 PolarHBondContact NH2-OE2 2.58Å; R515-N575 PolarHBondContact NH1-O 3.22Å; R515-E576 VanDerWaalsContact NH1-C 3.28Å; R515-E576 PolarHBondContact NH1-O 3.39Å; R515-W581 HydrophobicContact CG-CD2 4.01Å; R515-W581 HydrophobicContact CG-CE3 3.76Å; R515-W581 HydrophobicContact CG-CH2 3.98Å; R515-W581 HydrophobicContact CG-CZ2 4.2Å; R515-W581 HydrophobicContact CG-CZ3 3.75Å; R515-W581 VanDerWaalsContact NE-CD2 3.31Å; R515-W581 VanDerWaalsContact NE-CG 3.25Å; R515-W581 VanDerWaalsContact NH2-CG 3.29Å
516	G	90.3	Very high	92.7	Very high	6 Å²	6	41.1 Å²	41.1	6%	0.062	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-13.6	-174	0	0	0	0	0	116.2	V498 K514 V518 M587	V498-G516 PolarHBondContact O-N 3.17Å; K514-G516 PolarHBondContact O-N 2.83Å; G516-V518 PolarHBondContact O-N 3.25Å; G516-M587 WeakPolarHBondContact O-CE 3.38Å
517	D	93.6	Very high	92.9	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-61.9	132.7	173.4	-75.7	-21	0	0	0	110.3	K467 F497 V498 I513 K514 A552 L553 E554	K467-D517 IonicContact NZ-OD1 3.41Å; K467-D517 PolarHBondContact NZ-OD1 2.66Å; K467-D517 IonicContact NZ-OD2 3.17Å; K467-D517 PolarHBondContact NZ-OD2 3.35Å; F497-D517 WeakPolarHBondContact CA-O 3.45Å; V498-D517 HydrophobicContact CG2-CB 4.46Å; V498-D517 WeakPolarHBondContact CG2-O 3.39Å; V498-D517 PolarHBondContact N-O 2.8Å; I513-D517 VanDerWaalsContact CA-OD2 3.29Å; I513-D517 WeakPolarHBondContact CA-OD2 3.36Å; K514-D517 PolarHBondContact N-OD2 3.2Å; K514-D517 WeakPolarHBondContact O-CB 3.41Å; K514-D517 PolarHBondContact O-N 3.46Å; K514-D517 VanDerWaalsContact O-N 3.16Å; D517-A552 HydrophobicContact CB-CB 4.39Å; D517-L553 WeakPolarHBondContact CA-O 3.43Å; D517-E554 VanDerWaalsContact OD1-CA 3.26Å; D517-E554 WeakPolarHBondContact OD1-CA 3.38Å; D517-E554 WeakPolarHBondContact OD1-CB 3.21Å
518	V	94.6	Very high	92.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.7	177.8	-178.9	0	0	0	0	109.4	P495 I496 F497 G516 L520 A552 L553 V555 L591 L595	P495-V518 HydrophobicContact CB-CG1 3.64Å; P495-V518 HydrophobicContact CG-CG1 3.82Å; I496-V518 CarbonylContact O-C 3.58Å; I496-V518 WeakPolarHBondContact O-CA 3.39Å; I496-V518 WeakPolarHBondContact O-CG1 3.45Å; F497-V518 HydrophobicContact CB-CG2 4.25Å; G516-V518 PolarHBondContact O-N 3.25Å; V518-L520 HydrophobicContact CG1-CD2 4.42Å; V518-A552 CarbonylContact O-C 3.59Å; V518-A552 WeakPolarHBondContact O-CA 3.37Å; V518-L553 HydrophobicContact CB-CB 4.23Å; V518-L553 PolarHBondContact N-O 2.94Å; V518-L553 PolarHBondContact O-N 2.84Å; V518-V555 HydrophobicContact CG2-CG2 4.24Å; V518-L591 HydrophobicContact CG2-CD2 4.2Å; V518-L595 HydrophobicContact CG1-CD1 4.2Å
519	L	95.3	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.1	-178.6	-56.3	-176.3	0	0	0	110.8	M481 V483 I496 V498 I513 L527 L539 A552	M481-L519 HydrophobicContact CE-CD1 3.73Å; M481-L519 HydrophobicContact CE-CD2 4.38Å; M481-L519 HydrophobicContact SD-CD1 3.88Å; V483-L519 HydrophobicContact CG1-CD1 3.73Å; I496-L519 HydrophobicContact CB-CB 4.47Å; I496-L519 HydrophobicContact CG2-CB 4.17Å; I496-L519 HydrophobicContact CG2-CD1 4.12Å; I496-L519 HydrophobicContact CG2-CG 4.43Å; I496-L519 PolarHBondContact O-N 3.03Å; V498-L519 HydrophobicContact CG2-CD1 4.33Å; V498-L519 HydrophobicContact CG2-CD2 3.88Å; V498-L519 HydrophobicContact CG2-CG 4.06Å; I513-L519 HydrophobicContact CD1-CD2 4.45Å; L519-L527 HydrophobicContact CB-CD1 3.84Å; L519-L539 HydrophobicContact CD1-CD1 4.27Å; L519-L539 HydrophobicContact CD1-CD2 4.11Å; L519-A552 HydrophobicContact CD2-CB 4.06Å
520	L	95	Very high	92.6	Very high	28 Å²	28	41.4 Å²	41.4	15%	0.147	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-40.1	-179.6	-54.4	179.7	0	0	0	111.7	E466 V518 L527 T528 K551 L553 L595	E466-L520 HydrophobicContact CG-CD1 4.23Å; V518-L520 HydrophobicContact CG1-CD2 4.42Å; L520-L527 PolarHBondContact O-N 3.02Å; L520-T528 HydrophobicContact CD2-CG2 4.1Å; L520-K551 HydrophobicContact CB-CB 4.25Å; L520-K551 PolarHBondContact N-O 2.97Å; L520-L553 HydrophobicContact CD1-CB 4.3Å; L520-L553 HydrophobicContact CG-CB 4.46Å; L520-L595 HydrophobicContact CD2-CD1 4.13Å; L520-L595 HydrophobicContact CD2-CD2 3.87Å
521	N	96.1	Very high	92.6	Very high	30 Å²	30	40.4 Å²	40.4	16%	0.16	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	148.1	-172.5	-167.7	-87.7	0	0	0	111.9	G524 I525 D526 L550 K551	N521-G524 PolarHBondContact ND2-O 3.09Å; N521-G524 WeakPolarHBondContact OD1-CA 3.5Å; N521-G524 PolarHBondContact OD1-N 3.24Å; N521-I525 CarbonylContact C-O 3.36Å; N521-I525 VanDerWaalsContact CA-O 3.22Å; N521-I525 WeakPolarHBondContact CA-O 3.37Å; N521-I525 VanDerWaalsContact CG-O 3.23Å; N521-I525 PolarHBondContact ND2-O 2.72Å; N521-I525 VanDerWaalsContact ND2-O 3.11Å; N521-D526 PolarHBondContact ND2-N 3.26Å; N521-L550 WeakPolarHBondContact O-CA 3.34Å; N521-K551 HydrophobicContact CB-CB 3.82Å; N521-K551 HydrophobicContact CB-CD 4.07Å; N521-K551 HydrophobicContact CB-CG 4Å; N521-K551 PolarHBondContact N-O 3.18Å; N521-K551 VanDerWaalsContact N-O 3.12Å; N521-K551 PolarHBondContact O-N 2.69Å
522	I	95.6	Very high	92.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	126.6	166.4	-171.1	168.5	0	0	0	111.1	L479 G524 I525 L527 L539 V548 A549 L550	L479-I522 HydrophobicContact CD1-CD1 4.16Å; I522-G524 PolarHBondContact O-N 3.14Å; I522-I525 HydrophobicContact CG2-CB 4.42Å; I522-I525 PolarHBondContact N-O 2.94Å; I522-I525 WeakPolarHBondContact O-CA 3.24Å; I522-I525 VanDerWaalsContact O-CB 3.28Å; I522-I525 WeakPolarHBondContact O-CB 3.41Å; I522-I525 PolarHBondContact O-N 3.41Å; I522-L527 HydrophobicContact CB-CD1 4.22Å; I522-L527 HydrophobicContact CG2-CD1 4.01Å; I522-L527 HydrophobicContact CG2-CD2 3.89Å; I522-L527 HydrophobicContact CG2-CG 4.16Å; I522-L539 HydrophobicContact CB-CD2 4.42Å; I522-L539 HydrophobicContact CD1-CD2 3.62Å; I522-L539 HydrophobicContact CG2-CD2 4.35Å; I522-V548 HydrophobicContact CD1-CG1 3.6Å; I522-V548 HydrophobicContact CG1-CG1 3.68Å; I522-A549 CarbonylContact C-O 3.55Å; I522-A549 WeakPolarHBondContact CA-O 3.42Å; I522-L550 HydrophobicContact CB-CD2 3.94Å; I522-L550 HydrophobicContact CD1-CD2 3.79Å; I522-L550 HydrophobicContact CG1-CD2 3.76Å
523	N	93.4	Very high	92.7	Very high	62 Å²	62	41.1 Å²	41.1	33%	0.332	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	30.9	178.9	-68.9	-18.4	0	0	0	114.6	S542 V548 A549	N523-S542 VanDerWaalsContact ND2-CB 3.34Å; N523-S542 WeakPolarHBondContact ND2-CB 3.35Å; N523-S542 PolarHBondContact ND2-OG 2.89Å; N523-V548 WeakPolarHBondContact OD1-CA 3.22Å; N523-A549 PolarHBondContact N-O 3.35Å; N523-A549 PolarHBondContact OD1-N 2.87Å
524	G	90.6	Very high	92.7	Very high	62 Å²	62	45.8 Å²	45.8	64%	0.639	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	-16.7	-175.7	0	0	0	0	0	114.4	N521 I522	N521-G524 PolarHBondContact ND2-O 3.09Å; N521-G524 WeakPolarHBondContact OD1-CA 3.5Å; N521-G524 PolarHBondContact OD1-N 3.24Å; I522-G524 PolarHBondContact O-N 3.14Å
525	I	94.1	Very high	92.8	Very high	57 Å²	57	41 Å²	41	29%	0.292	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.2	177.1	-59.1	138.2	0	0	0	109.9	N521 I522 M538	N521-I525 CarbonylContact C-O 3.36Å; N521-I525 VanDerWaalsContact CA-O 3.22Å; N521-I525 WeakPolarHBondContact CA-O 3.37Å; N521-I525 VanDerWaalsContact CG-O 3.23Å; N521-I525 PolarHBondContact ND2-O 2.72Å; N521-I525 VanDerWaalsContact ND2-O 3.11Å; I522-I525 HydrophobicContact CG2-CB 4.42Å; I522-I525 PolarHBondContact N-O 2.94Å; I522-I525 WeakPolarHBondContact O-CA 3.24Å; I522-I525 VanDerWaalsContact O-CB 3.28Å; I522-I525 WeakPolarHBondContact O-CB 3.41Å; I522-I525 PolarHBondContact O-N 3.41Å; I525-M538 HydrophobicContact CD1-CE 3.48Å; I525-M538 VanDerWaalsContact CD1-CE 3.48Å; I525-M538 HydrophobicContact CG1-CE 3.98Å; I525-M538 HydrophobicContact CG2-CB 4.38Å; I525-M538 HydrophobicContact CG2-CE 4.08Å; I525-M538 HydrophobicContact CG2-CG 4.14Å
526	D	93.9	Very high	92.9	Very high	79 Å²	79	40.3 Å²	40.3	42%	0.422	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133.9	171.3	178.7	18.2	0	0	0	111	N521 T528	N521-D526 PolarHBondContact ND2-N 3.26Å; D526-T528 VanDerWaalsContact CG-OG1 3.24Å; D526-T528 WeakPolarHBondContact OD1-CB 3.28Å; D526-T528 WeakPolarHBondContact OD1-CG2 3.22Å; D526-T528 PolarHBondContact OD1-N 3.25Å; D526-T528 PolarHBondContact OD1-OG1 2.75Å; D526-T528 PolarHBondContact OD2-OG1 2.84Å; D526-T528 VanDerWaalsContact OD2-OG1 3.05Å
527	L	93.7	Very high	93.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.253	C	S	.	.			trans	-106.4	-12.6	-179.8	-63.5	177	0	0	0	112.8	L519 L520 I522 N529 L530 A535 M538 L539	L519-L527 HydrophobicContact CB-CD1 3.84Å; L520-L527 PolarHBondContact O-N 3.02Å; I522-L527 HydrophobicContact CB-CD1 4.22Å; I522-L527 HydrophobicContact CG2-CD1 4.01Å; I522-L527 HydrophobicContact CG2-CD2 3.89Å; I522-L527 HydrophobicContact CG2-CG 4.16Å; L527-N529 VanDerWaalsContact C-N 3.33Å; L527-N529 PolarHBondContact O-N 3.14Å; L527-L530 HydrophobicContact CD2-CD1 3.82Å; L527-L530 PolarHBondContact O-N 2.69Å; L527-A535 HydrophobicContact CD2-CB 4.41Å; L527-M538 HydrophobicContact CD2-CB 4.29Å; L527-L539 HydrophobicContact CD1-CD2 4.12Å
528	T	89.4	Confident	93.1	Very high	37 Å²	37	45.4 Å²	45.4	23%	0.227	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-33.9	-167.3	57.3	0	0	0	0	114.1	L520 D526 L595	L520-T528 HydrophobicContact CD2-CG2 4.1Å; D526-T528 VanDerWaalsContact CG-OG1 3.24Å; D526-T528 WeakPolarHBondContact OD1-CB 3.28Å; D526-T528 WeakPolarHBondContact OD1-CG2 3.22Å; D526-T528 PolarHBondContact OD1-N 3.25Å; D526-T528 PolarHBondContact OD1-OG1 2.75Å; D526-T528 PolarHBondContact OD2-OG1 2.84Å; D526-T528 VanDerWaalsContact OD2-OG1 3.05Å; T528-L595 HydrophobicContact CG2-CD2 3.71Å
529	N	85.9	Confident	93.1	Very high	120 Å²	120	46.1 Å²	46.1	64%	0.642	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	6.1	-175.1	-74.7	-76.6	0	0	0	114.5	L527	L527-N529 VanDerWaalsContact C-N 3.33Å; L527-N529 PolarHBondContact O-N 3.14Å
530	L	91.4	Very high	92.9	Very high	39 Å²	39	53.2 Å²	53.2	20%	0.204	30%	0.302	C	S	.	.			trans	-82	150.5	-177.5	-61.9	-173.8	0	0	0	112.2	G486 R487 L527 E534 A535 M538	G486-L530 WeakPolarHBondContact CA-O 3.28Å; R487-L530 PolarHBondContact N-O 2.95Å; L527-L530 HydrophobicContact CD2-CD1 3.82Å; L527-L530 PolarHBondContact O-N 2.69Å; L530-E534 HydrophobicContact CB-CB 4.09Å; L530-E534 HydrophobicContact CD1-CB 4.42Å; L530-E534 HydrophobicContact CD2-CB 4.39Å; L530-A535 HydrophobicContact CB-CB 4.2Å; L530-A535 HydrophobicContact CD1-CB 4.44Å; L530-M538 HydrophobicContact CD1-CG 4Å
531	S	92.3	Very high	92.7	Very high	26 Å²	26	54.8 Å²	54.8	18%	0.182	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-66.1	160.5	163.3	69.1	0	0	0	0	111	S533 E534 A535	S531-S533 VanDerWaalsContact C-N 3.27Å; S531-S533 PolarHBondContact O-N 3.41Å; S531-S533 PolarHBondContact OG-OG 3.19Å; S531-E534 WeakPolarHBondContact CB-OE2 3.47Å; S531-E534 PolarHBondContact N-OE2 2.96Å; S531-E534 PolarHBondContact O-N 3.05Å; S531-E534 VanDerWaalsContact O-N 3.16Å; S531-E534 VanDerWaalsContact OG-CG 3.28Å; S531-E534 WeakPolarHBondContact OG-CG 3.47Å; S531-E534 PolarHBondContact OG-N 2.76Å; S531-E534 PolarHBondContact OG-OE2 2.89Å; S531-A535 PolarHBondContact O-N 2.91Å
532	H	91.8	Very high	92.3	Very high	79 Å²	79	53.7 Å²	53.7	37%	0.366	31%	0.314	S	S	.	.	H	α-helix	trans	-51	-46.5	176.4	-175.7	76.4	0	0	0	112.8	V483 G485 V536	V483-H532 PolarHBondContact O-CE1 2.93Å; G485-H532 WeakPolarHBondContact O-CB 3.49Å; G485-H532 PolarHBondContact O-ND1 3.27Å; H532-V536 WeakPolarHBondContact O-CB 3.44Å; H532-V536 VanDerWaalsContact O-CG2 3.28Å; H532-V536 WeakPolarHBondContact O-CG2 3.4Å; H532-V536 PolarHBondContact O-N 3.45Å
533	S	93.2	Very high	91.9	Very high	85 Å²	85	54.6 Å²	54.6	59%	0.594	32%	0.321	S	S	*	.	H	α-helix	trans	-65.1	-40.6	179.8	33.2	0	0	0	0	113.3	S531 A537	S531-S533 VanDerWaalsContact C-N 3.27Å; S531-S533 PolarHBondContact O-N 3.41Å; S531-S533 PolarHBondContact OG-OG 3.19Å; S533-A537 WeakPolarHBondContact O-CB 3.38Å; S533-A537 PolarHBondContact O-N 3.36Å
534	E	94.5	Very high	91.5	Very high	102 Å²	102	55 Å²	55	48%	0.477	33%	0.334	S	S	.	.	H	α-helix	trans	-68.5	-47.2	178.1	-71	161.2	139.1	0	0	110.6	L530 S531 V536 A537 M538	L530-E534 HydrophobicContact CB-CB 4.09Å; L530-E534 HydrophobicContact CD1-CB 4.42Å; L530-E534 HydrophobicContact CD2-CB 4.39Å; S531-E534 WeakPolarHBondContact CB-OE2 3.47Å; S531-E534 PolarHBondContact N-OE2 2.96Å; S531-E534 PolarHBondContact O-N 3.05Å; S531-E534 VanDerWaalsContact O-N 3.16Å; S531-E534 VanDerWaalsContact OG-CG 3.28Å; S531-E534 WeakPolarHBondContact OG-CG 3.47Å; S531-E534 PolarHBondContact OG-N 2.76Å; S531-E534 PolarHBondContact OG-OE2 2.89Å; E534-V536 PolarHBondContact O-N 2.81Å; E534-A537 WeakPolarHBondContact O-CB 3.35Å; E534-A537 PolarHBondContact O-N 2.97Å; E534-A537 VanDerWaalsContact O-N 3.08Å; E534-M538 WeakPolarHBondContact O-CG 3.35Å; E534-M538 PolarHBondContact O-N 3.13Å
535	A	93.8	Very high	91.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-46.9	176.1	0	0	0	0	0	111.6	I496 L527 L530 S531 A537 M538 L539	I496-A535 HydrophobicContact CD1-CB 3.35Å; I496-A535 HydrophobicContact CG1-CB 3.61Å; I496-A535 HydrophobicContact CG2-CB 4.5Å; L527-A535 HydrophobicContact CD2-CB 4.41Å; L530-A535 HydrophobicContact CB-CB 4.2Å; L530-A535 HydrophobicContact CD1-CB 4.44Å; S531-A535 PolarHBondContact O-N 2.91Å; A535-A537 VanDerWaalsContact C-N 3.3Å; A535-A537 PolarHBondContact O-N 3.38Å; A535-M538 PolarHBondContact O-N 3.11Å; A535-L539 WeakPolarHBondContact O-CB 3.43Å; A535-L539 WeakPolarHBondContact O-CG 3.29Å; A535-L539 PolarHBondContact O-N 2.82Å
536	V	93.3	Very high	91.1	Very high	31 Å²	31	55.7 Å²	55.7	19%	0.188	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-36.5	175.5	169.2	0	0	0	0	112	V483 H532 E534 K540	V483-V536 HydrophobicContact CG2-CG2 3.92Å; H532-V536 WeakPolarHBondContact O-CB 3.44Å; H532-V536 VanDerWaalsContact O-CG2 3.28Å; H532-V536 WeakPolarHBondContact O-CG2 3.4Å; H532-V536 PolarHBondContact O-N 3.45Å; E534-V536 PolarHBondContact O-N 2.81Å; V536-K540 HydrophobicContact CG1-CD 4.02Å; V536-K540 WeakPolarHBondContact O-CB 3.47Å; V536-K540 VanDerWaalsContact O-CG 3.27Å; V536-K540 WeakPolarHBondContact O-CG 3.42Å; V536-K540 PolarHBondContact O-N 2.91Å
537	A	93.4	Very high	90.9	Very high	52 Å²	52	54.1 Å²	54.1	43%	0.43	33%	0.33	S	S	.	.	H	α-helix	trans	-66.2	-45.2	174.3	0	0	0	0	0	111.9	S533 E534 A535 K540 A541	S533-A537 WeakPolarHBondContact O-CB 3.38Å; S533-A537 PolarHBondContact O-N 3.36Å; E534-A537 WeakPolarHBondContact O-CB 3.35Å; E534-A537 PolarHBondContact O-N 2.97Å; E534-A537 VanDerWaalsContact O-N 3.08Å; A535-A537 VanDerWaalsContact C-N 3.3Å; A535-A537 PolarHBondContact O-N 3.38Å; A537-K540 PolarHBondContact O-N 2.92Å; A537-A541 WeakPolarHBondContact O-CB 3.43Å; A537-A541 PolarHBondContact O-N 3.38Å
538	M	94.8	Very high	90.9	Very high	64 Å²	64	54.2 Å²	54.2	32%	0.315	33%	0.33	S	S	.	.	H	α-helix	trans	-66.7	-37	177.9	-60.1	-43.3	-64	0	0	112.5	I525 L527 L530 E534 A535 S542	I525-M538 HydrophobicContact CD1-CE 3.48Å; I525-M538 VanDerWaalsContact CD1-CE 3.48Å; I525-M538 HydrophobicContact CG1-CE 3.98Å; I525-M538 HydrophobicContact CG2-CB 4.38Å; I525-M538 HydrophobicContact CG2-CE 4.08Å; I525-M538 HydrophobicContact CG2-CG 4.14Å; L527-M538 HydrophobicContact CD2-CB 4.29Å; L530-M538 HydrophobicContact CD1-CG 4Å; E534-M538 WeakPolarHBondContact O-CG 3.35Å; E534-M538 PolarHBondContact O-N 3.13Å; A535-M538 PolarHBondContact O-N 3.11Å; M538-S542 WeakPolarHBondContact O-CB 3.41Å; M538-S542 PolarHBondContact O-N 2.79Å; M538-S542 PolarHBondContact O-OG 2.76Å
539	L	92.9	Very high	91.2	Very high	15 Å²	15	54.3 Å²	54.3	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-46.4	172.5	-70.8	172.2	0	0	0	111.4	M481 V483 L519 I522 L527 A535 A543	M481-L539 HydrophobicContact CE-CD2 4.27Å; V483-L539 HydrophobicContact CG1-CD1 4.02Å; V483-L539 HydrophobicContact CG2-CD1 3.82Å; L519-L539 HydrophobicContact CD1-CD1 4.27Å; L519-L539 HydrophobicContact CD1-CD2 4.11Å; I522-L539 HydrophobicContact CB-CD2 4.42Å; I522-L539 HydrophobicContact CD1-CD2 3.62Å; I522-L539 HydrophobicContact CG2-CD2 4.35Å; L527-L539 HydrophobicContact CD1-CD2 4.12Å; A535-L539 WeakPolarHBondContact O-CB 3.43Å; A535-L539 WeakPolarHBondContact O-CG 3.29Å; A535-L539 PolarHBondContact O-N 2.82Å; L539-A543 VanDerWaalsContact O-CB 3.31Å; L539-A543 WeakPolarHBondContact O-CB 3.33Å; L539-A543 PolarHBondContact O-N 3.37Å
540	K	91.4	Very high	91.6	Very high	150 Å²	150	48.8 Å²	48.8	65%	0.652	31%	0.305	S	S	*	.	H	α-helix	trans	-66.5	-42.9	177.5	-75.6	173	179	176.5	0	112.8	V536 A537 A543	V536-K540 HydrophobicContact CG1-CD 4.02Å; V536-K540 WeakPolarHBondContact O-CB 3.47Å; V536-K540 VanDerWaalsContact O-CG 3.27Å; V536-K540 WeakPolarHBondContact O-CG 3.42Å; V536-K540 PolarHBondContact O-N 2.91Å; A537-K540 PolarHBondContact O-N 2.92Å; K540-A543 PolarHBondContact O-N 3.16Å
541	A	90.5	Very high	91.8	Very high	60 Å²	60	50.7 Å²	50.7	50%	0.496	31%	0.312	S	S	.	.	H	α-helix	trans	-64.2	-44	177.2	0	0	0	0	0	111.5	A537 A543 A544	A537-A541 WeakPolarHBondContact O-CB 3.43Å; A537-A541 PolarHBondContact O-N 3.38Å; A541-A543 VanDerWaalsContact C-N 3.26Å; A541-A543 PolarHBondContact O-N 2.85Å; A541-A544 VanDerWaalsContact O-CB 3.28Å; A541-A544 WeakPolarHBondContact O-CB 2.88Å; A541-A544 PolarHBondContact O-N 3Å
542	S	88.9	Confident	92	Very high	8 Å²	8	49.5 Å²	49.5	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-32.4	174.3	-66.2	0	0	0	0	112.7	N523 M538 A544 S545 V548	N523-S542 VanDerWaalsContact ND2-CB 3.34Å; N523-S542 WeakPolarHBondContact ND2-CB 3.35Å; N523-S542 PolarHBondContact ND2-OG 2.89Å; M538-S542 WeakPolarHBondContact O-CB 3.41Å; M538-S542 PolarHBondContact O-N 2.79Å; M538-S542 PolarHBondContact O-OG 2.76Å; S542-A544 PolarHBondContact O-N 2.85Å; S542-S545 WeakPolarHBondContact O-CB 3.48Å; S542-S545 PolarHBondContact O-N 3.03Å; S542-S545 VanDerWaalsContact O-N 3.11Å; S542-V548 WeakPolarHBondContact O-CG2 3.47Å
543	A	86.5	Confident	92.1	Very high	19 Å²	19	46.3 Å²	46.3	16%	0.157	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	6.4	172.3	0	0	0	0	0	114.4	K473 L479 L539 K540 A541	K473-A543 VanDerWaalsContact CE-C 3.5Å; K473-A543 WeakPolarHBondContact CE-O 3.28Å; K473-A543 PolarHBondContact NZ-O 2.75Å; L479-A543 HydrophobicContact CD1-CB 4.14Å; L479-A543 HydrophobicContact CG-CB 4.03Å; L539-A543 VanDerWaalsContact O-CB 3.31Å; L539-A543 WeakPolarHBondContact O-CB 3.33Å; L539-A543 PolarHBondContact O-N 3.37Å; K540-A543 PolarHBondContact O-N 3.16Å; A541-A543 VanDerWaalsContact C-N 3.26Å; A541-A543 PolarHBondContact O-N 2.85Å
544	A	86.3	Confident	92	Very high	71 Å²	71	43.3 Å²	43.3	59%	0.587	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-24.9	162.2	0	0	0	0	0	112.4	A541 S542	A541-A544 VanDerWaalsContact O-CB 3.28Å; A541-A544 WeakPolarHBondContact O-CB 2.88Å; A541-A544 PolarHBondContact O-N 3Å; S542-A544 PolarHBondContact O-N 2.85Å
545	S	87.4	Confident	91.7	Very high	50 Å²	50	39.2 Å²	39.2	35%	0.35	25%	0.247	S	C	.	.	S	Bend	trans	-77.6	143.7	-177	-65.4	0	0	0	0	112.5	K473 S542 A547	K473-S545 WeakPolarHBondContact CE-O 3.26Å; S542-S545 WeakPolarHBondContact O-CB 3.48Å; S542-S545 PolarHBondContact O-N 3.03Å; S542-S545 VanDerWaalsContact O-N 3.11Å; S545-A547 VanDerWaalsContact CB-O 3.29Å; S545-A547 WeakPolarHBondContact CB-O 3.45Å; S545-A547 PolarHBondContact O-N 2.85Å
546	P	87.5	Confident	91.2	Very high	83 Å²	83	43.6 Å²	43.6	54%	0.539	27%	0.268	S	S	.	.	S	Bend	trans	-72.2	-11.6	177.4	30.8	-36.5	0	0	0	113.6	K472 K473	K472-P546 WeakPolarHBondContact CA-O 3.42Å; K473-P546 PolarHBondContact N-O 3.21Å; K473-P546 WeakPolarHBondContact O-CA 3.39Å
547	A	90.8	Very high	90.6	Very high	46 Å²	46	44.6 Å²	44.6	38%	0.38	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.8	169.2	0	0	0	0	0	109.1	V471 S545	V471-A547 WeakPolarHBondContact O-CA 3.34Å; S545-A547 VanDerWaalsContact CB-O 3.29Å; S545-A547 WeakPolarHBondContact CB-O 3.45Å; S545-A547 PolarHBondContact O-N 2.85Å
548	V	93.2	Very high	89.7	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.6	178.6	-178.9	0	0	0	0	108.8	T470 V471 K473 L479 I522 N523 S542 L550	T470-V548 WeakPolarHBondContact CA-O 3.47Å; V471-V548 PolarHBondContact N-O 2.89Å; V471-V548 PolarHBondContact O-N 3.46Å; K473-V548 HydrophobicContact CD-CG2 4.46Å; L479-V548 HydrophobicContact CD2-CB 4.09Å; L479-V548 HydrophobicContact CD2-CG1 4.12Å; L479-V548 HydrophobicContact CD2-CG2 4.02Å; I522-V548 HydrophobicContact CD1-CG1 3.6Å; I522-V548 HydrophobicContact CG1-CG1 3.68Å; N523-V548 WeakPolarHBondContact OD1-CA 3.22Å; S542-V548 WeakPolarHBondContact O-CG2 3.47Å; V548-L550 HydrophobicContact CG1-CG 4.31Å
549	A	94.8	Very high	88.1	Confident	40 Å²	40	48.9 Å²	48.9	33%	0.331	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.7	170.7	0	0	0	0	0	109.5	I469 I522 N523	I469-A549 CarbonylContact O-C 3.57Å; I469-A549 WeakPolarHBondContact O-CA 3.29Å; I522-A549 CarbonylContact C-O 3.55Å; I522-A549 WeakPolarHBondContact CA-O 3.42Å; N523-A549 PolarHBondContact N-O 3.35Å; N523-A549 PolarHBondContact OD1-N 2.87Å
550	L	95.8	Very high	86.1	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.3	176.2	-69.5	168.1	0	0	0	109	I469 M481 L507 I513 N521 I522 V548	I469-L550 HydrophobicContact CB-CB 4.36Å; I469-L550 PolarHBondContact N-O 2.91Å; I469-L550 PolarHBondContact O-N 2.93Å; M481-L550 HydrophobicContact CE-CD1 4.13Å; M481-L550 HydrophobicContact CE-CD2 4.33Å; L507-L550 HydrophobicContact CD1-CD1 4.41Å; L507-L550 HydrophobicContact CD2-CD1 3.89Å; I513-L550 HydrophobicContact CD1-CD1 4.47Å; I513-L550 HydrophobicContact CG1-CD1 4.19Å; N521-L550 WeakPolarHBondContact O-CA 3.34Å; I522-L550 HydrophobicContact CB-CD2 3.94Å; I522-L550 HydrophobicContact CD1-CD2 3.79Å; I522-L550 HydrophobicContact CG1-CD2 3.76Å; V548-L550 HydrophobicContact CG1-CG 4.31Å
551	K	95.8	Very high	83.6	Confident	79 Å²	79	51.6 Å²	51.6	34%	0.343	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.4	154.9	-58	-175.8	175.9	-166.8	0	108.6	K467 H468 L520 N521	K467-K551 WeakPolarHBondContact O-CA 3.44Å; H468-K551 WeakPolarHBondContact CE1-CE 3.08Å; L520-K551 HydrophobicContact CB-CB 4.25Å; L520-K551 PolarHBondContact N-O 2.97Å; N521-K551 HydrophobicContact CB-CB 3.82Å; N521-K551 HydrophobicContact CB-CD 4.07Å; N521-K551 HydrophobicContact CB-CG 4Å; N521-K551 PolarHBondContact N-O 3.18Å; N521-K551 VanDerWaalsContact N-O 3.12Å; N521-K551 PolarHBondContact O-N 2.69Å
552	A	95.5	Very high	81.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	160.7	177.3	0	0	0	0	0	110.5	E466 K467 I513 D517 V518 L519	E466-A552 CarbonylContact C-O 3.58Å; E466-A552 WeakPolarHBondContact CA-O 3.49Å; K467-A552 HydrophobicContact CB-CB 4.48Å; K467-A552 PolarHBondContact N-O 3.24Å; K467-A552 PolarHBondContact O-N 3.13Å; I513-A552 HydrophobicContact CD1-CB 3.68Å; D517-A552 HydrophobicContact CB-CB 4.39Å; V518-A552 CarbonylContact O-C 3.59Å; V518-A552 WeakPolarHBondContact O-CA 3.37Å; L519-A552 HydrophobicContact CD2-CB 4.06Å
553	L	93.9	Very high	78.7	Confident	13 Å²	13	63.3 Å²	63.3	7%	0.068	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.6	172.6	-165	73.1	0	0	0	108	C464 E466 D517 V518 L520 V555 L591 P592 L595	C464-L553 HydrophobicContact CB-CD1 4.08Å; C464-L553 HydrophobicContact CB-CD2 4.11Å; C464-L553 HydrophobicContact CB-CG 4.15Å; E466-L553 HydrophobicContact CB-CD1 4.36Å; D517-L553 WeakPolarHBondContact CA-O 3.43Å; V518-L553 HydrophobicContact CB-CB 4.23Å; V518-L553 PolarHBondContact N-O 2.94Å; V518-L553 PolarHBondContact O-N 2.84Å; L520-L553 HydrophobicContact CD1-CB 4.3Å; L520-L553 HydrophobicContact CG-CB 4.46Å; L553-V555 HydrophobicContact CD2-CG2 4.21Å; L553-V555 HydrophobicContact CG-CG2 4.27Å; L553-L591 HydrophobicContact CD2-CD2 4.27Å; L553-P592 HydrophobicContact CD2-CG 3.85Å; L553-L595 HydrophobicContact CD2-CD1 4.02Å
554	E	92.1	Very high	76.1	Confident	21 Å²	21	69.2 Å²	69.2	10%	0.098	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.8	167	-179.4	162.1	-155.9	0	0	108.8	C464 Q465 K467 K514 D517 Q556	C464-E554 CarbonylContact C-O 3.48Å; C464-E554 WeakPolarHBondContact CA-O 3.48Å; Q465-E554 PolarHBondContact N-O 2.95Å; Q465-E554 PolarHBondContact O-N 3.13Å; K467-E554 HydrophobicContact CD-CB 4.02Å; K467-E554 VanDerWaalsContact CE-CB 3.5Å; K467-E554 WeakPolarHBondContact CE-OE2 3.5Å; K467-E554 IonicContact NZ-OE1 2.77Å; K467-E554 IonicContact NZ-OE2 3.5Å; K467-E554 PolarHBondContact NZ-OE2 3.22Å; K514-E554 IonicContact NZ-OE1 2.66Å; K514-E554 PolarHBondContact NZ-OE1 3.16Å; D517-E554 VanDerWaalsContact OD1-CA 3.26Å; D517-E554 WeakPolarHBondContact OD1-CA 3.38Å; D517-E554 WeakPolarHBondContact OD1-CB 3.21Å; E554-Q556 HydrophobicContact CG-CG 4.01Å; E554-Q556 PolarHBondContact OE1-NE2 3.01Å
555	V	87.5	Confident	73.7	Confident	16 Å²	16	71.5 Å²	71.5	10%	0.097	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	105.2	-176.4	-172.2	0	0	0	0	107	V462 T463 V518 L553 M587 L591	V462-V555 HydrophobicContact CG1-CG1 3.29Å; T463-V555 WeakPolarHBondContact O-CA 3.32Å; V518-V555 HydrophobicContact CG2-CG2 4.24Å; L553-V555 HydrophobicContact CD2-CG2 4.21Å; L553-V555 HydrophobicContact CG-CG2 4.27Å; V555-M587 HydrophobicContact CB-CE 4.12Å; V555-M587 HydrophobicContact CB-CG 4.24Å; V555-M587 HydrophobicContact CG1-CG 3.67Å; V555-L591 HydrophobicContact CG1-CD2 4.42Å; V555-L591 HydrophobicContact CG2-CD2 3.74Å
556	Q	83.2	Confident	71.6	Confident	92 Å²	92	77.5 Å²	77.5	43%	0.43	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.2	-178.5	-72	175.4	9.2	0	0	109.9	V462 T463 E554	V462-Q556 CarbonylContact C-O 3.53Å; V462-Q556 VanDerWaalsContact CA-O 3.29Å; V462-Q556 WeakPolarHBondContact CA-O 3.36Å; T463-Q556 PolarHBondContact N-O 2.91Å; T463-Q556 PolarHBondContact O-N 3.24Å; E554-Q556 HydrophobicContact CG-CG 4.01Å; E554-Q556 PolarHBondContact OE1-NE2 3.01Å
557	I	80.3	Confident	69.2	Low	53 Å²	53	81.7 Å²	81.7	27%	0.272	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.8	173.4	-56.3	172.9	0	0	0	107.9	N297 E559 S584 M587	N297-I557 WeakPolarHBondContact ND2-CD1 3.45Å; I557-E559 HydrophobicContact CG2-CG 4.19Å; I557-E559 PolarHBondContact O-N 2.86Å; I557-E559 VanDerWaalsContact O-N 3.08Å; I557-S584 WeakPolarHBondContact CD1-OG 3.42Å; I557-M587 HydrophobicContact CD1-CB 4.35Å
558	V	74.3	Confident	66.7	Low	67 Å²	67	86.2 Å²	86.2	41%	0.406	45%	0.448	S	S	.	.			trans	-82.5	86.4	178.3	-175.3	0	0	0	0	108.7	Q460 C461 T463 E560	Q460-V558 WeakPolarHBondContact O-CB 3.38Å; Q460-V558 WeakPolarHBondContact O-CG2 3.34Å; C461-V558 PolarHBondContact O-N 3.4Å; T463-V558 HydrophobicContact CG2-CG2 3.81Å; V558-E560 PolarHBondContact O-N 2.87Å
559	E	62.2	Low	64	Low	138 Å²	138	87.8 Å²	87.8	65%	0.645	46%	0.458	S	S	*	.			trans	-78.4	106	171.6	-62.1	-165.9	158.8	0	0	109.5	N297 I557 A561	N297-E559 PolarHBondContact ND2-OE1 3.2Å; I557-E559 HydrophobicContact CG2-CG 4.19Å; I557-E559 PolarHBondContact O-N 2.86Å; I557-E559 VanDerWaalsContact O-N 3.08Å; E559-A561 PolarHBondContact O-N 3Å
560	E	49.9	Very low	61	Low	128 Å²	128	90 Å²	90	60%	0.598	47%	0.471	S	S	*	.			trans	-64.3	117.5	168.4	-97.6	175.7	-146.6	0	0	109.5	K456 V558 I562	K456-E560 IonicContact NZ-OE1 3.47Å; K456-E560 PolarHBondContact NZ-OE1 2.78Å; K456-E560 IonicContact NZ-OE2 2.76Å; K456-E560 PolarHBondContact NZ-OE2 3.04Å; V558-E560 PolarHBondContact O-N 2.87Å; E560-I562 VanDerWaalsContact C-N 3.28Å; E560-I562 PolarHBondContact O-N 3.16Å
561	A	39.2	Very low	58.1	Low	94 Å²	94	96 Å²	96	78%	0.777	51%	0.508	S	S	*	.			trans	-66.6	86.1	175	0	0	0	0	0	110.5	E559 Q563	E559-A561 PolarHBondContact O-N 3Å; A561-Q563 VanDerWaalsContact C-N 3.27Å; A561-Q563 PolarHBondContact O-N 2.71Å
562	I	39.5	Very low	55.4	Low	135 Å²	135	97.7 Å²	97.7	69%	0.692	52%	0.516	S	S	*	.			trans	-66.7	93.1	165.9	-58.9	176.2	0	0	0	107.1	E560 N564	E560-I562 VanDerWaalsContact C-N 3.28Å; E560-I562 PolarHBondContact O-N 3.16Å; I562-N564 PolarHBondContact O-N 2.79Å
563	Q	37.8	Very low	52.7	Low	180 Å²	180	102.7 Å²	102.7	84%	0.841	55%	0.55	S	S	*	*			trans	-65.6	95.2	167.7	-72	179	-21.5	0	0	109	A561	A561-Q563 VanDerWaalsContact C-N 3.27Å; A561-Q563 PolarHBondContact O-N 2.71Å
564	N	31.9	Very low	50.3	Low	142 Å²	142	107.5 Å²	107.5	76%	0.759	57%	0.572	S	S	*	*			trans	-151.3	139.1	152.1	-90.9	-43.6	0	0	0	109.9	I562	I562-N564 PolarHBondContact O-N 2.79Å
565	T	36.3	Very low	48	Very low	120 Å²	120	112.2 Å²	112.2	74%	0.736	60%	0.598	S	S	*	*			trans	-87.9	153.6	-161.7	-58	0	0	0	0	113.3
566	E	42.6	Very low	46.1	Very low	175 Å²	175	117.5 Å²	117.5	82%	0.818	62%	0.622	S	S	*	*	S	Bend	trans	74.4	136.2	168.4	-81.2	150.9	-141.9	0	0	118.1
567	E	37.5	Very low	44.5	Very low	171 Å²	171	119.4 Å²	119.4	80%	0.799	63%	0.626	S	S	*	*			trans	62.5	27.1	-174.7	-58.5	-162.8	175	0	0	118.5	P569	E567-P569 WeakPolarHBondContact O-CD 3.32Å
568	Q	38.6	Very low	43.5	Very low	142 Å²	142	120.2 Å²	120.2	66%	0.664	63%	0.631	S	S	*	*			trans	-63.7	125.1	146.2	-76	-170.1	-11.2	0	0	108.2	S570	Q568-S570 PolarHBondContact O-N 3Å; Q568-S570 VanDerWaalsContact O-N 3.09Å
569	P	34.9	Very low	42.6	Very low	33 Å²	33	122.2 Å²	122.2	21%	0.214	66%	0.655	C	S	.	*			trans	-57.9	121	162	26.1	-31.7	0	0	0	106	E567 T571 F572	E567-P569 WeakPolarHBondContact O-CD 3.32Å; P569-T571 PolarHBondContact O-N 3.09Å; P569-F572 HydrophobicContact CB-CE2 4.27Å
570	S	32.6	Very low	42.8	Very low	88 Å²	88	118.1 Å²	118.1	62%	0.615	64%	0.641	S	S	*	*			trans	-41.2	127.4	-175.5	52.3	0	0	0	0	109.5	Q568 F572	Q568-S570 PolarHBondContact O-N 3Å; Q568-S570 VanDerWaalsContact O-N 3.09Å; S570-F572 VanDerWaalsContact C-N 3.31Å; S570-F572 PolarHBondContact O-N 3.14Å
571	T	35.7	Very low	44.3	Very low	129 Å²	129	114 Å²	114	79%	0.791	62%	0.62	S	S	*	*			trans	-44.9	100.4	175.8	33.5	0	0	0	0	108.1	P569 S573	P569-T571 PolarHBondContact O-N 3.09Å; T571-S573 PolarHBondContact O-N 3.19Å
572	F	39	Very low	46.4	Very low	115 Å²	115	110.7 Å²	110.7	50%	0.504	59%	0.591	S	S	.	*			trans	-60.7	123.4	-176.1	-74.3	-83.3	0	0	0	104.7	Q305 P569 S570 E574	Q305-F572 HydrophobicContact CG-CE2 3.95Å; Q305-F572 HydrophobicContact CG-CZ 4.29Å; P569-F572 HydrophobicContact CB-CE2 4.27Å; S570-F572 VanDerWaalsContact C-N 3.31Å; S570-F572 PolarHBondContact O-N 3.14Å; F572-E574 VanDerWaalsContact C-N 3.28Å; F572-E574 PolarHBondContact O-N 3.2Å
573	S	37.4	Very low	48.7	Very low	104 Å²	104	104.4 Å²	104.4	73%	0.727	56%	0.559	S	S	*	*			trans	-55.2	103.4	169.2	31.6	0	0	0	0	105.9	T571 N575	T571-S573 PolarHBondContact O-N 3.19Å; S573-N575 VanDerWaalsContact C-N 3.35Å; S573-N575 PolarHBondContact O-N 3.08Å
574	E	43.1	Very low	51.2	Low	115 Å²	115	96 Å²	96	54%	0.537	52%	0.521	S	S	.	.			trans	-53	111.8	165.2	-82.9	-156.6	167.2	0	0	104	R515 F572 E576 W581	R515-E574 IonicContact CZ-OE2 3.62Å; R515-E574 IonicContact NE-OE2 2.78Å; R515-E574 IonicContact NH2-OE2 3.93Å; R515-E574 PolarHBondContact NH2-OE2 2.58Å; F572-E574 VanDerWaalsContact C-N 3.28Å; F572-E574 PolarHBondContact O-N 3.2Å; E574-E576 PolarHBondContact O-N 3.46Å; E574-W581 PolarHBondContact OE1-NE1 2.91Å; E574-W581 PolarHBondContact OE2-NE1 3.28Å; E574-W581 VanDerWaalsContact OE2-NE1 3.14Å
575	N	45.3	Very low	54	Low	119 Å²	119	89.2 Å²	89.2	64%	0.636	48%	0.484	S	S	*	.			trans	-57.8	113.1	173.1	-87.9	-29	0	0	0	105.2	R515 S573 Y577 D578	R515-N575 PolarHBondContact NH1-O 3.22Å; S573-N575 VanDerWaalsContact C-N 3.35Å; S573-N575 PolarHBondContact O-N 3.08Å; N575-Y577 PolarHBondContact O-N 3.44Å; N575-D578 HydrophobicContact CB-CB 4.3Å; N575-D578 WeakPolarHBondContact O-CB 3.4Å; N575-D578 PolarHBondContact O-N 3.48Å
576	E	46.9	Very low	56.5	Low	128 Å²	128	83.6 Å²	83.6	60%	0.598	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.9	-171.5	-159.7	173.7	-157.6	0	0	111.3	R515 E574	R515-E576 VanDerWaalsContact NH1-C 3.28Å; R515-E576 PolarHBondContact NH1-O 3.39Å; E574-E576 PolarHBondContact O-N 3.46Å
577	Y	49.8	Very low	58.7	Low	131 Å²	131	75.8 Å²	75.8	51%	0.514	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	11.8	-179.8	-48.2	-66.8	0	0	0	114.6	P503 N575 A579	P503-Y577 HydrophobicContact CB-CE1 4.44Å; P503-Y577 HydrophobicContact CG-CE1 4.07Å; N575-Y577 PolarHBondContact O-N 3.44Å; Y577-A579 PolarHBondContact O-N 2.74Å; Y577-A579 VanDerWaalsContact O-N 3.14Å
578	D	59.6	Low	61.2	Low	71 Å²	71	68 Å²	68	38%	0.38	38%	0.377	S	S	.	.			trans	-63.6	111.8	171.3	-173.5	-7.3	0	0	0	110.7	N575 S580 W581	N575-D578 HydrophobicContact CB-CB 4.3Å; N575-D578 WeakPolarHBondContact O-CB 3.4Å; N575-D578 PolarHBondContact O-N 3.48Å; D578-S580 VanDerWaalsContact CG-OG 3.26Å; D578-S580 PolarHBondContact O-N 2.98Å; D578-S580 WeakPolarHBondContact OD1-CB 3.45Å; D578-S580 PolarHBondContact OD1-N 3.16Å; D578-S580 PolarHBondContact OD1-OG 3.44Å; D578-S580 PolarHBondContact OD2-OG 3.07Å; D578-W581 PolarHBondContact O-N 3.25Å
579	A	54.5	Low	63.4	Low	109 Å²	109	62 Å²	62	90%	0.901	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.8	179.5	0	0	0	0	0	113.8	Y577	Y577-A579 PolarHBondContact O-N 2.74Å; Y577-A579 VanDerWaalsContact O-N 3.14Å
580	S	67.3	Low	65.8	Low	52 Å²	52	61.1 Å²	61.1	36%	0.364	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3	179.4	75.9	0	0	0	0	114.4	Q244 D578	Q244-S580 PolarHBondContact NE2-OG 3.22Å; D578-S580 VanDerWaalsContact CG-OG 3.26Å; D578-S580 PolarHBondContact O-N 2.98Å; D578-S580 WeakPolarHBondContact OD1-CB 3.45Å; D578-S580 PolarHBondContact OD1-N 3.16Å; D578-S580 PolarHBondContact OD1-OG 3.44Å; D578-S580 PolarHBondContact OD2-OG 3.07Å
581	W	81.8	Confident	68.5	Low	40 Å²	40	57.2 Å²	57.2	15%	0.152	32%	0.319	C	S	.	.			trans	-63.4	143.1	-178.2	-177.2	80.8	0	0	0	113.5	F497 R515 E574 D578 P583	F497-W581 HydrophobicContact CD2-CZ3 4.31Å; F497-W581 HydrophobicContact CE2-CZ3 4.18Å; R515-W581 HydrophobicContact CG-CD2 4.01Å; R515-W581 HydrophobicContact CG-CE3 3.76Å; R515-W581 HydrophobicContact CG-CH2 3.98Å; R515-W581 HydrophobicContact CG-CZ2 4.2Å; R515-W581 HydrophobicContact CG-CZ3 3.75Å; R515-W581 VanDerWaalsContact NE-CD2 3.31Å; R515-W581 VanDerWaalsContact NE-CG 3.25Å; R515-W581 VanDerWaalsContact NH2-CG 3.29Å; E574-W581 PolarHBondContact OE1-NE1 2.91Å; E574-W581 PolarHBondContact OE2-NE1 3.28Å; E574-W581 VanDerWaalsContact OE2-NE1 3.14Å; D578-W581 PolarHBondContact O-N 3.25Å; W581-P583 HydrophobicContact CH2-CB 3.92Å; W581-P583 HydrophobicContact CH2-CG 3.52Å; W581-P583 HydrophobicContact CZ2-CB 4.19Å; W581-P583 HydrophobicContact CZ2-CG 4.25Å; W581-P583 HydrophobicContact CZ3-CG 3.71Å
582	S	82.6	Confident	70.8	Confident	25 Å²	25	53.3 Å²	53.3	18%	0.175	30%	0.295	C	S	.	.			trans	-141.3	154.1	178	59.2	0	0	0	0	112.6	R300	R300-S582 PolarHBondContact NH1-O 2.81Å; R300-S582 VanDerWaalsContact NH1-O 3.09Å; R300-S582 PolarHBondContact NH2-O 3Å; R300-S582 PolarHBondContact NH2-OG 2.78Å
583	P	87.3	Confident	73	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.019	30%	0.302	C	S	.	.			trans	-23.7	135.2	156.6	40.4	-25.2	0	0	0	115.5	F497 W581 M587 W588	F497-P583 HydrophobicContact CD2-CG 3.97Å; F497-P583 HydrophobicContact CE2-CG 3.73Å; F497-P583 HydrophobicContact CZ-CG 4.28Å; W581-P583 HydrophobicContact CH2-CB 3.92Å; W581-P583 HydrophobicContact CH2-CG 3.52Å; W581-P583 HydrophobicContact CZ2-CB 4.19Å; W581-P583 HydrophobicContact CZ2-CG 4.25Å; W581-P583 HydrophobicContact CZ3-CG 3.71Å; P583-M587 HydrophobicContact CB-CE 4Å; P583-M587 HydrophobicContact CB-CG 4.39Å; P583-M587 HydrophobicContact CB-SD 3.36Å; P583-M587 WeakPolarHBondContact CB-SD 3.14Å; P583-M587 HydrophobicContact CG-CE 4.09Å; P583-M587 HydrophobicContact CG-SD 4.11Å; P583-W588 HydrophobicContact CB-CH2 4.49Å; P583-W588 HydrophobicContact CB-CZ2 3.97Å; P583-W588 HydrophobicContact CG-CH2 3.79Å; P583-W588 HydrophobicContact CG-CZ2 3.54Å
584	S	90.3	Very high	75.1	Confident	4 Å²	4	53.1 Å²	53.1	3%	0.028	30%	0.304	C	S	.	.			trans	-82.8	148.6	156.4	86.1	0	0	0	0	109.4	I557 V586 M587 W588 S688	I557-S584 WeakPolarHBondContact CD1-OG 3.42Å; S584-V586 VanDerWaalsContact C-N 3.26Å; S584-V586 PolarHBondContact O-N 2.88Å; S584-M587 WeakPolarHBondContact O-CB 3.49Å; S584-M587 PolarHBondContact O-N 2.9Å; S584-M587 VanDerWaalsContact O-N 3.12Å; S584-M587 PolarHBondContact OG-N 2.99Å; S584-W588 PolarHBondContact O-N 3.29Å; S584-S688 VanDerWaalsContact CA-OG 3.31Å; S584-S688 WeakPolarHBondContact CA-OG 3.47Å
585	W	91	Very high	77.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55.5	-43.2	177.2	-174.2	59	0	0	0	112.4	V250 T255 L257 H296 M587 W588 L589 F629 G648 S688	V250-W585 HydrophobicContact CB-CD2 3.8Å; V250-W585 HydrophobicContact CB-CE3 3.98Å; V250-W585 HydrophobicContact CB-CG 4.28Å; V250-W585 HydrophobicContact CB-CH2 4.37Å; V250-W585 HydrophobicContact CB-CZ2 4.21Å; V250-W585 HydrophobicContact CB-CZ3 4.24Å; V250-W585 HydrophobicContact CG1-CD2 3.74Å; V250-W585 HydrophobicContact CG1-CE3 4.42Å; V250-W585 HydrophobicContact CG1-CG 3.77Å; V250-W585 HydrophobicContact CG1-CZ2 4.36Å; T255-W585 HydrophobicContact CG2-CE3 4.37Å; T255-W585 HydrophobicContact CG2-CZ3 3.77Å; L257-W585 HydrophobicContact CD1-CH2 3.44Å; L257-W585 VanDerWaalsContact CD1-CH2 3.44Å; L257-W585 HydrophobicContact CD1-CZ2 4.14Å; L257-W585 HydrophobicContact CD1-CZ3 3.88Å; L257-W585 HydrophobicContact CG-CH2 4.08Å; H296-W585 WeakPolarHBondContact NE2-CB 3.33Å; W585-M587 VanDerWaalsContact C-N 3.32Å; W585-M587 PolarHBondContact O-N 2.86Å; W585-W588 WeakPolarHBondContact O-CB 3.44Å; W585-W588 PolarHBondContact O-N 2.85Å; W585-W588 VanDerWaalsContact O-N 3.09Å; W585-L589 HydrophobicContact CD2-CD1 4Å; W585-L589 HydrophobicContact CD2-CG 4.31Å; W585-L589 HydrophobicContact CE3-CD1 3.84Å; W585-L589 HydrophobicContact CH2-CD1 3.64Å; W585-L589 HydrophobicContact CZ2-CD1 3.79Å; W585-L589 HydrophobicContact CZ2-CD2 3.92Å; W585-L589 HydrophobicContact CZ2-CG 4.25Å; W585-L589 HydrophobicContact CZ3-CD1 3.67Å; W585-L589 PolarHBondContact O-N 2.76Å; W585-L589 VanDerWaalsContact O-N 3.13Å; W585-F629 HydrophobicContact CH2-CD1 4.45Å; W585-F629 HydrophobicContact CH2-CE1 4.41Å; W585-F629 HydrophobicContact CZ2-CD1 4.2Å; W585-F629 HydrophobicContact CZ2-CE1 4.11Å; W585-G648 WeakPolarHBondContact CZ2-O 3.23Å; W585-S688 PolarHBondContact N-OG 2.96Å
586	V	88.8	Confident	79.1	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-36.8	178.6	177.2	0	0	0	0	111.9	E254 T255 H296 C461 V462 S584 W588 L589 G590	E254-V586 HydrophobicContact CG-CG2 4.45Å; T255-V586 HydrophobicContact CG2-CG2 4Å; H296-V586 HydrophobicContact CB-CG2 3.61Å; C461-V586 HydrophobicContact CB-CG1 4.2Å; V462-V586 HydrophobicContact CG2-CG1 4.03Å; V462-V586 WeakPolarHBondContact CG2-O 3.29Å; S584-V586 VanDerWaalsContact C-N 3.26Å; S584-V586 PolarHBondContact O-N 2.88Å; V586-W588 VanDerWaalsContact C-N 3.29Å; V586-W588 PolarHBondContact O-N 3.47Å; V586-L589 PolarHBondContact O-N 3.44Å; V586-G590 PolarHBondContact O-N 3.5Å; V586-G590 VanDerWaalsContact O-N 3.13Å
587	M	88.8	Confident	81	Confident	11 Å²	11	41 Å²	41	5%	0.054	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-37.6	174	-179.6	179.7	158.8	0	0	112	G516 V555 I557 P583 S584 W585 G590	G516-M587 WeakPolarHBondContact O-CE 3.38Å; V555-M587 HydrophobicContact CB-CE 4.12Å; V555-M587 HydrophobicContact CB-CG 4.24Å; V555-M587 HydrophobicContact CG1-CG 3.67Å; I557-M587 HydrophobicContact CD1-CB 4.35Å; P583-M587 HydrophobicContact CB-CE 4Å; P583-M587 HydrophobicContact CB-CG 4.39Å; P583-M587 HydrophobicContact CB-SD 3.36Å; P583-M587 WeakPolarHBondContact CB-SD 3.14Å; P583-M587 HydrophobicContact CG-CE 4.09Å; P583-M587 HydrophobicContact CG-SD 4.11Å; S584-M587 WeakPolarHBondContact O-CB 3.49Å; S584-M587 PolarHBondContact O-N 2.9Å; S584-M587 VanDerWaalsContact O-N 3.12Å; S584-M587 PolarHBondContact OG-N 2.99Å; W585-M587 VanDerWaalsContact C-N 3.32Å; W585-M587 PolarHBondContact O-N 2.86Å; M587-G590 PolarHBondContact O-N 3.08Å
588	W	89.1	Confident	82.8	Confident	6 Å²	6	38 Å²	38	2%	0.023	25%	0.245	C	C	.	.	H	α-helix	trans	-68.9	-39.9	175.3	-59.6	129.3	0	0	0	112.9	L494 P495 F497 P583 S584 W585 V586 G590 L591 W685 P686	L494-W588 HydrophobicContact CD1-CH2 4.26Å; L494-W588 HydrophobicContact CD1-CZ2 4.04Å; L494-W588 HydrophobicContact CD2-CD2 4.25Å; L494-W588 HydrophobicContact CD2-CE3 4.27Å; L494-W588 HydrophobicContact CD2-CH2 4.1Å; L494-W588 HydrophobicContact CD2-CZ2 4.03Å; L494-W588 HydrophobicContact CD2-CZ3 4.22Å; P495-W588 HydrophobicContact CG-CZ3 4.26Å; F497-W588 AromaticContact CD1-CH2 3.66Å; F497-W588 HydrophobicContact CD1-CH2 3.66Å; F497-W588 HydrophobicContact CD1-CZ3 4.49Å; F497-W588 AromaticContact CE1-CH2 3.71Å; F497-W588 HydrophobicContact CE1-CH2 3.71Å; F497-W588 HydrophobicContact CE1-CZ2 4.2Å; F497-W588 HydrophobicContact CG-CH2 4.09Å; F497-W588 HydrophobicContact CZ-CH2 4.18Å; F497-W588 HydrophobicContact CZ-CZ2 4.35Å; P583-W588 HydrophobicContact CB-CH2 4.49Å; P583-W588 HydrophobicContact CB-CZ2 3.97Å; P583-W588 HydrophobicContact CG-CH2 3.79Å; P583-W588 HydrophobicContact CG-CZ2 3.54Å; S584-W588 PolarHBondContact O-N 3.29Å; W585-W588 WeakPolarHBondContact O-CB 3.44Å; W585-W588 PolarHBondContact O-N 2.85Å; W585-W588 VanDerWaalsContact O-N 3.09Å; V586-W588 VanDerWaalsContact C-N 3.29Å; V586-W588 PolarHBondContact O-N 3.47Å; W588-G590 PolarHBondContact O-N 2.88Å; W588-L591 HydrophobicContact CE3-CD1 3.75Å; W588-L591 HydrophobicContact CZ3-CD1 4.19Å; W588-L591 WeakPolarHBondContact O-CB 3.4Å; W588-L591 PolarHBondContact O-N 2.85Å; W588-W685 HydrophobicContact CB-CB 3.99Å; W588-W685 HydrophobicContact CB-CD2 3.63Å; W588-W685 HydrophobicContact CB-CE3 3.77Å; W588-W685 HydrophobicContact CB-CG 3.75Å; W588-W685 HydrophobicContact CB-CZ3 4.45Å; W588-W685 HydrophobicContact CD2-CE3 4.35Å; W588-W685 HydrophobicContact CE3-CE3 4.42Å; W588-W685 HydrophobicContact CE3-CZ3 4.24Å; W588-W685 HydrophobicContact CG-CD2 4.41Å; W588-W685 HydrophobicContact CG-CE3 4.11Å; W588-P686 VanDerWaalsContact CD1-O 3.29Å
589	L	86.7	Confident	84.1	Confident	16 Å²	16	37.3 Å²	37.3	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-30.8	175.8	-61.9	-179.2	0	0	0	113	T255 L458 W585 V586 L591 F629	T255-L589 HydrophobicContact CG2-CD1 4.44Å; L458-L589 HydrophobicContact CD2-CB 4.26Å; L458-L589 HydrophobicContact CD2-CD1 3.68Å; W585-L589 HydrophobicContact CD2-CD1 4Å; W585-L589 HydrophobicContact CD2-CG 4.31Å; W585-L589 HydrophobicContact CE3-CD1 3.84Å; W585-L589 HydrophobicContact CH2-CD1 3.64Å; W585-L589 HydrophobicContact CZ2-CD1 3.79Å; W585-L589 HydrophobicContact CZ2-CD2 3.92Å; W585-L589 HydrophobicContact CZ2-CG 4.25Å; W585-L589 HydrophobicContact CZ3-CD1 3.67Å; W585-L589 PolarHBondContact O-N 2.76Å; W585-L589 VanDerWaalsContact O-N 3.13Å; V586-L589 PolarHBondContact O-N 3.44Å; L589-L591 VanDerWaalsContact C-N 3.27Å; L589-L591 PolarHBondContact O-N 3.2Å; L589-F629 HydrophobicContact CD1-CZ 4.34Å; L589-F629 HydrophobicContact CD2-CE1 3.62Å; L589-F629 HydrophobicContact CD2-CZ 3.88Å
590	G	84.9	Confident	85.9	Confident	16 Å²	16	36.7 Å²	36.7	17%	0.165	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.8	178.5	0	0	0	0	0	115.5	C464 V586 M587 W588	C464-G590 PolarHBondContact SG-O 3.5Å; V586-G590 PolarHBondContact O-N 3.5Å; V586-G590 VanDerWaalsContact O-N 3.13Å; M587-G590 PolarHBondContact O-N 3.08Å; W588-G590 PolarHBondContact O-N 2.88Å
591	L	87.7	Confident	87.2	Confident	6 Å²	6	34.4 Å²	34.4	3%	0.031	20%	0.204	C	C	.	.	S	Bend	trans	-69.7	146.2	-178.3	-69.2	-175	0	0	0	112.5	P495 V518 L553 V555 W588 L589 L595 H596 W685	P495-L591 HydrophobicContact CG-CD1 3.94Å; V518-L591 HydrophobicContact CG2-CD2 4.2Å; L553-L591 HydrophobicContact CD2-CD2 4.27Å; V555-L591 HydrophobicContact CG1-CD2 4.42Å; V555-L591 HydrophobicContact CG2-CD2 3.74Å; W588-L591 HydrophobicContact CE3-CD1 3.75Å; W588-L591 HydrophobicContact CZ3-CD1 4.19Å; W588-L591 WeakPolarHBondContact O-CB 3.4Å; W588-L591 PolarHBondContact O-N 2.85Å; L589-L591 VanDerWaalsContact C-N 3.27Å; L589-L591 PolarHBondContact O-N 3.2Å; L591-L595 HydrophobicContact CD1-CD1 4.47Å; L591-L595 HydrophobicContact CD2-CD1 4.3Å; L591-H596 PolarHBondContact O-NE2 2.67Å; L591-W685 HydrophobicContact CB-CZ2 4.41Å; L591-W685 HydrophobicContact CD1-CH2 3.67Å; L591-W685 HydrophobicContact CD1-CZ2 4.27Å; L591-W685 HydrophobicContact CD1-CZ3 4.17Å
592	P	85.9	Confident	87.8	Confident	46 Å²	46	34.4 Å²	34.4	30%	0.299	21%	0.209	S	C	.	.			trans	-57.9	146.7	171.9	-24.6	34.6	0	0	0	112.6	L553 T594 L595 H596	L553-P592 HydrophobicContact CD2-CG 3.85Å; P592-T594 PolarHBondContact O-N 2.88Å; P592-L595 PolarHBondContact O-N 2.75Å; P592-H596 PolarHBondContact O-CD2 2.84Å; P592-H596 PolarHBondContact O-NE2 2.65Å
593	S	83.6	Confident	88.2	Confident	92 Å²	92	33.2 Å²	33.2	64%	0.643	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-61.4	-17.6	-179.6	55.1	0	0	0	0	114.8	L595 H596	S593-L595 PolarHBondContact O-N 2.86Å; S593-H596 WeakPolarHBondContact O-CB 3.15Å; S593-H596 PolarHBondContact O-N 2.86Å
594	T	82.9	Confident	88.3	Confident	124 Å²	124	41.5 Å²	41.5	76%	0.761	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-68.8	-15.6	171.1	50.6	0	0	0	0	113.9	P592	P592-T594 PolarHBondContact O-N 2.88Å
595	L	85.9	Confident	88.1	Confident	17 Å²	17	42.3 Å²	42.3	9%	0.089	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-104.2	2.5	175.5	-58.4	-178.1	0	0	0	112.9	V518 L520 T528 L553 L591 P592 S593 S597	V518-L595 HydrophobicContact CG1-CD1 4.2Å; L520-L595 HydrophobicContact CD2-CD1 4.13Å; L520-L595 HydrophobicContact CD2-CD2 3.87Å; T528-L595 HydrophobicContact CG2-CD2 3.71Å; L553-L595 HydrophobicContact CD2-CD1 4.02Å; L591-L595 HydrophobicContact CD1-CD1 4.47Å; L591-L595 HydrophobicContact CD2-CD1 4.3Å; P592-L595 PolarHBondContact O-N 2.75Å; S593-L595 PolarHBondContact O-N 2.86Å; L595-S597 PolarHBondContact O-N 2.92Å
596	H	86.8	Confident	87.1	Confident	53 Å²	53	48.4 Å²	48.4	25%	0.245	28%	0.276	C	S	.	.			trans	-81	117.6	179.8	-66	-175.9	0	0	0	109.4	L591 P592 S593 I683 W685	L591-H596 PolarHBondContact O-NE2 2.67Å; P592-H596 PolarHBondContact O-CD2 2.84Å; P592-H596 PolarHBondContact O-NE2 2.65Å; S593-H596 WeakPolarHBondContact O-CB 3.15Å; S593-H596 PolarHBondContact O-N 2.86Å; H596-I683 HydrophobicContact CB-CD1 3.67Å; H596-I683 HydrophobicContact CB-CG1 4.1Å; H596-I683 HydrophobicContact CB-CG2 4.32Å; H596-I683 WeakPolarHBondContact ND1-CD1 3.27Å; H596-W685 AromaticContact CD2-CZ2 3.57Å
597	S	85.3	Confident	86.1	Confident	38 Å²	38	54.4 Å²	54.4	27%	0.266	30%	0.3	S	S	.	.			trans	-84.8	126.9	165.2	-166	0	0	0	0	109.6	E493 L595 H599	E493-S597 PolarHBondContact OE2-OG 3.24Å; L595-S597 PolarHBondContact O-N 2.92Å; S597-H599 PolarHBondContact OG-NE2 2.81Å
598	C	87.4	Confident	85	Confident	66 Å²	66	60.6 Å²	60.6	45%	0.446	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.4	-177.8	-67.2	0	0	0	0	111	T681 V682	C598-T681 HydrophobicContact CB-CG2 3.93Å; C598-V682 CarbonylContact C-O 3.51Å; C598-V682 WeakPolarHBondContact CA-O 3.29Å
599	H	88.1	Confident	84.2	Confident	58 Å²	58	60.9 Å²	60.9	27%	0.269	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.5	-177.6	-54.7	99.7	0	0	0	111.8	E493 S597 T681 V682	E493-H599 IonicContact OE2-CD2 3.35Å; E493-H599 IonicContact OE2-CE1 3.53Å; E493-H599 IonicContact OE2-NE2 2.67Å; E493-H599 PolarHBondContact OE2-NE2 3.09Å; S597-H599 PolarHBondContact OG-NE2 2.81Å; H599-T681 WeakPolarHBondContact O-CA 3.37Å; H599-V682 HydrophobicContact CB-CG2 4.49Å; H599-V682 PolarHBondContact N-O 3.5Å; H599-V682 PolarHBondContact O-N 2.85Å
600	D	92.5	Very high	84	Confident	95 Å²	95	63.9 Å²	63.9	51%	0.508	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	110.3	173.8	-83.8	-9.1	0	0	0	111.6	R644 T679 T681	D600-R644 PolarHBondContact O-NH1 2.73Å; D600-T679 HydrophobicContact CB-CG2 4.12Å; D600-T681 WeakPolarHBondContact OD1-CB 3.32Å; D600-T681 WeakPolarHBondContact OD1-CG2 3.49Å; D600-T681 PolarHBondContact OD1-OG1 3.02Å
601	I	93.7	Very high	84.1	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.8	173.4	-59.4	-179.1	0	0	0	108.9	L603 R644 L645 T679 L680 V682	I601-L603 HydrophobicContact CG2-CD2 3.78Å; I601-L603 HydrophobicContact CG2-CG 4.14Å; I601-R644 HydrophobicContact CD1-CB 3.91Å; I601-R644 HydrophobicContact CG1-CB 4.3Å; I601-L645 HydrophobicContact CD1-CB 4.08Å; I601-L645 HydrophobicContact CD1-CD1 3.88Å; I601-T679 WeakPolarHBondContact O-CA 3.41Å; I601-L680 PolarHBondContact N-O 3.09Å; I601-L680 PolarHBondContact O-N 3.46Å; I601-V682 HydrophobicContact CD1-CG2 3.58Å; I601-V682 HydrophobicContact CG1-CG2 4.02Å
602	V	94.1	Very high	84.1	Confident	40 Å²	40	63.4 Å²	63.4	24%	0.242	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	94.1	179.6	177.2	0	0	0	0	109.7	R604 K677 V678 T679	V602-R604 HydrophobicContact CG1-CG 4.33Å; V602-K677 HydrophobicContact CG1-CD 4.14Å; V602-K677 HydrophobicContact CG1-CG 3.87Å; V602-V678 CarbonylContact C-O 3.56Å; V602-V678 WeakPolarHBondContact CA-O 3.36Å; V602-T679 HydrophobicContact CG2-CG2 3.89Å
603	L	92.3	Very high	84.3	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	140.2	173.6	-57.9	-178.7	0	0	0	110.5	I601 W611 F613 A639 D642 L645 K677 V678 L680	I601-L603 HydrophobicContact CG2-CD2 3.78Å; I601-L603 HydrophobicContact CG2-CG 4.14Å; L603-W611 HydrophobicContact CB-CE3 3.94Å; L603-W611 HydrophobicContact CB-CZ3 4.04Å; L603-F613 HydrophobicContact CD1-CD1 4.17Å; L603-F613 HydrophobicContact CD1-CE1 3.8Å; L603-A639 HydrophobicContact CD1-CB 4.06Å; L603-D642 HydrophobicContact CD2-CB 3.6Å; L603-L645 HydrophobicContact CD1-CD2 4.45Å; L603-K677 WeakPolarHBondContact O-CA 3.45Å; L603-V678 HydrophobicContact CB-CG1 3.87Å; L603-V678 HydrophobicContact CD1-CG1 4.45Å; L603-V678 PolarHBondContact N-O 3.04Å; L603-V678 PolarHBondContact O-N 2.88Å; L603-L680 HydrophobicContact CD1-CD1 4.03Å
604	R	89.6	Confident	84.6	Confident	176 Å²	176	59.6 Å²	59.6	66%	0.664	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.9	179.5	-63.9	176.8	-179.5	-97.3	6.9	109.8	V602 N676	V602-R604 HydrophobicContact CG1-CG 4.33Å; R604-N676 WeakPolarHBondContact CA-O 3.31Å
605	R	84.9	Confident	85	Confident	22 Å²	22	54.8 Å²	54.8	8%	0.083	29%	0.293	C	S	.	.			trans	-130	137.7	177.2	70.7	-177.1	178.9	169.2	-1.2	110.9	Y607 L608 G609 W611 P638 K672 Q674 R675 N676	R605-Y607 WeakPolarHBondContact CD-O 3.45Å; R605-Y607 WeakPolarHBondContact CG-O 3.32Å; R605-L608 PolarHBondContact NH1-O 2.82Å; R605-G609 VanDerWaalsContact CD-O 3.28Å; R605-G609 WeakPolarHBondContact CD-O 3.39Å; R605-G609 PolarHBondContact NH1-O 3.03Å; R605-W611 HydrophobicContact CB-CE3 4.23Å; R605-W611 HydrophobicContact CB-CH2 4.27Å; R605-W611 HydrophobicContact CB-CZ3 3.76Å; R605-W611 HydrophobicContact CG-CE3 4.17Å; R605-W611 HydrophobicContact CG-CH2 3.58Å; R605-W611 HydrophobicContact CG-CZ2 4.18Å; R605-W611 HydrophobicContact CG-CZ3 3.58Å; R605-P638 HydrophobicContact CB-CG 3.88Å; R605-K672 PolarHBondContact NH2-O 2.77Å; R605-Q674 PolarHBondContact NH2-O 3.36Å; R605-R675 WeakPolarHBondContact CG-O 3.37Å; R605-R675 PolarHBondContact NE-O 2.98Å; R605-N676 PolarHBondContact N-O 2.99Å
606	S	70.3	Confident	85.1	Confident	127 Å²	127	55.2 Å²	55.2	89%	0.888	30%	0.296	S	S	*	.	S	Bend	trans	-87	-12.1	-179.4	-47.7	0	0	0	0	113.4
607	Y	68.1	Low	85.1	Confident	129 Å²	129	53.7 Å²	53.7	51%	0.506	30%	0.295	S	S	.	.	S	Bend	trans	-143.8	162	-177.6	61.7	-81.4	0	0	0	110.4	R605 G609	R605-Y607 WeakPolarHBondContact CD-O 3.45Å; R605-Y607 WeakPolarHBondContact CG-O 3.32Å; Y607-G609 VanDerWaalsContact CD2-N 3.35Å; Y607-G609 PolarHBondContact O-N 2.66Å
608	L	65.6	Low	85	Confident	140 Å²	140	52.3 Å²	52.3	73%	0.733	29%	0.287	S	S	*	.	S	Bend	trans	-69.1	11.5	-174.9	-67.3	170.7	0	0	0	115.5	R605	R605-L608 PolarHBondContact NH1-O 2.82Å
609	G	71.8	Confident	84.4	Confident	12 Å²	12	53.7 Å²	53.7	12%	0.124	28%	0.283	C	S	.	.	S	Bend	trans	-74	163.3	178.6	0	0	0	0	0	113.1	R605 Y607	R605-G609 VanDerWaalsContact CD-O 3.28Å; R605-G609 WeakPolarHBondContact CD-O 3.39Å; R605-G609 PolarHBondContact NH1-O 3.03Å; Y607-G609 VanDerWaalsContact CD2-N 3.35Å; Y607-G609 PolarHBondContact O-N 2.66Å
610	S	83.3	Confident	83.7	Confident	80 Å²	80	56.3 Å²	56.3	56%	0.559	30%	0.296	S	S	*	.			trans	-50	145.9	-176.2	-174.1	0	0	0	0	113.5	G612	S610-G612 PolarHBondContact O-N 3.28Å; S610-G612 PolarHBondContact OG-N 3.39Å; S610-G612 VanDerWaalsContact OG-N 3.15Å
611	W	86.9	Confident	82.1	Confident	11 Å²	11	60 Å²	60	4%	0.042	31%	0.31	C	S	.	.			trans	-59.6	-22.9	168.4	-66.7	115.9	0	0	0	112.9	L603 R605 F613 A639 L671 Q674 V678	L603-W611 HydrophobicContact CB-CE3 3.94Å; L603-W611 HydrophobicContact CB-CZ3 4.04Å; R605-W611 HydrophobicContact CB-CE3 4.23Å; R605-W611 HydrophobicContact CB-CH2 4.27Å; R605-W611 HydrophobicContact CB-CZ3 3.76Å; R605-W611 HydrophobicContact CG-CE3 4.17Å; R605-W611 HydrophobicContact CG-CH2 3.58Å; R605-W611 HydrophobicContact CG-CZ2 4.18Å; R605-W611 HydrophobicContact CG-CZ3 3.58Å; W611-F613 HydrophobicContact CB-CD1 3.88Å; W611-F613 HydrophobicContact CB-CE1 3.51Å; W611-F613 HydrophobicContact CB-CZ 4.42Å; W611-F613 HydrophobicContact CG-CE1 4.29Å; W611-A639 VanDerWaalsContact O-CB 3.3Å; W611-A639 WeakPolarHBondContact O-CB 3.42Å; W611-A639 PolarHBondContact O-N 3.1Å; W611-L671 PolarHBondContact NE1-O 3.04Å; W611-Q674 HydrophobicContact CZ2-CB 3.72Å; W611-Q674 VanDerWaalsContact CZ2-O 3.28Å; W611-Q674 WeakPolarHBondContact CZ2-O 3.21Å; W611-V678 HydrophobicContact CD2-CG1 3.7Å; W611-V678 HydrophobicContact CE3-CG1 3.81Å; W611-V678 HydrophobicContact CG-CG1 4.35Å; W611-V678 HydrophobicContact CH2-CB 4.18Å; W611-V678 HydrophobicContact CH2-CG1 3.85Å; W611-V678 HydrophobicContact CZ2-CB 3.87Å; W611-V678 HydrophobicContact CZ2-CG1 3.72Å; W611-V678 HydrophobicContact CZ3-CG1 3.89Å
612	G	86.8	Confident	80.1	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.344	C	S	.	.	S	Bend	trans	95.3	20.5	169.2	0	0	0	0	0	115.6	S610 I633 V634 T637	S610-G612 PolarHBondContact O-N 3.28Å; S610-G612 PolarHBondContact OG-N 3.39Å; S610-G612 VanDerWaalsContact OG-N 3.15Å; G612-I633 WeakPolarHBondContact O-CA 3.38Å; G612-V634 PolarHBondContact O-N 2.9Å; G612-T637 VanDerWaalsContact CA-OG1 3.3Å; G612-T637 WeakPolarHBondContact CA-OG1 3.38Å; G612-T637 PolarHBondContact O-OG1 3.39Å
613	F	90.8	Very high	78.4	Confident	23 Å²	23	67.6 Å²	67.6	10%	0.101	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156	171.8	62.5	-90	0	0	0	110.8	L603 W611 I615 I630 T632 I633 A639 L645 I651 L671 L680	L603-F613 HydrophobicContact CD1-CD1 4.17Å; L603-F613 HydrophobicContact CD1-CE1 3.8Å; W611-F613 HydrophobicContact CB-CD1 3.88Å; W611-F613 HydrophobicContact CB-CE1 3.51Å; W611-F613 HydrophobicContact CB-CZ 4.42Å; W611-F613 HydrophobicContact CG-CE1 4.29Å; F613-I615 HydrophobicContact CD2-CG2 3.65Å; F613-I615 HydrophobicContact CE2-CG2 3.61Å; F613-I630 HydrophobicContact CB-CG2 4.3Å; F613-I630 HydrophobicContact CD2-CD1 3.56Å; F613-I630 HydrophobicContact CE2-CD1 3.94Å; F613-I630 HydrophobicContact CG-CD1 4.17Å; F613-T632 CarbonylContact C-O 3.57Å; F613-T632 WeakPolarHBondContact CA-O 3.25Å; F613-I633 HydrophobicContact CB-CG1 4.25Å; F613-A639 HydrophobicContact CB-CB 4.43Å; F613-A639 HydrophobicContact CD1-CB 3.99Å; F613-L645 HydrophobicContact CB-CD2 4.24Å; F613-L645 HydrophobicContact CD1-CD2 3.91Å; F613-L645 HydrophobicContact CE1-CD2 4.42Å; F613-L645 HydrophobicContact CG-CD2 4.05Å; F613-I651 HydrophobicContact CE2-CD1 4.3Å; F613-L671 HydrophobicContact CE2-CD1 4.11Å; F613-L671 HydrophobicContact CZ-CD1 4.17Å; F613-L671 HydrophobicContact CZ-CD2 4.3Å; F613-L680 HydrophobicContact CE1-CD1 3.88Å; F613-L680 HydrophobicContact CE2-CD1 4.49Å; F613-L680 HydrophobicContact CZ-CD1 3.72Å; F613-L680 HydrophobicContact CZ-CD2 4.46Å
614	S	88.9	Confident	76.9	Confident	35 Å²	35	69.8 Å²	69.8	25%	0.245	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	154.4	169.5	71.1	0	0	0	0	110.1	K631 T632	S614-K631 PolarHBondContact O-N 3.45Å; S614-K631 WeakPolarHBondContact OG-CB 3.22Å; S614-T632 PolarHBondContact N-O 3.45Å; S614-T632 PolarHBondContact OG-N 3.5Å; S614-T632 VanDerWaalsContact OG-N 3.07Å; S614-T632 PolarHBondContact OG-OG1 3.18Å
615	I	91.7	Very high	75.9	Confident	23 Å²	23	64.8 Å²	64.8	12%	0.118	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.7	-179.7	67.2	178.5	0	0	0	111.6	F613 F628 F629 I630 I651 L667 V668 L671	F613-I615 HydrophobicContact CD2-CG2 3.65Å; F613-I615 HydrophobicContact CE2-CG2 3.61Å; I615-F628 HydrophobicContact CD1-CD1 4.12Å; I615-F628 HydrophobicContact CD1-CE1 4.39Å; I615-F629 CarbonylContact C-O 3.58Å; I615-F629 VanDerWaalsContact CA-O 3.24Å; I615-F629 WeakPolarHBondContact CA-O 3.19Å; I615-I630 HydrophobicContact CG2-CD1 4.22Å; I615-I651 HydrophobicContact CG2-CD1 3.83Å; I615-L667 HydrophobicContact CD1-CD2 3.74Å; I615-L667 HydrophobicContact CD1-CG 4Å; I615-V668 HydrophobicContact CD1-CG2 3.87Å; I615-V668 HydrophobicContact CG1-CG2 4.31Å; I615-L671 HydrophobicContact CD1-CD1 4.17Å
616	V	89	Confident	75.6	Confident	26 Å²	26	64.7 Å²	64.7	16%	0.158	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	167.5	170	-69.3	0	0	0	0	109.8	P256 L257 F628 F629 K631	P256-V616 HydrophobicContact CB-CG2 4.03Å; P256-V616 WeakPolarHBondContact O-CG2 3.48Å; L257-V616 HydrophobicContact CD2-CG2 3.88Å; V616-F628 VanDerWaalsContact O-CA 3.28Å; V616-F628 WeakPolarHBondContact O-CA 3.45Å; V616-F629 HydrophobicContact CG2-CB 3.96Å; V616-F629 PolarHBondContact N-O 3.33Å; V616-F629 PolarHBondContact O-N 2.92Å; V616-K631 HydrophobicContact CG1-CB 3.98Å; V616-K631 HydrophobicContact CG1-CD 3.76Å; V616-K631 HydrophobicContact CG1-CG 4.15Å; V616-K631 HydrophobicContact CG2-CB 4.3Å
617	G	86.2	Confident	76.3	Confident	21 Å²	21	60.8 Å²	60.8	22%	0.216	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87	-171.8	-173.3	0	0	0	0	0	113.1	F628 H664	G617-F628 WeakPolarHBondContact O-CE1 3.18Å; G617-H664 PolarHBondContact O-ND1 2.87Å; G617-H664 VanDerWaalsContact O-ND1 3.1Å
618	G	82.2	Confident	77.3	Confident	9 Å²	9	54.8 Å²	54.8	9%	0.093	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.5	159.6	-172	0	0	0	0	0	113	Q626 F628	G618-Q626 WeakPolarHBondContact CA-O 3.31Å; G618-Q626 PolarHBondContact N-O 2.91Å; G618-F628 VanDerWaalsContact CA-CE1 3.41Å
619	Y	76.1	Confident	78.6	Confident	95 Å²	95	48.1 Å²	48.1	37%	0.373	26%	0.261	S	S	.	.			trans	-76.5	134.6	175.2	-178.2	-101.3	0	0	0	111.9	E621 N625 G661 M662 S663	Y619-E621 HydrophobicContact CE1-CG 4.21Å; Y619-N625 HydrophobicContact CD2-CB 3.98Å; Y619-G661 WeakPolarHBondContact CB-O 3.38Å; Y619-M662 PolarHBondContact N-O 2.86Å; Y619-S663 VanDerWaalsContact O-CA 3.25Å; Y619-S663 WeakPolarHBondContact O-CA 3.26Å; Y619-S663 VanDerWaalsContact O-CB 3.26Å; Y619-S663 WeakPolarHBondContact O-CB 3.33Å
620	E	72.2	Confident	79.6	Confident	114 Å²	114	47.6 Å²	47.6	53%	0.533	26%	0.255	S	S	.	.			trans	-132.8	141.4	164.2	-64.3	-165.8	167.8	0	0	109.2	N622 H623	E620-N622 PolarHBondContact O-N 2.91Å; E620-H623 HydrophobicContact CB-CB 4.39Å; E620-H623 PolarHBondContact O-N 3.31Å; E620-H623 VanDerWaalsContact O-O 3.1Å; E620-H623 IonicContact OE2-CD2 3.65Å
621	E	59.1	Low	79.8	Confident	173 Å²	173	46.1 Å²	46.1	81%	0.808	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.4	-171.2	-62.2	177	160.1	0	0	114.6	Y619	Y619-E621 HydrophobicContact CE1-CG 4.21Å
622	N	52.5	Low	79.6	Confident	138 Å²	138	45.8 Å²	45.8	74%	0.738	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.1	2.4	-178.5	-62.2	-44.2	0	0	0	113.9	E620	E620-N622 PolarHBondContact O-N 2.91Å
623	H	57.6	Low	79.7	Confident	64 Å²	64	47 Å²	47	30%	0.296	24%	0.244	S	C	.	.	S	Bend	trans	-130.8	165.9	-177.1	-74.7	-51.7	0	0	0	112	S453 E620	S453-H623 PolarHBondContact O-CE1 3.49Å; S453-H623 PolarHBondContact O-ND1 3.28Å; S453-H623 PolarHBondContact OG-CE1 2.86Å; S453-H623 PolarHBondContact OG-ND1 3.16Å; S453-H623 PolarHBondContact OG-NE2 3.24Å; E620-H623 HydrophobicContact CB-CB 4.39Å; E620-H623 PolarHBondContact O-N 3.31Å; E620-H623 VanDerWaalsContact O-O 3.1Å; E620-H623 IonicContact OE2-CD2 3.65Å
624	T	60.5	Low	79.3	Confident	47 Å²	47	47 Å²	47	29%	0.288	25%	0.246	S	C	.	.			trans	-62.5	146.2	176	41	0	0	0	0	110.8	H455 D457 Q626	H455-T624 PolarHBondContact O-OG1 3.31Å; D457-T624 HydrophobicContact CB-CG2 4.3Å; T624-Q626 PolarHBondContact O-N 3.39Å; T624-Q626 PolarHBondContact OG1-NE2 2.96Å
625	N	68.9	Low	78.9	Confident	72 Å²	72	47.6 Å²	47.6	39%	0.385	25%	0.246	S	C	.	.			trans	-72.6	89.2	-179.4	-178.9	33.8	0	0	0	110.4	Y619	Y619-N625 HydrophobicContact CD2-CB 3.98Å
626	Q	78.6	Confident	78.2	Confident	20 Å²	20	47.9 Å²	47.9	9%	0.093	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.6	-176.4	-64.7	-66.6	-20.5	0	0	111	P256 K456 G618 T624	P256-Q626 HydrophobicContact CG-CB 4.37Å; K456-Q626 PolarHBondContact O-NE2 2.87Å; G618-Q626 WeakPolarHBondContact CA-O 3.31Å; G618-Q626 PolarHBondContact N-O 2.91Å; T624-Q626 PolarHBondContact O-N 3.39Å; T624-Q626 PolarHBondContact OG1-NE2 2.96Å
627	P	84.7	Confident	78.1	Confident	45 Å²	45	47.6 Å²	47.6	29%	0.292	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	155.9	174.1	25.6	-29.6	0	0	0	111.3	L458 F629 M650	L458-P627 HydrophobicContact CD1-CG 3.73Å; P627-F629 HydrophobicContact CB-CE2 4.44Å; P627-F629 HydrophobicContact CG-CE2 3.77Å; P627-F629 HydrophobicContact CG-CZ 4.1Å; P627-F629 WeakPolarHBondContact O-CD2 3.4Å; P627-M650 HydrophobicContact CB-CG 4.25Å; P627-M650 HydrophobicContact CB-SD 3.7Å; P627-M650 HydrophobicContact CG-SD 4.03Å
628	F	90.9	Very high	78.2	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.2	-177.6	-71.6	-80.5	0	0	0	111.8	I615 V616 G617 G618 M650 I651 T659 M662 H664 L667	I615-F628 HydrophobicContact CD1-CD1 4.12Å; I615-F628 HydrophobicContact CD1-CE1 4.39Å; V616-F628 VanDerWaalsContact O-CA 3.28Å; V616-F628 WeakPolarHBondContact O-CA 3.45Å; G617-F628 WeakPolarHBondContact O-CE1 3.18Å; G618-F628 VanDerWaalsContact CA-CE1 3.41Å; F628-M650 CarbonylContact O-C 3.56Å; F628-M650 VanDerWaalsContact O-CA 3.31Å; F628-M650 WeakPolarHBondContact O-CA 3.47Å; F628-I651 HydrophobicContact CB-CB 4.2Å; F628-I651 PolarHBondContact O-N 3.36Å; F628-T659 HydrophobicContact CD2-CG2 4.45Å; F628-M662 HydrophobicContact CE2-CB 4.08Å; F628-M662 WeakPolarHBondContact CE2-O 3.5Å; F628-M662 HydrophobicContact CZ-CB 4.48Å; F628-M662 VanDerWaalsContact CZ-O 3.31Å; F628-M662 WeakPolarHBondContact CZ-O 3.39Å; F628-H664 HydrophobicContact CE1-CB 4.38Å; F628-L667 HydrophobicContact CB-CD2 4.06Å; F628-L667 HydrophobicContact CD1-CD2 3.47Å; F628-L667 VanDerWaalsContact CD1-CD2 3.47Å; F628-L667 HydrophobicContact CD2-CD2 3.53Å; F628-L667 HydrophobicContact CE1-CB 4.12Å; F628-L667 HydrophobicContact CE1-CD2 3.6Å; F628-L667 HydrophobicContact CE1-CG 4.46Å; F628-L667 HydrophobicContact CE2-CB 4.33Å; F628-L667 HydrophobicContact CE2-CD2 3.66Å; F628-L667 HydrophobicContact CG-CD2 3.39Å; F628-L667 HydrophobicContact CZ-CB 3.83Å; F628-L667 HydrophobicContact CZ-CD2 3.66Å; F628-L667 HydrophobicContact CZ-CG 4.4Å
629	F	92.3	Very high	78.6	Confident	1 Å²	1	47 Å²	47	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.9	175.1	-67	-84.9	0	0	0	112	P256 L257 L458 W585 L589 I615 V616 P627 K631 D649 M650	P256-F629 HydrophobicContact CB-CD2 4Å; P256-F629 HydrophobicContact CB-CE2 4.43Å; P256-F629 HydrophobicContact CG-CD2 3.89Å; P256-F629 HydrophobicContact CG-CE2 3.82Å; L257-F629 HydrophobicContact CD2-CB 4.26Å; L458-F629 HydrophobicContact CD1-CE2 3.88Å; L458-F629 HydrophobicContact CD1-CZ 4.18Å; W585-F629 HydrophobicContact CH2-CD1 4.45Å; W585-F629 HydrophobicContact CH2-CE1 4.41Å; W585-F629 HydrophobicContact CZ2-CD1 4.2Å; W585-F629 HydrophobicContact CZ2-CE1 4.11Å; L589-F629 HydrophobicContact CD1-CZ 4.34Å; L589-F629 HydrophobicContact CD2-CE1 3.62Å; L589-F629 HydrophobicContact CD2-CZ 3.88Å; I615-F629 CarbonylContact C-O 3.58Å; I615-F629 VanDerWaalsContact CA-O 3.24Å; I615-F629 WeakPolarHBondContact CA-O 3.19Å; V616-F629 HydrophobicContact CG2-CB 3.96Å; V616-F629 PolarHBondContact N-O 3.33Å; V616-F629 PolarHBondContact O-N 2.92Å; P627-F629 HydrophobicContact CB-CE2 4.44Å; P627-F629 HydrophobicContact CG-CE2 3.77Å; P627-F629 HydrophobicContact CG-CZ 4.1Å; P627-F629 WeakPolarHBondContact O-CD2 3.4Å; F629-K631 PolarHBondContact O-N 3.32Å; F629-D649 CarbonylContact C-O 3.53Å; F629-D649 VanDerWaalsContact CA-O 3.31Å; F629-D649 WeakPolarHBondContact CA-O 3.43Å; F629-M650 HydrophobicContact CD1-CB 3.96Å; F629-M650 HydrophobicContact CE1-CB 3.76Å; F629-M650 HydrophobicContact CE1-CG 4.33Å; F629-M650 HydrophobicContact CE1-SD 4.42Å; F629-M650 HydrophobicContact CZ-SD 4.3Å
630	I	92.7	Very high	79.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	116.9	164.2	-55.8	-56.6	0	0	0	108.4	F613 I615 I633 L645 K646 G648 D649 I651	F613-I630 HydrophobicContact CB-CG2 4.3Å; F613-I630 HydrophobicContact CD2-CD1 3.56Å; F613-I630 HydrophobicContact CE2-CD1 3.94Å; F613-I630 HydrophobicContact CG-CD1 4.17Å; I615-I630 HydrophobicContact CG2-CD1 4.22Å; I630-I633 HydrophobicContact CG2-CD1 4.1Å; I630-I633 HydrophobicContact CG2-CG1 3.74Å; I630-L645 HydrophobicContact CD1-CD1 4.08Å; I630-L645 HydrophobicContact CD1-CD2 3.93Å; I630-L645 HydrophobicContact CD1-CG 4.26Å; I630-L645 HydrophobicContact CG1-CD1 3.86Å; I630-L645 HydrophobicContact CG1-CD2 4.22Å; I630-L645 HydrophobicContact CG1-CG 4.02Å; I630-K646 WeakPolarHBondContact CB-O 3.34Å; I630-K646 WeakPolarHBondContact CG2-O 3.48Å; I630-G648 PolarHBondContact O-N 2.88Å; I630-D649 HydrophobicContact CB-CB 4.42Å; I630-D649 HydrophobicContact CG1-CB 3.89Å; I630-D649 PolarHBondContact N-O 3.47Å; I630-I651 HydrophobicContact CD1-CD1 3.73Å; I630-I651 HydrophobicContact CD1-CG1 3.92Å
631	K	87.4	Confident	79.8	Confident	50 Å²	50	50.7 Å²	50.7	22%	0.217	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-50.6	179.4	-173.9	-164.2	-176.5	174.2	0	112.4	L257 S614 V616 F629	L257-K631 HydrophobicContact CD2-CB 3.94Å; L257-K631 HydrophobicContact CD2-CG 3.97Å; S614-K631 PolarHBondContact O-N 3.45Å; S614-K631 WeakPolarHBondContact OG-CB 3.22Å; V616-K631 HydrophobicContact CG1-CB 3.98Å; V616-K631 HydrophobicContact CG1-CD 3.76Å; V616-K631 HydrophobicContact CG1-CG 4.15Å; V616-K631 HydrophobicContact CG2-CB 4.3Å; F629-K631 PolarHBondContact O-N 3.32Å
632	T	83.6	Confident	81.3	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.2	177.8	58.4	0	0	0	0	111.1	E317 F613 S614	E317-T632 VanDerWaalsContact OE2-CB 3.28Å; E317-T632 WeakPolarHBondContact OE2-CB 3.41Å; E317-T632 VanDerWaalsContact OE2-CG2 3.25Å; E317-T632 WeakPolarHBondContact OE2-CG2 3.42Å; E317-T632 PolarHBondContact OE2-OG1 3.29Å; F613-T632 CarbonylContact C-O 3.57Å; F613-T632 WeakPolarHBondContact CA-O 3.25Å; S614-T632 PolarHBondContact N-O 3.45Å; S614-T632 PolarHBondContact OG-N 3.5Å; S614-T632 VanDerWaalsContact OG-N 3.07Å; S614-T632 PolarHBondContact OG-OG1 3.18Å
633	I	87.1	Confident	82.9	Confident	24 Å²	24	40.3 Å²	40.3	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.4	172.2	-61.2	-179.2	0	0	0	107.9	G612 F613 I630 A639 L645	G612-I633 WeakPolarHBondContact O-CA 3.38Å; F613-I633 HydrophobicContact CB-CG1 4.25Å; I630-I633 HydrophobicContact CG2-CD1 4.1Å; I630-I633 HydrophobicContact CG2-CG1 3.74Å; I633-A639 HydrophobicContact CG2-CB 4.12Å; I633-L645 HydrophobicContact CD1-CB 4.09Å; I633-L645 HydrophobicContact CD1-CD2 4.29Å; I633-L645 HydrophobicContact CD1-CG 4.04Å; I633-L645 WeakPolarHBondContact CD1-O 3.47Å
634	V	83.8	Confident	84.4	Confident	25 Å²	25	43.1 Å²	43.1	15%	0.152	22%	0.223	C	C	.	.			trans	-88.4	122.7	-173.5	-177.8	0	0	0	0	109.2	R319 G612 G636 T637 Y640	R319-V634 HydrophobicContact CG-CG1 4.37Å; G612-V634 PolarHBondContact O-N 2.9Å; V634-G636 PolarHBondContact O-N 3.41Å; V634-T637 HydrophobicContact CB-CG2 3.76Å; V634-T637 HydrophobicContact CG1-CG2 3.8Å; V634-T637 WeakPolarHBondContact O-CB 3.43Å; V634-T637 WeakPolarHBondContact O-CG2 3.29Å; V634-T637 PolarHBondContact O-N 2.76Å; V634-T637 PolarHBondContact O-OG1 3.46Å; V634-Y640 WeakPolarHBondContact O-CB 3.26Å
635	L	79.4	Confident	85.9	Confident	46 Å²	46	41.2 Å²	41.2	24%	0.241	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	139	178	-56.3	178	0	0	0	111.8	L278 Y640	L278-L635 HydrophobicContact CD1-CD1 4.03Å; L635-Y640 HydrophobicContact CD2-CD2 3.63Å; L635-Y640 HydrophobicContact CD2-CE2 3.26Å; L635-Y640 HydrophobicContact CD2-CG 4.48Å
636	G	78.2	Confident	87	Confident	30 Å²	30	40.7 Å²	40.7	31%	0.309	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	16.9	176.8	0	0	0	0	0	116	V634 Y641	V634-G636 PolarHBondContact O-N 3.41Å; G636-Y641 WeakPolarHBondContact CA-OH 2.84Å; G636-Y641 WeakPolarHBondContact O-CE2 3.39Å
637	T	86	Confident	87.6	Confident	19 Å²	19	40 Å²	40	12%	0.117	20%	0.202	C	C	.	.	S	Bend	trans	-109.9	169.8	179.7	65.2	0	0	0	0	112.6	G612 V634 A639 Y640 Y641	G612-T637 VanDerWaalsContact CA-OG1 3.3Å; G612-T637 WeakPolarHBondContact CA-OG1 3.38Å; G612-T637 PolarHBondContact O-OG1 3.39Å; V634-T637 HydrophobicContact CB-CG2 3.76Å; V634-T637 HydrophobicContact CG1-CG2 3.8Å; V634-T637 WeakPolarHBondContact O-CB 3.43Å; V634-T637 WeakPolarHBondContact O-CG2 3.29Å; V634-T637 PolarHBondContact O-N 2.76Å; V634-T637 PolarHBondContact O-OG1 3.46Å; T637-A639 VanDerWaalsContact C-N 3.34Å; T637-A639 PolarHBondContact O-N 2.7Å; T637-Y640 WeakPolarHBondContact O-CB 3.39Å; T637-Y640 PolarHBondContact O-N 3.19Å; T637-Y640 VanDerWaalsContact O-N 3.09Å; T637-Y641 WeakPolarHBondContact O-CD2 3.41Å; T637-Y641 PolarHBondContact O-N 2.8Å
638	P	89.1	Confident	87.9	Confident	19 Å²	19	37.9 Å²	37.9	12%	0.123	19%	0.188	C	C	.	.	H	α-helix	trans	-53.2	-43.1	178.5	-30	37.7	0	0	0	114.9	R605 Y641 D642	R605-P638 HydrophobicContact CB-CG 3.88Å; P638-Y641 PolarHBondContact O-N 2.88Å; P638-D642 PolarHBondContact O-N 3.3Å; P638-D642 VanDerWaalsContact O-N 3.08Å
639	A	90.1	Very high	88	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-41	176.1	0	0	0	0	0	112.6	L603 W611 F613 I633 T637 G643 L645	L603-A639 HydrophobicContact CD1-CB 4.06Å; W611-A639 VanDerWaalsContact O-CB 3.3Å; W611-A639 WeakPolarHBondContact O-CB 3.42Å; W611-A639 PolarHBondContact O-N 3.1Å; F613-A639 HydrophobicContact CB-CB 4.43Å; F613-A639 HydrophobicContact CD1-CB 3.99Å; I633-A639 HydrophobicContact CG2-CB 4.12Å; T637-A639 VanDerWaalsContact C-N 3.34Å; T637-A639 PolarHBondContact O-N 2.7Å; A639-G643 PolarHBondContact O-N 3.16Å; A639-L645 HydrophobicContact CB-CD2 4.1Å
640	Y	87.1	Confident	87.9	Confident	111 Å²	111	38.3 Å²	38.3	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-65.6	-42.3	176.8	174.4	-101.1	0	0	0	112.8	V634 L635 T637 G643	V634-Y640 WeakPolarHBondContact O-CB 3.26Å; L635-Y640 HydrophobicContact CD2-CD2 3.63Å; L635-Y640 HydrophobicContact CD2-CE2 3.26Å; L635-Y640 HydrophobicContact CD2-CG 4.48Å; T637-Y640 WeakPolarHBondContact O-CB 3.39Å; T637-Y640 PolarHBondContact O-N 3.19Å; T637-Y640 VanDerWaalsContact O-N 3.09Å; Y640-G643 PolarHBondContact O-N 3.46Å
641	Y	86.1	Confident	88	Confident	174 Å²	174	38.4 Å²	38.4	68%	0.682	19%	0.191	S	C	*	.	H	α-helix	trans	-73.5	-27.4	-180	-66	-53.8	0	0	0	113.8	G636 T637 P638	G636-Y641 WeakPolarHBondContact CA-OH 2.84Å; G636-Y641 WeakPolarHBondContact O-CE2 3.39Å; T637-Y641 WeakPolarHBondContact O-CD2 3.41Å; T637-Y641 PolarHBondContact O-N 2.8Å; P638-Y641 PolarHBondContact O-N 2.88Å
642	D	90.1	Very high	88.2	Confident	50 Å²	50	37.7 Å²	37.7	27%	0.267	19%	0.191	S	C	.	.	H	α-helix	trans	-69.3	-38.6	170.5	-175	-77.2	0	0	0	111	L603 P638 R644	L603-D642 HydrophobicContact CD2-CB 3.6Å; P638-D642 PolarHBondContact O-N 3.3Å; P638-D642 VanDerWaalsContact O-N 3.08Å; D642-R644 PolarHBondContact O-N 2.83Å; D642-R644 WeakPolarHBondContact OD1-CB 3.32Å; D642-R644 WeakPolarHBondContact OD1-CG 3.48Å; D642-R644 IonicContact OD1-CZ 2.72Å; D642-R644 PolarHBondContact OD1-N 2.86Å; D642-R644 IonicContact OD1-NE 2.8Å; D642-R644 PolarHBondContact OD1-NE 2.95Å; D642-R644 IonicContact OD1-NH2 2.68Å; D642-R644 PolarHBondContact OD1-NH2 2.81Å; D642-R644 IonicContact OD2-CZ 2.92Å; D642-R644 IonicContact OD2-NE 3.64Å; D642-R644 IonicContact OD2-NH2 3.12Å; D642-R644 PolarHBondContact OD2-NH2 2.82Å
643	G	87.3	Confident	88.7	Confident	44 Å²	44	38.1 Å²	38.1	45%	0.454	20%	0.195	S	C	.	.			trans	70.2	-7.1	169	0	0	0	0	0	116.1	A639 Y640	A639-G643 PolarHBondContact O-N 3.16Å; Y640-G643 PolarHBondContact O-N 3.46Å
644	R	89.6	Confident	89.1	Confident	123 Å²	123	37 Å²	37	46%	0.464	19%	0.189	S	C	.	.			trans	-78.9	-32.8	174.2	-62.1	178	-69.2	164.3	-6.8	112.6	D600 I601 D642	D600-R644 PolarHBondContact O-NH1 2.73Å; I601-R644 HydrophobicContact CD1-CB 3.91Å; I601-R644 HydrophobicContact CG1-CB 4.3Å; D642-R644 PolarHBondContact O-N 2.83Å; D642-R644 WeakPolarHBondContact OD1-CB 3.32Å; D642-R644 WeakPolarHBondContact OD1-CG 3.48Å; D642-R644 IonicContact OD1-CZ 2.72Å; D642-R644 PolarHBondContact OD1-N 2.86Å; D642-R644 IonicContact OD1-NE 2.8Å; D642-R644 PolarHBondContact OD1-NE 2.95Å; D642-R644 IonicContact OD1-NH2 2.68Å; D642-R644 PolarHBondContact OD1-NH2 2.81Å; D642-R644 IonicContact OD2-CZ 2.92Å; D642-R644 IonicContact OD2-NE 3.64Å; D642-R644 IonicContact OD2-NH2 3.12Å; D642-R644 PolarHBondContact OD2-NH2 2.82Å
645	L	91.7	Very high	89.5	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.031	20%	0.198	C	C	.	.			trans	-75	134.9	175.5	-164.2	73	0	0	0	109.1	I601 L603 F613 I630 I633 A639 D649 L680 V682	I601-L645 HydrophobicContact CD1-CB 4.08Å; I601-L645 HydrophobicContact CD1-CD1 3.88Å; L603-L645 HydrophobicContact CD1-CD2 4.45Å; F613-L645 HydrophobicContact CB-CD2 4.24Å; F613-L645 HydrophobicContact CD1-CD2 3.91Å; F613-L645 HydrophobicContact CE1-CD2 4.42Å; F613-L645 HydrophobicContact CG-CD2 4.05Å; I630-L645 HydrophobicContact CD1-CD1 4.08Å; I630-L645 HydrophobicContact CD1-CD2 3.93Å; I630-L645 HydrophobicContact CD1-CG 4.26Å; I630-L645 HydrophobicContact CG1-CD1 3.86Å; I630-L645 HydrophobicContact CG1-CD2 4.22Å; I630-L645 HydrophobicContact CG1-CG 4.02Å; I633-L645 HydrophobicContact CD1-CB 4.09Å; I633-L645 HydrophobicContact CD1-CD2 4.29Å; I633-L645 HydrophobicContact CD1-CG 4.04Å; I633-L645 WeakPolarHBondContact CD1-O 3.47Å; A639-L645 HydrophobicContact CB-CD2 4.1Å; L645-D649 WeakPolarHBondContact CA-OD2 3.4Å; L645-D649 HydrophobicContact CD1-CB 4.38Å; L645-L680 HydrophobicContact CD1-CD1 4.36Å; L645-L680 HydrophobicContact CD2-CD1 4.25Å; L645-V682 HydrophobicContact CD1-CG1 4.01Å
646	K	91.4	Very high	90	Very high	62 Å²	62	39.7 Å²	39.7	27%	0.27	22%	0.218	S	C	.	.			trans	-132.2	161.7	-178.5	-66.9	-176.4	176.6	-178.4	0	111.7	Q263 E264 I630 D649	Q263-K646 HydrophobicContact CG-CB 4.06Å; Q263-K646 HydrophobicContact CG-CD 4.3Å; E264-K646 IonicContact OE1-NZ 3.78Å; E264-K646 PolarHBondContact OE1-NZ 3.23Å; E264-K646 VanDerWaalsContact OE1-NZ 3.09Å; E264-K646 IonicContact OE2-NZ 3.39Å; E264-K646 PolarHBondContact OE2-NZ 2.81Å; I630-K646 WeakPolarHBondContact CB-O 3.34Å; I630-K646 WeakPolarHBondContact CG2-O 3.48Å; K646-D649 PolarHBondContact N-OD2 3.36Å; K646-D649 WeakPolarHBondContact O-CB 3.25Å; K646-D649 PolarHBondContact O-N 2.93Å
647	C	91.3	Very high	90.7	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.034	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	138.3	171	-55.7	0	0	0	0	109.4	V250 V261 Q263 D649	V250-C647 HydrophobicContact CG2-CB 4.33Å; V261-C647 HydrophobicContact CG1-CB 4.37Å; Q263-C647 WeakPolarHBondContact CG-O 3.45Å; Q263-C647 PolarHBondContact NE2-O 3.14Å; C647-D649 VanDerWaalsContact C-N 3.34Å
648	G	90.6	Very high	90.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-1.4	-174	0	0	0	0	0	115.5	W585 I630	W585-G648 WeakPolarHBondContact CZ2-O 3.23Å; I630-G648 PolarHBondContact O-N 2.88Å
649	D	92.6	Very high	91	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.011	24%	0.244	C	C	.	.			trans	-66.2	139	168.8	-73.4	-12.1	0	0	0	110.7	F629 I630 L645 K646 C647 C684	F629-D649 CarbonylContact C-O 3.53Å; F629-D649 VanDerWaalsContact CA-O 3.31Å; F629-D649 WeakPolarHBondContact CA-O 3.43Å; I630-D649 HydrophobicContact CB-CB 4.42Å; I630-D649 HydrophobicContact CG1-CB 3.89Å; I630-D649 PolarHBondContact N-O 3.47Å; L645-D649 WeakPolarHBondContact CA-OD2 3.4Å; L645-D649 HydrophobicContact CD1-CB 4.38Å; K646-D649 PolarHBondContact N-OD2 3.36Å; K646-D649 WeakPolarHBondContact O-CB 3.25Å; K646-D649 PolarHBondContact O-N 2.93Å; C647-D649 VanDerWaalsContact C-N 3.34Å; D649-C684 WeakPolarHBondContact OD1-CA 3.19Å; D649-C684 PolarHBondContact OD1-SG 3.4Å; D649-C684 VanDerWaalsContact OD1-SG 3.36Å; D649-C684 PolarHBondContact OD2-SG 3.31Å
650	M	91.8	Very high	90.8	Very high	11 Å²	11	50.6 Å²	50.6	5%	0.054	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.5	-179.8	172.4	165.8	36.1	0	0	110.8	P627 F628 F629 V652 V682 I683	P627-M650 HydrophobicContact CB-CG 4.25Å; P627-M650 HydrophobicContact CB-SD 3.7Å; P627-M650 HydrophobicContact CG-SD 4.03Å; F628-M650 CarbonylContact O-C 3.56Å; F628-M650 VanDerWaalsContact O-CA 3.31Å; F628-M650 WeakPolarHBondContact O-CA 3.47Å; F629-M650 HydrophobicContact CD1-CB 3.96Å; F629-M650 HydrophobicContact CE1-CB 3.76Å; F629-M650 HydrophobicContact CE1-CG 4.33Å; F629-M650 HydrophobicContact CE1-SD 4.42Å; F629-M650 HydrophobicContact CZ-SD 4.3Å; M650-V652 HydrophobicContact CG-CG1 4.25Å; M650-V682 CarbonylContact O-C 3.59Å; M650-V682 WeakPolarHBondContact O-CA 3.44Å; M650-V682 WeakPolarHBondContact O-CB 3.41Å; M650-I683 HydrophobicContact CB-CB 4.38Å; M650-I683 HydrophobicContact CE-CB 4.21Å; M650-I683 HydrophobicContact CE-CD1 3.76Å; M650-I683 HydrophobicContact CE-CG2 4.39Å; M650-I683 PolarHBondContact N-O 3Å; M650-I683 PolarHBondContact O-N 3.07Å
651	I	93.9	Very high	90.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114.5	177.2	-47.7	176.7	0	0	0	109.8	F613 I615 F628 I630 V654 T659 V682	F613-I651 HydrophobicContact CE2-CD1 4.3Å; I615-I651 HydrophobicContact CG2-CD1 3.83Å; F628-I651 HydrophobicContact CB-CB 4.2Å; F628-I651 PolarHBondContact O-N 3.36Å; I630-I651 HydrophobicContact CD1-CD1 3.73Å; I630-I651 HydrophobicContact CD1-CG1 3.92Å; I651-V654 HydrophobicContact CG2-CG2 4.02Å; I651-T659 HydrophobicContact CG2-CG2 3.98Å; I651-T659 PolarHBondContact O-OG1 2.98Å; I651-V682 HydrophobicContact CG1-CG1 4.36Å
652	V	92.4	Very high	90.7	Very high	36 Å²	36	40.7 Å²	40.7	22%	0.218	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-23.4	177.1	-66.4	0	0	0	0	114.1	M650 S658 T659 T681 I683	M650-V652 HydrophobicContact CG-CG1 4.25Å; V652-S658 WeakPolarHBondContact O-CA 3.44Å; V652-T659 VanDerWaalsContact C-OG1 3.22Å; V652-T659 VanDerWaalsContact CA-OG1 3.31Å; V652-T659 WeakPolarHBondContact CA-OG1 3.36Å; V652-T659 PolarHBondContact O-N 3.34Å; V652-T659 PolarHBondContact O-OG1 3.16Å; V652-T659 VanDerWaalsContact O-OG1 3.09Å; V652-T681 HydrophobicContact CG2-CG2 3.8Å; V652-T681 VanDerWaalsContact CG2-O 3.27Å; V652-T681 WeakPolarHBondContact CG2-O 3.31Å; V652-T681 PolarHBondContact N-O 3Å; V652-I683 HydrophobicContact CG1-CD1 3.46Å; V652-I683 VanDerWaalsContact CG1-CD1 3.46Å; V652-I683 HydrophobicContact CG1-CG1 4.08Å; V652-I683 HydrophobicContact CG2-CG1 4.49Å
653	A	93.4	Very high	90.7	Very high	12 Å²	12	39.9 Å²	39.9	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	157.1	170.9	0	0	0	0	0	112.9	L657 T681	A653-L657 CarbonylContact C-O 3.59Å; A653-L657 WeakPolarHBondContact CA-O 3.4Å; A653-L657 VanDerWaalsContact CB-O 3.31Å; A653-L657 WeakPolarHBondContact CB-O 3.41Å; A653-T681 PolarHBondContact N-O 3.04Å; A653-T681 VanDerWaalsContact N-O 3.17Å; A653-T681 PolarHBondContact O-N 3.14Å
654	V	94.9	Very high	90.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.7	170.6	179.5	0	0	0	0	108.9	I651 G656 L657 T659 L667 M670 L671 V678 T679 L680	I651-V654 HydrophobicContact CG2-CG2 4.02Å; V654-G656 PolarHBondContact O-N 3.17Å; V654-L657 PolarHBondContact N-O 3.27Å; V654-L657 WeakPolarHBondContact O-CB 3.44Å; V654-L657 PolarHBondContact O-N 3.37Å; V654-T659 HydrophobicContact CG2-CG2 4.19Å; V654-L667 HydrophobicContact CG2-CD1 3.67Å; V654-M670 HydrophobicContact CB-CE 3.73Å; V654-M670 HydrophobicContact CG1-CE 4.21Å; V654-M670 HydrophobicContact CG2-CE 4.08Å; V654-L671 HydrophobicContact CG1-CD2 3.82Å; V654-L671 HydrophobicContact CG2-CD2 3.98Å; V654-V678 HydrophobicContact CG1-CG2 3.73Å; V654-T679 CarbonylContact C-O 3.6Å; V654-T679 WeakPolarHBondContact CA-O 3.49Å; V654-L680 HydrophobicContact CG1-CD2 4.33Å; V654-L680 HydrophobicContact CG2-CD2 3.89Å
655	N	92.9	Very high	90.5	Very high	66 Å²	66	39.8 Å²	39.8	35%	0.353	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	34.5	-174.3	-65.1	-34.3	0	0	0	113.4	L657 Q674 T679	N655-L657 VanDerWaalsContact C-N 3.31Å; N655-L657 PolarHBondContact O-N 3.44Å; N655-Q674 PolarHBondContact ND2-OE1 3.14Å; N655-T679 PolarHBondContact N-O 3.22Å; N655-T679 PolarHBondContact OD1-N 3.29Å; N655-T679 PolarHBondContact OD1-OG1 3.29Å
656	G	90.1	Very high	90.4	Very high	63 Å²	63	41.4 Å²	41.4	65%	0.649	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-3.2	-176.8	0	0	0	0	0	115.4	V654	V654-G656 PolarHBondContact O-N 3.17Å
657	L	91.9	Very high	90.4	Very high	107 Å²	107	38.4 Å²	38.4	56%	0.56	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	119.6	171.3	-60	175.8	0	0	0	109.7	A653 V654 N655 M670	A653-L657 CarbonylContact C-O 3.59Å; A653-L657 WeakPolarHBondContact CA-O 3.4Å; A653-L657 VanDerWaalsContact CB-O 3.31Å; A653-L657 WeakPolarHBondContact CB-O 3.41Å; V654-L657 PolarHBondContact N-O 3.27Å; V654-L657 WeakPolarHBondContact O-CB 3.44Å; V654-L657 PolarHBondContact O-N 3.37Å; N655-L657 VanDerWaalsContact C-N 3.31Å; N655-L657 PolarHBondContact O-N 3.44Å; L657-M670 HydrophobicContact CD1-SD 3.87Å
658	S	90.9	Very high	90.3	Very high	70 Å²	70	39.9 Å²	39.9	49%	0.49	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	136.9	177.9	-179.4	0	0	0	0	111.8	V652 V660	V652-S658 WeakPolarHBondContact O-CA 3.44Å; S658-V660 WeakPolarHBondContact OG-CG2 3.23Å; S658-V660 PolarHBondContact OG-N 2.84Å
659	T	90	Very high	90.2	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.049	28%	0.279	C	S	.	.			trans	-85.9	-6.2	174.3	55.9	0	0	0	0	113.4	F628 I651 V652 V654 G661 M662 L667	F628-T659 HydrophobicContact CD2-CG2 4.45Å; I651-T659 HydrophobicContact CG2-CG2 3.98Å; I651-T659 PolarHBondContact O-OG1 2.98Å; V652-T659 VanDerWaalsContact C-OG1 3.22Å; V652-T659 VanDerWaalsContact CA-OG1 3.31Å; V652-T659 WeakPolarHBondContact CA-OG1 3.36Å; V652-T659 PolarHBondContact O-N 3.34Å; V652-T659 PolarHBondContact O-OG1 3.16Å; V652-T659 VanDerWaalsContact O-OG1 3.09Å; V654-T659 HydrophobicContact CG2-CG2 4.19Å; T659-G661 PolarHBondContact O-N 2.89Å; T659-M662 WeakPolarHBondContact O-CB 3.33Å; T659-M662 PolarHBondContact O-N 3.13Å; T659-L667 HydrophobicContact CG2-CD1 4.02Å; T659-L667 HydrophobicContact CG2-CD2 4.14Å
660	V	85.9	Confident	90	Very high	112 Å²	112	43.7 Å²	43.7	68%	0.679	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	121.1	-177	178.4	0	0	0	0	110.6	S658 M662	S658-V660 WeakPolarHBondContact OG-CG2 3.23Å; S658-V660 PolarHBondContact OG-N 2.84Å; V660-M662 PolarHBondContact O-N 3.49Å
661	G	83	Confident	89.9	Confident	37 Å²	37	43.7 Å²	43.7	38%	0.381	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	3.5	-178.1	0	0	0	0	0	114.7	Y619 T659	Y619-G661 WeakPolarHBondContact CB-O 3.38Å; T659-G661 PolarHBondContact O-N 2.89Å
662	M	89	Confident	89.5	Confident	40 Å²	40	50.8 Å²	50.8	20%	0.197	32%	0.316	C	S	.	.			trans	-73.3	138.8	171.6	-65.7	-168.7	71	0	0	110.7	Y619 F628 T659 V660 A666 M670	Y619-M662 PolarHBondContact N-O 2.86Å; F628-M662 HydrophobicContact CE2-CB 4.08Å; F628-M662 WeakPolarHBondContact CE2-O 3.5Å; F628-M662 HydrophobicContact CZ-CB 4.48Å; F628-M662 VanDerWaalsContact CZ-O 3.31Å; F628-M662 WeakPolarHBondContact CZ-O 3.39Å; T659-M662 WeakPolarHBondContact O-CB 3.33Å; T659-M662 PolarHBondContact O-N 3.13Å; V660-M662 PolarHBondContact O-N 3.49Å; M662-A666 HydrophobicContact CE-CB 3.79Å; M662-M670 HydrophobicContact CE-CE 3.67Å; M662-M670 HydrophobicContact CE-SD 4.27Å; M662-M670 HydrophobicContact SD-CE 3.81Å
663	S	89.4	Confident	89.3	Confident	32 Å²	32	55.9 Å²	55.9	22%	0.224	34%	0.337	C	S	.	.			trans	-74.6	157.2	170.3	68.3	0	0	0	0	111.8	Y619 S665 A666 L667	Y619-S663 VanDerWaalsContact O-CA 3.25Å; Y619-S663 WeakPolarHBondContact O-CA 3.26Å; Y619-S663 VanDerWaalsContact O-CB 3.26Å; Y619-S663 WeakPolarHBondContact O-CB 3.33Å; S663-S665 PolarHBondContact O-N 3.05Å; S663-S665 PolarHBondContact OG-OG 2.95Å; S663-A666 PolarHBondContact O-N 3.45Å; S663-A666 WeakPolarHBondContact OG-CB 3.26Å; S663-A666 PolarHBondContact OG-N 3.05Å; S663-A666 VanDerWaalsContact OG-N 3.15Å; S663-L667 PolarHBondContact O-N 3.08Å; S663-L667 VanDerWaalsContact O-N 3.11Å
664	H	87.1	Confident	89	Confident	73 Å²	73	57.3 Å²	57.3	34%	0.338	34%	0.342	S	S	.	.	H	α-helix	trans	-57.3	-36.3	172.4	-165.8	98.3	0	0	0	112	G617 F628 A666 V668	G617-H664 PolarHBondContact O-ND1 2.87Å; G617-H664 VanDerWaalsContact O-ND1 3.1Å; F628-H664 HydrophobicContact CE1-CB 4.38Å; H664-A666 VanDerWaalsContact C-N 3.27Å; H664-A666 PolarHBondContact O-N 3.29Å; H664-V668 WeakPolarHBondContact O-CG2 3.3Å; H664-V668 PolarHBondContact O-N 3.22Å
665	S	87.1	Confident	88.4	Confident	93 Å²	93	66.5 Å²	66.5	65%	0.65	38%	0.376	S	S	*	.	H	α-helix	trans	-67.8	-19.8	175.6	54.4	0	0	0	0	114.3	S663 P669	S663-S665 PolarHBondContact O-N 3.05Å; S663-S665 PolarHBondContact OG-OG 2.95Å; S665-P669 WeakPolarHBondContact O-CD 3.26Å; S665-P669 WeakPolarHBondContact O-CG 3.39Å
666	A	89.6	Confident	88.1	Confident	39 Å²	39	68.5 Å²	68.5	32%	0.322	39%	0.387	S	S	.	.	H	α-helix	trans	-90.9	-41.7	175	0	0	0	0	0	112.6	M662 S663 H664 P669 M670	M662-A666 HydrophobicContact CE-CB 3.79Å; S663-A666 PolarHBondContact O-N 3.45Å; S663-A666 WeakPolarHBondContact OG-CB 3.26Å; S663-A666 PolarHBondContact OG-N 3.05Å; S663-A666 VanDerWaalsContact OG-N 3.15Å; H664-A666 VanDerWaalsContact C-N 3.27Å; H664-A666 PolarHBondContact O-N 3.29Å; A666-P669 WeakPolarHBondContact O-CD 3.32Å; A666-M670 PolarHBondContact O-N 3.2Å
667	L	89.6	Confident	88.2	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-70.1	-40.5	-176.6	-177.8	57.2	0	0	0	112.9	I615 F628 V654 T659 S663 M670 L671	I615-L667 HydrophobicContact CD1-CD2 3.74Å; I615-L667 HydrophobicContact CD1-CG 4Å; F628-L667 HydrophobicContact CB-CD2 4.06Å; F628-L667 HydrophobicContact CD1-CD2 3.47Å; F628-L667 VanDerWaalsContact CD1-CD2 3.47Å; F628-L667 HydrophobicContact CD2-CD2 3.53Å; F628-L667 HydrophobicContact CE1-CB 4.12Å; F628-L667 HydrophobicContact CE1-CD2 3.6Å; F628-L667 HydrophobicContact CE1-CG 4.46Å; F628-L667 HydrophobicContact CE2-CB 4.33Å; F628-L667 HydrophobicContact CE2-CD2 3.66Å; F628-L667 HydrophobicContact CG-CD2 3.39Å; F628-L667 HydrophobicContact CZ-CB 3.83Å; F628-L667 HydrophobicContact CZ-CD2 3.66Å; F628-L667 HydrophobicContact CZ-CG 4.4Å; V654-L667 HydrophobicContact CG2-CD1 3.67Å; T659-L667 HydrophobicContact CG2-CD1 4.02Å; T659-L667 HydrophobicContact CG2-CD2 4.14Å; S663-L667 PolarHBondContact O-N 3.08Å; S663-L667 VanDerWaalsContact O-N 3.11Å; L667-M670 HydrophobicContact CD1-CE 3.34Å; L667-M670 PolarHBondContact O-N 2.93Å; L667-L671 HydrophobicContact CD1-CD1 4.24Å; L667-L671 HydrophobicContact CD1-CG 4.18Å; L667-L671 HydrophobicContact CG-CD1 4.07Å; L667-L671 HydrophobicContact CG-CG 4.46Å; L667-L671 WeakPolarHBondContact O-CG 3.45Å; L667-L671 PolarHBondContact O-N 3.19Å
668	V	89.6	Confident	88.3	Confident	36 Å²	36	65.1 Å²	65.1	22%	0.218	35%	0.35	C	S	.	.	H	α-helix	trans	-64.3	-45	-176.9	172.1	0	0	0	0	113	I615 H664 L671 K672	I615-V668 HydrophobicContact CD1-CG2 3.87Å; I615-V668 HydrophobicContact CG1-CG2 4.31Å; H664-V668 WeakPolarHBondContact O-CG2 3.3Å; H664-V668 PolarHBondContact O-N 3.22Å; V668-L671 PolarHBondContact O-N 3.45Å; V668-K672 HydrophobicContact CG1-CD 4Å; V668-K672 WeakPolarHBondContact O-CG 3.46Å; V668-K672 PolarHBondContact O-N 3.45Å; V668-K672 VanDerWaalsContact O-N 3.1Å
669	P	88.1	Confident	88.5	Confident	55 Å²	55	62.5 Å²	62.5	36%	0.357	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-46.9	170.7	-26.6	36.8	0	0	0	112.8	S665 A666 L671 K672 E673	S665-P669 WeakPolarHBondContact O-CD 3.26Å; S665-P669 WeakPolarHBondContact O-CG 3.39Å; A666-P669 WeakPolarHBondContact O-CD 3.32Å; P669-L671 VanDerWaalsContact C-N 3.25Å; P669-L671 PolarHBondContact O-N 3.42Å; P669-K672 WeakPolarHBondContact O-CA 3.31Å; P669-K672 PolarHBondContact O-N 3.13Å; P669-E673 WeakPolarHBondContact O-CG 3.49Å; P669-E673 PolarHBondContact O-N 3.03Å
670	M	88.9	Confident	88.8	Confident	27 Å²	27	62.1 Å²	62.1	13%	0.133	33%	0.329	C	S	.	.	H	α-helix	trans	-55.9	-39.7	179.9	-178.1	174.6	60.7	0	0	112.2	V654 L657 M662 A666 L667 Q674	V654-M670 HydrophobicContact CB-CE 3.73Å; V654-M670 HydrophobicContact CG1-CE 4.21Å; V654-M670 HydrophobicContact CG2-CE 4.08Å; L657-M670 HydrophobicContact CD1-SD 3.87Å; M662-M670 HydrophobicContact CE-CE 3.67Å; M662-M670 HydrophobicContact CE-SD 4.27Å; M662-M670 HydrophobicContact SD-CE 3.81Å; A666-M670 PolarHBondContact O-N 3.2Å; L667-M670 HydrophobicContact CD1-CE 3.34Å; L667-M670 PolarHBondContact O-N 2.93Å; M670-Q674 WeakPolarHBondContact O-CG 3.44Å; M670-Q674 PolarHBondContact O-NE2 3.03Å
671	L	89.9	Confident	89.2	Confident	11 Å²	11	58 Å²	58	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-69	-39.3	173.4	-72.1	171.6	0	0	0	113	W611 F613 I615 V654 L667 V668 P669 V678 L680	W611-L671 PolarHBondContact NE1-O 3.04Å; F613-L671 HydrophobicContact CE2-CD1 4.11Å; F613-L671 HydrophobicContact CZ-CD1 4.17Å; F613-L671 HydrophobicContact CZ-CD2 4.3Å; I615-L671 HydrophobicContact CD1-CD1 4.17Å; V654-L671 HydrophobicContact CG1-CD2 3.82Å; V654-L671 HydrophobicContact CG2-CD2 3.98Å; L667-L671 HydrophobicContact CD1-CD1 4.24Å; L667-L671 HydrophobicContact CD1-CG 4.18Å; L667-L671 HydrophobicContact CG-CD1 4.07Å; L667-L671 HydrophobicContact CG-CG 4.46Å; L667-L671 WeakPolarHBondContact O-CG 3.45Å; L667-L671 PolarHBondContact O-N 3.19Å; V668-L671 PolarHBondContact O-N 3.45Å; P669-L671 VanDerWaalsContact C-N 3.25Å; P669-L671 PolarHBondContact O-N 3.42Å; L671-V678 HydrophobicContact CD2-CG2 4.04Å; L671-L680 HydrophobicContact CD2-CD2 3.71Å
672	K	86.1	Confident	89.7	Confident	150 Å²	150	56.3 Å²	56.3	65%	0.652	29%	0.286	S	S	*	.	H	α-helix	trans	-69.3	-35.2	-179.5	-76.2	172.7	178.1	175	0	113.1	R605 V668 P669 Q674	R605-K672 PolarHBondContact NH2-O 2.77Å; V668-K672 HydrophobicContact CG1-CD 4Å; V668-K672 WeakPolarHBondContact O-CG 3.46Å; V668-K672 PolarHBondContact O-N 3.45Å; V668-K672 VanDerWaalsContact O-N 3.1Å; P669-K672 WeakPolarHBondContact O-CA 3.31Å; P669-K672 PolarHBondContact O-N 3.13Å; K672-Q674 VanDerWaalsContact C-N 3.27Å; K672-Q674 PolarHBondContact O-N 3.04Å
673	E	87.1	Confident	89.8	Confident	142 Å²	142	54.6 Å²	54.6	66%	0.664	28%	0.277	S	S	*	.	H	α-helix	trans	-65.9	-26.3	178.5	-75	175.4	-173	0	0	113.5	P669 R675	P669-E673 WeakPolarHBondContact O-CG 3.49Å; P669-E673 PolarHBondContact O-N 3.03Å; E673-R675 PolarHBondContact O-N 2.94Å; E673-R675 VanDerWaalsContact O-N 3.11Å
674	Q	87.4	Confident	89.8	Confident	43 Å²	43	54.9 Å²	54.9	20%	0.201	28%	0.279	C	S	.	.			trans	-62.8	113.1	179.3	-58	-43.5	-53.7	0	0	110.8	R605 W611 N655 M670 K672 V678	R605-Q674 PolarHBondContact NH2-O 3.36Å; W611-Q674 HydrophobicContact CZ2-CB 3.72Å; W611-Q674 VanDerWaalsContact CZ2-O 3.28Å; W611-Q674 WeakPolarHBondContact CZ2-O 3.21Å; N655-Q674 PolarHBondContact ND2-OE1 3.14Å; M670-Q674 WeakPolarHBondContact O-CG 3.44Å; M670-Q674 PolarHBondContact O-NE2 3.03Å; K672-Q674 VanDerWaalsContact C-N 3.27Å; K672-Q674 PolarHBondContact O-N 3.04Å; Q674-V678 HydrophobicContact CB-CB 4.09Å; Q674-V678 HydrophobicContact CG-CB 4.05Å; Q674-V678 HydrophobicContact CG-CG2 3.94Å
675	R	81.9	Confident	89.8	Confident	193 Å²	193	51.7 Å²	51.7	73%	0.728	26%	0.264	S	S	*	.			trans	-70.4	-69.1	-173.3	-68.6	-172.8	177.8	-176.9	-0.3	113.5	R605 E673	R605-R675 WeakPolarHBondContact CG-O 3.37Å; R605-R675 PolarHBondContact NE-O 2.98Å; E673-R675 PolarHBondContact O-N 2.94Å; E673-R675 VanDerWaalsContact O-N 3.11Å
676	N	87.9	Confident	89.8	Confident	107 Å²	107	48.2 Å²	48.2	57%	0.572	24%	0.24	S	C	*	.	S	Bend	trans	-117.4	-16.3	-166.8	-59.4	3.4	0	0	0	113.7	R604 R605	R604-N676 WeakPolarHBondContact CA-O 3.31Å; R605-N676 PolarHBondContact N-O 2.99Å
677	K	91.6	Very high	89.7	Confident	99 Å²	99	46.7 Å²	46.7	43%	0.43	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	137.6	-179.9	-177.5	-166.5	173	-162.9	0	109.1	V602 L603	V602-K677 HydrophobicContact CG1-CD 4.14Å; V602-K677 HydrophobicContact CG1-CG 3.87Å; L603-K677 WeakPolarHBondContact O-CA 3.45Å
678	V	94.1	Very high	89.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.2	161.1	63	0	0	0	0	108.7	V602 L603 W611 V654 L671 Q674 L680	V602-V678 CarbonylContact C-O 3.56Å; V602-V678 WeakPolarHBondContact CA-O 3.36Å; L603-V678 HydrophobicContact CB-CG1 3.87Å; L603-V678 HydrophobicContact CD1-CG1 4.45Å; L603-V678 PolarHBondContact N-O 3.04Å; L603-V678 PolarHBondContact O-N 2.88Å; W611-V678 HydrophobicContact CD2-CG1 3.7Å; W611-V678 HydrophobicContact CE3-CG1 3.81Å; W611-V678 HydrophobicContact CG-CG1 4.35Å; W611-V678 HydrophobicContact CH2-CB 4.18Å; W611-V678 HydrophobicContact CH2-CG1 3.85Å; W611-V678 HydrophobicContact CZ2-CB 3.87Å; W611-V678 HydrophobicContact CZ2-CG1 3.72Å; W611-V678 HydrophobicContact CZ3-CG1 3.89Å; V654-V678 HydrophobicContact CG1-CG2 3.73Å; L671-V678 HydrophobicContact CD2-CG2 4.04Å; Q674-V678 HydrophobicContact CB-CB 4.09Å; Q674-V678 HydrophobicContact CG-CB 4.05Å; Q674-V678 HydrophobicContact CG-CG2 3.94Å; V678-L680 HydrophobicContact CG2-CD2 3.87Å; V678-L680 HydrophobicContact CG2-CG 4.5Å
679	T	95.5	Very high	89.8	Confident	16 Å²	16	47 Å²	47	10%	0.098	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.9	172.6	-41.6	0	0	0	0	106.9	D600 I601 V602 V654 N655	D600-T679 HydrophobicContact CB-CG2 4.12Å; I601-T679 WeakPolarHBondContact O-CA 3.41Å; V602-T679 HydrophobicContact CG2-CG2 3.89Å; V654-T679 CarbonylContact C-O 3.6Å; V654-T679 WeakPolarHBondContact CA-O 3.49Å; N655-T679 PolarHBondContact N-O 3.22Å; N655-T679 PolarHBondContact OD1-N 3.29Å; N655-T679 PolarHBondContact OD1-OG1 3.29Å
680	L	96	Very high	89.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.6	174	-55	177.4	0	0	0	107.3	I601 L603 F613 L645 V654 L671 V678 V682	I601-L680 PolarHBondContact N-O 3.09Å; I601-L680 PolarHBondContact O-N 3.46Å; L603-L680 HydrophobicContact CD1-CD1 4.03Å; F613-L680 HydrophobicContact CE1-CD1 3.88Å; F613-L680 HydrophobicContact CE2-CD1 4.49Å; F613-L680 HydrophobicContact CZ-CD1 3.72Å; F613-L680 HydrophobicContact CZ-CD2 4.46Å; L645-L680 HydrophobicContact CD1-CD1 4.36Å; L645-L680 HydrophobicContact CD2-CD1 4.25Å; V654-L680 HydrophobicContact CG1-CD2 4.33Å; V654-L680 HydrophobicContact CG2-CD2 3.89Å; L671-L680 HydrophobicContact CD2-CD2 3.71Å; V678-L680 HydrophobicContact CG2-CD2 3.87Å; V678-L680 HydrophobicContact CG2-CG 4.5Å; L680-V682 HydrophobicContact CB-CG1 3.93Å
681	T	94.8	Very high	89.8	Confident	26 Å²	26	45.5 Å²	45.5	16%	0.16	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115.9	166.1	-48	0	0	0	0	106.4	C598 H599 D600 V652 A653	C598-T681 HydrophobicContact CB-CG2 3.93Å; H599-T681 WeakPolarHBondContact O-CA 3.37Å; D600-T681 WeakPolarHBondContact OD1-CB 3.32Å; D600-T681 WeakPolarHBondContact OD1-CG2 3.49Å; D600-T681 PolarHBondContact OD1-OG1 3.02Å; V652-T681 HydrophobicContact CG2-CG2 3.8Å; V652-T681 VanDerWaalsContact CG2-O 3.27Å; V652-T681 WeakPolarHBondContact CG2-O 3.31Å; V652-T681 PolarHBondContact N-O 3Å; A653-T681 PolarHBondContact N-O 3.04Å; A653-T681 VanDerWaalsContact N-O 3.17Å; A653-T681 PolarHBondContact O-N 3.14Å
682	V	93.4	Very high	89.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	157.6	-174.2	-60.6	0	0	0	0	111.5	C598 H599 I601 L645 M650 I651 L680	C598-V682 CarbonylContact C-O 3.51Å; C598-V682 WeakPolarHBondContact CA-O 3.29Å; H599-V682 HydrophobicContact CB-CG2 4.49Å; H599-V682 PolarHBondContact N-O 3.5Å; H599-V682 PolarHBondContact O-N 2.85Å; I601-V682 HydrophobicContact CD1-CG2 3.58Å; I601-V682 HydrophobicContact CG1-CG2 4.02Å; L645-V682 HydrophobicContact CD1-CG1 4.01Å; M650-V682 CarbonylContact O-C 3.59Å; M650-V682 WeakPolarHBondContact O-CA 3.44Å; M650-V682 WeakPolarHBondContact O-CB 3.41Å; I651-V682 HydrophobicContact CG1-CG1 4.36Å; L680-V682 HydrophobicContact CB-CG1 3.93Å
683	I	90.7	Very high	90	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.4	165.5	-60.3	158.7	0	0	0	107	H596 M650 V652 W685	H596-I683 HydrophobicContact CB-CD1 3.67Å; H596-I683 HydrophobicContact CB-CG1 4.1Å; H596-I683 HydrophobicContact CB-CG2 4.32Å; H596-I683 WeakPolarHBondContact ND1-CD1 3.27Å; M650-I683 HydrophobicContact CB-CB 4.38Å; M650-I683 HydrophobicContact CE-CB 4.21Å; M650-I683 HydrophobicContact CE-CD1 3.76Å; M650-I683 HydrophobicContact CE-CG2 4.39Å; M650-I683 PolarHBondContact N-O 3Å; M650-I683 PolarHBondContact O-N 3.07Å; V652-I683 HydrophobicContact CG1-CD1 3.46Å; V652-I683 VanDerWaalsContact CG1-CD1 3.46Å; V652-I683 HydrophobicContact CG1-CG1 4.08Å; V652-I683 HydrophobicContact CG2-CG1 4.49Å; I683-W685 HydrophobicContact CG2-CD2 4.3Å; I683-W685 HydrophobicContact CG2-CG 4.49Å; I683-W685 HydrophobicContact CG2-CZ2 4.12Å
684	C	89.3	Confident	90.2	Very high	39 Å²	39	35.6 Å²	35.6	26%	0.264	17%	0.173	S	C	.	.			trans	-100.9	107.1	-178.3	-65.6	0	0	0	0	110.2	D649	D649-C684 WeakPolarHBondContact OD1-CA 3.19Å; D649-C684 PolarHBondContact OD1-SG 3.4Å; D649-C684 VanDerWaalsContact OD1-SG 3.36Å; D649-C684 PolarHBondContact OD2-SG 3.31Å
685	W	88.2	Confident	90.4	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.019	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-100.3	137.8	171.5	-65.9	120.7	0	0	0	110.9	Q263 L494 W588 L591 H596 I683 G687	Q263-W685 PolarHBondContact NE2-O 3Å; Q263-W685 VanDerWaalsContact NE2-O 3.08Å; L494-W685 HydrophobicContact CD2-CE3 3.92Å; L494-W685 HydrophobicContact CD2-CZ3 3.95Å; W588-W685 HydrophobicContact CB-CB 3.99Å; W588-W685 HydrophobicContact CB-CD2 3.63Å; W588-W685 HydrophobicContact CB-CE3 3.77Å; W588-W685 HydrophobicContact CB-CG 3.75Å; W588-W685 HydrophobicContact CB-CZ3 4.45Å; W588-W685 HydrophobicContact CD2-CE3 4.35Å; W588-W685 HydrophobicContact CE3-CE3 4.42Å; W588-W685 HydrophobicContact CE3-CZ3 4.24Å; W588-W685 HydrophobicContact CG-CD2 4.41Å; W588-W685 HydrophobicContact CG-CE3 4.11Å; L591-W685 HydrophobicContact CB-CZ2 4.41Å; L591-W685 HydrophobicContact CD1-CH2 3.67Å; L591-W685 HydrophobicContact CD1-CZ2 4.27Å; L591-W685 HydrophobicContact CD1-CZ3 4.17Å; H596-W685 AromaticContact CD2-CZ2 3.57Å; I683-W685 HydrophobicContact CG2-CD2 4.3Å; I683-W685 HydrophobicContact CG2-CG 4.49Å; I683-W685 HydrophobicContact CG2-CZ2 4.12Å; W685-G687 PolarHBondContact O-N 3.33Å
686	P	86.6	Confident	90.9	Very high	21 Å²	21	24.7 Å²	24.7	14%	0.136	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-68	134.2	170.9	30.3	-32.6	0	0	0	109.3	L494 W588	L494-P686 HydrophobicContact CD1-CG 4.15Å; L494-P686 HydrophobicContact CD2-CG 3.83Å; L494-P686 HydrophobicContact CG-CG 4.42Å; W588-P686 VanDerWaalsContact CD1-O 3.29Å
687	G	87.8	Confident	91.1	Very high	7 Å²	7	18.8 Å²	18.8	7%	0.072	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-65.3	168.3	170.1	0	0	0	0	0	112.1	S248 I249 W685 L689	S248-G687 WeakPolarHBondContact OG-CA 3.49Å; S248-G687 PolarHBondContact OG-N 3.43Å; S248-G687 VanDerWaalsContact OG-N 3.16Å; S248-G687 PolarHBondContact OG-O 3.36Å; I249-G687 CarbonylContact O-C 3.52Å; I249-G687 WeakPolarHBondContact O-CA 3.41Å; W685-G687 PolarHBondContact O-N 3.33Å; G687-L689 PolarHBondContact O-N 3.21Å
688	S	90.9	Very high	91.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	124	175.1	-61.6	0	0	0	0	109.8	S248 I249 H296 S584 W585	S248-S688 WeakPolarHBondContact CA-O 3.49Å; I249-S688 WeakPolarHBondContact CG1-O 3.49Å; I249-S688 PolarHBondContact N-O 3.39Å; I249-S688 PolarHBondContact O-N 2.98Å; H296-S688 PolarHBondContact CD2-OG 3.15Å; H296-S688 PolarHBondContact NE2-OG 3.41Å; S584-S688 VanDerWaalsContact CA-OG 3.31Å; S584-S688 WeakPolarHBondContact CA-OG 3.47Å; W585-S688 PolarHBondContact N-OG 2.96Å
689	L	89.8	Confident	90.9	Very high	43 Å²	43	13.7 Å²	13.7	23%	0.225	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	133.6	169.6	-175.8	66.3	0	0	0	109.8	Q244 Y266 G687	Q244-L689 VanDerWaalsContact OE1-CD2 3.3Å; Y266-L689 HydrophobicContact CD2-CD1 3.72Å; Y266-L689 HydrophobicContact CE2-CD1 3.43Å; Y266-L689 VanDerWaalsContact CE2-CD1 3.43Å; G687-L689 PolarHBondContact O-N 3.21Å
690	V	87.3	Confident	90.4	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.018	8%	0.083	C	C	.	.			trans	-139.4	0	174	-62.8	0	0	0	0	111.9	Q244 L245 G246 I247 I249 R300 L303	Q244-V690 WeakPolarHBondContact CA-OXT 3.25Å; Q244-V690 WeakPolarHBondContact CB-OXT 3.28Å; L245-V690 CarbonylContact C-O 3.53Å; L245-V690 WeakPolarHBondContact CB-O 3.36Å; L245-V690 WeakPolarHBondContact CB-OXT 3.43Å; L245-V690 HydrophobicContact CD1-CG2 4.38Å; L245-V690 PolarHBondContact N-O 3.13Å; L245-V690 PolarHBondContact N-OXT 3.44Å; G246-V690 PolarHBondContact N-O 2.78Å; I247-V690 HydrophobicContact CD1-CG2 4.05Å; I247-V690 HydrophobicContact CG1-CG2 3.49Å; I247-V690 VanDerWaalsContact CG1-CG2 3.49Å; I247-V690 PolarHBondContact N-O 2.66Å; I247-V690 VanDerWaalsContact N-O 3.16Å; I247-V690 PolarHBondContact O-N 3.46Å; I249-V690 HydrophobicContact CD1-CG1 4.29Å; I249-V690 HydrophobicContact CG1-CG1 4.37Å; I249-V690 HydrophobicContact CG1-CG2 4.37Å; I249-V690 HydrophobicContact CG2-CG2 4.19Å; R300-V690 HydrophobicContact CB-CG1 4.4Å; R300-V690 HydrophobicContact CG-CG1 3.65Å; L303-V690 HydrophobicContact CB-CB 4.17Å; L303-V690 HydrophobicContact CB-CG1 4.28Å; L303-V690 HydrophobicContact CB-CG2 4.14Å; L303-V690 HydrophobicContact CD1-CG2 4.39Å

Retrieved 690 of 690 residues in 296.6 ms (Link to these results)

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