A0A077Z1B1_TRITR Loading...

RRM 1 and DND1 DSRM domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1B1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 701 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	37.5	Very low	243 Å²	243	130.1 Å²	130.1	100%	1.197	81%	0.814	S	S	*	*				0	149.4	0	-73	170.4	164.7	0	0	107.9
2	S	39.4	Very low	37.6	Very low	116 Å²	116	127.8 Å²	127.8	81%	0.811	82%	0.817	S	S	*	*			trans	23.1	137.7	166.1	-62.4	0	0	0	0	121.8
3	S	40	Very low	37.1	Very low	93 Å²	93	128.2 Å²	128.2	65%	0.65	82%	0.816	S	S	*	*			cis	-177.5	138.1	-3.4	43	0	0	0	0	112.4
4	C	36.8	Very low	37.1	Very low	101 Å²	101	126.6 Å²	126.6	68%	0.682	81%	0.81	S	S	*	*			trans	68.9	153.5	138.7	-63.2	0	0	0	0	119.7
5	Q	40.4	Very low	37.1	Very low	162 Å²	162	128 Å²	128	76%	0.757	81%	0.806	S	S	*	*			cis	-165.4	152.6	-11.4	-115.4	158.5	-5.3	0	0	110.4
6	S	40.2	Very low	37.3	Very low	113 Å²	113	127.4 Å²	127.4	79%	0.79	80%	0.795	S	S	*	*			trans	58.4	149.6	150.6	56.8	0	0	0	0	121.1
7	A	39.1	Very low	37.6	Very low	91 Å²	91	129.5 Å²	129.5	75%	0.752	79%	0.79	S	S	*	*			cis	-162.7	154.2	-18.4	0	0	0	0	0	112.3
8	N	35.7	Very low	37.7	Very low	153 Å²	153	133.9 Å²	133.9	82%	0.818	80%	0.796	S	S	*	*			trans	-29.9	136.5	154.2	-57.5	-15	0	0	0	113.8
9	A	33.8	Very low	37.7	Very low	90 Å²	90	130.7 Å²	130.7	74%	0.744	80%	0.795	S	S	*	*				76.6	118.8	53.2	0	0	0	0	0	114.9
10	T	38.6	Very low	37.8	Very low	155 Å²	155	132.3 Å²	132.3	95%	0.951	80%	0.798	S	S	*	*			trans	-154.5	160.3	150.7	-5.1	0	0	0	0	110.8
11	S	32	Very low	37.6	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	80%	0.798	S	S	*	*			trans	-97	146.9	-169.9	54.2	0	0	0	0	115
12	A	38	Very low	37.6	Very low	103 Å²	103	123.2 Å²	123.2	85%	0.851	78%	0.776	S	S	*	*			trans	-148.7	143.8	151	0	0	0	0	0	110.6
13	T	31.7	Very low	37.6	Very low	132 Å²	132	127 Å²	127	81%	0.81	78%	0.781	S	S	*	*			trans	-85.7	144.4	178.4	47.9	0	0	0	0	112.1
14	C	36.3	Very low	37.4	Very low	107 Å²	107	130.4 Å²	130.4	72%	0.723	79%	0.787	S	S	*	*				171.6	128.6	118.4	-94	0	0	0	0	115.3
15	I	37.9	Very low	37.6	Very low	147 Å²	147	131.7 Å²	131.7	75%	0.754	79%	0.794	S	S	*	*			trans	78.5	134.5	138	-61.6	166.4	0	0	0	120.4
16	D	40.3	Very low	37.6	Very low	118 Å²	118	131.2 Å²	131.2	63%	0.631	80%	0.796	S	S	*	*			trans	95.6	116.8	152.6	-96.5	-20.2	0	0	0	124.3
17	K	41.5	Very low	37.5	Very low	164 Å²	164	134.5 Å²	134.5	71%	0.713	80%	0.799	S	S	*	*			trans	83.3	91.3	136.7	-71.8	155.3	-172.7	151.4	0	123.6
18	K	40.1	Very low	37.4	Very low	208 Å²	208	139 Å²	139	90%	0.904	81%	0.805	S	S	*	*				74.5	135.6	121.6	-77.1	-167.5	169.8	-168.2	0	123
19	G	37.1	Very low	37.6	Very low	74 Å²	74	139.2 Å²	139.2	76%	0.763	80%	0.801	S	S	*	*			trans	93.2	86.7	155.7	0	0	0	0	0	113.6
20	D	40.2	Very low	37.8	Very low	161 Å²	161	144.4 Å²	144.4	86%	0.861	81%	0.81	S	S	*	*			cis	88.8	156.9	47.2	-153.9	7.9	0	0	0	113.5
21	S	33.9	Very low	37.6	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	80%	0.798	S	S	*	*			trans	-91	161.3	-145.3	49.5	0	0	0	0	116.1
22	G	37.6	Very low	38	Very low	72 Å²	72	143.4 Å²	143.4	74%	0.742	80%	0.797	S	S	*	*			trans	-151.2	153.5	175	0	0	0	0	0	110.9
23	Q	37.7	Very low	38.4	Very low	195 Å²	195	142.4 Å²	142.4	91%	0.911	78%	0.782	S	S	*	*			trans	-99.2	-160.1	-169.5	-69.9	168	-97.8	0	0	112.4
24	Q	37.8	Very low	39.3	Very low	164 Å²	164	140.6 Å²	140.6	77%	0.766	77%	0.77	S	S	*	*			trans	-55.6	152	-174.8	-68.7	158.2	-111.6	0	0	113	D26	Q24-D26 PolarHBondContact O-N 3.25Å
25	P	40.8	Very low	39.8	Very low	128 Å²	128	138 Å²	138	83%	0.831	76%	0.757	S	S	*	*			trans	-72.2	112.5	172.6	30	-32.9	0	0	0	110.2
26	D	38.7	Very low	40.4	Very low	152 Å²	152	138.2 Å²	138.2	81%	0.813	76%	0.755	S	S	*	*			trans	-69.6	144.6	165.9	-70.2	-56	0	0	0	110.5	Q24 E28	Q24-D26 PolarHBondContact O-N 3.25Å; D26-E28 VanDerWaalsContact C-N 3.34Å; D26-E28 PolarHBondContact O-N 2.82Å
27	E	39.3	Very low	40.7	Very low	183 Å²	183	138.8 Å²	138.8	86%	0.855	76%	0.755	S	S	*	*			trans	-76.2	82.7	175.5	-70	-174.1	102	0	0	110.7	Q29	E27-Q29 VanDerWaalsContact C-N 3.28Å; E27-Q29 PolarHBondContact O-N 2.96Å
28	E	36.5	Very low	41.4	Very low	184 Å²	184	135.5 Å²	135.5	86%	0.86	75%	0.745	S	S	*	*			trans	-70.4	82	176.7	-161.6	177.2	171.4	0	0	111.3	D26 Q30	D26-E28 VanDerWaalsContact C-N 3.34Å; D26-E28 PolarHBondContact O-N 2.82Å; E28-Q30 PolarHBondContact O-N 3.34Å
29	Q	39.4	Very low	42.2	Very low	158 Å²	158	132.1 Å²	132.1	74%	0.738	73%	0.733	S	S	*	*			trans	-59.5	124.1	175.2	-67.3	179.1	-10.6	0	0	110.3	E27 S31	E27-Q29 VanDerWaalsContact C-N 3.28Å; E27-Q29 PolarHBondContact O-N 2.96Å; Q29-S31 PolarHBondContact O-N 3.14Å
30	Q	37.9	Very low	43.3	Very low	200 Å²	200	132.9 Å²	132.9	94%	0.935	72%	0.719	S	S	*	*			trans	-71.3	82.5	-174.3	-68.2	179.5	-18.5	0	0	112.4	E28 L32	E28-Q30 PolarHBondContact O-N 3.34Å; Q30-L32 PolarHBondContact O-N 3.13Å
31	S	35	Very low	44.4	Very low	100 Å²	100	132.6 Å²	132.6	70%	0.699	71%	0.706	S	S	*	*			trans	-98	57.2	-174.2	69.3	0	0	0	0	114	Q29	Q29-S31 PolarHBondContact O-N 3.14Å
32	L	40	Very low	46	Very low	148 Å²	148	131.6 Å²	131.6	78%	0.775	70%	0.695	S	S	*	*			trans	-135.7	115.3	171.6	-70	173	0	0	0	108.7	Q30	Q30-L32 PolarHBondContact O-N 3.13Å
33	P	47.5	Very low	48	Very low	82 Å²	82	132 Å²	132	53%	0.532	68%	0.684	S	S	.	*	S	Bend		-140.4	14.2	87.2	40	-27	0	0	0	115.2	A35 E36	P33-A35 PolarHBondContact O-N 3.09Å; P33-E36 PolarHBondContact O-N 3.4Å
34	T	49.5	Very low	49.9	Very low	93 Å²	93	125.5 Å²	125.5	57%	0.571	65%	0.652	S	S	*	*	H	α-helix	trans	-55.6	-44.1	-168.9	-10.4	0	0	0	0	113.9	E36 M37 D38	T34-E36 PolarHBondContact O-N 2.88Å; T34-M37 PolarHBondContact O-N 3.36Å; T34-D38 PolarHBondContact O-N 2.82Å
35	A	48.2	Very low	51.7	Low	54 Å²	54	122.5 Å²	122.5	45%	0.446	64%	0.638	S	S	.	*	H	α-helix	trans	-65.1	-34.6	-173.5	0	0	0	0	0	114.1	P33 Q39	P33-A35 PolarHBondContact O-N 3.09Å; A35-Q39 WeakPolarHBondContact O-CG 3.24Å; A35-Q39 PolarHBondContact O-N 3.26Å
36	E	49.5	Very low	53.7	Low	151 Å²	151	120.2 Å²	120.2	71%	0.706	63%	0.625	S	S	*	*	H	α-helix	trans	-72.9	-35.2	177.8	-63.9	-167.3	147.2	0	0	111.7	P33 T34 N40	P33-E36 PolarHBondContact O-N 3.4Å; T34-E36 PolarHBondContact O-N 2.88Å; E36-N40 VanDerWaalsContact O-CB 3.29Å; E36-N40 WeakPolarHBondContact O-CB 3.21Å; E36-N40 PolarHBondContact O-N 3.08Å
37	M	46.7	Very low	55.9	Low	130 Å²	130	116.8 Å²	116.8	64%	0.64	61%	0.606	S	S	*	*	H	α-helix	trans	-64.9	-44.8	177.5	-66.3	-177.4	63.4	0	0	111.4	T34 N40 R41	T34-M37 PolarHBondContact O-N 3.36Å; M37-N40 PolarHBondContact O-N 3.03Å; M37-R41 WeakPolarHBondContact O-CB 3.46Å; M37-R41 PolarHBondContact O-N 2.93Å
38	D	55.9	Low	57.8	Low	95 Å²	95	109 Å²	109	51%	0.508	57%	0.571	S	S	.	*	H	α-helix	trans	-65.5	-45.3	177.8	-74.1	-31	0	0	0	111.9	T34 N40 R41 T42	T34-D38 PolarHBondContact O-N 2.82Å; D38-N40 PolarHBondContact O-N 2.95Å; D38-R41 WeakPolarHBondContact O-CB 3.23Å; D38-R41 PolarHBondContact O-N 3.2Å; D38-T42 PolarHBondContact O-N 3.13Å; D38-T42 PolarHBondContact O-OG1 3.49Å; D38-T42 VanDerWaalsContact O-OG1 3.09Å
39	Q	56.5	Low	59.9	Low	137 Å²	137	103.1 Å²	103.1	64%	0.64	55%	0.554	S	S	*	*	H	α-helix	trans	-59.6	-43.3	176.8	-73.4	179.7	23.4	0	0	112.7	A35 R41 T42 T43	A35-Q39 WeakPolarHBondContact O-CG 3.24Å; A35-Q39 PolarHBondContact O-N 3.26Å; Q39-R41 VanDerWaalsContact C-N 3.34Å; Q39-T42 PolarHBondContact O-N 3.38Å; Q39-T43 WeakPolarHBondContact O-CB 3.48Å; Q39-T43 PolarHBondContact O-N 3.26Å; Q39-T43 PolarHBondContact O-OG1 3.42Å
40	N	61.9	Low	62.2	Low	90 Å²	90	98.5 Å²	98.5	48%	0.481	54%	0.539	S	S	.	.	H	α-helix	trans	-64	-40.9	177.7	-168.2	-25.7	0	0	0	110.9	E36 M37 D38 T43 K44	E36-N40 VanDerWaalsContact O-CB 3.29Å; E36-N40 WeakPolarHBondContact O-CB 3.21Å; E36-N40 PolarHBondContact O-N 3.08Å; M37-N40 PolarHBondContact O-N 3.03Å; D38-N40 PolarHBondContact O-N 2.95Å; N40-T43 PolarHBondContact O-N 2.86Å; N40-K44 WeakPolarHBondContact O-CG 3.27Å; N40-K44 PolarHBondContact O-N 2.86Å; N40-K44 VanDerWaalsContact O-N 3.08Å; N40-K44 WeakPolarHBondContact OD1-CE 3.5Å
41	R	62.8	Low	64.5	Low	155 Å²	155	90.5 Å²	90.5	59%	0.585	50%	0.501	S	S	*	.	H	α-helix	trans	-62.7	-52.8	175	-178.6	178.8	175.3	170.8	0.3	112.3	M37 D38 Q39 T43 K44 E45	M37-R41 WeakPolarHBondContact O-CB 3.46Å; M37-R41 PolarHBondContact O-N 2.93Å; D38-R41 WeakPolarHBondContact O-CB 3.23Å; D38-R41 PolarHBondContact O-N 3.2Å; Q39-R41 VanDerWaalsContact C-N 3.34Å; R41-T43 PolarHBondContact O-N 2.94Å; R41-K44 PolarHBondContact O-N 2.93Å; R41-K44 VanDerWaalsContact O-N 3.12Å; R41-E45 IonicContact CZ-OE1 3.5Å; R41-E45 IonicContact NE-OE1 3.36Å; R41-E45 PolarHBondContact NE-OE1 3.36Å; R41-E45 IonicContact NH2-OE1 3.27Å; R41-E45 PolarHBondContact NH2-OE1 3.19Å; R41-E45 VanDerWaalsContact NH2-OE1 3.09Å; R41-E45 PolarHBondContact O-N 2.89Å
42	T	67.3	Low	66.7	Low	92 Å²	92	86.7 Å²	86.7	56%	0.564	48%	0.476	S	S	*	.	H	α-helix	trans	-58.6	-38.5	178.7	-54.7	0	0	0	0	111.5	D38 Q39 E45 S46	D38-T42 PolarHBondContact O-N 3.13Å; D38-T42 PolarHBondContact O-OG1 3.49Å; D38-T42 VanDerWaalsContact O-OG1 3.09Å; Q39-T42 PolarHBondContact O-N 3.38Å; T42-E45 PolarHBondContact O-N 2.93Å; T42-S46 VanDerWaalsContact O-CB 3.31Å; T42-S46 WeakPolarHBondContact O-CB 3.31Å; T42-S46 PolarHBondContact O-N 2.87Å
43	T	79.2	Confident	68.8	Low	81 Å²	81	87.6 Å²	87.6	50%	0.497	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-44.8	176.2	-56.3	0	0	0	0	111.6	Q39 N40 R41 S46 L47	Q39-T43 WeakPolarHBondContact O-CB 3.48Å; Q39-T43 PolarHBondContact O-N 3.26Å; Q39-T43 PolarHBondContact O-OG1 3.42Å; N40-T43 PolarHBondContact O-N 2.86Å; R41-T43 PolarHBondContact O-N 2.94Å; T43-S46 PolarHBondContact O-N 3.04Å; T43-L47 HydrophobicContact CG2-CD1 4.19Å; T43-L47 WeakPolarHBondContact O-CB 3.28Å; T43-L47 WeakPolarHBondContact O-CG 3.45Å; T43-L47 PolarHBondContact O-N 2.84Å
44	K	76.8	Confident	70.6	Confident	59 Å²	59	87.2 Å²	87.2	26%	0.257	48%	0.479	S	S	.	.	H	α-helix	trans	-65.3	-42.5	177.5	-74.8	172.6	174.9	177	0	112.8	N40 R41 L48	N40-K44 WeakPolarHBondContact O-CG 3.27Å; N40-K44 PolarHBondContact O-N 2.86Å; N40-K44 VanDerWaalsContact O-N 3.08Å; N40-K44 WeakPolarHBondContact OD1-CE 3.5Å; R41-K44 PolarHBondContact O-N 2.93Å; R41-K44 VanDerWaalsContact O-N 3.12Å; K44-L48 VanDerWaalsContact O-CB 3.3Å; K44-L48 WeakPolarHBondContact O-CB 3.32Å; K44-L48 PolarHBondContact O-N 2.85Å
45	E	77.2	Confident	72.3	Confident	101 Å²	101	84.4 Å²	84.4	47%	0.472	46%	0.463	S	S	.	.	H	α-helix	trans	-65.5	-39.6	177.5	-69.7	175.8	179.8	0	0	111.2	R41 T42 L48 A49	R41-E45 IonicContact CZ-OE1 3.5Å; R41-E45 IonicContact NE-OE1 3.36Å; R41-E45 PolarHBondContact NE-OE1 3.36Å; R41-E45 IonicContact NH2-OE1 3.27Å; R41-E45 PolarHBondContact NH2-OE1 3.19Å; R41-E45 VanDerWaalsContact NH2-OE1 3.09Å; R41-E45 PolarHBondContact O-N 2.89Å; T42-E45 PolarHBondContact O-N 2.93Å; E45-L48 PolarHBondContact O-N 3.1Å; E45-A49 PolarHBondContact O-N 2.98Å
46	S	81.8	Confident	74.1	Confident	79 Å²	79	83.2 Å²	83.2	55%	0.552	46%	0.456	S	S	*	.	H	α-helix	trans	-65.5	-46.5	174.5	-179.4	0	0	0	0	113.2	T42 T43 L48 A49 S50	T42-S46 VanDerWaalsContact O-CB 3.31Å; T42-S46 WeakPolarHBondContact O-CB 3.31Å; T42-S46 PolarHBondContact O-N 2.87Å; T43-S46 PolarHBondContact O-N 3.04Å; S46-L48 VanDerWaalsContact C-N 3.3Å; S46-L48 PolarHBondContact O-N 3.14Å; S46-A49 PolarHBondContact O-N 2.91Å; S46-S50 PolarHBondContact O-N 2.82Å
47	L	84.2	Confident	75.9	Confident	80 Å²	80	77.4 Å²	77.4	42%	0.419	43%	0.428	S	S	.	.	H	α-helix	trans	-58.3	-44.1	174.6	-75	171	0	0	0	111.1	T43 A49 S50 F51 Y97	T43-L47 HydrophobicContact CG2-CD1 4.19Å; T43-L47 WeakPolarHBondContact O-CB 3.28Å; T43-L47 WeakPolarHBondContact O-CG 3.45Å; T43-L47 PolarHBondContact O-N 2.84Å; L47-A49 PolarHBondContact O-N 3.24Å; L47-S50 PolarHBondContact O-N 3Å; L47-S50 PolarHBondContact O-OG 3.04Å; L47-F51 WeakPolarHBondContact O-CB 3.43Å; L47-F51 PolarHBondContact O-N 2.84Å; L47-Y97 HydrophobicContact CB-CE1 4.29Å
48	L	80.6	Confident	77.9	Confident	21 Å²	21	73.2 Å²	73.2	11%	0.11	41%	0.411	C	S	.	.	H	α-helix	trans	-63.5	-40.3	179.3	-168.4	68.7	0	0	0	112.7	K44 E45 S46 F51 A52 L59 M95 E96 Y97	K44-L48 VanDerWaalsContact O-CB 3.3Å; K44-L48 WeakPolarHBondContact O-CB 3.32Å; K44-L48 PolarHBondContact O-N 2.85Å; E45-L48 PolarHBondContact O-N 3.1Å; S46-L48 VanDerWaalsContact C-N 3.3Å; S46-L48 PolarHBondContact O-N 3.14Å; L48-F51 PolarHBondContact O-N 2.82Å; L48-A52 PolarHBondContact O-N 3.35Å; L48-L59 HydrophobicContact CD1-CD2 3.63Å; L48-L59 HydrophobicContact CD2-CD2 3.97Å; L48-L59 HydrophobicContact CG-CD2 3.53Å; L48-M95 HydrophobicContact CD1-CE 4.15Å; L48-M95 HydrophobicContact CD2-CE 3.72Å; L48-M95 HydrophobicContact CG-CE 4.38Å; L48-E96 HydrophobicContact CD1-CB 4.25Å; L48-E96 VanDerWaalsContact CD1-OE2 3.31Å; L48-E96 WeakPolarHBondContact CD1-OE2 3.35Å; L48-Y97 HydrophobicContact CD1-CD1 4.33Å
49	A	80.9	Confident	79.6	Confident	60 Å²	60	70.6 Å²	70.6	50%	0.496	40%	0.396	S	S	.	.	H	α-helix	trans	-62.5	-47.9	173.9	0	0	0	0	0	111.7	E45 S46 L47 F51 A52 E53	E45-A49 PolarHBondContact O-N 2.98Å; S46-A49 PolarHBondContact O-N 2.91Å; L47-A49 PolarHBondContact O-N 3.24Å; A49-F51 VanDerWaalsContact C-N 3.26Å; A49-F51 PolarHBondContact O-N 3.38Å; A49-A52 PolarHBondContact O-N 3.36Å; A49-E53 PolarHBondContact O-N 3.07Å
50	S	85.7	Confident	81.2	Confident	61 Å²	61	67 Å²	67	43%	0.427	38%	0.383	S	S	.	.	H	α-helix	trans	-61.7	-34	177.9	74.1	0	0	0	0	112.9	S46 L47 A54	S46-S50 PolarHBondContact O-N 2.82Å; L47-S50 PolarHBondContact O-N 3Å; L47-S50 PolarHBondContact O-OG 3.04Å; S50-A54 WeakPolarHBondContact O-CB 3.3Å; S50-A54 PolarHBondContact O-N 3.27Å
51	F	86.3	Confident	82.4	Confident	31 Å²	31	68 Å²	68	14%	0.136	39%	0.385	C	S	.	.	H	α-helix	trans	-70	-41.3	175.2	172.8	-98.1	0	0	0	112.4	L47 L48 A49 E53 A54 S55 Y68 E96 V100	L47-F51 WeakPolarHBondContact O-CB 3.43Å; L47-F51 PolarHBondContact O-N 2.84Å; L48-F51 PolarHBondContact O-N 2.82Å; A49-F51 VanDerWaalsContact C-N 3.26Å; A49-F51 PolarHBondContact O-N 3.38Å; F51-E53 VanDerWaalsContact C-N 3.34Å; F51-A54 PolarHBondContact O-N 2.91Å; F51-S55 VanDerWaalsContact O-CB 3.32Å; F51-S55 WeakPolarHBondContact O-CB 3.24Å; F51-S55 PolarHBondContact O-N 3.33Å; F51-S55 PolarHBondContact O-OG 3.1Å; F51-Y68 AromaticContact CE1-CD2 3.95Å; F51-Y68 HydrophobicContact CE1-CD2 3.95Å; F51-Y68 AromaticContact CE1-CE2 3.71Å; F51-Y68 HydrophobicContact CE1-CE2 3.71Å; F51-Y68 HydrophobicContact CZ-CD2 4.48Å; F51-Y68 AromaticContact CZ-CE2 3.86Å; F51-Y68 HydrophobicContact CZ-CE2 3.86Å; F51-E96 HydrophobicContact CE1-CB 4.23Å; F51-V100 HydrophobicContact CE1-CB 4.49Å; F51-V100 HydrophobicContact CE1-CG2 4.32Å; F51-V100 HydrophobicContact CE2-CB 4.42Å; F51-V100 HydrophobicContact CE2-CG1 4.5Å; F51-V100 HydrophobicContact CZ-CB 3.67Å; F51-V100 HydrophobicContact CZ-CG1 3.82Å; F51-V100 HydrophobicContact CZ-CG2 3.96Å
52	A	82.5	Confident	83.4	Confident	21 Å²	21	65.6 Å²	65.6	17%	0.174	38%	0.381	C	S	.	.	H	α-helix	trans	-65.1	-37.8	175.7	0	0	0	0	0	112.2	L48 A49 S55 G56 L59	L48-A52 PolarHBondContact O-N 3.35Å; A49-A52 PolarHBondContact O-N 3.36Å; A52-S55 PolarHBondContact O-OG 3.36Å; A52-G56 PolarHBondContact O-N 3.02Å; A52-L59 HydrophobicContact CB-CB 3.77Å; A52-L59 HydrophobicContact CB-CD2 4.04Å
53	E	83.5	Confident	84	Confident	167 Å²	167	66 Å²	66	78%	0.78	38%	0.38	S	S	*	.	H	α-helix	trans	-67.1	-51.2	173.5	-173.6	172.5	-158.4	0	0	111.6	A49 F51 S55 G56	A49-E53 PolarHBondContact O-N 3.07Å; F51-E53 VanDerWaalsContact C-N 3.34Å; E53-S55 PolarHBondContact O-N 3.47Å; E53-G56 PolarHBondContact O-N 3.15Å; E53-G56 VanDerWaalsContact O-N 3.15Å
54	A	86.1	Confident	84.3	Confident	73 Å²	73	63.3 Å²	63.3	60%	0.603	37%	0.367	S	S	*	.	H	α-helix	trans	-66.9	-33.7	-175.9	0	0	0	0	0	114.2	S50 F51	S50-A54 WeakPolarHBondContact O-CB 3.3Å; S50-A54 PolarHBondContact O-N 3.27Å; F51-A54 PolarHBondContact O-N 2.91Å
55	S	85.6	Confident	84.8	Confident	34 Å²	34	62.8 Å²	62.8	24%	0.238	37%	0.366	C	S	.	.	H	α-helix	trans	-74.8	-26.2	173.8	56.5	0	0	0	0	112.8	F51 A52 E53 Y57	F51-S55 VanDerWaalsContact O-CB 3.32Å; F51-S55 WeakPolarHBondContact O-CB 3.24Å; F51-S55 PolarHBondContact O-N 3.33Å; F51-S55 PolarHBondContact O-OG 3.1Å; A52-S55 PolarHBondContact O-OG 3.36Å; E53-S55 PolarHBondContact O-N 3.47Å; S55-Y57 WeakPolarHBondContact O-CD2 3.41Å; S55-Y57 PolarHBondContact O-N 3.42Å
56	G	84.7	Confident	85.6	Confident	29 Å²	29	58.7 Å²	58.7	30%	0.299	35%	0.346	S	S	.	.			trans	71.7	-3.4	-175.1	0	0	0	0	0	114.8	A52 E53 K72	A52-G56 PolarHBondContact O-N 3.02Å; E53-G56 PolarHBondContact O-N 3.15Å; E53-G56 VanDerWaalsContact O-N 3.15Å; G56-K72 VanDerWaalsContact O-CD 3.27Å; G56-K72 WeakPolarHBondContact O-CD 3.49Å; G56-K72 WeakPolarHBondContact O-CE 3.32Å; G56-K72 PolarHBondContact O-NZ 3.29Å
57	Y	87.7	Confident	86.1	Confident	30 Å²	30	59.1 Å²	59.1	12%	0.118	34%	0.336	C	S	.	.	S	Bend	trans	-77.6	148.7	176	-82.1	-131.2	0	0	0	110.2	S55 L59 Y68 P71 K108 I109	S55-Y57 WeakPolarHBondContact O-CD2 3.41Å; S55-Y57 PolarHBondContact O-N 3.42Å; Y57-L59 PolarHBondContact O-N 3.03Å; Y57-Y68 AromaticContact CD1-CD1 3.94Å; Y57-Y68 HydrophobicContact CD1-CD1 3.94Å; Y57-Y68 AromaticContact CD1-CE1 3.52Å; Y57-Y68 HydrophobicContact CD1-CE1 3.52Å; Y57-Y68 HydrophobicContact CD1-CE2 4.19Å; Y57-Y68 HydrophobicContact CD1-CG 4.45Å; Y57-Y68 AromaticContact CD1-CZ 3.67Å; Y57-Y68 HydrophobicContact CE1-CD1 4.48Å; Y57-Y68 AromaticContact CE1-CE1 3.85Å; Y57-Y68 HydrophobicContact CE1-CE1 3.85Å; Y57-Y68 HydrophobicContact CG-CD2 4.5Å; Y57-Y68 HydrophobicContact CG-CE1 4.02Å; Y57-Y68 AromaticContact CG-CE2 3.91Å; Y57-Y68 HydrophobicContact CG-CE2 3.91Å; Y57-Y68 AromaticContact CG-CZ 3.64Å; Y57-P71 HydrophobicContact CE1-CB 3.96Å; Y57-P71 HydrophobicContact CE1-CG 3.68Å; Y57-P71 HydrophobicContact CE2-CB 4.33Å; Y57-K108 WeakPolarHBondContact OH-CE 3.2Å; Y57-I109 PolarHBondContact OH-O 3.33Å
58	P	89.5	Confident	86.5	Confident	41 Å²	41	55.4 Å²	55.4	27%	0.266	32%	0.316	S	S	.	.			trans	-66.6	131.4	168.8	29.8	-33.1	0	0	0	109.6	Y68 G69 P70	P58-Y68 WeakPolarHBondContact O-CA 3.34Å; P58-G69 PolarHBondContact O-N 3.19Å; P58-P70 WeakPolarHBondContact CD-O 3.35Å; P58-P70 WeakPolarHBondContact CG-O 3.39Å
59	L	90.2	Very high	87	Confident	40 Å²	40	54.7 Å²	54.7	21%	0.209	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.7	170.4	-176.2	69.8	0	0	0	108.9	L48 A52 Y57 R66 R67 E96	L48-L59 HydrophobicContact CD1-CD2 3.63Å; L48-L59 HydrophobicContact CD2-CD2 3.97Å; L48-L59 HydrophobicContact CG-CD2 3.53Å; A52-L59 HydrophobicContact CB-CB 3.77Å; A52-L59 HydrophobicContact CB-CD2 4.04Å; Y57-L59 PolarHBondContact O-N 3.03Å; L59-R66 HydrophobicContact CD1-CG 3.98Å; L59-R66 HydrophobicContact CG-CG 4.35Å; L59-R67 CarbonylContact C-O 3.58Å; L59-R67 WeakPolarHBondContact CA-O 3.44Å; L59-E96 HydrophobicContact CD1-CG 4.04Å
60	V	89.5	Confident	87.4	Confident	61 Å²	61	54.4 Å²	54.4	37%	0.37	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.1	-169.8	179.6	0	0	0	0	110.5	Q62 R67	V60-Q62 HydrophobicContact CG1-CG 3.84Å; V60-R67 PolarHBondContact N-O 3.26Å; V60-R67 PolarHBondContact O-N 3.38Å
61	Q	87.7	Confident	87.5	Confident	112 Å²	112	51.8 Å²	51.8	52%	0.523	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.4	170.9	-166.8	166.8	-50.3	0	0	110.2	Q65 R66	Q61-Q65 CarbonylContact C-O 3.59Å; Q61-Q65 WeakPolarHBondContact CA-O 3.35Å; Q61-R66 HydrophobicContact CB-CB 4.48Å; Q61-R66 HydrophobicContact CB-CG 4.1Å; Q61-R66 HydrophobicContact CG-CB 4.39Å; Q61-R66 HydrophobicContact CG-CG 4.49Å; Q61-R66 VanDerWaalsContact OE1-NH2 3.11Å
62	Q	84.4	Confident	87.4	Confident	104 Å²	104	58 Å²	58	49%	0.486	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144.4	178.1	-81.1	175	8	0	0	109.2	V60 G64 Q65	V60-Q62 HydrophobicContact CG1-CG 3.84Å; Q62-G64 VanDerWaalsContact C-N 3.28Å; Q62-G64 PolarHBondContact O-N 3.47Å; Q62-G64 VanDerWaalsContact O-N 3.11Å; Q62-Q65 PolarHBondContact N-O 3.46Å; Q62-Q65 WeakPolarHBondContact O-CA 3.32Å; Q62-Q65 PolarHBondContact O-N 3.35Å
63	N	80.5	Confident	87.6	Confident	102 Å²	102	61.8 Å²	61.8	55%	0.545	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	34.4	161.1	-62.3	-3.8	0	0	0	115.3	Q65 F418	N63-Q65 VanDerWaalsContact C-N 3.31Å; N63-Q65 PolarHBondContact O-N 3.34Å; N63-F418 HydrophobicContact CB-CE2 3.74Å; N63-F418 HydrophobicContact CB-CZ 3.54Å
64	G	84	Confident	87.6	Confident	23 Å²	23	57.9 Å²	57.9	24%	0.237	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	18.7	-175.3	0	0	0	0	0	114.6	Q62 M116	Q62-G64 VanDerWaalsContact C-N 3.28Å; Q62-G64 PolarHBondContact O-N 3.47Å; Q62-G64 VanDerWaalsContact O-N 3.11Å; G64-M116 PolarHBondContact O-N 3.45Å
65	Q	89.1	Confident	87.5	Confident	49 Å²	49	64.3 Å²	64.3	23%	0.229	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.8	177.5	-43.1	-167.2	-9.2	0	0	109.7	Q61 Q62 N63 R67 M114 M115	Q61-Q65 CarbonylContact C-O 3.59Å; Q61-Q65 WeakPolarHBondContact CA-O 3.35Å; Q62-Q65 PolarHBondContact N-O 3.46Å; Q62-Q65 WeakPolarHBondContact O-CA 3.32Å; Q62-Q65 PolarHBondContact O-N 3.35Å; N63-Q65 VanDerWaalsContact C-N 3.31Å; N63-Q65 PolarHBondContact O-N 3.34Å; Q65-R67 HydrophobicContact CB-CG 4.43Å; Q65-M114 CarbonylContact C-O 3.57Å; Q65-M114 WeakPolarHBondContact CA-O 3.18Å; Q65-M115 HydrophobicContact CB-SD 4.15Å; Q65-M115 VanDerWaalsContact CD-SD 3.57Å; Q65-M115 HydrophobicContact CG-CE 4.29Å; Q65-M115 HydrophobicContact CG-SD 3.55Å; Q65-M115 VanDerWaalsContact CG-SD 3.55Å
66	R	92.1	Very high	87.4	Confident	15 Å²	15	64.6 Å²	64.6	6%	0.057	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122	166.3	-160.3	179.1	-47.7	121.8	-9.4	108.7	L59 Q61 M95 E96 M114 M116	L59-R66 HydrophobicContact CD1-CG 3.98Å; L59-R66 HydrophobicContact CG-CG 4.35Å; Q61-R66 HydrophobicContact CB-CB 4.48Å; Q61-R66 HydrophobicContact CB-CG 4.1Å; Q61-R66 HydrophobicContact CG-CB 4.39Å; Q61-R66 HydrophobicContact CG-CG 4.49Å; Q61-R66 VanDerWaalsContact OE1-NH2 3.11Å; R66-M95 VanDerWaalsContact NH1-CE 3.31Å; R66-E96 WeakPolarHBondContact CB-OE1 3.38Å; R66-E96 VanDerWaalsContact CD-OE1 3.23Å; R66-E96 WeakPolarHBondContact CD-OE1 3.3Å; R66-E96 IonicContact CZ-OE1 3.04Å; R66-E96 IonicContact CZ-OE2 3.93Å; R66-E96 IonicContact NE-OE1 3.34Å; R66-E96 VanDerWaalsContact NH1-CD 3.26Å; R66-E96 IonicContact NH1-OE1 3.13Å; R66-E96 PolarHBondContact NH1-OE1 3.36Å; R66-E96 IonicContact NH1-OE2 3.13Å; R66-E96 PolarHBondContact NH1-OE2 2.94Å; R66-M114 PolarHBondContact N-O 2.86Å; R66-M114 PolarHBondContact O-N 3.3Å; R66-M116 HydrophobicContact CB-CG 3.95Å; R66-M116 HydrophobicContact CB-SD 4.24Å
67	R	92.9	Very high	87.5	Confident	88 Å²	88	68.2 Å²	68.2	33%	0.332	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120	-168.6	-58.6	178.7	68.2	-156.4	-1.3	109.9	L59 V60 Q65 E111 M112 R113	L59-R67 CarbonylContact C-O 3.58Å; L59-R67 WeakPolarHBondContact CA-O 3.44Å; V60-R67 PolarHBondContact N-O 3.26Å; V60-R67 PolarHBondContact O-N 3.38Å; Q65-R67 HydrophobicContact CB-CG 4.43Å; R67-E111 IonicContact CZ-OE1 3.46Å; R67-E111 IonicContact NE-OE1 3.94Å; R67-E111 PolarHBondContact NE-OE1 3.43Å; R67-E111 IonicContact NH2-OE1 3.3Å; R67-E111 PolarHBondContact NH2-OE1 3.18Å; R67-E111 IonicContact NH2-OE2 2.66Å; R67-E111 PolarHBondContact NH2-OE2 3.02Å; R67-M112 CarbonylContact C-O 3.58Å; R67-M112 WeakPolarHBondContact CA-O 3.38Å; R67-R113 HydrophobicContact CG-CG 4.48Å
68	Y	93.3	Very high	87.5	Confident	1 Å²	1	71.1 Å²	71.1	0%	0.004	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120	171.9	170.9	-96.6	0	0	0	108.4	F51 Y57 P58 V100 E104 I109 E111 M112	F51-Y68 AromaticContact CE1-CD2 3.95Å; F51-Y68 HydrophobicContact CE1-CD2 3.95Å; F51-Y68 AromaticContact CE1-CE2 3.71Å; F51-Y68 HydrophobicContact CE1-CE2 3.71Å; F51-Y68 HydrophobicContact CZ-CD2 4.48Å; F51-Y68 AromaticContact CZ-CE2 3.86Å; F51-Y68 HydrophobicContact CZ-CE2 3.86Å; Y57-Y68 AromaticContact CD1-CD1 3.94Å; Y57-Y68 HydrophobicContact CD1-CD1 3.94Å; Y57-Y68 AromaticContact CD1-CE1 3.52Å; Y57-Y68 HydrophobicContact CD1-CE1 3.52Å; Y57-Y68 HydrophobicContact CD1-CE2 4.19Å; Y57-Y68 HydrophobicContact CD1-CG 4.45Å; Y57-Y68 AromaticContact CD1-CZ 3.67Å; Y57-Y68 HydrophobicContact CE1-CD1 4.48Å; Y57-Y68 AromaticContact CE1-CE1 3.85Å; Y57-Y68 HydrophobicContact CE1-CE1 3.85Å; Y57-Y68 HydrophobicContact CG-CD2 4.5Å; Y57-Y68 HydrophobicContact CG-CE1 4.02Å; Y57-Y68 AromaticContact CG-CE2 3.91Å; Y57-Y68 HydrophobicContact CG-CE2 3.91Å; Y57-Y68 AromaticContact CG-CZ 3.64Å; P58-Y68 WeakPolarHBondContact O-CA 3.34Å; Y68-V100 HydrophobicContact CD1-CG2 3.87Å; Y68-V100 HydrophobicContact CD2-CG2 4.4Å; Y68-V100 HydrophobicContact CE1-CG1 3.79Å; Y68-V100 HydrophobicContact CE1-CG2 3.85Å; Y68-V100 HydrophobicContact CE2-CG1 4.47Å; Y68-V100 HydrophobicContact CE2-CG2 4.38Å; Y68-V100 HydrophobicContact CG-CG2 4.15Å; Y68-E104 PolarHBondContact OH-OE1 3.5Å; Y68-I109 HydrophobicContact CD1-CG2 4.32Å; Y68-I109 HydrophobicContact CE1-CG2 4.38Å; Y68-E111 CarbonylContact O-C 3.55Å; Y68-E111 VanDerWaalsContact O-CA 3.31Å; Y68-E111 WeakPolarHBondContact O-CA 3.36Å; Y68-M112 HydrophobicContact CD1-CB 4.33Å; Y68-M112 PolarHBondContact N-O 3.16Å; Y68-M112 PolarHBondContact O-N 3.47Å
69	G	90.2	Very high	87.4	Confident	7 Å²	7	70.5 Å²	70.5	7%	0.072	37%	0.37	C	S	.	.			trans	96	175.5	-173.1	0	0	0	0	0	114.1	P58	P58-G69 PolarHBondContact O-N 3.19Å
70	P	89.1	Confident	87.1	Confident	54 Å²	54	76.5 Å²	76.5	35%	0.351	40%	0.397	S	S	.	.			cis	-72.6	165.6	9.1	29.9	-36.9	0	0	0	115.1	P58 K72 Y110	P58-P70 WeakPolarHBondContact CD-O 3.35Å; P58-P70 WeakPolarHBondContact CG-O 3.39Å; P70-K72 PolarHBondContact O-N 3.37Å; P70-Y110 WeakPolarHBondContact CA-O 3.47Å; P70-Y110 HydrophobicContact CB-CD2 4.43Å; P70-Y110 HydrophobicContact CB-CE1 4.33Å; P70-Y110 HydrophobicContact CB-CE2 3.84Å
71	P	88.3	Confident	86.7	Confident	5 Å²	5	79.6 Å²	79.6	3%	0.032	41%	0.406	C	S	.	.			trans	-64.4	133.5	178	-13.1	27.9	0	0	0	110.2	Y57 D73 W74 Y110	Y57-P71 HydrophobicContact CE1-CB 3.96Å; Y57-P71 HydrophobicContact CE1-CG 3.68Å; Y57-P71 HydrophobicContact CE2-CB 4.33Å; P71-D73 WeakPolarHBondContact CB-OD1 3.42Å; P71-D73 PolarHBondContact O-N 3.19Å; P71-D73 VanDerWaalsContact O-N 3.11Å; P71-W74 HydrophobicContact CB-CB 4.3Å; P71-W74 HydrophobicContact CG-CB 4.36Å; P71-W74 VanDerWaalsContact O-CB 3.31Å; P71-W74 WeakPolarHBondContact O-CB 3.43Å; P71-W74 PolarHBondContact O-N 3.21Å; P71-Y110 WeakPolarHBondContact CD-O 3.4Å
72	K	84.7	Confident	86.6	Confident	163 Å²	163	75 Å²	75	71%	0.709	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.1	-179.5	-66.7	175.3	-177.6	152.3	0	113.4	G56 P70	G56-K72 VanDerWaalsContact O-CD 3.27Å; G56-K72 WeakPolarHBondContact O-CD 3.49Å; G56-K72 WeakPolarHBondContact O-CE 3.32Å; G56-K72 PolarHBondContact O-NZ 3.29Å; P70-K72 PolarHBondContact O-N 3.37Å
73	D	85.6	Confident	86.9	Confident	100 Å²	100	70.3 Å²	70.3	54%	0.535	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-7.6	176.5	68.9	-62.7	0	0	0	114.1	P71 K75 K108	P71-D73 WeakPolarHBondContact CB-OD1 3.42Å; P71-D73 PolarHBondContact O-N 3.19Å; P71-D73 VanDerWaalsContact O-N 3.11Å; D73-K75 PolarHBondContact O-N 3.05Å; D73-K108 IonicContact OD1-NZ 2.9Å; D73-K108 PolarHBondContact OD1-NZ 2.93Å; D73-K108 IonicContact OD2-NZ 3.8Å; D73-K108 PolarHBondContact OD2-NZ 3.32Å
74	W	85.5	Confident	87.5	Confident	85 Å²	85	66 Å²	66	32%	0.322	34%	0.344	S	S	.	.			trans	-74.2	116.6	-172	-168.2	-92.2	0	0	0	112.9	P71 G76 P77 Y110 C131	P71-W74 HydrophobicContact CB-CB 4.3Å; P71-W74 HydrophobicContact CG-CB 4.36Å; P71-W74 VanDerWaalsContact O-CB 3.31Å; P71-W74 WeakPolarHBondContact O-CB 3.43Å; P71-W74 PolarHBondContact O-N 3.21Å; W74-G76 VanDerWaalsContact CD1-O 3.26Å; W74-G76 PolarHBondContact NE1-O 3.25Å; W74-G76 VanDerWaalsContact NE1-O 3.09Å; W74-P77 PolarHBondContact NE1-O 3.4Å; W74-Y110 AromaticContact CD1-CE2 3.62Å; W74-Y110 AromaticContact CD2-CD2 3.98Å; W74-Y110 HydrophobicContact CD2-CD2 3.98Å; W74-Y110 HydrophobicContact CD2-CE2 4.04Å; W74-Y110 AromaticContact CE2-CD2 3.95Å; W74-Y110 AromaticContact CE2-CE2 3.9Å; W74-Y110 HydrophobicContact CE3-CD2 4.48Å; W74-Y110 HydrophobicContact CG-CD2 4.2Å; W74-Y110 AromaticContact CG-CE2 3.85Å; W74-Y110 HydrophobicContact CG-CE2 3.85Å; W74-Y110 HydrophobicContact CZ2-CD2 4.41Å; W74-Y110 AromaticContact NE1-CE2 3.59Å; W74-C131 HydrophobicContact CH2-CB 3.79Å; W74-C131 HydrophobicContact CZ3-CB 3.92Å; W74-C131 WeakPolarHBondContact CZ3-SG 3.46Å
75	K	82.9	Confident	87.9	Confident	207 Å²	207	65 Å²	65	90%	0.9	33%	0.333	S	S	*	.			trans	-111.1	2.9	178.4	-63.3	179.9	-177.8	178.3	0	114.2	D73	D73-K75 PolarHBondContact O-N 3.05Å
76	G	83.2	Confident	88.1	Confident	40 Å²	40	64.9 Å²	64.9	41%	0.412	33%	0.331	S	S	.	.	S	Bend	trans	-86.9	173.3	177.9	0	0	0	0	0	113	W74	W74-G76 VanDerWaalsContact CD1-O 3.26Å; W74-G76 PolarHBondContact NE1-O 3.25Å; W74-G76 VanDerWaalsContact NE1-O 3.09Å
77	P	87.4	Confident	88.2	Confident	106 Å²	106	64.1 Å²	64.1	69%	0.688	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-59.1	164.1	161.6	29.6	-35.9	0	0	0	110.7	W74	W74-P77 PolarHBondContact NE1-O 3.4Å
78	P	86.7	Confident	88.2	Confident	90 Å²	90	60.2 Å²	60.2	58%	0.584	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-59.9	151.7	168.1	27.5	-35.1	0	0	0	110.9
79	P	88.5	Confident	88.1	Confident	28 Å²	28	68.3 Å²	68.3	18%	0.182	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-56.7	151.4	176.9	-27	36.5	0	0	0	113.4	C83 Y110 T129 Y130	P79-C83 HydrophobicContact CB-CB 3.75Å; P79-Y110 VanDerWaalsContact CD-CD1 3.42Å; P79-Y110 VanDerWaalsContact CD-CE1 3.48Å; P79-Y110 HydrophobicContact CG-CD1 3.73Å; P79-Y110 HydrophobicContact CG-CD2 3.89Å; P79-Y110 HydrophobicContact CG-CE1 4.31Å; P79-Y110 HydrophobicContact CG-CE2 4.46Å; P79-Y110 HydrophobicContact CG-CG 3.48Å; P79-Y110 VanDerWaalsContact CG-CG 3.48Å; P79-T129 HydrophobicContact CB-CG2 3.99Å; P79-T129 HydrophobicContact CG-CG2 3.95Å; P79-Y130 WeakPolarHBondContact CB-O 3.43Å; P79-Y130 VanDerWaalsContact CG-O 3.31Å; P79-Y130 WeakPolarHBondContact CG-O 3.49Å
80	Q	83.8	Confident	88.2	Confident	166 Å²	166	68.4 Å²	68.4	78%	0.776	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-75.1	162.6	-176.8	-62.5	-177	0.6	0	0	112.5	G82 C83	Q80-G82 PolarHBondContact O-N 2.82Å; Q80-C83 WeakPolarHBondContact O-CB 3.31Å; Q80-C83 PolarHBondContact O-N 3.47Å; Q80-C83 VanDerWaalsContact O-N 3.11Å; Q80-C83 PolarHBondContact O-SG 3.47Å; Q80-C83 VanDerWaalsContact O-SG 3.34Å
81	K	81.7	Confident	88.3	Confident	127 Å²	127	66.2 Å²	66.2	55%	0.552	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	129.8	176	-68.2	-173.4	178.8	-177.3	0	110.4	C163 E214	K81-C163 PolarHBondContact NZ-SG 3.01Å; K81-E214 PolarHBondContact NZ-O 3.26Å
82	G	84.8	Confident	88.4	Confident	14 Å²	14	72.3 Å²	72.3	14%	0.144	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	1.7	-175.4	0	0	0	0	0	115.9	Q80 E84	Q80-G82 PolarHBondContact O-N 2.82Å; G82-E84 VanDerWaalsContact C-N 3.26Å
83	C	91.1	Very high	88.6	Confident	6 Å²	6	67.7 Å²	67.7	4%	0.041	34%	0.341	C	S	.	.			trans	-80.6	-1	165.6	-62.6	0	0	0	0	113.7	P79 Q80 Y130 D132 K133	P79-C83 HydrophobicContact CB-CB 3.75Å; Q80-C83 WeakPolarHBondContact O-CB 3.31Å; Q80-C83 PolarHBondContact O-N 3.47Å; Q80-C83 VanDerWaalsContact O-N 3.11Å; Q80-C83 PolarHBondContact O-SG 3.47Å; Q80-C83 VanDerWaalsContact O-SG 3.34Å; C83-Y130 WeakPolarHBondContact CB-O 3.5Å; C83-Y130 PolarHBondContact O-N 3.08Å; C83-D132 VanDerWaalsContact SG-C 3.58Å; C83-K133 PolarHBondContact SG-N 3.01Å
84	E	92.2	Very high	88.9	Confident	13 Å²	13	62.9 Å²	62.9	6%	0.061	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141	-179.7	-170.5	-178.4	74.2	0	0	112.7	G82 R113 F127 V128 T129 S159	G82-E84 VanDerWaalsContact C-N 3.26Å; E84-R113 IonicContact OE1-NH2 3.71Å; E84-R113 PolarHBondContact OE1-NH2 3.15Å; E84-R113 IonicContact OE2-CZ 3.34Å; E84-R113 IonicContact OE2-NE 3.21Å; E84-R113 PolarHBondContact OE2-NE 3.16Å; E84-R113 IonicContact OE2-NH2 3.87Å; E84-R113 PolarHBondContact OE2-NH2 2.6Å; E84-F127 HydrophobicContact CG-CB 4.06Å; E84-F127 HydrophobicContact CG-CD1 4.39Å; E84-F127 VanDerWaalsContact OE1-CD1 3.29Å; E84-F127 WeakPolarHBondContact OE1-CD1 3.39Å; E84-F127 WeakPolarHBondContact OE2-CB 3.47Å; E84-V128 CarbonylContact C-O 3.55Å; E84-V128 WeakPolarHBondContact CA-O 3.46Å; E84-T129 WeakPolarHBondContact CG-OG1 3.34Å; E84-T129 PolarHBondContact OE2-OG1 2.58Å; E84-S159 WeakPolarHBondContact O-CB 3.32Å; E84-S159 PolarHBondContact O-N 2.78Å; E84-S159 WeakPolarHBondContact OE1-CB 3.33Å; E84-S159 PolarHBondContact OE1-OG 2.79Å
85	V	93.3	Very high	89.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140	169.8	-56	0	0	0	0	111.1	V87 F103 F127 V128 Y130 A136 A139 C140 V156 L157	V85-V87 HydrophobicContact CG2-CG2 4.39Å; V85-F103 HydrophobicContact CG2-CD1 4.36Å; V85-F103 HydrophobicContact CG2-CE1 3.97Å; V85-F127 CarbonylContact O-C 3.54Å; V85-F127 WeakPolarHBondContact O-CA 3.05Å; V85-V128 HydrophobicContact CG2-CB 3.87Å; V85-V128 PolarHBondContact N-O 3.5Å; V85-V128 PolarHBondContact O-N 3.26Å; V85-Y130 HydrophobicContact CG2-CE2 4.16Å; V85-A136 HydrophobicContact CG1-CB 3.91Å; V85-A136 WeakPolarHBondContact CG1-O 3.45Å; V85-A139 HydrophobicContact CG1-CB 4.25Å; V85-A139 HydrophobicContact CG2-CB 4.42Å; V85-C140 WeakPolarHBondContact CG1-SG 3.4Å; V85-V156 HydrophobicContact CB-CG1 4.06Å; V85-V156 HydrophobicContact CG2-CG1 4Å; V85-L157 CarbonylContact C-O 3.49Å; V85-L157 VanDerWaalsContact CA-O 3.29Å; V85-L157 WeakPolarHBondContact CA-O 3.13Å; V85-L157 WeakPolarHBondContact CB-O 3.37Å
86	F	92.7	Very high	89.5	Confident	47 Å²	47	50 Å²	50	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	134.7	168.2	169.6	-94	0	0	0	109.5	Y125 F127 V156 L157	F86-Y125 HydrophobicContact CD2-CD2 4.46Å; F86-Y125 AromaticContact CE2-CD2 3.73Å; F86-Y125 HydrophobicContact CE2-CD2 3.73Å; F86-Y125 AromaticContact CE2-CG 3.98Å; F86-Y125 HydrophobicContact CE2-CG 3.98Å; F86-Y125 HydrophobicContact CZ-CG 4.45Å; F86-F127 HydrophobicContact CB-CD1 4.36Å; F86-F127 HydrophobicContact CB-CE1 4.29Å; F86-F127 HydrophobicContact CD2-CD1 4.35Å; F86-F127 AromaticContact CD2-CE1 3.81Å; F86-F127 HydrophobicContact CD2-CE1 3.81Å; F86-F127 AromaticContact CD2-CZ 3.9Å; F86-F127 HydrophobicContact CD2-CZ 3.9Å; F86-F127 HydrophobicContact CE2-CZ 4.48Å; F86-V156 WeakPolarHBondContact O-CA 3.49Å; F86-L157 HydrophobicContact CD1-CB 4.48Å; F86-L157 PolarHBondContact N-O 3.48Å; F86-L157 PolarHBondContact O-N 2.9Å
87	V	93.5	Very high	89.8	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	107	177.9	-168.1	0	0	0	0	108.5	V85 L90 L99 F103 Y125 A126 V128 I154 G155 V156	V85-V87 HydrophobicContact CG2-CG2 4.39Å; V87-L90 HydrophobicContact CG1-CD2 3.74Å; V87-L90 HydrophobicContact CG1-CG 4.42Å; V87-L99 HydrophobicContact CG1-CD2 4.39Å; V87-F103 HydrophobicContact CB-CZ 4.2Å; V87-F103 HydrophobicContact CG1-CE2 4.18Å; V87-F103 HydrophobicContact CG1-CZ 3.74Å; V87-F103 HydrophobicContact CG2-CE1 3.58Å; V87-F103 HydrophobicContact CG2-CE2 4.18Å; V87-F103 HydrophobicContact CG2-CZ 3.34Å; V87-Y125 CarbonylContact O-C 3.59Å; V87-Y125 WeakPolarHBondContact O-CA 3.3Å; V87-Y125 WeakPolarHBondContact O-CB 3.34Å; V87-A126 PolarHBondContact N-O 3.3Å; V87-A126 PolarHBondContact O-N 3.12Å; V87-V128 HydrophobicContact CG2-CG2 3.92Å; V87-I154 HydrophobicContact CG1-CB 4.34Å; V87-I154 HydrophobicContact CG1-CD1 4.12Å; V87-G155 CarbonylContact C-O 3.51Å; V87-G155 WeakPolarHBondContact CA-O 3.42Å; V87-V156 HydrophobicContact CG1-CG2 4.36Å
88	G	93.5	Very high	90.1	Very high	6 Å²	6	47.8 Å²	47.8	6%	0.062	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	176	179.7	0	0	0	0	0	113.3	L90 G155	G88-L90 PolarHBondContact O-N 2.86Å; G88-G155 PolarHBondContact N-O 2.78Å; G88-G155 PolarHBondContact O-N 3.33Å
89	K	91.6	Very high	90.4	Very high	171 Å²	171	43.5 Å²	43.5	74%	0.743	20%	0.202	S	C	*	.	S	Bend	trans	60.8	26.6	-175.9	-53.9	-178.7	177.7	-178.8	0	113.8	G124	K89-G124 PolarHBondContact N-O 2.85Å
90	L	92	Very high	90.6	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.047	19%	0.193	C	C	.	.			trans	-64.2	135.1	173.4	-59.4	-177	0	0	0	109.8	V87 G88 L99 G124 A126 I154	V87-L90 HydrophobicContact CG1-CD2 3.74Å; V87-L90 HydrophobicContact CG1-CG 4.42Å; G88-L90 PolarHBondContact O-N 2.86Å; L90-L99 HydrophobicContact CD1-CD2 4.2Å; L90-L99 HydrophobicContact CD2-CD1 3.66Å; L90-L99 HydrophobicContact CD2-CD2 4.26Å; L90-G124 PolarHBondContact N-O 3.08Å; L90-A126 HydrophobicContact CD1-CB 3.79Å; L90-I154 HydrophobicContact CD2-CB 4.45Å; L90-I154 HydrophobicContact CD2-CG2 3.74Å
91	P	91.2	Very high	91.1	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.052	17%	0.173	C	C	.	.			trans	-57.1	138.4	162.8	-19.1	30.4	0	0	0	109.7	D93 V94 N122 I148 R152	P91-D93 PolarHBondContact O-N 3.5Å; P91-V94 HydrophobicContact CB-CG2 3.9Å; P91-V94 HydrophobicContact CG-CG2 3.73Å; P91-V94 WeakPolarHBondContact O-CB 3.22Å; P91-V94 PolarHBondContact O-N 3.25Å; P91-N122 PolarHBondContact O-ND2 3.08Å; P91-N122 PolarHBondContact O-OD1 3.47Å; P91-I148 HydrophobicContact CG-CG2 4.19Å; P91-R152 HydrophobicContact CG-CB 3.99Å; P91-R152 HydrophobicContact CG-CG 4.06Å
92	R	90.6	Very high	91.7	Very high	132 Å²	132	31.2 Å²	31.2	50%	0.498	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.2	-173.4	-69.3	-66.7	-166.5	137	6.3	114.4	S121 N122	R92-S121 WeakPolarHBondContact O-CB 3.4Å; R92-N122 WeakPolarHBondContact CD-O 3.37Å; R92-N122 PolarHBondContact NH1-O 2.9Å; R92-N122 PolarHBondContact O-N 2.9Å; R92-N122 PolarHBondContact O-ND2 3.43Å
93	D	88.8	Confident	92.2	Very high	66 Å²	66	30.5 Å²	30.5	35%	0.353	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	10.9	-177.3	75	-45.8	0	0	0	113.8	P91 R149	P91-D93 PolarHBondContact O-N 3.5Å; D93-R149 PolarHBondContact O-NH2 2.81Å; D93-R149 IonicContact OD1-CZ 2.77Å; D93-R149 IonicContact OD1-NH1 3.78Å; D93-R149 PolarHBondContact OD1-NH1 2.97Å; D93-R149 IonicContact OD1-NH2 3.52Å; D93-R149 IonicContact OD2-CZ 3.39Å; D93-R149 IonicContact OD2-NH1 3.81Å; D93-R149 PolarHBondContact OD2-NH1 3.44Å; D93-R149 IonicContact OD2-NH2 2.82Å; D93-R149 PolarHBondContact OD2-NH2 3.13Å
94	V	91.1	Very high	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.			trans	-74.9	139	167.7	157.8	0	0	0	0	110.2	P91 E98 L99 N122 I148	P91-V94 HydrophobicContact CB-CG2 3.9Å; P91-V94 HydrophobicContact CG-CG2 3.73Å; P91-V94 WeakPolarHBondContact O-CB 3.22Å; P91-V94 PolarHBondContact O-N 3.25Å; V94-E98 WeakPolarHBondContact CA-OE1 3.48Å; V94-E98 HydrophobicContact CG1-CB 4.36Å; V94-L99 HydrophobicContact CG1-CD1 3.87Å; V94-N122 PolarHBondContact O-ND2 3.12Å; V94-I148 HydrophobicContact CG2-CG1 4.41Å
95	M	90.7	Very high	92.5	Very high	20 Å²	20	41.4 Å²	41.4	10%	0.099	19%	0.185	C	C	.	.			trans	-122.1	170.6	-175.8	-62	-70	-73.9	0	0	111.5	L48 R66 Y97 E98 L99	L48-M95 HydrophobicContact CD1-CE 4.15Å; L48-M95 HydrophobicContact CD2-CE 3.72Å; L48-M95 HydrophobicContact CG-CE 4.38Å; R66-M95 VanDerWaalsContact NH1-CE 3.31Å; M95-Y97 VanDerWaalsContact C-N 3.26Å; M95-Y97 HydrophobicContact CB-CD1 3.72Å; M95-Y97 HydrophobicContact CB-CE1 3.39Å; M95-Y97 HydrophobicContact CG-CE1 3.89Å; M95-Y97 PolarHBondContact O-N 2.95Å; M95-E98 PolarHBondContact N-OE1 2.83Å; M95-E98 PolarHBondContact O-N 2.88Å; M95-E98 VanDerWaalsContact O-N 3.08Å; M95-L99 PolarHBondContact O-N 3.13Å
96	E	91.9	Very high	92.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-35.2	-174.5	-67	74	-171.2	0	0	113	L48 F51 L59 R66 E98 L99 V100 M112 M114	L48-E96 HydrophobicContact CD1-CB 4.25Å; L48-E96 VanDerWaalsContact CD1-OE2 3.31Å; L48-E96 WeakPolarHBondContact CD1-OE2 3.35Å; F51-E96 HydrophobicContact CE1-CB 4.23Å; L59-E96 HydrophobicContact CD1-CG 4.04Å; R66-E96 WeakPolarHBondContact CB-OE1 3.38Å; R66-E96 VanDerWaalsContact CD-OE1 3.23Å; R66-E96 WeakPolarHBondContact CD-OE1 3.3Å; R66-E96 IonicContact CZ-OE1 3.04Å; R66-E96 IonicContact CZ-OE2 3.93Å; R66-E96 IonicContact NE-OE1 3.34Å; R66-E96 VanDerWaalsContact NH1-CD 3.26Å; R66-E96 IonicContact NH1-OE1 3.13Å; R66-E96 PolarHBondContact NH1-OE1 3.36Å; R66-E96 IonicContact NH1-OE2 3.13Å; R66-E96 PolarHBondContact NH1-OE2 2.94Å; E96-E98 PolarHBondContact O-N 2.98Å; E96-L99 PolarHBondContact O-N 2.94Å; E96-L99 VanDerWaalsContact O-N 3.17Å; E96-V100 WeakPolarHBondContact O-CB 3.23Å; E96-V100 WeakPolarHBondContact O-CG2 3.37Å; E96-V100 PolarHBondContact O-N 3.39Å; E96-M112 HydrophobicContact CB-CE 3.78Å; E96-M112 HydrophobicContact CG-CE 3.58Å; E96-M114 HydrophobicContact CG-CE 4.34Å; E96-M114 WeakPolarHBondContact OE1-CB 3.43Å
97	Y	89.4	Confident	92.6	Very high	61 Å²	61	40.3 Å²	40.3	24%	0.239	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-17.9	179	67.3	-104	0	0	0	113.9	L47 L48 M95 P101	L47-Y97 HydrophobicContact CB-CE1 4.29Å; L48-Y97 HydrophobicContact CD1-CD1 4.33Å; M95-Y97 VanDerWaalsContact C-N 3.26Å; M95-Y97 HydrophobicContact CB-CD1 3.72Å; M95-Y97 HydrophobicContact CB-CE1 3.39Å; M95-Y97 HydrophobicContact CG-CE1 3.89Å; M95-Y97 PolarHBondContact O-N 2.95Å; Y97-P101 VanDerWaalsContact O-CD 3.3Å; Y97-P101 WeakPolarHBondContact O-CD 3.39Å; Y97-P101 WeakPolarHBondContact O-CG 3.47Å
98	E	92.2	Very high	92.5	Very high	38 Å²	38	43.9 Å²	43.9	18%	0.178	20%	0.201	C	C	.	.	H	α-helix	trans	-89.9	-37.9	171.5	-64.3	173.9	-96.1	0	0	111.5	V94 M95 E96 I148 R149	V94-E98 WeakPolarHBondContact CA-OE1 3.48Å; V94-E98 HydrophobicContact CG1-CB 4.36Å; M95-E98 PolarHBondContact N-OE1 2.83Å; M95-E98 PolarHBondContact O-N 2.88Å; M95-E98 VanDerWaalsContact O-N 3.08Å; E96-E98 PolarHBondContact O-N 2.98Å; E98-I148 HydrophobicContact CB-CD1 4.36Å; E98-R149 VanDerWaalsContact CD-NH2 3.33Å; E98-R149 IonicContact OE1-CZ 2.68Å; E98-R149 IonicContact OE1-NE 3.46Å; E98-R149 IonicContact OE1-NH2 3.34Å; E98-R149 PolarHBondContact OE1-NH2 2.76Å; E98-R149 IonicContact OE2-CZ 3.09Å; E98-R149 IonicContact OE2-NE 3.7Å; E98-R149 PolarHBondContact OE2-NE 3.36Å; E98-R149 IonicContact OE2-NH2 3.72Å; E98-R149 PolarHBondContact OE2-NH2 2.74Å; E98-R149 VanDerWaalsContact OE2-NH2 3.13Å
99	L	93.3	Very high	92.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-80.2	-46.2	-172.7	-136.3	76.1	0	0	0	112.3	V87 L90 V94 M95 E96 V102 F103 M112 A126 I148	V87-L99 HydrophobicContact CG1-CD2 4.39Å; L90-L99 HydrophobicContact CD1-CD2 4.2Å; L90-L99 HydrophobicContact CD2-CD1 3.66Å; L90-L99 HydrophobicContact CD2-CD2 4.26Å; V94-L99 HydrophobicContact CG1-CD1 3.87Å; M95-L99 PolarHBondContact O-N 3.13Å; E96-L99 PolarHBondContact O-N 2.94Å; E96-L99 VanDerWaalsContact O-N 3.17Å; L99-V102 WeakPolarHBondContact O-CB 3.38Å; L99-V102 PolarHBondContact O-N 3.49Å; L99-F103 HydrophobicContact CD2-CE2 4.3Å; L99-F103 HydrophobicContact CG-CD2 4.09Å; L99-F103 HydrophobicContact CG-CE2 3.93Å; L99-F103 WeakPolarHBondContact O-CD2 3.29Å; L99-F103 PolarHBondContact O-N 2.87Å; L99-F103 VanDerWaalsContact O-N 3.16Å; L99-M112 HydrophobicContact CB-CE 3.96Å; L99-M112 HydrophobicContact CB-SD 4.03Å; L99-M112 HydrophobicContact CD2-CE 4.32Å; L99-M112 HydrophobicContact CD2-SD 3.78Å; L99-M112 HydrophobicContact CG-SD 4.35Å; L99-A126 HydrophobicContact CD2-CB 4.22Å; L99-I148 HydrophobicContact CD1-CD1 4.35Å; L99-I148 HydrophobicContact CD1-CG1 4.46Å
100	V	94.2	Very high	92.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.2	-48.2	-176.1	170.2	0	0	0	0	112.3	F51 Y68 E96 V102 F103 E104 I109 M112	F51-V100 HydrophobicContact CE1-CB 4.49Å; F51-V100 HydrophobicContact CE1-CG2 4.32Å; F51-V100 HydrophobicContact CE2-CB 4.42Å; F51-V100 HydrophobicContact CE2-CG1 4.5Å; F51-V100 HydrophobicContact CZ-CB 3.67Å; F51-V100 HydrophobicContact CZ-CG1 3.82Å; F51-V100 HydrophobicContact CZ-CG2 3.96Å; Y68-V100 HydrophobicContact CD1-CG2 3.87Å; Y68-V100 HydrophobicContact CD2-CG2 4.4Å; Y68-V100 HydrophobicContact CE1-CG1 3.79Å; Y68-V100 HydrophobicContact CE1-CG2 3.85Å; Y68-V100 HydrophobicContact CE2-CG1 4.47Å; Y68-V100 HydrophobicContact CE2-CG2 4.38Å; Y68-V100 HydrophobicContact CG-CG2 4.15Å; E96-V100 WeakPolarHBondContact O-CB 3.23Å; E96-V100 WeakPolarHBondContact O-CG2 3.37Å; E96-V100 PolarHBondContact O-N 3.39Å; V100-V102 PolarHBondContact O-N 3.07Å; V100-F103 PolarHBondContact O-N 3.09Å; V100-F103 VanDerWaalsContact O-N 3.11Å; V100-E104 HydrophobicContact CG1-CG 3.74Å; V100-E104 WeakPolarHBondContact CG1-OE1 3.21Å; V100-E104 WeakPolarHBondContact O-CB 3.43Å; V100-E104 WeakPolarHBondContact O-CG 3.32Å; V100-E104 PolarHBondContact O-N 2.73Å; V100-I109 HydrophobicContact CG1-CD1 4.2Å; V100-M112 HydrophobicContact CG2-CE 3.53Å; V100-M112 HydrophobicContact CG2-SD 3.99Å
101	P	93.4	Very high	92.9	Very high	55 Å²	55	37.4 Å²	37.4	36%	0.357	17%	0.17	S	C	.	.	H	α-helix	trans	-68.9	-2.7	179.5	-20.3	35.2	0	0	0	115.2	Y97 R105	Y97-P101 VanDerWaalsContact O-CD 3.3Å; Y97-P101 WeakPolarHBondContact O-CD 3.39Å; Y97-P101 WeakPolarHBondContact O-CG 3.47Å; P101-R105 WeakPolarHBondContact O-CG 3.29Å; P101-R105 PolarHBondContact O-NE 2.96Å
102	V	94.4	Very high	93	Very high	8 Å²	8	37 Å²	37	5%	0.048	17%	0.168	C	C	.	.	H	α-helix	trans	-93.5	-47	168.9	176.7	0	0	0	0	110.3	L99 V100 R105 L143 F146 I148	L99-V102 WeakPolarHBondContact O-CB 3.38Å; L99-V102 PolarHBondContact O-N 3.49Å; V100-V102 PolarHBondContact O-N 3.07Å; V102-R105 WeakPolarHBondContact O-CB 3.36Å; V102-R105 WeakPolarHBondContact O-CG 3.36Å; V102-R105 PolarHBondContact O-N 3.19Å; V102-L143 HydrophobicContact CG1-CD1 4.24Å; V102-L143 HydrophobicContact CG1-CD2 3.83Å; V102-F146 HydrophobicContact CB-CE1 4.38Å; V102-F146 HydrophobicContact CG1-CD1 3.8Å; V102-F146 HydrophobicContact CG1-CE1 3.66Å; V102-F146 HydrophobicContact CG1-CE2 4.43Å; V102-F146 HydrophobicContact CG1-CG 4.26Å; V102-F146 HydrophobicContact CG1-CZ 4Å; V102-F146 HydrophobicContact CG2-CE1 3.74Å; V102-F146 HydrophobicContact CG2-CZ 4.08Å; V102-I148 HydrophobicContact CG2-CD1 3.93Å
103	F	95.3	Very high	93.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-74.4	-33.4	-178	-77.5	-100.5	0	0	0	112.9	V85 V87 L99 V100 R105 I106 I109 V128 Y130 L143 I154 V156	V85-F103 HydrophobicContact CG2-CD1 4.36Å; V85-F103 HydrophobicContact CG2-CE1 3.97Å; V87-F103 HydrophobicContact CB-CZ 4.2Å; V87-F103 HydrophobicContact CG1-CE2 4.18Å; V87-F103 HydrophobicContact CG1-CZ 3.74Å; V87-F103 HydrophobicContact CG2-CE1 3.58Å; V87-F103 HydrophobicContact CG2-CE2 4.18Å; V87-F103 HydrophobicContact CG2-CZ 3.34Å; L99-F103 HydrophobicContact CD2-CE2 4.3Å; L99-F103 HydrophobicContact CG-CD2 4.09Å; L99-F103 HydrophobicContact CG-CE2 3.93Å; L99-F103 WeakPolarHBondContact O-CD2 3.29Å; L99-F103 PolarHBondContact O-N 2.87Å; L99-F103 VanDerWaalsContact O-N 3.16Å; V100-F103 PolarHBondContact O-N 3.09Å; V100-F103 VanDerWaalsContact O-N 3.11Å; F103-R105 PolarHBondContact O-N 3.01Å; F103-R105 VanDerWaalsContact O-N 3.1Å; F103-I106 PolarHBondContact O-N 3.15Å; F103-I106 VanDerWaalsContact O-N 3.09Å; F103-I109 HydrophobicContact CB-CD1 3.74Å; F103-I109 HydrophobicContact CB-CG1 4.44Å; F103-V128 HydrophobicContact CB-CG1 4.23Å; F103-V128 HydrophobicContact CD1-CB 4.01Å; F103-V128 HydrophobicContact CD1-CG1 3.98Å; F103-V128 HydrophobicContact CD1-CG2 3.76Å; F103-V128 HydrophobicContact CE1-CB 4.46Å; F103-V128 HydrophobicContact CE1-CG2 4.08Å; F103-V128 HydrophobicContact CG-CG1 4.34Å; F103-V128 HydrophobicContact CG-CG2 4.03Å; F103-Y130 HydrophobicContact CD1-CE2 4.46Å; F103-Y130 WeakPolarHBondContact CD1-OH 3.42Å; F103-Y130 PolarHBondContact O-OH 2.94Å; F103-L143 HydrophobicContact CD1-CD1 3.72Å; F103-L143 HydrophobicContact CD2-CD1 4.19Å; F103-L143 HydrophobicContact CE1-CD1 3.81Å; F103-L143 HydrophobicContact CE2-CD1 4.29Å; F103-L143 HydrophobicContact CG-CD1 3.9Å; F103-L143 HydrophobicContact CZ-CD1 4.08Å; F103-I154 HydrophobicContact CE2-CD1 3.8Å; F103-I154 HydrophobicContact CZ-CD1 3.94Å; F103-V156 HydrophobicContact CE1-CG1 4.09Å; F103-V156 HydrophobicContact CE1-CG2 4.18Å; F103-V156 HydrophobicContact CZ-CG1 4.46Å; F103-V156 HydrophobicContact CZ-CG2 3.75Å
104	E	94.4	Very high	93.4	Very high	78 Å²	78	30.3 Å²	30.3	36%	0.364	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.7	175.6	-75.1	-179.1	162.5	0	0	113.7	Y68 V100 I106 G107 I109	Y68-E104 PolarHBondContact OH-OE1 3.5Å; V100-E104 HydrophobicContact CG1-CG 3.74Å; V100-E104 WeakPolarHBondContact CG1-OE1 3.21Å; V100-E104 WeakPolarHBondContact O-CB 3.43Å; V100-E104 WeakPolarHBondContact O-CG 3.32Å; V100-E104 PolarHBondContact O-N 2.73Å; E104-I106 PolarHBondContact O-N 2.95Å; E104-G107 WeakPolarHBondContact CA-O 3.45Å; E104-G107 PolarHBondContact O-N 2.99Å; E104-I109 HydrophobicContact CG-CD1 3.72Å; E104-I109 HydrophobicContact CG-CG1 3.91Å
105	R	94.3	Very high	93.4	Very high	170 Å²	170	30.8 Å²	30.8	64%	0.642	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.8	175.1	-57	177.4	-170.8	-169.5	0.8	112.8	P101 V102 F103	P101-R105 WeakPolarHBondContact O-CG 3.29Å; P101-R105 PolarHBondContact O-NE 2.96Å; V102-R105 WeakPolarHBondContact O-CB 3.36Å; V102-R105 WeakPolarHBondContact O-CG 3.36Å; V102-R105 PolarHBondContact O-N 3.19Å; F103-R105 PolarHBondContact O-N 3.01Å; F103-R105 VanDerWaalsContact O-N 3.1Å
106	I	95.4	Very high	93.4	Very high	8 Å²	8	30 Å²	30	4%	0.041	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-25.5	-177.9	-51.9	-61.8	0	0	0	111.8	F103 E104 Y130 Q135 R138 A139 E142 L143	F103-I106 PolarHBondContact O-N 3.15Å; F103-I106 VanDerWaalsContact O-N 3.09Å; E104-I106 PolarHBondContact O-N 2.95Å; I106-Y130 HydrophobicContact CB-CE1 4.17Å; I106-Q135 VanDerWaalsContact CG2-O 3.32Å; I106-Q135 WeakPolarHBondContact CG2-O 3.36Å; I106-R138 HydrophobicContact CG2-CB 3.64Å; I106-R138 PolarHBondContact O-NH2 2.79Å; I106-A139 HydrophobicContact CG1-CB 4.37Å; I106-A139 HydrophobicContact CG2-CB 4.14Å; I106-E142 HydrophobicContact CD1-CB 3.93Å; I106-E142 HydrophobicContact CD1-CG 4.5Å; I106-E142 WeakPolarHBondContact CD1-OE2 3.34Å; I106-L143 HydrophobicContact CD1-CD1 4.38Å; I106-L143 HydrophobicContact CD1-CD2 4.32Å; I106-L143 HydrophobicContact CD1-CG 4.11Å; I106-L143 HydrophobicContact CG1-CD1 3.69Å; I106-L143 HydrophobicContact CG1-CD2 4.46Å; I106-L143 HydrophobicContact CG1-CG 3.98Å
107	G	93	Very high	93.1	Very high	16 Å²	16	32.1 Å²	32.1	17%	0.165	15%	0.147	C	C	.	.	S	Bend	trans	163.3	173.9	-176.2	0	0	0	0	0	113.2	E104 I109	E104-G107 WeakPolarHBondContact CA-O 3.45Å; E104-G107 PolarHBondContact O-N 2.99Å; G107-I109 PolarHBondContact O-N 2.87Å
108	K	92.8	Very high	92.7	Very high	74 Å²	74	36.2 Å²	36.2	32%	0.322	17%	0.167	S	C	.	.			trans	-67	119.3	178.8	-174.1	170.7	179.7	169.4	0	109.7	Y57 D73 Y110 C131	Y57-K108 WeakPolarHBondContact OH-CE 3.2Å; D73-K108 IonicContact OD1-NZ 2.9Å; D73-K108 PolarHBondContact OD1-NZ 2.93Å; D73-K108 IonicContact OD2-NZ 3.8Å; D73-K108 PolarHBondContact OD2-NZ 3.32Å; K108-Y110 PolarHBondContact O-N 2.88Å; K108-C131 PolarHBondContact O-N 3.47Å; K108-C131 VanDerWaalsContact O-N 3.14Å; K108-C131 PolarHBondContact O-SG 3.26Å; K108-C131 VanDerWaalsContact O-SG 3.39Å
109	I	94.9	Very high	92.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.8	169.8	-61.9	-179.6	0	0	0	107.9	Y57 Y68 V100 F103 E104 G107 M112 V128 Y130	Y57-I109 PolarHBondContact OH-O 3.33Å; Y68-I109 HydrophobicContact CD1-CG2 4.32Å; Y68-I109 HydrophobicContact CE1-CG2 4.38Å; V100-I109 HydrophobicContact CG1-CD1 4.2Å; F103-I109 HydrophobicContact CB-CD1 3.74Å; F103-I109 HydrophobicContact CB-CG1 4.44Å; E104-I109 HydrophobicContact CG-CD1 3.72Å; E104-I109 HydrophobicContact CG-CG1 3.91Å; G107-I109 PolarHBondContact O-N 2.87Å; I109-M112 HydrophobicContact CG2-CB 4.33Å; I109-V128 HydrophobicContact CD1-CG1 4.07Å; I109-V128 HydrophobicContact CG1-CG1 4.02Å; I109-V128 HydrophobicContact CG2-CG1 4.2Å; I109-Y130 HydrophobicContact CG1-CE1 4.37Å
110	Y	94.6	Very high	91.5	Very high	31 Å²	31	41.3 Å²	41.3	12%	0.122	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-48.6	166.3	175.4	-96.6	0	0	0	110	P70 P71 W74 P79 K108 T129	P70-Y110 WeakPolarHBondContact CA-O 3.47Å; P70-Y110 HydrophobicContact CB-CD2 4.43Å; P70-Y110 HydrophobicContact CB-CE1 4.33Å; P70-Y110 HydrophobicContact CB-CE2 3.84Å; P71-Y110 WeakPolarHBondContact CD-O 3.4Å; W74-Y110 AromaticContact CD1-CE2 3.62Å; W74-Y110 AromaticContact CD2-CD2 3.98Å; W74-Y110 HydrophobicContact CD2-CD2 3.98Å; W74-Y110 HydrophobicContact CD2-CE2 4.04Å; W74-Y110 AromaticContact CE2-CD2 3.95Å; W74-Y110 AromaticContact CE2-CE2 3.9Å; W74-Y110 HydrophobicContact CE3-CD2 4.48Å; W74-Y110 HydrophobicContact CG-CD2 4.2Å; W74-Y110 AromaticContact CG-CE2 3.85Å; W74-Y110 HydrophobicContact CG-CE2 3.85Å; W74-Y110 HydrophobicContact CZ2-CD2 4.41Å; W74-Y110 AromaticContact NE1-CE2 3.59Å; P79-Y110 VanDerWaalsContact CD-CD1 3.42Å; P79-Y110 VanDerWaalsContact CD-CE1 3.48Å; P79-Y110 HydrophobicContact CG-CD1 3.73Å; P79-Y110 HydrophobicContact CG-CD2 3.89Å; P79-Y110 HydrophobicContact CG-CE1 4.31Å; P79-Y110 HydrophobicContact CG-CE2 4.46Å; P79-Y110 HydrophobicContact CG-CG 3.48Å; P79-Y110 VanDerWaalsContact CG-CG 3.48Å; K108-Y110 PolarHBondContact O-N 2.88Å; Y110-T129 WeakPolarHBondContact CA-O 3.26Å; Y110-T129 WeakPolarHBondContact CB-O 3.2Å; Y110-T129 HydrophobicContact CD1-CG2 4.02Å; Y110-T129 PolarHBondContact N-O 3.09Å
111	E	94.2	Very high	91.2	Very high	20 Å²	20	43.6 Å²	43.6	9%	0.093	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	142.7	176.6	-167.7	-178.9	160.9	0	0	110.9	R67 Y68 R113 T129	R67-E111 IonicContact CZ-OE1 3.46Å; R67-E111 IonicContact NE-OE1 3.94Å; R67-E111 PolarHBondContact NE-OE1 3.43Å; R67-E111 IonicContact NH2-OE1 3.3Å; R67-E111 PolarHBondContact NH2-OE1 3.18Å; R67-E111 IonicContact NH2-OE2 2.66Å; R67-E111 PolarHBondContact NH2-OE2 3.02Å; Y68-E111 CarbonylContact O-C 3.55Å; Y68-E111 VanDerWaalsContact O-CA 3.31Å; Y68-E111 WeakPolarHBondContact O-CA 3.36Å; E111-R113 HydrophobicContact CG-CG 3.97Å; E111-R113 WeakPolarHBondContact OE1-CD 3.48Å; E111-R113 WeakPolarHBondContact OE1-CG 3.29Å; E111-T129 PolarHBondContact N-O 2.97Å; E111-T129 PolarHBondContact O-N 2.77Å
112	M	95	Very high	91.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132	163.2	-178.1	172.5	90.7	0	0	110.5	R67 Y68 E96 L99 V100 I109 M114 F127 V128	R67-M112 CarbonylContact C-O 3.58Å; R67-M112 WeakPolarHBondContact CA-O 3.38Å; Y68-M112 HydrophobicContact CD1-CB 4.33Å; Y68-M112 PolarHBondContact N-O 3.16Å; Y68-M112 PolarHBondContact O-N 3.47Å; E96-M112 HydrophobicContact CB-CE 3.78Å; E96-M112 HydrophobicContact CG-CE 3.58Å; L99-M112 HydrophobicContact CB-CE 3.96Å; L99-M112 HydrophobicContact CB-SD 4.03Å; L99-M112 HydrophobicContact CD2-CE 4.32Å; L99-M112 HydrophobicContact CD2-SD 3.78Å; L99-M112 HydrophobicContact CG-SD 4.35Å; V100-M112 HydrophobicContact CG2-CE 3.53Å; V100-M112 HydrophobicContact CG2-SD 3.99Å; I109-M112 HydrophobicContact CG2-CB 4.33Å; M112-M114 HydrophobicContact CE-CE 4.5Å; M112-F127 CarbonylContact C-O 3.57Å; M112-F127 WeakPolarHBondContact CA-O 3.5Å; M112-V128 HydrophobicContact CB-CG2 4.33Å; M112-V128 HydrophobicContact CG-CG2 3.76Å; M112-V128 HydrophobicContact SD-CG2 3.83Å
113	R	93.7	Very high	90.9	Very high	56 Å²	56	42.4 Å²	42.4	21%	0.211	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	94.8	-175.4	-54.6	-172.6	-70	157.1	-4.2	109.4	R67 E84 E111 M115 A126 F127	R67-R113 HydrophobicContact CG-CG 4.48Å; E84-R113 IonicContact OE1-NH2 3.71Å; E84-R113 PolarHBondContact OE1-NH2 3.15Å; E84-R113 IonicContact OE2-CZ 3.34Å; E84-R113 IonicContact OE2-NE 3.21Å; E84-R113 PolarHBondContact OE2-NE 3.16Å; E84-R113 IonicContact OE2-NH2 3.87Å; E84-R113 PolarHBondContact OE2-NH2 2.6Å; E111-R113 HydrophobicContact CG-CG 3.97Å; E111-R113 WeakPolarHBondContact OE1-CD 3.48Å; E111-R113 WeakPolarHBondContact OE1-CG 3.29Å; R113-M115 HydrophobicContact CB-CE 4.05Å; R113-A126 CarbonylContact O-C 3.56Å; R113-A126 VanDerWaalsContact O-CA 3.25Å; R113-A126 WeakPolarHBondContact O-CA 3.34Å; R113-F127 HydrophobicContact CB-CB 4.42Å; R113-F127 PolarHBondContact N-O 3.43Å; R113-F127 PolarHBondContact O-N 2.76Å
114	M	93.6	Very high	90.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	131.1	172	-168.3	172.3	-65.9	0	0	109.4	Q65 R66 E96 M112 M116 N122 A126	Q65-M114 CarbonylContact C-O 3.57Å; Q65-M114 WeakPolarHBondContact CA-O 3.18Å; R66-M114 PolarHBondContact N-O 2.86Å; R66-M114 PolarHBondContact O-N 3.3Å; E96-M114 HydrophobicContact CG-CE 4.34Å; E96-M114 WeakPolarHBondContact OE1-CB 3.43Å; M112-M114 HydrophobicContact CE-CE 4.5Å; M114-M116 HydrophobicContact CB-SD 4.28Å; M114-M116 HydrophobicContact CG-SD 3.85Å; M114-M116 HydrophobicContact SD-SD 4.08Å; M114-N122 HydrophobicContact CG-CB 3.87Å; M114-N122 HydrophobicContact SD-CB 3.63Å; M114-A126 HydrophobicContact CB-CB 4.31Å; M114-A126 HydrophobicContact CG-CB 4.38Å
115	M	91	Very high	90.7	Very high	11 Å²	11	41.3 Å²	41.3	5%	0.054	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.2	178.4	-61	-60.2	162.9	0	0	109.3	Q65 R113 N122 R123 Y125 F127	Q65-M115 HydrophobicContact CB-SD 4.15Å; Q65-M115 VanDerWaalsContact CD-SD 3.57Å; Q65-M115 HydrophobicContact CG-CE 4.29Å; Q65-M115 HydrophobicContact CG-SD 3.55Å; Q65-M115 VanDerWaalsContact CG-SD 3.55Å; R113-M115 HydrophobicContact CB-CE 4.05Å; M115-N122 CarbonylContact O-C 3.58Å; M115-N122 WeakPolarHBondContact O-CA 3.15Å; M115-R123 HydrophobicContact CB-CB 4.1Å; M115-R123 HydrophobicContact CB-CG 4.25Å; M115-R123 PolarHBondContact O-N 3.44Å; M115-Y125 HydrophobicContact CB-CD2 4.32Å; M115-Y125 HydrophobicContact CB-CE1 4.28Å; M115-Y125 HydrophobicContact CB-CE2 3.94Å; M115-Y125 HydrophobicContact CG-CD2 3.91Å; M115-Y125 HydrophobicContact CG-CE2 3.46Å; M115-Y125 VanDerWaalsContact CG-CE2 3.46Å; M115-Y125 PolarHBondContact N-O 3.48Å; M115-F127 HydrophobicContact CE-CD2 3.6Å; M115-F127 HydrophobicContact CE-CE2 3.77Å; M115-F127 HydrophobicContact CG-CE2 4.4Å
116	M	89.8	Confident	90.7	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.2	-167.8	-59	-52	-52	0	0	112	G64 R66 M114 G120 S121 N122 R123	G64-M116 PolarHBondContact O-N 3.45Å; R66-M116 HydrophobicContact CB-CG 3.95Å; R66-M116 HydrophobicContact CB-SD 4.24Å; M114-M116 HydrophobicContact CB-SD 4.28Å; M114-M116 HydrophobicContact CG-SD 3.85Å; M114-M116 HydrophobicContact SD-SD 4.08Å; M116-G120 WeakPolarHBondContact CE-O 3.01Å; M116-S121 VanDerWaalsContact CE-C 3.48Å; M116-S121 WeakPolarHBondContact CE-O 3.42Å; M116-N122 HydrophobicContact CE-CB 4.35Å; M116-N122 HydrophobicContact SD-CB 4.17Å; M116-R123 PolarHBondContact O-NE 2.72Å
117	D	86.8	Confident	90.6	Very high	46 Å²	46	34.3 Å²	34.3	25%	0.246	18%	0.178	C	C	.	.			trans	-94.8	161.5	172.3	-166.4	8.4	0	0	0	110.6	N119 G120 S121 R123	D117-N119 PolarHBondContact O-N 2.91Å; D117-N119 PolarHBondContact OD2-ND2 3.39Å; D117-G120 PolarHBondContact O-N 3.41Å; D117-S121 WeakPolarHBondContact CB-O 3.42Å; D117-S121 PolarHBondContact N-O 3.12Å; D117-R123 HydrophobicContact CB-CG 4.35Å
118	F	80.7	Confident	90.7	Very high	147 Å²	147	33.6 Å²	33.6	65%	0.645	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.6	-175.3	-61.1	-77.3	0	0	0	113	G120 P417 I420	F118-G120 PolarHBondContact O-N 2.89Å; F118-P417 WeakPolarHBondContact CZ-O 3.31Å; F118-I420 HydrophobicContact CE2-CD1 4.08Å; F118-I420 HydrophobicContact CZ-CD1 4.26Å
119	N	81.8	Confident	90.8	Very high	109 Å²	109	30.9 Å²	30.9	58%	0.583	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-0	171.9	58.3	42	0	0	0	114.1	D117 S121	D117-N119 PolarHBondContact O-N 2.91Å; D117-N119 PolarHBondContact OD2-ND2 3.39Å; N119-S121 VanDerWaalsContact C-N 3.31Å; N119-S121 PolarHBondContact O-N 3.26Å; N119-S121 WeakPolarHBondContact OD1-CB 3.4Å; N119-S121 PolarHBondContact OD1-N 3.37Å; N119-S121 PolarHBondContact OD1-OG 3.41Å
120	G	79.1	Confident	90.8	Very high	36 Å²	36	30.9 Å²	30.9	37%	0.371	16%	0.161	S	C	.	.	S	Bend	trans	83.6	-5.3	179.9	0	0	0	0	0	115.4	M116 D117 F118	M116-G120 WeakPolarHBondContact CE-O 3.01Å; D117-G120 PolarHBondContact O-N 3.41Å; F118-G120 PolarHBondContact O-N 2.89Å
121	S	86.3	Confident	90.7	Very high	48 Å²	48	30.8 Å²	30.8	34%	0.336	16%	0.164	S	C	.	.	S	Bend	trans	-79.1	157.5	169.8	-54.7	0	0	0	0	110.9	R92 M116 D117 N119	R92-S121 WeakPolarHBondContact O-CB 3.4Å; M116-S121 VanDerWaalsContact CE-C 3.48Å; M116-S121 WeakPolarHBondContact CE-O 3.42Å; D117-S121 WeakPolarHBondContact CB-O 3.42Å; D117-S121 PolarHBondContact N-O 3.12Å; N119-S121 VanDerWaalsContact C-N 3.31Å; N119-S121 PolarHBondContact O-N 3.26Å; N119-S121 WeakPolarHBondContact OD1-CB 3.4Å; N119-S121 PolarHBondContact OD1-N 3.37Å; N119-S121 PolarHBondContact OD1-OG 3.41Å
122	N	91.1	Very high	90.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	161.8	176.8	75.5	52.5	0	0	0	111.8	P91 R92 V94 M114 M115 M116 G124	P91-N122 PolarHBondContact O-ND2 3.08Å; P91-N122 PolarHBondContact O-OD1 3.47Å; R92-N122 WeakPolarHBondContact CD-O 3.37Å; R92-N122 PolarHBondContact NH1-O 2.9Å; R92-N122 PolarHBondContact O-N 2.9Å; R92-N122 PolarHBondContact O-ND2 3.43Å; V94-N122 PolarHBondContact O-ND2 3.12Å; M114-N122 HydrophobicContact CG-CB 3.87Å; M114-N122 HydrophobicContact SD-CB 3.63Å; M115-N122 CarbonylContact O-C 3.58Å; M115-N122 WeakPolarHBondContact O-CA 3.15Å; M116-N122 HydrophobicContact CE-CB 4.35Å; M116-N122 HydrophobicContact SD-CB 4.17Å; N122-G124 PolarHBondContact O-N 2.8Å; N122-G124 VanDerWaalsContact OD1-CA 3.31Å; N122-G124 WeakPolarHBondContact OD1-CA 3.49Å; N122-G124 PolarHBondContact OD1-N 3.47Å
123	R	90.7	Very high	90.4	Very high	38 Å²	38	37.3 Å²	37.3	14%	0.143	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	8.3	178.9	-64.5	-169.8	178.8	-147.5	-15.7	114	M115 M116 D117 Y125 I415	M115-R123 HydrophobicContact CB-CB 4.1Å; M115-R123 HydrophobicContact CB-CG 4.25Å; M115-R123 PolarHBondContact O-N 3.44Å; M116-R123 PolarHBondContact O-NE 2.72Å; D117-R123 HydrophobicContact CB-CG 4.35Å; R123-Y125 VanDerWaalsContact C-N 3.35Å; R123-Y125 HydrophobicContact CB-CD1 3.89Å; R123-Y125 HydrophobicContact CB-CE1 3.49Å; R123-Y125 VanDerWaalsContact CB-CE1 3.49Å; R123-Y125 WeakPolarHBondContact O-CD1 3.33Å; R123-I415 PolarHBondContact NH1-O 2.72Å; R123-I415 VanDerWaalsContact NH1-O 3.17Å
124	G	91.6	Very high	90.3	Very high	14 Å²	14	40.9 Å²	40.9	14%	0.144	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.1	4.4	-174.5	0	0	0	0	0	114.8	K89 L90 N122	K89-G124 PolarHBondContact N-O 2.85Å; L90-G124 PolarHBondContact N-O 3.08Å; N122-G124 PolarHBondContact O-N 2.8Å; N122-G124 VanDerWaalsContact OD1-CA 3.31Å; N122-G124 WeakPolarHBondContact OD1-CA 3.49Å; N122-G124 PolarHBondContact OD1-N 3.47Å
125	Y	93.7	Very high	90.4	Very high	40 Å²	40	42.8 Å²	42.8	16%	0.157	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	157.5	178.2	66.9	-76.8	0	0	0	114.1	F86 V87 M115 R123 F127	F86-Y125 HydrophobicContact CD2-CD2 4.46Å; F86-Y125 AromaticContact CE2-CD2 3.73Å; F86-Y125 HydrophobicContact CE2-CD2 3.73Å; F86-Y125 AromaticContact CE2-CG 3.98Å; F86-Y125 HydrophobicContact CE2-CG 3.98Å; F86-Y125 HydrophobicContact CZ-CG 4.45Å; V87-Y125 CarbonylContact O-C 3.59Å; V87-Y125 WeakPolarHBondContact O-CA 3.3Å; V87-Y125 WeakPolarHBondContact O-CB 3.34Å; M115-Y125 HydrophobicContact CB-CD2 4.32Å; M115-Y125 HydrophobicContact CB-CE1 4.28Å; M115-Y125 HydrophobicContact CB-CE2 3.94Å; M115-Y125 HydrophobicContact CG-CD2 3.91Å; M115-Y125 HydrophobicContact CG-CE2 3.46Å; M115-Y125 VanDerWaalsContact CG-CE2 3.46Å; M115-Y125 PolarHBondContact N-O 3.48Å; R123-Y125 VanDerWaalsContact C-N 3.35Å; R123-Y125 HydrophobicContact CB-CD1 3.89Å; R123-Y125 HydrophobicContact CB-CE1 3.49Å; R123-Y125 VanDerWaalsContact CB-CE1 3.49Å; R123-Y125 WeakPolarHBondContact O-CD1 3.33Å; Y125-F127 AromaticContact CD2-CE2 3.87Å; Y125-F127 HydrophobicContact CD2-CE2 3.87Å; Y125-F127 HydrophobicContact CD2-CZ 4.42Å; Y125-F127 AromaticContact CE2-CE2 3.87Å; Y125-F127 HydrophobicContact CE2-CE2 3.87Å; Y125-F127 HydrophobicContact CE2-CZ 4.44Å
126	A	94.3	Very high	90.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	169.3	175	0	0	0	0	0	110.4	V87 L90 L99 R113 M114	V87-A126 PolarHBondContact N-O 3.3Å; V87-A126 PolarHBondContact O-N 3.12Å; L90-A126 HydrophobicContact CD1-CB 3.79Å; L99-A126 HydrophobicContact CD2-CB 4.22Å; R113-A126 CarbonylContact O-C 3.56Å; R113-A126 VanDerWaalsContact O-CA 3.25Å; R113-A126 WeakPolarHBondContact O-CA 3.34Å; M114-A126 HydrophobicContact CB-CB 4.31Å; M114-A126 HydrophobicContact CG-CB 4.38Å
127	F	93.9	Very high	90.6	Very high	32 Å²	32	46.9 Å²	46.9	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.1	170.5	-61.8	-98.8	0	0	0	110.1	E84 V85 F86 M112 R113 M115 Y125	E84-F127 HydrophobicContact CG-CB 4.06Å; E84-F127 HydrophobicContact CG-CD1 4.39Å; E84-F127 VanDerWaalsContact OE1-CD1 3.29Å; E84-F127 WeakPolarHBondContact OE1-CD1 3.39Å; E84-F127 WeakPolarHBondContact OE2-CB 3.47Å; V85-F127 CarbonylContact O-C 3.54Å; V85-F127 WeakPolarHBondContact O-CA 3.05Å; F86-F127 HydrophobicContact CB-CD1 4.36Å; F86-F127 HydrophobicContact CB-CE1 4.29Å; F86-F127 HydrophobicContact CD2-CD1 4.35Å; F86-F127 AromaticContact CD2-CE1 3.81Å; F86-F127 HydrophobicContact CD2-CE1 3.81Å; F86-F127 AromaticContact CD2-CZ 3.9Å; F86-F127 HydrophobicContact CD2-CZ 3.9Å; F86-F127 HydrophobicContact CE2-CZ 4.48Å; M112-F127 CarbonylContact C-O 3.57Å; M112-F127 WeakPolarHBondContact CA-O 3.5Å; R113-F127 HydrophobicContact CB-CB 4.42Å; R113-F127 PolarHBondContact N-O 3.43Å; R113-F127 PolarHBondContact O-N 2.76Å; M115-F127 HydrophobicContact CE-CD2 3.6Å; M115-F127 HydrophobicContact CE-CE2 3.77Å; M115-F127 HydrophobicContact CG-CE2 4.4Å; Y125-F127 AromaticContact CD2-CE2 3.87Å; Y125-F127 HydrophobicContact CD2-CE2 3.87Å; Y125-F127 HydrophobicContact CD2-CZ 4.42Å; Y125-F127 AromaticContact CE2-CE2 3.87Å; Y125-F127 HydrophobicContact CE2-CE2 3.87Å; Y125-F127 HydrophobicContact CE2-CZ 4.44Å
128	V	95.5	Very high	91	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.6	178	-178.4	0	0	0	0	109.3	E84 V85 V87 F103 I109 M112 Y130	E84-V128 CarbonylContact C-O 3.55Å; E84-V128 WeakPolarHBondContact CA-O 3.46Å; V85-V128 HydrophobicContact CG2-CB 3.87Å; V85-V128 PolarHBondContact N-O 3.5Å; V85-V128 PolarHBondContact O-N 3.26Å; V87-V128 HydrophobicContact CG2-CG2 3.92Å; F103-V128 HydrophobicContact CB-CG1 4.23Å; F103-V128 HydrophobicContact CD1-CB 4.01Å; F103-V128 HydrophobicContact CD1-CG1 3.98Å; F103-V128 HydrophobicContact CD1-CG2 3.76Å; F103-V128 HydrophobicContact CE1-CB 4.46Å; F103-V128 HydrophobicContact CE1-CG2 4.08Å; F103-V128 HydrophobicContact CG-CG1 4.34Å; F103-V128 HydrophobicContact CG-CG2 4.03Å; I109-V128 HydrophobicContact CD1-CG1 4.07Å; I109-V128 HydrophobicContact CG1-CG1 4.02Å; I109-V128 HydrophobicContact CG2-CG1 4.2Å; M112-V128 HydrophobicContact CB-CG2 4.33Å; M112-V128 HydrophobicContact CG-CG2 3.76Å; M112-V128 HydrophobicContact SD-CG2 3.83Å; V128-Y130 HydrophobicContact CG1-CD2 4.38Å; V128-Y130 HydrophobicContact CG1-CE2 3.98Å
129	T	94.9	Very high	91.7	Very high	18 Å²	18	43.3 Å²	43.3	11%	0.11	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118.7	173.8	-59.5	0	0	0	0	109.3	P79 E84 Y110 E111	P79-T129 HydrophobicContact CB-CG2 3.99Å; P79-T129 HydrophobicContact CG-CG2 3.95Å; E84-T129 WeakPolarHBondContact CG-OG1 3.34Å; E84-T129 PolarHBondContact OE2-OG1 2.58Å; Y110-T129 WeakPolarHBondContact CA-O 3.26Å; Y110-T129 WeakPolarHBondContact CB-O 3.2Å; Y110-T129 HydrophobicContact CD1-CG2 4.02Å; Y110-T129 PolarHBondContact N-O 3.09Å; E111-T129 PolarHBondContact N-O 2.97Å; E111-T129 PolarHBondContact O-N 2.77Å
130	Y	95.4	Very high	92.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	162.9	172	-74	-83.4	0	0	0	111.6	P79 C83 V85 F103 I106 I109 V128 D132 Q135 A136 A139	P79-Y130 WeakPolarHBondContact CB-O 3.43Å; P79-Y130 VanDerWaalsContact CG-O 3.31Å; P79-Y130 WeakPolarHBondContact CG-O 3.49Å; C83-Y130 WeakPolarHBondContact CB-O 3.5Å; C83-Y130 PolarHBondContact O-N 3.08Å; V85-Y130 HydrophobicContact CG2-CE2 4.16Å; F103-Y130 HydrophobicContact CD1-CE2 4.46Å; F103-Y130 WeakPolarHBondContact CD1-OH 3.42Å; F103-Y130 PolarHBondContact O-OH 2.94Å; I106-Y130 HydrophobicContact CB-CE1 4.17Å; I109-Y130 HydrophobicContact CG1-CE1 4.37Å; V128-Y130 HydrophobicContact CG1-CD2 4.38Å; V128-Y130 HydrophobicContact CG1-CE2 3.98Å; Y130-D132 PolarHBondContact O-N 2.68Å; Y130-Q135 HydrophobicContact CD1-CB 3.77Å; Y130-Q135 HydrophobicContact CD2-CB 4.49Å; Y130-Q135 HydrophobicContact CE1-CB 4.45Å; Y130-Q135 HydrophobicContact CG-CB 3.78Å; Y130-A136 HydrophobicContact CD2-CB 4.18Å; Y130-A139 HydrophobicContact CE2-CB 3.58Å
131	C	92.1	Very high	92.8	Very high	29 Å²	29	44 Å²	44	20%	0.196	21%	0.212	C	C	.	.	S	Bend	trans	-64.4	-18.8	169.2	-65.6	0	0	0	0	113.5	W74 K108	W74-C131 HydrophobicContact CH2-CB 3.79Å; W74-C131 HydrophobicContact CZ3-CB 3.92Å; W74-C131 WeakPolarHBondContact CZ3-SG 3.46Å; K108-C131 PolarHBondContact O-N 3.47Å; K108-C131 VanDerWaalsContact O-N 3.14Å; K108-C131 PolarHBondContact O-SG 3.26Å; K108-C131 VanDerWaalsContact O-SG 3.39Å
132	D	91.3	Very high	93.1	Very high	57 Å²	57	47.1 Å²	47.1	31%	0.305	22%	0.222	S	C	.	.	S	Bend	trans	-144.6	148.3	-172.4	164.6	51.5	0	0	0	113.7	C83 Y130 H134 Q135 A136	C83-D132 VanDerWaalsContact SG-C 3.58Å; Y130-D132 PolarHBondContact O-N 2.68Å; D132-H134 IonicContact OD1-CD2 3.09Å; D132-H134 PolarHBondContact OD1-CD2 3.46Å; D132-H134 PolarHBondContact OD1-N 3.13Å; D132-H134 WeakPolarHBondContact OD2-CA 3.31Å; D132-H134 VanDerWaalsContact OD2-CB 3.24Å; D132-H134 WeakPolarHBondContact OD2-CB 3.38Å; D132-H134 IonicContact OD2-CD2 3.32Å; D132-H134 IonicContact OD2-CG 2.67Å; D132-H134 PolarHBondContact OD2-N 2.74Å; D132-Q135 HydrophobicContact CB-CG 4.13Å; D132-Q135 PolarHBondContact O-N 2.82Å; D132-Q135 PolarHBondContact OD2-N 3.3Å; D132-A136 PolarHBondContact O-N 3.08Å
133	K	90.7	Very high	93.3	Very high	99 Å²	99	47.5 Å²	47.5	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-67.4	-32.8	179.8	-178	-176.1	171.3	-167.6	0	112.2	C83 A136 K137 E251	C83-K133 PolarHBondContact SG-N 3.01Å; K133-A136 PolarHBondContact O-N 3.1Å; K133-K137 PolarHBondContact O-N 3.02Å; K133-E251 IonicContact NZ-OE1 3.21Å; K133-E251 PolarHBondContact NZ-OE1 2.91Å; K133-E251 IonicContact NZ-OE2 3.86Å
134	H	92.6	Very high	93.3	Very high	132 Å²	132	49.6 Å²	49.6	61%	0.611	24%	0.238	S	C	*	.	H	α-helix	trans	-72.6	-36.3	176.6	-58.1	-93.7	0	0	0	111.6	D132 A136 K137 R138	D132-H134 IonicContact OD1-CD2 3.09Å; D132-H134 PolarHBondContact OD1-CD2 3.46Å; D132-H134 PolarHBondContact OD1-N 3.13Å; D132-H134 WeakPolarHBondContact OD2-CA 3.31Å; D132-H134 VanDerWaalsContact OD2-CB 3.24Å; D132-H134 WeakPolarHBondContact OD2-CB 3.38Å; D132-H134 IonicContact OD2-CD2 3.32Å; D132-H134 IonicContact OD2-CG 2.67Å; D132-H134 PolarHBondContact OD2-N 2.74Å; H134-A136 VanDerWaalsContact C-N 3.35Å; H134-A136 PolarHBondContact O-N 3Å; H134-K137 PolarHBondContact O-N 3.06Å; H134-R138 PolarHBondContact O-N 2.92Å
135	Q	94.6	Very high	93.2	Very high	39 Å²	39	51 Å²	51	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-43.9	171.8	-63.5	173.4	7	0	0	111.4	I106 Y130 D132 R138 A139	I106-Q135 VanDerWaalsContact CG2-O 3.32Å; I106-Q135 WeakPolarHBondContact CG2-O 3.36Å; Y130-Q135 HydrophobicContact CD1-CB 3.77Å; Y130-Q135 HydrophobicContact CD2-CB 4.49Å; Y130-Q135 HydrophobicContact CE1-CB 4.45Å; Y130-Q135 HydrophobicContact CG-CB 3.78Å; D132-Q135 HydrophobicContact CB-CG 4.13Å; D132-Q135 PolarHBondContact O-N 2.82Å; D132-Q135 PolarHBondContact OD2-N 3.3Å; Q135-R138 PolarHBondContact O-N 3.25Å; Q135-A139 PolarHBondContact O-N 2.96Å
136	A	93.4	Very high	93.1	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-41	173.5	0	0	0	0	0	113.2	V85 Y130 D132 K133 H134 R138 A139 C140	V85-A136 HydrophobicContact CG1-CB 3.91Å; V85-A136 WeakPolarHBondContact CG1-O 3.45Å; Y130-A136 HydrophobicContact CD2-CB 4.18Å; D132-A136 PolarHBondContact O-N 3.08Å; K133-A136 PolarHBondContact O-N 3.1Å; H134-A136 VanDerWaalsContact C-N 3.35Å; H134-A136 PolarHBondContact O-N 3Å; A136-R138 PolarHBondContact O-N 3.05Å; A136-A139 PolarHBondContact O-N 2.77Å; A136-C140 PolarHBondContact O-N 3.44Å; A136-C140 PolarHBondContact O-SG 2.9Å
137	K	91.9	Very high	93.1	Very high	97 Å²	97	56.3 Å²	56.3	42%	0.422	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-44	174.2	-171.2	177.5	179.7	-178	0	111.1	K133 H134 C140 Q141 E252	K133-K137 PolarHBondContact O-N 3.02Å; H134-K137 PolarHBondContact O-N 3.06Å; K137-C140 PolarHBondContact O-N 2.84Å; K137-Q141 WeakPolarHBondContact O-CG 3.46Å; K137-Q141 PolarHBondContact O-N 2.97Å; K137-E252 IonicContact NZ-OE1 3.36Å; K137-E252 PolarHBondContact NZ-OE1 3.26Å
138	R	94.7	Very high	93	Very high	117 Å²	117	56 Å²	56	44%	0.442	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-43.9	176.1	-73.6	-160.8	-54.8	-156.9	6.5	113.1	I106 H134 Q135 A136 C140 Q141 E142	I106-R138 HydrophobicContact CG2-CB 3.64Å; I106-R138 PolarHBondContact O-NH2 2.79Å; H134-R138 PolarHBondContact O-N 2.92Å; Q135-R138 PolarHBondContact O-N 3.25Å; A136-R138 PolarHBondContact O-N 3.05Å; R138-C140 VanDerWaalsContact C-N 3.26Å; R138-C140 PolarHBondContact O-N 3.32Å; R138-Q141 CarbonylContact O-C 3.46Å; R138-Q141 WeakPolarHBondContact O-CA 3.23Å; R138-Q141 WeakPolarHBondContact O-CB 3.37Å; R138-Q141 PolarHBondContact O-N 3.37Å; R138-E142 WeakPolarHBondContact CB-OE1 3.31Å; R138-E142 WeakPolarHBondContact CD-OE1 3.22Å; R138-E142 PolarHBondContact O-N 3.41Å
139	A	95.5	Very high	92.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-38.5	179.6	0	0	0	0	0	112.2	V85 I106 Y130 Q135 A136 Q141 L143	V85-A139 HydrophobicContact CG1-CB 4.25Å; V85-A139 HydrophobicContact CG2-CB 4.42Å; I106-A139 HydrophobicContact CG1-CB 4.37Å; I106-A139 HydrophobicContact CG2-CB 4.14Å; Y130-A139 HydrophobicContact CE2-CB 3.58Å; Q135-A139 PolarHBondContact O-N 2.96Å; A136-A139 PolarHBondContact O-N 2.77Å; A139-Q141 PolarHBondContact O-N 3Å; A139-L143 HydrophobicContact CB-CD1 4.44Å; A139-L143 WeakPolarHBondContact O-CB 3.49Å; A139-L143 PolarHBondContact O-N 3.44Å
140	C	92.4	Very high	92.5	Very high	29 Å²	29	70.1 Å²	70.1	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-66.2	-20.9	173.2	-59	0	0	0	0	114.3	V85 A136 K137 R138 N144 L157 K158	V85-C140 WeakPolarHBondContact CG1-SG 3.4Å; A136-C140 PolarHBondContact O-N 3.44Å; A136-C140 PolarHBondContact O-SG 2.9Å; K137-C140 PolarHBondContact O-N 2.84Å; R138-C140 VanDerWaalsContact C-N 3.26Å; R138-C140 PolarHBondContact O-N 3.32Å; C140-N144 VanDerWaalsContact O-CB 3.32Å; C140-N144 WeakPolarHBondContact O-CB 3.39Å; C140-L157 VanDerWaalsContact SG-C 3.52Å; C140-K158 PolarHBondContact SG-N 3.31Å; C140-K158 VanDerWaalsContact SG-N 3.39Å
141	Q	91.4	Very high	92.2	Very high	132 Å²	132	72.6 Å²	72.6	62%	0.617	35%	0.354	S	S	*	.	H	α-helix	trans	-95.8	-39.7	-178.5	-69.1	174.2	-45.1	0	0	112	K137 R138 A139	K137-Q141 WeakPolarHBondContact O-CG 3.46Å; K137-Q141 PolarHBondContact O-N 2.97Å; R138-Q141 CarbonylContact O-C 3.46Å; R138-Q141 WeakPolarHBondContact O-CA 3.23Å; R138-Q141 WeakPolarHBondContact O-CB 3.37Å; R138-Q141 PolarHBondContact O-N 3.37Å; A139-Q141 PolarHBondContact O-N 3Å
142	E	93.9	Very high	92.1	Very high	113 Å²	113	78.3 Å²	78.3	53%	0.528	37%	0.371	S	S	.	.	H	α-helix	trans	-96.7	-32	-171.6	-65.4	174.3	-130.7	0	0	113.6	I106 R138	I106-E142 HydrophobicContact CD1-CB 3.93Å; I106-E142 HydrophobicContact CD1-CG 4.5Å; I106-E142 WeakPolarHBondContact CD1-OE2 3.34Å; R138-E142 WeakPolarHBondContact CB-OE1 3.31Å; R138-E142 WeakPolarHBondContact CD-OE1 3.22Å; R138-E142 PolarHBondContact O-N 3.41Å
143	L	94.3	Very high	92.2	Very high	9 Å²	9	80.8 Å²	80.8	5%	0.047	38%	0.379	C	S	.	.	S	Bend	trans	-102.7	-6.7	-176.1	-57.5	-179.1	0	0	0	113.9	V102 F103 I106 A139 G145 F146 V156	V102-L143 HydrophobicContact CG1-CD1 4.24Å; V102-L143 HydrophobicContact CG1-CD2 3.83Å; F103-L143 HydrophobicContact CD1-CD1 3.72Å; F103-L143 HydrophobicContact CD2-CD1 4.19Å; F103-L143 HydrophobicContact CE1-CD1 3.81Å; F103-L143 HydrophobicContact CE2-CD1 4.29Å; F103-L143 HydrophobicContact CG-CD1 3.9Å; F103-L143 HydrophobicContact CZ-CD1 4.08Å; I106-L143 HydrophobicContact CD1-CD1 4.38Å; I106-L143 HydrophobicContact CD1-CD2 4.32Å; I106-L143 HydrophobicContact CD1-CG 4.11Å; I106-L143 HydrophobicContact CG1-CD1 3.69Å; I106-L143 HydrophobicContact CG1-CD2 4.46Å; I106-L143 HydrophobicContact CG1-CG 3.98Å; A139-L143 HydrophobicContact CB-CD1 4.44Å; A139-L143 WeakPolarHBondContact O-CB 3.49Å; A139-L143 PolarHBondContact O-N 3.44Å; L143-G145 PolarHBondContact O-N 3.29Å; L143-F146 HydrophobicContact CB-CB 4.5Å; L143-F146 HydrophobicContact CD2-CD2 4.35Å; L143-F146 WeakPolarHBondContact O-CB 3.48Å; L143-F146 PolarHBondContact O-N 3.03Å; L143-V156 HydrophobicContact CB-CB 4.49Å; L143-V156 HydrophobicContact CB-CG2 3.9Å; L143-V156 WeakPolarHBondContact O-CG2 3.35Å
144	N	91.3	Very high	92.3	Very high	82 Å²	82	76.1 Å²	76.1	44%	0.439	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	113	178.6	-174.8	31.1	0	0	0	110.8	C140 V156	C140-N144 VanDerWaalsContact O-CB 3.32Å; C140-N144 WeakPolarHBondContact O-CB 3.39Å; N144-V156 HydrophobicContact CB-CB 4.1Å; N144-V156 WeakPolarHBondContact CB-O 3.44Å; N144-V156 VanDerWaalsContact CG-O 3.24Å; N144-V156 PolarHBondContact OD1-N 2.83Å; N144-V156 PolarHBondContact OD1-O 3.25Å
145	G	89.8	Confident	92.3	Very high	42 Å²	42	70.5 Å²	70.5	43%	0.433	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	12.6	-168.5	0	0	0	0	0	113.9	L143 F153 I154	L143-G145 PolarHBondContact O-N 3.29Å; G145-F153 WeakPolarHBondContact O-CD1 3.13Å; G145-I154 WeakPolarHBondContact CA-O 3.31Å; G145-I154 PolarHBondContact N-O 2.82Å
146	F	92	Very high	92.2	Very high	59 Å²	59	68.6 Å²	68.6	26%	0.259	33%	0.328	S	S	.	.			trans	-66.7	136.6	175	179.7	-92.1	0	0	0	111.9	V102 L143 I148 F153 I154	V102-F146 HydrophobicContact CB-CE1 4.38Å; V102-F146 HydrophobicContact CG1-CD1 3.8Å; V102-F146 HydrophobicContact CG1-CE1 3.66Å; V102-F146 HydrophobicContact CG1-CE2 4.43Å; V102-F146 HydrophobicContact CG1-CG 4.26Å; V102-F146 HydrophobicContact CG1-CZ 4Å; V102-F146 HydrophobicContact CG2-CE1 3.74Å; V102-F146 HydrophobicContact CG2-CZ 4.08Å; L143-F146 HydrophobicContact CB-CB 4.5Å; L143-F146 HydrophobicContact CD2-CD2 4.35Å; L143-F146 WeakPolarHBondContact O-CB 3.48Å; L143-F146 PolarHBondContact O-N 3.03Å; F146-I148 HydrophobicContact CE1-CD1 4.33Å; F146-I148 PolarHBondContact O-N 3.02Å; F146-F153 CarbonylContact O-C 3.48Å; F146-F153 VanDerWaalsContact O-CA 3.31Å; F146-F153 WeakPolarHBondContact O-CA 3.25Å; F146-I154 HydrophobicContact CB-CD1 4.32Å; F146-I154 HydrophobicContact CB-CG1 4.06Å; F146-I154 HydrophobicContact CD1-CD1 4.37Å; F146-I154 PolarHBondContact O-N 3.12Å
147	E	93.5	Very high	92	Very high	94 Å²	94	72.3 Å²	72.3	44%	0.439	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	98.8	178.5	-166.9	171.8	-170.4	0	0	110.8	R149 R150 G151 R152 F153	E147-R149 WeakPolarHBondContact CG-O 3.3Å; E147-R150 VanDerWaalsContact OE1-CA 3.26Å; E147-R150 WeakPolarHBondContact OE1-CA 3.22Å; E147-G151 PolarHBondContact OE1-N 3.47Å; E147-R152 WeakPolarHBondContact CA-O 3.42Å; E147-F153 HydrophobicContact CB-CD1 3.75Å; E147-F153 HydrophobicContact CB-CE1 3.63Å; E147-F153 HydrophobicContact CG-CD1 4.12Å; E147-F153 HydrophobicContact CG-CE1 3.77Å; E147-F153 HydrophobicContact CG-CZ 4.24Å
148	I	91.9	Very high	91.8	Very high	25 Å²	25	72.5 Å²	72.5	13%	0.128	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-32.7	180	-170.3	61.7	0	0	0	112	P91 V94 E98 L99 V102 F146 R152 I154	P91-I148 HydrophobicContact CG-CG2 4.19Å; V94-I148 HydrophobicContact CG2-CG1 4.41Å; E98-I148 HydrophobicContact CB-CD1 4.36Å; L99-I148 HydrophobicContact CD1-CD1 4.35Å; L99-I148 HydrophobicContact CD1-CG1 4.46Å; V102-I148 HydrophobicContact CG2-CD1 3.93Å; F146-I148 HydrophobicContact CE1-CD1 4.33Å; F146-I148 PolarHBondContact O-N 3.02Å; I148-R152 HydrophobicContact CG2-CB 4.27Å; I148-R152 PolarHBondContact N-O 3.3Å; I148-I154 HydrophobicContact CB-CG2 3.93Å; I148-I154 HydrophobicContact CG2-CG2 3.66Å
149	R	90.7	Very high	91.4	Very high	71 Å²	71	67.5 Å²	67.5	27%	0.268	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.9	174.3	-59.9	-177.1	-172.7	171.6	-4.9	108.3	D93 E98 E147 G151 R152	D93-R149 PolarHBondContact O-NH2 2.81Å; D93-R149 IonicContact OD1-CZ 2.77Å; D93-R149 IonicContact OD1-NH1 3.78Å; D93-R149 PolarHBondContact OD1-NH1 2.97Å; D93-R149 IonicContact OD1-NH2 3.52Å; D93-R149 IonicContact OD2-CZ 3.39Å; D93-R149 IonicContact OD2-NH1 3.81Å; D93-R149 PolarHBondContact OD2-NH1 3.44Å; D93-R149 IonicContact OD2-NH2 2.82Å; D93-R149 PolarHBondContact OD2-NH2 3.13Å; E98-R149 VanDerWaalsContact CD-NH2 3.33Å; E98-R149 IonicContact OE1-CZ 2.68Å; E98-R149 IonicContact OE1-NE 3.46Å; E98-R149 IonicContact OE1-NH2 3.34Å; E98-R149 PolarHBondContact OE1-NH2 2.76Å; E98-R149 IonicContact OE2-CZ 3.09Å; E98-R149 IonicContact OE2-NE 3.7Å; E98-R149 PolarHBondContact OE2-NE 3.36Å; E98-R149 IonicContact OE2-NH2 3.72Å; E98-R149 PolarHBondContact OE2-NH2 2.74Å; E98-R149 VanDerWaalsContact OE2-NH2 3.13Å; E147-R149 WeakPolarHBondContact CG-O 3.3Å; R149-G151 PolarHBondContact O-N 3.47Å; R149-G151 VanDerWaalsContact O-N 3.13Å; R149-R152 HydrophobicContact CB-CB 4.31Å; R149-R152 WeakPolarHBondContact O-CA 3.37Å; R149-R152 WeakPolarHBondContact O-CB 3.38Å; R149-R152 PolarHBondContact O-N 2.81Å
150	R	89	Confident	90.7	Very high	243 Å²	243	71 Å²	71	92%	0.917	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	118	-178	-67.4	-175.9	-179.4	179.5	0.7	112.3	E147 R152	E147-R150 VanDerWaalsContact OE1-CA 3.26Å; E147-R150 WeakPolarHBondContact OE1-CA 3.22Å; R150-R152 VanDerWaalsContact C-N 3.3Å; R150-R152 PolarHBondContact O-N 3.01Å
151	G	89.9	Confident	90	Very high	53 Å²	53	72.5 Å²	72.5	55%	0.546	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	11.5	-178.4	0	0	0	0	0	115.7	E147 R149	E147-G151 PolarHBondContact OE1-N 3.47Å; R149-G151 PolarHBondContact O-N 3.47Å; R149-G151 VanDerWaalsContact O-N 3.13Å
152	R	90.3	Very high	89.7	Confident	149 Å²	149	67.3 Å²	67.3	56%	0.562	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	101.9	-177.8	-62.7	-63.7	-173.2	152.6	-0.4	110.5	P91 E147 I148 R149 R150	P91-R152 HydrophobicContact CG-CB 3.99Å; P91-R152 HydrophobicContact CG-CG 4.06Å; E147-R152 WeakPolarHBondContact CA-O 3.42Å; I148-R152 HydrophobicContact CG2-CB 4.27Å; I148-R152 PolarHBondContact N-O 3.3Å; R149-R152 HydrophobicContact CB-CB 4.31Å; R149-R152 WeakPolarHBondContact O-CA 3.37Å; R149-R152 WeakPolarHBondContact O-CB 3.38Å; R149-R152 PolarHBondContact O-N 2.81Å; R150-R152 VanDerWaalsContact C-N 3.3Å; R150-R152 PolarHBondContact O-N 3.01Å
153	F	92.6	Very high	89.5	Confident	108 Å²	108	62.4 Å²	62.4	47%	0.474	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.3	-177.7	-53.9	-84.3	0	0	0	111.4	G145 F146 E147	G145-F153 WeakPolarHBondContact O-CD1 3.13Å; F146-F153 CarbonylContact O-C 3.48Å; F146-F153 VanDerWaalsContact O-CA 3.31Å; F146-F153 WeakPolarHBondContact O-CA 3.25Å; E147-F153 HydrophobicContact CB-CD1 3.75Å; E147-F153 HydrophobicContact CB-CE1 3.63Å; E147-F153 HydrophobicContact CG-CD1 4.12Å; E147-F153 HydrophobicContact CG-CE1 3.77Å; E147-F153 HydrophobicContact CG-CZ 4.24Å
154	I	92.9	Very high	89.4	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.005	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-80.2	144.1	177.7	67.1	176.5	0	0	0	110.7	V87 L90 F103 G145 F146 I148 V156	V87-I154 HydrophobicContact CG1-CB 4.34Å; V87-I154 HydrophobicContact CG1-CD1 4.12Å; L90-I154 HydrophobicContact CD2-CB 4.45Å; L90-I154 HydrophobicContact CD2-CG2 3.74Å; F103-I154 HydrophobicContact CE2-CD1 3.8Å; F103-I154 HydrophobicContact CZ-CD1 3.94Å; G145-I154 WeakPolarHBondContact CA-O 3.31Å; G145-I154 PolarHBondContact N-O 2.82Å; F146-I154 HydrophobicContact CB-CD1 4.32Å; F146-I154 HydrophobicContact CB-CG1 4.06Å; F146-I154 HydrophobicContact CD1-CD1 4.37Å; F146-I154 PolarHBondContact O-N 3.12Å; I148-I154 HydrophobicContact CB-CG2 3.93Å; I148-I154 HydrophobicContact CG2-CG2 3.66Å; I154-V156 HydrophobicContact CD1-CG2 4.01Å; I154-V156 HydrophobicContact CG1-CG2 4.11Å
155	G	91.8	Very high	89.6	Confident	14 Å²	14	60.8 Å²	60.8	14%	0.144	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.9	170.1	0	0	0	0	0	109.9	V87 G88	V87-G155 CarbonylContact C-O 3.51Å; V87-G155 WeakPolarHBondContact CA-O 3.42Å; G88-G155 PolarHBondContact N-O 2.78Å; G88-G155 PolarHBondContact O-N 3.33Å
156	V	92.3	Very high	89.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.1	178.5	-173.4	0	0	0	0	109.1	V85 F86 V87 F103 L143 N144 I154	V85-V156 HydrophobicContact CB-CG1 4.06Å; V85-V156 HydrophobicContact CG2-CG1 4Å; F86-V156 WeakPolarHBondContact O-CA 3.49Å; V87-V156 HydrophobicContact CG1-CG2 4.36Å; F103-V156 HydrophobicContact CE1-CG1 4.09Å; F103-V156 HydrophobicContact CE1-CG2 4.18Å; F103-V156 HydrophobicContact CZ-CG1 4.46Å; F103-V156 HydrophobicContact CZ-CG2 3.75Å; L143-V156 HydrophobicContact CB-CB 4.49Å; L143-V156 HydrophobicContact CB-CG2 3.9Å; L143-V156 WeakPolarHBondContact O-CG2 3.35Å; N144-V156 HydrophobicContact CB-CB 4.1Å; N144-V156 WeakPolarHBondContact CB-O 3.44Å; N144-V156 VanDerWaalsContact CG-O 3.24Å; N144-V156 PolarHBondContact OD1-N 2.83Å; N144-V156 PolarHBondContact OD1-O 3.25Å; I154-V156 HydrophobicContact CD1-CG2 4.01Å; I154-V156 HydrophobicContact CG1-CG2 4.11Å
157	L	90.4	Very high	89.9	Confident	80 Å²	80	59.5 Å²	59.5	42%	0.419	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	158	-175.6	-62.2	175.6	0	0	0	109.8	V85 F86 C140 S159	V85-L157 CarbonylContact C-O 3.49Å; V85-L157 VanDerWaalsContact CA-O 3.29Å; V85-L157 WeakPolarHBondContact CA-O 3.13Å; V85-L157 WeakPolarHBondContact CB-O 3.37Å; F86-L157 HydrophobicContact CD1-CB 4.48Å; F86-L157 PolarHBondContact N-O 3.48Å; F86-L157 PolarHBondContact O-N 2.9Å; C140-L157 VanDerWaalsContact SG-C 3.52Å; L157-S159 PolarHBondContact O-N 2.96Å
158	K	87.8	Confident	89.9	Confident	102 Å²	102	56.5 Å²	56.5	44%	0.443	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	130.3	172.1	-171.2	-161.5	169.1	-174.4	0	108.9	C140 D248	C140-K158 PolarHBondContact SG-N 3.31Å; C140-K158 VanDerWaalsContact SG-N 3.39Å; K158-D248 IonicContact NZ-OD2 3.26Å; K158-D248 PolarHBondContact NZ-OD2 3.37Å
159	S	86.1	Confident	89.9	Confident	11 Å²	11	56.3 Å²	56.3	8%	0.077	27%	0.274	C	S	.	.			trans	-67.4	144.8	171.6	-166.5	0	0	0	0	110.2	E84 L157	E84-S159 WeakPolarHBondContact O-CB 3.32Å; E84-S159 PolarHBondContact O-N 2.78Å; E84-S159 WeakPolarHBondContact OE1-CB 3.33Å; E84-S159 PolarHBondContact OE1-OG 2.79Å; L157-S159 PolarHBondContact O-N 2.96Å
160	V	79.7	Confident	90	Very high	73 Å²	73	53.1 Å²	53.1	44%	0.442	26%	0.263	S	S	.	.			trans	-125.3	93.9	-179.2	-178.7	0	0	0	0	108.2	N162 P245	V160-N162 PolarHBondContact O-N 2.82Å; V160-P245 HydrophobicContact CG1-CB 3.92Å; V160-P245 HydrophobicContact CG1-CG 4.42Å
161	D	78.5	Confident	90.2	Very high	62 Å²	62	42.2 Å²	42.2	33%	0.332	22%	0.223	S	C	.	.			trans	-59.3	98.4	173	-76.7	-57.7	0	0	0	110.3	C163 H216	D161-C163 VanDerWaalsContact C-N 3.27Å; D161-C163 PolarHBondContact O-N 3.17Å; D161-H216 HydrophobicContact CB-CB 4.47Å
162	N	84.4	Confident	90.3	Very high	22 Å²	22	46.1 Å²	46.1	12%	0.118	22%	0.221	C	C	.	.			trans	-75.4	86.9	171.8	-159.5	-10.3	0	0	0	109.7	V160 R164 H216 W242 A243	V160-N162 PolarHBondContact O-N 2.82Å; N162-R164 VanDerWaalsContact C-N 3.29Å; N162-R164 PolarHBondContact OD1-N 2.82Å; N162-R164 PolarHBondContact OD1-O 2.9Å; N162-R164 VanDerWaalsContact OD1-O 3.06Å; N162-H216 PolarHBondContact O-ND1 2.94Å; N162-W242 HydrophobicContact CB-CE3 4.03Å; N162-W242 HydrophobicContact CB-CZ3 4.19Å; N162-W242 WeakPolarHBondContact O-CZ3 3.15Å; N162-A243 PolarHBondContact ND2-O 2.91Å
163	C	90.2	Very high	90.4	Very high	10 Å²	10	44 Å²	44	7%	0.068	22%	0.221	C	C	.	.			trans	-81.3	-3	175.2	-84.8	0	0	0	0	113.4	K81 D161 Y213 S215 H216	K81-C163 PolarHBondContact NZ-SG 3.01Å; D161-C163 VanDerWaalsContact C-N 3.27Å; D161-C163 PolarHBondContact O-N 3.17Å; C163-Y213 VanDerWaalsContact CB-O 3.32Å; C163-Y213 WeakPolarHBondContact CB-O 3.42Å; C163-Y213 PolarHBondContact O-N 2.81Å; C163-Y213 PolarHBondContact SG-O 3.41Å; C163-Y213 VanDerWaalsContact SG-O 3.4Å; C163-S215 VanDerWaalsContact SG-C 3.5Å; C163-H216 PolarHBondContact SG-N 2.87Å
164	R	93.5	Very high	90.4	Very high	57 Å²	57	41 Å²	41	22%	0.215	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.8	-164.6	-165.4	-179.3	-78	169.2	-3.9	111	N162 F210 V211 E212 A243 E246	N162-R164 VanDerWaalsContact C-N 3.29Å; N162-R164 PolarHBondContact OD1-N 2.82Å; N162-R164 PolarHBondContact OD1-O 2.9Å; N162-R164 VanDerWaalsContact OD1-O 3.06Å; R164-F210 HydrophobicContact CG-CB 3.95Å; R164-F210 HydrophobicContact CG-CD1 4.39Å; R164-V211 CarbonylContact C-O 3.5Å; R164-V211 WeakPolarHBondContact CA-O 3.17Å; R164-E212 IonicContact CZ-OE2 3.06Å; R164-E212 IonicContact NE-OE2 2.7Å; R164-E212 PolarHBondContact NE-OE2 2.82Å; R164-E212 IonicContact NH2-OE2 2.63Å; R164-E212 PolarHBondContact NH2-OE2 3.06Å; R164-A243 HydrophobicContact CB-CB 3.93Å; R164-A243 HydrophobicContact CG-CB 3.87Å; R164-A243 WeakPolarHBondContact O-CB 3.28Å; R164-A243 PolarHBondContact O-N 3.24Å; R164-E246 IonicContact NH1-OE2 2.66Å; R164-E246 PolarHBondContact NH1-OE2 2.88Å
165	L	94.5	Very high	90.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144	173.5	-59.8	-175.6	0	0	0	110.6	F210 V211 Y213 A219 A222 R223 V240 D241 W242	L165-F210 CarbonylContact O-C 3.56Å; L165-F210 VanDerWaalsContact O-CA 3.26Å; L165-F210 WeakPolarHBondContact O-CA 3.44Å; L165-V211 PolarHBondContact N-O 3.31Å; L165-V211 PolarHBondContact O-N 2.94Å; L165-Y213 HydrophobicContact CB-CE2 4.24Å; L165-Y213 HydrophobicContact CD1-CD2 4.45Å; L165-Y213 HydrophobicContact CD1-CE2 3.61Å; L165-Y213 HydrophobicContact CG-CD2 4.26Å; L165-Y213 HydrophobicContact CG-CE2 3.74Å; L165-A219 HydrophobicContact CD2-CB 4.28Å; L165-A219 HydrophobicContact CG-CB 4.34Å; L165-A222 HydrophobicContact CD1-CB 3.75Å; L165-R223 HydrophobicContact CD1-CB 4.28Å; L165-R223 HydrophobicContact CD2-CB 4.06Å; L165-V240 HydrophobicContact CB-CG1 4.13Å; L165-V240 HydrophobicContact CD1-CG1 3.72Å; L165-V240 HydrophobicContact CG-CG1 4.41Å; L165-D241 CarbonylContact C-O 3.55Å; L165-D241 WeakPolarHBondContact CA-O 3.32Å; L165-W242 HydrophobicContact CD2-CD2 4.22Å; L165-W242 HydrophobicContact CD2-CE3 3.49Å; L165-W242 VanDerWaalsContact CD2-CE3 3.49Å; L165-W242 HydrophobicContact CD2-CH2 4.47Å; L165-W242 HydrophobicContact CD2-CZ3 3.63Å
166	Y	94.8	Very high	90.5	Very high	74 Å²	74	48.6 Å²	48.6	29%	0.29	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.8	165.7	173.4	-102.1	0	0	0	109	F208 F210 V240 D241	Y166-F208 HydrophobicContact CD2-CD2 4.28Å; Y166-F208 HydrophobicContact CE2-CB 3.69Å; Y166-F208 HydrophobicContact CE2-CD1 4.49Å; Y166-F208 AromaticContact CE2-CD2 3.55Å; Y166-F208 HydrophobicContact CE2-CD2 3.55Å; Y166-F208 HydrophobicContact CE2-CE2 4.28Å; Y166-F208 AromaticContact CE2-CG 3.67Å; Y166-F208 HydrophobicContact CE2-CG 3.67Å; Y166-F210 HydrophobicContact CD2-CD1 4.24Å; Y166-F210 AromaticContact CD2-CE1 3.71Å; Y166-F210 HydrophobicContact CD2-CE1 3.71Å; Y166-F210 AromaticContact CD2-CZ 3.94Å; Y166-F210 HydrophobicContact CD2-CZ 3.94Å; Y166-F210 HydrophobicContact CG-CE1 4.4Å; Y166-V240 WeakPolarHBondContact O-CA 3.18Å; Y166-D241 PolarHBondContact N-O 3.35Å; Y166-D241 PolarHBondContact O-N 3.42Å
167	V	93.6	Very high	90.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.2	176.9	-177.4	0	0	0	0	109.1	I170 M183 F208 A209 V211 I238 T239 V240	V167-I170 HydrophobicContact CB-CD1 4.35Å; V167-I170 HydrophobicContact CG1-CD1 4.1Å; V167-I170 HydrophobicContact CG1-CG1 4.13Å; V167-M183 HydrophobicContact CG1-CE 3.84Å; V167-M183 HydrophobicContact CG2-CE 4.22Å; V167-M183 HydrophobicContact CG2-SD 4.42Å; V167-F208 CarbonylContact O-C 3.57Å; V167-F208 WeakPolarHBondContact O-CA 3.45Å; V167-F208 VanDerWaalsContact O-CB 3.27Å; V167-F208 WeakPolarHBondContact O-CB 3.37Å; V167-A209 PolarHBondContact N-O 2.82Å; V167-A209 PolarHBondContact O-N 2.99Å; V167-V211 HydrophobicContact CG2-CG2 3.74Å; V167-I238 HydrophobicContact CG1-CB 4.42Å; V167-I238 HydrophobicContact CG1-CD1 4.27Å; V167-T239 WeakPolarHBondContact CA-O 3.47Å; V167-V240 HydrophobicContact CG1-CG2 4.31Å; V167-V240 HydrophobicContact CG2-CG1 4.36Å; V167-V240 HydrophobicContact CG2-CG2 4.12Å
168	S	92.9	Very high	90.8	Very high	31 Å²	31	52 Å²	52	22%	0.217	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	160.5	175.9	118.5	0	0	0	0	111.2	I238 T239	S168-I238 VanDerWaalsContact O-CA 3.24Å; S168-I238 WeakPolarHBondContact O-CA 3.38Å; S168-I238 WeakPolarHBondContact O-CB 3.32Å; S168-T239 VanDerWaalsContact CB-OG1 3.29Å; S168-T239 WeakPolarHBondContact CB-OG1 3.35Å; S168-T239 PolarHBondContact N-O 2.88Å; S168-T239 PolarHBondContact O-N 3.34Å; S168-T239 PolarHBondContact OG-OG1 2.97Å
169	G	91.5	Very high	91.1	Very high	22 Å²	22	47.2 Å²	47.2	23%	0.227	24%	0.238	C	C	.	.			trans	98.8	-3	-177.1	0	0	0	0	0	114.3	G207 N236	G169-G207 PolarHBondContact N-O 3.18Å; G169-G207 VanDerWaalsContact N-O 3.09Å; G169-N236 VanDerWaalsContact O-CB 3.22Å; G169-N236 WeakPolarHBondContact O-CB 3.33Å; G169-N236 PolarHBondContact O-ND2 3.38Å
170	I	93.1	Very high	91.5	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	25%	0.247	C	C	.	.			trans	-62	130.2	-177.2	-56.5	178.4	0	0	0	110.4	V167 K174 V179 G207 A209 W234	V167-I170 HydrophobicContact CB-CD1 4.35Å; V167-I170 HydrophobicContact CG1-CD1 4.1Å; V167-I170 HydrophobicContact CG1-CG1 4.13Å; I170-K174 HydrophobicContact CG2-CB 4.12Å; I170-V179 HydrophobicContact CD1-CG1 4.05Å; I170-V179 HydrophobicContact CD1-CG2 4.12Å; I170-V179 HydrophobicContact CG2-CG2 3.76Å; I170-G207 PolarHBondContact N-O 2.83Å; I170-G207 WeakPolarHBondContact O-CA 3.12Å; I170-A209 HydrophobicContact CD1-CB 3.47Å; I170-A209 VanDerWaalsContact CD1-CB 3.47Å; I170-W234 HydrophobicContact CG1-CZ3 4.39Å; I170-W234 HydrophobicContact CG2-CZ3 4.12Å
171	P	92.9	Very high	92.2	Very high	14 Å²	14	50.9 Å²	50.9	9%	0.091	26%	0.255	C	S	.	.			trans	-58.1	141.1	175.3	-19.4	27.5	0	0	0	112.1	D173 K174 N205 W234	P171-D173 WeakPolarHBondContact CB-OD1 3.46Å; P171-D173 PolarHBondContact O-N 3.49Å; P171-K174 HydrophobicContact CB-CG 3.97Å; P171-K174 HydrophobicContact CG-CG 4.08Å; P171-K174 PolarHBondContact O-N 2.85Å; P171-N205 PolarHBondContact O-ND2 3.11Å; P171-W234 HydrophobicContact CG-CB 3.72Å; P171-W234 HydrophobicContact CG-CD2 4.29Å; P171-W234 HydrophobicContact CG-CE3 4Å; P171-W234 HydrophobicContact CG-CG 4.24Å
172	R	92.7	Very high	92.9	Very high	134 Å²	134	49 Å²	49	51%	0.506	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.2	-169.4	-67.7	-169.4	-179.1	-71	-4.5	114.8	K204 N205 R206	R172-K204 HydrophobicContact CB-CB 4.28Å; R172-K204 HydrophobicContact CB-CG 4.48Å; R172-K204 CarbonylContact O-C 3.44Å; R172-K204 VanDerWaalsContact O-CA 3.28Å; R172-K204 WeakPolarHBondContact O-CA 3.22Å; R172-N205 PolarHBondContact NH1-O 3.01Å; R172-N205 PolarHBondContact O-N 2.72Å; R172-N205 PolarHBondContact O-ND2 2.88Å; R172-R206 PolarHBondContact NH1-O 3.45Å
173	D	92.1	Very high	93.3	Very high	104 Å²	104	48 Å²	48	56%	0.556	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.5	178.5	54.6	-71.4	0	0	0	113.9	P171	P171-D173 WeakPolarHBondContact CB-OD1 3.46Å; P171-D173 PolarHBondContact O-N 3.49Å
174	K	93.1	Very high	93.5	Very high	45 Å²	45	50.4 Å²	50.4	20%	0.196	26%	0.256	C	S	.	.			trans	-75.9	141.1	-177.1	-65.2	-77.1	165.9	-82.3	0	111.9	I170 P171 D178 V179 L195 N205 W234	I170-K174 HydrophobicContact CG2-CB 4.12Å; P171-K174 HydrophobicContact CB-CG 3.97Å; P171-K174 HydrophobicContact CG-CG 4.08Å; P171-K174 PolarHBondContact O-N 2.85Å; K174-D178 HydrophobicContact CB-CB 4.3Å; K174-D178 HydrophobicContact CD-CB 3.85Å; K174-V179 HydrophobicContact CB-CG2 4.39Å; K174-L195 WeakPolarHBondContact O-CD2 3.39Å; K174-N205 PolarHBondContact O-ND2 3.09Å; K174-W234 HydrophobicContact CD-CD2 4.21Å; K174-W234 HydrophobicContact CD-CG 4.28Å; K174-W234 HydrophobicContact CD-CZ2 4.44Å; K174-W234 HydrophobicContact CG-CD2 4.33Å
175	T	93.1	Very high	93.5	Very high	71 Å²	71	55.9 Å²	55.9	44%	0.436	28%	0.276	S	S	.	.			trans	-86.1	172.7	176	68	0	0	0	0	111.9	D177 D178 V179	T175-D177 PolarHBondContact O-N 3.33Å; T175-D177 PolarHBondContact OG1-N 3.48Å; T175-D178 WeakPolarHBondContact CB-OD2 3.41Å; T175-D178 WeakPolarHBondContact CG2-OD2 3.48Å; T175-D178 PolarHBondContact N-OD2 3.45Å; T175-D178 PolarHBondContact OG1-N 3.36Å; T175-D178 VanDerWaalsContact OG1-N 3.15Å; T175-D178 PolarHBondContact OG1-OD2 3Å; T175-V179 WeakPolarHBondContact O-CG2 3.16Å; T175-V179 PolarHBondContact O-N 3.33Å
176	R	93.3	Very high	93.3	Very high	104 Å²	104	57.5 Å²	57.5	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-56.8	-42.6	172	166.9	172.1	171.2	-97.3	15.3	111.1	V179 K180 D192 V193 L195	R176-V179 PolarHBondContact O-N 2.97Å; R176-K180 PolarHBondContact O-N 3.03Å; R176-D192 IonicContact CZ-OD1 3.85Å; R176-D192 IonicContact NE-OD1 3.37Å; R176-D192 PolarHBondContact NE-OD1 2.82Å; R176-D192 IonicContact NH2-OD1 3.66Å; R176-D192 PolarHBondContact NH2-OD1 2.86Å; R176-V193 WeakPolarHBondContact CD-O 3.39Å; R176-V193 HydrophobicContact CG-CB 4.27Å; R176-V193 VanDerWaalsContact CG-O 3.3Å; R176-V193 WeakPolarHBondContact CG-O 3.4Å; R176-V193 PolarHBondContact NE-O 2.72Å; R176-L195 HydrophobicContact CB-CB 4.29Å
177	D	94.5	Very high	93.2	Very high	85 Å²	85	54.4 Å²	54.4	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-80.5	-31.8	-170.1	-52.1	-75.4	0	0	0	111.5	T175 V179 K180 V181	T175-D177 PolarHBondContact O-N 3.33Å; T175-D177 PolarHBondContact OG1-N 3.48Å; D177-V179 VanDerWaalsContact C-N 3.33Å; D177-V179 PolarHBondContact O-N 3.17Å; D177-K180 PolarHBondContact O-N 3.23Å; D177-V181 WeakPolarHBondContact O-CG2 3.16Å; D177-V181 PolarHBondContact O-N 2.95Å
178	D	94	Very high	93.2	Very high	68 Å²	68	62.4 Å²	62.4	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-55.6	-47.7	165.9	-65.3	-58.6	0	0	0	111.5	K174 T175 E182	K174-D178 HydrophobicContact CB-CB 4.3Å; K174-D178 HydrophobicContact CD-CB 3.85Å; T175-D178 WeakPolarHBondContact CB-OD2 3.41Å; T175-D178 WeakPolarHBondContact CG2-OD2 3.48Å; T175-D178 PolarHBondContact N-OD2 3.45Å; T175-D178 PolarHBondContact OG1-N 3.36Å; T175-D178 VanDerWaalsContact OG1-N 3.15Å; T175-D178 PolarHBondContact OG1-OD2 3Å; D178-E182 PolarHBondContact O-N 2.92Å; D178-E182 VanDerWaalsContact O-N 3.1Å
179	V	94.1	Very high	93.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.2	-38.3	179.5	178.2	0	0	0	0	110.4	I170 K174 T175 R176 D177 E182 M183 V193 A209 W234	I170-V179 HydrophobicContact CD1-CG1 4.05Å; I170-V179 HydrophobicContact CD1-CG2 4.12Å; I170-V179 HydrophobicContact CG2-CG2 3.76Å; K174-V179 HydrophobicContact CB-CG2 4.39Å; T175-V179 WeakPolarHBondContact O-CG2 3.16Å; T175-V179 PolarHBondContact O-N 3.33Å; R176-V179 PolarHBondContact O-N 2.97Å; D177-V179 VanDerWaalsContact C-N 3.33Å; D177-V179 PolarHBondContact O-N 3.17Å; V179-E182 PolarHBondContact O-N 3.28Å; V179-M183 HydrophobicContact CG1-CG 4.07Å; V179-M183 VanDerWaalsContact O-CB 3.31Å; V179-M183 WeakPolarHBondContact O-CB 3.49Å; V179-M183 WeakPolarHBondContact O-CG 3.49Å; V179-M183 PolarHBondContact O-N 3.28Å; V179-V193 HydrophobicContact CB-CG1 4.04Å; V179-V193 HydrophobicContact CG1-CG1 3.69Å; V179-V193 HydrophobicContact CG1-CG2 4.47Å; V179-A209 HydrophobicContact CG1-CB 4.38Å; V179-W234 HydrophobicContact CB-CH2 4.37Å; V179-W234 HydrophobicContact CG2-CH2 3.88Å; V179-W234 HydrophobicContact CG2-CZ2 4.42Å
180	K	95.3	Very high	93.4	Very high	60 Å²	60	62.1 Å²	62.1	26%	0.261	31%	0.309	S	S	.	.	H	α-helix	trans	-65.1	-43.9	176.6	-172.3	168.7	179.4	170.9	0	112.1	R176 D177 S184 V190 V191 V193	R176-K180 PolarHBondContact O-N 3.03Å; D177-K180 PolarHBondContact O-N 3.23Å; K180-S184 VanDerWaalsContact O-CB 3.31Å; K180-S184 WeakPolarHBondContact O-CB 3.37Å; K180-S184 PolarHBondContact O-N 3.35Å; K180-S184 PolarHBondContact O-OG 3.21Å; K180-S184 VanDerWaalsContact O-OG 3.07Å; K180-V190 HydrophobicContact CG-CG1 4.35Å; K180-V191 PolarHBondContact NZ-O 3.22Å; K180-V193 HydrophobicContact CB-CB 4.34Å; K180-V193 HydrophobicContact CB-CG2 3.77Å; K180-V193 HydrophobicContact CG-CG2 4.15Å
181	V	94.7	Very high	93.5	Very high	101 Å²	101	65.7 Å²	65.7	61%	0.612	33%	0.331	S	S	*	.	H	α-helix	trans	-60.3	-47.8	176.1	169.5	0	0	0	0	110.7	D177 S184 R185	D177-V181 WeakPolarHBondContact O-CG2 3.16Å; D177-V181 PolarHBondContact O-N 2.95Å; V181-S184 PolarHBondContact O-N 3.37Å; V181-R185 WeakPolarHBondContact O-CB 3.47Å; V181-R185 PolarHBondContact O-N 3.17Å
182	E	92.4	Very high	93.6	Very high	24 Å²	24	67.1 Å²	67.1	11%	0.112	34%	0.338	C	S	.	.	H	α-helix	trans	-69.5	-38.3	-177.7	-172.7	66.4	172.5	0	0	112.8	D178 V179 R185 L186 L233 W234	D178-E182 PolarHBondContact O-N 2.92Å; D178-E182 VanDerWaalsContact O-N 3.1Å; V179-E182 PolarHBondContact O-N 3.28Å; E182-R185 VanDerWaalsContact CD-NH2 3.3Å; E182-R185 PolarHBondContact O-N 3.34Å; E182-R185 IonicContact OE1-CZ 2.71Å; E182-R185 IonicContact OE1-NE 2.75Å; E182-R185 IonicContact OE1-NH2 3.84Å; E182-R185 PolarHBondContact OE1-NH2 3.08Å; E182-R185 IonicContact OE2-CZ 2.72Å; E182-R185 IonicContact OE2-NE 2.67Å; E182-R185 PolarHBondContact OE2-NE 2.94Å; E182-R185 IonicContact OE2-NH2 2.94Å; E182-R185 PolarHBondContact OE2-NH2 2.87Å; E182-R185 VanDerWaalsContact OE2-NH2 3.13Å; E182-L186 HydrophobicContact CG-CD1 4.2Å; E182-L186 WeakPolarHBondContact O-CG 3.38Å; E182-L186 PolarHBondContact O-N 3.23Å; E182-L233 HydrophobicContact CG-CD1 3.94Å; E182-L233 HydrophobicContact CG-CD2 4.31Å; E182-W234 HydrophobicContact CB-CH2 4.15Å; E182-W234 HydrophobicContact CB-CZ2 3.54Å; E182-W234 HydrophobicContact CG-CH2 4.22Å; E182-W234 HydrophobicContact CG-CZ2 3.76Å
183	M	92.9	Very high	93.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-43.9	174.9	-68.5	-70.2	150.5	0	0	111.4	V167 V179 R185 L186 T187 V190 V211 L226 L233 I238	V167-M183 HydrophobicContact CG1-CE 3.84Å; V167-M183 HydrophobicContact CG2-CE 4.22Å; V167-M183 HydrophobicContact CG2-SD 4.42Å; V179-M183 HydrophobicContact CG1-CG 4.07Å; V179-M183 VanDerWaalsContact O-CB 3.31Å; V179-M183 WeakPolarHBondContact O-CB 3.49Å; V179-M183 WeakPolarHBondContact O-CG 3.49Å; V179-M183 PolarHBondContact O-N 3.28Å; M183-R185 VanDerWaalsContact C-N 3.29Å; M183-R185 PolarHBondContact O-N 3.24Å; M183-L186 PolarHBondContact O-N 2.89Å; M183-T187 PolarHBondContact O-N 3.07Å; M183-T187 PolarHBondContact O-OG1 3.35Å; M183-V190 HydrophobicContact CB-CG2 4.19Å; M183-V211 HydrophobicContact CB-CG1 4.31Å; M183-V211 HydrophobicContact CG-CG1 4.39Å; M183-V211 HydrophobicContact CG-CG2 3.9Å; M183-V211 HydrophobicContact SD-CG2 4.13Å; M183-L226 HydrophobicContact SD-CD1 4Å; M183-L233 HydrophobicContact CE-CD1 3.68Å; M183-I238 HydrophobicContact CE-CD1 4.33Å
184	S	94.3	Very high	93.8	Very high	61 Å²	61	57.3 Å²	57.3	43%	0.427	30%	0.295	S	S	.	.	H	α-helix	trans	-66.3	-27.7	174.7	-65.2	0	0	0	0	113.4	K180 V181 L186 T187	K180-S184 VanDerWaalsContact O-CB 3.31Å; K180-S184 WeakPolarHBondContact O-CB 3.37Å; K180-S184 PolarHBondContact O-N 3.35Å; K180-S184 PolarHBondContact O-OG 3.21Å; K180-S184 VanDerWaalsContact O-OG 3.07Å; V181-S184 PolarHBondContact O-N 3.37Å; S184-L186 VanDerWaalsContact C-N 3.3Å; S184-T187 WeakPolarHBondContact CA-O 3.44Å
185	R	92.9	Very high	93.8	Very high	171 Å²	171	56.6 Å²	56.6	65%	0.645	29%	0.294	S	S	*	.	H	α-helix	trans	-69.2	-29.2	173.8	-171.2	175.6	75.8	95.7	-2.1	112.2	V181 E182 M183	V181-R185 WeakPolarHBondContact O-CB 3.47Å; V181-R185 PolarHBondContact O-N 3.17Å; E182-R185 VanDerWaalsContact CD-NH2 3.3Å; E182-R185 PolarHBondContact O-N 3.34Å; E182-R185 IonicContact OE1-CZ 2.71Å; E182-R185 IonicContact OE1-NE 2.75Å; E182-R185 IonicContact OE1-NH2 3.84Å; E182-R185 PolarHBondContact OE1-NH2 3.08Å; E182-R185 IonicContact OE2-CZ 2.72Å; E182-R185 IonicContact OE2-NE 2.67Å; E182-R185 PolarHBondContact OE2-NE 2.94Å; E182-R185 IonicContact OE2-NH2 2.94Å; E182-R185 PolarHBondContact OE2-NH2 2.87Å; E182-R185 VanDerWaalsContact OE2-NH2 3.13Å; M183-R185 VanDerWaalsContact C-N 3.29Å; M183-R185 PolarHBondContact O-N 3.24Å
186	L	90.7	Very high	93.6	Very high	34 Å²	34	56 Å²	56	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-101.3	-28.3	-175.6	-66	167.8	0	0	0	113.1	E182 M183 S184 K225 L226 L231 L233	E182-L186 HydrophobicContact CG-CD1 4.2Å; E182-L186 WeakPolarHBondContact O-CG 3.38Å; E182-L186 PolarHBondContact O-N 3.23Å; M183-L186 PolarHBondContact O-N 2.89Å; S184-L186 VanDerWaalsContact C-N 3.3Å; L186-K225 WeakPolarHBondContact O-CD 3.49Å; L186-K225 WeakPolarHBondContact O-CE 3.22Å; L186-K225 PolarHBondContact O-NZ 3.47Å; L186-L226 HydrophobicContact CB-CD2 4.2Å; L186-L226 HydrophobicContact CD1-CD2 4.2Å; L186-L231 HydrophobicContact CD1-CD2 3.94Å; L186-L233 HydrophobicContact CD1-CD1 4.11Å; L186-L233 HydrophobicContact CD1-CD2 3.63Å
187	T	92.9	Very high	93.5	Very high	9 Å²	9	53.1 Å²	53.1	6%	0.055	28%	0.278	C	S	.	.	S	Bend	trans	-142.1	144.2	-169.4	59.9	0	0	0	0	112.2	M183 S184 Y213 A222 L226	M183-T187 PolarHBondContact O-N 3.07Å; M183-T187 PolarHBondContact O-OG1 3.35Å; S184-T187 WeakPolarHBondContact CA-O 3.44Å; T187-Y213 PolarHBondContact OG1-OH 2.76Å; T187-A222 HydrophobicContact CG2-CB 3.68Å; T187-L226 HydrophobicContact CG2-CD1 3.86Å; T187-L226 HydrophobicContact CG2-CD2 4.2Å; T187-L226 HydrophobicContact CG2-CG 3.95Å
188	E	93.4	Very high	93.2	Very high	169 Å²	169	50.2 Å²	50.2	79%	0.79	27%	0.265	S	S	*	.	S	Bend	trans	-89.5	150.7	-175.2	-69.1	163.7	-152.1	0	0	112	Y213	E188-Y213 WeakPolarHBondContact O-CD1 3.48Å
189	G	93.5	Very high	92.7	Very high	28 Å²	28	47.5 Å²	47.5	29%	0.289	25%	0.252	S	S	.	.			trans	76.3	22.5	173.6	0	0	0	0	0	115.8	V191 Y213 E214	G189-V191 PolarHBondContact O-N 3.35Å; G189-Y213 CarbonylContact O-C 3.54Å; G189-Y213 VanDerWaalsContact O-CA 3.24Å; G189-Y213 WeakPolarHBondContact O-CA 3.33Å; G189-E214 PolarHBondContact O-N 3.38Å
190	V	96.1	Very high	92.1	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.115	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	113.1	174	178	0	0	0	0	110.6	K180 M183 V193 V211 Y213	K180-V190 HydrophobicContact CG-CG1 4.35Å; M183-V190 HydrophobicContact CB-CG2 4.19Å; V190-V193 HydrophobicContact CG1-CG2 4.34Å; V190-V211 HydrophobicContact CG1-CG1 3.84Å; V190-V211 HydrophobicContact CG2-CG1 4.17Å; V190-Y213 HydrophobicContact CG2-CD1 4.05Å; V190-Y213 HydrophobicContact CG2-CE1 3.48Å; V190-Y213 VanDerWaalsContact CG2-CE1 3.48Å
191	V	94.7	Very high	91.7	Very high	78 Å²	78	53.3 Å²	53.3	47%	0.473	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-52.3	179.5	175.6	0	0	0	0	111	K180 G189 E212 E214	K180-V191 PolarHBondContact NZ-O 3.22Å; G189-V191 PolarHBondContact O-N 3.35Å; V191-E212 PolarHBondContact N-O 2.83Å; V191-E214 HydrophobicContact CG2-CB 3.96Å
192	D	94.2	Very high	91.2	Very high	45 Å²	45	51 Å²	51	24%	0.241	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.2	-177.1	-167.9	31.8	0	0	0	112.9	R176 E212	R176-D192 IonicContact CZ-OD1 3.85Å; R176-D192 IonicContact NE-OD1 3.37Å; R176-D192 PolarHBondContact NE-OD1 2.82Å; R176-D192 IonicContact NH2-OD1 3.66Å; R176-D192 PolarHBondContact NH2-OD1 2.86Å; D192-E212 HydrophobicContact CB-CB 4.46Å; D192-E212 PolarHBondContact N-O 3.25Å; D192-E212 PolarHBondContact O-N 2.9Å
193	V	95.6	Very high	90.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	120	171.2	176.7	0	0	0	0	108.9	R176 V179 K180 V190 A209 F210 V211	R176-V193 WeakPolarHBondContact CD-O 3.39Å; R176-V193 HydrophobicContact CG-CB 4.27Å; R176-V193 VanDerWaalsContact CG-O 3.3Å; R176-V193 WeakPolarHBondContact CG-O 3.4Å; R176-V193 PolarHBondContact NE-O 2.72Å; V179-V193 HydrophobicContact CB-CG1 4.04Å; V179-V193 HydrophobicContact CG1-CG1 3.69Å; V179-V193 HydrophobicContact CG1-CG2 4.47Å; K180-V193 HydrophobicContact CB-CB 4.34Å; K180-V193 HydrophobicContact CB-CG2 3.77Å; K180-V193 HydrophobicContact CG-CG2 4.15Å; V190-V193 HydrophobicContact CG1-CG2 4.34Å; V193-A209 HydrophobicContact CG1-CB 3.98Å; V193-F210 CarbonylContact C-O 3.59Å; V193-F210 WeakPolarHBondContact CA-O 3.29Å; V193-V211 HydrophobicContact CG2-CG1 4.29Å; V193-V211 HydrophobicContact CG2-CG2 4.33Å
194	I	93.2	Very high	90.7	Very high	31 Å²	31	58.6 Å²	58.6	16%	0.159	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	100.3	178	-52.9	171.6	0	0	0	108.1	Y196 A209 F210	I194-Y196 HydrophobicContact CG2-CD1 4.2Å; I194-Y196 HydrophobicContact CG2-CE1 3.42Å; I194-Y196 VanDerWaalsContact CG2-CE1 3.42Å; I194-Y196 HydrophobicContact CG2-CE2 4.49Å; I194-A209 WeakPolarHBondContact O-CA 3.43Å; I194-F210 HydrophobicContact CB-CB 4.29Å; I194-F210 PolarHBondContact N-O 2.97Å; I194-F210 PolarHBondContact O-N 3.04Å
195	L	93.1	Very high	90.6	Very high	31 Å²	31	56 Å²	56	16%	0.162	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.1	178.3	-173.8	73.9	0	0	0	109.9	K174 R176 N205 F208 A209	K174-L195 WeakPolarHBondContact O-CD2 3.39Å; R176-L195 HydrophobicContact CB-CB 4.29Å; L195-N205 HydrophobicContact CD1-CB 3.82Å; L195-N205 HydrophobicContact CD2-CB 3.83Å; L195-N205 HydrophobicContact CG-CB 3.8Å; L195-F208 WeakPolarHBondContact CD1-O 3.31Å; L195-A209 HydrophobicContact CD1-CB 3.81Å
196	Y	90.6	Very high	90.6	Very high	59 Å²	59	51.6 Å²	51.6	23%	0.231	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129	-177.6	-65.2	-41.3	0	0	0	113.2	I194 N205 R206 F208 F210 R263	I194-Y196 HydrophobicContact CG2-CD1 4.2Å; I194-Y196 HydrophobicContact CG2-CE1 3.42Å; I194-Y196 VanDerWaalsContact CG2-CE1 3.42Å; I194-Y196 HydrophobicContact CG2-CE2 4.49Å; Y196-N205 WeakPolarHBondContact O-CA 3.46Å; Y196-R206 WeakPolarHBondContact O-CG 3.37Å; Y196-R206 PolarHBondContact O-N 3.27Å; Y196-F208 AromaticContact CD2-CE2 3.99Å; Y196-F208 HydrophobicContact CD2-CE2 3.99Å; Y196-F208 HydrophobicContact CD2-CZ 4.34Å; Y196-F210 HydrophobicContact CE2-CD2 4.2Å; Y196-F210 AromaticContact CE2-CE2 3.88Å; Y196-F210 HydrophobicContact CE2-CE2 3.88Å; Y196-R263 PolarHBondContact OH-NH1 2.85Å
197	P	90	Very high	90.7	Very high	42 Å²	42	50.6 Å²	50.6	27%	0.273	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	144.9	168.5	-23.3	33.7	0	0	0	112	R206	P197-R206 VanDerWaalsContact O-CZ 3.26Å; P197-R206 PolarHBondContact O-NE 3.23Å; P197-R206 PolarHBondContact O-NH2 2.91Å
198	S	88.3	Confident	90.8	Very high	25 Å²	25	52.5 Å²	52.5	18%	0.175	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-66	136.4	174.4	172.2	0	0	0	0	110.5	V200 D201 K204	S198-V200 PolarHBondContact O-N 3.43Å; S198-V200 PolarHBondContact OG-N 3.49Å; S198-D201 WeakPolarHBondContact CB-O 3.47Å; S198-D201 CarbonylContact O-C 3.52Å; S198-D201 PolarHBondContact O-N 3.15Å; S198-K204 VanDerWaalsContact CB-O 3.31Å; S198-K204 WeakPolarHBondContact CB-O 3.29Å; S198-K204 PolarHBondContact N-O 2.98Å
199	A	82.9	Confident	90.9	Very high	11 Å²	11	44.5 Å²	44.5	9%	0.091	25%	0.249	C	C	.	.	S	Bend	trans	-67	-18.1	179.9	0	0	0	0	0	113.4	M267 D295	A199-M267 HydrophobicContact CB-CE 3.97Å; A199-M267 WeakPolarHBondContact O-CE 3.16Å; A199-M267 WeakPolarHBondContact O-CG 3.13Å; A199-D295 HydrophobicContact CB-CB 3.98Å
200	V	82.8	Confident	91	Very high	127 Å²	127	45.2 Å²	45.2	77%	0.77	24%	0.244	S	C	*	.	S	Bend	trans	-93.3	-34.2	178.4	-178.4	0	0	0	0	111.7	S198	S198-V200 PolarHBondContact O-N 3.43Å; S198-V200 PolarHBondContact OG-N 3.49Å
201	D	85.6	Confident	91	Very high	55 Å²	55	44.3 Å²	44.3	29%	0.294	24%	0.239	S	C	.	.			trans	-148	99.3	-170.5	175.2	1.4	0	0	0	109	S198 S203 K204	S198-D201 WeakPolarHBondContact CB-O 3.47Å; S198-D201 CarbonylContact O-C 3.52Å; S198-D201 PolarHBondContact O-N 3.15Å; D201-S203 VanDerWaalsContact CG-OG 3.28Å; D201-S203 PolarHBondContact O-N 2.88Å; D201-S203 VanDerWaalsContact O-N 3.16Å; D201-S203 WeakPolarHBondContact OD1-CB 3.26Å; D201-S203 PolarHBondContact OD1-N 2.7Å; D201-S203 PolarHBondContact OD1-OG 2.76Å; D201-S203 PolarHBondContact OD2-OG 2.89Å; D201-K204 PolarHBondContact O-N 3.44Å; D201-K204 VanDerWaalsContact O-N 3.08Å; D201-K204 WeakPolarHBondContact OD2-CD 3.29Å; D201-K204 WeakPolarHBondContact OD2-CE 3.38Å; D201-K204 IonicContact OD2-NZ 3.76Å; D201-K204 PolarHBondContact OD2-NZ 2.84Å
202	K	85.1	Confident	91	Very high	53 Å²	53	43.2 Å²	43.2	23%	0.23	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.8	-175.1	-68.2	175.2	-176.4	-85.9	0	113.8	K204 N264 L265 M266 S322	K202-K204 PolarHBondContact O-N 2.89Å; K202-N264 VanDerWaalsContact NZ-C 3.35Å; K202-N264 PolarHBondContact NZ-O 3.23Å; K202-N264 PolarHBondContact NZ-OD1 2.92Å; K202-L265 WeakPolarHBondContact CE-O 3.37Å; K202-L265 PolarHBondContact NZ-O 2.67Å; K202-M266 HydrophobicContact CD-CE 3.84Å; K202-M266 HydrophobicContact CD-SD 3.69Å; K202-M266 WeakPolarHBondContact CE-SD 3.43Å; K202-S322 WeakPolarHBondContact CD-OG 3.47Å; K202-S322 VanDerWaalsContact CE-OG 3.32Å; K202-S322 WeakPolarHBondContact CE-OG 3.47Å; K202-S322 PolarHBondContact NZ-OG 3.39Å
203	S	85.2	Confident	91	Very high	91 Å²	91	41.1 Å²	41.1	64%	0.636	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.1	171.5	73.4	0	0	0	0	113.2	D201	D201-S203 VanDerWaalsContact CG-OG 3.28Å; D201-S203 PolarHBondContact O-N 2.88Å; D201-S203 VanDerWaalsContact O-N 3.16Å; D201-S203 WeakPolarHBondContact OD1-CB 3.26Å; D201-S203 PolarHBondContact OD1-N 2.7Å; D201-S203 PolarHBondContact OD1-OG 2.76Å; D201-S203 PolarHBondContact OD2-OG 2.89Å
204	K	89.6	Confident	90.9	Very high	91 Å²	91	47.2 Å²	47.2	40%	0.396	25%	0.246	S	C	.	.	S	Bend	trans	-117.6	145.8	-175.5	-68.5	179.5	-173.8	63.4	0	111.5	R172 S198 D201 K202	R172-K204 HydrophobicContact CB-CB 4.28Å; R172-K204 HydrophobicContact CB-CG 4.48Å; R172-K204 CarbonylContact O-C 3.44Å; R172-K204 VanDerWaalsContact O-CA 3.28Å; R172-K204 WeakPolarHBondContact O-CA 3.22Å; S198-K204 VanDerWaalsContact CB-O 3.31Å; S198-K204 WeakPolarHBondContact CB-O 3.29Å; S198-K204 PolarHBondContact N-O 2.98Å; D201-K204 PolarHBondContact O-N 3.44Å; D201-K204 VanDerWaalsContact O-N 3.08Å; D201-K204 WeakPolarHBondContact OD2-CD 3.29Å; D201-K204 WeakPolarHBondContact OD2-CE 3.38Å; D201-K204 IonicContact OD2-NZ 3.76Å; D201-K204 PolarHBondContact OD2-NZ 2.84Å; K202-K204 PolarHBondContact O-N 2.89Å
205	N	92.5	Very high	90.6	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	169.9	172.3	75.2	54.4	0	0	0	112.5	P171 R172 K174 L195 Y196 G207	P171-N205 PolarHBondContact O-ND2 3.11Å; R172-N205 PolarHBondContact NH1-O 3.01Å; R172-N205 PolarHBondContact O-N 2.72Å; R172-N205 PolarHBondContact O-ND2 2.88Å; K174-N205 PolarHBondContact O-ND2 3.09Å; L195-N205 HydrophobicContact CD1-CB 3.82Å; L195-N205 HydrophobicContact CD2-CB 3.83Å; L195-N205 HydrophobicContact CG-CB 3.8Å; Y196-N205 WeakPolarHBondContact O-CA 3.46Å; N205-G207 VanDerWaalsContact C-N 3.31Å; N205-G207 PolarHBondContact O-N 3.45Å; N205-G207 WeakPolarHBondContact OD1-CA 3.33Å; N205-G207 PolarHBondContact OD1-N 3.42Å
206	R	92.6	Very high	90.3	Very high	78 Å²	78	48.6 Å²	48.6	29%	0.294	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-12.3	-178.3	-71.3	179.3	-160.8	-151.5	-5.4	115	R172 Y196 P197 F208 D295	R172-R206 PolarHBondContact NH1-O 3.45Å; Y196-R206 WeakPolarHBondContact O-CG 3.37Å; Y196-R206 PolarHBondContact O-N 3.27Å; P197-R206 VanDerWaalsContact O-CZ 3.26Å; P197-R206 PolarHBondContact O-NE 3.23Å; P197-R206 PolarHBondContact O-NH2 2.91Å; R206-F208 HydrophobicContact CB-CD1 3.84Å; R206-F208 HydrophobicContact CB-CE1 3.5Å; R206-F208 VanDerWaalsContact CB-CE1 3.5Å; R206-F208 HydrophobicContact CB-CZ 4.07Å; R206-F208 HydrophobicContact CG-CE1 4.38Å; R206-D295 IonicContact CZ-OD2 2.81Å; R206-D295 IonicContact NH1-OD2 3.99Å; R206-D295 PolarHBondContact NH1-OD2 3.21Å; R206-D295 IonicContact NH2-OD2 3.93Å; R206-D295 PolarHBondContact NH2-OD2 3.27Å
207	G	92.8	Very high	90.1	Very high	14 Å²	14	55.1 Å²	55.1	14%	0.144	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.3	9.1	-174.4	0	0	0	0	0	114.2	G169 I170 N205	G169-G207 PolarHBondContact N-O 3.18Å; G169-G207 VanDerWaalsContact N-O 3.09Å; I170-G207 PolarHBondContact N-O 2.83Å; I170-G207 WeakPolarHBondContact O-CA 3.12Å; N205-G207 VanDerWaalsContact C-N 3.31Å; N205-G207 PolarHBondContact O-N 3.45Å; N205-G207 WeakPolarHBondContact OD1-CA 3.33Å; N205-G207 PolarHBondContact OD1-N 3.42Å
208	F	94.5	Very high	90.2	Very high	49 Å²	49	54.6 Å²	54.6	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.7	178.5	68.3	-97.3	0	0	0	110.8	Y166 V167 L195 Y196 R206 F210	Y166-F208 HydrophobicContact CD2-CD2 4.28Å; Y166-F208 HydrophobicContact CE2-CB 3.69Å; Y166-F208 HydrophobicContact CE2-CD1 4.49Å; Y166-F208 AromaticContact CE2-CD2 3.55Å; Y166-F208 HydrophobicContact CE2-CD2 3.55Å; Y166-F208 HydrophobicContact CE2-CE2 4.28Å; Y166-F208 AromaticContact CE2-CG 3.67Å; Y166-F208 HydrophobicContact CE2-CG 3.67Å; V167-F208 CarbonylContact O-C 3.57Å; V167-F208 WeakPolarHBondContact O-CA 3.45Å; V167-F208 VanDerWaalsContact O-CB 3.27Å; V167-F208 WeakPolarHBondContact O-CB 3.37Å; L195-F208 WeakPolarHBondContact CD1-O 3.31Å; Y196-F208 AromaticContact CD2-CE2 3.99Å; Y196-F208 HydrophobicContact CD2-CE2 3.99Å; Y196-F208 HydrophobicContact CD2-CZ 4.34Å; R206-F208 HydrophobicContact CB-CD1 3.84Å; R206-F208 HydrophobicContact CB-CE1 3.5Å; R206-F208 VanDerWaalsContact CB-CE1 3.5Å; R206-F208 HydrophobicContact CB-CZ 4.07Å; R206-F208 HydrophobicContact CG-CE1 4.38Å; F208-F210 HydrophobicContact CD2-CE2 4.33Å; F208-F210 AromaticContact CE2-CE2 3.95Å; F208-F210 HydrophobicContact CE2-CE2 3.95Å
209	A	95.8	Very high	90.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	165.6	172.6	0	0	0	0	0	110.4	V167 I170 V179 V193 I194 L195	V167-A209 PolarHBondContact N-O 2.82Å; V167-A209 PolarHBondContact O-N 2.99Å; I170-A209 HydrophobicContact CD1-CB 3.47Å; I170-A209 VanDerWaalsContact CD1-CB 3.47Å; V179-A209 HydrophobicContact CG1-CB 4.38Å; V193-A209 HydrophobicContact CG1-CB 3.98Å; I194-A209 WeakPolarHBondContact O-CA 3.43Å; L195-A209 HydrophobicContact CD1-CB 3.81Å
210	F	96	Very high	90.9	Very high	43 Å²	43	53.3 Å²	53.3	19%	0.189	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.2	160.7	-61.2	-87.3	0	0	0	109.3	R164 L165 Y166 V193 I194 Y196 F208 A243	R164-F210 HydrophobicContact CG-CB 3.95Å; R164-F210 HydrophobicContact CG-CD1 4.39Å; L165-F210 CarbonylContact O-C 3.56Å; L165-F210 VanDerWaalsContact O-CA 3.26Å; L165-F210 WeakPolarHBondContact O-CA 3.44Å; Y166-F210 HydrophobicContact CD2-CD1 4.24Å; Y166-F210 AromaticContact CD2-CE1 3.71Å; Y166-F210 HydrophobicContact CD2-CE1 3.71Å; Y166-F210 AromaticContact CD2-CZ 3.94Å; Y166-F210 HydrophobicContact CD2-CZ 3.94Å; Y166-F210 HydrophobicContact CG-CE1 4.4Å; V193-F210 CarbonylContact C-O 3.59Å; V193-F210 WeakPolarHBondContact CA-O 3.29Å; I194-F210 HydrophobicContact CB-CB 4.29Å; I194-F210 PolarHBondContact N-O 2.97Å; I194-F210 PolarHBondContact O-N 3.04Å; Y196-F210 HydrophobicContact CE2-CD2 4.2Å; Y196-F210 AromaticContact CE2-CE2 3.88Å; Y196-F210 HydrophobicContact CE2-CE2 3.88Å; F208-F210 HydrophobicContact CD2-CE2 4.33Å; F208-F210 AromaticContact CE2-CE2 3.95Å; F208-F210 HydrophobicContact CE2-CE2 3.95Å; F210-A243 HydrophobicContact CD1-CB 3.68Å; F210-A243 HydrophobicContact CE1-CB 3.91Å
211	V	96	Very high	91.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.8	176.9	-174	0	0	0	0	107.8	R164 L165 V167 M183 V190 V193 Y213	R164-V211 CarbonylContact C-O 3.5Å; R164-V211 WeakPolarHBondContact CA-O 3.17Å; L165-V211 PolarHBondContact N-O 3.31Å; L165-V211 PolarHBondContact O-N 2.94Å; V167-V211 HydrophobicContact CG2-CG2 3.74Å; M183-V211 HydrophobicContact CB-CG1 4.31Å; M183-V211 HydrophobicContact CG-CG1 4.39Å; M183-V211 HydrophobicContact CG-CG2 3.9Å; M183-V211 HydrophobicContact SD-CG2 4.13Å; V190-V211 HydrophobicContact CG1-CG1 3.84Å; V190-V211 HydrophobicContact CG2-CG1 4.17Å; V193-V211 HydrophobicContact CG2-CG1 4.29Å; V193-V211 HydrophobicContact CG2-CG2 4.33Å; V211-Y213 HydrophobicContact CB-CE2 3.91Å; V211-Y213 HydrophobicContact CG1-CD2 4.3Å; V211-Y213 HydrophobicContact CG1-CE2 3.52Å
212	E	94.8	Very high	91.6	Very high	55 Å²	55	49.2 Å²	49.2	26%	0.257	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.3	-179.1	-172.8	159	148.1	0	0	110.9	R164 V191 D192	R164-E212 IonicContact CZ-OE2 3.06Å; R164-E212 IonicContact NE-OE2 2.7Å; R164-E212 PolarHBondContact NE-OE2 2.82Å; R164-E212 IonicContact NH2-OE2 2.63Å; R164-E212 PolarHBondContact NH2-OE2 3.06Å; V191-E212 PolarHBondContact N-O 2.83Å; D192-E212 HydrophobicContact CB-CB 4.46Å; D192-E212 PolarHBondContact N-O 3.25Å; D192-E212 PolarHBondContact O-N 2.9Å
213	Y	95.1	Very high	92	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	152.9	-178.1	-63.8	-97.8	0	0	0	111.3	C163 L165 T187 E188 G189 V190 V211 S215 C218 A219 A222	C163-Y213 VanDerWaalsContact CB-O 3.32Å; C163-Y213 WeakPolarHBondContact CB-O 3.42Å; C163-Y213 PolarHBondContact O-N 2.81Å; C163-Y213 PolarHBondContact SG-O 3.41Å; C163-Y213 VanDerWaalsContact SG-O 3.4Å; L165-Y213 HydrophobicContact CB-CE2 4.24Å; L165-Y213 HydrophobicContact CD1-CD2 4.45Å; L165-Y213 HydrophobicContact CD1-CE2 3.61Å; L165-Y213 HydrophobicContact CG-CD2 4.26Å; L165-Y213 HydrophobicContact CG-CE2 3.74Å; T187-Y213 PolarHBondContact OG1-OH 2.76Å; E188-Y213 WeakPolarHBondContact O-CD1 3.48Å; G189-Y213 CarbonylContact O-C 3.54Å; G189-Y213 VanDerWaalsContact O-CA 3.24Å; G189-Y213 WeakPolarHBondContact O-CA 3.33Å; V190-Y213 HydrophobicContact CG2-CD1 4.05Å; V190-Y213 HydrophobicContact CG2-CE1 3.48Å; V190-Y213 VanDerWaalsContact CG2-CE1 3.48Å; V211-Y213 HydrophobicContact CB-CE2 3.91Å; V211-Y213 HydrophobicContact CG1-CD2 4.3Å; V211-Y213 HydrophobicContact CG1-CE2 3.52Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 3.21Å; Y213-C218 HydrophobicContact CD1-CB 4.08Å; Y213-C218 HydrophobicContact CG-CB 4.4Å; Y213-A219 HydrophobicContact CD2-CB 3.78Å; Y213-A219 HydrophobicContact CG-CB 4.04Å; Y213-A222 HydrophobicContact CD1-CB 4.35Å; Y213-A222 HydrophobicContact CE1-CB 3.53Å; Y213-A222 HydrophobicContact CE2-CB 4.11Å; Y213-A222 VanDerWaalsContact CZ-CB 3.4Å; Y213-A222 WeakPolarHBondContact OH-CB 3.27Å
214	E	91.9	Very high	92.1	Very high	129 Å²	129	50 Å²	50	60%	0.603	23%	0.227	S	C	*	.	S	Bend	trans	-52.3	-47.7	179.4	-176	178.2	-165.1	0	0	112.4	K81 G189 V191	K81-E214 PolarHBondContact NZ-O 3.26Å; G189-E214 PolarHBondContact O-N 3.38Å; V191-E214 HydrophobicContact CG2-CB 3.96Å
215	S	88.2	Confident	92.1	Very high	41 Å²	41	51.7 Å²	51.7	29%	0.287	24%	0.235	S	C	.	.	S	Bend	trans	-130.2	156.5	179.9	75.6	0	0	0	0	112.6	C163 Y213 R217 C218 A219	C163-S215 VanDerWaalsContact SG-C 3.5Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 3.21Å; S215-R217 PolarHBondContact O-N 3.47Å; S215-R217 PolarHBondContact OG-N 3.16Å; S215-C218 PolarHBondContact O-N 3.11Å; S215-C218 VanDerWaalsContact O-N 3.09Å; S215-C218 PolarHBondContact OG-N 3.48Å; S215-C218 VanDerWaalsContact OG-N 3.16Å; S215-C218 PolarHBondContact OG-SG 3.46Å; S215-A219 PolarHBondContact O-N 3.06Å; S215-A219 VanDerWaalsContact O-N 3.12Å
216	H	86.8	Confident	91.9	Very high	50 Å²	50	51.5 Å²	51.5	23%	0.231	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-32.2	171.9	175.9	60.9	0	0	0	112	D161 N162 C163 A219 A220 W242	D161-H216 HydrophobicContact CB-CB 4.47Å; N162-H216 PolarHBondContact O-ND1 2.94Å; C163-H216 PolarHBondContact SG-N 2.87Å; H216-A219 PolarHBondContact O-N 3.23Å; H216-A220 WeakPolarHBondContact O-CB 3.19Å; H216-A220 PolarHBondContact O-N 2.83Å; H216-W242 AromaticContact CE1-CH2 3.33Å; H216-W242 WeakPolarHBondContact CE1-CH2 3.36Å; H216-W242 AromaticContact CE1-CZ2 3.62Å; H216-W242 AromaticContact ND1-CH2 3.48Å; H216-W242 WeakPolarHBondContact ND1-CH2 3.38Å; H216-W242 AromaticContact ND1-CZ3 3.86Å
217	R	86.2	Confident	91.4	Very high	195 Å²	195	50 Å²	50	74%	0.736	24%	0.237	S	C	*	.	H	α-helix	trans	-61.9	-45.1	173.3	-178.2	-178.9	176.2	-169.8	-2.2	111.8	S215 A220 M221	S215-R217 PolarHBondContact O-N 3.47Å; S215-R217 PolarHBondContact OG-N 3.16Å; R217-A220 PolarHBondContact O-N 3.01Å; R217-M221 WeakPolarHBondContact O-CB 3.42Å; R217-M221 VanDerWaalsContact O-CG 3.29Å; R217-M221 WeakPolarHBondContact O-CG 3.16Å; R217-M221 PolarHBondContact O-N 2.9Å
218	C	92.3	Very high	90.2	Very high	31 Å²	31	53.7 Å²	53.7	21%	0.209	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-43.9	177.4	-60.2	0	0	0	0	110.7	Y213 S215 A220 M221 A222	Y213-C218 HydrophobicContact CD1-CB 4.08Å; Y213-C218 HydrophobicContact CG-CB 4.4Å; S215-C218 PolarHBondContact O-N 3.11Å; S215-C218 VanDerWaalsContact O-N 3.09Å; S215-C218 PolarHBondContact OG-N 3.48Å; S215-C218 VanDerWaalsContact OG-N 3.16Å; S215-C218 PolarHBondContact OG-SG 3.46Å; C218-A220 PolarHBondContact O-N 2.88Å; C218-M221 PolarHBondContact O-N 2.82Å; C218-A222 VanDerWaalsContact O-CB 3.28Å; C218-A222 WeakPolarHBondContact O-CB 3.08Å; C218-A222 PolarHBondContact O-N 2.94Å
219	A	93.7	Very high	88.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-40.8	174.9	0	0	0	0	0	113	L165 Y213 S215 H216 A222 R223 W242	L165-A219 HydrophobicContact CD2-CB 4.28Å; L165-A219 HydrophobicContact CG-CB 4.34Å; Y213-A219 HydrophobicContact CD2-CB 3.78Å; Y213-A219 HydrophobicContact CG-CB 4.04Å; S215-A219 PolarHBondContact O-N 3.06Å; S215-A219 VanDerWaalsContact O-N 3.12Å; H216-A219 PolarHBondContact O-N 3.23Å; A219-A222 PolarHBondContact O-N 2.67Å; A219-R223 PolarHBondContact O-N 2.82Å; A219-W242 HydrophobicContact CB-CH2 4.08Å; A219-W242 HydrophobicContact CB-CZ3 3.65Å
220	A	91.2	Very high	87.2	Confident	10 Å²	10	65.5 Å²	65.5	8%	0.083	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-44	177.5	0	0	0	0	0	112.1	H216 R217 C218 A222 R223 R224 W242	H216-A220 WeakPolarHBondContact O-CB 3.19Å; H216-A220 PolarHBondContact O-N 2.83Å; R217-A220 PolarHBondContact O-N 3.01Å; C218-A220 PolarHBondContact O-N 2.88Å; A220-A222 VanDerWaalsContact C-N 3.34Å; A220-R223 PolarHBondContact O-N 2.85Å; A220-R224 WeakPolarHBondContact O-CB 3.41Å; A220-R224 PolarHBondContact O-N 2.74Å; A220-W242 HydrophobicContact CB-CH2 3.88Å; A220-W242 HydrophobicContact CB-CZ2 4.09Å
221	M	90.9	Very high	86.1	Confident	94 Å²	94	65.9 Å²	65.9	46%	0.463	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-39.3	173.9	-69	-61.9	-59.2	0	0	111.7	R217 C218 R224 K225	R217-M221 WeakPolarHBondContact O-CB 3.42Å; R217-M221 VanDerWaalsContact O-CG 3.29Å; R217-M221 WeakPolarHBondContact O-CG 3.16Å; R217-M221 PolarHBondContact O-N 2.9Å; C218-M221 PolarHBondContact O-N 2.82Å; M221-R224 PolarHBondContact O-N 3.48Å; M221-R224 PolarHBondContact SD-NH1 2.69Å; M221-R224 VanDerWaalsContact SD-NH1 3.45Å; M221-K225 WeakPolarHBondContact O-CB 3.29Å; M221-K225 PolarHBondContact O-N 2.75Å
222	A	93.4	Very high	85.5	Confident	2 Å²	2	70.2 Å²	70.2	2%	0.017	34%	0.342	C	S	.	.	H	α-helix	trans	-65	-45.1	174.6	0	0	0	0	0	112.4	L165 T187 Y213 C218 A219 A220 R224 K225 L226	L165-A222 HydrophobicContact CD1-CB 3.75Å; T187-A222 HydrophobicContact CG2-CB 3.68Å; Y213-A222 HydrophobicContact CD1-CB 4.35Å; Y213-A222 HydrophobicContact CE1-CB 3.53Å; Y213-A222 HydrophobicContact CE2-CB 4.11Å; Y213-A222 VanDerWaalsContact CZ-CB 3.4Å; Y213-A222 WeakPolarHBondContact OH-CB 3.27Å; C218-A222 VanDerWaalsContact O-CB 3.28Å; C218-A222 WeakPolarHBondContact O-CB 3.08Å; C218-A222 PolarHBondContact O-N 2.94Å; A219-A222 PolarHBondContact O-N 2.67Å; A220-A222 VanDerWaalsContact C-N 3.34Å; A222-R224 VanDerWaalsContact C-N 3.33Å; A222-R224 PolarHBondContact O-N 2.98Å; A222-K225 PolarHBondContact O-N 3.32Å; A222-K225 VanDerWaalsContact O-N 3.16Å; A222-L226 WeakPolarHBondContact O-CB 3.24Å; A222-L226 WeakPolarHBondContact O-CG 3.32Å; A222-L226 PolarHBondContact O-N 2.8Å
223	R	92.7	Very high	84.9	Confident	60 Å²	60	67.9 Å²	67.9	23%	0.226	33%	0.331	C	S	.	.	H	α-helix	trans	-57.3	-47.6	172.5	-164.5	179	88.1	129.4	1.2	110.3	L165 A219 A220 K225 L226 A227 D241	L165-R223 HydrophobicContact CD1-CB 4.28Å; L165-R223 HydrophobicContact CD2-CB 4.06Å; A219-R223 PolarHBondContact O-N 2.82Å; A220-R223 PolarHBondContact O-N 2.85Å; R223-K225 VanDerWaalsContact C-N 3.31Å; R223-K225 PolarHBondContact O-N 3.3Å; R223-L226 PolarHBondContact O-N 3.18Å; R223-A227 HydrophobicContact CG-CB 4.42Å; R223-A227 WeakPolarHBondContact O-CB 3.17Å; R223-A227 PolarHBondContact O-N 2.75Å; R223-D241 IonicContact NH1-OD1 3.82Å; R223-D241 PolarHBondContact NH1-OD1 3.48Å
224	R	87.6	Confident	84.5	Confident	100 Å²	100	71.8 Å²	71.8	38%	0.377	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-29.4	176.7	-80.4	-167.5	-93.2	152.3	-16.7	114.3	A220 M221 A222 P228 D416	A220-R224 WeakPolarHBondContact O-CB 3.41Å; A220-R224 PolarHBondContact O-N 2.74Å; M221-R224 PolarHBondContact O-N 3.48Å; M221-R224 PolarHBondContact SD-NH1 2.69Å; M221-R224 VanDerWaalsContact SD-NH1 3.45Å; A222-R224 VanDerWaalsContact C-N 3.33Å; A222-R224 PolarHBondContact O-N 2.98Å; R224-P228 WeakPolarHBondContact O-CD 3.21Å; R224-P228 VanDerWaalsContact O-CG 3.28Å; R224-P228 WeakPolarHBondContact O-CG 3.39Å; R224-D416 VanDerWaalsContact CZ-CG 3.45Å; R224-D416 IonicContact CZ-OD1 3.79Å; R224-D416 VanDerWaalsContact CZ-OD1 3.3Å; R224-D416 IonicContact CZ-OD2 2.73Å; R224-D416 VanDerWaalsContact NE-CG 3.35Å; R224-D416 IonicContact NE-OD1 2.72Å; R224-D416 IonicContact NE-OD2 3.65Å; R224-D416 PolarHBondContact NE-OD2 2.89Å; R224-D416 IonicContact NH1-OD1 2.69Å; R224-D416 IonicContact NH2-OD1 2.83Å; R224-D416 PolarHBondContact NH2-OD1 2.94Å; R224-D416 IonicContact NH2-OD2 2.71Å; R224-D416 PolarHBondContact NH2-OD2 3.05Å
225	K	88.9	Confident	84.1	Confident	127 Å²	127	68.8 Å²	68.8	55%	0.552	35%	0.35	S	S	*	.	H	α-helix	trans	-85.3	-31.7	178.7	-167.8	172.2	-179.7	-175	0	113.3	L186 M221 A222 R223	L186-K225 WeakPolarHBondContact O-CD 3.49Å; L186-K225 WeakPolarHBondContact O-CE 3.22Å; L186-K225 PolarHBondContact O-NZ 3.47Å; M221-K225 WeakPolarHBondContact O-CB 3.29Å; M221-K225 PolarHBondContact O-N 2.75Å; A222-K225 PolarHBondContact O-N 3.32Å; A222-K225 VanDerWaalsContact O-N 3.16Å; R223-K225 VanDerWaalsContact C-N 3.31Å; R223-K225 PolarHBondContact O-N 3.3Å
226	L	88.8	Confident	83.9	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-98.1	-34.7	-173.2	-60.7	174.7	0	0	0	113.9	M183 L186 T187 A222 R223 L231 V240	M183-L226 HydrophobicContact SD-CD1 4Å; L186-L226 HydrophobicContact CB-CD2 4.2Å; L186-L226 HydrophobicContact CD1-CD2 4.2Å; T187-L226 HydrophobicContact CG2-CD1 3.86Å; T187-L226 HydrophobicContact CG2-CD2 4.2Å; T187-L226 HydrophobicContact CG2-CG 3.95Å; A222-L226 WeakPolarHBondContact O-CB 3.24Å; A222-L226 WeakPolarHBondContact O-CG 3.32Å; A222-L226 PolarHBondContact O-N 2.8Å; R223-L226 PolarHBondContact O-N 3.18Å; L226-L231 HydrophobicContact CD2-CD2 3.61Å; L226-V240 HydrophobicContact CB-CB 4.08Å; L226-V240 HydrophobicContact CB-CG1 4.38Å; L226-V240 HydrophobicContact CB-CG2 3.61Å; L226-V240 HydrophobicContact CD1-CG1 4.46Å; L226-V240 HydrophobicContact CD1-CG2 4.05Å; L226-V240 HydrophobicContact CG-CG2 4.47Å
227	A	81.1	Confident	83.9	Confident	46 Å²	46	72.7 Å²	72.7	38%	0.38	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-42.8	-173.8	0	0	0	0	0	115.4	R223 N229	R223-A227 HydrophobicContact CG-CB 4.42Å; R223-A227 WeakPolarHBondContact O-CB 3.17Å; R223-A227 PolarHBondContact O-N 2.75Å; A227-N229 VanDerWaalsContact C-N 3.25Å; A227-N229 PolarHBondContact O-N 2.97Å; A227-N229 VanDerWaalsContact O-N 3.09Å
228	P	68.6	Low	84.1	Confident	93 Å²	93	63.6 Å²	63.6	60%	0.604	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.4	-168.9	-26.4	37.3	0	0	0	116.8	R224	R224-P228 WeakPolarHBondContact O-CD 3.21Å; R224-P228 VanDerWaalsContact O-CG 3.28Å; R224-P228 WeakPolarHBondContact O-CG 3.39Å
229	N	58.8	Low	84	Confident	124 Å²	124	65.8 Å²	65.8	66%	0.663	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	8.1	-162.7	-70.1	-22.7	0	0	0	115.6	A227 L231	A227-N229 VanDerWaalsContact C-N 3.25Å; A227-N229 PolarHBondContact O-N 2.97Å; A227-N229 VanDerWaalsContact O-N 3.09Å; N229-L231 PolarHBondContact O-N 3.44Å
230	R	67.8	Low	84	Confident	173 Å²	173	66.3 Å²	66.3	65%	0.653	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	46	-169.7	-66.1	-180	176.8	-93.3	0.6	112.5	T232 E237	R230-T232 PolarHBondContact O-N 2.92Å; R230-E237 HydrophobicContact CB-CG 4.48Å; R230-E237 WeakPolarHBondContact CD-OE2 3.37Å; R230-E237 IonicContact CZ-OE2 2.62Å; R230-E237 IonicContact NE-OE2 2.74Å; R230-E237 IonicContact NH1-OE1 2.74Å; R230-E237 IonicContact NH1-OE2 3.47Å; R230-E237 PolarHBondContact NH1-OE2 2.84Å
231	L	74	Confident	84	Confident	50 Å²	50	70 Å²	70	26%	0.262	37%	0.366	S	S	.	.			trans	-54.4	127.7	-166.8	-173.3	65.8	0	0	0	111.2	L186 L226 N229 L233 I238	L186-L231 HydrophobicContact CD1-CD2 3.94Å; L226-L231 HydrophobicContact CD2-CD2 3.61Å; N229-L231 PolarHBondContact O-N 3.44Å; L231-L233 HydrophobicContact CD2-CD2 3.72Å; L231-L233 HydrophobicContact CD2-CG 4.37Å; L231-L233 HydrophobicContact CG-CD2 3.87Å; L231-L233 HydrophobicContact CG-CG 4.44Å; L231-L233 PolarHBondContact O-N 2.93Å; L231-I238 HydrophobicContact CB-CG1 4.13Å; L231-I238 WeakPolarHBondContact O-CG1 3.28Å; L231-I238 PolarHBondContact O-N 3.16Å
232	T	82.3	Confident	84.1	Confident	92 Å²	92	67.1 Å²	67.1	56%	0.564	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	102.5	179.5	51.3	0	0	0	0	110.6	R230 N236 E237	R230-T232 PolarHBondContact O-N 2.92Å; T232-N236 CarbonylContact C-O 3.55Å; T232-N236 VanDerWaalsContact CA-O 3.22Å; T232-N236 WeakPolarHBondContact CA-O 3.5Å; T232-E237 HydrophobicContact CG2-CG 4.25Å
233	L	83	Confident	84.1	Confident	5 Å²	5	67.2 Å²	67.2	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.1	173.6	-58.4	-169	0	0	0	110.3	E182 M183 L186 L231 G235 N236 I238	E182-L233 HydrophobicContact CG-CD1 3.94Å; E182-L233 HydrophobicContact CG-CD2 4.31Å; M183-L233 HydrophobicContact CE-CD1 3.68Å; L186-L233 HydrophobicContact CD1-CD1 4.11Å; L186-L233 HydrophobicContact CD1-CD2 3.63Å; L231-L233 HydrophobicContact CD2-CD2 3.72Å; L231-L233 HydrophobicContact CD2-CG 4.37Å; L231-L233 HydrophobicContact CG-CD2 3.87Å; L231-L233 HydrophobicContact CG-CG 4.44Å; L231-L233 PolarHBondContact O-N 2.93Å; L233-G235 PolarHBondContact O-N 3.4Å; L233-N236 PolarHBondContact N-O 3.4Å; L233-N236 PolarHBondContact O-N 3.35Å; L233-I238 HydrophobicContact CB-CG2 3.87Å; L233-I238 HydrophobicContact CD1-CD1 3.63Å; L233-I238 HydrophobicContact CD1-CG1 4.27Å; L233-I238 HydrophobicContact CD1-CG2 4.17Å; L233-I238 HydrophobicContact CG-CD1 3.92Å; L233-I238 HydrophobicContact CG-CG1 4.05Å; L233-I238 HydrophobicContact CG-CG2 3.98Å
234	W	87.4	Confident	83.7	Confident	83 Å²	83	72.5 Å²	72.5	31%	0.314	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	24.2	-176.9	-45.7	-75.9	0	0	0	114.4	I170 P171 K174 V179 E182	I170-W234 HydrophobicContact CG1-CZ3 4.39Å; I170-W234 HydrophobicContact CG2-CZ3 4.12Å; P171-W234 HydrophobicContact CG-CB 3.72Å; P171-W234 HydrophobicContact CG-CD2 4.29Å; P171-W234 HydrophobicContact CG-CE3 4Å; P171-W234 HydrophobicContact CG-CG 4.24Å; K174-W234 HydrophobicContact CD-CD2 4.21Å; K174-W234 HydrophobicContact CD-CG 4.28Å; K174-W234 HydrophobicContact CD-CZ2 4.44Å; K174-W234 HydrophobicContact CG-CD2 4.33Å; V179-W234 HydrophobicContact CB-CH2 4.37Å; V179-W234 HydrophobicContact CG2-CH2 3.88Å; V179-W234 HydrophobicContact CG2-CZ2 4.42Å; E182-W234 HydrophobicContact CB-CH2 4.15Å; E182-W234 HydrophobicContact CB-CZ2 3.54Å; E182-W234 HydrophobicContact CG-CH2 4.22Å; E182-W234 HydrophobicContact CG-CZ2 3.76Å
235	G	82.6	Confident	83.4	Confident	67 Å²	67	70.4 Å²	70.4	69%	0.691	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-5.7	-176.4	0	0	0	0	0	115.8	L233	L233-G235 PolarHBondContact O-N 3.4Å
236	N	84.4	Confident	82.8	Confident	69 Å²	69	70 Å²	70	37%	0.369	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.6	176.4	-70	0.1	0	0	0	111.1	G169 T232 L233 I238	G169-N236 VanDerWaalsContact O-CB 3.22Å; G169-N236 WeakPolarHBondContact O-CB 3.33Å; G169-N236 PolarHBondContact O-ND2 3.38Å; T232-N236 CarbonylContact C-O 3.55Å; T232-N236 VanDerWaalsContact CA-O 3.22Å; T232-N236 WeakPolarHBondContact CA-O 3.5Å; L233-N236 PolarHBondContact N-O 3.4Å; L233-N236 PolarHBondContact O-N 3.35Å; N236-I238 PolarHBondContact O-N 2.94Å
237	E	87.3	Confident	82.2	Confident	103 Å²	103	75.5 Å²	75.5	48%	0.481	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	121.5	162.5	-74.5	-173.2	-137.1	0	0	109.5	R230 T232	R230-E237 HydrophobicContact CB-CG 4.48Å; R230-E237 WeakPolarHBondContact CD-OE2 3.37Å; R230-E237 IonicContact CZ-OE2 2.62Å; R230-E237 IonicContact NE-OE2 2.74Å; R230-E237 IonicContact NH1-OE1 2.74Å; R230-E237 IonicContact NH1-OE2 3.47Å; R230-E237 PolarHBondContact NH1-OE2 2.84Å; T232-E237 HydrophobicContact CG2-CG 4.25Å
238	I	90.1	Very high	81.8	Confident	5 Å²	5	77.7 Å²	77.7	3%	0.026	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-93.4	149.2	168.1	65.4	152.9	0	0	0	111.5	V167 S168 M183 L231 L233 N236 V240	V167-I238 HydrophobicContact CG1-CB 4.42Å; V167-I238 HydrophobicContact CG1-CD1 4.27Å; S168-I238 VanDerWaalsContact O-CA 3.24Å; S168-I238 WeakPolarHBondContact O-CA 3.38Å; S168-I238 WeakPolarHBondContact O-CB 3.32Å; M183-I238 HydrophobicContact CE-CD1 4.33Å; L231-I238 HydrophobicContact CB-CG1 4.13Å; L231-I238 WeakPolarHBondContact O-CG1 3.28Å; L231-I238 PolarHBondContact O-N 3.16Å; L233-I238 HydrophobicContact CB-CG2 3.87Å; L233-I238 HydrophobicContact CD1-CD1 3.63Å; L233-I238 HydrophobicContact CD1-CG1 4.27Å; L233-I238 HydrophobicContact CD1-CG2 4.17Å; L233-I238 HydrophobicContact CG-CD1 3.92Å; L233-I238 HydrophobicContact CG-CG1 4.05Å; L233-I238 HydrophobicContact CG-CG2 3.98Å; N236-I238 PolarHBondContact O-N 2.94Å; I238-V240 HydrophobicContact CD1-CG2 3.72Å
239	T	90.4	Very high	82.4	Confident	76 Å²	76	75.1 Å²	75.1	47%	0.466	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.2	170	64.1	0	0	0	0	108.9	V167 S168	V167-T239 WeakPolarHBondContact CA-O 3.47Å; S168-T239 VanDerWaalsContact CB-OG1 3.29Å; S168-T239 WeakPolarHBondContact CB-OG1 3.35Å; S168-T239 PolarHBondContact N-O 2.88Å; S168-T239 PolarHBondContact O-N 3.34Å; S168-T239 PolarHBondContact OG-OG1 2.97Å
240	V	91.9	Very high	83.4	Confident	12 Å²	12	72.9 Å²	72.9	7%	0.073	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.6	179.5	-175.3	0	0	0	0	110	L165 Y166 V167 L226 I238	L165-V240 HydrophobicContact CB-CG1 4.13Å; L165-V240 HydrophobicContact CD1-CG1 3.72Å; L165-V240 HydrophobicContact CG-CG1 4.41Å; Y166-V240 WeakPolarHBondContact O-CA 3.18Å; V167-V240 HydrophobicContact CG1-CG2 4.31Å; V167-V240 HydrophobicContact CG2-CG1 4.36Å; V167-V240 HydrophobicContact CG2-CG2 4.12Å; L226-V240 HydrophobicContact CB-CB 4.08Å; L226-V240 HydrophobicContact CB-CG1 4.38Å; L226-V240 HydrophobicContact CB-CG2 3.61Å; L226-V240 HydrophobicContact CD1-CG1 4.46Å; L226-V240 HydrophobicContact CD1-CG2 4.05Å; L226-V240 HydrophobicContact CG-CG2 4.47Å; I238-V240 HydrophobicContact CD1-CG2 3.72Å
241	D	92.4	Very high	84.2	Confident	86 Å²	86	71 Å²	71	46%	0.46	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	172.1	177.8	-158.9	0.6	0	0	0	110.4	L165 Y166 R223	L165-D241 CarbonylContact C-O 3.55Å; L165-D241 WeakPolarHBondContact CA-O 3.32Å; Y166-D241 PolarHBondContact N-O 3.35Å; Y166-D241 PolarHBondContact O-N 3.42Å; R223-D241 IonicContact NH1-OD1 3.82Å; R223-D241 PolarHBondContact NH1-OD1 3.48Å
242	W	92.3	Very high	84.7	Confident	34 Å²	34	74.4 Å²	74.4	13%	0.129	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	137.1	167.8	-72.9	124.2	0	0	0	110.5	N162 L165 H216 A219 A220	N162-W242 HydrophobicContact CB-CE3 4.03Å; N162-W242 HydrophobicContact CB-CZ3 4.19Å; N162-W242 WeakPolarHBondContact O-CZ3 3.15Å; L165-W242 HydrophobicContact CD2-CD2 4.22Å; L165-W242 HydrophobicContact CD2-CE3 3.49Å; L165-W242 VanDerWaalsContact CD2-CE3 3.49Å; L165-W242 HydrophobicContact CD2-CH2 4.47Å; L165-W242 HydrophobicContact CD2-CZ3 3.63Å; H216-W242 AromaticContact CE1-CH2 3.33Å; H216-W242 WeakPolarHBondContact CE1-CH2 3.36Å; H216-W242 AromaticContact CE1-CZ2 3.62Å; H216-W242 AromaticContact ND1-CH2 3.48Å; H216-W242 WeakPolarHBondContact ND1-CH2 3.38Å; H216-W242 AromaticContact ND1-CZ3 3.86Å; A219-W242 HydrophobicContact CB-CH2 4.08Å; A219-W242 HydrophobicContact CB-CZ3 3.65Å; A220-W242 HydrophobicContact CB-CH2 3.88Å; A220-W242 HydrophobicContact CB-CZ2 4.09Å
243	A	92.8	Very high	84.9	Confident	4 Å²	4	72.5 Å²	72.5	3%	0.033	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-70.7	144.6	166.6	0	0	0	0	0	109.6	N162 R164 F210 P245	N162-A243 PolarHBondContact ND2-O 2.91Å; R164-A243 HydrophobicContact CB-CB 3.93Å; R164-A243 HydrophobicContact CG-CB 3.87Å; R164-A243 WeakPolarHBondContact O-CB 3.28Å; R164-A243 PolarHBondContact O-N 3.24Å; F210-A243 HydrophobicContact CD1-CB 3.68Å; F210-A243 HydrophobicContact CE1-CB 3.91Å; A243-P245 VanDerWaalsContact O-CD 3.27Å; A243-P245 WeakPolarHBondContact O-CD 3.23Å
244	E	86.4	Confident	85.2	Confident	171 Å²	171	74 Å²	74	80%	0.799	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-58.3	118.8	166.7	-173	-177.9	168.5	0	0	108.4	E246	E244-E246 PolarHBondContact O-N 3.45Å
245	P	79.5	Confident	85.3	Confident	57 Å²	57	72.5 Å²	72.5	37%	0.37	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-59.1	129.1	-176.6	-26.7	35.9	0	0	0	111.2	V160 A243 R247	V160-P245 HydrophobicContact CG1-CB 3.92Å; V160-P245 HydrophobicContact CG1-CG 4.42Å; A243-P245 VanDerWaalsContact O-CD 3.27Å; A243-P245 WeakPolarHBondContact O-CD 3.23Å; P245-R247 PolarHBondContact O-N 2.9Å; P245-R247 VanDerWaalsContact O-N 3.15Å
246	E	77.5	Confident	85.6	Confident	117 Å²	117	76.5 Å²	76.5	55%	0.547	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-70.6	116.3	-178.3	-161.3	-169.7	135.1	0	0	109.3	R164 E244 D248 K330	R164-E246 IonicContact NH1-OE2 2.66Å; R164-E246 PolarHBondContact NH1-OE2 2.88Å; E244-E246 PolarHBondContact O-N 3.45Å; E246-D248 PolarHBondContact O-N 2.74Å; E246-K330 WeakPolarHBondContact OE1-CE 3.36Å; E246-K330 IonicContact OE1-NZ 3.81Å; E246-K330 PolarHBondContact OE1-NZ 2.92Å
247	R	75.5	Confident	85.9	Confident	118 Å²	118	73.9 Å²	73.9	45%	0.445	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-49.8	117.3	-175.6	-80.3	178	-73.7	170.7	-4.5	112	P245 K330 Y409	P245-R247 PolarHBondContact O-N 2.9Å; P245-R247 VanDerWaalsContact O-N 3.15Å; R247-K330 WeakPolarHBondContact O-CE 3.4Å; R247-K330 PolarHBondContact O-NZ 2.92Å; R247-Y409 HydrophobicContact CG-CE1 4.09Å
248	D	73.3	Confident	86.2	Confident	92 Å²	92	73.6 Å²	73.6	49%	0.492	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-62.9	139.6	164.6	-79.1	-29.2	0	0	0	109.8	K158 E246	K158-D248 IonicContact NZ-OD2 3.26Å; K158-D248 PolarHBondContact NZ-OD2 3.37Å; E246-D248 PolarHBondContact O-N 2.74Å
249	V	80.3	Confident	86.4	Confident	39 Å²	39	77.6 Å²	77.6	24%	0.236	39%	0.389	C	S	.	.			trans	-126.7	134.7	167.8	-177.3	0	0	0	0	105.5	T253 M254 K330 P331	V249-T253 HydrophobicContact CG1-CG2 3.71Å; V249-M254 HydrophobicContact CB-CG 3.82Å; V249-M254 HydrophobicContact CB-SD 3.94Å; V249-M254 HydrophobicContact CG1-CG 3.76Å; V249-M254 HydrophobicContact CG1-SD 3.93Å; V249-K330 HydrophobicContact CG2-CB 4.34Å; V249-K330 HydrophobicContact CG2-CD 4.38Å; V249-K330 HydrophobicContact CG2-CG 4.32Å; V249-P331 HydrophobicContact CG1-CG 3.88Å
250	D	80.6	Confident	86.7	Confident	77 Å²	77	74 Å²	74	41%	0.412	37%	0.367	S	S	.	.			trans	-59.8	147.6	-179.6	54.3	-74.4	0	0	0	112.2	E252 T253 M254	D250-E252 PolarHBondContact O-N 2.94Å; D250-T253 VanDerWaalsContact CG-OG1 3.29Å; D250-T253 PolarHBondContact O-N 3.44Å; D250-T253 WeakPolarHBondContact OD1-CB 3.35Å; D250-T253 PolarHBondContact OD1-OG1 3.09Å; D250-T253 WeakPolarHBondContact OD2-CB 3.47Å; D250-T253 PolarHBondContact OD2-N 2.91Å; D250-T253 PolarHBondContact OD2-OG1 3Å; D250-M254 PolarHBondContact O-N 2.98Å
251	E	84.4	Confident	86.9	Confident	135 Å²	135	76.7 Å²	76.7	63%	0.631	38%	0.377	S	S	*	.	H	α-helix	trans	-61.2	-33.4	-176	-69.4	152.7	-127.4	0	0	111.6	K133 M254 A255	K133-E251 IonicContact NZ-OE1 3.21Å; K133-E251 PolarHBondContact NZ-OE1 2.91Å; K133-E251 IonicContact NZ-OE2 3.86Å; E251-M254 PolarHBondContact O-N 2.97Å; E251-A255 VanDerWaalsContact O-CB 3.32Å; E251-A255 WeakPolarHBondContact O-CB 3.27Å; E251-A255 PolarHBondContact O-N 3.34Å
252	E	85.1	Confident	87	Confident	121 Å²	121	72.6 Å²	72.6	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-63.4	-49	176.4	-59.2	163.1	-123.9	0	0	111.5	K137 D250 A255	K137-E252 IonicContact NZ-OE1 3.36Å; K137-E252 PolarHBondContact NZ-OE1 3.26Å; D250-E252 PolarHBondContact O-N 2.94Å; E252-A255 WeakPolarHBondContact O-CB 3.29Å; E252-A255 PolarHBondContact O-N 3.25Å
253	T	86.2	Confident	87.1	Confident	51 Å²	51	73.4 Å²	73.4	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-68.5	-40.4	174.4	-66.4	0	0	0	0	111.8	V249 D250 A255 Q256 P331	V249-T253 HydrophobicContact CG1-CG2 3.71Å; D250-T253 VanDerWaalsContact CG-OG1 3.29Å; D250-T253 PolarHBondContact O-N 3.44Å; D250-T253 WeakPolarHBondContact OD1-CB 3.35Å; D250-T253 PolarHBondContact OD1-OG1 3.09Å; D250-T253 WeakPolarHBondContact OD2-CB 3.47Å; D250-T253 PolarHBondContact OD2-N 2.91Å; D250-T253 PolarHBondContact OD2-OG1 3Å; T253-A255 PolarHBondContact O-N 3.08Å; T253-Q256 PolarHBondContact O-N 2.87Å; T253-P331 HydrophobicContact CG2-CG 3.76Å
254	M	88.2	Confident	87	Confident	38 Å²	38	75 Å²	75	19%	0.187	37%	0.366	C	S	.	.	H	α-helix	trans	-64.9	-27.3	175.8	-75.8	-59.7	-64.7	0	0	112.6	V249 D250 E251 Q256 V257 R304 L328 K330	V249-M254 HydrophobicContact CB-CG 3.82Å; V249-M254 HydrophobicContact CB-SD 3.94Å; V249-M254 HydrophobicContact CG1-CG 3.76Å; V249-M254 HydrophobicContact CG1-SD 3.93Å; D250-M254 PolarHBondContact O-N 2.98Å; E251-M254 PolarHBondContact O-N 2.97Å; M254-Q256 VanDerWaalsContact C-N 3.27Å; M254-Q256 PolarHBondContact O-N 3.17Å; M254-V257 PolarHBondContact O-N 2.78Å; M254-V257 HydrophobicContact SD-CG2 4.12Å; M254-R304 PolarHBondContact O-NH1 3.4Å; M254-R304 PolarHBondContact O-NH2 3.04Å; M254-L328 HydrophobicContact CE-CB 3.94Å; M254-K330 HydrophobicContact CE-CG 4.46Å; M254-K330 HydrophobicContact SD-CG 4.28Å
255	A	89.4	Confident	87.3	Confident	51 Å²	51	66.9 Å²	66.9	42%	0.421	33%	0.328	S	S	.	.	H	α-helix	trans	-68.9	-20.1	172	0	0	0	0	0	113.6	E251 E252 T253 R304	E251-A255 VanDerWaalsContact O-CB 3.32Å; E251-A255 WeakPolarHBondContact O-CB 3.27Å; E251-A255 PolarHBondContact O-N 3.34Å; E252-A255 WeakPolarHBondContact O-CB 3.29Å; E252-A255 PolarHBondContact O-N 3.25Å; T253-A255 PolarHBondContact O-N 3.08Å; A255-R304 WeakPolarHBondContact O-CD 3.44Å; A255-R304 PolarHBondContact O-NE 3.28Å; A255-R304 PolarHBondContact O-NH1 3.27Å
256	Q	89.4	Confident	87.8	Confident	150 Å²	150	66 Å²	66	70%	0.701	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-7.9	177.4	-61.3	176.9	23.4	0	0	113.5	T253 M254 K258	T253-Q256 PolarHBondContact O-N 2.87Å; M254-Q256 VanDerWaalsContact C-N 3.27Å; M254-Q256 PolarHBondContact O-N 3.17Å; Q256-K258 PolarHBondContact O-N 3.39Å
257	V	91.8	Very high	88.3	Confident	14 Å²	14	64.4 Å²	64.4	9%	0.085	31%	0.313	C	S	.	.			trans	-68.2	125.8	-177.8	176.2	0	0	0	0	111.2	M254 K259 R304 L328 A329 P331	M254-V257 PolarHBondContact O-N 2.78Å; M254-V257 HydrophobicContact SD-CG2 4.12Å; V257-K259 HydrophobicContact CG1-CB 4.2Å; V257-K259 WeakPolarHBondContact CG1-O 3.19Å; V257-R304 PolarHBondContact O-NH1 3.35Å; V257-L328 HydrophobicContact CB-CD2 4.33Å; V257-L328 HydrophobicContact CG1-CB 4.2Å; V257-L328 HydrophobicContact CG1-CD2 3.9Å; V257-A329 WeakPolarHBondContact CG1-O 3.05Å; V257-P331 HydrophobicContact CG2-CG 4.47Å
258	K	93.6	Very high	89	Confident	97 Å²	97	64.8 Å²	64.8	42%	0.422	32%	0.319	S	S	.	.			trans	-113.4	30.5	172.3	-53.1	-177.4	177.6	-176.7	0	112.7	Q256 F301 T302 R304	Q256-K258 PolarHBondContact O-N 3.39Å; K258-F301 WeakPolarHBondContact CB-O 3.32Å; K258-F301 PolarHBondContact O-N 3.06Å; K258-T302 WeakPolarHBondContact CD-O 3.37Å; K258-T302 WeakPolarHBondContact CE-O 3.42Å; K258-T302 PolarHBondContact NZ-O 3.25Å; K258-R304 HydrophobicContact CG-CB 4.39Å
259	K	94.3	Very high	89.9	Confident	90 Å²	90	60.7 Å²	60.7	39%	0.391	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.1	-170	-61.1	-175.6	-179.5	-166.7	0	110.4	V257 V299 H300 L328 A329	V257-K259 HydrophobicContact CG1-CB 4.2Å; V257-K259 WeakPolarHBondContact CG1-O 3.19Å; K259-V299 CarbonylContact C-O 3.52Å; K259-V299 VanDerWaalsContact CA-O 3.25Å; K259-V299 WeakPolarHBondContact CA-O 3.27Å; K259-H300 WeakPolarHBondContact CE-NE2 3.26Å; K259-H300 PolarHBondContact NZ-CE1 3.09Å; K259-H300 PolarHBondContact NZ-NE2 3.45Å; K259-H300 VanDerWaalsContact NZ-NE2 3.11Å; K259-L328 WeakPolarHBondContact O-CA 3.39Å; K259-A329 HydrophobicContact CB-CB 3.99Å; K259-A329 PolarHBondContact O-N 2.97Å
260	L	96.1	Very high	90.5	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.2	171.4	-62	178.7	0	0	0	110.7	I262 F298 V299 F301 A307 V310 Q311 V326 K327 L328	L260-I262 HydrophobicContact CB-CG1 4.43Å; L260-F298 VanDerWaalsContact O-CA 3.3Å; L260-F298 WeakPolarHBondContact O-CA 3.29Å; L260-V299 PolarHBondContact N-O 3.31Å; L260-V299 PolarHBondContact O-N 3.26Å; L260-F301 HydrophobicContact CB-CE2 4.25Å; L260-F301 HydrophobicContact CD1-CE2 3.55Å; L260-F301 HydrophobicContact CD1-CZ 3.85Å; L260-F301 HydrophobicContact CG-CD2 4.41Å; L260-F301 HydrophobicContact CG-CE2 3.69Å; L260-F301 HydrophobicContact CG-CZ 4.48Å; L260-A307 WeakPolarHBondContact CD1-O 3.45Å; L260-A307 HydrophobicContact CD2-CB 4.22Å; L260-A307 HydrophobicContact CG-CB 4.15Å; L260-V310 HydrophobicContact CD1-CB 3.88Å; L260-V310 HydrophobicContact CD1-CG1 3.62Å; L260-Q311 HydrophobicContact CD2-CB 4.01Å; L260-V326 HydrophobicContact CB-CG1 4.28Å; L260-V326 HydrophobicContact CD1-CG1 3.77Å; L260-V326 HydrophobicContact CD2-CG1 4.2Å; L260-V326 HydrophobicContact CG-CG1 4.3Å; L260-K327 CarbonylContact C-O 3.56Å; L260-K327 WeakPolarHBondContact CA-O 3.43Å; L260-L328 HydrophobicContact CD2-CD2 4.19Å
261	Y	95.8	Very high	91.1	Very high	69 Å²	69	61.5 Å²	61.5	27%	0.271	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.5	164.5	170.4	-112.6	0	0	0	106.7	R263 Y296 A297 F298 K327	Y261-R263 HydrophobicContact CE1-CB 3.96Å; Y261-R263 HydrophobicContact CE1-CG 4.32Å; Y261-Y296 HydrophobicContact CD2-CD2 4.33Å; Y261-Y296 AromaticContact CE2-CD2 3.61Å; Y261-Y296 HydrophobicContact CE2-CD2 3.61Å; Y261-Y296 HydrophobicContact CE2-CE2 4.4Å; Y261-Y296 AromaticContact CE2-CG 3.8Å; Y261-Y296 HydrophobicContact CE2-CG 3.8Å; Y261-A297 WeakPolarHBondContact CA-O 3.31Å; Y261-F298 HydrophobicContact CD2-CD1 4.1Å; Y261-F298 AromaticContact CD2-CE1 3.52Å; Y261-F298 HydrophobicContact CD2-CE1 3.52Å; Y261-F298 AromaticContact CD2-CZ 3.76Å; Y261-F298 HydrophobicContact CD2-CZ 3.76Å; Y261-F298 HydrophobicContact CE2-CE1 4.39Å; Y261-F298 HydrophobicContact CE2-CZ 4.2Å; Y261-F298 HydrophobicContact CG-CE1 4.16Å; Y261-K327 PolarHBondContact N-O 3.39Å; Y261-K327 PolarHBondContact O-N 2.88Å
262	I	95.2	Very high	91.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.1	180	-57.5	178.5	0	0	0	106.7	L260 L265 L274 V278 Y296 A297 V299 L314 V324 E325 V326	L260-I262 HydrophobicContact CB-CG1 4.43Å; I262-L265 HydrophobicContact CG2-CD2 3.82Å; I262-L265 HydrophobicContact CG2-CG 4.24Å; I262-L274 HydrophobicContact CD1-CD1 3.97Å; I262-L274 HydrophobicContact CD1-CD2 4.38Å; I262-L274 HydrophobicContact CD1-CG 4.46Å; I262-V278 HydrophobicContact CD1-CG2 4.44Å; I262-Y296 CarbonylContact O-C 3.53Å; I262-Y296 WeakPolarHBondContact O-CA 3.32Å; I262-Y296 VanDerWaalsContact O-CB 3.31Å; I262-Y296 WeakPolarHBondContact O-CB 3.41Å; I262-A297 PolarHBondContact N-O 3.07Å; I262-A297 PolarHBondContact O-N 3.49Å; I262-V299 HydrophobicContact CD1-CG2 3.72Å; I262-V299 HydrophobicContact CG1-CG2 4.49Å; I262-L314 HydrophobicContact CD1-CD2 4.01Å; I262-V324 HydrophobicContact CG2-CB 4.3Å; I262-E325 WeakPolarHBondContact CA-O 3.45Å; I262-V326 HydrophobicContact CG1-CG1 4.09Å; I262-V326 HydrophobicContact CG1-CG2 4.13Å; I262-V326 HydrophobicContact CG2-CG2 4.21Å
263	R	92.9	Very high	92	Very high	51 Å²	51	58.1 Å²	58.1	19%	0.192	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	167.4	-179.6	74.8	174.1	-171.3	-177.4	-0.2	112.8	Y196 Y261 E325	Y196-R263 PolarHBondContact OH-NH1 2.85Å; Y261-R263 HydrophobicContact CE1-CB 3.96Å; Y261-R263 HydrophobicContact CE1-CG 4.32Å; R263-E325 HydrophobicContact CG-CB 3.87Å; R263-E325 HydrophobicContact CG-CG 4.47Å; R263-E325 IonicContact CZ-OE1 3.3Å; R263-E325 VanDerWaalsContact CZ-OE1 3.32Å; R263-E325 IonicContact CZ-OE2 2.76Å; R263-E325 PolarHBondContact N-O 3.32Å; R263-E325 IonicContact NE-OE1 2.7Å; R263-E325 PolarHBondContact NE-OE1 3.3Å; R263-E325 IonicContact NE-OE2 3.06Å; R263-E325 PolarHBondContact NE-OE2 2.95Å; R263-E325 VanDerWaalsContact NH2-CD 3.26Å; R263-E325 IonicContact NH2-OE1 3.65Å; R263-E325 PolarHBondContact NH2-OE1 3.23Å; R263-E325 IonicContact NH2-OE2 3.96Å; R263-E325 PolarHBondContact NH2-OE2 2.9Å; R263-E325 PolarHBondContact O-N 3.1Å; R263-E325 VanDerWaalsContact O-N 3.16Å
264	N	91.3	Very high	92.3	Very high	37 Å²	37	55.7 Å²	55.7	20%	0.198	27%	0.27	C	S	.	.	S	Bend	trans	63.7	34.1	-174.9	-160	34.4	0	0	0	113.9	K202 D295 S322 V323	K202-N264 VanDerWaalsContact NZ-C 3.35Å; K202-N264 PolarHBondContact NZ-O 3.23Å; K202-N264 PolarHBondContact NZ-OD1 2.92Å; N264-D295 PolarHBondContact N-O 2.87Å; N264-S322 PolarHBondContact ND2-OG 3.29Å; N264-S322 VanDerWaalsContact ND2-OG 3.15Å; N264-S322 WeakPolarHBondContact O-CB 3.22Å; N264-S322 PolarHBondContact O-OG 2.88Å; N264-V323 PolarHBondContact ND2-O 3.06Å
265	L	92.2	Very high	92.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.277	C	S	.	.			trans	-65.7	161.3	168.1	-61.3	173.3	0	0	0	111.4	K202 I262 T269 L274 K292 D295 A297 L319 V324	K202-L265 WeakPolarHBondContact CE-O 3.37Å; K202-L265 PolarHBondContact NZ-O 2.67Å; I262-L265 HydrophobicContact CG2-CD2 3.82Å; I262-L265 HydrophobicContact CG2-CG 4.24Å; L265-T269 HydrophobicContact CD2-CG2 4.38Å; L265-L274 HydrophobicContact CD1-CD2 4Å; L265-L274 HydrophobicContact CD2-CD1 4.16Å; L265-K292 HydrophobicContact CD1-CD 4.45Å; L265-K292 HydrophobicContact CD1-CG 4.24Å; L265-D295 PolarHBondContact N-O 3.44Å; L265-A297 HydrophobicContact CD1-CB 3.67Å; L265-L319 HydrophobicContact CD2-CD2 4.28Å; L265-V324 HydrophobicContact CD2-CG1 3.86Å
266	M	90.2	Very high	92.8	Very high	40 Å²	40	60.6 Å²	60.6	20%	0.197	28%	0.282	C	S	.	.			trans	-74.4	160.2	166.4	-77	-69.3	-169.8	0	0	110.9	K202 H268 T269 K292 D320	K202-M266 HydrophobicContact CD-CE 3.84Å; K202-M266 HydrophobicContact CD-SD 3.69Å; K202-M266 WeakPolarHBondContact CE-SD 3.43Å; M266-H268 VanDerWaalsContact C-N 3.28Å; M266-H268 PolarHBondContact O-N 3.17Å; M266-T269 WeakPolarHBondContact CB-OG1 3.35Å; M266-T269 PolarHBondContact N-OG1 3.27Å; M266-T269 PolarHBondContact O-OG1 3.04Å; M266-K292 WeakPolarHBondContact O-CE 3.41Å; M266-K292 PolarHBondContact O-NZ 3.45Å; M266-D320 HydrophobicContact CB-CB 4.08Å; M266-D320 VanDerWaalsContact CE-O 3.23Å; M266-D320 WeakPolarHBondContact CE-O 3.31Å; M266-D320 HydrophobicContact CG-CB 3.78Å; M266-D320 VanDerWaalsContact CG-O 3.28Å; M266-D320 WeakPolarHBondContact CG-O 3.44Å
267	M	88.9	Confident	93	Very high	83 Å²	83	54.9 Å²	54.9	41%	0.409	26%	0.258	S	S	.	.	S	Bend	trans	-62.7	-37.2	171.6	-67.9	-62.7	94.5	0	0	112	A199 K292 R294 D295	A199-M267 HydrophobicContact CB-CE 3.97Å; A199-M267 WeakPolarHBondContact O-CE 3.16Å; A199-M267 WeakPolarHBondContact O-CG 3.13Å; M267-K292 PolarHBondContact O-NZ 3.13Å; M267-R294 HydrophobicContact CE-CB 4.26Å; M267-R294 WeakPolarHBondContact CE-O 3.45Å; M267-D295 HydrophobicContact CE-CB 3.64Å
268	H	90.2	Very high	93.1	Very high	126 Å²	126	54.2 Å²	54.2	58%	0.583	25%	0.254	S	S	*	.	S	Bend	trans	-81.5	-16.7	-176.4	56.3	-109.5	0	0	0	115.1	M266 T270	M266-H268 VanDerWaalsContact C-N 3.28Å; M266-H268 PolarHBondContact O-N 3.17Å; H268-T270 PolarHBondContact O-N 2.79Å
269	T	91.4	Very high	93.1	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.031	24%	0.242	C	C	.	.			trans	-51.7	123.8	174	-49	0	0	0	0	110.3	L265 M266 L274 K292 L319 D320	L265-T269 HydrophobicContact CD2-CG2 4.38Å; M266-T269 WeakPolarHBondContact CB-OG1 3.35Å; M266-T269 PolarHBondContact N-OG1 3.27Å; M266-T269 PolarHBondContact O-OG1 3.04Å; T269-L274 HydrophobicContact CG2-CB 4.45Å; T269-K292 VanDerWaalsContact O-CD 3.22Å; T269-K292 WeakPolarHBondContact O-CD 3.44Å; T269-K292 WeakPolarHBondContact O-CE 3.45Å; T269-K292 PolarHBondContact O-NZ 2.97Å; T269-L319 HydrophobicContact CG2-CD2 3.71Å; T269-D320 VanDerWaalsContact CA-OD2 3.22Å; T269-D320 WeakPolarHBondContact CA-OD2 3.37Å; T269-D320 WeakPolarHBondContact CB-OD2 3.44Å; T269-D320 VanDerWaalsContact CG2-OD2 3.26Å; T269-D320 WeakPolarHBondContact CG2-OD2 3.47Å; T269-D320 PolarHBondContact OG1-OD2 2.93Å
270	T	93.5	Very high	93	Very high	67 Å²	67	53.5 Å²	53.5	41%	0.411	26%	0.258	S	S	.	.			trans	-87.5	165.2	-179.9	67.7	0	0	0	0	111.9	H268 E272 H273 L274	H268-T270 PolarHBondContact O-N 2.79Å; T270-E272 VanDerWaalsContact CB-OE2 3.26Å; T270-E272 WeakPolarHBondContact CB-OE2 3.1Å; T270-E272 PolarHBondContact O-N 3.23Å; T270-E272 PolarHBondContact OG1-OE2 2.83Å; T270-H273 WeakPolarHBondContact OG1-CB 3.31Å; T270-H273 PolarHBondContact OG1-N 2.85Å; T270-L274 WeakPolarHBondContact O-CB 3.4Å; T270-L274 PolarHBondContact O-N 2.76Å
271	E	94	Very high	92.8	Very high	66 Å²	66	55.5 Å²	55.5	31%	0.308	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-31.8	173	-67.5	-165.1	171.4	0	0	110.6	K275 V290 K291 K292	E271-K275 WeakPolarHBondContact O-CB 3.11Å; E271-K275 PolarHBondContact O-N 3.49Å; E271-V290 HydrophobicContact CB-CB 4.48Å; E271-V290 HydrophobicContact CB-CG1 4.03Å; E271-V290 HydrophobicContact CG-CG1 4.21Å; E271-K291 WeakPolarHBondContact OE1-CA 3.39Å; E271-K292 HydrophobicContact CG-CB 3.72Å; E271-K292 PolarHBondContact OE1-N 3.36Å
272	E	93.7	Very high	92.6	Very high	123 Å²	123	52.8 Å²	52.8	58%	0.575	26%	0.26	S	S	*	.	H	α-helix	trans	-69.2	-46.5	178.6	-61	70.5	-156.7	0	0	111.8	T270 K275 Q276	T270-E272 VanDerWaalsContact CB-OE2 3.26Å; T270-E272 WeakPolarHBondContact CB-OE2 3.1Å; T270-E272 PolarHBondContact O-N 3.23Å; T270-E272 PolarHBondContact OG1-OE2 2.83Å; E272-K275 PolarHBondContact O-N 3Å; E272-Q276 VanDerWaalsContact O-CG 3.3Å; E272-Q276 WeakPolarHBondContact O-CG 3.35Å; E272-Q276 PolarHBondContact O-N 2.94Å
273	H	93.2	Very high	92.3	Very high	62 Å²	62	53.9 Å²	53.9	29%	0.287	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-43	177	-178.1	50.6	0	0	0	110.9	T270 K275 Q276 T277 D320	T270-H273 WeakPolarHBondContact OG1-CB 3.31Å; T270-H273 PolarHBondContact OG1-N 2.85Å; H273-K275 VanDerWaalsContact C-N 3.3Å; H273-K275 PolarHBondContact O-N 3.3Å; H273-Q276 PolarHBondContact O-N 2.87Å; H273-T277 PolarHBondContact CE1-OG1 3.46Å; H273-T277 PolarHBondContact NE2-OG1 3.04Å; H273-T277 PolarHBondContact O-N 3.37Å; H273-T277 PolarHBondContact O-OG1 2.83Å; H273-D320 IonicContact CD2-OD1 2.7Å; H273-D320 IonicContact CD2-OD2 2.77Å; H273-D320 IonicContact NE2-OD1 3.14Å
274	L	93.3	Very high	92.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-39.2	175.1	-173.1	64.2	0	0	0	111.6	I262 L265 T269 T270 V278 V290 A297 V299 L319	I262-L274 HydrophobicContact CD1-CD1 3.97Å; I262-L274 HydrophobicContact CD1-CD2 4.38Å; I262-L274 HydrophobicContact CD1-CG 4.46Å; L265-L274 HydrophobicContact CD1-CD2 4Å; L265-L274 HydrophobicContact CD2-CD1 4.16Å; T269-L274 HydrophobicContact CG2-CB 4.45Å; T270-L274 WeakPolarHBondContact O-CB 3.4Å; T270-L274 PolarHBondContact O-N 2.76Å; L274-V278 WeakPolarHBondContact O-CB 3.47Å; L274-V278 VanDerWaalsContact O-CG2 3.28Å; L274-V278 WeakPolarHBondContact O-CG2 3.44Å; L274-V278 PolarHBondContact O-N 3.11Å; L274-V278 VanDerWaalsContact O-N 3.11Å; L274-V290 HydrophobicContact CD2-CG1 4.07Å; L274-A297 HydrophobicContact CD2-CB 3.39Å; L274-V299 HydrophobicContact CD2-CG2 4.38Å; L274-L319 HydrophobicContact CD1-CD1 3.97Å
275	K	94.4	Very high	91.9	Very high	79 Å²	79	58.1 Å²	58.1	34%	0.343	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-48.8	174	-174.4	177.4	170.5	-177.7	0	111.4	E271 E272 H273 V278 E279 V287 V290	E271-K275 WeakPolarHBondContact O-CB 3.11Å; E271-K275 PolarHBondContact O-N 3.49Å; E272-K275 PolarHBondContact O-N 3Å; H273-K275 VanDerWaalsContact C-N 3.3Å; H273-K275 PolarHBondContact O-N 3.3Å; K275-V278 PolarHBondContact O-N 3.09Å; K275-E279 WeakPolarHBondContact CE-OE1 3.37Å; K275-E279 WeakPolarHBondContact CE-OE2 3.5Å; K275-E279 HydrophobicContact CG-CG 4.29Å; K275-E279 IonicContact NZ-OE1 3.86Å; K275-E279 PolarHBondContact NZ-OE1 2.89Å; K275-E279 IonicContact NZ-OE2 2.72Å; K275-E279 WeakPolarHBondContact O-CB 3.37Å; K275-E279 PolarHBondContact O-N 2.91Å; K275-V287 HydrophobicContact CG-CG1 4.33Å; K275-V290 HydrophobicContact CB-CG2 3.84Å; K275-V290 HydrophobicContact CG-CG2 4.27Å
276	Q	93.3	Very high	91.8	Very high	113 Å²	113	59.1 Å²	59.1	53%	0.528	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-49.2	179.3	-72.6	167.2	-5.3	0	0	111.8	E272 H273 V278 E279 N280	E272-Q276 VanDerWaalsContact O-CG 3.3Å; E272-Q276 WeakPolarHBondContact O-CG 3.35Å; E272-Q276 PolarHBondContact O-N 2.94Å; H273-Q276 PolarHBondContact O-N 2.87Å; Q276-V278 VanDerWaalsContact C-N 3.26Å; Q276-V278 PolarHBondContact O-N 3.12Å; Q276-E279 PolarHBondContact O-N 3.09Å; Q276-N280 WeakPolarHBondContact O-CB 3.28Å; Q276-N280 PolarHBondContact O-N 3.16Å; Q276-N280 PolarHBondContact O-ND2 3.27Å; Q276-N280 PolarHBondContact O-OD1 3.45Å
277	T	93.3	Very high	91.9	Very high	30 Å²	30	57.6 Å²	57.6	18%	0.184	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-34.5	179.3	-63.1	0	0	0	0	112.1	H273 L314 L319	H273-T277 PolarHBondContact CE1-OG1 3.46Å; H273-T277 PolarHBondContact NE2-OG1 3.04Å; H273-T277 PolarHBondContact O-N 3.37Å; H273-T277 PolarHBondContact O-OG1 2.83Å; T277-L314 HydrophobicContact CG2-CD1 3.97Å; T277-L319 HydrophobicContact CG2-CD1 4.03Å
278	V	93.7	Very high	92.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-71.8	-50	172.2	169.9	0	0	0	0	112.2	I262 L274 K275 Q276 N280 I281 S282 V287 V299 F301 V310 L314	I262-V278 HydrophobicContact CD1-CG2 4.44Å; L274-V278 WeakPolarHBondContact O-CB 3.47Å; L274-V278 VanDerWaalsContact O-CG2 3.28Å; L274-V278 WeakPolarHBondContact O-CG2 3.44Å; L274-V278 PolarHBondContact O-N 3.11Å; L274-V278 VanDerWaalsContact O-N 3.11Å; K275-V278 PolarHBondContact O-N 3.09Å; Q276-V278 VanDerWaalsContact C-N 3.26Å; Q276-V278 PolarHBondContact O-N 3.12Å; V278-N280 PolarHBondContact O-N 2.84Å; V278-I281 WeakPolarHBondContact O-CA 3.46Å; V278-I281 WeakPolarHBondContact O-CB 3.22Å; V278-I281 PolarHBondContact O-N 2.95Å; V278-S282 PolarHBondContact O-N 3.19Å; V278-S282 PolarHBondContact O-OG 3.05Å; V278-S282 VanDerWaalsContact O-OG 3.1Å; V278-V287 HydrophobicContact CB-CG2 4.32Å; V278-V287 HydrophobicContact CG1-CG2 3.46Å; V278-V287 VanDerWaalsContact CG1-CG2 3.46Å; V278-V299 HydrophobicContact CG1-CG1 4.3Å; V278-F301 HydrophobicContact CG1-CE1 3.54Å; V278-F301 HydrophobicContact CG1-CZ 3.45Å; V278-F301 VanDerWaalsContact CG1-CZ 3.45Å; V278-V310 HydrophobicContact CG1-CG1 4.11Å; V278-V310 HydrophobicContact CG1-CG2 4.03Å; V278-V310 HydrophobicContact CG2-CG1 4.09Å; V278-L314 HydrophobicContact CG2-CD2 4.26Å
279	E	93.5	Very high	92.2	Very high	35 Å²	35	60.4 Å²	60.4	16%	0.164	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-25.9	-178.3	-76	-173.9	142.5	0	0	112.9	K275 Q276 I281 G283 G285 V287	K275-E279 WeakPolarHBondContact CE-OE1 3.37Å; K275-E279 WeakPolarHBondContact CE-OE2 3.5Å; K275-E279 HydrophobicContact CG-CG 4.29Å; K275-E279 IonicContact NZ-OE1 3.86Å; K275-E279 PolarHBondContact NZ-OE1 2.89Å; K275-E279 IonicContact NZ-OE2 2.72Å; K275-E279 WeakPolarHBondContact O-CB 3.37Å; K275-E279 PolarHBondContact O-N 2.91Å; Q276-E279 PolarHBondContact O-N 3.09Å; E279-I281 PolarHBondContact O-N 3.16Å; E279-G283 CarbonylContact O-C 3.19Å; E279-G283 WeakPolarHBondContact O-CA 3.4Å; E279-G283 PolarHBondContact O-N 3.13Å; E279-G285 PolarHBondContact OE1-N 2.71Å; E279-V287 HydrophobicContact CG-CB 4.21Å; E279-V287 HydrophobicContact CG-CG2 3.79Å
280	N	92.9	Very high	92.4	Very high	138 Å²	138	60.8 Å²	60.8	74%	0.738	32%	0.324	S	S	*	.	H	α-helix	trans	-64	-25.3	169.6	-71.7	-18.2	0	0	0	112.9	Q276 V278	Q276-N280 WeakPolarHBondContact O-CB 3.28Å; Q276-N280 PolarHBondContact O-N 3.16Å; Q276-N280 PolarHBondContact O-ND2 3.27Å; Q276-N280 PolarHBondContact O-OD1 3.45Å; V278-N280 PolarHBondContact O-N 2.84Å
281	I	92.2	Very high	92.5	Very high	41 Å²	41	62.6 Å²	62.6	21%	0.21	33%	0.327	C	S	.	.	H	α-helix	trans	-96.1	-51.1	-179	-62.4	169.7	0	0	0	110.8	V278 E279 K309 V310 A313 L314	V278-I281 WeakPolarHBondContact O-CA 3.46Å; V278-I281 WeakPolarHBondContact O-CB 3.22Å; V278-I281 PolarHBondContact O-N 2.95Å; E279-I281 PolarHBondContact O-N 3.16Å; I281-K309 VanDerWaalsContact O-CE 3.28Å; I281-K309 WeakPolarHBondContact O-CE 3.34Å; I281-K309 PolarHBondContact O-NZ 2.73Å; I281-V310 HydrophobicContact CB-CG2 4.09Å; I281-V310 HydrophobicContact CG2-CG2 3.82Å; I281-A313 HydrophobicContact CD1-CB 4.48Å; I281-A313 HydrophobicContact CG2-CB 3.82Å; I281-L314 HydrophobicContact CD1-CB 4.23Å; I281-L314 HydrophobicContact CD1-CD1 4.04Å
282	S	91.7	Very high	92.4	Very high	13 Å²	13	61.1 Å²	61.1	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-80.3	-30.3	-178.6	47.4	0	0	0	0	113.5	V278 T286	V278-S282 PolarHBondContact O-N 3.19Å; V278-S282 PolarHBondContact O-OG 3.05Å; V278-S282 VanDerWaalsContact O-OG 3.1Å; S282-T286 VanDerWaalsContact CB-OG1 3.26Å; S282-T286 WeakPolarHBondContact CB-OG1 3.21Å; S282-T286 PolarHBondContact OG-OG1 2.8Å
283	G	88.8	Confident	92.3	Very high	22 Å²	22	58.1 Å²	58.1	23%	0.227	31%	0.306	C	S	.	.			trans	112.5	151.6	-171.9	0	0	0	0	0	111.9	E279 T286	E279-G283 CarbonylContact O-C 3.19Å; E279-G283 WeakPolarHBondContact O-CA 3.4Å; E279-G283 PolarHBondContact O-N 3.13Å; G283-T286 WeakPolarHBondContact O-CB 3.48Å; G283-T286 WeakPolarHBondContact O-CG2 3.42Å; G283-T286 PolarHBondContact O-N 3.34Å; G283-T286 PolarHBondContact O-OG1 2.73Å
284	P	87.8	Confident	92.1	Very high	120 Å²	120	62.9 Å²	62.9	78%	0.779	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	138.6	-177	26.4	-35	0	0	0	111.9	T286	P284-T286 VanDerWaalsContact C-N 3.3Å; P284-T286 PolarHBondContact O-N 3.23Å
285	G	87.1	Confident	92	Very high	58 Å²	58	63.4 Å²	63.4	60%	0.598	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	1.8	177.4	0	0	0	0	0	115.5	E279 V287	E279-G285 PolarHBondContact OE1-N 2.71Å; G285-V287 VanDerWaalsContact C-N 3.32Å
286	T	90.9	Very high	91.9	Very high	20 Å²	20	62.8 Å²	62.8	12%	0.123	32%	0.321	C	S	.	.			trans	-74.8	-20.3	173.5	53.6	0	0	0	0	113.5	S282 G283 P284 F301 T302	S282-T286 VanDerWaalsContact CB-OG1 3.26Å; S282-T286 WeakPolarHBondContact CB-OG1 3.21Å; S282-T286 PolarHBondContact OG-OG1 2.8Å; G283-T286 WeakPolarHBondContact O-CB 3.48Å; G283-T286 WeakPolarHBondContact O-CG2 3.42Å; G283-T286 PolarHBondContact O-N 3.34Å; G283-T286 PolarHBondContact O-OG1 2.73Å; P284-T286 VanDerWaalsContact C-N 3.3Å; P284-T286 PolarHBondContact O-N 3.23Å; T286-F301 WeakPolarHBondContact O-CA 3.38Å; T286-T302 PolarHBondContact O-N 2.88Å; T286-T302 PolarHBondContact O-OG1 3.18Å
287	V	92.9	Very high	92.1	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.048	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	106.3	-176.5	179.5	0	0	0	0	110.8	K275 V278 E279 G285 V290 V299 H300 F301	K275-V287 HydrophobicContact CG-CG1 4.33Å; V278-V287 HydrophobicContact CB-CG2 4.32Å; V278-V287 HydrophobicContact CG1-CG2 3.46Å; V278-V287 VanDerWaalsContact CG1-CG2 3.46Å; E279-V287 HydrophobicContact CG-CB 4.21Å; E279-V287 HydrophobicContact CG-CG2 3.79Å; G285-V287 VanDerWaalsContact C-N 3.32Å; V287-V290 HydrophobicContact CG1-CG2 3.92Å; V287-V299 HydrophobicContact CG1-CG1 3.76Å; V287-V299 HydrophobicContact CG2-CG1 4.24Å; V287-H300 WeakPolarHBondContact CA-O 3.37Å; V287-F301 HydrophobicContact CG2-CD1 4.33Å; V287-F301 HydrophobicContact CG2-CE1 3.98Å
288	E	92.9	Very high	92.2	Very high	121 Å²	121	59.2 Å²	59.2	57%	0.565	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	-42.4	174.7	-59.8	-178.8	161.5	0	0	111.7	H300	E288-H300 HydrophobicContact CB-CB 4Å; E288-H300 PolarHBondContact N-O 3.18Å; E288-H300 IonicContact OE2-ND1 3.73Å
289	R	92.7	Very high	92.3	Very high	147 Å²	147	59.2 Å²	59.2	56%	0.555	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.5	137.1	-171.7	-178.1	166.4	-169.9	114.5	18.4	112.9	V299 H300	R289-V299 WeakPolarHBondContact O-CA 3.49Å; R289-H300 HydrophobicContact CB-CB 4.19Å; R289-H300 PolarHBondContact O-N 3.41Å
290	V	95.1	Very high	92.4	Very high	13 Å²	13	59.7 Å²	59.7	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	152.4	159.5	-178.4	0	0	0	0	109.7	E271 L274 K275 V287 F298 V299	E271-V290 HydrophobicContact CB-CB 4.48Å; E271-V290 HydrophobicContact CB-CG1 4.03Å; E271-V290 HydrophobicContact CG-CG1 4.21Å; L274-V290 HydrophobicContact CD2-CG1 4.07Å; K275-V290 HydrophobicContact CB-CG2 3.84Å; K275-V290 HydrophobicContact CG-CG2 4.27Å; V287-V290 HydrophobicContact CG1-CG2 3.92Å; V290-F298 CarbonylContact C-O 3.54Å; V290-F298 WeakPolarHBondContact CA-O 3.36Å; V290-V299 HydrophobicContact CG2-CG1 4.37Å; V290-V299 HydrophobicContact CG2-CG2 4.37Å
291	K	94.6	Very high	92.5	Very high	106 Å²	106	53.2 Å²	53.2	46%	0.461	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	110.6	164.2	-175.2	-176.2	180	-176.5	0	110.2	E271 A297 F298	E271-K291 WeakPolarHBondContact OE1-CA 3.39Å; K291-A297 CarbonylContact O-C 3.54Å; K291-A297 VanDerWaalsContact O-CA 3.27Å; K291-A297 WeakPolarHBondContact O-CA 3.38Å; K291-F298 PolarHBondContact N-O 3.1Å; K291-F298 PolarHBondContact O-N 2.9Å
292	K	93.4	Very high	92.5	Very high	34 Å²	34	54.5 Å²	54.5	15%	0.148	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	144	175.1	-166.9	-176.5	-172.7	-143.9	0	110.9	L265 M266 M267 T269 E271 R294 Y296 A297	L265-K292 HydrophobicContact CD1-CD 4.45Å; L265-K292 HydrophobicContact CD1-CG 4.24Å; M266-K292 WeakPolarHBondContact O-CE 3.41Å; M266-K292 PolarHBondContact O-NZ 3.45Å; M267-K292 PolarHBondContact O-NZ 3.13Å; T269-K292 VanDerWaalsContact O-CD 3.22Å; T269-K292 WeakPolarHBondContact O-CD 3.44Å; T269-K292 WeakPolarHBondContact O-CE 3.45Å; T269-K292 PolarHBondContact O-NZ 2.97Å; E271-K292 HydrophobicContact CG-CB 3.72Å; E271-K292 PolarHBondContact OE1-N 3.36Å; K292-R294 WeakPolarHBondContact CE-O 3.37Å; K292-R294 PolarHBondContact NZ-O 3.41Å; K292-Y296 WeakPolarHBondContact CG-O 3.47Å; K292-A297 HydrophobicContact CB-CB 4.19Å; K292-A297 HydrophobicContact CG-CB 4.29Å
293	I	91	Very high	92.6	Very high	60 Å²	60	60.2 Å²	60.2	31%	0.308	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	101.9	171.6	-52.4	178.7	0	0	0	107	D295 Y296	I293-D295 PolarHBondContact O-N 2.94Å; I293-D295 VanDerWaalsContact O-N 3.13Å; I293-Y296 CarbonylContact C-O 3.59Å; I293-Y296 HydrophobicContact CB-CD2 4.3Å; I293-Y296 HydrophobicContact CB-CE1 4.41Å; I293-Y296 HydrophobicContact CB-CE2 3.69Å; I293-Y296 HydrophobicContact CD1-CE2 4.13Å; I293-Y296 HydrophobicContact CG1-CE2 4.28Å; I293-Y296 HydrophobicContact CG2-CE1 4.4Å; I293-Y296 HydrophobicContact CG2-CE2 4.28Å; I293-Y296 PolarHBondContact N-O 2.9Å; I293-Y296 VanDerWaalsContact O-CD1 3.26Å; I293-Y296 WeakPolarHBondContact O-CD1 3.46Å; I293-Y296 WeakPolarHBondContact O-CE1 3.35Å; I293-Y296 PolarHBondContact O-N 3.38Å
294	R	89.3	Confident	92.8	Very high	162 Å²	162	61.9 Å²	61.9	61%	0.611	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	-109.5	-178	-55	178.3	66.9	178.5	2.5	112.7	M267 K292	M267-R294 HydrophobicContact CE-CB 4.26Å; M267-R294 WeakPolarHBondContact CE-O 3.45Å; K292-R294 WeakPolarHBondContact CE-O 3.37Å; K292-R294 PolarHBondContact NZ-O 3.41Å
295	D	90.2	Very high	93.1	Very high	12 Å²	12	61 Å²	61	6%	0.064	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	6.5	-173.9	51.6	-59.7	0	0	0	113.7	A199 R206 N264 L265 M267 I293	A199-D295 HydrophobicContact CB-CB 3.98Å; R206-D295 IonicContact CZ-OD2 2.81Å; R206-D295 IonicContact NH1-OD2 3.99Å; R206-D295 PolarHBondContact NH1-OD2 3.21Å; R206-D295 IonicContact NH2-OD2 3.93Å; R206-D295 PolarHBondContact NH2-OD2 3.27Å; N264-D295 PolarHBondContact N-O 2.87Å; L265-D295 PolarHBondContact N-O 3.44Å; M267-D295 HydrophobicContact CE-CB 3.64Å; I293-D295 PolarHBondContact O-N 2.94Å; I293-D295 VanDerWaalsContact O-N 3.13Å
296	Y	93.9	Very high	93.4	Very high	65 Å²	65	59.1 Å²	59.1	26%	0.255	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	165.2	176.5	62.8	-91.7	0	0	0	112.1	Y261 I262 K292 I293 F298	Y261-Y296 HydrophobicContact CD2-CD2 4.33Å; Y261-Y296 AromaticContact CE2-CD2 3.61Å; Y261-Y296 HydrophobicContact CE2-CD2 3.61Å; Y261-Y296 HydrophobicContact CE2-CE2 4.4Å; Y261-Y296 AromaticContact CE2-CG 3.8Å; Y261-Y296 HydrophobicContact CE2-CG 3.8Å; I262-Y296 CarbonylContact O-C 3.53Å; I262-Y296 WeakPolarHBondContact O-CA 3.32Å; I262-Y296 VanDerWaalsContact O-CB 3.31Å; I262-Y296 WeakPolarHBondContact O-CB 3.41Å; K292-Y296 WeakPolarHBondContact CG-O 3.47Å; I293-Y296 CarbonylContact C-O 3.59Å; I293-Y296 HydrophobicContact CB-CD2 4.3Å; I293-Y296 HydrophobicContact CB-CE1 4.41Å; I293-Y296 HydrophobicContact CB-CE2 3.69Å; I293-Y296 HydrophobicContact CD1-CE2 4.13Å; I293-Y296 HydrophobicContact CG1-CE2 4.28Å; I293-Y296 HydrophobicContact CG2-CE1 4.4Å; I293-Y296 HydrophobicContact CG2-CE2 4.28Å; I293-Y296 PolarHBondContact N-O 2.9Å; I293-Y296 VanDerWaalsContact O-CD1 3.26Å; I293-Y296 WeakPolarHBondContact O-CD1 3.46Å; I293-Y296 WeakPolarHBondContact O-CE1 3.35Å; I293-Y296 PolarHBondContact O-N 3.38Å; Y296-F298 HydrophobicContact CD2-CE2 4.16Å; Y296-F298 AromaticContact CE2-CE2 3.91Å; Y296-F298 HydrophobicContact CE2-CE2 3.91Å; Y296-F298 HydrophobicContact CE2-CZ 4.49Å
297	A	95.7	Very high	93.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.3	176.5	0	0	0	0	0	111.9	Y261 I262 L265 L274 K291 K292	Y261-A297 WeakPolarHBondContact CA-O 3.31Å; I262-A297 PolarHBondContact N-O 3.07Å; I262-A297 PolarHBondContact O-N 3.49Å; L265-A297 HydrophobicContact CD1-CB 3.67Å; L274-A297 HydrophobicContact CD2-CB 3.39Å; K291-A297 CarbonylContact O-C 3.54Å; K291-A297 VanDerWaalsContact O-CA 3.27Å; K291-A297 WeakPolarHBondContact O-CA 3.38Å; K292-A297 HydrophobicContact CB-CB 4.19Å; K292-A297 HydrophobicContact CG-CB 4.29Å
298	F	96.1	Very high	93.7	Very high	68 Å²	68	60.8 Å²	60.8	30%	0.298	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.8	166.4	-63.3	-80.3	0	0	0	109.7	L260 Y261 V290 K291 Y296 A329	L260-F298 VanDerWaalsContact O-CA 3.3Å; L260-F298 WeakPolarHBondContact O-CA 3.29Å; Y261-F298 HydrophobicContact CD2-CD1 4.1Å; Y261-F298 AromaticContact CD2-CE1 3.52Å; Y261-F298 HydrophobicContact CD2-CE1 3.52Å; Y261-F298 AromaticContact CD2-CZ 3.76Å; Y261-F298 HydrophobicContact CD2-CZ 3.76Å; Y261-F298 HydrophobicContact CE2-CE1 4.39Å; Y261-F298 HydrophobicContact CE2-CZ 4.2Å; Y261-F298 HydrophobicContact CG-CE1 4.16Å; V290-F298 CarbonylContact C-O 3.54Å; V290-F298 WeakPolarHBondContact CA-O 3.36Å; K291-F298 PolarHBondContact N-O 3.1Å; K291-F298 PolarHBondContact O-N 2.9Å; Y296-F298 HydrophobicContact CD2-CE2 4.16Å; Y296-F298 AromaticContact CE2-CE2 3.91Å; Y296-F298 HydrophobicContact CE2-CE2 3.91Å; Y296-F298 HydrophobicContact CE2-CZ 4.49Å; F298-A329 HydrophobicContact CD1-CB 3.93Å; F298-A329 HydrophobicContact CE1-CB 4.08Å
299	V	96	Very high	93.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.6	175.5	-173.4	0	0	0	0	108.3	K259 L260 I262 L274 V278 V287 R289 V290 F301	K259-V299 CarbonylContact C-O 3.52Å; K259-V299 VanDerWaalsContact CA-O 3.25Å; K259-V299 WeakPolarHBondContact CA-O 3.27Å; L260-V299 PolarHBondContact N-O 3.31Å; L260-V299 PolarHBondContact O-N 3.26Å; I262-V299 HydrophobicContact CD1-CG2 3.72Å; I262-V299 HydrophobicContact CG1-CG2 4.49Å; L274-V299 HydrophobicContact CD2-CG2 4.38Å; V278-V299 HydrophobicContact CG1-CG1 4.3Å; V287-V299 HydrophobicContact CG1-CG1 3.76Å; V287-V299 HydrophobicContact CG2-CG1 4.24Å; R289-V299 WeakPolarHBondContact O-CA 3.49Å; V290-V299 HydrophobicContact CG2-CG1 4.37Å; V290-V299 HydrophobicContact CG2-CG2 4.37Å; V299-F301 HydrophobicContact CB-CE2 3.91Å; V299-F301 HydrophobicContact CB-CZ 4.44Å; V299-F301 HydrophobicContact CG1-CD2 4.2Å; V299-F301 HydrophobicContact CG1-CE1 4.49Å; V299-F301 HydrophobicContact CG1-CE2 3.51Å; V299-F301 HydrophobicContact CG1-CZ 3.7Å
300	H	94.8	Very high	93.9	Very high	46 Å²	46	53.4 Å²	53.4	21%	0.213	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.6	175.8	-69.1	-166.4	0	0	0	110.2	K259 V287 E288 R289	K259-H300 WeakPolarHBondContact CE-NE2 3.26Å; K259-H300 PolarHBondContact NZ-CE1 3.09Å; K259-H300 PolarHBondContact NZ-NE2 3.45Å; K259-H300 VanDerWaalsContact NZ-NE2 3.11Å; V287-H300 WeakPolarHBondContact CA-O 3.37Å; E288-H300 HydrophobicContact CB-CB 4Å; E288-H300 PolarHBondContact N-O 3.18Å; E288-H300 IonicContact OE2-ND1 3.73Å; R289-H300 HydrophobicContact CB-CB 4.19Å; R289-H300 PolarHBondContact O-N 3.41Å
301	F	95.1	Very high	93.9	Very high	1 Å²	1	55 Å²	55	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.8	177.1	-64.8	-96.8	0	0	0	111.4	K258 L260 V278 T286 V287 V299 R303 D306 A307 V310	K258-F301 WeakPolarHBondContact CB-O 3.32Å; K258-F301 PolarHBondContact O-N 3.06Å; L260-F301 HydrophobicContact CB-CE2 4.25Å; L260-F301 HydrophobicContact CD1-CE2 3.55Å; L260-F301 HydrophobicContact CD1-CZ 3.85Å; L260-F301 HydrophobicContact CG-CD2 4.41Å; L260-F301 HydrophobicContact CG-CE2 3.69Å; L260-F301 HydrophobicContact CG-CZ 4.48Å; V278-F301 HydrophobicContact CG1-CE1 3.54Å; V278-F301 HydrophobicContact CG1-CZ 3.45Å; V278-F301 VanDerWaalsContact CG1-CZ 3.45Å; T286-F301 WeakPolarHBondContact O-CA 3.38Å; V287-F301 HydrophobicContact CG2-CD1 4.33Å; V287-F301 HydrophobicContact CG2-CE1 3.98Å; V299-F301 HydrophobicContact CB-CE2 3.91Å; V299-F301 HydrophobicContact CB-CZ 4.44Å; V299-F301 HydrophobicContact CG1-CD2 4.2Å; V299-F301 HydrophobicContact CG1-CE1 4.49Å; V299-F301 HydrophobicContact CG1-CE2 3.51Å; V299-F301 HydrophobicContact CG1-CZ 3.7Å; F301-R303 VanDerWaalsContact CB-O 3.25Å; F301-R303 WeakPolarHBondContact CB-O 3.32Å; F301-R303 PolarHBondContact O-N 3.22Å; F301-D306 HydrophobicContact CB-CB 4.5Å; F301-D306 HydrophobicContact CD1-CB 3.78Å; F301-D306 HydrophobicContact CE1-CB 4.44Å; F301-D306 HydrophobicContact CG-CB 4.44Å; F301-A307 HydrophobicContact CB-CB 4.26Å; F301-A307 HydrophobicContact CD2-CB 3.58Å; F301-A307 HydrophobicContact CE2-CB 4.03Å; F301-A307 HydrophobicContact CG-CB 3.93Å; F301-V310 HydrophobicContact CE1-CB 4.41Å; F301-V310 HydrophobicContact CE1-CG2 3.92Å; F301-V310 HydrophobicContact CZ-CB 4.01Å; F301-V310 HydrophobicContact CZ-CG1 4.09Å; F301-V310 HydrophobicContact CZ-CG2 3.99Å
302	T	92.8	Very high	93.9	Very high	69 Å²	69	55.6 Å²	55.6	42%	0.423	25%	0.251	S	S	.	.	S	Bend	trans	-65.9	-29.5	175.8	-46.9	0	0	0	0	111.9	K258 T286	K258-T302 WeakPolarHBondContact CD-O 3.37Å; K258-T302 WeakPolarHBondContact CE-O 3.42Å; K258-T302 PolarHBondContact NZ-O 3.25Å; T286-T302 PolarHBondContact O-N 2.88Å; T286-T302 PolarHBondContact O-OG1 3.18Å
303	R	93.6	Very high	94	Very high	133 Å²	133	56.6 Å²	56.6	50%	0.502	27%	0.266	S	S	.	.	S	Bend	trans	-124.1	164.8	-179.5	-54.8	173	65.4	173.4	-1.4	110.8	F301 E305 D306	F301-R303 VanDerWaalsContact CB-O 3.25Å; F301-R303 WeakPolarHBondContact CB-O 3.32Å; F301-R303 PolarHBondContact O-N 3.22Å; R303-E305 IonicContact CZ-OE2 3.32Å; R303-E305 IonicContact NE-OE2 2.67Å; R303-E305 PolarHBondContact NE-OE2 3.32Å; R303-E305 IonicContact NH2-OE2 3.48Å; R303-E305 PolarHBondContact NH2-OE2 2.94Å; R303-D306 WeakPolarHBondContact CB-OD2 3.39Å; R303-D306 WeakPolarHBondContact CD-OD2 3.43Å
304	R	93.3	Very high	94.1	Very high	57 Å²	57	54 Å²	54	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-84.8	-36.3	174.7	174.3	174.4	177.4	90.1	-8.2	111.3	M254 A255 V257 K258 D306 A307 I308	M254-R304 PolarHBondContact O-NH1 3.4Å; M254-R304 PolarHBondContact O-NH2 3.04Å; A255-R304 WeakPolarHBondContact O-CD 3.44Å; A255-R304 PolarHBondContact O-NE 3.28Å; A255-R304 PolarHBondContact O-NH1 3.27Å; V257-R304 PolarHBondContact O-NH1 3.35Å; K258-R304 HydrophobicContact CG-CB 4.39Å; R304-D306 VanDerWaalsContact C-N 3.3Å; R304-D306 PolarHBondContact O-N 2.81Å; R304-A307 WeakPolarHBondContact O-CA 3.24Å; R304-A307 WeakPolarHBondContact O-CB 3.11Å; R304-A307 PolarHBondContact O-N 3.39Å; R304-I308 HydrophobicContact CG-CD1 3.87Å; R304-I308 HydrophobicContact CG-CG1 4.25Å; R304-I308 PolarHBondContact O-N 3.47Å
305	E	93.8	Very high	94.3	Very high	101 Å²	101	48.6 Å²	48.6	47%	0.472	24%	0.236	S	C	.	.	H	α-helix	trans	-57.5	-43.8	-178.2	-48.1	87.6	-86.7	0	0	110.8	R303 A307 I308 K309	R303-E305 IonicContact CZ-OE2 3.32Å; R303-E305 IonicContact NE-OE2 2.67Å; R303-E305 PolarHBondContact NE-OE2 3.32Å; R303-E305 IonicContact NH2-OE2 3.48Å; R303-E305 PolarHBondContact NH2-OE2 2.94Å; E305-A307 VanDerWaalsContact C-N 3.33Å; E305-A307 PolarHBondContact O-N 2.87Å; E305-I308 PolarHBondContact O-N 3.48Å; E305-K309 WeakPolarHBondContact O-CB 3.38Å; E305-K309 PolarHBondContact O-N 3.24Å
306	D	94.6	Very high	94.4	Very high	19 Å²	19	53.3 Å²	53.3	10%	0.102	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-39.7	175	-55.1	-23.9	0	0	0	111.9	F301 R303 R304 V310	F301-D306 HydrophobicContact CB-CB 4.5Å; F301-D306 HydrophobicContact CD1-CB 3.78Å; F301-D306 HydrophobicContact CE1-CB 4.44Å; F301-D306 HydrophobicContact CG-CB 4.44Å; R303-D306 WeakPolarHBondContact CB-OD2 3.39Å; R303-D306 WeakPolarHBondContact CD-OD2 3.43Å; R304-D306 VanDerWaalsContact C-N 3.3Å; R304-D306 PolarHBondContact O-N 2.81Å; D306-V310 VanDerWaalsContact O-CG2 3.3Å; D306-V310 WeakPolarHBondContact O-CG2 3.27Å; D306-V310 PolarHBondContact O-N 2.57Å
307	A	94	Very high	94.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.7	-40	177.7	0	0	0	0	0	111.9	L260 F301 R304 E305 V310 Q311	L260-A307 WeakPolarHBondContact CD1-O 3.45Å; L260-A307 HydrophobicContact CD2-CB 4.22Å; L260-A307 HydrophobicContact CG-CB 4.15Å; F301-A307 HydrophobicContact CB-CB 4.26Å; F301-A307 HydrophobicContact CD2-CB 3.58Å; F301-A307 HydrophobicContact CE2-CB 4.03Å; F301-A307 HydrophobicContact CG-CB 3.93Å; R304-A307 WeakPolarHBondContact O-CA 3.24Å; R304-A307 WeakPolarHBondContact O-CB 3.11Å; R304-A307 PolarHBondContact O-N 3.39Å; E305-A307 VanDerWaalsContact C-N 3.33Å; E305-A307 PolarHBondContact O-N 2.87Å; A307-V310 PolarHBondContact O-N 3.44Å; A307-Q311 WeakPolarHBondContact O-CB 3.38Å; A307-Q311 PolarHBondContact O-N 2.85Å
308	I	94.6	Very high	94.2	Very high	62 Å²	62	58 Å²	58	32%	0.318	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-48	174.7	-65.7	171.3	0	0	0	110	R304 E305 V310 Q311 D312	R304-I308 HydrophobicContact CG-CD1 3.87Å; R304-I308 HydrophobicContact CG-CG1 4.25Å; R304-I308 PolarHBondContact O-N 3.47Å; E305-I308 PolarHBondContact O-N 3.48Å; I308-V310 PolarHBondContact O-N 2.88Å; I308-Q311 WeakPolarHBondContact O-CA 3.14Å; I308-Q311 WeakPolarHBondContact O-CB 3.31Å; I308-Q311 PolarHBondContact O-N 3.27Å; I308-D312 WeakPolarHBondContact CG2-OD2 3.34Å; I308-D312 PolarHBondContact O-N 2.96Å
309	K	94.5	Very high	93.9	Very high	113 Å²	113	55.2 Å²	55.2	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-54.6	-40.7	176.9	-171	-167.6	-177.5	-163.8	0	112.3	I281 E305 A313	I281-K309 VanDerWaalsContact O-CE 3.28Å; I281-K309 WeakPolarHBondContact O-CE 3.34Å; I281-K309 PolarHBondContact O-NZ 2.73Å; E305-K309 WeakPolarHBondContact O-CB 3.38Å; E305-K309 PolarHBondContact O-N 3.24Å; K309-A313 VanDerWaalsContact O-CB 3.24Å; K309-A313 WeakPolarHBondContact O-CB 3.31Å; K309-A313 PolarHBondContact O-N 3.48Å
310	V	95.1	Very high	93.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-75.3	-35	176.4	172.6	0	0	0	0	111.9	L260 V278 I281 F301 D306 A307 I308 L314	L260-V310 HydrophobicContact CD1-CB 3.88Å; L260-V310 HydrophobicContact CD1-CG1 3.62Å; V278-V310 HydrophobicContact CG1-CG1 4.11Å; V278-V310 HydrophobicContact CG1-CG2 4.03Å; V278-V310 HydrophobicContact CG2-CG1 4.09Å; I281-V310 HydrophobicContact CB-CG2 4.09Å; I281-V310 HydrophobicContact CG2-CG2 3.82Å; F301-V310 HydrophobicContact CE1-CB 4.41Å; F301-V310 HydrophobicContact CE1-CG2 3.92Å; F301-V310 HydrophobicContact CZ-CB 4.01Å; F301-V310 HydrophobicContact CZ-CG1 4.09Å; F301-V310 HydrophobicContact CZ-CG2 3.99Å; D306-V310 VanDerWaalsContact O-CG2 3.3Å; D306-V310 WeakPolarHBondContact O-CG2 3.27Å; D306-V310 PolarHBondContact O-N 2.57Å; A307-V310 PolarHBondContact O-N 3.44Å; I308-V310 PolarHBondContact O-N 2.88Å; V310-L314 HydrophobicContact CG1-CB 4.3Å; V310-L314 HydrophobicContact CG1-CD2 4.14Å; V310-L314 WeakPolarHBondContact O-CB 3.45Å; V310-L314 PolarHBondContact O-N 3.27Å
311	Q	95.3	Very high	93.1	Very high	46 Å²	46	58.4 Å²	58.4	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-53.5	173	178.4	175.3	-24.9	0	0	111	L260 A307 I308 A313 N315 V326	L260-Q311 HydrophobicContact CD2-CB 4.01Å; A307-Q311 WeakPolarHBondContact O-CB 3.38Å; A307-Q311 PolarHBondContact O-N 2.85Å; I308-Q311 WeakPolarHBondContact O-CA 3.14Å; I308-Q311 WeakPolarHBondContact O-CB 3.31Å; I308-Q311 PolarHBondContact O-N 3.27Å; Q311-A313 VanDerWaalsContact C-N 3.29Å; Q311-A313 PolarHBondContact O-N 3.19Å; Q311-N315 WeakPolarHBondContact O-CB 3.33Å; Q311-N315 PolarHBondContact O-N 3.24Å; Q311-V326 HydrophobicContact CB-CG1 4.21Å; Q311-V326 HydrophobicContact CG-CG1 4.35Å; Q311-V326 WeakPolarHBondContact CG-O 3.35Å
312	D	95.3	Very high	92.8	Very high	119 Å²	119	58.6 Å²	58.6	64%	0.636	31%	0.314	S	S	*	.	H	α-helix	trans	-69.3	-27.4	-173.8	-58.6	-24	0	0	0	112.6	I308	I308-D312 WeakPolarHBondContact CG2-OD2 3.34Å; I308-D312 PolarHBondContact O-N 2.96Å
313	A	94.5	Very high	92.7	Very high	55 Å²	55	59 Å²	59	46%	0.455	32%	0.316	S	S	.	.	H	α-helix	trans	-94.4	-19.8	-179.4	0	0	0	0	0	115.1	I281 K309 Q311 T317	I281-A313 HydrophobicContact CD1-CB 4.48Å; I281-A313 HydrophobicContact CG2-CB 3.82Å; K309-A313 VanDerWaalsContact O-CB 3.24Å; K309-A313 WeakPolarHBondContact O-CB 3.31Å; K309-A313 PolarHBondContact O-N 3.48Å; Q311-A313 VanDerWaalsContact C-N 3.29Å; Q311-A313 PolarHBondContact O-N 3.19Å; A313-T317 WeakPolarHBondContact O-CG2 3.47Å
314	L	93.4	Very high	92.7	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-110.3	-20.2	-176.5	-166.7	70	0	0	0	113.1	I262 T277 V278 I281 V310 T317 V324 V326	I262-L314 HydrophobicContact CD1-CD2 4.01Å; T277-L314 HydrophobicContact CG2-CD1 3.97Å; V278-L314 HydrophobicContact CG2-CD2 4.26Å; I281-L314 HydrophobicContact CD1-CB 4.23Å; I281-L314 HydrophobicContact CD1-CD1 4.04Å; V310-L314 HydrophobicContact CG1-CB 4.3Å; V310-L314 HydrophobicContact CG1-CD2 4.14Å; V310-L314 WeakPolarHBondContact O-CB 3.45Å; V310-L314 PolarHBondContact O-N 3.27Å; L314-T317 WeakPolarHBondContact CD1-OG1 3.48Å; L314-T317 WeakPolarHBondContact O-CB 3.24Å; L314-T317 PolarHBondContact O-N 3.02Å; L314-T317 PolarHBondContact O-OG1 3.5Å; L314-V324 HydrophobicContact CG-CG2 4.31Å; L314-V326 HydrophobicContact CB-CG2 4.09Å; L314-V326 HydrophobicContact CD2-CG2 4.13Å; L314-V326 HydrophobicContact CG-CG2 4.06Å
315	N	93.8	Very high	92.7	Very high	50 Å²	50	51.9 Å²	51.9	27%	0.267	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	138.1	175.5	-174.1	70.4	0	0	0	111.7	Q311 T317 E325 V326	Q311-N315 WeakPolarHBondContact O-CB 3.33Å; Q311-N315 PolarHBondContact O-N 3.24Å; N315-T317 PolarHBondContact O-N 3.4Å; N315-T317 VanDerWaalsContact O-N 3.14Å; N315-E325 WeakPolarHBondContact OD1-CA 3.49Å; N315-V326 HydrophobicContact CB-CB 4.07Å; N315-V326 HydrophobicContact CB-CG2 4.49Å; N315-V326 PolarHBondContact OD1-N 3.34Å; N315-V326 PolarHBondContact OD1-O 3.29Å
316	D	92	Very high	92.8	Very high	111 Å²	111	47.1 Å²	47.1	59%	0.594	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	15.4	-176.2	-59.9	-48.3	0	0	0	115.2	V323 V324	D316-V323 HydrophobicContact CB-CG1 4.41Å; D316-V324 WeakPolarHBondContact CA-O 3.14Å; D316-V324 PolarHBondContact N-O 3.11Å
317	T	93.6	Very high	92.8	Very high	47 Å²	47	51.3 Å²	51.3	29%	0.288	29%	0.286	S	S	.	.			trans	-84.4	158.3	171.3	68.1	0	0	0	0	112.4	A313 L314 N315 V323 V324	A313-T317 WeakPolarHBondContact O-CG2 3.47Å; L314-T317 WeakPolarHBondContact CD1-OG1 3.48Å; L314-T317 WeakPolarHBondContact O-CB 3.24Å; L314-T317 PolarHBondContact O-N 3.02Å; L314-T317 PolarHBondContact O-OG1 3.5Å; N315-T317 PolarHBondContact O-N 3.4Å; N315-T317 VanDerWaalsContact O-N 3.14Å; T317-V323 CarbonylContact O-C 3.55Å; T317-V323 VanDerWaalsContact O-CA 3.29Å; T317-V323 WeakPolarHBondContact O-CA 3.35Å; T317-V324 WeakPolarHBondContact O-CG2 3.3Å; T317-V324 PolarHBondContact O-N 2.87Å
318	N	91.7	Very high	92.8	Very high	116 Å²	116	52.9 Å²	52.9	62%	0.62	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.9	177.5	-175.2	2.4	0	0	0	111.3	G321 S322	N318-G321 WeakPolarHBondContact OD1-CA 3.36Å; N318-G321 PolarHBondContact OD1-N 3.3Å; N318-S322 PolarHBondContact OD1-N 2.75Å
319	L	90	Very high	92.8	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.047	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.9	177.6	-168.7	159.9	0	0	0	109	L265 T269 L274 T277 G321 S322 V324	L265-L319 HydrophobicContact CD2-CD2 4.28Å; T269-L319 HydrophobicContact CG2-CD2 3.71Å; L274-L319 HydrophobicContact CD1-CD1 3.97Å; T277-L319 HydrophobicContact CG2-CD1 4.03Å; L319-G321 PolarHBondContact O-N 2.94Å; L319-G321 VanDerWaalsContact O-N 3.16Å; L319-S322 PolarHBondContact N-O 3.25Å; L319-S322 PolarHBondContact O-N 3.15Å; L319-S322 VanDerWaalsContact O-O 3.09Å; L319-V324 HydrophobicContact CB-CG1 3.84Å; L319-V324 HydrophobicContact CB-CG2 4.22Å
320	D	87.4	Confident	92.6	Very high	56 Å²	56	49.2 Å²	49.2	30%	0.299	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	29.3	-175.1	-65	-25.3	0	0	0	114.9	M266 T269 H273	M266-D320 HydrophobicContact CB-CB 4.08Å; M266-D320 VanDerWaalsContact CE-O 3.23Å; M266-D320 WeakPolarHBondContact CE-O 3.31Å; M266-D320 HydrophobicContact CG-CB 3.78Å; M266-D320 VanDerWaalsContact CG-O 3.28Å; M266-D320 WeakPolarHBondContact CG-O 3.44Å; T269-D320 VanDerWaalsContact CA-OD2 3.22Å; T269-D320 WeakPolarHBondContact CA-OD2 3.37Å; T269-D320 WeakPolarHBondContact CB-OD2 3.44Å; T269-D320 VanDerWaalsContact CG2-OD2 3.26Å; T269-D320 WeakPolarHBondContact CG2-OD2 3.47Å; T269-D320 PolarHBondContact OG1-OD2 2.93Å; H273-D320 IonicContact CD2-OD1 2.7Å; H273-D320 IonicContact CD2-OD2 2.77Å; H273-D320 IonicContact NE2-OD1 3.14Å
321	G	86.3	Confident	92.1	Very high	57 Å²	57	51.5 Å²	51.5	59%	0.588	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	19.3	-176.3	0	0	0	0	0	114	N318 L319	N318-G321 WeakPolarHBondContact OD1-CA 3.36Å; N318-G321 PolarHBondContact OD1-N 3.3Å; L319-G321 PolarHBondContact O-N 2.94Å; L319-G321 VanDerWaalsContact O-N 3.16Å
322	S	88.7	Confident	91.3	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.3	171.6	-172.4	0	0	0	0	111.5	K202 N264 N318 L319 V324	K202-S322 WeakPolarHBondContact CD-OG 3.47Å; K202-S322 VanDerWaalsContact CE-OG 3.32Å; K202-S322 WeakPolarHBondContact CE-OG 3.47Å; K202-S322 PolarHBondContact NZ-OG 3.39Å; N264-S322 PolarHBondContact ND2-OG 3.29Å; N264-S322 VanDerWaalsContact ND2-OG 3.15Å; N264-S322 WeakPolarHBondContact O-CB 3.22Å; N264-S322 PolarHBondContact O-OG 2.88Å; N318-S322 PolarHBondContact OD1-N 2.75Å; L319-S322 PolarHBondContact N-O 3.25Å; L319-S322 PolarHBondContact O-N 3.15Å; L319-S322 VanDerWaalsContact O-O 3.09Å; S322-V324 PolarHBondContact O-N 3.48Å
323	V	91.9	Very high	89.9	Confident	76 Å²	76	50.4 Å²	50.4	46%	0.461	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	122.5	168	-176.9	0	0	0	0	109	N264 D316 T317	N264-V323 PolarHBondContact ND2-O 3.06Å; D316-V323 HydrophobicContact CB-CG1 4.41Å; T317-V323 CarbonylContact O-C 3.55Å; T317-V323 VanDerWaalsContact O-CA 3.29Å; T317-V323 WeakPolarHBondContact O-CA 3.35Å
324	V	93.3	Very high	88.5	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	31%	0.308	C	S	.	.			trans	-101.5	143.2	-179.9	-65.2	0	0	0	0	111.4	I262 L265 L314 D316 T317 L319 S322 V326	I262-V324 HydrophobicContact CG2-CB 4.3Å; L265-V324 HydrophobicContact CD2-CG1 3.86Å; L314-V324 HydrophobicContact CG-CG2 4.31Å; D316-V324 WeakPolarHBondContact CA-O 3.14Å; D316-V324 PolarHBondContact N-O 3.11Å; T317-V324 WeakPolarHBondContact O-CG2 3.3Å; T317-V324 PolarHBondContact O-N 2.87Å; L319-V324 HydrophobicContact CB-CG1 3.84Å; L319-V324 HydrophobicContact CB-CG2 4.22Å; S322-V324 PolarHBondContact O-N 3.48Å; V324-V326 HydrophobicContact CG2-CG2 4.49Å
325	E	93.3	Very high	86.5	Confident	41 Å²	41	58.6 Å²	58.6	19%	0.192	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.6	176.4	-179	-170.9	145.7	0	0	109.1	I262 R263 N315 K327	I262-E325 WeakPolarHBondContact CA-O 3.45Å; R263-E325 HydrophobicContact CG-CB 3.87Å; R263-E325 HydrophobicContact CG-CG 4.47Å; R263-E325 IonicContact CZ-OE1 3.3Å; R263-E325 VanDerWaalsContact CZ-OE1 3.32Å; R263-E325 IonicContact CZ-OE2 2.76Å; R263-E325 PolarHBondContact N-O 3.32Å; R263-E325 IonicContact NE-OE1 2.7Å; R263-E325 PolarHBondContact NE-OE1 3.3Å; R263-E325 IonicContact NE-OE2 3.06Å; R263-E325 PolarHBondContact NE-OE2 2.95Å; R263-E325 VanDerWaalsContact NH2-CD 3.26Å; R263-E325 IonicContact NH2-OE1 3.65Å; R263-E325 PolarHBondContact NH2-OE1 3.23Å; R263-E325 IonicContact NH2-OE2 3.96Å; R263-E325 PolarHBondContact NH2-OE2 2.9Å; R263-E325 PolarHBondContact O-N 3.1Å; R263-E325 VanDerWaalsContact O-N 3.16Å; N315-E325 WeakPolarHBondContact OD1-CA 3.49Å; E325-K327 WeakPolarHBondContact OE1-CE 3.5Å; E325-K327 IonicContact OE1-NZ 2.89Å; E325-K327 PolarHBondContact OE1-NZ 3.14Å
326	V	95.7	Very high	84.7	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.5	-169.7	-175.2	0	0	0	0	109.6	L260 I262 Q311 L314 N315 V324	L260-V326 HydrophobicContact CB-CG1 4.28Å; L260-V326 HydrophobicContact CD1-CG1 3.77Å; L260-V326 HydrophobicContact CD2-CG1 4.2Å; L260-V326 HydrophobicContact CG-CG1 4.3Å; I262-V326 HydrophobicContact CG1-CG1 4.09Å; I262-V326 HydrophobicContact CG1-CG2 4.13Å; I262-V326 HydrophobicContact CG2-CG2 4.21Å; Q311-V326 HydrophobicContact CB-CG1 4.21Å; Q311-V326 HydrophobicContact CG-CG1 4.35Å; Q311-V326 WeakPolarHBondContact CG-O 3.35Å; L314-V326 HydrophobicContact CB-CG2 4.09Å; L314-V326 HydrophobicContact CD2-CG2 4.13Å; L314-V326 HydrophobicContact CG-CG2 4.06Å; N315-V326 HydrophobicContact CB-CB 4.07Å; N315-V326 HydrophobicContact CB-CG2 4.49Å; N315-V326 PolarHBondContact OD1-N 3.34Å; N315-V326 PolarHBondContact OD1-O 3.29Å; V324-V326 HydrophobicContact CG2-CG2 4.49Å
327	K	94.4	Very high	82.8	Confident	106 Å²	106	58.5 Å²	58.5	46%	0.461	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	154.5	-179.2	-73.3	177.1	172.5	162	0	111	L260 Y261 E325 A329	L260-K327 CarbonylContact C-O 3.56Å; L260-K327 WeakPolarHBondContact CA-O 3.43Å; Y261-K327 PolarHBondContact N-O 3.39Å; Y261-K327 PolarHBondContact O-N 2.88Å; E325-K327 WeakPolarHBondContact OE1-CE 3.5Å; E325-K327 IonicContact OE1-NZ 2.89Å; E325-K327 PolarHBondContact OE1-NZ 3.14Å; K327-A329 PolarHBondContact O-N 2.83Å
328	L	94.5	Very high	80.7	Confident	33 Å²	33	63.1 Å²	63.1	17%	0.173	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	127.9	167.7	-74.1	166.7	0	0	0	110.3	M254 V257 K259 L260 K330	M254-L328 HydrophobicContact CE-CB 3.94Å; V257-L328 HydrophobicContact CB-CD2 4.33Å; V257-L328 HydrophobicContact CG1-CB 4.2Å; V257-L328 HydrophobicContact CG1-CD2 3.9Å; K259-L328 WeakPolarHBondContact O-CA 3.39Å; L260-L328 HydrophobicContact CD2-CD2 4.19Å; L328-K330 PolarHBondContact O-N 2.69Å
329	A	93.4	Very high	78.6	Confident	10 Å²	10	64.8 Å²	64.8	8%	0.083	33%	0.328	C	S	.	.			trans	-73.1	114.4	-177.5	0	0	0	0	0	110.7	V257 K259 F298 K327	V257-A329 WeakPolarHBondContact CG1-O 3.05Å; K259-A329 HydrophobicContact CB-CB 3.99Å; K259-A329 PolarHBondContact O-N 2.97Å; F298-A329 HydrophobicContact CD1-CB 3.93Å; F298-A329 HydrophobicContact CE1-CB 4.08Å; K327-A329 PolarHBondContact O-N 2.83Å
330	K	90.3	Very high	76.8	Confident	89 Å²	89	67.6 Å²	67.6	39%	0.387	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-53.8	126.4	174.5	-74.2	-175.1	169.3	-179.6	0	110.1	E246 R247 V249 M254 L328	E246-K330 WeakPolarHBondContact OE1-CE 3.36Å; E246-K330 IonicContact OE1-NZ 3.81Å; E246-K330 PolarHBondContact OE1-NZ 2.92Å; R247-K330 WeakPolarHBondContact O-CE 3.4Å; R247-K330 PolarHBondContact O-NZ 2.92Å; V249-K330 HydrophobicContact CG2-CB 4.34Å; V249-K330 HydrophobicContact CG2-CD 4.38Å; V249-K330 HydrophobicContact CG2-CG 4.32Å; M254-K330 HydrophobicContact CE-CG 4.46Å; M254-K330 HydrophobicContact SD-CG 4.28Å; L328-K330 PolarHBondContact O-N 2.69Å
331	P	85.8	Confident	75.1	Confident	48 Å²	48	71.4 Å²	71.4	31%	0.312	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-65.4	148.1	-175.7	23.4	-32.3	0	0	0	112	V249 T253 V257	V249-P331 HydrophobicContact CG1-CG 3.88Å; T253-P331 HydrophobicContact CG2-CG 3.76Å; V257-P331 HydrophobicContact CG2-CG 4.47Å
332	P	77.1	Confident	73.2	Confident	86 Å²	86	73.1 Å²	73.1	56%	0.558	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-70.1	133.8	178.2	29.1	-34.4	0	0	0	110.9	R334 M337	P332-R334 PolarHBondContact O-N 2.94Å; P332-M337 HydrophobicContact CB-CE 4.02Å; P332-M337 HydrophobicContact CB-CG 4.21Å; P332-M337 HydrophobicContact CB-SD 3.87Å; P332-M337 HydrophobicContact CG-CE 3.74Å; P332-M337 HydrophobicContact CG-SD 3.75Å; P332-M337 WeakPolarHBondContact O-CE 3.34Å
333	D	67.8	Low	71	Confident	55 Å²	55	75.4 Å²	75.4	29%	0.294	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-58.8	128.1	175.4	172.1	23.4	0	0	0	111.9	S335 I336 M337	D333-S335 PolarHBondContact O-N 2.89Å; D333-S335 WeakPolarHBondContact OD1-CB 3.26Å; D333-S335 PolarHBondContact OD1-N 2.84Å; D333-S335 WeakPolarHBondContact OD2-CB 3.43Å; D333-S335 PolarHBondContact OD2-OG 3.26Å; D333-I336 HydrophobicContact CB-CB 4.45Å; D333-I336 HydrophobicContact CB-CD1 4.27Å; D333-I336 HydrophobicContact CB-CG1 4.48Å; D333-I336 WeakPolarHBondContact OD2-CG1 3.48Å; D333-I336 PolarHBondContact OD2-N 2.86Å; D333-M337 WeakPolarHBondContact O-CB 3.34Å; D333-M337 WeakPolarHBondContact O-CG 3.28Å; D333-M337 PolarHBondContact O-N 2.9Å
334	R	63.2	Low	69	Low	201 Å²	201	76.5 Å²	76.5	76%	0.758	38%	0.375	S	S	*	.	H	α-helix	trans	-68.6	-19.2	177.6	-58.4	-175.1	-173.8	-169.9	4.9	112.8	P332 M337 R338	P332-R334 PolarHBondContact O-N 2.94Å; R334-M337 HydrophobicContact CG-CE 4.4Å; R334-R338 WeakPolarHBondContact O-CG 3.47Å; R334-R338 PolarHBondContact O-N 3.09Å; R334-R338 PolarHBondContact O-NE 2.81Å
335	S	52.7	Low	66.9	Low	31 Å²	31	84.2 Å²	84.2	22%	0.217	41%	0.408	C	S	.	.	H	α-helix	trans	-72.9	-58.7	172.3	99	0	0	0	0	110	D333 M337 R338 F339	D333-S335 PolarHBondContact O-N 2.89Å; D333-S335 WeakPolarHBondContact OD1-CB 3.26Å; D333-S335 PolarHBondContact OD1-N 2.84Å; D333-S335 WeakPolarHBondContact OD2-CB 3.43Å; D333-S335 PolarHBondContact OD2-OG 3.26Å; S335-M337 VanDerWaalsContact C-N 3.29Å; S335-M337 PolarHBondContact O-N 3.4Å; S335-R338 WeakPolarHBondContact O-CB 3.42Å; S335-R338 PolarHBondContact O-N 3.22Å; S335-F339 VanDerWaalsContact O-CD2 3.28Å; S335-F339 WeakPolarHBondContact O-CD2 3.27Å; S335-F339 PolarHBondContact O-N 3.24Å
336	I	56.6	Low	64.7	Low	83 Å²	83	88.4 Å²	88.4	43%	0.426	43%	0.431	S	S	.	.	H	α-helix	trans	-58.5	-40.3	178.8	-65.5	167.8	0	0	0	111.1	D333 R338 F339 V340	D333-I336 HydrophobicContact CB-CB 4.45Å; D333-I336 HydrophobicContact CB-CD1 4.27Å; D333-I336 HydrophobicContact CB-CG1 4.48Å; D333-I336 WeakPolarHBondContact OD2-CG1 3.48Å; D333-I336 PolarHBondContact OD2-N 2.86Å; I336-R338 VanDerWaalsContact C-N 3.28Å; I336-R338 PolarHBondContact O-N 2.81Å; I336-F339 PolarHBondContact O-N 2.79Å; I336-V340 HydrophobicContact CG2-CG2 4.15Å; I336-V340 WeakPolarHBondContact O-CG2 3.42Å; I336-V340 PolarHBondContact O-N 2.85Å
337	M	51.2	Low	62	Low	76 Å²	76	90.4 Å²	90.4	37%	0.374	45%	0.452	S	S	.	.	H	α-helix	trans	-62.6	-29.9	175.4	-78.5	-163.9	-65.6	0	0	114.1	P332 D333 R334 S335 K341	P332-M337 HydrophobicContact CB-CE 4.02Å; P332-M337 HydrophobicContact CB-CG 4.21Å; P332-M337 HydrophobicContact CB-SD 3.87Å; P332-M337 HydrophobicContact CG-CE 3.74Å; P332-M337 HydrophobicContact CG-SD 3.75Å; P332-M337 WeakPolarHBondContact O-CE 3.34Å; D333-M337 WeakPolarHBondContact O-CB 3.34Å; D333-M337 WeakPolarHBondContact O-CG 3.28Å; D333-M337 PolarHBondContact O-N 2.9Å; R334-M337 HydrophobicContact CG-CE 4.4Å; S335-M337 VanDerWaalsContact C-N 3.29Å; S335-M337 PolarHBondContact O-N 3.4Å; M337-K341 WeakPolarHBondContact O-CB 3.3Å; M337-K341 VanDerWaalsContact O-CG 3.27Å; M337-K341 WeakPolarHBondContact O-CG 3.47Å; M337-K341 PolarHBondContact O-N 2.89Å; M337-K341 VanDerWaalsContact O-N 3.07Å
338	R	49.4	Very low	59.4	Low	145 Å²	145	91.4 Å²	91.4	55%	0.547	46%	0.463	S	S	.	.	H	α-helix	trans	-71	-46.8	173	-82.3	179.7	-76.1	162.1	-7.2	110.9	R334 S335 I336 V340 K341 N342	R334-R338 WeakPolarHBondContact O-CG 3.47Å; R334-R338 PolarHBondContact O-N 3.09Å; R334-R338 PolarHBondContact O-NE 2.81Å; S335-R338 WeakPolarHBondContact O-CB 3.42Å; S335-R338 PolarHBondContact O-N 3.22Å; I336-R338 VanDerWaalsContact C-N 3.28Å; I336-R338 PolarHBondContact O-N 2.81Å; R338-V340 PolarHBondContact O-N 3.41Å; R338-K341 PolarHBondContact O-N 3.3Å; R338-N342 WeakPolarHBondContact O-CB 3.4Å; R338-N342 VanDerWaalsContact O-CG 3.25Å; R338-N342 PolarHBondContact O-N 2.79Å; R338-N342 PolarHBondContact O-OD1 3.18Å
339	F	47	Very low	56.5	Low	150 Å²	150	93.4 Å²	93.4	66%	0.658	48%	0.484	S	S	*	.	H	α-helix	trans	-58.9	-46.2	175.8	-70.7	-70.1	0	0	0	112.3	S335 I336 K341 N342 A343	S335-F339 VanDerWaalsContact O-CD2 3.28Å; S335-F339 WeakPolarHBondContact O-CD2 3.27Å; S335-F339 PolarHBondContact O-N 3.24Å; I336-F339 PolarHBondContact O-N 2.79Å; F339-K341 PolarHBondContact O-N 3.3Å; F339-N342 PolarHBondContact O-N 3.17Å; F339-A343 WeakPolarHBondContact O-CB 3.32Å; F339-A343 PolarHBondContact O-N 2.92Å
340	V	52.5	Low	53.6	Low	69 Å²	69	102.2 Å²	102.2	42%	0.418	52%	0.52	S	S	.	.	H	α-helix	trans	-63.8	-41.9	177.8	173.5	0	0	0	0	111.9	I336 R338 Q344	I336-V340 HydrophobicContact CG2-CG2 4.15Å; I336-V340 WeakPolarHBondContact O-CG2 3.42Å; I336-V340 PolarHBondContact O-N 2.85Å; R338-V340 PolarHBondContact O-N 3.41Å; V340-Q344 HydrophobicContact CG1-CG 4.49Å; V340-Q344 WeakPolarHBondContact O-CB 3.13Å; V340-Q344 WeakPolarHBondContact O-CG 3.47Å; V340-Q344 PolarHBondContact O-N 3.48Å
341	K	51.4	Low	50.9	Low	136 Å²	136	104.7 Å²	104.7	59%	0.591	54%	0.543	S	S	*	.	H	α-helix	trans	-64.3	-39.8	174.9	-79.2	179.2	176.5	-175.9	0	112.3	M337 R338 F339 Q344 K345	M337-K341 WeakPolarHBondContact O-CB 3.3Å; M337-K341 VanDerWaalsContact O-CG 3.27Å; M337-K341 WeakPolarHBondContact O-CG 3.47Å; M337-K341 PolarHBondContact O-N 2.89Å; M337-K341 VanDerWaalsContact O-N 3.07Å; R338-K341 PolarHBondContact O-N 3.3Å; F339-K341 PolarHBondContact O-N 3.3Å; K341-Q344 PolarHBondContact O-N 3.32Å; K341-K345 PolarHBondContact O-N 2.91Å
342	N	47.4	Very low	48.1	Very low	92 Å²	92	109.9 Å²	109.9	49%	0.492	57%	0.567	S	S	.	*	H	α-helix	trans	-68.8	-45	178.7	-70.8	-1.1	0	0	0	111.3	R338 F339 Q344 K345 L346	R338-N342 WeakPolarHBondContact O-CB 3.4Å; R338-N342 VanDerWaalsContact O-CG 3.25Å; R338-N342 PolarHBondContact O-N 2.79Å; R338-N342 PolarHBondContact O-OD1 3.18Å; F339-N342 PolarHBondContact O-N 3.17Å; N342-Q344 VanDerWaalsContact C-N 3.3Å; N342-Q344 PolarHBondContact O-N 3.1Å; N342-K345 PolarHBondContact O-N 3.45Å; N342-K345 VanDerWaalsContact O-N 3.13Å; N342-L346 WeakPolarHBondContact O-CD1 3.22Å; N342-L346 PolarHBondContact O-N 2.95Å
343	A	43.1	Very low	45.8	Very low	55 Å²	55	110.7 Å²	110.7	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-61.1	-36.6	173.5	0	0	0	0	0	112.4	F339 G347	F339-A343 WeakPolarHBondContact O-CB 3.32Å; F339-A343 PolarHBondContact O-N 2.92Å; A343-G347 PolarHBondContact O-N 2.85Å
344	Q	48.8	Very low	43.8	Very low	99 Å²	99	117.2 Å²	117.2	46%	0.463	60%	0.598	S	S	.	*	H	α-helix	trans	-68.3	-34.7	173.6	-75.4	173.7	0.8	0	0	113.1	V340 K341 N342	V340-Q344 HydrophobicContact CG1-CG 4.49Å; V340-Q344 WeakPolarHBondContact O-CB 3.13Å; V340-Q344 WeakPolarHBondContact O-CG 3.47Å; V340-Q344 PolarHBondContact O-N 3.48Å; K341-Q344 PolarHBondContact O-N 3.32Å; N342-Q344 VanDerWaalsContact C-N 3.3Å; N342-Q344 PolarHBondContact O-N 3.1Å
345	K	50.4	Low	42.3	Very low	162 Å²	162	113.4 Å²	113.4	70%	0.704	60%	0.6	S	S	*	*	H	α-helix	trans	-67.3	-50.3	171.7	-80.6	-171.1	171.7	-170.5	0	112	K341 N342 G347 N348	K341-K345 PolarHBondContact O-N 2.91Å; N342-K345 PolarHBondContact O-N 3.45Å; N342-K345 VanDerWaalsContact O-N 3.13Å; K345-G347 VanDerWaalsContact C-N 3.27Å; K345-G347 PolarHBondContact O-N 3.07Å; K345-N348 PolarHBondContact O-N 3.01Å; K345-N348 VanDerWaalsContact O-N 3.1Å
346	L	47.1	Very low	41.2	Very low	129 Å²	129	119 Å²	119	68%	0.675	63%	0.626	S	S	*	*	H	α-helix	trans	-59	-40.1	176.7	-92	73.3	0	0	0	111.3	N342 N348 A349	N342-L346 WeakPolarHBondContact O-CD1 3.22Å; N342-L346 PolarHBondContact O-N 2.95Å; L346-N348 PolarHBondContact O-N 3.36Å; L346-A349 WeakPolarHBondContact O-CB 3.49Å; L346-A349 PolarHBondContact O-N 2.87Å
347	G	37.3	Very low	39.7	Very low	43 Å²	43	124.1 Å²	124.1	44%	0.443	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	2.6	176.7	0	0	0	0	0	116.2	A343 K345 R450	A343-G347 PolarHBondContact O-N 2.85Å; K345-G347 VanDerWaalsContact C-N 3.27Å; K345-G347 PolarHBondContact O-N 3.07Å; G347-R450 PolarHBondContact O-NH2 3.45Å
348	N	41.2	Very low	38.5	Very low	128 Å²	128	131.1 Å²	131.1	68%	0.684	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	-11.1	168.6	-77.2	10.1	0	0	0	113.1	K345 L346 K350	K345-N348 PolarHBondContact O-N 3.01Å; K345-N348 VanDerWaalsContact O-N 3.1Å; L346-N348 PolarHBondContact O-N 3.36Å; N348-K350 PolarHBondContact O-N 3.35Å
349	A	33.4	Very low	37.5	Very low	75 Å²	75	129.9 Å²	129.9	62%	0.62	67%	0.669	S	S	*	*			trans	-77.5	112.8	173.8	0	0	0	0	0	109.7	L346	L346-A349 WeakPolarHBondContact O-CB 3.49Å; L346-A349 PolarHBondContact O-N 2.87Å
350	K	32.8	Very low	36.7	Very low	195 Å²	195	127.8 Å²	127.8	85%	0.848	67%	0.673	S	S	*	*			trans	-96.6	139.8	168	-65.2	179.4	-178.4	177	0	108.4	N348	N348-K350 PolarHBondContact O-N 3.35Å
351	T	33.2	Very low	35.5	Very low	140 Å²	140	132.1 Å²	132.1	86%	0.859	69%	0.693	S	S	*	*	S	Bend	trans	95.9	145.3	-172.5	-39.5	0	0	0	0	113.5
352	L	27.6	Very low	34.5	Very low	158 Å²	158	129.5 Å²	129.5	83%	0.827	70%	0.697	S	S	*	*			trans	-98.5	179	-161.1	-70.2	175.2	0	0	0	111
353	P	27.8	Very low	33.8	Very low	103 Å²	103	130.5 Å²	130.5	67%	0.669	71%	0.709	S	S	*	*			cis	-143.2	172.9	18.3	44.7	-25.8	0	0	0	119.5
354	F	26.4	Very low	32.9	Very low	191 Å²	191	133.5 Å²	133.5	84%	0.838	73%	0.733	S	S	*	*			trans	61.2	145.6	170.4	-69.7	-75.3	0	0	0	118.8
355	P	31.9	Very low	31.9	Very low	122 Å²	122	132.8 Å²	132.8	79%	0.792	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-74	130.5	170.9	-7	24.7	0	0	0	109.9	Y357	P355-Y357 PolarHBondContact O-N 3.49Å
356	L	28	Very low	31	Very low	147 Å²	147	133.2 Å²	133.2	77%	0.77	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-71.6	126.2	170.6	-70.4	172.7	0	0	0	109.9
357	Y	25.6	Very low	30.2	Very low	191 Å²	191	135.5 Å²	135.5	75%	0.749	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-69.5	131.8	169	-176.8	-108.8	0	0	0	109.3	P355 D359	P355-Y357 PolarHBondContact O-N 3.49Å; Y357-D359 HydrophobicContact CD1-CB 4.3Å; Y357-D359 WeakPolarHBondContact CD1-OD2 3.22Å; Y357-D359 HydrophobicContact CE1-CB 4.34Å; Y357-D359 VanDerWaalsContact CE1-CG 3.5Å; Y357-D359 WeakPolarHBondContact CE1-OD2 3.43Å; Y357-D359 PolarHBondContact O-N 2.83Å
358	W	27.2	Very low	29.7	Very low	224 Å²	224	144.7 Å²	144.7	85%	0.848	78%	0.784	S	S	*	*			trans	-93	79.6	176.6	-3.9	84.2	0	0	0	110
359	D	26.9	Very low	29.2	Very low	119 Å²	119	143 Å²	143	64%	0.636	78%	0.781	S	S	*	*			trans	-59.6	134.6	162.5	-104.9	-46.8	0	0	0	109.7	Y357	Y357-D359 HydrophobicContact CD1-CB 4.3Å; Y357-D359 WeakPolarHBondContact CD1-OD2 3.22Å; Y357-D359 HydrophobicContact CE1-CB 4.34Å; Y357-D359 VanDerWaalsContact CE1-CG 3.5Å; Y357-D359 WeakPolarHBondContact CE1-OD2 3.43Å; Y357-D359 PolarHBondContact O-N 2.83Å
360	S	30.6	Very low	29.1	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	79%	0.792	S	S	*	*	S	Bend	trans	-97.9	-7.7	-175.4	-65.7	0	0	0	0	113.9
361	D	28.6	Very low	29.1	Very low	160 Å²	160	139.6 Å²	139.6	86%	0.856	79%	0.79	S	S	*	*			trans	-103.9	70.3	-177	-71.6	-47.3	0	0	0	112.4
362	A	29.7	Very low	28.9	Very low	80 Å²	80	140.1 Å²	140.1	66%	0.661	79%	0.787	S	S	*	*			trans	-138.4	122.9	168.6	0	0	0	0	0	111.2	A364	A362-A364 PolarHBondContact O-N 2.72Å
363	P	31.5	Very low	29	Very low	114 Å²	114	138.1 Å²	138.1	74%	0.74	79%	0.786	S	S	*	*			trans	-69.6	132.7	-176.2	27.3	-34.1	0	0	0	112	A365	P363-A365 VanDerWaalsContact C-N 3.31Å; P363-A365 PolarHBondContact O-N 3.05Å
364	A	24.3	Very low	29.3	Very low	117 Å²	117	139.1 Å²	139.1	97%	0.967	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	75	-174.9	0	0	0	0	0	113.2	A362	A362-A364 PolarHBondContact O-N 2.72Å
365	A	29.6	Very low	29.6	Very low	85 Å²	85	135.7 Å²	135.7	70%	0.702	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.3	-23.6	-179.4	0	0	0	0	0	116	P363	P363-A365 VanDerWaalsContact C-N 3.31Å; P363-A365 PolarHBondContact O-N 3.05Å
366	Q	30.7	Very low	29.6	Very low	171 Å²	171	133.4 Å²	133.4	80%	0.799	79%	0.788	S	S	*	*	S	Bend	trans	-105.5	-2.2	-160.8	-64.6	-169.5	-0.4	0	0	117.3	Y368	Q366-Y368 PolarHBondContact O-N 2.62Å
367	L	29.7	Very low	29.8	Very low	177 Å²	177	138.4 Å²	138.4	93%	0.927	80%	0.797	S	S	*	*			trans	-91.9	18	-175.8	-71.9	173.4	0	0	0	115.5
368	Y	26.6	Very low	30.1	Very low	236 Å²	236	137.2 Å²	137.2	93%	0.925	80%	0.798	S	S	*	*	S	Bend	trans	-110.9	69.5	174.6	-104.4	-82.5	0	0	0	111.7	Q366	Q366-Y368 PolarHBondContact O-N 2.62Å
369	S	31.3	Very low	30.7	Very low	91 Å²	91	132.6 Å²	132.6	64%	0.636	80%	0.797	S	S	*	*	S	Bend	trans	-169.5	-42.7	169.6	53.3	0	0	0	0	114.6	A371	S369-A371 VanDerWaalsContact C-N 3.25Å; S369-A371 PolarHBondContact O-N 3.17Å
370	A	32.2	Very low	31.1	Very low	101 Å²	101	129.7 Å²	129.7	84%	0.835	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	32.5	-159.9	0	0	0	0	0	117.4
371	A	31.3	Very low	31.4	Very low	99 Å²	99	130.2 Å²	130.2	82%	0.818	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	13.2	178.5	0	0	0	0	0	114	S369	S369-A371 VanDerWaalsContact C-N 3.25Å; S369-A371 PolarHBondContact O-N 3.17Å
372	L	28.8	Very low	31.7	Very low	151 Å²	151	127.8 Å²	127.8	79%	0.791	80%	0.801	S	S	*	*	S	Bend	trans	-120.7	148.1	171.7	-67.8	172.1	0	0	0	109.7
373	S	30.9	Very low	31.9	Very low	115 Å²	115	127.4 Å²	127.4	80%	0.804	81%	0.805	S	S	*	*			trans	82.4	154.8	-177.1	81.2	0	0	0	0	117.7
374	V	34.8	Very low	32	Very low	125 Å²	125	126.6 Å²	126.6	76%	0.758	81%	0.808	S	S	*	*			trans	57.9	84.8	177.7	-162.4	0	0	0	0	114.9
375	S	31.6	Very low	32.4	Very low	119 Å²	119	128.6 Å²	128.6	83%	0.832	80%	0.801	S	S	*	*			cis	76.7	134.6	42.2	96.4	0	0	0	0	115.8
376	G	31.8	Very low	32.6	Very low	73 Å²	73	129.7 Å²	129.7	75%	0.753	80%	0.799	S	S	*	*			trans	120.5	60	154.3	0	0	0	0	0	121.6
377	R	32.7	Very low	32.4	Very low	253 Å²	253	130 Å²	130	96%	0.955	80%	0.801	S	S	*	*				-171	112.6	129.7	-113.2	173	168.7	148.3	-2.1	115.6
378	E	30.4	Very low	32.6	Very low	166 Å²	166	126.1 Å²	126.1	78%	0.776	80%	0.795	S	S	*	*			trans	-88.8	-179	161	-91.9	-74.9	115.9	0	0	109.8
379	P	41.7	Very low	32.7	Very low	126 Å²	126	120.7 Å²	120.7	82%	0.818	79%	0.786	S	S	*	*			cis	-131	165.6	9.8	39.5	-21.9	0	0	0	118.2
380	G	34.3	Very low	32.9	Very low	59 Å²	59	121.6 Å²	121.6	61%	0.608	79%	0.793	S	S	*	*			trans	-145	-3.5	-175.5	0	0	0	0	0	120.9
381	S	36	Very low	33	Very low	117 Å²	117	125.8 Å²	125.8	82%	0.818	80%	0.795	S	S	*	*			trans	69.1	131	172.1	74.7	0	0	0	0	121.2
382	A	35.9	Very low	33	Very low	108 Å²	108	126.7 Å²	126.7	89%	0.893	79%	0.792	S	S	*	*			trans	56.6	125.5	152.1	0	0	0	0	0	121.7
383	G	33.8	Very low	33.2	Very low	73 Å²	73	125.8 Å²	125.8	75%	0.753	80%	0.799	S	S	*	*			cis	163.8	159.2	-11.8	0	0	0	0	0	115.8
384	A	34.3	Very low	33.2	Very low	97 Å²	97	124.5 Å²	124.5	80%	0.802	80%	0.795	S	S	*	*			trans	63.9	158.9	162.2	0	0	0	0	0	119.6
385	L	32.6	Very low	32.9	Very low	158 Å²	158	126.6 Å²	126.6	83%	0.827	80%	0.801	S	S	*	*			cis	-175.2	155.7	-27.6	-85.8	179.6	0	0	0	103.4
386	T	32.6	Very low	33	Very low	108 Å²	108	129.8 Å²	129.8	66%	0.663	80%	0.803	S	S	*	*			cis	-161.3	135.1	-12.9	21.6	0	0	0	0	104.4
387	E	27.6	Very low	32.6	Very low	177 Å²	177	132 Å²	132	83%	0.827	81%	0.807	S	S	*	*				63.9	103.6	71.4	-164.2	170.3	-120.8	0	0	115.9
388	A	34.3	Very low	32.4	Very low	97 Å²	97	126 Å²	126	80%	0.802	80%	0.801	S	S	*	*			trans	-162.9	128.6	154.4	0	0	0	0	0	106.8
389	T	28.5	Very low	32.4	Very low	121 Å²	121	127.3 Å²	127.3	74%	0.742	81%	0.807	S	S	*	*			cis	101.7	112.5	20.2	-59.3	0	0	0	0	113.3
390	S	35.4	Very low	31.7	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	80%	0.804	S	S	*	*			trans	126.4	145.9	170.4	62.8	0	0	0	0	112.6
391	Q	32.7	Very low	31.4	Very low	188 Å²	188	131.7 Å²	131.7	88%	0.879	81%	0.808	S	S	*	*			cis	-156.7	156.6	-34.1	-124	-177.1	-23	0	0	108
392	P	32.5	Very low	31	Very low	118 Å²	118	136.8 Å²	136.8	77%	0.766	81%	0.809	S	S	*	*			trans	-102	162	-171.7	38.3	-33.3	0	0	0	115.3
393	S	32.7	Very low	30.7	Very low	132 Å²	132	136.8 Å²	136.8	92%	0.923	80%	0.799	S	S	*	*			trans	-128.1	157.7	164.7	-74.1	0	0	0	0	110.3
394	A	29.9	Very low	30.3	Very low	88 Å²	88	139.6 Å²	139.6	73%	0.727	80%	0.801	S	S	*	*			trans	-120.7	179.3	-158	0	0	0	0	0	115.7
395	L	30.2	Very low	30.1	Very low	169 Å²	169	141.9 Å²	141.9	89%	0.885	81%	0.806	S	S	*	*			trans	74	128.1	175.2	-57.1	134.3	0	0	0	113.5
396	Q	32	Very low	29.8	Very low	186 Å²	186	138.7 Å²	138.7	87%	0.869	80%	0.802	S	S	*	*			cis	-139.7	172.7	24	-68.9	172	-40.1	0	0	113.4
397	S	24.1	Very low	29.5	Very low	119 Å²	119	137.8 Å²	137.8	83%	0.832	80%	0.8	S	S	*	*			trans	-75.5	157.9	-178.6	-42	0	0	0	0	114.7
398	P	29.1	Very low	29.5	Very low	129 Å²	129	133.2 Å²	133.2	84%	0.838	79%	0.792	S	S	*	*				-129.5	-178.7	129.8	38.3	-30.3	0	0	0	113.4
399	E	29.6	Very low	29.1	Very low	192 Å²	192	135.9 Å²	135.9	90%	0.897	78%	0.783	S	S	*	*			trans	-76.4	169.6	-165.8	-73.5	165.3	93.6	0	0	116.8	D401	E399-D401 PolarHBondContact O-N 3.27Å
400	I	28.5	Very low	29	Very low	146 Å²	146	134.6 Å²	134.6	75%	0.749	77%	0.769	S	S	*	*			trans	-83.6	106	-178.8	-55.3	172.7	0	0	0	110.1	R402	I400-R402 HydrophobicContact CG2-CG 4.19Å; I400-R402 PolarHBondContact O-N 3.07Å
401	D	27.5	Very low	28.6	Very low	131 Å²	131	132.9 Å²	132.9	70%	0.701	77%	0.769	S	S	*	*			trans	-66	122.5	171.5	-171	-11.7	0	0	0	111	E399 T403	E399-D401 PolarHBondContact O-N 3.27Å; D401-T403 PolarHBondContact OD1-N 3.34Å; D401-T403 PolarHBondContact OD1-OG1 3.47Å
402	R	27.7	Very low	28.4	Very low	224 Å²	224	129.8 Å²	129.8	85%	0.845	75%	0.753	S	S	*	*			trans	-120.9	54.1	-179.3	-79.2	-172.7	168.7	172.4	-2.3	112.1	I400	I400-R402 HydrophobicContact CG2-CG 4.19Å; I400-R402 PolarHBondContact O-N 3.07Å
403	T	29.2	Very low	28.3	Very low	109 Å²	109	127.1 Å²	127.1	67%	0.669	74%	0.736	S	S	*	*			trans	-123.5	89.2	174	56.3	0	0	0	0	113.5	D401	D401-T403 PolarHBondContact OD1-N 3.34Å; D401-T403 PolarHBondContact OD1-OG1 3.47Å
404	T	26.1	Very low	28.4	Very low	132 Å²	132	122.8 Å²	122.8	81%	0.81	71%	0.705	S	S	*	*			trans	-149.3	70.1	166	-57.9	0	0	0	0	111
405	T	28.5	Very low	28.3	Very low	145 Å²	145	121.3 Å²	121.3	89%	0.89	69%	0.685	S	S	*	*			trans	-97.7	122.6	167	-37.1	0	0	0	0	108.4	S407	T405-S407 PolarHBondContact O-N 3.34Å
406	A	26.3	Very low	28.4	Very low	90 Å²	90	115.5 Å²	115.5	74%	0.744	65%	0.654	S	S	*	*			trans	-79.5	107.1	-172.9	0	0	0	0	0	111.8	A408	A406-A408 PolarHBondContact O-N 3.3Å
407	S	26.9	Very low	28.4	Very low	90 Å²	90	107.5 Å²	107.5	63%	0.629	62%	0.619	S	S	*	*			trans	-72.9	110.2	167.4	-171.6	0	0	0	0	109.9	T405	T405-S407 PolarHBondContact O-N 3.34Å
408	A	27.2	Very low	28.8	Very low	81 Å²	81	107.2 Å²	107.2	67%	0.669	60%	0.603	S	S	*	*			trans	-87	119.4	174.8	0	0	0	0	0	109.8	A406 M410	A406-A408 PolarHBondContact O-N 3.3Å; A408-M410 PolarHBondContact O-N 3.43Å
409	Y	25.9	Very low	29	Very low	153 Å²	153	105.5 Å²	105.5	60%	0.6	60%	0.599	S	S	*	*			trans	-78.1	83.6	-175.8	-148.1	-96.6	0	0	0	110.6	R247	R247-Y409 HydrophobicContact CG-CE1 4.09Å
410	M	26.5	Very low	29	Very low	93 Å²	93	103.2 Å²	103.2	46%	0.458	59%	0.592	S	S	.	*			trans	-99.4	107.7	175.1	-70.2	-72.4	-80.6	0	0	109.4	A408 F412	A408-M410 PolarHBondContact O-N 3.43Å; M410-F412 HydrophobicContact CB-CD2 4.43Å; M410-F412 HydrophobicContact CB-CE2 3.9Å; M410-F412 WeakPolarHBondContact O-CD2 3.31Å; M410-F412 PolarHBondContact O-N 2.76Å
411	G	27.8	Very low	29	Very low	75 Å²	75	98.9 Å²	98.9	77%	0.773	58%	0.583	S	S	*	*			trans	-76.4	101.9	173.7	0	0	0	0	0	110.6
412	F	29.3	Very low	29.3	Very low	123 Å²	123	98.4 Å²	98.4	54%	0.539	59%	0.587	S	S	.	*			trans	-80.9	127.4	164.3	-66.8	-90.2	0	0	0	108.4	M410	M410-F412 HydrophobicContact CB-CD2 4.43Å; M410-F412 HydrophobicContact CB-CE2 3.9Å; M410-F412 WeakPolarHBondContact O-CD2 3.31Å; M410-F412 PolarHBondContact O-N 2.76Å
413	P	30.4	Very low	29.4	Very low	63 Å²	63	94.3 Å²	94.3	41%	0.409	59%	0.587	S	S	.	*			trans	-73.2	-163.8	156.8	15.4	1.8	0	0	0	108.9	E555	P413-E555 VanDerWaalsContact C-OE1 3.29Å; P413-E555 VanDerWaalsContact C-OE2 3.26Å; P413-E555 WeakPolarHBondContact CB-OE1 3.28Å; P413-E555 HydrophobicContact CG-CG 3.8Å; P413-E555 VanDerWaalsContact CG-OE1 3.26Å; P413-E555 WeakPolarHBondContact CG-OE1 3.14Å
414	C	33.2	Very low	29.4	Very low	41 Å²	41	98.8 Å²	98.8	28%	0.277	60%	0.598	S	S	.	*			trans	-144.5	110.8	-169	46.9	0	0	0	0	113.1	D416 E555	C414-D416 PolarHBondContact O-N 3.02Å; C414-E555 PolarHBondContact N-OE1 3.32Å; C414-E555 PolarHBondContact N-OE2 2.91Å
415	I	29.3	Very low	29.6	Very low	57 Å²	57	97.8 Å²	97.8	29%	0.292	60%	0.596	S	S	.	*			trans	-57.5	116.7	175.1	-50.2	-177.8	0	0	0	111.6	R123 E555	R123-I415 PolarHBondContact NH1-O 2.72Å; R123-I415 VanDerWaalsContact NH1-O 3.17Å; I415-E555 HydrophobicContact CG1-CB 4.46Å; I415-E555 WeakPolarHBondContact CG1-OE2 3.5Å; I415-E555 PolarHBondContact N-OE2 3.24Å
416	D	31.5	Very low	29.8	Very low	47 Å²	47	96.6 Å²	96.6	25%	0.251	59%	0.593	S	S	.	*			trans	-83.3	125.2	-177.7	-149.1	-51.3	0	0	0	111.3	R224 C414 F418	R224-D416 VanDerWaalsContact CZ-CG 3.45Å; R224-D416 IonicContact CZ-OD1 3.79Å; R224-D416 VanDerWaalsContact CZ-OD1 3.3Å; R224-D416 IonicContact CZ-OD2 2.73Å; R224-D416 VanDerWaalsContact NE-CG 3.35Å; R224-D416 IonicContact NE-OD1 2.72Å; R224-D416 IonicContact NE-OD2 3.65Å; R224-D416 PolarHBondContact NE-OD2 2.89Å; R224-D416 IonicContact NH1-OD1 2.69Å; R224-D416 IonicContact NH2-OD1 2.83Å; R224-D416 PolarHBondContact NH2-OD1 2.94Å; R224-D416 IonicContact NH2-OD2 2.71Å; R224-D416 PolarHBondContact NH2-OD2 3.05Å; C414-D416 PolarHBondContact O-N 3.02Å; D416-F418 PolarHBondContact O-N 2.66Å
417	P	31.3	Very low	29.9	Very low	18 Å²	18	99.2 Å²	99.2	12%	0.117	60%	0.595	C	S	.	*	T	Hydrogen-bonded Turn	trans	-65.4	11.9	-172.5	-24.8	35.4	0	0	0	118.3	F118	F118-P417 WeakPolarHBondContact CZ-O 3.31Å
418	F	34.3	Very low	30.4	Very low	113 Å²	113	99.9 Å²	99.9	50%	0.496	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.7	5	-171.5	-71.4	-80.2	0	0	0	115.3	N63 D416 I420	N63-F418 HydrophobicContact CB-CE2 3.74Å; N63-F418 HydrophobicContact CB-CZ 3.54Å; D416-F418 PolarHBondContact O-N 2.66Å; F418-I420 PolarHBondContact O-N 3.38Å
419	A	31.5	Very low	30.5	Very low	93 Å²	93	101 Å²	101	77%	0.769	60%	0.6	S	S	*	*			trans	-81	48	-175.1	0	0	0	0	0	114.1
420	I	29.4	Very low	30.9	Very low	144 Å²	144	99.4 Å²	99.4	74%	0.738	61%	0.606	S	S	*	*			trans	-132.8	105.3	171.2	-52.9	179.8	0	0	0	109.7	F118 F418	F118-I420 HydrophobicContact CE2-CD1 4.08Å; F118-I420 HydrophobicContact CZ-CD1 4.26Å; F418-I420 PolarHBondContact O-N 3.38Å
421	G	29.6	Very low	31.2	Very low	55 Å²	55	100.5 Å²	100.5	57%	0.567	62%	0.623	S	S	*	*			trans	-160	134.7	171.3	0	0	0	0	0	109.6	T423	G421-T423 PolarHBondContact O-N 2.83Å
422	P	32.8	Very low	31.3	Very low	120 Å²	120	108 Å²	108	78%	0.779	63%	0.627	S	S	*	*			trans	-74.4	120.4	-170.4	28.6	-34.4	0	0	0	111.9
423	T	30.4	Very low	31.6	Very low	138 Å²	138	108 Å²	108	85%	0.847	64%	0.64	S	S	*	*			trans	-88.2	104.7	173.2	40.6	0	0	0	0	110.8	G421	G421-T423 PolarHBondContact O-N 2.83Å
424	F	30	Very low	31.6	Very low	204 Å²	204	108.6 Å²	108.6	90%	0.895	66%	0.658	S	S	*	*			trans	-64.4	133.5	167.8	-89.3	-97.7	0	0	0	110.3
425	S	29.3	Very low	31.5	Very low	110 Å²	110	110.8 Å²	110.8	77%	0.769	69%	0.687	S	S	*	*			trans	-106.2	125.7	177.1	-169.5	0	0	0	0	110.9
426	S	32.3	Very low	31.4	Very low	120 Å²	120	112.1 Å²	112.1	84%	0.839	72%	0.715	S	S	*	*			trans	-124.8	106.6	167.7	45.9	0	0	0	0	110.4
427	N	28.7	Very low	31.5	Very low	145 Å²	145	113.7 Å²	113.7	78%	0.775	74%	0.743	S	S	*	*			trans	-78.2	163.7	162.2	-99.3	-44	0	0	0	108.9
428	P	37.6	Very low	31.5	Very low	105 Å²	105	120.3 Å²	120.3	68%	0.682	78%	0.783	S	S	*	*			cis	-155.8	158.3	46.7	41.2	-19.7	0	0	0	120.5
429	S	29	Very low	31.4	Very low	104 Å²	104	118.6 Å²	118.6	73%	0.727	80%	0.797	S	S	*	*			trans	65.3	165.8	145	68.4	0	0	0	0	117.9
430	V	33.8	Very low	31.2	Very low	119 Å²	119	125.7 Å²	125.7	72%	0.721	80%	0.804	S	S	*	*			cis	-148.2	142.5	27.4	172.8	0	0	0	0	112.9
431	S	33	Very low	31.2	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	81%	0.814	S	S	*	*			trans	71.8	151	155.5	74.2	0	0	0	0	122.9
432	R	29.9	Very low	31.3	Very low	232 Å²	232	132.5 Å²	132.5	88%	0.875	82%	0.824	S	S	*	*			trans	-153.8	136.1	168.3	-161.4	-175.8	-175	-164	3.2	107.6
433	P	36.9	Very low	31.1	Very low	123 Å²	123	130 Å²	130	80%	0.799	82%	0.82	S	S	*	*				-134.7	-179.4	109.7	15	7	0	0	0	111.6
434	G	29.5	Very low	31	Very low	76 Å²	76	135.9 Å²	135.9	78%	0.784	83%	0.826	S	S	*	*			cis	129.8	108.4	-7	0	0	0	0	0	113.5
435	G	31.9	Very low	30.9	Very low	87 Å²	87	129.5 Å²	129.5	90%	0.897	82%	0.818	S	S	*	*			trans	-173	147.8	176	0	0	0	0	0	110.9
436	G	27.7	Very low	30.7	Very low	86 Å²	86	129.8 Å²	129.8	89%	0.887	83%	0.827	S	S	*	*			trans	-133.2	158.6	-172.8	0	0	0	0	0	113.7
437	G	31.7	Very low	30.6	Very low	80 Å²	80	128.9 Å²	128.9	83%	0.825	83%	0.827	S	S	*	*			trans	-157.1	129	175.8	0	0	0	0	0	110.7
438	T	31.3	Very low	30.6	Very low	156 Å²	156	125.5 Å²	125.5	96%	0.957	83%	0.826	S	S	*	*			trans	-107.1	135.9	-177	55	0	0	0	0	111
439	G	32.3	Very low	30.2	Very low	78 Å²	78	128.4 Å²	128.4	80%	0.804	83%	0.833	S	S	*	*			trans	-148.2	118.9	175.3	0	0	0	0	0	111.1
440	R	28.2	Very low	30.2	Very low	242 Å²	242	130.4 Å²	130.4	91%	0.913	82%	0.824	S	S	*	*			trans	-86	139.8	171.2	-71.8	179.8	174.4	176.6	-1.5	109.7
441	F	29.2	Very low	30.1	Very low	215 Å²	215	128.4 Å²	128.4	94%	0.943	82%	0.821	S	S	*	*			trans	-140.4	151.6	151.7	-131.4	-91.2	0	0	0	110.8
442	V	32.8	Very low	29.9	Very low	127 Å²	127	126.8 Å²	126.8	77%	0.77	81%	0.814	S	S	*	*			trans	-117.1	122.7	-159.6	-179.2	0	0	0	0	112.8
443	G	27.4	Very low	30.1	Very low	67 Å²	67	118.2 Å²	118.2	69%	0.691	79%	0.789	S	S	*	*			trans	45.6	113.9	142.9	0	0	0	0	0	121.6
444	R	28.5	Very low	29.7	Very low	261 Å²	261	118 Å²	118	99%	0.985	78%	0.777	S	S	*	*			trans	-159.9	153.2	139.3	-108.4	172.5	-173.9	-152	0.8	110.3
445	G	27.2	Very low	29.8	Very low	71 Å²	71	119.9 Å²	119.9	73%	0.732	77%	0.765	S	S	*	*			trans	94.7	35.2	162.2	0	0	0	0	0	119.3	A447	G445-A447 VanDerWaalsContact C-N 3.29Å; G445-A447 PolarHBondContact O-N 2.79Å
446	A	26.2	Very low	29.7	Very low	116 Å²	116	118.2 Å²	118.2	96%	0.959	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	68.8	178.8	0	0	0	0	0	114.3
447	A	29	Very low	29.6	Very low	100 Å²	100	120 Å²	120	83%	0.826	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.9	-20.3	178.3	0	0	0	0	0	115.6	G445	G445-A447 VanDerWaalsContact C-N 3.29Å; G445-A447 PolarHBondContact O-N 2.79Å
448	G	29.4	Very low	29.6	Very low	74 Å²	74	119 Å²	119	76%	0.763	71%	0.707	S	S	*	*	S	Bend	trans	-98.1	-15.8	-170.1	0	0	0	0	0	117.7	R450	G448-R450 PolarHBondContact O-N 3.35Å
449	M	29.2	Very low	29.6	Very low	166 Å²	166	115.6 Å²	115.6	82%	0.818	68%	0.683	S	S	*	*			trans	-105	71	-162.6	-63.8	-163.4	-67.8	0	0	114.6	S453	M449-S453 PolarHBondContact O-OG 2.9Å
450	R	30	Very low	29.3	Very low	146 Å²	146	115.3 Å²	115.3	55%	0.551	67%	0.669	S	S	*	*	S	Bend	trans	-120.9	-16.5	170.6	-69.6	-168.8	-177.1	-172	0.2	116.3	G347 G448 F454	G347-R450 PolarHBondContact O-NH2 3.45Å; G448-R450 PolarHBondContact O-N 3.35Å; R450-F454 WeakPolarHBondContact O-CB 3.45Å
451	A	30.2	Very low	29.4	Very low	78 Å²	78	107.1 Å²	107.1	65%	0.645	65%	0.649	S	S	*	*	S	Bend	trans	-93.8	-68.7	-179.4	0	0	0	0	0	112.3	S453 F454 Q455	A451-S453 VanDerWaalsContact C-N 3.26Å; A451-S453 PolarHBondContact O-N 3.38Å; A451-F454 PolarHBondContact O-N 3.25Å; A451-F454 VanDerWaalsContact O-N 3.09Å; A451-Q455 PolarHBondContact O-N 3.41Å
452	A	30.1	Very low	29.4	Very low	81 Å²	81	105.3 Å²	105.3	67%	0.669	64%	0.637	S	S	*	*	H	α-helix	trans	-60.7	-32.4	-177.6	0	0	0	0	0	113.5	A456	A452-A456 WeakPolarHBondContact O-CB 3.19Å; A452-A456 PolarHBondContact O-N 3.44Å
453	S	33.6	Very low	29.3	Very low	52 Å²	52	109.3 Å²	109.3	36%	0.364	64%	0.638	S	S	.	*	H	α-helix	trans	-68.9	-36.6	174.7	41.1	0	0	0	0	113.2	M449 A451 M457	M449-S453 PolarHBondContact O-OG 2.9Å; A451-S453 VanDerWaalsContact C-N 3.26Å; A451-S453 PolarHBondContact O-N 3.38Å; S453-M457 WeakPolarHBondContact O-CB 3.32Å; S453-M457 PolarHBondContact O-N 3.44Å
454	F	28.2	Very low	29.4	Very low	120 Å²	120	114.6 Å²	114.6	53%	0.526	64%	0.637	S	S	.	*	H	α-helix	trans	-76.2	-41.1	175.9	-169.2	-96.9	0	0	0	111.3	R450 A451 A456 M457 V458	R450-F454 WeakPolarHBondContact O-CB 3.45Å; A451-F454 PolarHBondContact O-N 3.25Å; A451-F454 VanDerWaalsContact O-N 3.09Å; F454-A456 VanDerWaalsContact C-N 3.31Å; F454-A456 PolarHBondContact O-N 2.7Å; F454-M457 WeakPolarHBondContact O-CB 3.42Å; F454-M457 PolarHBondContact O-N 2.63Å; F454-M457 VanDerWaalsContact O-N 3.08Å; F454-V458 HydrophobicContact CD1-CG2 4.12Å; F454-V458 HydrophobicContact CE1-CG2 3.78Å; F454-V458 HydrophobicContact CZ-CG2 4.23Å; F454-V458 WeakPolarHBondContact O-CG2 3.21Å; F454-V458 PolarHBondContact O-N 3.15Å
455	Q	31.2	Very low	29.7	Very low	115 Å²	115	106.7 Å²	106.7	54%	0.537	62%	0.621	S	S	.	*	H	α-helix	trans	-61	-41.9	172.4	-152.2	76.5	27.5	0	0	111.1	A451 M457 V458 N459	A451-Q455 PolarHBondContact O-N 3.41Å; Q455-M457 VanDerWaalsContact C-N 3.32Å; Q455-M457 PolarHBondContact O-N 3.21Å; Q455-V458 PolarHBondContact O-N 2.66Å; Q455-N459 VanDerWaalsContact O-CB 3.23Å; Q455-N459 WeakPolarHBondContact O-CB 3.45Å; Q455-N459 PolarHBondContact O-N 2.81Å; Q455-N459 PolarHBondContact O-OD1 2.87Å
456	A	29.5	Very low	30.5	Very low	52 Å²	52	114.2 Å²	114.2	43%	0.43	63%	0.628	S	S	.	*	H	α-helix	trans	-63.5	-35.3	172.7	0	0	0	0	0	112.3	A452 F454 S460	A452-A456 WeakPolarHBondContact O-CB 3.19Å; A452-A456 PolarHBondContact O-N 3.44Å; F454-A456 VanDerWaalsContact C-N 3.31Å; F454-A456 PolarHBondContact O-N 2.7Å; A456-S460 WeakPolarHBondContact O-CA 3.27Å; A456-S460 WeakPolarHBondContact O-CB 3.32Å; A456-S460 PolarHBondContact O-N 3.23Å; A456-S460 PolarHBondContact O-OG 3.24Å; A456-S460 VanDerWaalsContact O-OG 3.06Å
457	M	27.2	Very low	31.8	Very low	124 Å²	124	114.8 Å²	114.8	61%	0.611	61%	0.606	S	S	*	*	H	α-helix	trans	-68.8	-44.8	176.8	-168.1	177.3	-67.8	0	0	112.2	S453 F454 Q455 S460 S461	S453-M457 WeakPolarHBondContact O-CB 3.32Å; S453-M457 PolarHBondContact O-N 3.44Å; F454-M457 WeakPolarHBondContact O-CB 3.42Å; F454-M457 PolarHBondContact O-N 2.63Å; F454-M457 VanDerWaalsContact O-N 3.08Å; Q455-M457 VanDerWaalsContact C-N 3.32Å; Q455-M457 PolarHBondContact O-N 3.21Å; M457-S460 WeakPolarHBondContact O-CB 3.43Å; M457-S460 PolarHBondContact O-N 2.72Å; M457-S461 PolarHBondContact O-N 3.13Å; M457-S461 PolarHBondContact O-OG 3.26Å
458	V	30.1	Very low	34.1	Very low	58 Å²	58	113.8 Å²	113.8	35%	0.352	58%	0.584	S	S	.	*	H	α-helix	trans	-63.3	-44.9	174.2	174.9	0	0	0	0	110.8	F454 Q455 S460 S461 Y462	F454-V458 HydrophobicContact CD1-CG2 4.12Å; F454-V458 HydrophobicContact CE1-CG2 3.78Å; F454-V458 HydrophobicContact CZ-CG2 4.23Å; F454-V458 WeakPolarHBondContact O-CG2 3.21Å; F454-V458 PolarHBondContact O-N 3.15Å; Q455-V458 PolarHBondContact O-N 2.66Å; V458-S460 VanDerWaalsContact C-N 3.26Å; V458-S460 PolarHBondContact O-N 3.28Å; V458-S461 WeakPolarHBondContact O-CB 3.45Å; V458-S461 PolarHBondContact O-N 2.67Å; V458-S461 VanDerWaalsContact O-N 3.17Å; V458-Y462 PolarHBondContact O-N 2.95Å
459	N	31.2	Very low	36.6	Very low	84 Å²	84	111 Å²	111	45%	0.449	55%	0.551	S	S	.	*	H	α-helix	trans	-70.4	-21.6	176.2	-66.2	16.5	0	0	0	112.4	Q455 R463	Q455-N459 VanDerWaalsContact O-CB 3.23Å; Q455-N459 WeakPolarHBondContact O-CB 3.45Å; Q455-N459 PolarHBondContact O-N 2.81Å; Q455-N459 PolarHBondContact O-OD1 2.87Å; N459-R463 VanDerWaalsContact O-CB 3.22Å; N459-R463 WeakPolarHBondContact O-CB 3.43Å; N459-R463 VanDerWaalsContact O-CG 3.29Å; N459-R463 WeakPolarHBondContact O-CG 3.5Å; N459-R463 PolarHBondContact O-N 2.67Å
460	S	26.8	Very low	39.2	Very low	73 Å²	73	103.2 Å²	103.2	51%	0.51	51%	0.512	S	S	.	.	H	α-helix	trans	-75.7	-33.5	169.7	-83.3	0	0	0	0	112.1	A456 M457 V458 R463 R464	A456-S460 WeakPolarHBondContact O-CA 3.27Å; A456-S460 WeakPolarHBondContact O-CB 3.32Å; A456-S460 PolarHBondContact O-N 3.23Å; A456-S460 PolarHBondContact O-OG 3.24Å; A456-S460 VanDerWaalsContact O-OG 3.06Å; M457-S460 WeakPolarHBondContact O-CB 3.43Å; M457-S460 PolarHBondContact O-N 2.72Å; V458-S460 VanDerWaalsContact C-N 3.26Å; V458-S460 PolarHBondContact O-N 3.28Å; S460-R463 CarbonylContact O-C 3.57Å; S460-R463 PolarHBondContact O-N 2.87Å; S460-R464 PolarHBondContact O-N 3.28Å
461	S	29.2	Very low	41.8	Very low	70 Å²	70	100.2 Å²	100.2	49%	0.49	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-44.9	168.8	-61.3	0	0	0	0	111	M457 V458 R463 R464	M457-S461 PolarHBondContact O-N 3.13Å; M457-S461 PolarHBondContact O-OG 3.26Å; V458-S461 WeakPolarHBondContact O-CB 3.45Å; V458-S461 PolarHBondContact O-N 2.67Å; V458-S461 VanDerWaalsContact O-N 3.17Å; S461-R463 PolarHBondContact O-N 2.71Å; S461-R464 WeakPolarHBondContact O-CB 3.44Å; S461-R464 PolarHBondContact O-N 2.75Å
462	Y	29.5	Very low	44.4	Very low	177 Å²	177	98.5 Å²	98.5	69%	0.694	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.9	173.1	-96.2	-87.2	0	0	0	114.7	V458	V458-Y462 PolarHBondContact O-N 2.95Å
463	R	31.2	Very low	47.1	Very low	211 Å²	211	94.7 Å²	94.7	80%	0.796	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	9.9	171.2	-82.6	-174.1	172.6	-153.7	-1.5	113.7	N459 S460 S461 S465	N459-R463 VanDerWaalsContact O-CB 3.22Å; N459-R463 WeakPolarHBondContact O-CB 3.43Å; N459-R463 VanDerWaalsContact O-CG 3.29Å; N459-R463 WeakPolarHBondContact O-CG 3.5Å; N459-R463 PolarHBondContact O-N 2.67Å; S460-R463 CarbonylContact O-C 3.57Å; S460-R463 PolarHBondContact O-N 2.87Å; S461-R463 PolarHBondContact O-N 2.71Å; R463-S465 VanDerWaalsContact C-N 3.33Å; R463-S465 PolarHBondContact O-N 3.39Å; R463-S465 VanDerWaalsContact O-N 3.12Å
464	R	30.4	Very low	49.6	Very low	178 Å²	178	94 Å²	94	67%	0.672	45%	0.448	S	S	*	.			trans	-72.2	97.3	156.5	-68.3	-179.1	175.5	-173.5	-3.2	105.7	S460 S461	S460-R464 PolarHBondContact O-N 3.28Å; S461-R464 WeakPolarHBondContact O-CB 3.44Å; S461-R464 PolarHBondContact O-N 2.75Å
465	S	33.7	Very low	52.1	Low	94 Å²	94	93.3 Å²	93.3	66%	0.657	45%	0.446	S	S	*	.				75	126.8	85.7	-72.6	0	0	0	0	109.5	R463 Y467	R463-S465 VanDerWaalsContact C-N 3.33Å; R463-S465 PolarHBondContact O-N 3.39Å; R463-S465 VanDerWaalsContact O-N 3.12Å; S465-Y467 PolarHBondContact O-N 3.24Å; S465-Y467 VanDerWaalsContact O-N 3.1Å
466	R	43.9	Very low	54.5	Low	229 Å²	229	90.4 Å²	90.4	86%	0.864	43%	0.43	S	S	*	.			trans	-49.2	120.8	172.4	-57.1	175.3	-170.8	165.2	-0.3	107.8	H468	R466-H468 PolarHBondContact O-CD2 2.75Å; R466-H468 VanDerWaalsContact O-CD2 3.3Å; R466-H468 PolarHBondContact O-N 2.87Å; R466-H468 VanDerWaalsContact O-N 3.08Å
467	Y	53.6	Low	57.1	Low	129 Å²	129	87.9 Å²	87.9	51%	0.506	41%	0.41	S	S	.	.			trans	-70	107.6	174.9	-74.7	-87.3	0	0	0	107.5	S465	S465-Y467 PolarHBondContact O-N 3.24Å; S465-Y467 VanDerWaalsContact O-N 3.1Å
468	H	78.3	Confident	59.7	Low	79 Å²	79	87.2 Å²	87.2	37%	0.366	40%	0.404	S	S	.	.			trans	-66.1	141.9	171.8	-74.2	-96.9	0	0	0	108.3	R466 G470 D471 I472 E533	R466-H468 PolarHBondContact O-CD2 2.75Å; R466-H468 VanDerWaalsContact O-CD2 3.3Å; R466-H468 PolarHBondContact O-N 2.87Å; R466-H468 VanDerWaalsContact O-N 3.08Å; H468-G470 PolarHBondContact O-N 2.66Å; H468-G470 VanDerWaalsContact O-N 3.12Å; H468-D471 WeakPolarHBondContact O-CB 3.34Å; H468-D471 PolarHBondContact O-N 3.06Å; H468-I472 PolarHBondContact O-N 2.56Å; H468-I472 VanDerWaalsContact O-N 3.12Å; H468-E533 IonicContact CE1-OE1 2.75Å; H468-E533 IonicContact CG-OE1 3.12Å; H468-E533 IonicContact ND1-OE1 2.69Å; H468-E533 PolarHBondContact ND1-OE1 3.44Å; H468-E533 IonicContact ND1-OE2 2.72Å
469	Y	81.9	Confident	62	Low	16 Å²	16	89.6 Å²	89.6	6%	0.063	41%	0.411	C	S	.	.	H	α-helix	trans	-58.1	-31.4	178.7	-68.4	-81.8	0	0	0	110.7	D471 I472 L473 E533 Q537 L540 T547 V550	Y469-D471 VanDerWaalsContact C-N 3.3Å; Y469-D471 PolarHBondContact O-N 2.63Å; Y469-I472 PolarHBondContact O-N 3.06Å; Y469-L473 WeakPolarHBondContact O-CB 3.25Å; Y469-L473 PolarHBondContact O-N 3.08Å; Y469-E533 HydrophobicContact CD2-CB 4.13Å; Y469-E533 PolarHBondContact N-OE2 2.9Å; Y469-Q537 HydrophobicContact CD1-CB 3.88Å; Y469-Q537 HydrophobicContact CD1-CG 4.02Å; Y469-Q537 HydrophobicContact CD2-CB 4.15Å; Y469-Q537 HydrophobicContact CE1-CB 4.04Å; Y469-Q537 HydrophobicContact CE1-CG 3.68Å; Y469-Q537 HydrophobicContact CE2-CB 4.29Å; Y469-Q537 HydrophobicContact CE2-CG 4.35Å; Y469-Q537 HydrophobicContact CG-CB 3.92Å; Y469-Q537 HydrophobicContact CG-CG 4.48Å; Y469-L540 HydrophobicContact CD1-CD1 4.07Å; Y469-T547 HydrophobicContact CD1-CG2 4.34Å; Y469-T547 HydrophobicContact CE1-CG2 4.2Å; Y469-V550 HydrophobicContact CD1-CB 4.48Å; Y469-V550 HydrophobicContact CD1-CG1 4.47Å; Y469-V550 HydrophobicContact CD1-CG2 4.21Å; Y469-V550 HydrophobicContact CE1-CB 3.63Å; Y469-V550 HydrophobicContact CE1-CG1 4Å; Y469-V550 HydrophobicContact CE1-CG2 3.56Å; Y469-V550 HydrophobicContact CE2-CG1 4.43Å
470	G	84.3	Confident	64.4	Low	1 Å²	1	88.7 Å²	88.7	1%	0.01	41%	0.406	C	S	.	.	H	α-helix	trans	-66.6	-25	175.1	0	0	0	0	0	115.3	H468 D474 Y487	H468-G470 PolarHBondContact O-N 2.66Å; H468-G470 VanDerWaalsContact O-N 3.12Å; G470-D474 PolarHBondContact O-N 3.16Å; G470-Y487 VanDerWaalsContact CA-OH 3.23Å; G470-Y487 WeakPolarHBondContact CA-OH 3.42Å; G470-Y487 PolarHBondContact O-OH 3.01Å
471	D	84.6	Confident	67.1	Low	83 Å²	83	91.9 Å²	91.9	44%	0.444	42%	0.417	S	S	.	.	H	α-helix	trans	-82.2	-42	173.1	-63.4	-30	0	0	0	110.3	H468 Y469 L473 D474 E475	H468-D471 WeakPolarHBondContact O-CB 3.34Å; H468-D471 PolarHBondContact O-N 3.06Å; Y469-D471 VanDerWaalsContact C-N 3.3Å; Y469-D471 PolarHBondContact O-N 2.63Å; D471-L473 VanDerWaalsContact C-N 3.3Å; D471-L473 PolarHBondContact O-N 3.33Å; D471-D474 PolarHBondContact O-N 2.7Å; D471-E475 PolarHBondContact O-N 3.21Å
472	I	83.7	Confident	69.7	Low	43 Å²	43	91.1 Å²	91.1	22%	0.221	40%	0.404	C	S	.	.	H	α-helix	trans	-58.1	-43.7	174.4	-60.8	171.4	0	0	0	110.3	H468 Y469 E475 Y476 L540 V550	H468-I472 PolarHBondContact O-N 2.56Å; H468-I472 VanDerWaalsContact O-N 3.12Å; Y469-I472 PolarHBondContact O-N 3.06Å; I472-E475 PolarHBondContact O-N 3.11Å; I472-Y476 VanDerWaalsContact O-CB 3.29Å; I472-Y476 WeakPolarHBondContact O-CB 3.47Å; I472-Y476 PolarHBondContact O-N 3.12Å; I472-L540 HydrophobicContact CB-CD1 4.04Å; I472-L540 HydrophobicContact CG2-CD1 3.81Å; I472-L540 HydrophobicContact CG2-CD2 4.08Å; I472-V550 HydrophobicContact CD1-CG1 4.3Å; I472-V550 HydrophobicContact CD1-CG2 4.15Å
473	L	86.1	Confident	72.3	Confident	0 Å²	0	84.3 Å²	84.3	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-66.9	-39.9	178.4	-176.6	61.5	0	0	0	112.6	Y469 D471 Y476 C477 P485 I507 I509 A536 V539 L540 L543	Y469-L473 WeakPolarHBondContact O-CB 3.25Å; Y469-L473 PolarHBondContact O-N 3.08Å; D471-L473 VanDerWaalsContact C-N 3.3Å; D471-L473 PolarHBondContact O-N 3.33Å; L473-Y476 PolarHBondContact O-N 3.44Å; L473-C477 WeakPolarHBondContact O-CB 3.08Å; L473-C477 PolarHBondContact O-N 3.06Å; L473-C477 PolarHBondContact O-SG 3.35Å; L473-P485 HydrophobicContact CD2-CB 4.16Å; L473-P485 HydrophobicContact CD2-CG 4.29Å; L473-P485 HydrophobicContact CG-CB 4.35Å; L473-P485 HydrophobicContact CG-CG 4.1Å; L473-I507 HydrophobicContact CD2-CD1 3.96Å; L473-I507 HydrophobicContact CD2-CG2 4.34Å; L473-I509 HydrophobicContact CD1-CD1 4.27Å; L473-A536 HydrophobicContact CB-CB 4.44Å; L473-A536 HydrophobicContact CD2-CB 4.14Å; L473-V539 HydrophobicContact CD1-CB 4.47Å; L473-V539 HydrophobicContact CD1-CG1 3.82Å; L473-V539 HydrophobicContact CD2-CB 4.02Å; L473-V539 HydrophobicContact CD2-CG1 3.91Å; L473-L540 HydrophobicContact CB-CD1 4.32Å; L473-L540 HydrophobicContact CB-CD2 4.16Å; L473-L540 HydrophobicContact CB-CG 4.08Å; L473-L540 HydrophobicContact CD1-CD2 3.84Å; L473-L540 HydrophobicContact CD1-CG 4.01Å; L473-L543 HydrophobicContact CD1-CD1 3.64Å
474	D	86.4	Confident	74.9	Confident	38 Å²	38	77 Å²	77	20%	0.203	37%	0.369	C	S	.	.	H	α-helix	trans	-68.1	-38.3	176.2	179.5	47.5	0	0	0	111.8	G470 D471 K478 S484 P485	G470-D474 PolarHBondContact O-N 3.16Å; D471-D474 PolarHBondContact O-N 2.7Å; D474-K478 VanDerWaalsContact CG-NZ 3.27Å; D474-K478 WeakPolarHBondContact O-CB 3.49Å; D474-K478 WeakPolarHBondContact O-CD 3.11Å; D474-K478 WeakPolarHBondContact O-CG 3.26Å; D474-K478 PolarHBondContact O-N 3.39Å; D474-K478 WeakPolarHBondContact OD1-CE 3.22Å; D474-K478 IonicContact OD1-NZ 3.3Å; D474-K478 PolarHBondContact OD1-NZ 3.41Å; D474-K478 WeakPolarHBondContact OD2-CE 3.45Å; D474-K478 IonicContact OD2-NZ 2.6Å; D474-K478 PolarHBondContact OD2-NZ 2.87Å; D474-S484 WeakPolarHBondContact OD1-CB 3.48Å; D474-S484 PolarHBondContact OD1-OG 3.31Å; D474-P485 HydrophobicContact CB-CG 4.18Å
475	E	80.9	Confident	77.7	Confident	105 Å²	105	69.2 Å²	69.2	49%	0.491	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-43	172.6	-173.8	162.8	-158.2	0	0	112.2	D471 I472 C477 K478 Q479	D471-E475 PolarHBondContact O-N 3.21Å; I472-E475 PolarHBondContact O-N 3.11Å; E475-C477 PolarHBondContact O-N 3.44Å; E475-K478 WeakPolarHBondContact O-CB 3.44Å; E475-K478 PolarHBondContact O-N 2.73Å; E475-Q479 WeakPolarHBondContact O-CG 3.49Å; E475-Q479 PolarHBondContact O-N 3.34Å
476	Y	81.9	Confident	80.4	Confident	54 Å²	54	72.2 Å²	72.2	21%	0.212	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-40.7	177	-167.4	-102.5	0	0	0	112.4	I472 L473 K478 Q479 N480 W482 L543 V545	I472-Y476 VanDerWaalsContact O-CB 3.29Å; I472-Y476 WeakPolarHBondContact O-CB 3.47Å; I472-Y476 PolarHBondContact O-N 3.12Å; L473-Y476 PolarHBondContact O-N 3.44Å; Y476-K478 VanDerWaalsContact C-N 3.32Å; Y476-K478 PolarHBondContact O-N 2.84Å; Y476-Q479 PolarHBondContact O-N 2.75Å; Y476-N480 PolarHBondContact O-N 3.45Å; Y476-N480 VanDerWaalsContact O-N 3.16Å; Y476-N480 PolarHBondContact O-ND2 3.38Å; Y476-W482 AromaticContact CD1-CZ3 3.88Å; Y476-W482 HydrophobicContact CD1-CZ3 3.88Å; Y476-W482 AromaticContact CE1-CH2 3.92Å; Y476-W482 HydrophobicContact CE1-CH2 3.92Å; Y476-W482 AromaticContact CE1-CZ3 3.64Å; Y476-W482 HydrophobicContact CE1-CZ3 3.64Å; Y476-L543 HydrophobicContact CD1-CD1 4.21Å; Y476-L543 HydrophobicContact CE1-CB 4.19Å; Y476-L543 HydrophobicContact CE1-CD1 4.37Å; Y476-V545 HydrophobicContact CD1-CG2 3.91Å; Y476-V545 HydrophobicContact CD2-CG2 3.9Å; Y476-V545 HydrophobicContact CE1-CG2 3.58Å; Y476-V545 HydrophobicContact CE2-CG2 3.57Å; Y476-V545 HydrophobicContact CG-CG2 4.06Å
477	C	84	Confident	82.6	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-33.1	173.9	-66.2	0	0	0	0	112.2	L473 E475 N481 W482 G483	L473-C477 WeakPolarHBondContact O-CB 3.08Å; L473-C477 PolarHBondContact O-N 3.06Å; L473-C477 PolarHBondContact O-SG 3.35Å; E475-C477 PolarHBondContact O-N 3.44Å; C477-N481 PolarHBondContact O-N 2.7Å; C477-N481 VanDerWaalsContact O-N 3.16Å; C477-W482 HydrophobicContact CB-CB 4.39Å; C477-W482 PolarHBondContact O-N 2.81Å; C477-G483 VanDerWaalsContact CB-O 3.31Å; C477-G483 WeakPolarHBondContact CB-O 3.49Å
478	K	82.5	Confident	84.4	Confident	110 Å²	110	60.2 Å²	60.2	48%	0.478	30%	0.3	S	S	.	.	H	α-helix	trans	-69.4	-44.4	173.6	-77.4	164.3	180	165.5	0	112.4	D474 E475 Y476 N480 N481 S484	D474-K478 VanDerWaalsContact CG-NZ 3.27Å; D474-K478 WeakPolarHBondContact O-CB 3.49Å; D474-K478 WeakPolarHBondContact O-CD 3.11Å; D474-K478 WeakPolarHBondContact O-CG 3.26Å; D474-K478 PolarHBondContact O-N 3.39Å; D474-K478 WeakPolarHBondContact OD1-CE 3.22Å; D474-K478 IonicContact OD1-NZ 3.3Å; D474-K478 PolarHBondContact OD1-NZ 3.41Å; D474-K478 WeakPolarHBondContact OD2-CE 3.45Å; D474-K478 IonicContact OD2-NZ 2.6Å; D474-K478 PolarHBondContact OD2-NZ 2.87Å; E475-K478 WeakPolarHBondContact O-CB 3.44Å; E475-K478 PolarHBondContact O-N 2.73Å; Y476-K478 VanDerWaalsContact C-N 3.32Å; Y476-K478 PolarHBondContact O-N 2.84Å; K478-N480 PolarHBondContact O-N 2.96Å; K478-N481 PolarHBondContact O-N 2.75Å; K478-N481 VanDerWaalsContact O-N 3.08Å; K478-S484 WeakPolarHBondContact CE-OG 3.23Å
479	Q	77.8	Confident	85	Confident	108 Å²	108	59.7 Å²	59.7	51%	0.505	30%	0.3	S	S	.	.	H	α-helix	trans	-58.7	-37.9	176.8	-72.1	177.2	15.1	0	0	111.8	E475 Y476	E475-Q479 WeakPolarHBondContact O-CG 3.49Å; E475-Q479 PolarHBondContact O-N 3.34Å; Y476-Q479 PolarHBondContact O-N 2.75Å
480	N	81.3	Confident	85.2	Confident	64 Å²	64	61.9 Å²	61.9	34%	0.342	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	5.6	177.7	-66.2	-76.8	0	0	0	114.6	Y476 K478 W482	Y476-N480 PolarHBondContact O-N 3.45Å; Y476-N480 VanDerWaalsContact O-N 3.16Å; Y476-N480 PolarHBondContact O-ND2 3.38Å; K478-N480 PolarHBondContact O-N 2.96Å; N480-W482 HydrophobicContact CB-CD2 3.52Å; N480-W482 VanDerWaalsContact CB-CE2 3.42Å; N480-W482 HydrophobicContact CB-CE3 3.88Å; N480-W482 HydrophobicContact CB-CG 4Å; N480-W482 HydrophobicContact CB-CH2 4.05Å; N480-W482 HydrophobicContact CB-CZ2 3.71Å; N480-W482 HydrophobicContact CB-CZ3 4.12Å; N480-W482 VanDerWaalsContact O-CD1 3.24Å; N480-W482 PolarHBondContact O-N 2.79Å
481	N	83.5	Confident	85.4	Confident	140 Å²	140	65.5 Å²	65.5	75%	0.749	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	30.5	-175.8	-66.6	-65.5	0	0	0	115.2	C477 K478 G483	C477-N481 PolarHBondContact O-N 2.7Å; C477-N481 VanDerWaalsContact O-N 3.16Å; K478-N481 PolarHBondContact O-N 2.75Å; K478-N481 VanDerWaalsContact O-N 3.08Å; N481-G483 VanDerWaalsContact C-N 3.32Å; N481-G483 PolarHBondContact O-N 2.94Å
482	W	84.5	Confident	85.4	Confident	55 Å²	55	65.3 Å²	65.3	21%	0.208	34%	0.339	C	S	.	.			trans	-83.9	-2.7	-178.8	-62	-26.1	0	0	0	115.4	Y476 C477 N480 I509 S511 L512 L543	Y476-W482 AromaticContact CD1-CZ3 3.88Å; Y476-W482 HydrophobicContact CD1-CZ3 3.88Å; Y476-W482 AromaticContact CE1-CH2 3.92Å; Y476-W482 HydrophobicContact CE1-CH2 3.92Å; Y476-W482 AromaticContact CE1-CZ3 3.64Å; Y476-W482 HydrophobicContact CE1-CZ3 3.64Å; C477-W482 HydrophobicContact CB-CB 4.39Å; C477-W482 PolarHBondContact O-N 2.81Å; N480-W482 HydrophobicContact CB-CD2 3.52Å; N480-W482 VanDerWaalsContact CB-CE2 3.42Å; N480-W482 HydrophobicContact CB-CE3 3.88Å; N480-W482 HydrophobicContact CB-CG 4Å; N480-W482 HydrophobicContact CB-CH2 4.05Å; N480-W482 HydrophobicContact CB-CZ2 3.71Å; N480-W482 HydrophobicContact CB-CZ3 4.12Å; N480-W482 VanDerWaalsContact O-CD1 3.24Å; N480-W482 PolarHBondContact O-N 2.79Å; W482-I509 HydrophobicContact CB-CG2 3.58Å; W482-I509 HydrophobicContact CG-CG2 4.41Å; W482-S511 WeakPolarHBondContact CA-OG 3.48Å; W482-S511 PolarHBondContact O-N 2.91Å; W482-S511 PolarHBondContact O-OG 3.27Å; W482-L512 HydrophobicContact CD2-CD1 3.79Å; W482-L512 HydrophobicContact CD2-CD2 4.25Å; W482-L512 HydrophobicContact CD2-CG 3.96Å; W482-L512 HydrophobicContact CE3-CD1 3.62Å; W482-L512 HydrophobicContact CE3-CG 4.29Å; W482-L512 HydrophobicContact CG-CD1 4.43Å; W482-L512 HydrophobicContact CG-CD2 4.5Å; W482-L512 HydrophobicContact CG-CG 4.13Å; W482-L512 HydrophobicContact CH2-CD1 4.23Å; W482-L512 HydrophobicContact CZ2-CD1 4.37Å; W482-L512 HydrophobicContact CZ2-CD2 4.37Å; W482-L512 HydrophobicContact CZ3-CD1 3.86Å; W482-L543 HydrophobicContact CH2-CD2 4.13Å; W482-L543 HydrophobicContact CZ3-CD1 4.07Å; W482-L543 HydrophobicContact CZ3-CD2 3.78Å; W482-L543 HydrophobicContact CZ3-CG 4.44Å
483	G	82.9	Confident	85.2	Confident	33 Å²	33	66.1 Å²	66.1	34%	0.34	35%	0.349	S	S	.	.			trans	79.3	155	-172.4	0	0	0	0	0	112.5	C477 N481	C477-G483 VanDerWaalsContact CB-O 3.31Å; C477-G483 WeakPolarHBondContact CB-O 3.49Å; N481-G483 VanDerWaalsContact C-N 3.32Å; N481-G483 PolarHBondContact O-N 2.94Å
484	S	86.2	Confident	84.3	Confident	59 Å²	59	72.3 Å²	72.3	41%	0.413	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-64.4	135.8	-178.6	-74.5	0	0	0	0	112	D474 K478	D474-S484 WeakPolarHBondContact OD1-CB 3.48Å; D474-S484 PolarHBondContact OD1-OG 3.31Å; K478-S484 WeakPolarHBondContact CE-OG 3.23Å
485	P	89.5	Confident	83.3	Confident	14 Å²	14	78.4 Å²	78.4	9%	0.091	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-63.8	133.9	-179.5	26.3	-35.4	0	0	0	111.7	L473 D474 Y487 I507 I509	L473-P485 HydrophobicContact CD2-CB 4.16Å; L473-P485 HydrophobicContact CD2-CG 4.29Å; L473-P485 HydrophobicContact CG-CB 4.35Å; L473-P485 HydrophobicContact CG-CG 4.1Å; D474-P485 HydrophobicContact CB-CG 4.18Å; P485-Y487 HydrophobicContact CB-CE2 4.08Å; P485-Y487 HydrophobicContact CG-CE2 3.96Å; P485-Y487 WeakPolarHBondContact O-CD2 3.28Å; P485-I507 HydrophobicContact CB-CG2 3.86Å; P485-I509 HydrophobicContact CB-CG1 4.22Å
486	R	90.3	Very high	82.6	Confident	157 Å²	157	75.4 Å²	75.4	59%	0.592	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.2	175	-70.2	171.1	165.9	-172.7	-2.5	109.9	I507 E508	R486-I507 CarbonylContact O-C 3.58Å; R486-I507 WeakPolarHBondContact O-CA 3.25Å; R486-E508 HydrophobicContact CB-CB 4.2Å; R486-E508 WeakPolarHBondContact CD-OE2 3.36Å; R486-E508 PolarHBondContact N-O 2.84Å; R486-E508 IonicContact NH1-OE2 3.26Å; R486-E508 PolarHBondContact NH1-OE2 2.77Å; R486-E508 PolarHBondContact O-N 2.83Å
487	Y	91.2	Very high	81.4	Confident	55 Å²	55	79.4 Å²	79.4	22%	0.216	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.1	-178	-66.4	-103.1	0	0	0	109.4	G470 P485 Y505 I507 R532 A536	G470-Y487 VanDerWaalsContact CA-OH 3.23Å; G470-Y487 WeakPolarHBondContact CA-OH 3.42Å; G470-Y487 PolarHBondContact O-OH 3.01Å; P485-Y487 HydrophobicContact CB-CE2 4.08Å; P485-Y487 HydrophobicContact CG-CE2 3.96Å; P485-Y487 WeakPolarHBondContact O-CD2 3.28Å; Y487-Y505 HydrophobicContact CD1-CD1 4.39Å; Y487-Y505 HydrophobicContact CD1-CG 4.47Å; Y487-I507 HydrophobicContact CD1-CD1 3.8Å; Y487-I507 HydrophobicContact CD1-CG1 3.79Å; Y487-I507 HydrophobicContact CE1-CD1 3.39Å; Y487-I507 HydrophobicContact CE1-CG1 3.93Å; Y487-I507 HydrophobicContact CG-CG1 4.43Å; Y487-R532 HydrophobicContact CD1-CG 3.7Å; Y487-R532 HydrophobicContact CE1-CG 3.58Å; Y487-A536 HydrophobicContact CE1-CB 4.35Å
488	S	90.4	Very high	80.4	Confident	51 Å²	51	85.9 Å²	85.9	36%	0.357	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121	176.5	53.7	0	0	0	0	110.4	Y505 N506	S488-Y505 VanDerWaalsContact O-CA 3.32Å; S488-Y505 WeakPolarHBondContact O-CA 3.41Å; S488-N506 PolarHBondContact N-O 3.43Å; S488-N506 PolarHBondContact O-N 2.77Å; S488-N506 PolarHBondContact OG-O 2.82Å
489	L	90.7	Very high	79.7	Confident	68 Å²	68	84.6 Å²	84.6	36%	0.356	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.1	-172.2	177.3	66.3	0	0	0	111.3	Y503 Y505 K528	L489-Y503 HydrophobicContact CD1-CD1 3.99Å; L489-Y503 HydrophobicContact CD1-CG 4.36Å; L489-Y505 HydrophobicContact CB-CD1 4.09Å; L489-Y505 HydrophobicContact CB-CE1 3.64Å; L489-Y505 HydrophobicContact CD1-CD1 4.47Å; L489-Y505 HydrophobicContact CD1-CD2 4.16Å; L489-Y505 HydrophobicContact CD1-CE1 4.11Å; L489-Y505 HydrophobicContact CD1-CE2 3.73Å; L489-Y505 HydrophobicContact CG-CE1 4.43Å; L489-K528 HydrophobicContact CD2-CD 4.24Å
490	N	87.4	Confident	79.7	Confident	62 Å²	62	83.6 Å²	83.6	33%	0.332	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	150.1	165.2	-55.9	-45.4	0	0	0	109.5	Y503 S504 N506	N490-Y503 WeakPolarHBondContact O-CA 3.29Å; N490-S504 PolarHBondContact N-O 3.45Å; N490-S504 PolarHBondContact O-N 3.3Å; N490-N506 PolarHBondContact ND2-ND2 3.39Å; N490-N506 VanDerWaalsContact ND2-ND2 3.14Å; N490-N506 PolarHBondContact ND2-OD1 2.87Å
491	S	87.1	Confident	79.8	Confident	77 Å²	77	86 Å²	86	54%	0.538	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	130.9	174.4	67.5	0	0	0	0	112.7	L502	S491-L502 CarbonylContact C-O 3.44Å; S491-L502 VanDerWaalsContact CA-O 3.28Å; S491-L502 WeakPolarHBondContact CA-O 3.08Å
492	T	84.5	Confident	79.9	Confident	78 Å²	78	81.5 Å²	81.5	48%	0.479	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.8	177	-59.7	0	0	0	0	109.1	K501 L502	T492-K501 WeakPolarHBondContact O-CA 3.47Å; T492-L502 PolarHBondContact N-O 2.96Å; T492-L502 PolarHBondContact O-N 2.86Å
493	S	79.9	Confident	80.2	Confident	61 Å²	61	80.7 Å²	80.7	43%	0.427	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133	169.5	-50.1	0	0	0	0	107.7
494	Q	68.3	Low	80.5	Confident	130 Å²	130	79.6 Å²	79.6	61%	0.607	44%	0.444	S	S	*	.			trans	-91.6	118.5	172.2	-161.6	169.3	23.8	0	0	108.7	G496 I500	Q494-G496 PolarHBondContact O-N 3.16Å; Q494-I500 PolarHBondContact N-O 2.87Å; Q494-I500 VanDerWaalsContact N-O 3.13Å
495	D	64.7	Low	80.8	Confident	165 Å²	165	78.6 Å²	78.6	88%	0.882	43%	0.431	S	S	*	.			trans	-72.3	110.9	-178.7	-73.8	-41.2	0	0	0	110.6
496	G	65.3	Low	80.8	Confident	42 Å²	42	78.7 Å²	78.7	43%	0.433	43%	0.431	S	S	.	.	S	Bend	trans	-172.2	171.2	-178.3	0	0	0	0	0	110.6	Q494 D498 S499	Q494-G496 PolarHBondContact O-N 3.16Å; G496-D498 VanDerWaalsContact C-N 3.28Å; G496-D498 PolarHBondContact O-N 3.15Å; G496-S499 PolarHBondContact O-N 2.77Å
497	P	56.9	Low	80.8	Confident	138 Å²	138	71.2 Å²	71.2	90%	0.896	40%	0.403	S	S	*	.	S	Bend	trans	-61.3	-37.4	-179.2	24.4	-33.2	0	0	0	112.3
498	D	64.4	Low	80.6	Confident	137 Å²	137	71.1 Å²	71.1	73%	0.733	41%	0.405	S	S	*	.	S	Bend	trans	-97.4	83.2	167.7	-67.1	-57.1	0	0	0	109.4	G496 I500	G496-D498 VanDerWaalsContact C-N 3.28Å; G496-D498 PolarHBondContact O-N 3.15Å; D498-I500 VanDerWaalsContact C-N 3.33Å; D498-I500 PolarHBondContact O-N 2.84Å
499	S	67.9	Low	80.4	Confident	82 Å²	82	68.7 Å²	68.7	57%	0.573	39%	0.388	S	S	*	.			trans	-73	79.9	-174.7	69.2	0	0	0	0	112.5	G496	G496-S499 PolarHBondContact O-N 2.77Å
500	I	76.5	Confident	80.1	Confident	88 Å²	88	68.3 Å²	68.3	45%	0.451	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-71	133	176.9	-62	172.8	0	0	0	109.6	Q494 D498 L502 P526	Q494-I500 PolarHBondContact N-O 2.87Å; Q494-I500 VanDerWaalsContact N-O 3.13Å; D498-I500 VanDerWaalsContact C-N 3.33Å; D498-I500 PolarHBondContact O-N 2.84Å; I500-L502 HydrophobicContact CG2-CD2 3.87Å; I500-L502 HydrophobicContact CG2-CG 4.42Å; I500-P526 HydrophobicContact CG2-CB 4.16Å
501	K	83.6	Confident	79.6	Confident	115 Å²	115	68.9 Å²	68.9	50%	0.5	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.2	168.6	-71.2	-174.1	176.8	-178.8	0	109.4	T492 Y503	T492-K501 WeakPolarHBondContact O-CA 3.47Å; K501-Y503 HydrophobicContact CB-CE2 4.34Å
502	L	86.1	Confident	79.2	Confident	44 Å²	44	66.3 Å²	66.3	23%	0.23	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	143	176.8	-59.1	175.4	0	0	0	109.6	S491 T492 I500 M524 P526	S491-L502 CarbonylContact C-O 3.44Å; S491-L502 VanDerWaalsContact CA-O 3.28Å; S491-L502 WeakPolarHBondContact CA-O 3.08Å; T492-L502 PolarHBondContact N-O 2.96Å; T492-L502 PolarHBondContact O-N 2.86Å; I500-L502 HydrophobicContact CG2-CD2 3.87Å; I500-L502 HydrophobicContact CG2-CG 4.42Å; L502-M524 HydrophobicContact CB-CB 3.8Å; L502-P526 HydrophobicContact CD2-CB 4.39Å
503	Y	89.9	Confident	78.8	Confident	39 Å²	39	64.7 Å²	64.7	15%	0.153	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.9	-176.1	-56.8	-72.6	0	0	0	110.5	L489 N490 K501 M524 V525 P526 K528	L489-Y503 HydrophobicContact CD1-CD1 3.99Å; L489-Y503 HydrophobicContact CD1-CG 4.36Å; N490-Y503 WeakPolarHBondContact O-CA 3.29Å; K501-Y503 HydrophobicContact CB-CE2 4.34Å; Y503-M524 CarbonylContact O-C 3.59Å; Y503-M524 VanDerWaalsContact O-CA 3.3Å; Y503-M524 WeakPolarHBondContact O-CA 3.4Å; Y503-V525 PolarHBondContact N-O 2.77Å; Y503-V525 PolarHBondContact O-N 2.79Å; Y503-P526 WeakPolarHBondContact CD2-O 3.3Å; Y503-P526 WeakPolarHBondContact CE2-O 3.47Å; Y503-K528 HydrophobicContact CD1-CD 4.46Å; Y503-K528 HydrophobicContact CD1-CG 3.99Å; Y503-K528 HydrophobicContact CD2-CG 3.69Å; Y503-K528 HydrophobicContact CE1-CD 4.3Å; Y503-K528 HydrophobicContact CE1-CG 4.14Å; Y503-K528 HydrophobicContact CE2-CG 3.84Å; Y503-K528 HydrophobicContact CG-CG 3.76Å
504	S	90.8	Very high	78.2	Confident	9 Å²	9	67 Å²	67	6%	0.063	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.2	163.2	65.5	0	0	0	0	109.8	N490	N490-S504 PolarHBondContact N-O 3.45Å; N490-S504 PolarHBondContact O-N 3.3Å
505	Y	91.1	Very high	78.1	Confident	38 Å²	38	64.8 Å²	64.8	15%	0.149	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.2	172.8	-81.1	-86.9	0	0	0	110.5	Y487 S488 L489 K528 A531 R532 A535	Y487-Y505 HydrophobicContact CD1-CD1 4.39Å; Y487-Y505 HydrophobicContact CD1-CG 4.47Å; S488-Y505 VanDerWaalsContact O-CA 3.32Å; S488-Y505 WeakPolarHBondContact O-CA 3.41Å; L489-Y505 HydrophobicContact CB-CD1 4.09Å; L489-Y505 HydrophobicContact CB-CE1 3.64Å; L489-Y505 HydrophobicContact CD1-CD1 4.47Å; L489-Y505 HydrophobicContact CD1-CD2 4.16Å; L489-Y505 HydrophobicContact CD1-CE1 4.11Å; L489-Y505 HydrophobicContact CD1-CE2 3.73Å; L489-Y505 HydrophobicContact CG-CE1 4.43Å; Y505-K528 WeakPolarHBondContact CE2-O 3.26Å; Y505-A531 HydrophobicContact CD2-CB 3.85Å; Y505-A531 HydrophobicContact CE2-CB 4.19Å; Y505-R532 HydrophobicContact CD2-CB 3.98Å; Y505-R532 HydrophobicContact CE2-CB 3.9Å; Y505-A535 VanDerWaalsContact O-CB 3.31Å; Y505-A535 WeakPolarHBondContact O-CB 3.49Å
506	N	89.6	Confident	78.3	Confident	16 Å²	16	60.2 Å²	60.2	9%	0.086	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	143.8	160.7	-60.9	-21.1	0	0	0	108.7	S488 N490 L518 F519 Q520	S488-N506 PolarHBondContact N-O 3.43Å; S488-N506 PolarHBondContact O-N 2.77Å; S488-N506 PolarHBondContact OG-O 2.82Å; N490-N506 PolarHBondContact ND2-ND2 3.39Å; N490-N506 VanDerWaalsContact ND2-ND2 3.14Å; N490-N506 PolarHBondContact ND2-OD1 2.87Å; N506-L518 HydrophobicContact CB-CD2 3.72Å; N506-L518 HydrophobicContact CB-CG 4.32Å; N506-F519 CarbonylContact C-O 3.56Å; N506-F519 VanDerWaalsContact CA-O 3.27Å; N506-F519 WeakPolarHBondContact CA-O 3.32Å; N506-Q520 WeakPolarHBondContact OD1-CA 3.3Å
507	I	89.8	Confident	78.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.5	-178.2	-60.1	-180	0	0	0	110.8	L473 P485 R486 Y487 I509 F519 A535 A536 V539	L473-I507 HydrophobicContact CD2-CD1 3.96Å; L473-I507 HydrophobicContact CD2-CG2 4.34Å; P485-I507 HydrophobicContact CB-CG2 3.86Å; R486-I507 CarbonylContact O-C 3.58Å; R486-I507 WeakPolarHBondContact O-CA 3.25Å; Y487-I507 HydrophobicContact CD1-CD1 3.8Å; Y487-I507 HydrophobicContact CD1-CG1 3.79Å; Y487-I507 HydrophobicContact CE1-CD1 3.39Å; Y487-I507 HydrophobicContact CE1-CG1 3.93Å; Y487-I507 HydrophobicContact CG-CG1 4.43Å; I507-I509 HydrophobicContact CG2-CG1 4.28Å; I507-F519 HydrophobicContact CB-CB 4.41Å; I507-F519 PolarHBondContact N-O 2.86Å; I507-F519 PolarHBondContact O-N 2.88Å; I507-A535 HydrophobicContact CD1-CB 3.86Å; I507-A535 HydrophobicContact CG1-CB 4.23Å; I507-A536 HydrophobicContact CD1-CB 4.44Å; I507-V539 HydrophobicContact CB-CG2 4.04Å; I507-V539 HydrophobicContact CD1-CG2 3.92Å; I507-V539 HydrophobicContact CG1-CG2 4.39Å; I507-V539 HydrophobicContact CG2-CG2 4.45Å
508	E	88.3	Confident	79.4	Confident	54 Å²	54	57 Å²	57	25%	0.252	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.2	171.3	-177.8	-167.6	-159.9	0	0	109	R486 T513 L518	R486-E508 HydrophobicContact CB-CB 4.2Å; R486-E508 WeakPolarHBondContact CD-OE2 3.36Å; R486-E508 PolarHBondContact N-O 2.84Å; R486-E508 IonicContact NH1-OE2 3.26Å; R486-E508 PolarHBondContact NH1-OE2 2.77Å; R486-E508 PolarHBondContact O-N 2.83Å; E508-T513 HydrophobicContact CG-CG2 4.17Å; E508-T513 VanDerWaalsContact CG-OG1 3.23Å; E508-T513 WeakPolarHBondContact CG-OG1 3.49Å; E508-T513 PolarHBondContact OE1-OG1 3.01Å; E508-L518 HydrophobicContact CB-CD1 3.8Å; E508-L518 HydrophobicContact CG-CD1 4.26Å
509	I	86.6	Confident	80.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	31%	0.314	C	S	.	.			trans	-107.3	110.2	172.2	-65.1	172.9	0	0	0	107.6	L473 W482 P485 I507 S511 L512 T513 F519 V539 L543	L473-I509 HydrophobicContact CD1-CD1 4.27Å; W482-I509 HydrophobicContact CB-CG2 3.58Å; W482-I509 HydrophobicContact CG-CG2 4.41Å; P485-I509 HydrophobicContact CB-CG1 4.22Å; I507-I509 HydrophobicContact CG2-CG1 4.28Å; I509-S511 VanDerWaalsContact C-N 3.35Å; I509-S511 PolarHBondContact O-N 3.38Å; I509-S511 VanDerWaalsContact O-N 3.1Å; I509-L512 HydrophobicContact CB-CB 4.15Å; I509-L512 HydrophobicContact CB-CD1 4.43Å; I509-L512 HydrophobicContact CD1-CD1 4.26Å; I509-L512 HydrophobicContact CG2-CB 4.09Å; I509-L512 HydrophobicContact CG2-CD1 4.03Å; I509-L512 HydrophobicContact CG2-CG 4Å; I509-L512 CarbonylContact O-C 3.48Å; I509-L512 WeakPolarHBondContact O-CA 3.46Å; I509-L512 PolarHBondContact O-N 3.21Å; I509-T513 PolarHBondContact O-N 3.45Å; I509-T513 PolarHBondContact O-OG1 3.19Å; I509-T513 VanDerWaalsContact O-OG1 3.08Å; I509-F519 HydrophobicContact CD1-CD2 4.44Å; I509-F519 HydrophobicContact CD1-CE2 3.87Å; I509-F519 HydrophobicContact CG1-CE2 4.27Å; I509-V539 HydrophobicContact CD1-CG1 3.72Å; I509-L543 HydrophobicContact CD1-CD1 3.94Å
510	P	83	Confident	80.6	Confident	60 Å²	60	52.9 Å²	52.9	39%	0.39	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-40.1	-164	-31.9	36.4	0	0	0	116.9
511	S	78.2	Confident	80.6	Confident	74 Å²	74	49.1 Å²	49.1	52%	0.517	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-10.9	178.3	-54.2	0	0	0	0	114.3	W482 I509	W482-S511 WeakPolarHBondContact CA-OG 3.48Å; W482-S511 PolarHBondContact O-N 2.91Å; W482-S511 PolarHBondContact O-OG 3.27Å; I509-S511 VanDerWaalsContact C-N 3.35Å; I509-S511 PolarHBondContact O-N 3.38Å; I509-S511 VanDerWaalsContact O-N 3.1Å
512	L	78.2	Confident	80.3	Confident	22 Å²	22	51.1 Å²	51.1	12%	0.115	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-14.4	178	-64.2	-177.9	0	0	0	113.6	W482 I509 A514 A515 C516 L543	W482-L512 HydrophobicContact CD2-CD1 3.79Å; W482-L512 HydrophobicContact CD2-CD2 4.25Å; W482-L512 HydrophobicContact CD2-CG 3.96Å; W482-L512 HydrophobicContact CE3-CD1 3.62Å; W482-L512 HydrophobicContact CE3-CG 4.29Å; W482-L512 HydrophobicContact CG-CD1 4.43Å; W482-L512 HydrophobicContact CG-CD2 4.5Å; W482-L512 HydrophobicContact CG-CG 4.13Å; W482-L512 HydrophobicContact CH2-CD1 4.23Å; W482-L512 HydrophobicContact CZ2-CD1 4.37Å; W482-L512 HydrophobicContact CZ2-CD2 4.37Å; W482-L512 HydrophobicContact CZ3-CD1 3.86Å; I509-L512 HydrophobicContact CB-CB 4.15Å; I509-L512 HydrophobicContact CB-CD1 4.43Å; I509-L512 HydrophobicContact CD1-CD1 4.26Å; I509-L512 HydrophobicContact CG2-CB 4.09Å; I509-L512 HydrophobicContact CG2-CD1 4.03Å; I509-L512 HydrophobicContact CG2-CG 4Å; I509-L512 CarbonylContact O-C 3.48Å; I509-L512 WeakPolarHBondContact O-CA 3.46Å; I509-L512 PolarHBondContact O-N 3.21Å; L512-A514 PolarHBondContact O-N 3.16Å; L512-A515 PolarHBondContact O-N 3.21Å; L512-C516 PolarHBondContact O-N 2.56Å; L512-L543 HydrophobicContact CD1-CD2 3.52Å
513	T	75.5	Confident	79.9	Confident	44 Å²	44	54.8 Å²	54.8	27%	0.27	33%	0.328	S	S	.	.	H	α-helix	trans	-51.2	-34.1	179.5	-45.8	0	0	0	0	112.8	E508 I509 G517	E508-T513 HydrophobicContact CG-CG2 4.17Å; E508-T513 VanDerWaalsContact CG-OG1 3.23Å; E508-T513 WeakPolarHBondContact CG-OG1 3.49Å; E508-T513 PolarHBondContact OE1-OG1 3.01Å; I509-T513 PolarHBondContact O-N 3.45Å; I509-T513 PolarHBondContact O-OG1 3.19Å; I509-T513 VanDerWaalsContact O-OG1 3.08Å; T513-G517 VanDerWaalsContact O-CA 3.24Å; T513-G517 WeakPolarHBondContact O-CA 3.28Å; T513-G517 PolarHBondContact O-N 2.88Å; T513-G517 VanDerWaalsContact O-N 3.13Å
514	A	68.3	Low	79.6	Confident	110 Å²	110	55.7 Å²	55.7	91%	0.909	33%	0.334	S	S	*	.	H	α-helix	trans	-77	-14.8	179	0	0	0	0	0	115	L512	L512-A514 PolarHBondContact O-N 3.16Å
515	A	66.5	Low	79.3	Confident	84 Å²	84	55.8 Å²	55.8	69%	0.694	33%	0.334	S	S	*	.	H	α-helix	trans	-114.2	-37.1	-176.3	0	0	0	0	0	113.1	L512	L512-A515 PolarHBondContact O-N 3.21Å
516	C	67.5	Low	78.9	Confident	69 Å²	69	57.9 Å²	57.9	47%	0.466	35%	0.353	S	S	.	.	H	α-helix	trans	-109.7	-9.3	-178.2	-57.7	0	0	0	0	113.2	L512 F519	L512-C516 PolarHBondContact O-N 2.56Å; C516-F519 HydrophobicContact CB-CE1 4.03Å; C516-F519 HydrophobicContact CB-CE2 4.15Å; C516-F519 HydrophobicContact CB-CZ 3.56Å
517	G	70.9	Confident	78.7	Confident	31 Å²	31	61.1 Å²	61.1	32%	0.32	37%	0.37	S	S	.	.			trans	71.6	-149.1	-173.8	0	0	0	0	0	112.9	T513	T513-G517 VanDerWaalsContact O-CA 3.24Å; T513-G517 WeakPolarHBondContact O-CA 3.28Å; T513-G517 PolarHBondContact O-N 2.88Å; T513-G517 VanDerWaalsContact O-N 3.13Å
518	L	75.7	Confident	78.7	Confident	80 Å²	80	65.6 Å²	65.6	42%	0.419	39%	0.389	S	S	.	.			trans	-92.4	126.1	173.5	-153.1	83.6	0	0	0	108.6	N506 E508 Q520	N506-L518 HydrophobicContact CB-CD2 3.72Å; N506-L518 HydrophobicContact CB-CG 4.32Å; E508-L518 HydrophobicContact CB-CD1 3.8Å; E508-L518 HydrophobicContact CG-CD1 4.26Å; L518-Q520 PolarHBondContact O-N 2.86Å; L518-Q520 VanDerWaalsContact O-N 3.09Å
519	F	79.6	Confident	78.6	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.026	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-74.2	105.9	175.6	-64.4	-84.1	0	0	0	109.4	N506 I507 I509 C516 V539 Q542 L543	N506-F519 CarbonylContact C-O 3.56Å; N506-F519 VanDerWaalsContact CA-O 3.27Å; N506-F519 WeakPolarHBondContact CA-O 3.32Å; I507-F519 HydrophobicContact CB-CB 4.41Å; I507-F519 PolarHBondContact N-O 2.86Å; I507-F519 PolarHBondContact O-N 2.88Å; I509-F519 HydrophobicContact CD1-CD2 4.44Å; I509-F519 HydrophobicContact CD1-CE2 3.87Å; I509-F519 HydrophobicContact CG1-CE2 4.27Å; C516-F519 HydrophobicContact CB-CE1 4.03Å; C516-F519 HydrophobicContact CB-CE2 4.15Å; C516-F519 HydrophobicContact CB-CZ 3.56Å; F519-V539 HydrophobicContact CB-CG2 3.44Å; F519-V539 VanDerWaalsContact CB-CG2 3.44Å; F519-V539 HydrophobicContact CD1-CG1 4.36Å; F519-V539 HydrophobicContact CD1-CG2 4.04Å; F519-V539 HydrophobicContact CD2-CG1 4.09Å; F519-V539 HydrophobicContact CD2-CG2 4.14Å; F519-V539 HydrophobicContact CE1-CG1 4.45Å; F519-V539 HydrophobicContact CE2-CG1 4.19Å; F519-V539 HydrophobicContact CG-CG1 4.19Å; F519-V539 HydrophobicContact CG-CG2 3.62Å; F519-V539 HydrophobicContact CZ-CG1 4.36Å; F519-Q542 HydrophobicContact CD1-CB 4.48Å; F519-Q542 HydrophobicContact CE1-CB 4.11Å; F519-L543 HydrophobicContact CZ-CD2 4.41Å
520	Q	76.9	Confident	78.5	Confident	127 Å²	127	71.3 Å²	71.3	59%	0.593	42%	0.416	S	S	*	.			trans	-91.9	148.4	176.5	-62.8	-171	-107.3	0	0	111	N506 L518	N506-Q520 WeakPolarHBondContact OD1-CA 3.3Å; L518-Q520 PolarHBondContact O-N 2.86Å; L518-Q520 VanDerWaalsContact O-N 3.09Å
521	V	77.1	Confident	78.8	Confident	9 Å²	9	68.5 Å²	68.5	6%	0.055	40%	0.398	C	S	.	.			trans	-135.1	106.1	-174.1	-177.6	0	0	0	0	108.6	Q523 V534 A535 H538	V521-Q523 HydrophobicContact CG1-CB 4.45Å; V521-Q523 PolarHBondContact O-N 3.3Å; V521-V534 HydrophobicContact CG1-CG1 4.19Å; V521-A535 HydrophobicContact CG2-CB 3.95Å; V521-H538 HydrophobicContact CG2-CB 4.23Å
522	D	75.8	Confident	79.4	Confident	158 Å²	158	68.4 Å²	68.4	85%	0.845	39%	0.386	S	S	*	.			trans	-71	-20.3	-174.5	-60.5	-42.5	0	0	0	113.3	M524	D522-M524 PolarHBondContact O-N 2.96Å
523	Q	79.6	Confident	79.9	Confident	120 Å²	120	68.7 Å²	68.7	56%	0.561	39%	0.387	S	S	*	.			trans	-74.8	111.2	177.9	-172.2	175.1	-0.9	0	0	110.8	V521 V525 V534	V521-Q523 HydrophobicContact CG1-CB 4.45Å; V521-Q523 PolarHBondContact O-N 3.3Å; Q523-V525 HydrophobicContact CG-CG1 4.22Å; Q523-V534 HydrophobicContact CB-CG1 4.2Å; Q523-V534 HydrophobicContact CG-CG1 4.29Å
524	M	83.4	Confident	80.5	Confident	58 Å²	58	67.8 Å²	67.8	29%	0.286	38%	0.381	S	S	.	.			trans	-98.3	139	170	-46.4	-166.2	79	0	0	111	L502 Y503 D522	L502-M524 HydrophobicContact CB-CB 3.8Å; Y503-M524 CarbonylContact O-C 3.59Å; Y503-M524 VanDerWaalsContact O-CA 3.3Å; Y503-M524 WeakPolarHBondContact O-CA 3.4Å; D522-M524 PolarHBondContact O-N 2.96Å
525	V	84.8	Confident	81.6	Confident	11 Å²	11	62.5 Å²	62.5	7%	0.067	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-133.9	155.9	-176.5	-68.2	0	0	0	0	111.5	Y503 Q523 D527 E530 A531	Y503-V525 PolarHBondContact N-O 2.77Å; Y503-V525 PolarHBondContact O-N 2.79Å; Q523-V525 HydrophobicContact CG-CG1 4.22Å; V525-D527 PolarHBondContact O-N 2.96Å; V525-E530 HydrophobicContact CB-CG 4.32Å; V525-E530 HydrophobicContact CG2-CB 4.06Å; V525-E530 HydrophobicContact CG2-CG 4Å; V525-A531 HydrophobicContact CG2-CB 3.59Å; V525-A531 VanDerWaalsContact CG2-N 3.26Å
526	P	82.5	Confident	82.7	Confident	82 Å²	82	58.5 Å²	58.5	53%	0.532	31%	0.305	S	S	.	.	S	Bend	trans	-75.6	-18.8	-172.3	29.5	-35.8	0	0	0	114.7	I500 L502 Y503	I500-P526 HydrophobicContact CG2-CB 4.16Å; L502-P526 HydrophobicContact CD2-CB 4.39Å; Y503-P526 WeakPolarHBondContact CD2-O 3.3Å; Y503-P526 WeakPolarHBondContact CE2-O 3.47Å
527	D	85.4	Confident	83.7	Confident	84 Å²	84	58.5 Å²	58.5	45%	0.449	30%	0.298	S	S	.	.	S	Bend	trans	-102.9	146.1	174.6	179.4	58.1	0	0	0	113.6	V525 Q529 E530 A531	V525-D527 PolarHBondContact O-N 2.96Å; D527-Q529 WeakPolarHBondContact OD2-CA 3.38Å; D527-Q529 WeakPolarHBondContact OD2-CB 3.4Å; D527-Q529 PolarHBondContact OD2-N 2.85Å; D527-E530 HydrophobicContact CB-CB 3.97Å; D527-E530 PolarHBondContact OD2-N 2.88Å; D527-A531 WeakPolarHBondContact O-CB 3.4Å; D527-A531 PolarHBondContact O-N 3.31Å
528	K	88.2	Confident	84.5	Confident	94 Å²	94	60.9 Å²	60.9	41%	0.409	30%	0.301	S	S	.	.	H	α-helix	trans	-79.3	-27	-178.7	-71.4	-172	177.5	-172.2	0	114.3	L489 Y503 Y505	L489-K528 HydrophobicContact CD2-CD 4.24Å; Y503-K528 HydrophobicContact CD1-CD 4.46Å; Y503-K528 HydrophobicContact CD1-CG 3.99Å; Y503-K528 HydrophobicContact CD2-CG 3.69Å; Y503-K528 HydrophobicContact CE1-CD 4.3Å; Y503-K528 HydrophobicContact CE1-CG 4.14Å; Y503-K528 HydrophobicContact CE2-CG 3.84Å; Y503-K528 HydrophobicContact CG-CG 3.76Å; Y505-K528 WeakPolarHBondContact CE2-O 3.26Å
529	Q	86.3	Confident	85	Confident	79 Å²	79	57 Å²	57	37%	0.369	28%	0.281	S	S	.	.	H	α-helix	trans	-79.2	-41.8	173.3	-171.7	64.6	33.6	0	0	109.5	D527 A531 R532 E533	D527-Q529 WeakPolarHBondContact OD2-CA 3.38Å; D527-Q529 WeakPolarHBondContact OD2-CB 3.4Å; D527-Q529 PolarHBondContact OD2-N 2.85Å; Q529-A531 VanDerWaalsContact C-N 3.33Å; Q529-A531 PolarHBondContact O-N 3.14Å; Q529-R532 WeakPolarHBondContact O-CA 3.5Å; Q529-R532 WeakPolarHBondContact O-CB 3.07Å; Q529-R532 PolarHBondContact O-N 3.46Å; Q529-E533 PolarHBondContact NE2-OE1 3.49Å; Q529-E533 PolarHBondContact O-N 3.39Å
530	E	85.4	Confident	85.3	Confident	95 Å²	95	56.8 Å²	56.8	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-54.6	-47.1	172.4	-168.9	177.6	-151	0	0	111.7	V525 D527 R532 E533 V534	V525-E530 HydrophobicContact CB-CG 4.32Å; V525-E530 HydrophobicContact CG2-CB 4.06Å; V525-E530 HydrophobicContact CG2-CG 4Å; D527-E530 HydrophobicContact CB-CB 3.97Å; D527-E530 PolarHBondContact OD2-N 2.88Å; E530-R532 PolarHBondContact O-N 3.17Å; E530-R532 VanDerWaalsContact O-N 3.15Å; E530-E533 PolarHBondContact O-N 2.93Å; E530-E533 VanDerWaalsContact O-N 3.13Å; E530-V534 HydrophobicContact CG-CG2 4.46Å; E530-V534 WeakPolarHBondContact O-CG2 3.47Å; E530-V534 PolarHBondContact O-N 3.04Å
531	A	88.6	Confident	85.5	Confident	2 Å²	2	52.7 Å²	52.7	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-30	175.2	0	0	0	0	0	113.3	Y505 V525 D527 Q529 A535	Y505-A531 HydrophobicContact CD2-CB 3.85Å; Y505-A531 HydrophobicContact CE2-CB 4.19Å; V525-A531 HydrophobicContact CG2-CB 3.59Å; V525-A531 VanDerWaalsContact CG2-N 3.26Å; D527-A531 WeakPolarHBondContact O-CB 3.4Å; D527-A531 PolarHBondContact O-N 3.31Å; Q529-A531 VanDerWaalsContact C-N 3.33Å; Q529-A531 PolarHBondContact O-N 3.14Å; A531-A535 VanDerWaalsContact O-CB 3.32Å; A531-A535 WeakPolarHBondContact O-CB 3.37Å; A531-A535 PolarHBondContact O-N 2.96Å
532	R	90.4	Very high	85.7	Confident	71 Å²	71	57.7 Å²	57.7	27%	0.268	29%	0.294	S	S	.	.	H	α-helix	trans	-79.9	-38.5	178.2	-171.9	-179.5	171	-141.9	-12.9	111.8	Y487 Y505 Q529 E530 A536	Y487-R532 HydrophobicContact CD1-CG 3.7Å; Y487-R532 HydrophobicContact CE1-CG 3.58Å; Y505-R532 HydrophobicContact CD2-CB 3.98Å; Y505-R532 HydrophobicContact CE2-CB 3.9Å; Q529-R532 WeakPolarHBondContact O-CA 3.5Å; Q529-R532 WeakPolarHBondContact O-CB 3.07Å; Q529-R532 PolarHBondContact O-N 3.46Å; E530-R532 PolarHBondContact O-N 3.17Å; E530-R532 VanDerWaalsContact O-N 3.15Å; R532-A536 WeakPolarHBondContact O-CB 3.33Å; R532-A536 PolarHBondContact O-N 3.27Å
533	E	89.7	Confident	86	Confident	29 Å²	29	51.6 Å²	51.6	14%	0.136	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-51.4	173.7	-61.7	-45.4	141.5	0	0	111.2	H468 Y469 Q529 E530 A535 A536 Q537	H468-E533 IonicContact CE1-OE1 2.75Å; H468-E533 IonicContact CG-OE1 3.12Å; H468-E533 IonicContact ND1-OE1 2.69Å; H468-E533 PolarHBondContact ND1-OE1 3.44Å; H468-E533 IonicContact ND1-OE2 2.72Å; Y469-E533 HydrophobicContact CD2-CB 4.13Å; Y469-E533 PolarHBondContact N-OE2 2.9Å; Q529-E533 PolarHBondContact NE2-OE1 3.49Å; Q529-E533 PolarHBondContact O-N 3.39Å; E530-E533 PolarHBondContact O-N 2.93Å; E530-E533 VanDerWaalsContact O-N 3.13Å; E533-A535 VanDerWaalsContact C-N 3.29Å; E533-A535 PolarHBondContact O-N 2.94Å; E533-A536 PolarHBondContact O-N 3.11Å; E533-Q537 VanDerWaalsContact O-CB 3.32Å; E533-Q537 WeakPolarHBondContact O-CB 3.14Å; E533-Q537 PolarHBondContact O-N 2.75Å
534	V	87.5	Confident	85.7	Confident	24 Å²	24	49.1 Å²	49.1	15%	0.145	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-43.8	179.5	171.7	0	0	0	0	110.8	V521 Q523 E530 Q537 H538	V521-V534 HydrophobicContact CG1-CG1 4.19Å; Q523-V534 HydrophobicContact CB-CG1 4.2Å; Q523-V534 HydrophobicContact CG-CG1 4.29Å; E530-V534 HydrophobicContact CG-CG2 4.46Å; E530-V534 WeakPolarHBondContact O-CG2 3.47Å; E530-V534 PolarHBondContact O-N 3.04Å; V534-Q537 PolarHBondContact O-N 3.45Å; V534-H538 WeakPolarHBondContact O-CB 3.24Å; V534-H538 PolarHBondContact O-N 3.39Å
535	A	90.8	Very high	85.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-44.3	177.6	0	0	0	0	0	112.9	Y505 I507 V521 A531 E533 Q537 H538 V539	Y505-A535 VanDerWaalsContact O-CB 3.31Å; Y505-A535 WeakPolarHBondContact O-CB 3.49Å; I507-A535 HydrophobicContact CD1-CB 3.86Å; I507-A535 HydrophobicContact CG1-CB 4.23Å; V521-A535 HydrophobicContact CG2-CB 3.95Å; A531-A535 VanDerWaalsContact O-CB 3.32Å; A531-A535 WeakPolarHBondContact O-CB 3.37Å; A531-A535 PolarHBondContact O-N 2.96Å; E533-A535 VanDerWaalsContact C-N 3.29Å; E533-A535 PolarHBondContact O-N 2.94Å; A535-Q537 VanDerWaalsContact C-N 3.33Å; A535-Q537 PolarHBondContact O-N 2.99Å; A535-H538 PolarHBondContact O-N 3.41Å; A535-V539 WeakPolarHBondContact O-CG2 3.49Å; A535-V539 PolarHBondContact O-N 3.2Å; A535-V539 VanDerWaalsContact O-N 3.1Å
536	A	90.6	Very high	83.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-37.2	177.4	0	0	0	0	0	112.2	L473 Y487 I507 R532 E533 V539 L540	L473-A536 HydrophobicContact CB-CB 4.44Å; L473-A536 HydrophobicContact CD2-CB 4.14Å; Y487-A536 HydrophobicContact CE1-CB 4.35Å; I507-A536 HydrophobicContact CD1-CB 4.44Å; R532-A536 WeakPolarHBondContact O-CB 3.33Å; R532-A536 PolarHBondContact O-N 3.27Å; E533-A536 PolarHBondContact O-N 3.11Å; A536-V539 PolarHBondContact O-N 2.91Å; A536-L540 WeakPolarHBondContact O-CB 3.09Å; A536-L540 VanDerWaalsContact O-CG 3.3Å; A536-L540 WeakPolarHBondContact O-CG 2.99Å; A536-L540 PolarHBondContact O-N 3.47Å
537	Q	88.8	Confident	82.3	Confident	68 Å²	68	48.9 Å²	48.9	32%	0.318	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-46.2	173.9	-174	-179.6	-7.5	0	0	111.6	Y469 E533 V534 A535 V539 L540 G541 T547	Y469-Q537 HydrophobicContact CD1-CB 3.88Å; Y469-Q537 HydrophobicContact CD1-CG 4.02Å; Y469-Q537 HydrophobicContact CD2-CB 4.15Å; Y469-Q537 HydrophobicContact CE1-CB 4.04Å; Y469-Q537 HydrophobicContact CE1-CG 3.68Å; Y469-Q537 HydrophobicContact CE2-CB 4.29Å; Y469-Q537 HydrophobicContact CE2-CG 4.35Å; Y469-Q537 HydrophobicContact CG-CB 3.92Å; Y469-Q537 HydrophobicContact CG-CG 4.48Å; E533-Q537 VanDerWaalsContact O-CB 3.32Å; E533-Q537 WeakPolarHBondContact O-CB 3.14Å; E533-Q537 PolarHBondContact O-N 2.75Å; V534-Q537 PolarHBondContact O-N 3.45Å; A535-Q537 VanDerWaalsContact C-N 3.33Å; A535-Q537 PolarHBondContact O-N 2.99Å; Q537-V539 VanDerWaalsContact C-N 3.33Å; Q537-V539 PolarHBondContact O-N 2.99Å; Q537-L540 PolarHBondContact O-N 3.04Å; Q537-G541 PolarHBondContact O-N 2.91Å; Q537-T547 HydrophobicContact CG-CG2 3.94Å
538	H	86.7	Confident	80.2	Confident	81 Å²	81	49 Å²	49	38%	0.375	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-43.3	177.7	-173.1	85.5	0	0	0	111.9	V521 V534 A535 G541 Q542	V521-H538 HydrophobicContact CG2-CB 4.23Å; V534-H538 WeakPolarHBondContact O-CB 3.24Å; V534-H538 PolarHBondContact O-N 3.39Å; A535-H538 PolarHBondContact O-N 3.41Å; H538-G541 PolarHBondContact O-N 2.93Å; H538-Q542 PolarHBondContact NE2-NE2 2.92Å; H538-Q542 PolarHBondContact O-N 3.25Å
539	V	87.3	Confident	77.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.4	-43.7	177.8	176.7	0	0	0	0	112.3	L473 I507 I509 F519 A535 A536 Q537 G541 Q542 L543	L473-V539 HydrophobicContact CD1-CB 4.47Å; L473-V539 HydrophobicContact CD1-CG1 3.82Å; L473-V539 HydrophobicContact CD2-CB 4.02Å; L473-V539 HydrophobicContact CD2-CG1 3.91Å; I507-V539 HydrophobicContact CB-CG2 4.04Å; I507-V539 HydrophobicContact CD1-CG2 3.92Å; I507-V539 HydrophobicContact CG1-CG2 4.39Å; I507-V539 HydrophobicContact CG2-CG2 4.45Å; I509-V539 HydrophobicContact CD1-CG1 3.72Å; F519-V539 HydrophobicContact CB-CG2 3.44Å; F519-V539 VanDerWaalsContact CB-CG2 3.44Å; F519-V539 HydrophobicContact CD1-CG1 4.36Å; F519-V539 HydrophobicContact CD1-CG2 4.04Å; F519-V539 HydrophobicContact CD2-CG1 4.09Å; F519-V539 HydrophobicContact CD2-CG2 4.14Å; F519-V539 HydrophobicContact CE1-CG1 4.45Å; F519-V539 HydrophobicContact CE2-CG1 4.19Å; F519-V539 HydrophobicContact CG-CG1 4.19Å; F519-V539 HydrophobicContact CG-CG2 3.62Å; F519-V539 HydrophobicContact CZ-CG1 4.36Å; A535-V539 WeakPolarHBondContact O-CG2 3.49Å; A535-V539 PolarHBondContact O-N 3.2Å; A535-V539 VanDerWaalsContact O-N 3.1Å; A536-V539 PolarHBondContact O-N 2.91Å; Q537-V539 VanDerWaalsContact C-N 3.33Å; Q537-V539 PolarHBondContact O-N 2.99Å; V539-G541 PolarHBondContact O-N 2.88Å; V539-Q542 PolarHBondContact O-N 3.22Å; V539-Q542 VanDerWaalsContact O-N 3.15Å; V539-L543 HydrophobicContact CG1-CD1 3.8Å; V539-L543 HydrophobicContact CG1-CG 4.23Å; V539-L543 WeakPolarHBondContact O-CB 3.37Å; V539-L543 VanDerWaalsContact O-CG 3.24Å; V539-L543 WeakPolarHBondContact O-CG 3.49Å; V539-L543 PolarHBondContact O-N 3.32Å
540	L	85.8	Confident	75.6	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-56.1	-41.9	173.4	-77.3	168.3	0	0	0	111.5	Y469 I472 L473 A536 Q537 L543 G544 V545 T547	Y469-L540 HydrophobicContact CD1-CD1 4.07Å; I472-L540 HydrophobicContact CB-CD1 4.04Å; I472-L540 HydrophobicContact CG2-CD1 3.81Å; I472-L540 HydrophobicContact CG2-CD2 4.08Å; L473-L540 HydrophobicContact CB-CD1 4.32Å; L473-L540 HydrophobicContact CB-CD2 4.16Å; L473-L540 HydrophobicContact CB-CG 4.08Å; L473-L540 HydrophobicContact CD1-CD2 3.84Å; L473-L540 HydrophobicContact CD1-CG 4.01Å; A536-L540 WeakPolarHBondContact O-CB 3.09Å; A536-L540 VanDerWaalsContact O-CG 3.3Å; A536-L540 WeakPolarHBondContact O-CG 2.99Å; A536-L540 PolarHBondContact O-N 3.47Å; Q537-L540 PolarHBondContact O-N 3.04Å; L540-L543 PolarHBondContact O-N 3.45Å; L540-G544 PolarHBondContact O-N 3.35Å; L540-V545 HydrophobicContact CB-CB 4.19Å; L540-V545 HydrophobicContact CD2-CB 4.01Å; L540-V545 HydrophobicContact CD2-CG1 4.15Å; L540-V545 HydrophobicContact CD2-CG2 3.98Å; L540-V545 WeakPolarHBondContact O-CA 3.5Å; L540-V545 WeakPolarHBondContact O-CB 3.26Å; L540-V545 PolarHBondContact O-N 3.37Å; L540-T547 HydrophobicContact CB-CG2 3.36Å; L540-T547 HydrophobicContact CD1-CG2 4.17Å; L540-T547 HydrophobicContact CG-CG2 4.41Å
541	G	80.9	Confident	73.1	Confident	40 Å²	40	49.7 Å²	49.7	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-46.7	173.4	0	0	0	0	0	113.5	Q537 H538 V539 L543 G544	Q537-G541 PolarHBondContact O-N 2.91Å; H538-G541 PolarHBondContact O-N 2.93Å; V539-G541 PolarHBondContact O-N 2.88Å; G541-L543 VanDerWaalsContact C-N 3.27Å; G541-L543 PolarHBondContact O-N 2.95Å; G541-G544 PolarHBondContact O-N 3.26Å
542	Q	82	Confident	70.5	Confident	115 Å²	115	53.8 Å²	53.8	54%	0.537	33%	0.33	S	S	.	.	H	α-helix	trans	-65.4	-28.5	175.7	-69.8	-158.5	15.3	0	0	113.4	F519 H538 V539 G544	F519-Q542 HydrophobicContact CD1-CB 4.48Å; F519-Q542 HydrophobicContact CE1-CB 4.11Å; H538-Q542 PolarHBondContact NE2-NE2 2.92Å; H538-Q542 PolarHBondContact O-N 3.25Å; V539-Q542 PolarHBondContact O-N 3.22Å; V539-Q542 VanDerWaalsContact O-N 3.15Å; Q542-G544 PolarHBondContact O-N 2.68Å
543	L	81.4	Confident	67.7	Low	30 Å²	30	54.1 Å²	54.1	16%	0.157	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	3	173.6	-65.1	171	0	0	0	113.4	L473 Y476 W482 I509 L512 F519 V539 L540 G541 V545	L473-L543 HydrophobicContact CD1-CD1 3.64Å; Y476-L543 HydrophobicContact CD1-CD1 4.21Å; Y476-L543 HydrophobicContact CE1-CB 4.19Å; Y476-L543 HydrophobicContact CE1-CD1 4.37Å; W482-L543 HydrophobicContact CH2-CD2 4.13Å; W482-L543 HydrophobicContact CZ3-CD1 4.07Å; W482-L543 HydrophobicContact CZ3-CD2 3.78Å; W482-L543 HydrophobicContact CZ3-CG 4.44Å; I509-L543 HydrophobicContact CD1-CD1 3.94Å; L512-L543 HydrophobicContact CD1-CD2 3.52Å; F519-L543 HydrophobicContact CZ-CD2 4.41Å; V539-L543 HydrophobicContact CG1-CD1 3.8Å; V539-L543 HydrophobicContact CG1-CG 4.23Å; V539-L543 WeakPolarHBondContact O-CB 3.37Å; V539-L543 VanDerWaalsContact O-CG 3.24Å; V539-L543 WeakPolarHBondContact O-CG 3.49Å; V539-L543 PolarHBondContact O-N 3.32Å; L540-L543 PolarHBondContact O-N 3.45Å; G541-L543 VanDerWaalsContact C-N 3.27Å; G541-L543 PolarHBondContact O-N 2.95Å; L543-V545 VanDerWaalsContact C-N 3.27Å; L543-V545 HydrophobicContact CB-CG2 4.43Å; L543-V545 PolarHBondContact O-N 3.01Å
544	G	74.1	Confident	64.9	Low	68 Å²	68	59.2 Å²	59.2	70%	0.701	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	10.2	-178.8	0	0	0	0	0	114.4	L540 G541 Q542	L540-G544 PolarHBondContact O-N 3.35Å; G541-G544 PolarHBondContact O-N 3.26Å; Q542-G544 PolarHBondContact O-N 2.68Å
545	V	69.8	Low	62.1	Low	28 Å²	28	60.2 Å²	60.2	17%	0.17	36%	0.363	C	S	.	.			trans	-80.3	119.5	172.8	-173.8	0	0	0	0	108.4	Y476 L540 L543 T547	Y476-V545 HydrophobicContact CD1-CG2 3.91Å; Y476-V545 HydrophobicContact CD2-CG2 3.9Å; Y476-V545 HydrophobicContact CE1-CG2 3.58Å; Y476-V545 HydrophobicContact CE2-CG2 3.57Å; Y476-V545 HydrophobicContact CG-CG2 4.06Å; L540-V545 HydrophobicContact CB-CB 4.19Å; L540-V545 HydrophobicContact CD2-CB 4.01Å; L540-V545 HydrophobicContact CD2-CG1 4.15Å; L540-V545 HydrophobicContact CD2-CG2 3.98Å; L540-V545 WeakPolarHBondContact O-CA 3.5Å; L540-V545 WeakPolarHBondContact O-CB 3.26Å; L540-V545 PolarHBondContact O-N 3.37Å; L543-V545 VanDerWaalsContact C-N 3.27Å; L543-V545 HydrophobicContact CB-CG2 4.43Å; L543-V545 PolarHBondContact O-N 3.01Å; V545-T547 PolarHBondContact O-N 3.44Å
546	A	54.6	Low	59.2	Low	92 Å²	92	65 Å²	65	76%	0.76	39%	0.392	S	S	*	.			trans	-66.5	94.4	178.4	0	0	0	0	0	111.1	A548	A546-A548 PolarHBondContact O-N 3.42Å
547	T	53.9	Low	56.3	Low	26 Å²	26	70.2 Å²	70.2	16%	0.16	42%	0.424	C	S	.	.			trans	-75	-13.3	176	54.2	0	0	0	0	113.8	Y469 Q537 L540 V545 D549 V550	Y469-T547 HydrophobicContact CD1-CG2 4.34Å; Y469-T547 HydrophobicContact CE1-CG2 4.2Å; Q537-T547 HydrophobicContact CG-CG2 3.94Å; L540-T547 HydrophobicContact CB-CG2 3.36Å; L540-T547 HydrophobicContact CD1-CG2 4.17Å; L540-T547 HydrophobicContact CG-CG2 4.41Å; V545-T547 PolarHBondContact O-N 3.44Å; T547-D549 PolarHBondContact O-N 2.77Å; T547-V550 PolarHBondContact O-N 3.1Å
548	A	40.7	Very low	53.4	Low	86 Å²	86	70.9 Å²	70.9	71%	0.711	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	70.2	179	0	0	0	0	0	111.2	A546	A546-A548 PolarHBondContact O-N 3.42Å
549	D	38.2	Very low	50.5	Low	98 Å²	98	74.8 Å²	74.8	52%	0.524	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-172.1	-14.6	160.9	-99.7	-24.9	0	0	0	112.7	T547 N551 V552 I553	T547-D549 PolarHBondContact O-N 2.77Å; D549-N551 PolarHBondContact O-N 2.7Å; D549-V552 CarbonylContact O-C 3.56Å; D549-V552 WeakPolarHBondContact O-CA 3.43Å; D549-V552 PolarHBondContact O-N 2.66Å; D549-I553 HydrophobicContact CB-CD1 3.89Å; D549-I553 HydrophobicContact CB-CG1 4.02Å; D549-I553 WeakPolarHBondContact O-CG1 3.46Å; D549-I553 PolarHBondContact O-N 2.67Å
550	V	39.7	Very low	47.8	Very low	38 Å²	38	78.8 Å²	78.8	23%	0.23	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.8	-169.3	-175.9	0	0	0	0	114.7	Y469 I472 T547 V552	Y469-V550 HydrophobicContact CD1-CB 4.48Å; Y469-V550 HydrophobicContact CD1-CG1 4.47Å; Y469-V550 HydrophobicContact CD1-CG2 4.21Å; Y469-V550 HydrophobicContact CE1-CB 3.63Å; Y469-V550 HydrophobicContact CE1-CG1 4Å; Y469-V550 HydrophobicContact CE1-CG2 3.56Å; Y469-V550 HydrophobicContact CE2-CG1 4.43Å; I472-V550 HydrophobicContact CD1-CG1 4.3Å; I472-V550 HydrophobicContact CD1-CG2 4.15Å; T547-V550 PolarHBondContact O-N 3.1Å; V550-V552 VanDerWaalsContact C-N 3.33Å
551	N	33	Very low	45	Very low	146 Å²	146	84.9 Å²	84.9	78%	0.781	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	1.2	171.8	-74.2	-18.7	0	0	0	114.4	D549	D549-N551 PolarHBondContact O-N 2.7Å
552	V	34	Very low	42.5	Very low	88 Å²	88	89 Å²	89	53%	0.533	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-15.3	-177.4	-174.4	0	0	0	0	112.2	D549 V550 E554	D549-V552 CarbonylContact O-C 3.56Å; D549-V552 WeakPolarHBondContact O-CA 3.43Å; D549-V552 PolarHBondContact O-N 2.66Å; V550-V552 VanDerWaalsContact C-N 3.33Å; V552-E554 PolarHBondContact O-N 3.48Å
553	I	31.4	Very low	39.8	Very low	79 Å²	79	89.7 Å²	89.7	41%	0.405	55%	0.55	S	S	.	*			trans	-70.1	72.5	174.6	-61.3	166.5	0	0	0	111	D549 E555	D549-I553 HydrophobicContact CB-CD1 3.89Å; D549-I553 HydrophobicContact CB-CG1 4.02Å; D549-I553 WeakPolarHBondContact O-CG1 3.46Å; D549-I553 PolarHBondContact O-N 2.67Å; I553-E555 WeakPolarHBondContact CG2-O 3.47Å
554	E	31.3	Very low	37.1	Very low	135 Å²	135	93.6 Å²	93.6	63%	0.631	58%	0.575	S	S	*	*	S	Bend		-83.1	129.4	122.8	-68.1	-165.7	153.3	0	0	106.3	V552	V552-E554 PolarHBondContact O-N 3.48Å
555	E	29.5	Very low	34.9	Very low	46 Å²	46	95.2 Å²	95.2	22%	0.215	57%	0.573	C	S	.	*	S	Bend	trans	80.4	158.5	177.9	-47.7	163.3	-163.6	0	0	116.8	P413 C414 I415 I553	P413-E555 VanDerWaalsContact C-OE1 3.29Å; P413-E555 VanDerWaalsContact C-OE2 3.26Å; P413-E555 WeakPolarHBondContact CB-OE1 3.28Å; P413-E555 HydrophobicContact CG-CG 3.8Å; P413-E555 VanDerWaalsContact CG-OE1 3.26Å; P413-E555 WeakPolarHBondContact CG-OE1 3.14Å; C414-E555 PolarHBondContact N-OE1 3.32Å; C414-E555 PolarHBondContact N-OE2 2.91Å; I415-E555 HydrophobicContact CG1-CB 4.46Å; I415-E555 WeakPolarHBondContact CG1-OE2 3.5Å; I415-E555 PolarHBondContact N-OE2 3.24Å; I553-E555 WeakPolarHBondContact CG2-O 3.47Å
556	V	29.4	Very low	33	Very low	100 Å²	100	100 Å²	100	61%	0.606	60%	0.603	S	S	*	*			trans	68.8	62.4	172.4	-156.2	0	0	0	0	118.2
557	T	30.2	Very low	31.7	Very low	110 Å²	110	101.3 Å²	101.3	68%	0.675	60%	0.601	S	S	*	*			trans	-134	68.3	156.6	44.3	0	0	0	0	114.1
558	T	28.5	Very low	30.4	Very low	82 Å²	82	107.1 Å²	107.1	50%	0.503	63%	0.631	S	S	.	*	S	Bend	trans	-135.8	125.6	146.7	50.5	0	0	0	0	108.5
559	N	25.7	Very low	29.8	Very low	162 Å²	162	110.8 Å²	110.8	87%	0.866	64%	0.637	S	S	*	*	S	Bend	trans	76.5	61.3	172.7	-45.3	-11.6	0	0	0	116.6
560	A	30.2	Very low	29.3	Very low	84 Å²	84	117.2 Å²	117.2	69%	0.694	65%	0.654	S	S	*	*			trans	-151.6	25.3	167.9	0	0	0	0	0	116.4	T562	A560-T562 PolarHBondContact O-N 3.31Å
561	L	26.5	Very low	28.9	Very low	130 Å²	130	120.4 Å²	120.4	68%	0.681	68%	0.678	S	S	*	*			trans	-88.3	78.8	168.2	-75	177.9	0	0	0	110.5	V563	L561-V563 PolarHBondContact O-N 2.85Å; L561-V563 VanDerWaalsContact O-N 3.15Å
562	T	28.2	Very low	28.9	Very low	125 Å²	125	118.7 Å²	118.7	77%	0.767	68%	0.675	S	S	*	*			trans	-74.9	97.4	170.3	46.8	0	0	0	0	110.1	A560 V564	A560-T562 PolarHBondContact O-N 3.31Å; T562-V564 PolarHBondContact O-N 3.29Å
563	V	25.7	Very low	28.8	Very low	130 Å²	130	120.5 Å²	120.5	79%	0.788	69%	0.692	S	S	*	*			trans	-64.8	116.4	172.6	178.9	0	0	0	0	109.5	L561	L561-V563 PolarHBondContact O-N 2.85Å; L561-V563 VanDerWaalsContact O-N 3.15Å
564	V	25.3	Very low	28.9	Very low	113 Å²	113	120.6 Å²	120.6	69%	0.685	71%	0.712	S	S	*	*			trans	-96.5	115.2	168.2	-178.2	0	0	0	0	107.8	T562 V566	T562-V564 PolarHBondContact O-N 3.29Å; V564-V566 PolarHBondContact O-N 2.89Å; V564-V566 VanDerWaalsContact O-N 3.14Å
565	P	26.9	Very low	28.9	Very low	101 Å²	101	121.9 Å²	121.9	66%	0.656	72%	0.723	S	S	*	*			trans	-73.3	106.6	178.7	28.5	-33	0	0	0	110.4	T567	P565-T567 PolarHBondContact O-N 3.36Å
566	V	29.6	Very low	29.3	Very low	130 Å²	130	125.5 Å²	125.5	79%	0.788	75%	0.754	S	S	*	*			trans	-78.1	85.3	177.2	-176.2	0	0	0	0	110.2	V564	V564-V566 PolarHBondContact O-N 2.89Å; V564-V566 VanDerWaalsContact O-N 3.14Å
567	T	27.6	Very low	29.4	Very low	118 Å²	118	123.9 Å²	123.9	72%	0.724	76%	0.757	S	S	*	*			trans	-101.9	82.8	170.5	56.7	0	0	0	0	111	P565	P565-T567 PolarHBondContact O-N 3.36Å
568	N	27.3	Very low	29.5	Very low	149 Å²	149	126.5 Å²	126.5	80%	0.797	77%	0.765	S	S	*	*			trans	178	100.8	147.5	-94	-34.4	0	0	0	111.4
569	I	27.7	Very low	29.6	Very low	162 Å²	162	127.6 Å²	127.6	83%	0.831	78%	0.776	S	S	*	*			trans	-113	117.8	151.8	-61.3	177.8	0	0	0	105.8
570	R	27.4	Very low	29.9	Very low	234 Å²	234	124.7 Å²	124.7	88%	0.883	78%	0.775	S	S	*	*			trans	-135.9	86.7	178.4	-169.3	-177.5	-175.8	-166.6	0.9	111.2
571	S	31	Very low	30	Very low	104 Å²	104	124.2 Å²	124.2	73%	0.727	78%	0.778	S	S	*	*			trans	-69.2	147.3	164	-53.2	0	0	0	0	110.6
572	P	32.9	Very low	30.4	Very low	111 Å²	111	122.8 Å²	122.8	72%	0.721	78%	0.779	S	S	*	*			trans	-90.5	153.5	-173.6	34.5	-35.8	0	0	0	114.8
573	S	33.2	Very low	30.8	Very low	126 Å²	126	124.1 Å²	124.1	88%	0.881	78%	0.782	S	S	*	*			trans	56.4	122.6	154.6	54.8	0	0	0	0	120.7
574	G	32.9	Very low	31.2	Very low	81 Å²	81	123 Å²	123	84%	0.835	78%	0.779	S	S	*	*			trans	176.4	121.4	165.9	0	0	0	0	0	110.5
575	D	31.9	Very low	31.6	Very low	162 Å²	162	122.3 Å²	122.3	87%	0.866	78%	0.78	S	S	*	*			trans	-86.3	155.2	-163.3	-109.8	-51.3	0	0	0	116.1
576	S	36.7	Very low	31.9	Very low	122 Å²	122	123.8 Å²	123.8	85%	0.853	79%	0.787	S	S	*	*			trans	63.9	149	164.3	73.7	0	0	0	0	118.8
577	G	32.1	Very low	32	Very low	66 Å²	66	126.2 Å²	126.2	68%	0.68	79%	0.787	S	S	*	*			cis	171.8	170.7	-8.7	0	0	0	0	0	113.1
578	I	31.9	Very low	32.1	Very low	164 Å²	164	126.5 Å²	126.5	84%	0.841	79%	0.788	S	S	*	*			trans	75.6	89.7	160.8	-51.9	177.2	0	0	0	118.9
579	S	31.6	Very low	32.1	Very low	105 Å²	105	124.2 Å²	124.2	73%	0.734	79%	0.79	S	S	*	*				59.1	125.8	129	80.7	0	0	0	0	125.5
580	A	32.4	Very low	32.1	Very low	101 Å²	101	121.2 Å²	121.2	84%	0.835	78%	0.78	S	S	*	*				88.7	110.2	121.1	0	0	0	0	0	123.3
581	G	31.9	Very low	32	Very low	75 Å²	75	121.4 Å²	121.4	77%	0.773	78%	0.782	S	S	*	*			trans	97.3	155.2	139.8	0	0	0	0	0	117.7
582	S	35	Very low	31.8	Very low	99 Å²	99	122.9 Å²	122.9	69%	0.692	78%	0.777	S	S	*	*			cis	-172	154.8	-18	52.2	0	0	0	0	110.9
583	N	35.2	Very low	31.6	Very low	154 Å²	154	124.5 Å²	124.5	82%	0.824	79%	0.785	S	S	*	*			trans	69.8	152.7	166.4	-49.5	-36.4	0	0	0	116.2
584	S	35.6	Very low	31.4	Very low	105 Å²	105	125.4 Å²	125.4	73%	0.734	78%	0.775	S	S	*	*			cis	-159	133.1	-12.5	41.3	0	0	0	0	107.1
585	S	32.7	Very low	31.4	Very low	100 Å²	100	127.1 Å²	127.1	70%	0.699	77%	0.772	S	S	*	*				79.5	107.5	52.4	-165.4	0	0	0	0	115.3
586	T	32.6	Very low	31.4	Very low	131 Å²	131	128.5 Å²	128.5	80%	0.804	77%	0.773	S	S	*	*			trans	-169.7	95.6	150.6	-71.6	0	0	0	0	105.5
587	K	33.4	Very low	31.3	Very low	181 Å²	181	128.6 Å²	128.6	79%	0.787	77%	0.77	S	S	*	*				60.2	139.2	85.5	-71.1	-170.3	176.6	-176	0	114.2
588	V	27.7	Very low	31.4	Very low	124 Å²	124	131.3 Å²	131.3	75%	0.752	78%	0.778	S	S	*	*			cis	160.9	135.7	-21.2	137.4	0	0	0	0	104.6
589	A	29.1	Very low	31.3	Very low	101 Å²	101	129.1 Å²	129.1	84%	0.835	78%	0.778	S	S	*	*			trans	-153.7	92.3	161	0	0	0	0	0	108.8
590	T	26.4	Very low	31.3	Very low	100 Å²	100	131.2 Å²	131.2	61%	0.613	79%	0.786	S	S	*	*			trans	-105.5	136.2	-179.8	-48.7	0	0	0	0	109.6	E592	T590-E592 HydrophobicContact CG2-CB 4.3Å
591	Y	26.8	Very low	31.3	Very low	237 Å²	237	131.4 Å²	131.4	93%	0.929	78%	0.781	S	S	*	*			trans	-119.2	115.5	156.5	-77.2	-78.7	0	0	0	108.2
592	E	25.8	Very low	30.9	Very low	135 Å²	135	134.9 Å²	134.9	63%	0.631	78%	0.781	S	S	*	*			trans	-116.8	135.1	-179.6	-176	-174.5	146.9	0	0	108	T590 Q594	T590-E592 HydrophobicContact CG2-CB 4.3Å; E592-Q594 HydrophobicContact CG-CG 4.29Å; E592-Q594 VanDerWaalsContact OE1-CG 3.29Å; E592-Q594 WeakPolarHBondContact OE1-CG 3.11Å; E592-Q594 PolarHBondContact OE1-NE2 3.27Å
593	V	29	Very low	30.7	Very low	145 Å²	145	136 Å²	136	88%	0.879	79%	0.786	S	S	*	*			trans	-122.6	114.1	170.7	178.9	0	0	0	0	106.9
594	Q	29.1	Very low	30.3	Very low	145 Å²	145	134 Å²	134	68%	0.678	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.2	149.8	-171.7	-68	-171	-21.1	0	0	112.8	E592	E592-Q594 HydrophobicContact CG-CG 4.29Å; E592-Q594 VanDerWaalsContact OE1-CG 3.29Å; E592-Q594 WeakPolarHBondContact OE1-CG 3.11Å; E592-Q594 PolarHBondContact OE1-NE2 3.27Å
595	P	33.2	Very low	30	Very low	118 Å²	118	133.2 Å²	133.2	77%	0.766	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-83.7	143.3	173	33.9	-33.6	0	0	0	111.9
596	H	31.9	Very low	29.9	Very low	191 Å²	191	136.4 Å²	136.4	88%	0.884	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-103.6	127.6	165.4	-78.4	-63.8	0	0	0	110.7
597	P	32.8	Very low	29.4	Very low	124 Å²	124	140.5 Å²	140.5	81%	0.805	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-91.3	140	171.7	34.5	-31.6	0	0	0	111.7
598	S	35.1	Very low	29.3	Very low	122 Å²	122	136.7 Å²	136.7	85%	0.853	79%	0.788	S	S	*	*			trans	-148.3	135.8	165.6	56.3	0	0	0	0	110.8
599	S	30.4	Very low	29.2	Very low	118 Å²	118	135.3 Å²	135.3	83%	0.825	79%	0.785	S	S	*	*			trans	-90.8	139.8	-165.3	53.7	0	0	0	0	114.9
600	V	31.4	Very low	29.2	Very low	149 Å²	149	139.1 Å²	139.1	90%	0.903	78%	0.782	S	S	*	*			trans	-134.7	151.8	153.6	-176.3	0	0	0	0	108.5
601	S	31.4	Very low	29.3	Very low	105 Å²	105	141 Å²	141	73%	0.734	79%	0.789	S	S	*	*			trans	-96.8	155	-161.5	54	0	0	0	0	116.6
602	L	24.7	Very low	29.1	Very low	149 Å²	149	139.9 Å²	139.9	78%	0.78	78%	0.784	S	S	*	*			trans	-3.8	155.2	140.3	-71.7	171	0	0	0	118.9
603	P	30.5	Very low	29.2	Very low	123 Å²	123	145.2 Å²	145.2	80%	0.799	80%	0.799	S	S	*	*			cis	-141.5	-179.9	34.9	42.3	-23.5	0	0	0	118.7
604	S	25.5	Very low	28.9	Very low	110 Å²	110	146.7 Å²	146.7	77%	0.769	80%	0.801	S	S	*	*			trans	-69.1	147.6	-179.1	-39.2	0	0	0	0	115.4
605	A	30.9	Very low	28.8	Very low	90 Å²	90	144.6 Å²	144.6	74%	0.744	81%	0.809	S	S	*	*			trans	-149.4	110.2	155.7	0	0	0	0	0	112.8
606	L	29.5	Very low	28.4	Very low	167 Å²	167	144 Å²	144	87%	0.874	81%	0.814	S	S	*	*				58.5	120.7	127	-62.7	166.3	0	0	0	122
607	Y	23.6	Very low	28.2	Very low	216 Å²	216	138.6 Å²	138.6	85%	0.847	81%	0.809	S	S	*	*			trans	-60.7	155.3	149.1	-83.9	-103.2	0	0	0	111.3
608	P	30.9	Very low	27.9	Very low	101 Å²	101	142.5 Å²	142.5	66%	0.656	81%	0.809	S	S	*	*			trans	-128.9	121.6	141.1	34.1	-23.1	0	0	0	112.9	F610	P608-F610 HydrophobicContact CB-CD2 4.13Å; P608-F610 HydrophobicContact CB-CE2 3.98Å
609	S	24.6	Very low	27.6	Very low	96 Å²	96	143.8 Å²	143.8	67%	0.671	80%	0.802	S	S	*	*			trans	-82	121.1	167.2	-50.8	0	0	0	0	110.5	N611	S609-N611 PolarHBondContact O-ND2 2.96Å
610	F	30	Very low	27.4	Very low	180 Å²	180	144.1 Å²	144.1	79%	0.789	79%	0.794	S	S	*	*			trans	-134.2	107.4	164.4	-75.8	-84.3	0	0	0	108.8	P608	P608-F610 HydrophobicContact CB-CD2 4.13Å; P608-F610 HydrophobicContact CB-CE2 3.98Å
611	N	28	Very low	27.4	Very low	140 Å²	140	147.2 Å²	147.2	75%	0.749	79%	0.791	S	S	*	*				71	112.2	71.5	-77	-54.8	0	0	0	113.3	S609	S609-N611 PolarHBondContact O-ND2 2.96Å
612	Y	23.3	Very low	27.4	Very low	213 Å²	213	149.6 Å²	149.6	84%	0.835	80%	0.795	S	S	*	*			trans	-58.5	143.4	167.8	-84.6	-108.1	0	0	0	111.5
613	R	26.5	Very low	27.7	Very low	247 Å²	247	148.5 Å²	148.5	93%	0.932	79%	0.794	S	S	*	*			trans	-147.4	120	149.4	-109.9	179.6	-172.5	174.9	3.1	111.1
614	L	22.6	Very low	28.2	Very low	176 Å²	176	147.6 Å²	147.6	92%	0.921	79%	0.788	S	S	*	*			trans	-73.1	136.4	161.3	-83	155.3	0	0	0	109.3
615	A	27.5	Very low	28.6	Very low	102 Å²	102	149 Å²	149	84%	0.843	79%	0.787	S	S	*	*			trans	-150.7	128.6	162.3	0	0	0	0	0	108.6
616	A	24.5	Very low	28.9	Very low	106 Å²	106	150.7 Å²	150.7	88%	0.876	79%	0.788	S	S	*	*			trans	-95.8	148.7	173.8	0	0	0	0	0	110.1
617	G	28.4	Very low	29.3	Very low	76 Å²	76	146.1 Å²	146.1	78%	0.784	78%	0.782	S	S	*	*			trans	-164.3	107.9	-176.7	0	0	0	0	0	112.4
618	Y	26.3	Very low	29.7	Very low	206 Å²	206	141.8 Å²	141.8	81%	0.808	78%	0.778	S	S	*	*			trans	-64.3	155.6	-170.5	-93.3	-124.7	0	0	0	117.3
619	E	28.8	Very low	29.8	Very low	150 Å²	150	143 Å²	143	70%	0.701	78%	0.783	S	S	*	*			trans	86.9	117.2	139.3	-75.7	176.7	-174.7	0	0	124.9
620	N	27.1	Very low	30.1	Very low	125 Å²	125	143.5 Å²	143.5	67%	0.668	78%	0.782	S	S	*	*				54.5	130.2	123.5	-58	-19.2	0	0	0	122.2
621	Y	31.1	Very low	30.2	Very low	214 Å²	214	143.1 Å²	143.1	84%	0.839	78%	0.783	S	S	*	*				-172.4	139.5	101.2	-103.3	-66	0	0	0	115.1
622	L	30.5	Very low	30.5	Very low	154 Å²	154	140.8 Å²	140.8	81%	0.806	78%	0.776	S	S	*	*			trans	67.6	131.4	150.8	-80.4	152.6	0	0	0	124.2
623	V	32.3	Very low	30.7	Very low	126 Å²	126	138.1 Å²	138.1	76%	0.764	78%	0.775	S	S	*	*			trans	-111.3	-161	157.5	-138.1	0	0	0	0	107.3
624	P	39.6	Very low	30.9	Very low	104 Å²	104	134.4 Å²	134.4	68%	0.675	77%	0.773	S	S	*	*			cis	-121.3	-135.6	21	30.9	-4	0	0	0	111.7
625	D	35.4	Very low	31.2	Very low	140 Å²	140	131.3 Å²	131.3	75%	0.749	76%	0.761	S	S	*	*			cis	-168.9	159.1	5.2	-136.6	15	0	0	0	107.2
626	V	36.2	Very low	31.5	Very low	125 Å²	125	134.4 Å²	134.4	76%	0.758	76%	0.757	S	S	*	*			cis	-159.2	170.6	-17.9	88.9	0	0	0	0	108.5
627	G	37.5	Very low	31.8	Very low	72 Å²	72	136.1 Å²	136.1	74%	0.742	75%	0.752	S	S	*	*			trans	172.8	95.3	168	0	0	0	0	0	116.9
628	T	32.7	Very low	32.1	Very low	124 Å²	124	138.4 Å²	138.4	76%	0.761	75%	0.75	S	S	*	*			trans	-77	161.5	179.5	45.7	0	0	0	0	112.9
629	T	34.1	Very low	32.6	Very low	126 Å²	126	134.6 Å²	134.6	77%	0.773	75%	0.751	S	S	*	*				-166.3	141.8	59.4	-50.6	0	0	0	0	116
630	V	29.8	Very low	32.7	Very low	108 Å²	108	137.6 Å²	137.6	66%	0.655	76%	0.762	S	S	*	*			trans	-52.7	154.5	170.9	-138.9	0	0	0	0	115
631	Q	33.2	Very low	33.1	Very low	171 Å²	171	134.7 Å²	134.7	80%	0.799	76%	0.761	S	S	*	*				-178.4	165	92.8	-87	-68.1	-44.3	0	0	112
632	P	32.7	Very low	33.2	Very low	92 Å²	92	131 Å²	131	60%	0.597	76%	0.761	S	S	*	*			trans	-130.4	-176.3	-161	46.2	-32.8	0	0	0	118.1
633	L	27.3	Very low	33.4	Very low	156 Å²	156	128.4 Å²	128.4	82%	0.817	76%	0.762	S	S	*	*			trans	56.6	122.1	150.2	-76.2	165.2	0	0	0	121.9
634	L	32.2	Very low	33.4	Very low	170 Å²	170	126.3 Å²	126.3	89%	0.89	76%	0.758	S	S	*	*				-157.3	162.4	129.6	-140.9	75.9	0	0	0	113
635	V	27.4	Very low	33.3	Very low	111 Å²	111	127.1 Å²	127.1	67%	0.673	77%	0.766	S	S	*	*			trans	-114.3	151.4	178.2	173.3	0	0	0	0	109
636	H	34.9	Very low	33.2	Very low	167 Å²	167	124.4 Å²	124.4	77%	0.773	76%	0.763	S	S	*	*			trans	-172.2	119.6	141.1	-107.4	60.1	0	0	0	115.6
637	N	30.6	Very low	33.3	Very low	141 Å²	141	126.4 Å²	126.4	75%	0.754	77%	0.769	S	S	*	*			trans	37.3	150.4	140.5	-67	-22.3	0	0	0	126.1
638	V	34.1	Very low	33.2	Very low	125 Å²	125	128.3 Å²	128.3	76%	0.758	77%	0.768	S	S	*	*			trans	-78.7	170.3	176.3	-140.7	0	0	0	0	113
639	P	37.5	Very low	33.1	Very low	126 Å²	126	126.6 Å²	126.6	82%	0.818	77%	0.766	S	S	*	*				-137.1	172.7	118.7	39.1	-29.2	0	0	0	116.1
640	F	29.7	Very low	33.1	Very low	213 Å²	213	127.1 Å²	127.1	93%	0.934	77%	0.77	S	S	*	*			trans	-87.4	161.8	-169.3	-114.3	-113.2	0	0	0	115.6
641	G	36.3	Very low	33.1	Very low	63 Å²	63	126.1 Å²	126.1	65%	0.649	77%	0.773	S	S	*	*			trans	124.8	150.3	142.2	0	0	0	0	0	117.2
642	T	32.2	Very low	33	Very low	138 Å²	138	130.2 Å²	130.2	85%	0.847	78%	0.781	S	S	*	*			cis	-170.8	157.5	-20.1	-7.5	0	0	0	0	109.2
643	A	35.4	Very low	32.8	Very low	98 Å²	98	133.9 Å²	133.9	81%	0.81	79%	0.792	S	S	*	*			trans	67.9	151.8	161.3	0	0	0	0	0	118.8
644	A	33.3	Very low	33.1	Very low	83 Å²	83	131.1 Å²	131.1	69%	0.686	78%	0.784	S	S	*	*			cis	-166.6	162	-22.5	0	0	0	0	0	111.9
645	S	36.3	Very low	32.9	Very low	120 Å²	120	127.6 Å²	127.6	84%	0.839	77%	0.773	S	S	*	*			trans	70.6	155.9	158.8	78.2	0	0	0	0	119.1
646	A	33.1	Very low	33	Very low	84 Å²	84	133.2 Å²	133.2	69%	0.694	78%	0.784	S	S	*	*			cis	-169.8	149.2	-33.2	0	0	0	0	0	110.6
647	L	38.3	Very low	32.6	Very low	167 Å²	167	131.6 Å²	131.6	87%	0.874	79%	0.785	S	S	*	*			trans	145	150	133.5	-75.5	175.2	0	0	0	112.7
648	P	35.4	Very low	32.5	Very low	112 Å²	112	127.9 Å²	127.9	73%	0.727	78%	0.78	S	S	*	*			trans	-135.5	171.3	-152.1	41.7	-23.2	0	0	0	117.8
649	A	31.3	Very low	32.2	Very low	88 Å²	88	128.2 Å²	128.2	73%	0.727	78%	0.782	S	S	*	*			trans	51.5	115.8	142.2	0	0	0	0	0	122.1
650	T	34.9	Very low	31.6	Very low	137 Å²	137	131.9 Å²	131.9	84%	0.84	78%	0.781	S	S	*	*				-174.5	117.1	120.7	18.6	0	0	0	0	107.4
651	A	29.1	Very low	31.6	Very low	87 Å²	87	129.5 Å²	129.5	72%	0.719	78%	0.778	S	S	*	*			cis	77.1	87.3	41.9	0	0	0	0	0	114.3
652	W	31.8	Very low	31.3	Very low	256 Å²	256	130 Å²	130	97%	0.97	77%	0.77	S	S	*	*			trans	-148	138.3	152	-90.9	91.5	0	0	0	110.5
653	M	26.6	Very low	31.1	Very low	170 Å²	170	130.1 Å²	130.1	84%	0.837	76%	0.764	S	S	*	*			trans	-150.6	178.4	176.6	-127.6	-164.1	170.7	0	0	104.9
654	P	35.2	Very low	30.9	Very low	98 Å²	98	136.9 Å²	136.9	64%	0.636	77%	0.77	S	S	*	*			cis	-135.1	-173.6	-2.4	36.1	-14.4	0	0	0	114.6
655	S	26.5	Very low	30.5	Very low	95 Å²	95	137 Å²	137	66%	0.664	77%	0.771	S	S	*	*			trans	29.2	131.1	145	63.9	0	0	0	0	121.7
656	Y	30.8	Very low	30.3	Very low	230 Å²	230	136 Å²	136	90%	0.902	77%	0.771	S	S	*	*			trans	-139.1	152.8	134.1	-135.4	-93.8	0	0	0	111.7
657	V	26.5	Very low	30.2	Very low	133 Å²	133	140.9 Å²	140.9	81%	0.806	78%	0.779	S	S	*	*			trans	-113.9	141.7	-177.4	174	0	0	0	0	108.5
658	G	27.7	Very low	29.7	Very low	63 Å²	63	139.1 Å²	139.1	65%	0.649	78%	0.775	S	S	*	*			trans	176.8	108.4	168.6	0	0	0	0	0	118.9
659	V	28.1	Very low	29.6	Very low	132 Å²	132	139.7 Å²	139.7	80%	0.8	78%	0.779	S	S	*	*				61.5	116	127.2	-175.9	0	0	0	0	120
660	Y	25.4	Very low	29.5	Very low	202 Å²	202	141.2 Å²	141.2	79%	0.792	78%	0.779	S	S	*	*			trans	20	135.3	139.5	-73.1	-106.4	0	0	0	120.3	P662	Y660-P662 HydrophobicContact CD1-CG 4.32Å
661	N	29.2	Very low	29.3	Very low	163 Å²	163	140 Å²	140	87%	0.872	78%	0.775	S	S	*	*				-146.3	116.5	123.8	-146.5	3.4	0	0	0	111.9
662	P	30.7	Very low	29.5	Very low	73 Å²	73	145.7 Å²	145.7	47%	0.474	78%	0.784	S	S	.	*			trans	-101.6	-177	174.3	41.3	-33.5	0	0	0	111.3	Y660	Y660-P662 HydrophobicContact CD1-CG 4.32Å
663	I	27.3	Very low	29.3	Very low	142 Å²	142	137.3 Å²	137.3	73%	0.728	77%	0.769	S	S	*	*			trans	63	106.6	165.9	-51.6	164	0	0	0	115.3
664	Y	31.2	Very low	29.7	Very low	239 Å²	239	135.6 Å²	135.6	94%	0.937	77%	0.771	S	S	*	*				-130.4	108.5	127.4	-110.7	-84.7	0	0	0	108.2
665	A	25.9	Very low	29.5	Very low	85 Å²	85	136.3 Å²	136.3	70%	0.702	77%	0.773	S	S	*	*			trans	-91.9	136.4	169.3	0	0	0	0	0	108.5
666	A	31.6	Very low	29.8	Very low	101 Å²	101	141.2 Å²	141.2	84%	0.835	78%	0.783	S	S	*	*			trans	-130.9	83.2	174.8	0	0	0	0	0	109
667	E	31	Very low	29.7	Very low	185 Å²	185	135.3 Å²	135.3	86%	0.864	78%	0.775	S	S	*	*			trans	21	118.3	154.1	-59	-178.1	157.2	0	0	119.4
668	V	27.4	Very low	30	Very low	130 Å²	130	134.6 Å²	134.6	79%	0.788	77%	0.774	S	S	*	*			trans	-84.5	141.9	166.2	-156.1	0	0	0	0	109.6	T670	V668-T670 HydrophobicContact CG1-CG2 4.44Å
669	P	33.9	Very low	30	Very low	125 Å²	125	137.8 Å²	137.8	81%	0.812	78%	0.784	S	S	*	*			trans	-105.4	119.2	142.1	-11.2	29.6	0	0	0	110.6
670	T	29.3	Very low	30.3	Very low	120 Å²	120	136.9 Å²	136.9	74%	0.736	78%	0.781	S	S	*	*			trans	-74.1	149.3	169.3	48	0	0	0	0	111	V668	V668-T670 HydrophobicContact CG1-CG2 4.44Å
671	C	30.4	Very low	30.5	Very low	111 Å²	111	132.7 Å²	132.7	75%	0.75	78%	0.777	S	S	*	*			trans	-178.5	155.5	130.3	-96.8	0	0	0	0	113.6
672	F	32.5	Very low	30.6	Very low	206 Å²	206	131.4 Å²	131.4	90%	0.904	77%	0.769	S	S	*	*			trans	61	110.6	169.7	-69.2	-72.8	0	0	0	120.3
673	A	29.4	Very low	30.6	Very low	80 Å²	80	137 Å²	137	66%	0.661	78%	0.782	S	S	*	*			trans	-95.5	173.7	154.5	0	0	0	0	0	110.4
674	P	35	Very low	30.8	Very low	134 Å²	134	139.6 Å²	139.6	87%	0.87	79%	0.788	S	S	*	*				-128.4	-176.5	114.5	37.3	-31.1	0	0	0	113.8
675	T	29.7	Very low	30.9	Very low	113 Å²	113	134 Å²	134	69%	0.693	77%	0.774	S	S	*	*			trans	-114	-169.9	-158	48.1	0	0	0	0	114.7
676	F	32.2	Very low	31	Very low	198 Å²	198	139 Å²	139	87%	0.868	78%	0.776	S	S	*	*			trans	81.9	134.8	179.9	-58.3	-82.7	0	0	0	115.9
677	S	30.1	Very low	31	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	77%	0.774	S	S	*	*			cis	-158.4	145.6	-17.6	-160.9	0	0	0	0	110
678	P	32.4	Very low	31.1	Very low	119 Å²	119	137.6 Å²	137.6	77%	0.773	77%	0.765	S	S	*	*			trans	-102.5	148	-172	37.6	-33.5	0	0	0	115.6
679	C	28.3	Very low	31.4	Very low	129 Å²	129	136.5 Å²	136.5	87%	0.872	76%	0.762	S	S	*	*			trans	-141.3	160.5	163.6	-96.4	0	0	0	0	110.4
680	P	32.7	Very low	31.3	Very low	113 Å²	113	135.7 Å²	135.7	73%	0.734	76%	0.759	S	S	*	*				-99.1	143.7	-123.5	34	-37.9	0	0	0	117.6
681	T	29.8	Very low	31.6	Very low	115 Å²	115	137.9 Å²	137.9	71%	0.706	77%	0.766	S	S	*	*			trans	-73.3	125.6	159.2	-54.8	0	0	0	0	110.5	Y683	T681-Y683 HydrophobicContact CG2-CD2 3.78Å; T681-Y683 HydrophobicContact CG2-CE2 3.98Å; T681-Y683 PolarHBondContact O-N 2.73Å
682	I	32.7	Very low	31.9	Very low	136 Å²	136	141.2 Å²	141.2	70%	0.697	77%	0.77	S	S	*	*			trans	-84.1	100.3	167.3	-58.4	-179.7	0	0	0	109	F684	I682-F684 HydrophobicContact CG2-CD2 3.94Å; I682-F684 HydrophobicContact CG2-CE2 3.71Å; I682-F684 HydrophobicContact CG2-CZ 4.4Å
683	Y	29.6	Very low	32.3	Very low	191 Å²	191	137.3 Å²	137.3	75%	0.749	77%	0.766	S	S	*	*			trans	-80.4	117.7	162.7	-95.5	-94.8	0	0	0	109.4	T681	T681-Y683 HydrophobicContact CG2-CD2 3.78Å; T681-Y683 HydrophobicContact CG2-CE2 3.98Å; T681-Y683 PolarHBondContact O-N 2.73Å
684	F	32.5	Very low	32.5	Very low	195 Å²	195	142.6 Å²	142.6	86%	0.855	78%	0.777	S	S	*	*			trans	-85.2	112.2	157.9	-83.8	-78.3	0	0	0	108.8	I682	I682-F684 HydrophobicContact CG2-CD2 3.94Å; I682-F684 HydrophobicContact CG2-CE2 3.71Å; I682-F684 HydrophobicContact CG2-CZ 4.4Å
685	N	33.4	Very low	32.8	Very low	121 Å²	121	142.3 Å²	142.3	65%	0.647	78%	0.778	S	S	*	*			trans	-90.3	138.5	180	-106.2	-19.5	0	0	0	110.8
686	Y	28.1	Very low	33.4	Very low	190 Å²	190	140.7 Å²	140.7	75%	0.745	78%	0.784	S	S	*	*			trans	35.1	122.5	156.5	-65.4	-90.1	0	0	0	119.6	V688	Y686-V688 HydrophobicContact CD1-CG2 3.73Å; Y686-V688 HydrophobicContact CE1-CG2 4.23Å
687	D	30.7	Very low	33.6	Very low	147 Å²	147	137.4 Å²	137.4	79%	0.786	78%	0.784	S	S	*	*				-129.8	132	117.8	-148.8	-20	0	0	0	109.6
688	V	34	Very low	33.9	Very low	111 Å²	111	141.8 Å²	141.8	67%	0.673	80%	0.796	S	S	*	*			trans	-128.3	85.6	-179	172.6	0	0	0	0	107.5	Y686 S690	Y686-V688 HydrophobicContact CD1-CG2 3.73Å; Y686-V688 HydrophobicContact CE1-CG2 4.23Å; V688-S690 PolarHBondContact O-N 3.19Å
689	C	33	Very low	34.2	Very low	107 Å²	107	141.1 Å²	141.1	72%	0.723	79%	0.794	S	S	*	*			trans	-64.5	104.3	176.4	-65.7	0	0	0	0	110.6	N691	C689-N691 PolarHBondContact O-N 2.85Å
690	S	31.3	Very low	34.5	Very low	108 Å²	108	141.7 Å²	141.7	76%	0.755	79%	0.793	S	S	*	*			trans	-61.9	128.5	170.3	56.8	0	0	0	0	111.2	V688	V688-S690 PolarHBondContact O-N 3.19Å
691	N	36	Very low	35.1	Very low	165 Å²	165	143.4 Å²	143.4	88%	0.882	83%	0.831	S	S	*	*			trans	-149.4	103	162	-103.7	-45.2	0	0	0	110.1	C689	C689-N691 PolarHBondContact O-N 2.85Å
692	Q	35.5	Very low	35.3	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	84%	0.837	S	S	*	*			trans	-135.5	116.8	174.4	-172.7	179.8	15.6	0	0	108.4
693	P	41.2	Very low	35.5	Very low	125 Å²	125	145.3 Å²	145.3	81%	0.812	84%	0.844	S	S	*	*			trans	-75.9	143.3	178.9	30.4	-33.5	0	0	0	111.3
694	Q	35	Very low	35.8	Very low	190 Å²	190	142.7 Å²	142.7	89%	0.888	85%	0.849	S	S	*	*			trans	-79.5	142.2	179.1	-63.6	176.8	-13.6	0	0	112.6
695	S	40.9	Very low	36	Very low	128 Å²	128	139.6 Å²	139.6	90%	0.895	85%	0.849	S	S	*	*			trans	-176.9	156.2	138.1	42.9	0	0	0	0	110.9
696	G	41.9	Very low	36.1	Very low	79 Å²	79	140.8 Å²	140.8	81%	0.814	86%	0.862	S	S	*	*			trans	99.6	56.2	165.1	0	0	0	0	0	117.9
697	C	36.1	Very low	36.7	Very low	130 Å²	130	137.5 Å²	137.5	88%	0.878	87%	0.87	S	S	*	*			trans	-70.1	132.9	157.4	-76.1	0	0	0	0	110.8
698	M	37.9	Very low	37.1	Very low	198 Å²	198	136.9 Å²	136.9	98%	0.975	88%	0.875	S	S	*	*				-159.7	166.3	129.3	-110.4	176.7	-170.8	0	0	111.7
699	S	38.4	Very low	37.3	Very low	105 Å²	105	138.8 Å²	138.8	73%	0.734	89%	0.891	S	S	*	*			trans	-100.5	143.3	-156.8	178.1	0	0	0	0	114.4
700	V	34	Very low	37.7	Very low	141 Å²	141	141.5 Å²	141.5	86%	0.855	91%	0.905	S	S	*	*			trans	13.8	120.2	147.1	-169.7	0	0	0	0	117.5
701	G	44.3	Very low	38.3	Very low	148 Å²	148	144.5 Å²	144.5	100%	1.526	92%	0.919	S	S	*	*			trans	-153.1	0	159.3	0	0	0	0	0	109.2

Retrieved 701 of 701 residues in 2174.4 ms (Link to these results)

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