A0A087XLN1_POEFO Loading...

DEAQ-box RNA dependent ATPase 1

AlphaFold DB , UniProt , Accession A0A087XLN1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 777 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	29.2	Very low	234 Å²	234	134.7 Å²	134.7	100%	1.153	87%	0.87	S	S	*	*				0	80.8	0	-68.4	-176.7	173.8	0	0	106.2
2	T	33.1	Very low	29.5	Very low	134 Å²	134	133.3 Å²	133.3	82%	0.822	86%	0.86	S	S	*	*				84.2	102.1	85.4	49.5	0	0	0	0	112.4
3	S	27.4	Very low	29.9	Very low	118 Å²	118	131.4 Å²	131.4	83%	0.825	85%	0.853	S	S	*	*				-179.2	108.9	125.7	55.1	0	0	0	0	110.7
4	S	26.9	Very low	30.1	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	84%	0.843	S	S	*	*			trans	-68	158.9	165.3	-26	0	0	0	0	111.2
5	P	31.2	Very low	30.5	Very low	128 Å²	128	127.8 Å²	127.8	83%	0.831	83%	0.83	S	S	*	*			trans	-104.3	138.8	146	26.5	-11.8	0	0	0	110.7
6	Q	27.4	Very low	30.5	Very low	186 Å²	186	128.9 Å²	128.9	87%	0.869	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-67.8	154.5	176.5	-71.7	173.5	-63.2	0	0	112.3
7	P	28.8	Very low	30.7	Very low	129 Å²	129	127.6 Å²	127.6	84%	0.838	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-82.2	136.1	166.9	32.8	-29.5	0	0	0	110.8
8	C	28.7	Very low	30.9	Very low	136 Å²	136	126.4 Å²	126.4	92%	0.919	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-91.7	124.7	171.4	-89.8	0	0	0	0	110.7
9	G	26.4	Very low	31.2	Very low	81 Å²	81	122.6 Å²	122.6	84%	0.835	79%	0.785	S	S	*	*			trans	81.9	92.2	137.7	0	0	0	0	0	118.5
10	S	30.6	Very low	31.7	Very low	122 Å²	122	118 Å²	118	85%	0.853	75%	0.754	S	S	*	*			trans	-89.5	132.3	159.4	53.2	0	0	0	0	111.6
11	A	28.4	Very low	31.8	Very low	98 Å²	98	116.1 Å²	116.1	81%	0.81	74%	0.744	S	S	*	*			trans	169.3	156.6	136.8	0	0	0	0	0	112.1
12	P	32.6	Very low	32.1	Very low	117 Å²	117	107.7 Å²	107.7	76%	0.76	71%	0.709	S	S	*	*			cis	-115	141.3	-10.3	34.6	-19.2	0	0	0	113.1	A14	P12-A14 PolarHBondContact O-N 2.75Å
13	S	34.9	Very low	32.4	Very low	109 Å²	109	105.6 Å²	105.6	76%	0.762	69%	0.692	S	S	*	*			trans	-70.7	109.2	160.4	50	0	0	0	0	109.3
14	A	32.5	Very low	32.9	Very low	86 Å²	86	102.8 Å²	102.8	71%	0.711	67%	0.668	S	S	*	*			trans	-143.8	41.8	171	0	0	0	0	0	111.6	P12	P12-A14 PolarHBondContact O-N 2.75Å
15	L	36.8	Very low	33.3	Very low	123 Å²	123	100.8 Å²	100.8	64%	0.644	65%	0.653	S	S	*	*			trans	-147.2	42.5	171.4	-81.9	172.5	0	0	0	109.9	S17 L18	L15-S17 PolarHBondContact O-N 3Å; L15-L18 HydrophobicContact CD2-CD1 3.95Å
16	D	30.6	Very low	33.8	Very low	146 Å²	146	97.9 Å²	97.9	78%	0.781	65%	0.647	S	S	*	*	S	Bend	trans	-79.6	109.6	169.5	-86	-28.1	0	0	0	109.2
17	S	33.1	Very low	34.1	Very low	107 Å²	107	96 Å²	96	75%	0.748	64%	0.642	S	S	*	*			trans	70.8	67.4	164.4	68.4	0	0	0	0	118	L15 S19	L15-S17 PolarHBondContact O-N 3Å; S17-S19 VanDerWaalsContact C-N 3.29Å; S17-S19 PolarHBondContact O-N 3.45Å; S17-S19 VanDerWaalsContact O-N 3.07Å
18	L	34.4	Very low	34.7	Very low	105 Å²	105	96.9 Å²	96.9	55%	0.55	64%	0.639	S	S	.	*			trans	-73.7	88.8	151.4	-77.3	165.8	0	0	0	108.5	L15	L15-L18 HydrophobicContact CD2-CD1 3.95Å
19	S	37.4	Very low	34.9	Very low	55 Å²	55	97.8 Å²	97.8	39%	0.385	64%	0.635	S	S	.	*			trans	-63.2	146.2	167.7	79.2	0	0	0	0	109.3	S17 S21 S22	S17-S19 VanDerWaalsContact C-N 3.29Å; S17-S19 PolarHBondContact O-N 3.45Å; S17-S19 VanDerWaalsContact O-N 3.07Å; S19-S21 PolarHBondContact O-N 3.31Å; S19-S21 WeakPolarHBondContact OG-CB 3.46Å; S19-S21 PolarHBondContact OG-OG 3.04Å; S19-S22 WeakPolarHBondContact O-CB 3.38Å; S19-S22 PolarHBondContact O-N 2.83Å; S19-S22 PolarHBondContact O-OG 3.46Å; S19-S22 PolarHBondContact OG-OG 2.9Å
20	V	41.2	Very low	35.5	Very low	29 Å²	29	101.6 Å²	101.6	18%	0.176	64%	0.637	C	S	.	*	H	α-helix	trans	-53.2	-30.5	176.5	-172.8	0	0	0	0	111.4	S22 L23 L24 E79	V20-S22 VanDerWaalsContact C-N 3.25Å; V20-S22 PolarHBondContact O-N 2.78Å; V20-L23 PolarHBondContact O-N 3.36Å; V20-L23 VanDerWaalsContact O-N 3.11Å; V20-L24 HydrophobicContact CG1-CD1 3.97Å; V20-L24 HydrophobicContact CG1-CG 4.16Å; V20-L24 VanDerWaalsContact O-CG 3.26Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 3.37Å; V20-E79 WeakPolarHBondContact CB-OE1 3.5Å; V20-E79 WeakPolarHBondContact CG1-OE1 3.28Å; V20-E79 WeakPolarHBondContact CG2-OE1 3.36Å
21	S	32.9	Very low	35.6	Very low	79 Å²	79	102.9 Å²	102.9	55%	0.552	63%	0.634	S	S	*	*	H	α-helix	trans	-54.4	-33.3	171.4	-4.9	0	0	0	0	114.6	S19 L24 S25	S19-S21 PolarHBondContact O-N 3.31Å; S19-S21 WeakPolarHBondContact OG-CB 3.46Å; S19-S21 PolarHBondContact OG-OG 3.04Å; S21-L24 PolarHBondContact O-N 3.07Å; S21-S25 PolarHBondContact O-N 3.45Å; S21-S25 PolarHBondContact O-OG 3.36Å
22	S	37.8	Very low	36.3	Very low	58 Å²	58	106.3 Å²	106.3	41%	0.406	64%	0.639	S	S	.	*	H	α-helix	trans	-77.1	-27.1	179.6	-45.3	0	0	0	0	112.6	S19 V20 S25	S19-S22 WeakPolarHBondContact O-CB 3.38Å; S19-S22 PolarHBondContact O-N 2.83Å; S19-S22 PolarHBondContact O-OG 3.46Å; S19-S22 PolarHBondContact OG-OG 2.9Å; V20-S22 VanDerWaalsContact C-N 3.25Å; V20-S22 PolarHBondContact O-N 2.78Å; S22-S25 PolarHBondContact O-OG 3.34Å
23	L	41.2	Very low	36.3	Very low	89 Å²	89	103.6 Å²	103.6	47%	0.466	63%	0.631	S	S	.	*	H	α-helix	trans	-82.5	-23.9	172.6	-72.8	166	0	0	0	112	V20	V20-L23 PolarHBondContact O-N 3.36Å; V20-L23 VanDerWaalsContact O-N 3.11Å
24	L	37.5	Very low	36.8	Very low	60 Å²	60	108.1 Å²	108.1	31%	0.314	64%	0.641	S	S	.	*	H	α-helix	trans	-81.4	-26.3	177	-69	171	0	0	0	113	V20 S21 G26 Q72 L75	V20-L24 HydrophobicContact CG1-CD1 3.97Å; V20-L24 HydrophobicContact CG1-CG 4.16Å; V20-L24 VanDerWaalsContact O-CG 3.26Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 3.37Å; S21-L24 PolarHBondContact O-N 3.07Å; L24-G26 VanDerWaalsContact C-N 3.31Å; L24-G26 PolarHBondContact O-N 3.09Å; L24-Q72 HydrophobicContact CD2-CG 4.33Å; L24-L75 HydrophobicContact CD2-CD1 4.24Å
25	S	35.7	Very low	37	Very low	73 Å²	73	112.9 Å²	112.9	51%	0.51	65%	0.648	S	S	.	*			trans	-82.1	71.4	176.5	58.9	0	0	0	0	111.7	S21 S22 D27	S21-S25 PolarHBondContact O-N 3.45Å; S21-S25 PolarHBondContact O-OG 3.36Å; S22-S25 PolarHBondContact O-OG 3.34Å; S25-D27 PolarHBondContact O-N 3.41Å; S25-D27 VanDerWaalsContact O-N 3.12Å
26	G	40.6	Very low	37.4	Very low	67 Å²	67	117.4 Å²	117.4	69%	0.691	67%	0.666	S	S	*	*			trans	-79	44	165.4	0	0	0	0	0	112.5	L24 L28	L24-G26 VanDerWaalsContact C-N 3.31Å; L24-G26 PolarHBondContact O-N 3.09Å; G26-L28 PolarHBondContact O-N 3.13Å
27	D	33.6	Very low	37.8	Very low	146 Å²	146	113.1 Å²	113.1	78%	0.781	66%	0.657	S	S	*	*			trans	-83.2	105.5	174.4	-79.5	-25.6	0	0	0	108.5	S25 D29	S25-D27 PolarHBondContact O-N 3.41Å; S25-D27 VanDerWaalsContact O-N 3.12Å; D27-D29 PolarHBondContact O-N 2.86Å
28	L	41.7	Very low	38.3	Very low	148 Å²	148	116.9 Å²	116.9	78%	0.775	67%	0.667	S	S	*	*			trans	-68.1	100.8	168.4	-65.3	162.6	0	0	0	107.7	G26 D30	G26-L28 PolarHBondContact O-N 3.13Å; L28-D30 PolarHBondContact O-N 2.89Å
29	D	33.4	Very low	39	Very low	155 Å²	155	114.8 Å²	114.8	83%	0.829	67%	0.671	S	S	*	*			trans	-73.9	104.4	160.7	-81.3	-32.1	0	0	0	107.8	D27 D31	D27-D29 PolarHBondContact O-N 2.86Å; D29-D31 VanDerWaalsContact C-N 3.29Å; D29-D31 PolarHBondContact O-N 3.17Å
30	D	38.6	Very low	40.2	Very low	162 Å²	162	120.4 Å²	120.4	87%	0.866	70%	0.697	S	S	*	*			trans	-63.4	89.4	161.2	-80.7	-37.5	0	0	0	108.1	L28	L28-D30 PolarHBondContact O-N 2.89Å
31	D	33.6	Very low	41.7	Very low	149 Å²	149	124.9 Å²	124.9	80%	0.797	72%	0.719	S	S	*	*			trans	-102	97	164.2	-159.5	37.6	0	0	0	109	D29 G33	D29-D31 VanDerWaalsContact C-N 3.29Å; D29-D31 PolarHBondContact O-N 3.17Å; D31-G33 VanDerWaalsContact C-N 3.33Å; D31-G33 PolarHBondContact O-N 3.11Å
32	D	41.4	Very low	44.3	Very low	170 Å²	170	127 Å²	127	91%	0.909	72%	0.72	S	S	*	*			trans	-64.1	91.3	166.9	-87	-38	0	0	0	109
33	G	34.3	Very low	47	Very low	59 Å²	59	128 Å²	128	61%	0.608	72%	0.724	S	S	*	*			trans	-135.1	98	173.4	0	0	0	0	0	111.5	D31 E35	D31-G33 VanDerWaalsContact C-N 3.33Å; D31-G33 PolarHBondContact O-N 3.11Å; G33-E35 PolarHBondContact O-N 3.02Å; G33-E35 VanDerWaalsContact O-N 3.09Å
34	E	44.8	Very low	49.5	Very low	204 Å²	204	123.8 Å²	123.8	95%	0.953	70%	0.702	S	S	*	*			trans	-60.2	103.3	172.7	-67.3	177.1	157.3	0	0	111.7
35	E	36.5	Very low	52.1	Low	187 Å²	187	124.8 Å²	124.8	87%	0.874	71%	0.712	S	S	*	*			trans	-136.2	111.7	151.5	-83.6	-165.5	160.8	0	0	110.2	G33 G37	G33-E35 PolarHBondContact O-N 3.02Å; G33-E35 VanDerWaalsContact O-N 3.09Å; E35-G37 PolarHBondContact O-N 3.02Å
36	E	44.3	Very low	54.9	Low	217 Å²	217	123.4 Å²	123.4	100%	1.014	70%	0.696	S	S	*	*			trans	-65.9	80.6	169.3	-72.5	-178	151.9	0	0	110.4
37	G	38.8	Very low	57.3	Low	57 Å²	57	123 Å²	123	59%	0.588	68%	0.677	S	S	*	*	S	Bend	trans	-116.6	146.5	158.2	0	0	0	0	0	108.3	E35 G39	E35-G37 PolarHBondContact O-N 3.02Å; G37-G39 VanDerWaalsContact C-N 3.26Å; G37-G39 PolarHBondContact O-N 3.1Å
38	L	45.1	Very low	60.1	Low	186 Å²	186	118.3 Å²	118.3	97%	0.974	66%	0.664	S	S	*	*			trans	-54.8	95	167.2	-80.4	142.4	0	0	0	108	D40	L38-D40 PolarHBondContact O-N 2.77Å
39	G	49	Very low	62.5	Low	60 Å²	60	116.2 Å²	116.2	62%	0.619	65%	0.653	S	S	*	*			trans	-57.2	136.1	-177.8	0	0	0	0	0	109.6	G37 L41	G37-G39 VanDerWaalsContact C-N 3.26Å; G37-G39 PolarHBondContact O-N 3.1Å; G39-L41 PolarHBondContact O-N 2.91Å
40	D	62.2	Low	65.5	Low	174 Å²	174	112.2 Å²	112.2	93%	0.93	64%	0.635	S	S	*	*			trans	-52.5	106.3	173.2	-74.4	-33.5	0	0	0	108.1	L38 E42	L38-D40 PolarHBondContact O-N 2.77Å; D40-E42 PolarHBondContact O-N 3.35Å
41	L	72.9	Confident	68.2	Low	123 Å²	123	105.5 Å²	105.5	64%	0.644	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-63.5	128.2	178	-71.6	166.3	0	0	0	107.8	G39 V43 P50	G39-L41 PolarHBondContact O-N 2.91Å; L41-V43 PolarHBondContact O-N 2.93Å; L41-P50 HydrophobicContact CB-CB 4Å; L41-P50 HydrophobicContact CD1-CB 4.2Å
42	E	87.9	Confident	71.2	Confident	122 Å²	122	100.3 Å²	100.3	57%	0.57	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-55.7	127	174.5	-167.8	179.1	-174	0	0	109.2	D40 F51	D40-E42 PolarHBondContact O-N 3.35Å; E42-F51 HydrophobicContact CB-CD2 4.29Å; E42-F51 HydrophobicContact CG-CD2 4.19Å; E42-F51 HydrophobicContact CG-CE2 4.15Å; E42-F51 PolarHBondContact O-N 3.45Å; E42-F51 VanDerWaalsContact O-N 3.17Å
43	V	93.4	Very high	73.7	Confident	80 Å²	80	97.3 Å²	97.3	49%	0.485	57%	0.566	S	S	.	*	B	Isolated β-bridge	trans	-94.4	141.2	-179	-67.1	0	0	0	0	110.2	L41 L49	L41-V43 PolarHBondContact O-N 2.93Å; V43-L49 CarbonylContact C-O 3.57Å; V43-L49 WeakPolarHBondContact CA-O 3.47Å
44	N	94.2	Very high	76.5	Confident	1 Å²	1	101.1 Å²	101.1	1%	0.005	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-65.1	121.2	173.9	-176.1	-15.9	0	0	0	109	Y46 D47 G48 L49 F51 M137 L139	N44-Y46 PolarHBondContact O-N 3.12Å; N44-Y46 VanDerWaalsContact O-N 3.14Å; N44-Y46 WeakPolarHBondContact OD1-CD2 3.24Å; N44-Y46 PolarHBondContact OD1-N 3.31Å; N44-D47 VanDerWaalsContact CB-OD1 3.29Å; N44-D47 WeakPolarHBondContact CB-OD1 3.43Å; N44-G48 VanDerWaalsContact O-CA 3.26Å; N44-G48 WeakPolarHBondContact O-CA 3.29Å; N44-G48 PolarHBondContact O-N 3.28Å; N44-L49 VanDerWaalsContact CB-O 3.32Å; N44-L49 WeakPolarHBondContact CB-O 3.4Å; N44-L49 PolarHBondContact N-O 3.09Å; N44-F51 VanDerWaalsContact CA-CZ 3.49Å; N44-F51 HydrophobicContact CB-CD1 3.88Å; N44-F51 HydrophobicContact CB-CE1 3.54Å; N44-F51 HydrophobicContact CB-CE2 4.35Å; N44-F51 HydrophobicContact CB-CG 4.43Å; N44-F51 HydrophobicContact CB-CZ 3.82Å; N44-M137 PolarHBondContact ND2-O 3.21Å; N44-L139 WeakPolarHBondContact ND2-CD2 3.15Å
45	P	92.9	Very high	78.9	Confident	80 Å²	80	93 Å²	93	52%	0.519	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.2	-173.2	28.8	-36.9	0	0	0	113.6	L107	P45-L107 HydrophobicContact CB-CD2 4.27Å; P45-L107 HydrophobicContact CG-CD2 4.4Å
46	Y	92.6	Very high	81.7	Confident	45 Å²	45	88.3 Å²	88.3	18%	0.176	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-39.4	-176.7	-52.6	-67.3	0	0	0	112.7	N44 V103 L107 M137 L139 L160	N44-Y46 PolarHBondContact O-N 3.12Å; N44-Y46 VanDerWaalsContact O-N 3.14Å; N44-Y46 WeakPolarHBondContact OD1-CD2 3.24Å; N44-Y46 PolarHBondContact OD1-N 3.31Å; Y46-V103 HydrophobicContact CD1-CG1 4.47Å; Y46-V103 HydrophobicContact CE1-CG1 3.62Å; Y46-L107 HydrophobicContact CD1-CD2 4.47Å; Y46-L107 HydrophobicContact CE1-CD2 3.81Å; Y46-M137 HydrophobicContact CD2-CE 3.79Å; Y46-M137 HydrophobicContact CE1-CE 4.29Å; Y46-M137 HydrophobicContact CE2-CE 3.37Å; Y46-M137 HydrophobicContact CG-CE 4.45Å; Y46-L139 HydrophobicContact CD2-CD1 3.89Å; Y46-L139 HydrophobicContact CG-CD1 4.18Å; Y46-L160 HydrophobicContact CD1-CD1 3.96Å
47	D	92.3	Very high	84.1	Confident	57 Å²	57	80.6 Å²	80.6	31%	0.305	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-9.4	-178.2	70.2	0.5	0	0	0	114.2	N44 L49 L139	N44-D47 VanDerWaalsContact CB-OD1 3.29Å; N44-D47 WeakPolarHBondContact CB-OD1 3.43Å; D47-L49 VanDerWaalsContact C-N 3.29Å; D47-L49 PolarHBondContact O-N 3.13Å; D47-L49 WeakPolarHBondContact OD1-CB 3.13Å; D47-L49 PolarHBondContact OD1-N 3.46Å; D47-L139 HydrophobicContact CB-CD2 4.09Å
48	G	91.6	Very high	86.6	Confident	49 Å²	49	78.4 Å²	78.4	51%	0.505	45%	0.446	S	S	.	.			trans	75	9.1	-179.1	0	0	0	0	0	115.1	N44	N44-G48 VanDerWaalsContact O-CA 3.26Å; N44-G48 WeakPolarHBondContact O-CA 3.29Å; N44-G48 PolarHBondContact O-N 3.28Å
49	L	93.5	Very high	89	Confident	104 Å²	104	70.5 Å²	70.5	55%	0.545	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-91.1	151	179	-60.1	-179.1	0	0	0	111.5	V43 N44 D47 F51	V43-L49 CarbonylContact C-O 3.57Å; V43-L49 WeakPolarHBondContact CA-O 3.47Å; N44-L49 VanDerWaalsContact CB-O 3.32Å; N44-L49 WeakPolarHBondContact CB-O 3.4Å; N44-L49 PolarHBondContact N-O 3.09Å; D47-L49 VanDerWaalsContact C-N 3.29Å; D47-L49 PolarHBondContact O-N 3.13Å; D47-L49 WeakPolarHBondContact OD1-CB 3.13Å; D47-L49 PolarHBondContact OD1-N 3.46Å; L49-F51 PolarHBondContact O-N 2.82Å
50	P	95.3	Very high	91.1	Very high	70 Å²	70	73.1 Å²	73.1	46%	0.455	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-61.2	136.7	173.8	-22	33.3	0	0	0	112.1	L41	L41-P50 HydrophobicContact CB-CB 4Å; L41-P50 HydrophobicContact CD1-CB 4.2Å
51	F	95.3	Very high	92.5	Very high	22 Å²	22	68.9 Å²	68.9	10%	0.096	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-60.3	139.2	175.7	-75	-65.2	0	0	0	112.5	E42 N44 L49 Y55 Y56 D138	E42-F51 HydrophobicContact CB-CD2 4.29Å; E42-F51 HydrophobicContact CG-CD2 4.19Å; E42-F51 HydrophobicContact CG-CE2 4.15Å; E42-F51 PolarHBondContact O-N 3.45Å; E42-F51 VanDerWaalsContact O-N 3.17Å; N44-F51 VanDerWaalsContact CA-CZ 3.49Å; N44-F51 HydrophobicContact CB-CD1 3.88Å; N44-F51 HydrophobicContact CB-CE1 3.54Å; N44-F51 HydrophobicContact CB-CE2 4.35Å; N44-F51 HydrophobicContact CB-CG 4.43Å; N44-F51 HydrophobicContact CB-CZ 3.82Å; L49-F51 PolarHBondContact O-N 2.82Å; F51-Y55 HydrophobicContact CB-CD1 3.64Å; F51-Y55 HydrophobicContact CB-CE1 4.21Å; F51-Y55 HydrophobicContact CB-CG 4.17Å; F51-Y55 AromaticContact CD1-CD1 3.46Å; F51-Y55 HydrophobicContact CD1-CD1 3.46Å; F51-Y55 VanDerWaalsContact CD1-CD1 3.46Å; F51-Y55 AromaticContact CD1-CD2 3.76Å; F51-Y55 HydrophobicContact CD1-CD2 3.76Å; F51-Y55 AromaticContact CD1-CE1 3.6Å; F51-Y55 HydrophobicContact CD1-CE1 3.6Å; F51-Y55 AromaticContact CD1-CE2 3.92Å; F51-Y55 HydrophobicContact CD1-CE2 3.92Å; F51-Y55 AromaticContact CD1-CG 3.52Å; F51-Y55 HydrophobicContact CD1-CG 3.52Å; F51-Y55 AromaticContact CD1-CZ 3.83Å; F51-Y55 HydrophobicContact CD2-CD1 4.2Å; F51-Y55 AromaticContact CD2-CE1 3.89Å; F51-Y55 HydrophobicContact CD2-CE1 3.89Å; F51-Y55 HydrophobicContact CE1-CD1 4.08Å; F51-Y55 AromaticContact CE1-CD2 3.9Å; F51-Y55 HydrophobicContact CE1-CD2 3.9Å; F51-Y55 AromaticContact CE1-CE1 3.8Å; F51-Y55 HydrophobicContact CE1-CE1 3.8Å; F51-Y55 AromaticContact CE1-CE2 3.62Å; F51-Y55 HydrophobicContact CE1-CE2 3.62Å; F51-Y55 HydrophobicContact CE1-CG 4.12Å; F51-Y55 AromaticContact CE1-CZ 3.55Å; F51-Y55 HydrophobicContact CE2-CE1 4.07Å; F51-Y55 AromaticContact CG-CD1 3.52Å; F51-Y55 HydrophobicContact CG-CD1 3.52Å; F51-Y55 AromaticContact CG-CE1 3.64Å; F51-Y55 HydrophobicContact CG-CE1 3.64Å; F51-Y55 HydrophobicContact CG-CG 4.04Å; F51-Y55 HydrophobicContact CZ-CE1 4.01Å; F51-Y55 HydrophobicContact CZ-CE2 4.24Å; F51-Y55 AromaticContact CZ-CZ 3.76Å; F51-Y56 HydrophobicContact CB-CE2 3.75Å; F51-D138 HydrophobicContact CD1-CB 4.14Å
52	S	95.8	Very high	93.4	Very high	39 Å²	39	63.3 Å²	63.3	27%	0.273	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-74.5	160.9	177	81	0	0	0	0	112.4	R54 Y55 Y56 D138	S52-R54 PolarHBondContact O-N 2.85Å; S52-R54 PolarHBondContact OG-N 2.92Å; S52-Y55 WeakPolarHBondContact O-CB 3.39Å; S52-Y55 PolarHBondContact O-N 2.83Å; S52-Y55 PolarHBondContact OG-N 2.95Å; S52-Y55 VanDerWaalsContact OG-N 3.17Å; S52-Y56 WeakPolarHBondContact O-CD2 3.45Å; S52-D138 WeakPolarHBondContact CB-OD1 3.3Å; S52-D138 VanDerWaalsContact CB-OD2 3.23Å; S52-D138 WeakPolarHBondContact CB-OD2 3.22Å; S52-D138 PolarHBondContact N-OD2 3.11Å; S52-D138 VanDerWaalsContact OG-CG 3.24Å; S52-D138 PolarHBondContact OG-OD1 3.15Å; S52-D138 PolarHBondContact OG-OD2 3.44Å
53	S	93.9	Very high	93.7	Very high	108 Å²	108	64 Å²	64	76%	0.755	34%	0.343	S	S	*	.	H	α-helix	trans	-62.8	-27	172	56.3	0	0	0	0	112.9	A57	S53-A57 PolarHBondContact O-N 3.25Å
54	R	93.6	Very high	93.6	Very high	139 Å²	139	69.1 Å²	69.1	53%	0.525	35%	0.354	S	S	.	.	H	α-helix	trans	-68.5	-39.9	177.2	-176.5	178.1	177.9	91.6	1.6	111.2	S52 Y56 A57 L58 D135	S52-R54 PolarHBondContact O-N 2.85Å; S52-R54 PolarHBondContact OG-N 2.92Å; R54-Y56 PolarHBondContact O-N 3.11Å; R54-A57 PolarHBondContact O-N 3.38Å; R54-L58 HydrophobicContact CG-CD1 4.2Å; R54-L58 WeakPolarHBondContact O-CG 3.44Å; R54-L58 PolarHBondContact O-N 2.89Å; R54-D135 WeakPolarHBondContact CD-OD1 3.22Å; R54-D135 IonicContact CZ-OD1 2.63Å; R54-D135 IonicContact CZ-OD2 2.72Å; R54-D135 IonicContact NE-OD1 3.33Å; R54-D135 PolarHBondContact NE-OD1 3.34Å; R54-D135 IonicContact NE-OD2 3.47Å; R54-D135 PolarHBondContact NE-OD2 3.2Å; R54-D135 IonicContact NH2-OD1 3.37Å; R54-D135 IonicContact NH2-OD2 3.72Å; R54-D135 PolarHBondContact NH2-OD2 2.78Å
55	Y	95.4	Very high	93.4	Very high	34 Å²	34	71.2 Å²	71.2	13%	0.133	37%	0.365	C	S	.	.	H	α-helix	trans	-53.5	-53	173.7	169.9	-103	0	0	0	111.8	F51 S52 A57 L58 L59 E136 D138	F51-Y55 HydrophobicContact CB-CD1 3.64Å; F51-Y55 HydrophobicContact CB-CE1 4.21Å; F51-Y55 HydrophobicContact CB-CG 4.17Å; F51-Y55 AromaticContact CD1-CD1 3.46Å; F51-Y55 HydrophobicContact CD1-CD1 3.46Å; F51-Y55 VanDerWaalsContact CD1-CD1 3.46Å; F51-Y55 AromaticContact CD1-CD2 3.76Å; F51-Y55 HydrophobicContact CD1-CD2 3.76Å; F51-Y55 AromaticContact CD1-CE1 3.6Å; F51-Y55 HydrophobicContact CD1-CE1 3.6Å; F51-Y55 AromaticContact CD1-CE2 3.92Å; F51-Y55 HydrophobicContact CD1-CE2 3.92Å; F51-Y55 AromaticContact CD1-CG 3.52Å; F51-Y55 HydrophobicContact CD1-CG 3.52Å; F51-Y55 AromaticContact CD1-CZ 3.83Å; F51-Y55 HydrophobicContact CD2-CD1 4.2Å; F51-Y55 AromaticContact CD2-CE1 3.89Å; F51-Y55 HydrophobicContact CD2-CE1 3.89Å; F51-Y55 HydrophobicContact CE1-CD1 4.08Å; F51-Y55 AromaticContact CE1-CD2 3.9Å; F51-Y55 HydrophobicContact CE1-CD2 3.9Å; F51-Y55 AromaticContact CE1-CE1 3.8Å; F51-Y55 HydrophobicContact CE1-CE1 3.8Å; F51-Y55 AromaticContact CE1-CE2 3.62Å; F51-Y55 HydrophobicContact CE1-CE2 3.62Å; F51-Y55 HydrophobicContact CE1-CG 4.12Å; F51-Y55 AromaticContact CE1-CZ 3.55Å; F51-Y55 HydrophobicContact CE2-CE1 4.07Å; F51-Y55 AromaticContact CG-CD1 3.52Å; F51-Y55 HydrophobicContact CG-CD1 3.52Å; F51-Y55 AromaticContact CG-CE1 3.64Å; F51-Y55 HydrophobicContact CG-CE1 3.64Å; F51-Y55 HydrophobicContact CG-CG 4.04Å; F51-Y55 HydrophobicContact CZ-CE1 4.01Å; F51-Y55 HydrophobicContact CZ-CE2 4.24Å; F51-Y55 AromaticContact CZ-CZ 3.76Å; S52-Y55 WeakPolarHBondContact O-CB 3.39Å; S52-Y55 PolarHBondContact O-N 2.83Å; S52-Y55 PolarHBondContact OG-N 2.95Å; S52-Y55 VanDerWaalsContact OG-N 3.17Å; Y55-A57 VanDerWaalsContact C-N 3.33Å; Y55-A57 PolarHBondContact O-N 2.97Å; Y55-L58 PolarHBondContact O-N 3.31Å; Y55-L58 VanDerWaalsContact O-N 3.16Å; Y55-L59 HydrophobicContact CE1-CD2 4.02Å; Y55-L59 WeakPolarHBondContact O-CB 3.44Å; Y55-L59 PolarHBondContact O-N 3.08Å; Y55-E136 WeakPolarHBondContact CD2-O 3.26Å; Y55-D138 HydrophobicContact CD2-CB 4.07Å; Y55-D138 HydrophobicContact CG-CB 4.28Å
56	Y	95.3	Very high	93.2	Very high	87 Å²	87	69.2 Å²	69.2	34%	0.341	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-39.4	-178.3	-66.8	-72.8	0	0	0	112.6	F51 S52 R54 L58 L59 E60	F51-Y56 HydrophobicContact CB-CE2 3.75Å; S52-Y56 WeakPolarHBondContact O-CD2 3.45Å; R54-Y56 PolarHBondContact O-N 3.11Å; Y56-L58 PolarHBondContact O-N 3.48Å; Y56-L59 PolarHBondContact O-N 2.85Å; Y56-E60 PolarHBondContact O-N 2.94Å; Y56-E60 VanDerWaalsContact O-N 3.08Å
57	A	94	Very high	93.3	Very high	55 Å²	55	67 Å²	67	46%	0.455	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-44.2	174.9	0	0	0	0	0	111.9	S53 R54 Y55 E61	S53-A57 PolarHBondContact O-N 3.25Å; R54-A57 PolarHBondContact O-N 3.38Å; Y55-A57 VanDerWaalsContact C-N 3.33Å; Y55-A57 PolarHBondContact O-N 2.97Å; A57-E61 PolarHBondContact O-N 3.43Å
58	L	93.3	Very high	93.4	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-67.5	-38.3	176.1	-68.9	176.6	0	0	0	111.8	R54 Y55 Y56 E60 E61 R62 D135 E136	R54-L58 HydrophobicContact CG-CD1 4.2Å; R54-L58 WeakPolarHBondContact O-CG 3.44Å; R54-L58 PolarHBondContact O-N 2.89Å; Y55-L58 PolarHBondContact O-N 3.31Å; Y55-L58 VanDerWaalsContact O-N 3.16Å; Y56-L58 PolarHBondContact O-N 3.48Å; L58-E60 VanDerWaalsContact C-N 3.32Å; L58-E60 PolarHBondContact O-N 3Å; L58-E61 WeakPolarHBondContact O-CB 3.29Å; L58-E61 PolarHBondContact O-N 2.73Å; L58-E61 VanDerWaalsContact O-N 3.14Å; L58-R62 WeakPolarHBondContact O-CB 3.26Å; L58-R62 WeakPolarHBondContact O-CD 3.42Å; L58-R62 WeakPolarHBondContact O-CG 3.49Å; L58-R62 PolarHBondContact O-N 3.04Å; L58-D135 WeakPolarHBondContact CD1-O 3.45Å; L58-E136 HydrophobicContact CD1-CG 4.38Å
59	L	94.8	Very high	93.4	Very high	19 Å²	19	73.4 Å²	73.4	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-60.6	-40.7	178.1	-176.9	61.3	0	0	0	111.9	Y55 Y56 E61 R62 R63 W68	Y55-L59 HydrophobicContact CE1-CD2 4.02Å; Y55-L59 WeakPolarHBondContact O-CB 3.44Å; Y55-L59 PolarHBondContact O-N 3.08Å; Y56-L59 PolarHBondContact O-N 2.85Å; L59-E61 VanDerWaalsContact C-N 3.34Å; L59-E61 PolarHBondContact O-N 3.4Å; L59-R62 PolarHBondContact O-N 3.48Å; L59-R63 VanDerWaalsContact O-CG 3.31Å; L59-R63 WeakPolarHBondContact O-CG 3.44Å; L59-R63 PolarHBondContact O-N 3.4Å; L59-W68 HydrophobicContact CD1-CH2 3.93Å
60	E	93.9	Very high	93.5	Very high	116 Å²	116	69.2 Å²	69.2	54%	0.542	33%	0.326	S	S	.	.	H	α-helix	trans	-62	-39.9	173.9	-74.6	-171.3	-170.7	0	0	112.8	Y56 L58 R64	Y56-E60 PolarHBondContact O-N 2.94Å; Y56-E60 VanDerWaalsContact O-N 3.08Å; L58-E60 VanDerWaalsContact C-N 3.32Å; L58-E60 PolarHBondContact O-N 3Å; E60-R64 WeakPolarHBondContact O-CG 3.5Å; E60-R64 IonicContact OE2-NH2 3.19Å
61	E	90.3	Very high	93.5	Very high	84 Å²	84	69.4 Å²	69.4	39%	0.393	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-44.5	175.7	-66.3	-174.4	164.2	0	0	111.2	A57 L58 L59 R63 R64	A57-E61 PolarHBondContact O-N 3.43Å; L58-E61 WeakPolarHBondContact O-CB 3.29Å; L58-E61 PolarHBondContact O-N 2.73Å; L58-E61 VanDerWaalsContact O-N 3.14Å; L59-E61 VanDerWaalsContact C-N 3.34Å; L59-E61 PolarHBondContact O-N 3.4Å; E61-R63 PolarHBondContact O-N 2.77Å; E61-R64 WeakPolarHBondContact O-CB 3.41Å; E61-R64 PolarHBondContact O-N 2.95Å; E61-R64 VanDerWaalsContact O-N 3.11Å
62	R	93.3	Very high	93.5	Very high	7 Å²	7	73.9 Å²	73.9	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-41.7	179.7	-70.7	163.8	59.5	-167.1	-4.1	112.1	L58 L59 R64 L65 W68 E136	L58-R62 WeakPolarHBondContact O-CB 3.26Å; L58-R62 WeakPolarHBondContact O-CD 3.42Å; L58-R62 WeakPolarHBondContact O-CG 3.49Å; L58-R62 PolarHBondContact O-N 3.04Å; L59-R62 PolarHBondContact O-N 3.48Å; R62-R64 PolarHBondContact O-N 2.86Å; R62-R64 VanDerWaalsContact O-N 3.15Å; R62-L65 VanDerWaalsContact O-CB 3.26Å; R62-L65 WeakPolarHBondContact O-CB 3.4Å; R62-L65 WeakPolarHBondContact O-CG 3.35Å; R62-L65 PolarHBondContact O-N 3.25Å; R62-W68 HydrophobicContact CB-CE3 4.33Å; R62-W68 HydrophobicContact CB-CZ3 3.95Å; R62-E136 WeakPolarHBondContact CD-OE2 3.44Å; R62-E136 HydrophobicContact CG-CG 4.5Å; R62-E136 IonicContact NE-OE2 2.74Å; R62-E136 PolarHBondContact NE-OE2 3.13Å; R62-E136 PolarHBondContact NH1-O 3.2Å
63	R	93.6	Very high	93.5	Very high	137 Å²	137	73.9 Å²	73.9	52%	0.517	34%	0.339	S	S	.	.	H	α-helix	trans	-60.3	-22.3	176.2	-76.1	174.1	177.8	-170.2	0.9	113.8	L59 E61 W68	L59-R63 VanDerWaalsContact O-CG 3.31Å; L59-R63 WeakPolarHBondContact O-CG 3.44Å; L59-R63 PolarHBondContact O-N 3.4Å; E61-R63 PolarHBondContact O-N 2.77Å; R63-W68 HydrophobicContact CB-CD2 4.46Å; R63-W68 HydrophobicContact CG-CD2 4.18Å; R63-W68 HydrophobicContact CG-CH2 4.21Å; R63-W68 HydrophobicContact CG-CZ2 3.62Å
64	R	90.5	Very high	93.7	Very high	187 Å²	187	68.8 Å²	68.8	71%	0.706	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-10.4	178.2	-62.5	171.6	-170	177.6	6.7	113	E60 E61 R62	E60-R64 WeakPolarHBondContact O-CG 3.5Å; E60-R64 IonicContact OE2-NH2 3.19Å; E61-R64 WeakPolarHBondContact O-CB 3.41Å; E61-R64 PolarHBondContact O-N 2.95Å; E61-R64 VanDerWaalsContact O-N 3.11Å; R62-R64 PolarHBondContact O-N 2.86Å; R62-R64 VanDerWaalsContact O-N 3.15Å
65	L	89.9	Confident	93.8	Very high	44 Å²	44	63 Å²	63	23%	0.23	28%	0.282	C	S	.	.	S	Bend	trans	-67.3	140.4	-179.7	-66.5	171.5	0	0	0	110.8	R62 V67 W68 Q97	R62-L65 VanDerWaalsContact O-CB 3.26Å; R62-L65 WeakPolarHBondContact O-CB 3.4Å; R62-L65 WeakPolarHBondContact O-CG 3.35Å; R62-L65 PolarHBondContact O-N 3.25Å; L65-V67 VanDerWaalsContact C-N 3.26Å; L65-V67 HydrophobicContact CB-CG2 4.48Å; L65-V67 PolarHBondContact O-N 3.18Å; L65-W68 VanDerWaalsContact O-CB 3.24Å; L65-W68 WeakPolarHBondContact O-CB 3.19Å; L65-W68 PolarHBondContact O-N 2.79Å; L65-Q97 HydrophobicContact CD1-CG 3.71Å
66	P	90	Very high	93.8	Very high	38 Å²	38	65.4 Å²	65.4	25%	0.247	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-54.2	-38.5	-178.1	-28	33.3	0	0	0	114.5	W68 A92	P66-W68 PolarHBondContact O-N 3.25Å; P66-A92 HydrophobicContact CB-CB 4.27Å; P66-A92 WeakPolarHBondContact CD-O 3.3Å; P66-A92 HydrophobicContact CG-CB 4.25Å
67	V	93.3	Very high	93.9	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-66	-22.7	-179.3	-63.8	0	0	0	0	112.8	L65 R69 L70 L86 A88 A92 K94 Q97 W101	L65-V67 VanDerWaalsContact C-N 3.26Å; L65-V67 HydrophobicContact CB-CG2 4.48Å; L65-V67 PolarHBondContact O-N 3.18Å; V67-R69 PolarHBondContact O-N 3.36Å; V67-R69 VanDerWaalsContact O-N 3.08Å; V67-L70 WeakPolarHBondContact O-CA 3.42Å; V67-L70 VanDerWaalsContact O-CB 3.32Å; V67-L70 WeakPolarHBondContact O-CB 3.34Å; V67-L70 PolarHBondContact O-N 3.29Å; V67-L86 HydrophobicContact CG1-CD2 4.35Å; V67-A88 HydrophobicContact CG1-CB 3.92Å; V67-A92 HydrophobicContact CG1-CB 4.09Å; V67-A92 WeakPolarHBondContact CG1-O 3.39Å; V67-A92 WeakPolarHBondContact CG2-O 3.23Å; V67-A92 PolarHBondContact N-O 2.8Å; V67-K94 HydrophobicContact CG1-CG 4.12Å; V67-Q97 HydrophobicContact CG2-CB 4.11Å; V67-Q97 HydrophobicContact CG2-CG 4.13Å; V67-W101 HydrophobicContact CB-CH2 4.04Å; V67-W101 HydrophobicContact CG2-CH2 3.82Å; V67-W101 HydrophobicContact CG2-CZ2 4.44Å; V67-W101 VanDerWaalsContact O-CH2 3.28Å; V67-W101 WeakPolarHBondContact O-CH2 3.34Å
68	W	94.2	Very high	93.9	Very high	49 Å²	49	60.9 Å²	60.9	19%	0.186	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-57.2	-31.5	-175.3	-164.2	-88.1	0	0	0	112.8	L59 R62 R63 L65 P66 L70 R71 W101	L59-W68 HydrophobicContact CD1-CH2 3.93Å; R62-W68 HydrophobicContact CB-CE3 4.33Å; R62-W68 HydrophobicContact CB-CZ3 3.95Å; R63-W68 HydrophobicContact CB-CD2 4.46Å; R63-W68 HydrophobicContact CG-CD2 4.18Å; R63-W68 HydrophobicContact CG-CH2 4.21Å; R63-W68 HydrophobicContact CG-CZ2 3.62Å; L65-W68 VanDerWaalsContact O-CB 3.24Å; L65-W68 WeakPolarHBondContact O-CB 3.19Å; L65-W68 PolarHBondContact O-N 2.79Å; P66-W68 PolarHBondContact O-N 3.25Å; W68-L70 PolarHBondContact O-N 3.21Å; W68-R71 WeakPolarHBondContact O-CB 3.41Å; W68-R71 PolarHBondContact O-N 3.28Å; W68-W101 HydrophobicContact CE3-CZ2 4.09Å
69	R	93.4	Very high	93.9	Very high	191 Å²	191	64.3 Å²	64.3	72%	0.721	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-63.1	-22.8	175.6	-61	-179	-171.7	155.4	4.3	113.6	V67 D243	V67-R69 PolarHBondContact O-N 3.36Å; V67-R69 VanDerWaalsContact O-N 3.08Å; R69-D243 PolarHBondContact NH1-O 3.42Å
70	L	94.8	Very high	93.8	Very high	16 Å²	16	67.2 Å²	67.2	8%	0.084	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-88.3	-9.7	-179.9	-60.1	178.7	0	0	0	113	V67 W68 Q72 S73 F74 L86 L240 P242	V67-L70 WeakPolarHBondContact O-CA 3.42Å; V67-L70 VanDerWaalsContact O-CB 3.32Å; V67-L70 WeakPolarHBondContact O-CB 3.34Å; V67-L70 PolarHBondContact O-N 3.29Å; W68-L70 PolarHBondContact O-N 3.21Å; L70-Q72 PolarHBondContact O-N 3Å; L70-S73 PolarHBondContact O-N 3.24Å; L70-F74 WeakPolarHBondContact O-CB 3.41Å; L70-F74 PolarHBondContact O-N 2.84Å; L70-L86 HydrophobicContact CD1-CD1 4.22Å; L70-L86 HydrophobicContact CD1-CG 4.29Å; L70-L240 HydrophobicContact CD1-CB 4.46Å; L70-P242 HydrophobicContact CD1-CB 4.26Å; L70-P242 HydrophobicContact CG-CB 4.43Å
71	R	95.8	Very high	93.8	Very high	73 Å²	73	64.5 Å²	64.5	28%	0.275	29%	0.292	S	S	.	.	H	α-helix	trans	-52.1	-51.3	-170.4	-178.4	178.4	178.7	-135	6.8	112.8	W68 F74 L75 W101 E104	W68-R71 WeakPolarHBondContact O-CB 3.41Å; W68-R71 PolarHBondContact O-N 3.28Å; R71-F74 PolarHBondContact O-N 3.17Å; R71-L75 HydrophobicContact CG-CD1 4.29Å; R71-L75 WeakPolarHBondContact O-CG 3.21Å; R71-L75 PolarHBondContact O-N 3.24Å; R71-L75 VanDerWaalsContact O-N 3.07Å; R71-W101 HydrophobicContact CB-CD2 4.3Å; R71-W101 HydrophobicContact CB-CE3 4.49Å; R71-W101 HydrophobicContact CB-CH2 4.12Å; R71-W101 HydrophobicContact CB-CZ2 3.87Å; R71-W101 HydrophobicContact CB-CZ3 4.41Å; R71-W101 HydrophobicContact CG-CD2 3.93Å; R71-W101 HydrophobicContact CG-CE3 4.49Å; R71-W101 HydrophobicContact CG-CG 4.15Å; R71-W101 HydrophobicContact CG-CZ2 4.18Å; R71-E104 IonicContact CZ-OE2 3.62Å; R71-E104 IonicContact NE-OE2 2.87Å; R71-E104 PolarHBondContact NE-OE2 3.3Å; R71-E104 IonicContact NH2-OE1 3.27Å; R71-E104 PolarHBondContact NH2-OE1 3.22Å; R71-E104 VanDerWaalsContact NH2-OE1 3.17Å; R71-E104 IonicContact NH2-OE2 2.71Å; R71-E104 PolarHBondContact NH2-OE2 2.94Å
72	Q	95.2	Very high	94.1	Very high	117 Å²	117	62.8 Å²	62.8	55%	0.547	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-52.9	-178.9	179.2	172.5	9.7	0	0	111.5	L24 L70 F74 L75 E76	L24-Q72 HydrophobicContact CD2-CG 4.33Å; L70-Q72 PolarHBondContact O-N 3Å; Q72-F74 PolarHBondContact O-N 3.23Å; Q72-L75 PolarHBondContact O-N 3.04Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.21Å; Q72-E76 PolarHBondContact NE2-OE1 3.41Å; Q72-E76 WeakPolarHBondContact O-CG 3.24Å; Q72-E76 PolarHBondContact O-N 2.97Å; Q72-E76 VanDerWaalsContact O-N 3.07Å
73	S	95.8	Very high	94.3	Very high	39 Å²	39	63 Å²	63	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-36.3	178.9	-172.2	0	0	0	0	112.1	L70 E76 H77	L70-S73 PolarHBondContact O-N 3.24Å; S73-E76 PolarHBondContact O-N 2.88Å; S73-H77 PolarHBondContact O-N 3.08Å; S73-H77 PolarHBondContact O-ND1 3.39Å; S73-H77 PolarHBondContact OG-CE1 3.3Å; S73-H77 PolarHBondContact OG-ND1 2.83Å
74	F	97	Very high	94.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-47.6	176.5	171.8	-99.3	0	0	0	112.1	L70 R71 Q72 H77 L78 V84 L86 V98 W101 V218 L240	L70-F74 WeakPolarHBondContact O-CB 3.41Å; L70-F74 PolarHBondContact O-N 2.84Å; R71-F74 PolarHBondContact O-N 3.17Å; Q72-F74 PolarHBondContact O-N 3.23Å; F74-H77 PolarHBondContact O-N 3.49Å; F74-L78 HydrophobicContact CD1-CD1 4.04Å; F74-L78 HydrophobicContact CE1-CD1 3.33Å; F74-L78 HydrophobicContact CE1-CG 4.11Å; F74-L78 HydrophobicContact CE2-CD1 4.29Å; F74-L78 HydrophobicContact CE2-CG 4.29Å; F74-L78 HydrophobicContact CZ-CD1 3.48Å; F74-L78 VanDerWaalsContact CZ-CD1 3.48Å; F74-L78 HydrophobicContact CZ-CD2 4.39Å; F74-L78 HydrophobicContact CZ-CG 3.96Å; F74-L78 PolarHBondContact O-N 2.82Å; F74-V84 HydrophobicContact CD2-CG1 4.19Å; F74-V84 HydrophobicContact CE2-CG1 4.34Å; F74-L86 HydrophobicContact CD2-CD1 4.13Å; F74-V98 HydrophobicContact CE1-CG1 4.02Å; F74-V98 HydrophobicContact CE2-CG1 3.87Å; F74-V98 HydrophobicContact CZ-CG1 3.45Å; F74-V98 VanDerWaalsContact CZ-CG1 3.45Å; F74-W101 HydrophobicContact CD1-CB 4.2Å; F74-W101 AromaticContact CD1-CE3 3.79Å; F74-W101 HydrophobicContact CD1-CE3 3.79Å; F74-W101 HydrophobicContact CE1-CB 3.96Å; F74-W101 HydrophobicContact CE1-CE3 4.19Å; F74-W101 HydrophobicContact CG-CE3 4.28Å; F74-V218 HydrophobicContact CE2-CG1 3.77Å; F74-V218 HydrophobicContact CE2-CG2 4Å; F74-V218 HydrophobicContact CZ-CG1 4.03Å; F74-V218 HydrophobicContact CZ-CG2 3.79Å; F74-L240 HydrophobicContact CB-CD1 3.98Å; F74-L240 HydrophobicContact CD2-CD1 4.16Å
75	L	96.4	Very high	94.8	Very high	18 Å²	18	47.6 Å²	47.6	9%	0.094	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-42.6	177.7	-67.4	171.9	0	0	0	111.7	L24 R71 Q72 H77 L78 E79 W101 F105	L24-L75 HydrophobicContact CD2-CD1 4.24Å; R71-L75 HydrophobicContact CG-CD1 4.29Å; R71-L75 WeakPolarHBondContact O-CG 3.21Å; R71-L75 PolarHBondContact O-N 3.24Å; R71-L75 VanDerWaalsContact O-N 3.07Å; Q72-L75 PolarHBondContact O-N 3.04Å; L75-H77 VanDerWaalsContact C-N 3.31Å; L75-H77 PolarHBondContact O-N 3.09Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 PolarHBondContact O-N 3.34Å; L75-L78 VanDerWaalsContact O-N 3.17Å; L75-E79 PolarHBondContact O-N 3.09Å; L75-E79 VanDerWaalsContact O-N 3.16Å; L75-W101 HydrophobicContact CD2-CB 4.42Å; L75-F105 HydrophobicContact CD2-CB 4.03Å; L75-F105 HydrophobicContact CD2-CD2 4.4Å
76	E	95.8	Very high	95.2	Very high	84 Å²	84	45.5 Å²	45.5	39%	0.393	22%	0.222	S	C	.	.	H	α-helix	trans	-59.8	-39	175.2	-69.7	169.5	-177.4	0	0	112.4	Q72 S73 S80	Q72-E76 WeakPolarHBondContact CG-OE1 3.21Å; Q72-E76 PolarHBondContact NE2-OE1 3.41Å; Q72-E76 WeakPolarHBondContact O-CG 3.24Å; Q72-E76 PolarHBondContact O-N 2.97Å; Q72-E76 VanDerWaalsContact O-N 3.07Å; S73-E76 PolarHBondContact O-N 2.88Å; E76-S80 PolarHBondContact O-N 3.3Å; E76-S80 PolarHBondContact O-OG 2.8Å
77	H	96	Very high	95.5	Very high	48 Å²	48	43.8 Å²	43.8	22%	0.222	21%	0.211	C	C	.	.	H	α-helix	trans	-72.7	-33.2	176.4	-75.3	90.4	0	0	0	112.5	S73 F74 L75 E79 S80 H81 V84 P238	S73-H77 PolarHBondContact O-N 3.08Å; S73-H77 PolarHBondContact O-ND1 3.39Å; S73-H77 PolarHBondContact OG-CE1 3.3Å; S73-H77 PolarHBondContact OG-ND1 2.83Å; F74-H77 PolarHBondContact O-N 3.49Å; L75-H77 VanDerWaalsContact C-N 3.31Å; L75-H77 PolarHBondContact O-N 3.09Å; H77-E79 VanDerWaalsContact C-N 3.32Å; H77-E79 PolarHBondContact O-N 3.26Å; H77-S80 PolarHBondContact O-N 3.19Å; H77-S80 PolarHBondContact O-OG 3.14Å; H77-H81 AromaticContact CD2-CE1 3.73Å; H77-H81 AromaticContact CD2-ND1 3.8Å; H77-H81 WeakPolarHBondContact O-CB 3.32Å; H77-H81 PolarHBondContact O-N 3.3Å; H77-H81 PolarHBondContact O-ND1 3.13Å; H77-V84 HydrophobicContact CB-CG2 3.98Å; H77-P238 HydrophobicContact CB-CG 4.15Å; H77-P238 WeakPolarHBondContact CD2-CB 3.32Å
78	L	94.9	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-32.6	174.8	-82	-177.5	0	0	0	113.3	F74 L75 V84 F105 L184 R216 V218	F74-L78 HydrophobicContact CD1-CD1 4.04Å; F74-L78 HydrophobicContact CE1-CD1 3.33Å; F74-L78 HydrophobicContact CE1-CG 4.11Å; F74-L78 HydrophobicContact CE2-CD1 4.29Å; F74-L78 HydrophobicContact CE2-CG 4.29Å; F74-L78 HydrophobicContact CZ-CD1 3.48Å; F74-L78 VanDerWaalsContact CZ-CD1 3.48Å; F74-L78 HydrophobicContact CZ-CD2 4.39Å; F74-L78 HydrophobicContact CZ-CG 3.96Å; F74-L78 PolarHBondContact O-N 2.82Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 PolarHBondContact O-N 3.34Å; L75-L78 VanDerWaalsContact O-N 3.17Å; L78-V84 HydrophobicContact CD2-CG2 4.07Å; L78-F105 HydrophobicContact CB-CD2 4.21Å; L78-F105 HydrophobicContact CB-CE2 4.02Å; L78-F105 HydrophobicContact CB-CZ 4.18Å; L78-F105 HydrophobicContact CD1-CB 4.37Å; L78-F105 HydrophobicContact CD1-CD1 4.47Å; L78-F105 HydrophobicContact CD1-CG 4.2Å; L78-L184 HydrophobicContact CD1-CD2 4.04Å; L78-L184 HydrophobicContact CD2-CD2 4.17Å; L78-R216 HydrophobicContact CD2-CB 4.24Å; L78-R216 WeakPolarHBondContact O-CD 3.47Å; L78-R216 PolarHBondContact O-NE 3.18Å; L78-V218 HydrophobicContact CD2-CG2 3.75Å
79	E	93.1	Very high	95.1	Very high	84 Å²	84	42 Å²	42	39%	0.393	21%	0.206	S	C	.	.	H	α-helix	trans	-64.3	-44.5	173.5	-70.8	-177.5	168.4	0	0	111.5	V20 L75 H77 F105 R216	V20-E79 WeakPolarHBondContact CB-OE1 3.5Å; V20-E79 WeakPolarHBondContact CG1-OE1 3.28Å; V20-E79 WeakPolarHBondContact CG2-OE1 3.36Å; L75-E79 PolarHBondContact O-N 3.09Å; L75-E79 VanDerWaalsContact O-N 3.16Å; H77-E79 VanDerWaalsContact C-N 3.32Å; H77-E79 PolarHBondContact O-N 3.26Å; E79-F105 HydrophobicContact CG-CE2 3.74Å; E79-F105 HydrophobicContact CG-CZ 4.47Å; E79-R216 PolarHBondContact O-NH2 3.01Å
80	S	92.6	Very high	94.6	Very high	79 Å²	79	33.7 Å²	33.7	55%	0.552	18%	0.177	S	C	*	.	H	α-helix	trans	-94.7	-18.8	-167.2	50.5	0	0	0	0	115	E76 H77	E76-S80 PolarHBondContact O-N 3.3Å; E76-S80 PolarHBondContact O-OG 2.8Å; H77-S80 PolarHBondContact O-N 3.19Å; H77-S80 PolarHBondContact O-OG 3.14Å
81	H	95	Very high	94	Very high	60 Å²	60	36.4 Å²	36.4	28%	0.278	21%	0.208	S	C	.	.			trans	-127.8	141	-174.6	-57.1	79.7	0	0	0	111.7	H77 M83 R216 A236 P238	H77-H81 AromaticContact CD2-CE1 3.73Å; H77-H81 AromaticContact CD2-ND1 3.8Å; H77-H81 WeakPolarHBondContact O-CB 3.32Å; H77-H81 PolarHBondContact O-N 3.3Å; H77-H81 PolarHBondContact O-ND1 3.13Å; H81-M83 PolarHBondContact O-N 2.93Å; H81-R216 WeakPolarHBondContact O-CD 3.45Å; H81-R216 PolarHBondContact O-NE 3.34Å; H81-A236 PolarHBondContact CD2-O 2.97Å; H81-P238 HydrophobicContact CB-CG 4.11Å
82	S	94.9	Very high	93.7	Very high	47 Å²	47	33.1 Å²	33.1	33%	0.329	20%	0.196	S	C	.	.	S	Bend	trans	-70	-22.3	177.3	-24.1	0	0	0	0	112.9	R216 V217	S82-R216 CarbonylContact O-C 3.52Å; S82-R216 VanDerWaalsContact O-CA 3.32Å; S82-R216 WeakPolarHBondContact O-CA 3.4Å; S82-V217 PolarHBondContact O-N 3.33Å
83	M	97	Very high	93.5	Very high	11 Å²	11	27.9 Å²	27.9	5%	0.054	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	142.6	-176.9	-171.7	176	-75.5	0	0	110.3	H81 V217 L219 L233 V237 P238	H81-M83 PolarHBondContact O-N 2.93Å; M83-V217 CarbonylContact C-O 3.58Å; M83-V217 WeakPolarHBondContact CA-O 3.42Å; M83-V217 HydrophobicContact CB-CB 4.47Å; M83-V217 HydrophobicContact CE-CB 3.8Å; M83-V217 HydrophobicContact CE-CG1 3.81Å; M83-V217 HydrophobicContact CE-CG2 4.25Å; M83-V217 HydrophobicContact CG-CB 4.09Å; M83-V217 HydrophobicContact CG-CG1 4.29Å; M83-L219 HydrophobicContact CG-CD1 4.11Å; M83-L219 HydrophobicContact CG-CG 4.26Å; M83-L219 HydrophobicContact SD-CD1 3.66Å; M83-L219 HydrophobicContact SD-CG 4.29Å; M83-L233 HydrophobicContact SD-CD1 4.37Å; M83-L233 HydrophobicContact SD-CD2 3.56Å; M83-L233 VanDerWaalsContact SD-CD2 3.56Å; M83-V237 HydrophobicContact CB-CG1 4.26Å; M83-V237 HydrophobicContact CB-CG2 4.14Å; M83-V237 HydrophobicContact CG-CG1 4.06Å; M83-V237 HydrophobicContact CG-CG2 4.41Å; M83-V237 HydrophobicContact SD-CG2 4.29Å; M83-P238 WeakPolarHBondContact O-CD 3.36Å
84	V	97.9	Very high	93.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.2	178.1	-179	0	0	0	0	109.6	F74 H77 L78 V217 L219 P238 L240	F74-V84 HydrophobicContact CD2-CG1 4.19Å; F74-V84 HydrophobicContact CE2-CG1 4.34Å; H77-V84 HydrophobicContact CB-CG2 3.98Å; L78-V84 HydrophobicContact CD2-CG2 4.07Å; V84-V217 PolarHBondContact N-O 3.4Å; V84-L219 PolarHBondContact O-N 3.22Å; V84-P238 HydrophobicContact CB-CG 4.43Å; V84-P238 HydrophobicContact CG1-CG 4.32Å; V84-P238 HydrophobicContact CG2-CG 4.01Å; V84-L240 HydrophobicContact CG1-CD1 3.84Å; V84-L240 HydrophobicContact CG1-CG 4.23Å
85	L	98.3	Very high	93.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.3	172.5	174	63.4	0	0	0	109.7	L219 A221 A226 L229 A230 V237 P238 H239 L240	L85-L219 HydrophobicContact CD1-CB 3.85Å; L85-A221 HydrophobicContact CD1-CB 4.22Å; L85-A226 HydrophobicContact CD2-CB 4.45Å; L85-L229 HydrophobicContact CD1-CB 4.36Å; L85-L229 HydrophobicContact CD1-CD1 4Å; L85-L229 HydrophobicContact CD2-CB 3.93Å; L85-A230 HydrophobicContact CD2-CB 4.21Å; L85-V237 HydrophobicContact CB-CG1 4.37Å; L85-P238 PolarHBondContact N-O 2.73Å; L85-H239 HydrophobicContact CD2-CB 4.44Å; L85-H239 CarbonylContact O-C 3.56Å; L85-H239 WeakPolarHBondContact O-CA 3.36Å; L85-L240 PolarHBondContact O-N 3.04Å
86	L	97.8	Very high	93.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.4	173	-172.3	156.3	0	0	0	109.7	V67 L70 F74 A88 K94 V98 L219 L220 A221 L240	V67-L86 HydrophobicContact CG1-CD2 4.35Å; L70-L86 HydrophobicContact CD1-CD1 4.22Å; L70-L86 HydrophobicContact CD1-CG 4.29Å; F74-L86 HydrophobicContact CD2-CD1 4.13Å; L86-A88 HydrophobicContact CD2-CB 4.49Å; L86-K94 HydrophobicContact CD2-CD 4.17Å; L86-K94 HydrophobicContact CD2-CG 4.02Å; L86-V98 HydrophobicContact CD1-CG2 3.91Å; L86-L219 PolarHBondContact N-O 3.42Å; L86-L220 HydrophobicContact CB-CD2 3.89Å; L86-L220 HydrophobicContact CD2-CD2 4.23Å; L86-L220 HydrophobicContact CG-CD2 4.5Å; L86-L220 WeakPolarHBondContact O-CA 3.15Å; L86-A221 PolarHBondContact O-N 3.19Å; L86-A221 VanDerWaalsContact O-N 3.08Å; L86-L240 WeakPolarHBondContact CA-O 3.14Å
87	S	95.8	Very high	93.3	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.6	176.5	74.4	0	0	0	0	112.6	A221 H239 L240 P242	S87-A221 VanDerWaalsContact CA-O 3.24Å; S87-A221 WeakPolarHBondContact CA-O 3.46Å; S87-H239 PolarHBondContact OG-NE2 2.8Å; S87-L240 PolarHBondContact N-O 2.96Å; S87-P242 WeakPolarHBondContact O-CD 3.36Å
88	A	92	Very high	93.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	14%	0.137	C	C	.	.			trans	-157.5	155.9	172.6	0	0	0	0	0	111.3	V67 L86 A92 K94 A221 P223 P242	V67-A88 HydrophobicContact CG1-CB 3.92Å; L86-A88 HydrophobicContact CD2-CB 4.49Å; A88-A92 HydrophobicContact CB-CB 3.72Å; A88-K94 HydrophobicContact CB-CD 3.9Å; A88-K94 HydrophobicContact CB-CG 3.88Å; A88-K94 WeakPolarHBondContact O-CD 3.24Å; A88-K94 WeakPolarHBondContact O-CE 3.33Å; A88-K94 PolarHBondContact O-NZ 3.12Å; A88-A221 PolarHBondContact N-O 3.01Å; A88-P223 VanDerWaalsContact C-CD 3.44Å; A88-P223 WeakPolarHBondContact O-CD 3.39Å; A88-P242 HydrophobicContact CB-CG 4.07Å
89	P	86.8	Confident	93.5	Very high	12 Å²	12	20.5 Å²	20.5	8%	0.078	14%	0.137	C	C	.	.			trans	-58.3	169.6	176.1	-23.9	34	0	0	0	113.7	A92 K94 P223 E246	P89-A92 WeakPolarHBondContact O-CB 3.25Å; P89-A92 PolarHBondContact O-N 2.94Å; P89-K94 PolarHBondContact O-NZ 3.05Å; P89-K94 VanDerWaalsContact O-NZ 3.09Å; P89-P223 HydrophobicContact CG-CG 4.41Å; P89-E246 HydrophobicContact CG-CB 3.97Å; P89-E246 HydrophobicContact CG-CG 4.03Å
90	S	84.2	Confident	93.7	Very high	16 Å²	16	16.7 Å²	16.7	11%	0.112	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	146.1	175.1	-70.3	0	0	0	0	112.1	A92 M411 Q414	S90-A92 PolarHBondContact O-N 3.19Å; S90-M411 WeakPolarHBondContact OG-CE 3.43Å; S90-M411 PolarHBondContact OG-SD 3.44Å; S90-Q414 VanDerWaalsContact CB-OE1 3.31Å; S90-Q414 VanDerWaalsContact N-OE1 3.08Å
91	G	82.6	Confident	93.9	Very high	72 Å²	72	12.9 Å²	12.9	74%	0.742	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	2	-172.6	0	0	0	0	0	114.4	G93	G91-G93 PolarHBondContact O-N 3.3Å
92	A	88.3	Confident	94.1	Very high	4 Å²	4	10 Å²	10	3%	0.033	8%	0.08	C	C	.	.	S	Bend	trans	-72.8	-10.4	177.9	0	0	0	0	0	114	P66 V67 A88 P89 S90	P66-A92 HydrophobicContact CB-CB 4.27Å; P66-A92 WeakPolarHBondContact CD-O 3.3Å; P66-A92 HydrophobicContact CG-CB 4.25Å; V67-A92 HydrophobicContact CG1-CB 4.09Å; V67-A92 WeakPolarHBondContact CG1-O 3.39Å; V67-A92 WeakPolarHBondContact CG2-O 3.23Å; V67-A92 PolarHBondContact N-O 2.8Å; A88-A92 HydrophobicContact CB-CB 3.72Å; P89-A92 WeakPolarHBondContact O-CB 3.25Å; P89-A92 PolarHBondContact O-N 2.94Å; S90-A92 PolarHBondContact O-N 3.19Å
93	G	90.4	Very high	94.2	Very high	8 Å²	8	7.9 Å²	7.9	8%	0.082	6%	0.064	C	C	.	.	S	Bend	trans	100.8	9.4	179.9	0	0	0	0	0	116.2	G91 Q97	G91-G93 PolarHBondContact O-N 3.3Å; G93-Q97 VanDerWaalsContact O-CB 3.3Å; G93-Q97 WeakPolarHBondContact O-CB 3.42Å; G93-Q97 WeakPolarHBondContact O-CG 3.44Å; G93-Q97 PolarHBondContact O-N 2.84Å
94	K	93.9	Very high	94.2	Very high	7 Å²	7	9.3 Å²	9.3	3%	0.03	7%	0.071	C	C	.	.	I	π-helix	trans	-53.7	-61.4	-176.5	-58.8	-170.7	-59.1	-69	0	112.6	V67 L86 A88 P89 T96 V98 L220	V67-K94 HydrophobicContact CG1-CG 4.12Å; L86-K94 HydrophobicContact CD2-CD 4.17Å; L86-K94 HydrophobicContact CD2-CG 4.02Å; A88-K94 HydrophobicContact CB-CD 3.9Å; A88-K94 HydrophobicContact CB-CG 3.88Å; A88-K94 WeakPolarHBondContact O-CD 3.24Å; A88-K94 WeakPolarHBondContact O-CE 3.33Å; A88-K94 PolarHBondContact O-NZ 3.12Å; P89-K94 PolarHBondContact O-NZ 3.05Å; P89-K94 VanDerWaalsContact O-NZ 3.09Å; K94-T96 VanDerWaalsContact C-N 3.32Å; K94-T96 PolarHBondContact O-N 3.44Å; K94-V98 VanDerWaalsContact O-CB 3.26Å; K94-V98 WeakPolarHBondContact O-CB 3.35Å; K94-V98 VanDerWaalsContact O-CG2 3.27Å; K94-V98 WeakPolarHBondContact O-CG2 3.33Å; K94-V98 PolarHBondContact O-N 3.18Å; K94-V98 VanDerWaalsContact O-N 3.1Å; K94-L220 HydrophobicContact CB-CD1 4.29Å
95	S	94.8	Very high	94.1	Very high	11 Å²	11	9.6 Å²	9.6	8%	0.077	7%	0.073	C	C	.	.	I	π-helix	trans	-64.4	-32.5	-172.2	-46	0	0	0	0	113.9	D188 S370	S95-D188 WeakPolarHBondContact CA-OD2 3.48Å; S95-D188 WeakPolarHBondContact CB-OD2 3.32Å; S95-D188 PolarHBondContact OG-OD2 3.4Å; S95-S370 PolarHBondContact OG-OG 2.97Å
96	T	95.3	Very high	94	Very high	14 Å²	14	9.6 Å²	9.6	9%	0.086	7%	0.072	C	C	.	.	I	π-helix	trans	-88.1	-48.2	-178.7	51.6	0	0	0	0	112.1	K94 Q100 L129 R132 V133	K94-T96 VanDerWaalsContact C-N 3.32Å; K94-T96 PolarHBondContact O-N 3.44Å; T96-Q100 WeakPolarHBondContact O-CG 3.43Å; T96-Q100 PolarHBondContact O-NE2 2.87Å; T96-L129 HydrophobicContact CG2-CD2 3.8Å; T96-R132 HydrophobicContact CG2-CG 4.02Å; T96-V133 HydrophobicContact CG2-CG2 4.18Å
97	Q	96.9	Very high	93.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	9%	0.086	C	C	.	.	I	π-helix	trans	-82	-39.8	-170.8	-53.5	-45.8	-68.9	0	0	112.7	L65 V67 G93 A99 Q100 W101 E136	L65-Q97 HydrophobicContact CD1-CG 3.71Å; V67-Q97 HydrophobicContact CG2-CB 4.11Å; V67-Q97 HydrophobicContact CG2-CG 4.13Å; G93-Q97 VanDerWaalsContact O-CB 3.3Å; G93-Q97 WeakPolarHBondContact O-CB 3.42Å; G93-Q97 WeakPolarHBondContact O-CG 3.44Å; G93-Q97 PolarHBondContact O-N 2.84Å; Q97-A99 VanDerWaalsContact C-N 3.33Å; Q97-A99 PolarHBondContact O-N 3.44Å; Q97-Q100 WeakPolarHBondContact O-CB 3.44Å; Q97-Q100 PolarHBondContact O-N 3.31Å; Q97-W101 HydrophobicContact CB-CH2 4.08Å; Q97-W101 HydrophobicContact CB-CZ2 3.59Å; Q97-W101 HydrophobicContact CG-CZ2 4.47Å; Q97-W101 VanDerWaalsContact O-CG 3.24Å; Q97-W101 PolarHBondContact O-N 3Å; Q97-E136 PolarHBondContact NE2-OE2 3.3Å
98	V	97.8	Very high	93.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-68.1	-36.8	-174.6	-177.7	0	0	0	0	111.4	F74 L86 K94 Q100 W101 C102 V218 L220	F74-V98 HydrophobicContact CE1-CG1 4.02Å; F74-V98 HydrophobicContact CE2-CG1 3.87Å; F74-V98 HydrophobicContact CZ-CG1 3.45Å; F74-V98 VanDerWaalsContact CZ-CG1 3.45Å; L86-V98 HydrophobicContact CD1-CG2 3.91Å; K94-V98 VanDerWaalsContact O-CB 3.26Å; K94-V98 WeakPolarHBondContact O-CB 3.35Å; K94-V98 VanDerWaalsContact O-CG2 3.27Å; K94-V98 WeakPolarHBondContact O-CG2 3.33Å; K94-V98 PolarHBondContact O-N 3.18Å; K94-V98 VanDerWaalsContact O-N 3.1Å; V98-Q100 VanDerWaalsContact C-N 3.32Å; V98-Q100 PolarHBondContact O-N 3.15Å; V98-W101 HydrophobicContact CB-CE3 4.37Å; V98-W101 HydrophobicContact CG2-CE3 4.02Å; V98-W101 HydrophobicContact CG2-CZ3 3.85Å; V98-W101 PolarHBondContact O-N 3.01Å; V98-C102 PolarHBondContact O-N 3.39Å; V98-C102 PolarHBondContact O-SG 2.62Å; V98-V218 HydrophobicContact CG1-CG1 3.83Å; V98-L220 HydrophobicContact CB-CD1 4.17Å; V98-L220 HydrophobicContact CB-CD2 4.13Å; V98-L220 HydrophobicContact CG1-CD1 4.48Å; V98-L220 HydrophobicContact CG1-CD2 3.91Å; V98-L220 HydrophobicContact CG2-CD2 4.03Å
99	A	97.3	Very high	93.7	Very high	1 Å²	1	17 Å²	17	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-59	-43.7	173.7	0	0	0	0	0	111.5	Q97 C102 V103 L161 F163	Q97-A99 VanDerWaalsContact C-N 3.33Å; Q97-A99 PolarHBondContact O-N 3.44Å; A99-C102 WeakPolarHBondContact O-CB 3.3Å; A99-C102 PolarHBondContact O-N 3.18Å; A99-V103 WeakPolarHBondContact O-CG2 3.45Å; A99-V103 PolarHBondContact O-N 2.8Å; A99-V103 VanDerWaalsContact O-N 3.12Å; A99-L161 HydrophobicContact CB-CD1 4.23Å; A99-L161 HydrophobicContact CB-CD2 4.12Å; A99-F163 HydrophobicContact CB-CE1 4.33Å; A99-F163 HydrophobicContact CB-CZ 3.96Å
100	Q	97.9	Very high	94	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.019	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-42.3	176.6	-68	175.9	69.9	0	0	112	T96 Q97 V98 C102 V103 E104 V133 E136 M137	T96-Q100 WeakPolarHBondContact O-CG 3.43Å; T96-Q100 PolarHBondContact O-NE2 2.87Å; Q97-Q100 WeakPolarHBondContact O-CB 3.44Å; Q97-Q100 PolarHBondContact O-N 3.31Å; V98-Q100 VanDerWaalsContact C-N 3.32Å; V98-Q100 PolarHBondContact O-N 3.15Å; Q100-C102 VanDerWaalsContact C-N 3.27Å; Q100-C102 PolarHBondContact O-N 2.78Å; Q100-V103 WeakPolarHBondContact O-CB 3.39Å; Q100-V103 PolarHBondContact O-N 3.3Å; Q100-E104 WeakPolarHBondContact O-CG 3.48Å; Q100-E104 PolarHBondContact O-N 3.42Å; Q100-V133 HydrophobicContact CG-CG1 3.68Å; Q100-E136 PolarHBondContact NE2-OE2 2.94Å; Q100-M137 HydrophobicContact CG-CG 3.87Å; Q100-M137 HydrophobicContact CG-SD 3.81Å
101	W	98.1	Very high	94.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.2	-31.6	176.1	-54.4	-24.3	0	0	0	112.7	V67 W68 R71 F74 L75 Q97 V98 V103 E104 F105	V67-W101 HydrophobicContact CB-CH2 4.04Å; V67-W101 HydrophobicContact CG2-CH2 3.82Å; V67-W101 HydrophobicContact CG2-CZ2 4.44Å; V67-W101 VanDerWaalsContact O-CH2 3.28Å; V67-W101 WeakPolarHBondContact O-CH2 3.34Å; W68-W101 HydrophobicContact CE3-CZ2 4.09Å; R71-W101 HydrophobicContact CB-CD2 4.3Å; R71-W101 HydrophobicContact CB-CE3 4.49Å; R71-W101 HydrophobicContact CB-CH2 4.12Å; R71-W101 HydrophobicContact CB-CZ2 3.87Å; R71-W101 HydrophobicContact CB-CZ3 4.41Å; R71-W101 HydrophobicContact CG-CD2 3.93Å; R71-W101 HydrophobicContact CG-CE3 4.49Å; R71-W101 HydrophobicContact CG-CG 4.15Å; R71-W101 HydrophobicContact CG-CZ2 4.18Å; F74-W101 HydrophobicContact CD1-CB 4.2Å; F74-W101 AromaticContact CD1-CE3 3.79Å; F74-W101 HydrophobicContact CD1-CE3 3.79Å; F74-W101 HydrophobicContact CE1-CB 3.96Å; F74-W101 HydrophobicContact CE1-CE3 4.19Å; F74-W101 HydrophobicContact CG-CE3 4.28Å; L75-W101 HydrophobicContact CD2-CB 4.42Å; Q97-W101 HydrophobicContact CB-CH2 4.08Å; Q97-W101 HydrophobicContact CB-CZ2 3.59Å; Q97-W101 HydrophobicContact CG-CZ2 4.47Å; Q97-W101 VanDerWaalsContact O-CG 3.24Å; Q97-W101 PolarHBondContact O-N 3Å; V98-W101 HydrophobicContact CB-CE3 4.37Å; V98-W101 HydrophobicContact CG2-CE3 4.02Å; V98-W101 HydrophobicContact CG2-CZ3 3.85Å; V98-W101 PolarHBondContact O-N 3.01Å; W101-V103 VanDerWaalsContact C-N 3.33Å; W101-E104 PolarHBondContact O-N 2.88Å; W101-F105 WeakPolarHBondContact O-CB 3.49Å; W101-F105 PolarHBondContact O-N 3.48Å
102	C	98.1	Very high	94.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-37.4	171.9	-65	0	0	0	0	111.5	V98 A99 Q100 F105 A106 V116 L184 V186	V98-C102 PolarHBondContact O-N 3.39Å; V98-C102 PolarHBondContact O-SG 2.62Å; A99-C102 WeakPolarHBondContact O-CB 3.3Å; A99-C102 PolarHBondContact O-N 3.18Å; Q100-C102 VanDerWaalsContact C-N 3.27Å; Q100-C102 PolarHBondContact O-N 2.78Å; C102-F105 PolarHBondContact O-N 3.02Å; C102-A106 WeakPolarHBondContact O-CB 3.43Å; C102-A106 PolarHBondContact O-N 3.2Å; C102-V116 HydrophobicContact CB-CG1 3.73Å; C102-V116 HydrophobicContact CB-CG2 4.37Å; C102-L184 HydrophobicContact CB-CB 4.43Å; C102-L184 HydrophobicContact CB-CD2 4.01Å; C102-V186 HydrophobicContact CB-CG2 4.48Å
103	V	97.4	Very high	94.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-45.4	174	178.9	0	0	0	0	110.8	Y46 A99 Q100 W101 F105 A106 L107 F111 V116 M137 L161	Y46-V103 HydrophobicContact CD1-CG1 4.47Å; Y46-V103 HydrophobicContact CE1-CG1 3.62Å; A99-V103 WeakPolarHBondContact O-CG2 3.45Å; A99-V103 PolarHBondContact O-N 2.8Å; A99-V103 VanDerWaalsContact O-N 3.12Å; Q100-V103 WeakPolarHBondContact O-CB 3.39Å; Q100-V103 PolarHBondContact O-N 3.3Å; W101-V103 VanDerWaalsContact C-N 3.33Å; V103-F105 VanDerWaalsContact C-N 3.29Å; V103-F105 PolarHBondContact O-N 2.77Å; V103-A106 PolarHBondContact O-N 3.29Å; V103-L107 WeakPolarHBondContact O-CB 3.31Å; V103-L107 PolarHBondContact O-N 3.15Å; V103-F111 HydrophobicContact CG1-CE1 4.4Å; V103-F111 HydrophobicContact CG1-CZ 4.04Å; V103-V116 HydrophobicContact CG2-CB 4.14Å; V103-V116 HydrophobicContact CG2-CG1 4.42Å; V103-V116 HydrophobicContact CG2-CG2 4.02Å; V103-M137 HydrophobicContact CG1-CE 4.21Å; V103-L161 HydrophobicContact CG2-CB 3.71Å; V103-L161 HydrophobicContact CG2-CD1 4.16Å; V103-L161 HydrophobicContact CG2-CD2 4.01Å; V103-L161 HydrophobicContact CG2-CG 4.17Å
104	E	96.1	Very high	94.5	Very high	42 Å²	42	28.8 Å²	28.8	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-57.1	-43.6	174.7	-68.4	171.2	178.6	0	0	111.5	R71 Q100 W101 L107 S108	R71-E104 IonicContact CZ-OE2 3.62Å; R71-E104 IonicContact NE-OE2 2.87Å; R71-E104 PolarHBondContact NE-OE2 3.3Å; R71-E104 IonicContact NH2-OE1 3.27Å; R71-E104 PolarHBondContact NH2-OE1 3.22Å; R71-E104 VanDerWaalsContact NH2-OE1 3.17Å; R71-E104 IonicContact NH2-OE2 2.71Å; R71-E104 PolarHBondContact NH2-OE2 2.94Å; Q100-E104 WeakPolarHBondContact O-CG 3.48Å; Q100-E104 PolarHBondContact O-N 3.42Å; W101-E104 PolarHBondContact O-N 2.88Å; E104-L107 PolarHBondContact O-N 2.72Å; E104-S108 PolarHBondContact O-N 2.88Å; E104-S108 VanDerWaalsContact O-N 3.11Å
105	F	96.3	Very high	94.6	Very high	6 Å²	6	30 Å²	30	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-47.3	175.4	-178.5	-97.6	0	0	0	111.6	L75 L78 E79 W101 C102 V103 L107 S108 F109 H183 L184 R216	L75-F105 HydrophobicContact CD2-CB 4.03Å; L75-F105 HydrophobicContact CD2-CD2 4.4Å; L78-F105 HydrophobicContact CB-CD2 4.21Å; L78-F105 HydrophobicContact CB-CE2 4.02Å; L78-F105 HydrophobicContact CB-CZ 4.18Å; L78-F105 HydrophobicContact CD1-CB 4.37Å; L78-F105 HydrophobicContact CD1-CD1 4.47Å; L78-F105 HydrophobicContact CD1-CG 4.2Å; E79-F105 HydrophobicContact CG-CE2 3.74Å; E79-F105 HydrophobicContact CG-CZ 4.47Å; W101-F105 WeakPolarHBondContact O-CB 3.49Å; W101-F105 PolarHBondContact O-N 3.48Å; C102-F105 PolarHBondContact O-N 3.02Å; V103-F105 VanDerWaalsContact C-N 3.29Å; V103-F105 PolarHBondContact O-N 2.77Å; F105-L107 VanDerWaalsContact C-N 3.32Å; F105-L107 PolarHBondContact O-N 2.82Å; F105-S108 WeakPolarHBondContact O-CB 3.35Å; F105-S108 PolarHBondContact O-N 2.9Å; F105-S108 PolarHBondContact O-OG 3Å; F105-F109 HydrophobicContact CD2-CE2 4.48Å; F105-F109 HydrophobicContact CE1-CD2 4.43Å; F105-F109 HydrophobicContact CE1-CE2 4.03Å; F105-F109 AromaticContact CE2-CE2 3.9Å; F105-F109 HydrophobicContact CE2-CE2 3.9Å; F105-F109 HydrophobicContact CZ-CD2 4.47Å; F105-F109 AromaticContact CZ-CE2 3.65Å; F105-F109 HydrophobicContact CZ-CE2 3.65Å; F105-F109 HydrophobicContact CZ-CZ 4.39Å; F105-F109 WeakPolarHBondContact O-CD2 3.21Å; F105-H183 AromaticContact CD1-CE1 3.93Å; F105-H183 AromaticContact CE1-CE1 3.59Å; F105-H183 AromaticContact CE1-NE2 3.91Å; F105-L184 HydrophobicContact CD1-CD1 3.91Å; F105-L184 HydrophobicContact CD1-CD2 3.97Å; F105-L184 HydrophobicContact CD1-CG 4.46Å; F105-R216 HydrophobicContact CE1-CG 4.33Å
106	A	95.4	Very high	94.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-37.4	177.4	0	0	0	0	0	112.8	C102 V103 S108 F109 E110 F111 V116 L184	C102-A106 WeakPolarHBondContact O-CB 3.43Å; C102-A106 PolarHBondContact O-N 3.2Å; V103-A106 PolarHBondContact O-N 3.29Å; A106-S108 VanDerWaalsContact C-N 3.3Å; A106-S108 PolarHBondContact O-N 2.83Å; A106-F109 CarbonylContact O-C 3.53Å; A106-F109 PolarHBondContact O-N 3.23Å; A106-F109 VanDerWaalsContact O-N 3.13Å; A106-E110 PolarHBondContact O-N 3.29Å; A106-F111 HydrophobicContact CB-CD1 3.7Å; A106-F111 HydrophobicContact CB-CE1 3.62Å; A106-F111 HydrophobicContact CB-CZ 4.49Å; A106-F111 PolarHBondContact O-N 3.09Å; A106-V116 HydrophobicContact CB-CG2 3.89Å; A106-L184 HydrophobicContact CB-CD1 3.87Å
107	L	94.9	Very high	94.9	Very high	55 Å²	55	28.8 Å²	28.8	29%	0.288	15%	0.152	S	C	.	.	H	α-helix	trans	-62.3	-35.4	175.5	178.5	68.3	0	0	0	111.8	P45 Y46 V103 E104 F105 F109 E110 F111	P45-L107 HydrophobicContact CB-CD2 4.27Å; P45-L107 HydrophobicContact CG-CD2 4.4Å; Y46-L107 HydrophobicContact CD1-CD2 4.47Å; Y46-L107 HydrophobicContact CE1-CD2 3.81Å; V103-L107 WeakPolarHBondContact O-CB 3.31Å; V103-L107 PolarHBondContact O-N 3.15Å; E104-L107 PolarHBondContact O-N 2.72Å; F105-L107 VanDerWaalsContact C-N 3.32Å; F105-L107 PolarHBondContact O-N 2.82Å; L107-F109 PolarHBondContact O-N 3.03Å; L107-F109 VanDerWaalsContact O-N 3.11Å; L107-E110 WeakPolarHBondContact O-CA 3.3Å; L107-E110 PolarHBondContact O-N 3.02Å; L107-F111 HydrophobicContact CB-CE2 3.94Å; L107-F111 HydrophobicContact CB-CZ 4.04Å; L107-F111 HydrophobicContact CD1-CD2 4.33Å; L107-F111 HydrophobicContact CD1-CE2 3.61Å; L107-F111 HydrophobicContact CD1-CZ 4.43Å; L107-F111 HydrophobicContact CG-CE2 4.4Å
108	S	94.1	Very high	94.9	Very high	27 Å²	27	28.8 Å²	28.8	19%	0.189	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.8	176.2	77.4	0	0	0	0	113.9	E104 F105 A106	E104-S108 PolarHBondContact O-N 2.88Å; E104-S108 VanDerWaalsContact O-N 3.11Å; F105-S108 WeakPolarHBondContact O-CB 3.35Å; F105-S108 PolarHBondContact O-N 2.9Å; F105-S108 PolarHBondContact O-OG 3Å; A106-S108 VanDerWaalsContact C-N 3.3Å; A106-S108 PolarHBondContact O-N 2.83Å
109	F	91.6	Very high	94.9	Very high	77 Å²	77	28.8 Å²	28.8	34%	0.338	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	16.3	171.9	-65.8	-88	0	0	0	112.4	F105 A106 L107 F111 S112	F105-F109 HydrophobicContact CD2-CE2 4.48Å; F105-F109 HydrophobicContact CE1-CD2 4.43Å; F105-F109 HydrophobicContact CE1-CE2 4.03Å; F105-F109 AromaticContact CE2-CE2 3.9Å; F105-F109 HydrophobicContact CE2-CE2 3.9Å; F105-F109 HydrophobicContact CZ-CD2 4.47Å; F105-F109 AromaticContact CZ-CE2 3.65Å; F105-F109 HydrophobicContact CZ-CE2 3.65Å; F105-F109 HydrophobicContact CZ-CZ 4.39Å; F105-F109 WeakPolarHBondContact O-CD2 3.21Å; A106-F109 CarbonylContact O-C 3.53Å; A106-F109 PolarHBondContact O-N 3.23Å; A106-F109 VanDerWaalsContact O-N 3.13Å; L107-F109 PolarHBondContact O-N 3.03Å; L107-F109 VanDerWaalsContact O-N 3.11Å; F109-F111 PolarHBondContact O-N 3.17Å; F109-F111 VanDerWaalsContact O-N 3.11Å; F109-S112 WeakPolarHBondContact O-CB 3.09Å; F109-S112 PolarHBondContact O-N 3.37Å; F109-S112 PolarHBondContact O-OG 2.85Å
110	E	92.3	Very high	94.9	Very high	147 Å²	147	28.8 Å²	28.8	69%	0.687	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	33.8	-176.1	-59.6	177.6	-174.6	0	0	112.7	A106 L107 S112	A106-E110 PolarHBondContact O-N 3.29Å; L107-E110 WeakPolarHBondContact O-CA 3.3Å; L107-E110 PolarHBondContact O-N 3.02Å; E110-S112 PolarHBondContact O-N 3.42Å
111	F	90	Very high	94.8	Very high	39 Å²	39	29.2 Å²	29.2	17%	0.171	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	20.5	-174.3	-59.5	-87.1	0	0	0	114.8	V103 A106 L107 F109 H113 G114 L160	V103-F111 HydrophobicContact CG1-CE1 4.4Å; V103-F111 HydrophobicContact CG1-CZ 4.04Å; A106-F111 HydrophobicContact CB-CD1 3.7Å; A106-F111 HydrophobicContact CB-CE1 3.62Å; A106-F111 HydrophobicContact CB-CZ 4.49Å; A106-F111 PolarHBondContact O-N 3.09Å; L107-F111 HydrophobicContact CB-CE2 3.94Å; L107-F111 HydrophobicContact CB-CZ 4.04Å; L107-F111 HydrophobicContact CD1-CD2 4.33Å; L107-F111 HydrophobicContact CD1-CE2 3.61Å; L107-F111 HydrophobicContact CD1-CZ 4.43Å; L107-F111 HydrophobicContact CG-CE2 4.4Å; F109-F111 PolarHBondContact O-N 3.17Å; F109-F111 VanDerWaalsContact O-N 3.11Å; F111-H113 PolarHBondContact O-N 3.3Å; F111-G114 PolarHBondContact O-N 3.21Å; F111-L160 HydrophobicContact CD1-CD2 4.41Å; F111-L160 HydrophobicContact CD2-CD2 4.31Å; F111-L160 HydrophobicContact CE1-CB 4.1Å; F111-L160 HydrophobicContact CE1-CD2 4.17Å; F111-L160 HydrophobicContact CE2-CD1 4.03Å; F111-L160 HydrophobicContact CE2-CD2 4.06Å; F111-L160 HydrophobicContact CG-CD2 4.48Å; F111-L160 HydrophobicContact CZ-CB 4.1Å; F111-L160 HydrophobicContact CZ-CD1 3.81Å; F111-L160 HydrophobicContact CZ-CD2 4Å; F111-L160 HydrophobicContact CZ-CG 4.19Å
112	S	89.3	Confident	94.4	Very high	86 Å²	86	30.6 Å²	30.6	60%	0.601	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.5	-178.1	58.5	0	0	0	0	114.4	F109 E110	F109-S112 WeakPolarHBondContact O-CB 3.09Å; F109-S112 PolarHBondContact O-N 3.37Å; F109-S112 PolarHBondContact O-OG 2.85Å; E110-S112 PolarHBondContact O-N 3.42Å
113	H	85.9	Confident	94.1	Very high	73 Å²	73	33.1 Å²	33.1	34%	0.338	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	1.5	178	-64.4	-54.5	0	0	0	114.2	F111 H183	F111-H113 PolarHBondContact O-N 3.3Å; H113-H183 HydrophobicContact CB-CB 3.97Å; H113-H183 VanDerWaalsContact CB-CD2 3.45Å; H113-H183 WeakPolarHBondContact CB-CD2 3.4Å; H113-H183 WeakPolarHBondContact O-CA 3.34Å; H113-H183 WeakPolarHBondContact O-CB 3.28Å; H113-H183 PolarHBondContact O-N 3.49Å
114	G	91.7	Very high	93.7	Very high	15 Å²	15	34.7 Å²	34.7	16%	0.155	19%	0.185	C	C	.	.			trans	112.3	-174.2	-178.7	0	0	0	0	0	114.4	F111 Q181 H183	F111-G114 PolarHBondContact O-N 3.21Å; G114-Q181 WeakPolarHBondContact CA-O 3.41Å; G114-H183 VanDerWaalsContact O-CB 3.26Å; G114-H183 WeakPolarHBondContact O-CB 3.5Å
115	L	95.3	Very high	93.4	Very high	31 Å²	31	32.7 Å²	32.7	16%	0.162	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-178.8	-171.6	-52.6	171	0	0	0	112.5	T159 L160 Q181 Y182 H183 L184	L115-T159 WeakPolarHBondContact CD1-O 3.19Å; L115-L160 HydrophobicContact CD2-CD2 4.21Å; L115-Q181 PolarHBondContact N-O 3.36Å; L115-Y182 HydrophobicContact CB-CD1 4.2Å; L115-Y182 WeakPolarHBondContact O-CA 3.28Å; L115-H183 PolarHBondContact O-N 3.02Å; L115-L184 PolarHBondContact O-N 3.03Å
116	V	98	Very high	93.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.1	176.3	-175.1	0	0	0	0	110.8	C102 V103 A106 L160 L161 R162 L184	C102-V116 HydrophobicContact CB-CG1 3.73Å; C102-V116 HydrophobicContact CB-CG2 4.37Å; V103-V116 HydrophobicContact CG2-CB 4.14Å; V103-V116 HydrophobicContact CG2-CG1 4.42Å; V103-V116 HydrophobicContact CG2-CG2 4.02Å; A106-V116 HydrophobicContact CB-CG2 3.89Å; V116-L160 PolarHBondContact N-O 3.17Å; V116-L161 HydrophobicContact CB-CD1 4.01Å; V116-L161 HydrophobicContact CG1-CD1 3.65Å; V116-L161 WeakPolarHBondContact O-CA 3.4Å; V116-R162 PolarHBondContact O-N 3.48Å; V116-L184 HydrophobicContact CG1-CB 4.33Å; V116-L184 HydrophobicContact CG2-CB 4.38Å; V116-L184 HydrophobicContact CG2-CD1 4.14Å
117	C	97.9	Very high	93.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.9	175.4	-176.3	0	0	0	0	110.3	R162 V164 Y182 L184 V185 V186	C117-R162 CarbonylContact C-O 3.57Å; C117-R162 WeakPolarHBondContact CA-O 3.41Å; C117-V164 WeakPolarHBondContact SG-CG2 3.3Å; C117-Y182 HydrophobicContact CB-CD1 3.68Å; C117-Y182 HydrophobicContact CB-CD2 4.02Å; C117-Y182 HydrophobicContact CB-CE1 3.61Å; C117-Y182 HydrophobicContact CB-CE2 3.94Å; C117-Y182 HydrophobicContact CB-CG 3.91Å; C117-L184 PolarHBondContact N-O 3.39Å; C117-V185 HydrophobicContact CB-CG2 4.36Å; C117-V185 CarbonylContact O-C 3.57Å; C117-V185 WeakPolarHBondContact O-CA 3.43Å; C117-V186 PolarHBondContact O-N 3.16Å
118	C	98.3	Very high	92.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	110	174.7	-176	0	0	0	0	109.8	R162 F163 V164 V186	C118-R162 PolarHBondContact N-O 3.16Å; C118-F163 HydrophobicContact CB-CD1 3.79Å; C118-F163 HydrophobicContact CB-CE1 3.83Å; C118-F163 CarbonylContact O-C 3.55Å; C118-F163 WeakPolarHBondContact O-CA 3.48Å; C118-V164 PolarHBondContact O-N 2.88Å; C118-V186 CarbonylContact C-O 3.54Å; C118-V186 WeakPolarHBondContact CA-O 3.46Å; C118-V186 HydrophobicContact CB-CB 4.12Å
119	S	97.9	Very high	92.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	138.1	179.6	71.5	0	0	0	0	111.6	V164 V186 L187 D188	S119-V164 CarbonylContact C-O 3.55Å; S119-V164 VanDerWaalsContact CA-O 3.3Å; S119-V164 WeakPolarHBondContact CA-O 3.43Å; S119-V186 PolarHBondContact N-O 3.27Å; S119-V186 PolarHBondContact OG-O 3.27Å; S119-L187 WeakPolarHBondContact OG-CA 3.5Å; S119-L187 WeakPolarHBondContact OG-CD2 3.38Å; S119-D188 WeakPolarHBondContact O-CB 3.5Å; S119-D188 PolarHBondContact O-N 2.83Å
120	Q	96.8	Very high	93.1	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.3	173	-65.2	-69.3	-42.1	0	0	110.6	H122 A126 L129 V164 S165 D166 D188	Q120-H122 PolarHBondContact O-N 2.99Å; Q120-A126 HydrophobicContact CB-CB 4.03Å; Q120-A126 HydrophobicContact CG-CB 4.11Å; Q120-L129 HydrophobicContact CG-CD1 3.84Å; Q120-V164 PolarHBondContact N-O 2.95Å; Q120-S165 WeakPolarHBondContact O-CA 3.18Å; Q120-D166 PolarHBondContact O-N 3.17Å; Q120-D188 PolarHBondContact NE2-OD2 2.91Å
121	P	94.4	Very high	93.1	Very high	14 Å²	14	22 Å²	22	9%	0.091	13%	0.125	C	C	.	.	S	Bend	trans	-63.8	-24.7	173.7	-27.6	37.6	0	0	0	114.8	E189 E192 T194	P121-E189 HydrophobicContact CG-CB 3.85Å; P121-E192 HydrophobicContact CB-CB 4Å; P121-E192 HydrophobicContact CB-CG 4.02Å; P121-E192 HydrophobicContact CG-CB 3.81Å; P121-E192 HydrophobicContact CG-CG 3.88Å; P121-T194 HydrophobicContact CB-CG2 3.87Å
122	H	91.7	Very high	93.3	Very high	29 Å²	29	22.2 Å²	22.2	13%	0.134	13%	0.125	C	C	.	.	S	Bend	trans	-120.5	121.8	-175.4	-67.3	-70	0	0	0	110.6	Q120 E124 A125 A126 L366 A369	Q120-H122 PolarHBondContact O-N 2.99Å; H122-E124 VanDerWaalsContact C-N 3.27Å; H122-E124 PolarHBondContact O-N 3.27Å; H122-A125 HydrophobicContact CB-CB 4Å; H122-A125 WeakPolarHBondContact O-CB 3.33Å; H122-A125 PolarHBondContact O-N 3.37Å; H122-A126 PolarHBondContact O-N 3.07Å; H122-A126 VanDerWaalsContact O-N 3.09Å; H122-L366 HydrophobicContact CB-CD1 4.08Å; H122-A369 HydrophobicContact CB-CB 4.4Å
123	P	90.6	Very high	93.6	Very high	53 Å²	53	18.1 Å²	18.1	34%	0.344	10%	0.096	S	C	.	.	H	α-helix	trans	-53.5	-40.9	177.3	-29.9	37.4	0	0	0	113.8	A125 A126 L127 V149	P123-A125 VanDerWaalsContact C-N 3.25Å; P123-A125 PolarHBondContact O-N 3.11Å; P123-A126 WeakPolarHBondContact O-CB 3.44Å; P123-A126 PolarHBondContact O-N 3.17Å; P123-L127 PolarHBondContact O-N 3.03Å; P123-V149 HydrophobicContact CB-CB 3.96Å; P123-V149 HydrophobicContact CB-CG1 3.78Å; P123-V149 HydrophobicContact CB-CG2 4.31Å
124	E	89.6	Confident	94.1	Very high	33 Å²	33	14.8 Å²	14.8	15%	0.154	8%	0.081	C	C	.	.	H	α-helix	trans	-65.8	-30.7	179.5	-56.2	89.5	157.1	0	0	112	H122 S128 A330 L366 F371	H122-E124 VanDerWaalsContact C-N 3.27Å; H122-E124 PolarHBondContact O-N 3.27Å; E124-S128 WeakPolarHBondContact O-CB 3.12Å; E124-S128 PolarHBondContact O-N 2.68Å; E124-A330 HydrophobicContact CB-CB 4.2Å; E124-A330 HydrophobicContact CG-CB 4.06Å; E124-L366 HydrophobicContact CG-CD2 4.45Å; E124-F371 HydrophobicContact CB-CE1 4.32Å; E124-F371 HydrophobicContact CB-CZ 3.78Å
125	A	90.6	Very high	94.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-74.3	-39.7	174.1	0	0	0	0	0	111.5	H122 P123 S128 L129 A369	H122-A125 HydrophobicContact CB-CB 4Å; H122-A125 WeakPolarHBondContact O-CB 3.33Å; H122-A125 PolarHBondContact O-N 3.37Å; P123-A125 VanDerWaalsContact C-N 3.25Å; P123-A125 PolarHBondContact O-N 3.11Å; A125-S128 PolarHBondContact O-N 3.22Å; A125-L129 WeakPolarHBondContact O-CB 3.36Å; A125-L129 VanDerWaalsContact O-CG 3.29Å; A125-L129 WeakPolarHBondContact O-CG 3.26Å; A125-L129 PolarHBondContact O-N 3.03Å; A125-A369 HydrophobicContact CB-CB 4.1Å
126	A	93.6	Very high	94.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.7	-51.6	174.1	0	0	0	0	0	111.5	Q120 H122 P123 S128 L129 A130 V149 F163	Q120-A126 HydrophobicContact CB-CB 4.03Å; Q120-A126 HydrophobicContact CG-CB 4.11Å; H122-A126 PolarHBondContact O-N 3.07Å; H122-A126 VanDerWaalsContact O-N 3.09Å; P123-A126 WeakPolarHBondContact O-CB 3.44Å; P123-A126 PolarHBondContact O-N 3.17Å; A126-S128 PolarHBondContact O-N 3.47Å; A126-L129 PolarHBondContact O-N 3.34Å; A126-A130 WeakPolarHBondContact O-CB 3.37Å; A126-A130 PolarHBondContact O-N 3.12Å; A126-V149 HydrophobicContact CB-CG1 4.08Å; A126-F163 HydrophobicContact CB-CB 4.15Å
127	L	91.9	Very high	94.3	Very high	19 Å²	19	15.3 Å²	15.3	10%	0.099	8%	0.08	C	C	.	.	H	α-helix	trans	-54	-50.7	173.8	174.8	73.4	0	0	0	111.7	P123 L129 A130 L131 Y147 Q331	P123-L127 PolarHBondContact O-N 3.03Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 PolarHBondContact O-N 2.82Å; L127-A130 PolarHBondContact O-N 3.27Å; L127-L131 PolarHBondContact O-N 3.31Å; L127-L131 VanDerWaalsContact O-N 3.09Å; L127-Y147 HydrophobicContact CB-CD2 4.36Å; L127-Y147 HydrophobicContact CB-CE2 4.48Å; L127-Y147 HydrophobicContact CD1-CD1 3.78Å; L127-Y147 HydrophobicContact CD1-CD2 4.02Å; L127-Y147 HydrophobicContact CD1-CE1 3.25Å; L127-Y147 HydrophobicContact CD1-CE2 3.5Å; L127-Y147 VanDerWaalsContact CD1-CE2 3.5Å; L127-Y147 HydrophobicContact CD1-CG 4.15Å; L127-Y147 WeakPolarHBondContact CD1-OH 3.31Å; L127-Q331 HydrophobicContact CD2-CG 3.88Å; L127-Q331 VanDerWaalsContact CG-NE2 3.32Å
128	S	90.7	Very high	94.2	Very high	4 Å²	4	17.1 Å²	17.1	3%	0.028	9%	0.09	C	C	.	.	H	α-helix	trans	-63.4	-37.6	-179	177.8	0	0	0	0	113	E124 A125 A126 R132 Y334	E124-S128 WeakPolarHBondContact O-CB 3.12Å; E124-S128 PolarHBondContact O-N 2.68Å; A125-S128 PolarHBondContact O-N 3.22Å; A126-S128 PolarHBondContact O-N 3.47Å; S128-R132 WeakPolarHBondContact O-CB 3.41Å; S128-R132 PolarHBondContact O-N 2.87Å; S128-R132 VanDerWaalsContact O-N 3.16Å; S128-Y334 WeakPolarHBondContact OG-CE2 3.32Å; S128-Y334 VanDerWaalsContact OG-CZ 3.26Å; S128-Y334 PolarHBondContact OG-OH 2.75Å
129	L	94.1	Very high	94.1	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-73.5	-40.9	179.3	-77.3	167.5	0	0	0	111	T96 Q120 A125 A126 L127 L131 R132 V133 F163	T96-L129 HydrophobicContact CG2-CD2 3.8Å; Q120-L129 HydrophobicContact CG-CD1 3.84Å; A125-L129 WeakPolarHBondContact O-CB 3.36Å; A125-L129 VanDerWaalsContact O-CG 3.29Å; A125-L129 WeakPolarHBondContact O-CG 3.26Å; A125-L129 PolarHBondContact O-N 3.03Å; A126-L129 PolarHBondContact O-N 3.34Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 PolarHBondContact O-N 2.82Å; L129-L131 VanDerWaalsContact C-N 3.33Å; L129-L131 PolarHBondContact O-N 2.86Å; L129-R132 PolarHBondContact O-N 3.07Å; L129-V133 WeakPolarHBondContact O-CB 3.17Å; L129-V133 WeakPolarHBondContact O-CG2 3.5Å; L129-V133 PolarHBondContact O-N 3.04Å; L129-F163 HydrophobicContact CB-CD1 3.88Å; L129-F163 HydrophobicContact CB-CE1 3.77Å; L129-F163 HydrophobicContact CB-CG 4.41Å; L129-F163 HydrophobicContact CB-CZ 4.22Å; L129-F163 HydrophobicContact CD1-CD1 4.44Å; L129-F163 HydrophobicContact CD1-CE1 4.33Å
130	A	95.3	Very high	93.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.5	-45.8	174.9	0	0	0	0	0	111.5	A126 L127 R132 V133 A134 L141 Y147 F163	A126-A130 WeakPolarHBondContact O-CB 3.37Å; A126-A130 PolarHBondContact O-N 3.12Å; L127-A130 PolarHBondContact O-N 3.27Å; A130-R132 PolarHBondContact O-N 2.77Å; A130-V133 PolarHBondContact O-N 3.25Å; A130-A134 WeakPolarHBondContact O-CB 3.18Å; A130-A134 PolarHBondContact O-N 3.32Å; A130-L141 HydrophobicContact CB-CD1 3.68Å; A130-Y147 HydrophobicContact CB-CD1 4.16Å; A130-Y147 HydrophobicContact CB-CG 4.42Å; A130-F163 HydrophobicContact CB-CB 4.21Å; A130-F163 HydrophobicContact CB-CD2 3.64Å; A130-F163 HydrophobicContact CB-CE2 4.4Å; A130-F163 HydrophobicContact CB-CG 4.19Å
131	L	92.8	Very high	93.7	Very high	61 Å²	61	24.3 Å²	24.3	32%	0.319	13%	0.134	S	C	.	.	H	α-helix	trans	-57.7	-48	173.8	-79.2	167.6	0	0	0	112.4	L127 L129 D135 L141 Q331	L127-L131 PolarHBondContact O-N 3.31Å; L127-L131 VanDerWaalsContact O-N 3.09Å; L129-L131 VanDerWaalsContact C-N 3.33Å; L129-L131 PolarHBondContact O-N 2.86Å; L131-D135 PolarHBondContact O-N 2.89Å; L131-L141 HydrophobicContact CD2-CD2 3.48Å; L131-L141 VanDerWaalsContact CD2-CD2 3.48Å; L131-L141 HydrophobicContact CG-CD2 3.91Å; L131-Q331 HydrophobicContact CD1-CG 4.46Å
132	R	93.1	Very high	93.6	Very high	45 Å²	45	24.1 Å²	24.1	17%	0.17	14%	0.135	C	C	.	.	H	α-helix	trans	-66.8	-41.4	-178.6	175.7	58.6	-176.2	-176.6	1.7	112	T96 S128 L129 A130 D135 E136	T96-R132 HydrophobicContact CG2-CG 4.02Å; S128-R132 WeakPolarHBondContact O-CB 3.41Å; S128-R132 PolarHBondContact O-N 2.87Å; S128-R132 VanDerWaalsContact O-N 3.16Å; L129-R132 PolarHBondContact O-N 3.07Å; A130-R132 PolarHBondContact O-N 2.77Å; R132-D135 PolarHBondContact O-N 3.08Å; R132-E136 IonicContact CZ-OE1 2.7Å; R132-E136 VanDerWaalsContact CZ-OE1 3.24Å; R132-E136 IonicContact NE-OE1 3.54Å; R132-E136 PolarHBondContact NE-OE1 2.62Å; R132-E136 IonicContact NH2-OE1 3.51Å; R132-E136 PolarHBondContact NH2-OE1 2.65Å; R132-E136 WeakPolarHBondContact O-CG 3.39Å; R132-E136 PolarHBondContact O-N 3.42Å
133	V	96.6	Very high	93.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-74.6	-36.6	-177.7	171.1	0	0	0	0	111.2	T96 Q100 L129 A130 D135 E136 M137 V145 L161 F163	T96-V133 HydrophobicContact CG2-CG2 4.18Å; Q100-V133 HydrophobicContact CG-CG1 3.68Å; L129-V133 WeakPolarHBondContact O-CB 3.17Å; L129-V133 WeakPolarHBondContact O-CG2 3.5Å; L129-V133 PolarHBondContact O-N 3.04Å; A130-V133 PolarHBondContact O-N 3.25Å; V133-D135 VanDerWaalsContact C-N 3.3Å; V133-D135 PolarHBondContact O-N 3.25Å; V133-E136 PolarHBondContact O-N 2.87Å; V133-M137 HydrophobicContact CG1-CG 4.13Å; V133-M137 HydrophobicContact CG1-SD 3.7Å; V133-M137 WeakPolarHBondContact O-CB 3.27Å; V133-M137 VanDerWaalsContact O-CG 3.29Å; V133-M137 WeakPolarHBondContact O-CG 3.33Å; V133-M137 PolarHBondContact O-N 3Å; V133-V145 HydrophobicContact CG1-CG1 4.34Å; V133-L161 HydrophobicContact CG1-CD2 3.76Å; V133-F163 HydrophobicContact CB-CE2 4.01Å; V133-F163 HydrophobicContact CB-CZ 4.15Å; V133-F163 HydrophobicContact CG1-CE2 4.23Å; V133-F163 HydrophobicContact CG1-CZ 4.41Å; V133-F163 HydrophobicContact CG2-CE2 4.22Å; V133-F163 HydrophobicContact CG2-CZ 3.84Å
134	A	96.2	Very high	93.9	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-56.5	-46.4	169.7	0	0	0	0	0	110.9	A130 M137 D138 L139 L141 V145	A130-A134 WeakPolarHBondContact O-CB 3.18Å; A130-A134 PolarHBondContact O-N 3.32Å; A134-M137 PolarHBondContact O-N 2.96Å; A134-D138 PolarHBondContact O-N 2.97Å; A134-L139 CarbonylContact C-O 3.6Å; A134-L139 PolarHBondContact O-N 2.98Å; A134-L141 HydrophobicContact CB-CB 4.27Å; A134-V145 HydrophobicContact CB-CB 4.12Å; A134-V145 HydrophobicContact CB-CG1 4.21Å
135	D	94.8	Very high	94.3	Very high	43 Å²	43	24.1 Å²	24.1	23%	0.23	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-40.9	175.5	-169.9	32.6	0	0	0	112.8	R54 L58 L131 R132 V133 M137 D138	R54-D135 WeakPolarHBondContact CD-OD1 3.22Å; R54-D135 IonicContact CZ-OD1 2.63Å; R54-D135 IonicContact CZ-OD2 2.72Å; R54-D135 IonicContact NE-OD1 3.33Å; R54-D135 PolarHBondContact NE-OD1 3.34Å; R54-D135 IonicContact NE-OD2 3.47Å; R54-D135 PolarHBondContact NE-OD2 3.2Å; R54-D135 IonicContact NH2-OD1 3.37Å; R54-D135 IonicContact NH2-OD2 3.72Å; R54-D135 PolarHBondContact NH2-OD2 2.78Å; L58-D135 WeakPolarHBondContact CD1-O 3.45Å; L131-D135 PolarHBondContact O-N 2.89Å; R132-D135 PolarHBondContact O-N 3.08Å; V133-D135 VanDerWaalsContact C-N 3.3Å; V133-D135 PolarHBondContact O-N 3.25Å; D135-M137 VanDerWaalsContact C-N 3.33Å; D135-M137 PolarHBondContact O-N 2.62Å; D135-D138 PolarHBondContact O-N 3.02Å
136	E	96.3	Very high	94.6	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.019	13%	0.132	C	C	.	.	H	α-helix	trans	-69	-28.2	177	-75.4	-174.8	-171.7	0	0	113.9	Y55 L58 R62 Q97 Q100 R132 V133	Y55-E136 WeakPolarHBondContact CD2-O 3.26Å; L58-E136 HydrophobicContact CD1-CG 4.38Å; R62-E136 WeakPolarHBondContact CD-OE2 3.44Å; R62-E136 HydrophobicContact CG-CG 4.5Å; R62-E136 IonicContact NE-OE2 2.74Å; R62-E136 PolarHBondContact NE-OE2 3.13Å; R62-E136 PolarHBondContact NH1-O 3.2Å; Q97-E136 PolarHBondContact NE2-OE2 3.3Å; Q100-E136 PolarHBondContact NE2-OE2 2.94Å; R132-E136 IonicContact CZ-OE1 2.7Å; R132-E136 VanDerWaalsContact CZ-OE1 3.24Å; R132-E136 IonicContact NE-OE1 3.54Å; R132-E136 PolarHBondContact NE-OE1 2.62Å; R132-E136 IonicContact NH2-OE1 3.51Å; R132-E136 PolarHBondContact NH2-OE1 2.65Å; R132-E136 WeakPolarHBondContact O-CG 3.39Å; R132-E136 PolarHBondContact O-N 3.42Å; V133-E136 PolarHBondContact O-N 2.87Å
137	M	96.8	Very high	94.7	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.044	14%	0.136	C	C	.	.	H	α-helix	trans	-90.5	-2.6	176.2	-66.1	-179.4	72.1	0	0	112.9	N44 Y46 Q100 V103 V133 A134 D135 L139 V145	N44-M137 PolarHBondContact ND2-O 3.21Å; Y46-M137 HydrophobicContact CD2-CE 3.79Å; Y46-M137 HydrophobicContact CE1-CE 4.29Å; Y46-M137 HydrophobicContact CE2-CE 3.37Å; Y46-M137 HydrophobicContact CG-CE 4.45Å; Q100-M137 HydrophobicContact CG-CG 3.87Å; Q100-M137 HydrophobicContact CG-SD 3.81Å; V103-M137 HydrophobicContact CG1-CE 4.21Å; V133-M137 HydrophobicContact CG1-CG 4.13Å; V133-M137 HydrophobicContact CG1-SD 3.7Å; V133-M137 WeakPolarHBondContact O-CB 3.27Å; V133-M137 VanDerWaalsContact O-CG 3.29Å; V133-M137 WeakPolarHBondContact O-CG 3.33Å; V133-M137 PolarHBondContact O-N 3Å; A134-M137 PolarHBondContact O-N 2.96Å; D135-M137 VanDerWaalsContact C-N 3.33Å; D135-M137 PolarHBondContact O-N 2.62Å; M137-L139 VanDerWaalsContact C-N 3.32Å; M137-L139 HydrophobicContact CB-CB 4.5Å; M137-L139 HydrophobicContact CB-CD1 3.64Å; M137-L139 HydrophobicContact CB-CG 4.02Å; M137-L139 HydrophobicContact CE-CD1 3.85Å; M137-L139 HydrophobicContact SD-CD1 4.37Å; M137-V145 HydrophobicContact CE-CG2 4.44Å; M137-V145 HydrophobicContact SD-CG2 3.65Å
138	D	96.8	Very high	94.8	Very high	39 Å²	39	28.3 Å²	28.3	21%	0.209	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	39.7	-175.4	-149.9	39.5	0	0	0	113.5	F51 S52 Y55 A134 D135	F51-D138 HydrophobicContact CD1-CB 4.14Å; S52-D138 WeakPolarHBondContact CB-OD1 3.3Å; S52-D138 VanDerWaalsContact CB-OD2 3.23Å; S52-D138 WeakPolarHBondContact CB-OD2 3.22Å; S52-D138 PolarHBondContact N-OD2 3.11Å; S52-D138 VanDerWaalsContact OG-CG 3.24Å; S52-D138 PolarHBondContact OG-OD1 3.15Å; S52-D138 PolarHBondContact OG-OD2 3.44Å; Y55-D138 HydrophobicContact CD2-CB 4.07Å; Y55-D138 HydrophobicContact CG-CB 4.28Å; A134-D138 PolarHBondContact O-N 2.97Å; D135-D138 PolarHBondContact O-N 3.02Å
139	L	95.8	Very high	94.8	Very high	15 Å²	15	28.8 Å²	28.8	8%	0.079	15%	0.15	C	C	.	.			trans	-119.5	158.5	-176.2	-63.7	166.9	0	0	0	111.1	N44 Y46 D47 A134 M137 E144 V145	N44-L139 WeakPolarHBondContact ND2-CD2 3.15Å; Y46-L139 HydrophobicContact CD2-CD1 3.89Å; Y46-L139 HydrophobicContact CG-CD1 4.18Å; D47-L139 HydrophobicContact CB-CD2 4.09Å; A134-L139 CarbonylContact C-O 3.6Å; A134-L139 PolarHBondContact O-N 2.98Å; M137-L139 VanDerWaalsContact C-N 3.32Å; M137-L139 HydrophobicContact CB-CB 4.5Å; M137-L139 HydrophobicContact CB-CD1 3.64Å; M137-L139 HydrophobicContact CB-CG 4.02Å; M137-L139 HydrophobicContact CE-CD1 3.85Å; M137-L139 HydrophobicContact SD-CD1 4.37Å; L139-E144 HydrophobicContact CD1-CB 3.86Å; L139-E144 HydrophobicContact CD1-CG 4.43Å; L139-E144 HydrophobicContact CD2-CG 4.36Å; L139-V145 HydrophobicContact CD1-CG2 4.13Å
140	S	92.9	Very high	94.4	Very high	79 Å²	79	31.4 Å²	31.4	55%	0.552	17%	0.168	S	C	*	.			trans	-83.2	127.8	174.2	-65.6	0	0	0	0	110.4	G142 L143	S140-G142 PolarHBondContact O-N 3.33Å; S140-L143 PolarHBondContact O-N 2.87Å
141	L	93.6	Very high	93.8	Very high	57 Å²	57	33.4 Å²	33.4	30%	0.298	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-56.8	131.8	171.5	-178.1	73.9	0	0	0	109.8	A130 L131 A134 V145 Y147	A130-L141 HydrophobicContact CB-CD1 3.68Å; L131-L141 HydrophobicContact CD2-CD2 3.48Å; L131-L141 VanDerWaalsContact CD2-CD2 3.48Å; L131-L141 HydrophobicContact CG-CD2 3.91Å; A134-L141 HydrophobicContact CB-CB 4.27Å; L141-V145 WeakPolarHBondContact CA-O 3.36Å; L141-Y147 HydrophobicContact CD1-CD1 4.26Å; L141-Y147 HydrophobicContact CD2-CD1 4.33Å; L141-Y147 HydrophobicContact CD2-CE1 4.06Å
142	G	91.8	Very high	93.4	Very high	10 Å²	10	34.2 Å²	34.2	10%	0.103	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.3	-21.4	179.8	0	0	0	0	0	114.7	S140 V145 S154 T156	S140-G142 PolarHBondContact O-N 3.33Å; G142-V145 PolarHBondContact N-O 3.41Å; G142-S154 VanDerWaalsContact CA-O 3.27Å; G142-S154 WeakPolarHBondContact CA-O 3.45Å; G142-T156 WeakPolarHBondContact O-CG2 3.26Å; G142-T156 PolarHBondContact O-OG1 2.68Å; G142-T156 VanDerWaalsContact O-OG1 3.08Å
143	L	92.6	Very high	93.4	Very high	82 Å²	82	36 Å²	36	43%	0.429	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-106.5	176.4	-59.7	-177.6	0	0	0	108.6	S140 V145 T159	S140-L143 PolarHBondContact O-N 2.87Å; L143-V145 VanDerWaalsContact C-N 3.34Å; L143-V145 PolarHBondContact O-N 3.47Å; L143-T159 WeakPolarHBondContact O-CA 3.43Å; L143-T159 WeakPolarHBondContact O-CB 3.38Å; L143-T159 PolarHBondContact O-OG1 2.75Å
144	E	95.8	Very high	93.2	Very high	34 Å²	34	37.6 Å²	37.6	16%	0.159	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-30.1	-174.6	-61.5	74.4	-157.5	0	0	112.8	L139 L160 L161	L139-E144 HydrophobicContact CD1-CB 3.86Å; L139-E144 HydrophobicContact CD1-CG 4.43Å; L139-E144 HydrophobicContact CD2-CG 4.36Å; E144-L160 HydrophobicContact CB-CD1 4.18Å; E144-L160 HydrophobicContact CB-CG 4.35Å; E144-L160 HydrophobicContact CG-CD1 4.22Å; E144-L160 PolarHBondContact O-N 2.82Å; E144-L161 PolarHBondContact O-N 2.98Å
145	V	97.6	Very high	93.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.6	174.1	-177.8	0	0	0	0	109	V133 A134 M137 L139 L141 G142 L143 L161 F163	V133-V145 HydrophobicContact CG1-CG1 4.34Å; A134-V145 HydrophobicContact CB-CB 4.12Å; A134-V145 HydrophobicContact CB-CG1 4.21Å; M137-V145 HydrophobicContact CE-CG2 4.44Å; M137-V145 HydrophobicContact SD-CG2 3.65Å; L139-V145 HydrophobicContact CD1-CG2 4.13Å; L141-V145 WeakPolarHBondContact CA-O 3.36Å; G142-V145 PolarHBondContact N-O 3.41Å; L143-V145 VanDerWaalsContact C-N 3.34Å; L143-V145 PolarHBondContact O-N 3.47Å; V145-L161 HydrophobicContact CG1-CD2 4.38Å; V145-L161 HydrophobicContact CG2-CB 4.41Å; V145-F163 HydrophobicContact CG1-CD2 4.48Å; V145-F163 HydrophobicContact CG1-CE2 4.24Å
146	G	96.9	Very high	93	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	175	-179	0	0	0	0	0	112.4	S154 L161 F163	G146-S154 WeakPolarHBondContact CA-O 3.46Å; G146-L161 PolarHBondContact N-O 3.07Å; G146-F163 PolarHBondContact O-N 2.85Å
147	Y	95.8	Very high	92.6	Very high	21 Å²	21	44.3 Å²	44.3	8%	0.082	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	155.2	168.4	70.7	-79.8	0	0	0	110.5	L127 A130 L141 V149 D152 S154 C155 F163	L127-Y147 HydrophobicContact CB-CD2 4.36Å; L127-Y147 HydrophobicContact CB-CE2 4.48Å; L127-Y147 HydrophobicContact CD1-CD1 3.78Å; L127-Y147 HydrophobicContact CD1-CD2 4.02Å; L127-Y147 HydrophobicContact CD1-CE1 3.25Å; L127-Y147 HydrophobicContact CD1-CE2 3.5Å; L127-Y147 VanDerWaalsContact CD1-CE2 3.5Å; L127-Y147 HydrophobicContact CD1-CG 4.15Å; L127-Y147 WeakPolarHBondContact CD1-OH 3.31Å; A130-Y147 HydrophobicContact CB-CD1 4.16Å; A130-Y147 HydrophobicContact CB-CG 4.42Å; L141-Y147 HydrophobicContact CD1-CD1 4.26Å; L141-Y147 HydrophobicContact CD2-CD1 4.33Å; L141-Y147 HydrophobicContact CD2-CE1 4.06Å; Y147-V149 HydrophobicContact CD2-CG1 4.36Å; Y147-V149 HydrophobicContact CD2-CG2 4.25Å; Y147-V149 HydrophobicContact CE2-CG2 4.23Å; Y147-D152 HydrophobicContact CE2-CB 4.39Å; Y147-D152 PolarHBondContact OH-OD1 3.39Å; Y147-D152 PolarHBondContact OH-OD2 2.96Å; Y147-S154 CarbonylContact O-C 3.59Å; Y147-S154 PolarHBondContact O-N 3.14Å; Y147-C155 VanDerWaalsContact C-SG 3.56Å; Y147-C155 PolarHBondContact O-SG 3.26Å; Y147-F163 CarbonylContact C-O 3.57Å; Y147-F163 WeakPolarHBondContact CA-O 3.36Å; Y147-F163 WeakPolarHBondContact CB-O 3.34Å
148	R	94.1	Very high	92.1	Very high	86 Å²	86	49.6 Å²	49.6	33%	0.325	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	113.1	175.1	-172.3	178.1	-163	-144.8	-4.1	109.6	D153 F163 V164 S165 L168 E172	R148-D153 WeakPolarHBondContact CD-OD2 3.29Å; R148-D153 HydrophobicContact CG-CB 4.19Å; R148-D153 IonicContact CZ-OD2 2.71Å; R148-D153 IonicContact NE-OD2 2.68Å; R148-D153 PolarHBondContact NE-OD2 2.94Å; R148-D153 IonicContact NH2-OD2 3.17Å; R148-F163 PolarHBondContact N-O 2.91Å; R148-V164 HydrophobicContact CB-CG1 4.14Å; R148-V164 VanDerWaalsContact O-CA 3.24Å; R148-V164 WeakPolarHBondContact O-CA 3.37Å; R148-S165 PolarHBondContact O-N 3.26Å; R148-L168 HydrophobicContact CG-CD1 3.96Å; R148-L168 HydrophobicContact CG-CD2 4.08Å; R148-E172 IonicContact CZ-OE1 3.87Å; R148-E172 IonicContact NH1-OE1 3.62Å; R148-E172 PolarHBondContact NH1-OE1 2.98Å
149	V	90.9	Very high	92	Very high	15 Å²	15	47.8 Å²	47.8	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	170.7	175.3	-61.2	0	0	0	0	108.4	P123 A126 Y147 H151 D152	P123-V149 HydrophobicContact CB-CB 3.96Å; P123-V149 HydrophobicContact CB-CG1 3.78Å; P123-V149 HydrophobicContact CB-CG2 4.31Å; A126-V149 HydrophobicContact CB-CG1 4.08Å; Y147-V149 HydrophobicContact CD2-CG1 4.36Å; Y147-V149 HydrophobicContact CD2-CG2 4.25Å; Y147-V149 HydrophobicContact CE2-CG2 4.23Å; V149-H151 PolarHBondContact O-N 2.72Å; V149-D152 HydrophobicContact CG2-CB 3.83Å; V149-D152 PolarHBondContact N-O 3.04Å; V149-D152 CarbonylContact O-C 3.57Å; V149-D152 PolarHBondContact O-N 2.73Å; V149-D152 VanDerWaalsContact O-N 3.09Å
150	S	85.5	Confident	92.1	Very high	56 Å²	56	48.5 Å²	48.5	39%	0.392	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	120.4	-178.7	-52.6	0	0	0	0	110.6	D152	S150-D152 PolarHBondContact O-N 3.18Å
151	H	82.9	Confident	92.3	Very high	43 Å²	43	44.7 Å²	44.7	20%	0.199	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	14.4	177.8	-38.1	-58.3	0	0	0	116	V149 L600 V603 I604 E607	V149-H151 PolarHBondContact O-N 2.72Å; H151-L600 HydrophobicContact CB-CD1 3.55Å; H151-V603 HydrophobicContact CB-CG1 4.29Å; H151-I604 HydrophobicContact CB-CG1 4.23Å; H151-E607 IonicContact CE1-OE2 3.13Å; H151-E607 IonicContact CG-OE2 2.61Å; H151-E607 IonicContact ND1-OE2 3.5Å; H151-E607 PolarHBondContact ND1-OE2 2.81Å
152	D	85.6	Confident	92.5	Very high	78 Å²	78	43.4 Å²	43.4	42%	0.417	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	108.7	174.4	-165.9	-0.5	0	0	0	110.1	Y147 V149 S150	Y147-D152 HydrophobicContact CE2-CB 4.39Å; Y147-D152 PolarHBondContact OH-OD1 3.39Å; Y147-D152 PolarHBondContact OH-OD2 2.96Å; V149-D152 HydrophobicContact CG2-CB 3.83Å; V149-D152 PolarHBondContact N-O 3.04Å; V149-D152 CarbonylContact O-C 3.57Å; V149-D152 PolarHBondContact O-N 2.73Å; V149-D152 VanDerWaalsContact O-N 3.09Å; S150-D152 PolarHBondContact O-N 3.18Å
153	D	91.4	Very high	92.8	Very high	82 Å²	82	42.9 Å²	42.9	44%	0.439	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111	-176.4	-164.5	-13.9	0	0	0	109.7	R148 C155	R148-D153 WeakPolarHBondContact CD-OD2 3.29Å; R148-D153 HydrophobicContact CG-CB 4.19Å; R148-D153 IonicContact CZ-OD2 2.71Å; R148-D153 IonicContact NE-OD2 2.68Å; R148-D153 PolarHBondContact NE-OD2 2.94Å; R148-D153 IonicContact NH2-OD2 3.17Å; D153-C155 VanDerWaalsContact OD1-CB 3.24Å; D153-C155 WeakPolarHBondContact OD1-CB 2.91Å; D153-C155 PolarHBondContact OD1-N 3.23Å
154	S	93.1	Very high	93	Very high	34 Å²	34	39 Å²	39	24%	0.238	21%	0.213	C	C	.	.			trans	-111.1	40.7	173.6	-166.2	0	0	0	0	109.8	G142 G146 Y147	G142-S154 VanDerWaalsContact CA-O 3.27Å; G142-S154 WeakPolarHBondContact CA-O 3.45Å; G146-S154 WeakPolarHBondContact CA-O 3.46Å; Y147-S154 CarbonylContact O-C 3.59Å; Y147-S154 PolarHBondContact O-N 3.14Å
155	C	93.5	Very high	93	Very high	27 Å²	27	37.6 Å²	37.6	18%	0.182	21%	0.207	C	C	.	.			trans	-111	153.3	171.1	-57.8	0	0	0	0	111	Y147 D153 T159	Y147-C155 VanDerWaalsContact C-SG 3.56Å; Y147-C155 PolarHBondContact O-SG 3.26Å; D153-C155 VanDerWaalsContact OD1-CB 3.24Å; D153-C155 WeakPolarHBondContact OD1-CB 2.91Å; D153-C155 PolarHBondContact OD1-N 3.23Å; C155-T159 WeakPolarHBondContact CA-OG1 3.32Å; C155-T159 HydrophobicContact CB-CG2 4.33Å
156	T	92.9	Very high	92.9	Very high	47 Å²	47	37.8 Å²	37.8	29%	0.288	21%	0.208	S	C	.	.			trans	-115.6	169	168.8	54.4	0	0	0	0	109.4	G142 D158 T159	G142-T156 WeakPolarHBondContact O-CG2 3.26Å; G142-T156 PolarHBondContact O-OG1 2.68Å; G142-T156 VanDerWaalsContact O-OG1 3.08Å; T156-D158 PolarHBondContact O-N 3.39Å; T156-D158 VanDerWaalsContact O-N 3.14Å; T156-T159 PolarHBondContact N-OG1 3.2Å; T156-T159 WeakPolarHBondContact O-CB 3.41Å; T156-T159 PolarHBondContact O-N 2.87Å; T156-T159 VanDerWaalsContact O-N 3.08Å; T156-T159 PolarHBondContact O-OG1 3.28Å; T156-T159 PolarHBondContact OG1-OG1 2.85Å
157	P	88.3	Confident	92.7	Very high	116 Å²	116	40 Å²	40	75%	0.753	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.3	172.2	-27.3	36.9	0	0	0	113.7
158	D	87.1	Confident	92.5	Very high	121 Å²	121	39.7 Å²	39.7	65%	0.647	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-3	-178.8	-56.3	-42.2	0	0	0	113.2	T156 L160	T156-D158 PolarHBondContact O-N 3.39Å; T156-D158 VanDerWaalsContact O-N 3.14Å; D158-L160 PolarHBondContact O-N 3.17Å; D158-L160 VanDerWaalsContact O-N 3.17Å
159	T	95	Very high	92.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.			trans	-66.3	116.1	-179.6	-56.9	0	0	0	0	112.3	L115 L143 C155 T156 L161 R162	L115-T159 WeakPolarHBondContact CD1-O 3.19Å; L143-T159 WeakPolarHBondContact O-CA 3.43Å; L143-T159 WeakPolarHBondContact O-CB 3.38Å; L143-T159 PolarHBondContact O-OG1 2.75Å; C155-T159 WeakPolarHBondContact CA-OG1 3.32Å; C155-T159 HydrophobicContact CB-CG2 4.33Å; T156-T159 PolarHBondContact N-OG1 3.2Å; T156-T159 WeakPolarHBondContact O-CB 3.41Å; T156-T159 PolarHBondContact O-N 2.87Å; T156-T159 VanDerWaalsContact O-N 3.08Å; T156-T159 PolarHBondContact O-OG1 3.28Å; T156-T159 PolarHBondContact OG1-OG1 2.85Å; T159-L161 VanDerWaalsContact CG2-O 3.29Å; T159-L161 WeakPolarHBondContact CG2-O 3.44Å; T159-R162 HydrophobicContact CG2-CG 3.7Å
160	L	95.9	Very high	92.7	Very high	30 Å²	30	35.1 Å²	35.1	16%	0.157	21%	0.205	C	C	.	.	S	Bend	trans	-83.7	-38.2	-177	-53.8	177.7	0	0	0	112.5	Y46 F111 L115 V116 E144 D158	Y46-L160 HydrophobicContact CD1-CD1 3.96Å; F111-L160 HydrophobicContact CD1-CD2 4.41Å; F111-L160 HydrophobicContact CD2-CD2 4.31Å; F111-L160 HydrophobicContact CE1-CB 4.1Å; F111-L160 HydrophobicContact CE1-CD2 4.17Å; F111-L160 HydrophobicContact CE2-CD1 4.03Å; F111-L160 HydrophobicContact CE2-CD2 4.06Å; F111-L160 HydrophobicContact CG-CD2 4.48Å; F111-L160 HydrophobicContact CZ-CB 4.1Å; F111-L160 HydrophobicContact CZ-CD1 3.81Å; F111-L160 HydrophobicContact CZ-CD2 4Å; F111-L160 HydrophobicContact CZ-CG 4.19Å; L115-L160 HydrophobicContact CD2-CD2 4.21Å; V116-L160 PolarHBondContact N-O 3.17Å; E144-L160 HydrophobicContact CB-CD1 4.18Å; E144-L160 HydrophobicContact CB-CG 4.35Å; E144-L160 HydrophobicContact CG-CD1 4.22Å; E144-L160 PolarHBondContact O-N 2.82Å; D158-L160 PolarHBondContact O-N 3.17Å; D158-L160 VanDerWaalsContact O-N 3.17Å
161	L	97.9	Very high	92.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.9	178.3	176.7	58.3	0	0	0	110.6	A99 V103 V116 V133 E144 V145 G146 T159 F163	A99-L161 HydrophobicContact CB-CD1 4.23Å; A99-L161 HydrophobicContact CB-CD2 4.12Å; V103-L161 HydrophobicContact CG2-CB 3.71Å; V103-L161 HydrophobicContact CG2-CD1 4.16Å; V103-L161 HydrophobicContact CG2-CD2 4.01Å; V103-L161 HydrophobicContact CG2-CG 4.17Å; V116-L161 HydrophobicContact CB-CD1 4.01Å; V116-L161 HydrophobicContact CG1-CD1 3.65Å; V116-L161 WeakPolarHBondContact O-CA 3.4Å; V133-L161 HydrophobicContact CG1-CD2 3.76Å; E144-L161 PolarHBondContact O-N 2.98Å; V145-L161 HydrophobicContact CG1-CD2 4.38Å; V145-L161 HydrophobicContact CG2-CB 4.41Å; G146-L161 PolarHBondContact N-O 3.07Å; T159-L161 VanDerWaalsContact CG2-O 3.29Å; T159-L161 WeakPolarHBondContact CG2-O 3.44Å; L161-F163 HydrophobicContact CD1-CE2 4.46Å; L161-F163 HydrophobicContact CD2-CE2 3.63Å; L161-F163 HydrophobicContact CD2-CZ 4Å; L161-F163 HydrophobicContact CG-CD2 4.34Å; L161-F163 HydrophobicContact CG-CE2 3.87Å; L161-F163 HydrophobicContact CG-CZ 4.44Å
162	R	97.7	Very high	93.2	Very high	29 Å²	29	33.6 Å²	33.6	11%	0.109	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.9	177	-59.3	-174.6	-170.9	160.3	2.5	110.8	V116 C117 C118 T159 V164	V116-R162 PolarHBondContact O-N 3.48Å; C117-R162 CarbonylContact C-O 3.57Å; C117-R162 WeakPolarHBondContact CA-O 3.41Å; C118-R162 PolarHBondContact N-O 3.16Å; T159-R162 HydrophobicContact CG2-CG 3.7Å; R162-V164 HydrophobicContact CB-CG1 4.13Å
163	F	97.9	Very high	93.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.6	164.7	-71.5	-87.6	0	0	0	109.5	A99 C118 A126 L129 A130 V133 V145 G146 Y147 R148 L161	A99-F163 HydrophobicContact CB-CE1 4.33Å; A99-F163 HydrophobicContact CB-CZ 3.96Å; C118-F163 HydrophobicContact CB-CD1 3.79Å; C118-F163 HydrophobicContact CB-CE1 3.83Å; C118-F163 CarbonylContact O-C 3.55Å; C118-F163 WeakPolarHBondContact O-CA 3.48Å; A126-F163 HydrophobicContact CB-CB 4.15Å; L129-F163 HydrophobicContact CB-CD1 3.88Å; L129-F163 HydrophobicContact CB-CE1 3.77Å; L129-F163 HydrophobicContact CB-CG 4.41Å; L129-F163 HydrophobicContact CB-CZ 4.22Å; L129-F163 HydrophobicContact CD1-CD1 4.44Å; L129-F163 HydrophobicContact CD1-CE1 4.33Å; A130-F163 HydrophobicContact CB-CB 4.21Å; A130-F163 HydrophobicContact CB-CD2 3.64Å; A130-F163 HydrophobicContact CB-CE2 4.4Å; A130-F163 HydrophobicContact CB-CG 4.19Å; V133-F163 HydrophobicContact CB-CE2 4.01Å; V133-F163 HydrophobicContact CB-CZ 4.15Å; V133-F163 HydrophobicContact CG1-CE2 4.23Å; V133-F163 HydrophobicContact CG1-CZ 4.41Å; V133-F163 HydrophobicContact CG2-CE2 4.22Å; V133-F163 HydrophobicContact CG2-CZ 3.84Å; V145-F163 HydrophobicContact CG1-CD2 4.48Å; V145-F163 HydrophobicContact CG1-CE2 4.24Å; G146-F163 PolarHBondContact O-N 2.85Å; Y147-F163 CarbonylContact C-O 3.57Å; Y147-F163 WeakPolarHBondContact CA-O 3.36Å; Y147-F163 WeakPolarHBondContact CB-O 3.34Å; R148-F163 PolarHBondContact N-O 2.91Å; L161-F163 HydrophobicContact CD1-CE2 4.46Å; L161-F163 HydrophobicContact CD2-CE2 3.63Å; L161-F163 HydrophobicContact CD2-CZ 4Å; L161-F163 HydrophobicContact CG-CD2 4.34Å; L161-F163 HydrophobicContact CG-CE2 3.87Å; L161-F163 HydrophobicContact CG-CZ 4.44Å
164	V	97.1	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	159.6	-175.5	-54.8	0	0	0	0	111.6	C117 C118 S119 Q120 R148 R162 L168 L169	C117-V164 WeakPolarHBondContact SG-CG2 3.3Å; C118-V164 PolarHBondContact O-N 2.88Å; S119-V164 CarbonylContact C-O 3.55Å; S119-V164 VanDerWaalsContact CA-O 3.3Å; S119-V164 WeakPolarHBondContact CA-O 3.43Å; Q120-V164 PolarHBondContact N-O 2.95Å; R148-V164 HydrophobicContact CB-CG1 4.14Å; R148-V164 VanDerWaalsContact O-CA 3.24Å; R148-V164 WeakPolarHBondContact O-CA 3.37Å; R162-V164 HydrophobicContact CB-CG1 4.13Å; V164-L168 HydrophobicContact CB-CD2 4.2Å; V164-L168 HydrophobicContact CG1-CD2 4.3Å; V164-L169 HydrophobicContact CG2-CB 3.95Å
165	S	95.7	Very high	92.6	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.028	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	147.5	163.3	63.8	0	0	0	0	110	Q120 R148 S167 L168 L169	Q120-S165 WeakPolarHBondContact O-CA 3.18Å; R148-S165 PolarHBondContact O-N 3.26Å; S165-S167 PolarHBondContact O-N 2.87Å; S165-L168 PolarHBondContact O-N 3.21Å; S165-L168 VanDerWaalsContact OG-CB 3.24Å; S165-L168 WeakPolarHBondContact OG-CB 3.45Å; S165-L168 PolarHBondContact OG-N 2.94Å; S165-L169 PolarHBondContact O-N 3.36Å; S165-L169 VanDerWaalsContact O-N 3.08Å
166	D	95.7	Very high	92.5	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-59.6	-34.9	175.3	61.7	-8.2	0	0	0	113	Q120 L169 L170 T194 P196 T197 L200	Q120-D166 PolarHBondContact O-N 3.17Å; D166-L169 PolarHBondContact O-N 3.11Å; D166-L170 PolarHBondContact O-N 3.05Å; D166-T194 WeakPolarHBondContact OD2-CB 3.5Å; D166-T194 PolarHBondContact OD2-OG1 3.29Å; D166-P196 HydrophobicContact CB-CB 4.12Å; D166-T197 PolarHBondContact OD2-OG1 2.85Å; D166-L200 HydrophobicContact CB-CD1 4.28Å; D166-L200 WeakPolarHBondContact O-CD1 3.39Å
167	S	92.7	Very high	92.4	Very high	46 Å²	46	31.8 Å²	31.8	32%	0.322	19%	0.186	S	C	.	.	H	α-helix	trans	-62.7	-46.5	175.4	-54.7	0	0	0	0	111.4	S165 L169 L170 E171 P196	S165-S167 PolarHBondContact O-N 2.87Å; S167-L169 PolarHBondContact O-N 3.11Å; S167-L170 PolarHBondContact O-N 2.9Å; S167-E171 WeakPolarHBondContact O-CG 3.47Å; S167-E171 PolarHBondContact O-N 2.93Å; S167-P196 WeakPolarHBondContact OG-CG 3.2Å
168	L	92.8	Very high	92.6	Very high	15 Å²	15	27.8 Å²	27.8	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-66.6	-38.5	179.2	-174.6	140.6	0	0	0	111.7	R148 V164 S165 L170 E171 E172	R148-L168 HydrophobicContact CG-CD1 3.96Å; R148-L168 HydrophobicContact CG-CD2 4.08Å; V164-L168 HydrophobicContact CB-CD2 4.2Å; V164-L168 HydrophobicContact CG1-CD2 4.3Å; S165-L168 PolarHBondContact O-N 3.21Å; S165-L168 VanDerWaalsContact OG-CB 3.24Å; S165-L168 WeakPolarHBondContact OG-CB 3.45Å; S165-L168 PolarHBondContact OG-N 2.94Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.38Å; L168-E171 PolarHBondContact O-N 3.46Å; L168-E172 HydrophobicContact CD2-CG 4.22Å; L168-E172 WeakPolarHBondContact CD2-OE1 3.27Å; L168-E172 WeakPolarHBondContact O-CG 3.45Å; L168-E172 PolarHBondContact O-N 3.04Å
169	L	95.3	Very high	92.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.5	-39.9	174.1	-178.2	59.3	0	0	0	112	V164 S165 D166 S167 E172 M173 L179 Y182 V185 L187 L200	V164-L169 HydrophobicContact CG2-CB 3.95Å; S165-L169 PolarHBondContact O-N 3.36Å; S165-L169 VanDerWaalsContact O-N 3.08Å; D166-L169 PolarHBondContact O-N 3.11Å; S167-L169 PolarHBondContact O-N 3.11Å; L169-E172 PolarHBondContact O-N 3.1Å; L169-M173 WeakPolarHBondContact O-CG 3.35Å; L169-M173 PolarHBondContact O-N 3.31Å; L169-L179 HydrophobicContact CD1-CD1 4.08Å; L169-L179 HydrophobicContact CD1-CD2 4.15Å; L169-Y182 HydrophobicContact CD1-CE2 4.08Å; L169-V185 HydrophobicContact CD2-CG1 3.77Å; L169-L187 HydrophobicContact CD2-CD2 4.16Å; L169-L200 HydrophobicContact CB-CD1 4.3Å; L169-L200 HydrophobicContact CD2-CD1 4.06Å; L169-L200 HydrophobicContact CD2-CD2 4.39Å; L169-L200 HydrophobicContact CG-CD1 4.27Å; L169-L200 HydrophobicContact CG-CD2 4.15Å
170	L	93	Very high	92.9	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-39.2	175.4	-179.6	62.3	0	0	0	111.8	D166 S167 L168 M173 P196 V199 L200 L203 L453 L456	D166-L170 PolarHBondContact O-N 3.05Å; S167-L170 PolarHBondContact O-N 2.9Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.38Å; L170-M173 WeakPolarHBondContact O-CB 3.3Å; L170-M173 PolarHBondContact O-N 3.29Å; L170-P196 HydrophobicContact CB-CB 4.33Å; L170-P196 HydrophobicContact CD2-CB 4.02Å; L170-V199 HydrophobicContact CD1-CG1 3.89Å; L170-V199 HydrophobicContact CD2-CB 4.5Å; L170-V199 HydrophobicContact CD2-CG1 4.33Å; L170-L200 HydrophobicContact CB-CD2 4.19Å; L170-L200 HydrophobicContact CB-CG 4.25Å; L170-L200 HydrophobicContact CD1-CD2 4.13Å; L170-L200 HydrophobicContact CD1-CG 4.37Å; L170-L203 HydrophobicContact CD1-CD1 3.75Å; L170-L453 HydrophobicContact CD2-CD1 4.17Å; L170-L456 HydrophobicContact CD2-CD1 3.89Å; L170-L456 HydrophobicContact CG-CD1 4.09Å
171	E	89.3	Confident	92.7	Very high	49 Å²	49	31.1 Å²	31.1	23%	0.229	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-40.3	175.2	-71.8	167.3	-168.6	0	0	112.1	S167 L168 M173 M174 H452	S167-E171 WeakPolarHBondContact O-CG 3.47Å; S167-E171 PolarHBondContact O-N 2.93Å; L168-E171 PolarHBondContact O-N 3.46Å; E171-M173 VanDerWaalsContact C-N 3.25Å; E171-M173 PolarHBondContact O-N 3.11Å; E171-M174 HydrophobicContact CB-CE 4.07Å; E171-M174 HydrophobicContact CG-CE 4.14Å; E171-M174 VanDerWaalsContact O-CB 3.23Å; E171-M174 WeakPolarHBondContact O-CB 3.37Å; E171-M174 PolarHBondContact O-N 3.4Å; E171-H452 IonicContact OE1-CE1 3.32Å
172	E	90.2	Very high	92.7	Very high	17 Å²	17	31.1 Å²	31.1	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-35	173.5	-75	-174.4	177.8	0	0	112.2	R148 L168 L169 M174 S175 D176 Q181 Y182	R148-E172 IonicContact CZ-OE1 3.87Å; R148-E172 IonicContact NH1-OE1 3.62Å; R148-E172 PolarHBondContact NH1-OE1 2.98Å; L168-E172 HydrophobicContact CD2-CG 4.22Å; L168-E172 WeakPolarHBondContact CD2-OE1 3.27Å; L168-E172 WeakPolarHBondContact O-CG 3.45Å; L168-E172 PolarHBondContact O-N 3.04Å; L169-E172 PolarHBondContact O-N 3.1Å; E172-M174 PolarHBondContact O-N 3.37Å; E172-S175 PolarHBondContact O-N 2.9Å; E172-S175 PolarHBondContact O-OG 2.64Å; E172-D176 PolarHBondContact O-N 2.79Å; E172-Q181 PolarHBondContact OE2-NE2 3.46Å; E172-Y182 WeakPolarHBondContact OE2-CE2 3.43Å; E172-Y182 PolarHBondContact OE2-OH 3.45Å; E172-Y182 VanDerWaalsContact OE2-OH 3.12Å
173	M	90	Very high	92.6	Very high	4 Å²	4	30 Å²	30	2%	0.02	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-25	174.4	-70.5	-168.7	72.2	0	0	112.7	L169 L170 E171 S175 D176 P177 L179 L200 L203 V207 L460	L169-M173 WeakPolarHBondContact O-CG 3.35Å; L169-M173 PolarHBondContact O-N 3.31Å; L170-M173 WeakPolarHBondContact O-CB 3.3Å; L170-M173 PolarHBondContact O-N 3.29Å; E171-M173 VanDerWaalsContact C-N 3.25Å; E171-M173 PolarHBondContact O-N 3.11Å; M173-S175 VanDerWaalsContact C-N 3.3Å; M173-S175 PolarHBondContact O-N 3.41Å; M173-D176 CarbonylContact O-C 3.56Å; M173-D176 VanDerWaalsContact O-C 3.28Å; M173-P177 WeakPolarHBondContact CE-O 3.27Å; M173-P177 WeakPolarHBondContact O-CA 3.33Å; M173-P177 WeakPolarHBondContact O-CD 3.41Å; M173-P177 WeakPolarHBondContact O-CG 3.26Å; M173-L179 HydrophobicContact CE-CD1 4.47Å; M173-L179 HydrophobicContact CG-CD1 3.8Å; M173-L179 HydrophobicContact CG-CD2 3.59Å; M173-L179 HydrophobicContact CG-CG 3.71Å; M173-L179 HydrophobicContact SD-CD1 4.01Å; M173-L179 HydrophobicContact SD-CG 4.43Å; M173-L200 HydrophobicContact CG-CD2 4.4Å; M173-L200 HydrophobicContact SD-CD2 3.43Å; M173-L200 WeakPolarHBondContact SD-CD2 3.34Å; M173-L203 HydrophobicContact CE-CB 3.78Å; M173-L203 HydrophobicContact CE-CD1 4.19Å; M173-L203 HydrophobicContact SD-CB 4.29Å; M173-L203 HydrophobicContact SD-CD1 4.18Å; M173-V207 HydrophobicContact CE-CG2 3.81Å; M173-L460 VanDerWaalsContact O-CD2 3.24Å; M173-L460 WeakPolarHBondContact O-CD2 3.44Å
174	M	82.5	Confident	92.6	Very high	33 Å²	33	30 Å²	30	16%	0.163	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-38.1	176.1	-65.8	-164.1	-78.6	0	0	112.8	E171 E172 L456 R459 S506	E171-M174 HydrophobicContact CB-CE 4.07Å; E171-M174 HydrophobicContact CG-CE 4.14Å; E171-M174 VanDerWaalsContact O-CB 3.23Å; E171-M174 WeakPolarHBondContact O-CB 3.37Å; E171-M174 PolarHBondContact O-N 3.4Å; E172-M174 PolarHBondContact O-N 3.37Å; M174-L456 HydrophobicContact CE-CD2 3.42Å; M174-L456 VanDerWaalsContact CE-CD2 3.42Å; M174-L456 HydrophobicContact CG-CB 4.37Å; M174-L456 HydrophobicContact CG-CD2 4.16Å; M174-L456 HydrophobicContact SD-CB 4.1Å; M174-L456 HydrophobicContact SD-CD2 3.1Å; M174-L456 WeakPolarHBondContact SD-CD2 3.28Å; M174-L456 HydrophobicContact SD-CG 4.13Å; M174-R459 HydrophobicContact CB-CG 4.43Å; M174-R459 HydrophobicContact SD-CB 4.42Å; M174-R459 HydrophobicContact SD-CG 4.23Å; M174-S506 WeakPolarHBondContact CE-O 3.44Å
175	S	84.7	Confident	92.7	Very high	100 Å²	100	30 Å²	30	70%	0.699	16%	0.158	S	C	*	.	H	α-helix	trans	-90.8	-31.6	-178.8	30	0	0	0	0	111.9	E172 M173	E172-S175 PolarHBondContact O-N 2.9Å; E172-S175 PolarHBondContact O-OG 2.64Å; M173-S175 VanDerWaalsContact C-N 3.3Å; M173-S175 PolarHBondContact O-N 3.41Å
176	D	90.4	Very high	92.8	Very high	32 Å²	32	29.8 Å²	29.8	17%	0.171	16%	0.157	C	C	.	.			trans	-130.5	85.5	170.9	-173.2	14.5	0	0	0	111.8	E172 M173 L178 L179 R180	E172-D176 PolarHBondContact O-N 2.79Å; M173-D176 CarbonylContact O-C 3.56Å; M173-D176 VanDerWaalsContact O-C 3.28Å; D176-L178 PolarHBondContact O-N 3.35Å; D176-L179 PolarHBondContact O-N 3.06Å; D176-R180 IonicContact OD1-CZ 2.83Å; D176-R180 IonicContact OD1-NH1 2.61Å; D176-R180 PolarHBondContact OD1-NH1 2.96Å; D176-R180 WeakPolarHBondContact OD2-CB 3.39Å; D176-R180 PolarHBondContact OD2-N 3.46Å
177	P	90.6	Very high	92.9	Very high	61 Å²	61	29.6 Å²	29.6	40%	0.396	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.8	-176	-27.1	34.6	0	0	0	115.1	M173 V207 L460	M173-P177 WeakPolarHBondContact CE-O 3.27Å; M173-P177 WeakPolarHBondContact O-CA 3.33Å; M173-P177 WeakPolarHBondContact O-CD 3.41Å; M173-P177 WeakPolarHBondContact O-CG 3.26Å; P177-V207 WeakPolarHBondContact O-CG2 3.4Å; P177-L460 HydrophobicContact CB-CD2 4.1Å; P177-L460 HydrophobicContact CG-CD2 3.87Å
178	L	92.6	Very high	93.2	Very high	32 Å²	32	27.4 Å²	27.4	17%	0.168	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-1	178.6	-66.7	-174.6	0	0	0	113.2	D176 R180 V207 Q210 R211	D176-L178 PolarHBondContact O-N 3.35Å; L178-R180 VanDerWaalsContact C-N 3.27Å; L178-R180 HydrophobicContact CB-CG 4.13Å; L178-R180 PolarHBondContact O-N 2.98Å; L178-V207 HydrophobicContact CD2-CG1 4.47Å; L178-Q210 HydrophobicContact CD2-CB 3.97Å; L178-R211 VanDerWaalsContact O-CD 3.28Å; L178-R211 WeakPolarHBondContact O-CD 2.96Å; L178-R211 PolarHBondContact O-NH1 2.83Å
179	L	94.8	Very high	93.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.			trans	48.8	46.3	179.9	-66.4	178.1	0	0	0	112.8	L169 M173 D176 Q181 Y182 V185 L204 R211 F215	L169-L179 HydrophobicContact CD1-CD1 4.08Å; L169-L179 HydrophobicContact CD1-CD2 4.15Å; M173-L179 HydrophobicContact CE-CD1 4.47Å; M173-L179 HydrophobicContact CG-CD1 3.8Å; M173-L179 HydrophobicContact CG-CD2 3.59Å; M173-L179 HydrophobicContact CG-CG 3.71Å; M173-L179 HydrophobicContact SD-CD1 4.01Å; M173-L179 HydrophobicContact SD-CG 4.43Å; D176-L179 PolarHBondContact O-N 3.06Å; L179-Q181 PolarHBondContact O-N 2.86Å; L179-Q181 VanDerWaalsContact O-N 3.13Å; L179-Y182 HydrophobicContact CB-CD2 4.14Å; L179-Y182 HydrophobicContact CD2-CD2 4.26Å; L179-Y182 HydrophobicContact CD2-CE2 4.4Å; L179-Y182 PolarHBondContact O-N 3.37Å; L179-V185 HydrophobicContact CD1-CG2 4.13Å; L179-L204 HydrophobicContact CD1-CD2 3.91Å; L179-R211 PolarHBondContact O-NH1 2.92Å; L179-F215 HydrophobicContact CB-CE2 4.42Å; L179-F215 HydrophobicContact CD1-CZ 4.47Å
180	R	93.7	Very high	93.2	Very high	155 Å²	155	27 Å²	27	59%	0.585	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.9	-173.5	-65.3	-179.6	178.4	90.8	-8.9	113.4	D176 L178 Y182	D176-R180 IonicContact OD1-CZ 2.83Å; D176-R180 IonicContact OD1-NH1 2.61Å; D176-R180 PolarHBondContact OD1-NH1 2.96Å; D176-R180 WeakPolarHBondContact OD2-CB 3.39Å; D176-R180 PolarHBondContact OD2-N 3.46Å; L178-R180 VanDerWaalsContact C-N 3.27Å; L178-R180 HydrophobicContact CB-CG 4.13Å; L178-R180 PolarHBondContact O-N 2.98Å; R180-Y182 PolarHBondContact O-N 3.34Å
181	Q	93.3	Very high	93.3	Very high	67 Å²	67	26.9 Å²	26.9	31%	0.313	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.6	174	61.9	171.5	-16.9	0	0	113.4	G114 L115 E172 L179	G114-Q181 WeakPolarHBondContact CA-O 3.41Å; L115-Q181 PolarHBondContact N-O 3.36Å; E172-Q181 PolarHBondContact OE2-NE2 3.46Å; L179-Q181 PolarHBondContact O-N 2.86Å; L179-Q181 VanDerWaalsContact O-N 3.13Å
182	Y	96.2	Very high	93.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.9	-175.6	-58	-52.8	0	0	0	112.3	L115 C117 L169 E172 L179 R180 V185 R211 F215	L115-Y182 HydrophobicContact CB-CD1 4.2Å; L115-Y182 WeakPolarHBondContact O-CA 3.28Å; C117-Y182 HydrophobicContact CB-CD1 3.68Å; C117-Y182 HydrophobicContact CB-CD2 4.02Å; C117-Y182 HydrophobicContact CB-CE1 3.61Å; C117-Y182 HydrophobicContact CB-CE2 3.94Å; C117-Y182 HydrophobicContact CB-CG 3.91Å; L169-Y182 HydrophobicContact CD1-CE2 4.08Å; E172-Y182 WeakPolarHBondContact OE2-CE2 3.43Å; E172-Y182 PolarHBondContact OE2-OH 3.45Å; E172-Y182 VanDerWaalsContact OE2-OH 3.12Å; L179-Y182 HydrophobicContact CB-CD2 4.14Å; L179-Y182 HydrophobicContact CD2-CD2 4.26Å; L179-Y182 HydrophobicContact CD2-CE2 4.4Å; L179-Y182 PolarHBondContact O-N 3.37Å; R180-Y182 PolarHBondContact O-N 3.34Å; Y182-V185 HydrophobicContact CD2-CG2 4.24Å; Y182-V185 HydrophobicContact CG-CG2 4.38Å; Y182-R211 PolarHBondContact O-NH1 3.45Å; Y182-R211 PolarHBondContact O-NH2 3.08Å; Y182-F215 WeakPolarHBondContact O-CD2 3.43Å
183	H	96.4	Very high	93.6	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.019	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-44.5	164.9	-178.6	-161.6	0	0	0	110.3	F105 H113 G114 L115 G214 F215 R216	F105-H183 AromaticContact CD1-CE1 3.93Å; F105-H183 AromaticContact CE1-CE1 3.59Å; F105-H183 AromaticContact CE1-NE2 3.91Å; H113-H183 HydrophobicContact CB-CB 3.97Å; H113-H183 VanDerWaalsContact CB-CD2 3.45Å; H113-H183 WeakPolarHBondContact CB-CD2 3.4Å; H113-H183 WeakPolarHBondContact O-CA 3.34Å; H113-H183 WeakPolarHBondContact O-CB 3.28Å; H113-H183 PolarHBondContact O-N 3.49Å; G114-H183 VanDerWaalsContact O-CB 3.26Å; G114-H183 WeakPolarHBondContact O-CB 3.5Å; L115-H183 PolarHBondContact O-N 3.02Å; H183-G214 PolarHBondContact CD2-O 3.24Å; H183-F215 WeakPolarHBondContact O-CA 3.35Å; H183-R216 PolarHBondContact O-N 3.32Å
184	L	97.6	Very high	93.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.7	179.8	-64	101.9	0	0	0	111.8	L78 C102 F105 A106 L115 V116 C117 R216	L78-L184 HydrophobicContact CD1-CD2 4.04Å; L78-L184 HydrophobicContact CD2-CD2 4.17Å; C102-L184 HydrophobicContact CB-CB 4.43Å; C102-L184 HydrophobicContact CB-CD2 4.01Å; F105-L184 HydrophobicContact CD1-CD1 3.91Å; F105-L184 HydrophobicContact CD1-CD2 3.97Å; F105-L184 HydrophobicContact CD1-CG 4.46Å; A106-L184 HydrophobicContact CB-CD1 3.87Å; L115-L184 PolarHBondContact O-N 3.03Å; V116-L184 HydrophobicContact CG1-CB 4.33Å; V116-L184 HydrophobicContact CG2-CB 4.38Å; V116-L184 HydrophobicContact CG2-CD1 4.14Å; C117-L184 PolarHBondContact N-O 3.39Å; L184-R216 WeakPolarHBondContact CA-O 3.45Å; L184-R216 HydrophobicContact CD2-CB 3.89Å; L184-R216 HydrophobicContact CG-CB 4Å
185	V	98.4	Very high	94.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.1	169.4	173.2	0	0	0	0	109.1	C117 L169 L179 Y182 L187 L204 F215 R216 V217 V218	C117-V185 HydrophobicContact CB-CG2 4.36Å; C117-V185 CarbonylContact O-C 3.57Å; C117-V185 WeakPolarHBondContact O-CA 3.43Å; L169-V185 HydrophobicContact CD2-CG1 3.77Å; L179-V185 HydrophobicContact CD1-CG2 4.13Å; Y182-V185 HydrophobicContact CD2-CG2 4.24Å; Y182-V185 HydrophobicContact CG-CG2 4.38Å; V185-L187 HydrophobicContact CG1-CD2 4.06Å; V185-L204 HydrophobicContact CG1-CD1 4Å; V185-F215 HydrophobicContact CB-CE2 4.44Å; V185-F215 HydrophobicContact CB-CZ 4.06Å; V185-F215 HydrophobicContact CG2-CE2 3.71Å; V185-F215 HydrophobicContact CG2-CZ 3.65Å; V185-R216 PolarHBondContact N-O 2.91Å; V185-V217 CarbonylContact O-C 3.53Å; V185-V217 VanDerWaalsContact O-CA 3.3Å; V185-V217 WeakPolarHBondContact O-CA 3.24Å; V185-V218 PolarHBondContact O-N 3.24Å
186	V	98.6	Very high	94.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.6	175.1	-172.8	0	0	0	0	108.2	C102 C117 C118 S119 V218 L220	C102-V186 HydrophobicContact CB-CG2 4.48Å; C117-V186 PolarHBondContact O-N 3.16Å; C118-V186 CarbonylContact C-O 3.54Å; C118-V186 WeakPolarHBondContact CA-O 3.46Å; C118-V186 HydrophobicContact CB-CB 4.12Å; S119-V186 PolarHBondContact N-O 3.27Å; S119-V186 PolarHBondContact OG-O 3.27Å; V186-V218 CarbonylContact C-O 3.56Å; V186-V218 WeakPolarHBondContact CA-O 3.42Å; V186-V218 HydrophobicContact CB-CB 4.47Å; V186-V218 HydrophobicContact CG1-CB 4.25Å; V186-V218 HydrophobicContact CG1-CG1 4.29Å; V186-V218 HydrophobicContact CG2-CB 4.15Å; V186-L220 HydrophobicContact CG1-CD1 3.56Å; V186-L220 HydrophobicContact CG1-CG 3.8Å
187	L	98.4	Very high	95.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.8	167.4	-59	-169.4	0	0	0	109.1	S119 L169 V185 L190 L200 L204 V218 L219 L220	S119-L187 WeakPolarHBondContact OG-CA 3.5Å; S119-L187 WeakPolarHBondContact OG-CD2 3.38Å; L169-L187 HydrophobicContact CD2-CD2 4.16Å; V185-L187 HydrophobicContact CG1-CD2 4.06Å; L187-L190 HydrophobicContact CB-CD2 4.29Å; L187-L190 HydrophobicContact CD1-CD2 4.48Å; L187-L200 HydrophobicContact CD1-CB 4.14Å; L187-L200 HydrophobicContact CD2-CB 4.37Å; L187-L200 HydrophobicContact CD2-CD1 4.18Å; L187-L204 HydrophobicContact CD1-CD1 3.8Å; L187-L204 HydrophobicContact CD2-CD1 3.94Å; L187-L204 HydrophobicContact CG-CD1 3.91Å; L187-V218 PolarHBondContact N-O 2.84Å; L187-L219 HydrophobicContact CB-CD2 3.89Å; L187-L219 HydrophobicContact CD1-CD2 3.87Å; L187-L219 HydrophobicContact CG-CD2 4.04Å; L187-L220 PolarHBondContact O-N 3.44Å
188	D	97.6	Very high	95.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.067	C	C	.	.			trans	-101.4	161.9	-179.4	-161.7	12.8	0	0	0	113.3	S95 S119 Q120 L190 L220	S95-D188 WeakPolarHBondContact CA-OD2 3.48Å; S95-D188 WeakPolarHBondContact CB-OD2 3.32Å; S95-D188 PolarHBondContact OG-OD2 3.4Å; S119-D188 WeakPolarHBondContact O-CB 3.5Å; S119-D188 PolarHBondContact O-N 2.83Å; Q120-D188 PolarHBondContact NE2-OD2 2.91Å; D188-L190 VanDerWaalsContact C-N 3.26Å; D188-L190 PolarHBondContact O-N 2.61Å; D188-L220 HydrophobicContact CB-CB 4.43Å; D188-L220 HydrophobicContact CB-CD1 4.17Å; D188-L220 VanDerWaalsContact OD1-CB 3.26Å; D188-L220 WeakPolarHBondContact OD1-CB 3.45Å
189	E	94.3	Very high	95.3	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.019	6%	0.059	C	C	.	.			trans	53.1	39.8	178.3	-67.6	-69.9	125.1	0	0	113.2	P121 Q191 E192 L220 S370	P121-E189 HydrophobicContact CG-CB 3.85Å; E189-Q191 PolarHBondContact O-N 3.21Å; E189-Q191 PolarHBondContact OE1-NE2 3.36Å; E189-Q191 VanDerWaalsContact OE1-NE2 3.13Å; E189-Q191 PolarHBondContact OE2-NE2 2.81Å; E189-E192 HydrophobicContact CB-CG 4.25Å; E189-E192 WeakPolarHBondContact O-CB 3.4Å; E189-E192 PolarHBondContact O-N 3.33Å; E189-L220 PolarHBondContact N-O 3.28Å; E189-S370 PolarHBondContact OE1-OG 3.48Å
190	L	95.5	Very high	95.3	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-53	-22.6	-179.3	-76.5	157.1	0	0	0	113.8	L187 D188 E192 R193 T197 L219 L220 A221 L225 L229	L187-L190 HydrophobicContact CB-CD2 4.29Å; L187-L190 HydrophobicContact CD1-CD2 4.48Å; D188-L190 VanDerWaalsContact C-N 3.26Å; D188-L190 PolarHBondContact O-N 2.61Å; L190-E192 PolarHBondContact O-N 3.13Å; L190-R193 WeakPolarHBondContact O-CD 3.47Å; L190-R193 PolarHBondContact O-N 3.16Å; L190-T197 HydrophobicContact CD2-CG2 3.55Å; L190-T197 HydrophobicContact CG-CG2 4.49Å; L190-L219 HydrophobicContact CD1-CB 3.59Å; L190-L219 HydrophobicContact CD1-CD2 4.13Å; L190-L219 HydrophobicContact CD1-CG 4.36Å; L190-L220 WeakPolarHBondContact CD1-O 3.32Å; L190-L220 PolarHBondContact N-O 3.1Å; L190-A221 HydrophobicContact CB-CB 4.07Å; L190-A221 HydrophobicContact CD1-CB 4.18Å; L190-L225 VanDerWaalsContact C-CD2 3.48Å; L190-L225 HydrophobicContact CB-CD2 4.04Å; L190-L225 VanDerWaalsContact O-CD2 3.22Å; L190-L225 WeakPolarHBondContact O-CD2 3.41Å; L190-L229 HydrophobicContact CB-CD1 4.2Å; L190-L229 HydrophobicContact CD1-CD1 4.01Å
191	Q	93.6	Very high	95.3	Very high	5 Å²	5	6.2 Å²	6.2	2%	0.023	3%	0.032	C	C	.	.	G	3₁₀ helix	trans	-64.4	-15.6	172	63.3	-87.7	8.4	0	0	115.4	E189 R193 H222	E189-Q191 PolarHBondContact O-N 3.21Å; E189-Q191 PolarHBondContact OE1-NE2 3.36Å; E189-Q191 VanDerWaalsContact OE1-NE2 3.13Å; E189-Q191 PolarHBondContact OE2-NE2 2.81Å; Q191-R193 VanDerWaalsContact C-N 3.28Å; Q191-H222 HydrophobicContact CB-CB 4.21Å; Q191-H222 HydrophobicContact CG-CB 4.21Å
192	E	92.9	Very high	95.2	Very high	5 Å²	5	3 Å²	3	2%	0.023	2%	0.017	C	C	.	.	G	3₁₀ helix	trans	-71.5	-24.2	173.4	-74	-62.5	147	0	0	112.6	P121 E189 L190 T194 R441 R444	P121-E192 HydrophobicContact CB-CB 4Å; P121-E192 HydrophobicContact CB-CG 4.02Å; P121-E192 HydrophobicContact CG-CB 3.81Å; P121-E192 HydrophobicContact CG-CG 3.88Å; E189-E192 HydrophobicContact CB-CG 4.25Å; E189-E192 WeakPolarHBondContact O-CB 3.4Å; E189-E192 PolarHBondContact O-N 3.33Å; L190-E192 PolarHBondContact O-N 3.13Å; E192-T194 HydrophobicContact CB-CG2 4.16Å; E192-T194 PolarHBondContact O-N 2.98Å; E192-R441 IonicContact OE1-CZ 3.96Å; E192-R441 IonicContact OE1-NH1 3.67Å; E192-R441 PolarHBondContact OE1-NH1 3.5Å; E192-R441 IonicContact OE1-NH2 3.88Å; E192-R441 PolarHBondContact OE1-NH2 3.26Å; E192-R441 IonicContact OE2-CZ 3.89Å; E192-R441 IonicContact OE2-NH1 3.61Å; E192-R441 PolarHBondContact OE2-NH1 3.17Å; E192-R441 IonicContact OE2-NH2 2.83Å; E192-R444 PolarHBondContact O-NE 3.22Å; E192-R444 IonicContact OE2-NH2 2.72Å; E192-R444 PolarHBondContact OE2-NH2 3.03Å; E192-R444 VanDerWaalsContact OE2-NH2 3.13Å
193	R	94.3	Very high	95	Very high	5 Å²	5	3.7 Å²	3.7	2%	0.019	2%	0.02	C	C	.	.			trans	48.6	42.7	174.9	-59.5	-63.9	-54.1	-81.1	-2.2	113	L190 Q191 D198 P443 R444 D472	L190-R193 WeakPolarHBondContact O-CD 3.47Å; L190-R193 PolarHBondContact O-N 3.16Å; Q191-R193 VanDerWaalsContact C-N 3.28Å; R193-D198 IonicContact CZ-OD1 2.68Å; R193-D198 IonicContact CZ-OD2 3.71Å; R193-D198 IonicContact NE-OD1 3.59Å; R193-D198 PolarHBondContact NE-OD1 3.33Å; R193-D198 IonicContact NE-OD2 3.28Å; R193-D198 PolarHBondContact NE-OD2 2.89Å; R193-D198 IonicContact NH2-OD1 3.73Å; R193-D198 IonicContact NH2-OD2 3.02Å; R193-D198 PolarHBondContact NH2-OD2 3.14Å; R193-P443 HydrophobicContact CB-CB 4.4Å; R193-R444 WeakPolarHBondContact O-CB 3.35Å; R193-R444 WeakPolarHBondContact O-CG 3.19Å; R193-R444 PolarHBondContact O-N 2.89Å; R193-D472 IonicContact CZ-OD2 3.43Å; R193-D472 VanDerWaalsContact CZ-OD2 3.23Å; R193-D472 IonicContact NH1-OD2 2.83Å; R193-D472 PolarHBondContact NH1-OD2 2.89Å; R193-D472 IonicContact NH2-OD2 3.57Å; R193-D472 PolarHBondContact NH2-OD2 3.09Å
194	T	95.1	Very high	94.9	Very high	7 Å²	7	3.5 Å²	3.5	4%	0.043	2%	0.019	C	C	.	.			trans	-66.9	159.2	175.6	61.1	0	0	0	0	110.7	P121 D166 E192 T197 D198	P121-T194 HydrophobicContact CB-CG2 3.87Å; D166-T194 WeakPolarHBondContact OD2-CB 3.5Å; D166-T194 PolarHBondContact OD2-OG1 3.29Å; E192-T194 HydrophobicContact CB-CG2 4.16Å; E192-T194 PolarHBondContact O-N 2.98Å; T194-T197 PolarHBondContact O-N 2.92Å; T194-T197 WeakPolarHBondContact OG1-CB 3.45Å; T194-T197 PolarHBondContact OG1-N 3.3Å; T194-T197 PolarHBondContact OG1-OG1 3.35Å; T194-D198 PolarHBondContact O-N 3.49Å
195	V	94.3	Very high	94.7	Very high	10 Å²	10	4.1 Å²	4.1	6%	0.061	2%	0.024	C	C	.	.	H	α-helix	trans	-59.1	-49.2	177.7	177.9	0	0	0	0	112	T197 D198 V199 R444 V445 E448 L450 L453	V195-T197 PolarHBondContact O-N 3.32Å; V195-D198 PolarHBondContact O-N 3.34Å; V195-V199 WeakPolarHBondContact O-CG2 3.19Å; V195-V199 PolarHBondContact O-N 2.86Å; V195-R444 HydrophobicContact CG2-CB 4.12Å; V195-V445 HydrophobicContact CG2-CB 4.28Å; V195-E448 HydrophobicContact CG2-CB 4.03Å; V195-E448 HydrophobicContact CG2-CG 4.41Å; V195-E448 WeakPolarHBondContact CG2-OE2 3.29Å; V195-L450 HydrophobicContact CG1-CD2 4.3Å; V195-L450 HydrophobicContact CG2-CD2 4.43Å; V195-L453 HydrophobicContact CG1-CB 4.33Å; V195-L453 HydrophobicContact CG1-CD2 3.63Å; V195-L453 HydrophobicContact CG1-CG 4.38Å
196	P	94.6	Very high	94.3	Very high	17 Å²	17	6.6 Å²	6.6	11%	0.11	4%	0.037	C	C	.	.	H	α-helix	trans	-63	-43.6	179.9	-21.1	33.3	0	0	0	112.5	D166 S167 L170 D198 V199 L200	D166-P196 HydrophobicContact CB-CB 4.12Å; S167-P196 WeakPolarHBondContact OG-CG 3.2Å; L170-P196 HydrophobicContact CB-CB 4.33Å; L170-P196 HydrophobicContact CD2-CB 4.02Å; P196-D198 PolarHBondContact O-N 2.91Å; P196-V199 PolarHBondContact O-N 3.22Å; P196-L200 VanDerWaalsContact O-CB 3.31Å; P196-L200 WeakPolarHBondContact O-CB 3.2Å; P196-L200 VanDerWaalsContact O-CG 3.23Å; P196-L200 WeakPolarHBondContact O-CG 3.48Å; P196-L200 PolarHBondContact O-N 3.14Å
197	T	95	Very high	94.1	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-61.3	-45.1	179.4	-68.6	0	0	0	0	112.4	D166 L190 T194 V195 V199 L200 L201	D166-T197 PolarHBondContact OD2-OG1 2.85Å; L190-T197 HydrophobicContact CD2-CG2 3.55Å; L190-T197 HydrophobicContact CG-CG2 4.49Å; T194-T197 PolarHBondContact O-N 2.92Å; T194-T197 WeakPolarHBondContact OG1-CB 3.45Å; T194-T197 PolarHBondContact OG1-N 3.3Å; T194-T197 PolarHBondContact OG1-OG1 3.35Å; V195-T197 PolarHBondContact O-N 3.32Å; T197-V199 VanDerWaalsContact C-N 3.28Å; T197-V199 PolarHBondContact O-N 3.07Å; T197-L200 PolarHBondContact O-N 2.89Å; T197-L201 WeakPolarHBondContact O-CB 3.42Å; T197-L201 PolarHBondContact O-N 3.35Å
198	D	93.6	Very high	93.8	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.011	4%	0.041	C	C	.	.	H	α-helix	trans	-64.3	-33.9	178.9	-89	16.8	0	0	0	111.8	R193 T194 V195 P196	R193-D198 IonicContact CZ-OD1 2.68Å; R193-D198 IonicContact CZ-OD2 3.71Å; R193-D198 IonicContact NE-OD1 3.59Å; R193-D198 PolarHBondContact NE-OD1 3.33Å; R193-D198 IonicContact NE-OD2 3.28Å; R193-D198 PolarHBondContact NE-OD2 2.89Å; R193-D198 IonicContact NH2-OD1 3.73Å; R193-D198 IonicContact NH2-OD2 3.02Å; R193-D198 PolarHBondContact NH2-OD2 3.14Å; T194-D198 PolarHBondContact O-N 3.49Å; V195-D198 PolarHBondContact O-N 3.34Å; P196-D198 PolarHBondContact O-N 2.91Å
199	V	92.8	Very high	93.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-74.4	-48.4	176.8	172.8	0	0	0	0	111.1	L170 V195 P196 T197 L201 G202 L203 L453 L457 F470	L170-V199 HydrophobicContact CD1-CG1 3.89Å; L170-V199 HydrophobicContact CD2-CB 4.5Å; L170-V199 HydrophobicContact CD2-CG1 4.33Å; V195-V199 WeakPolarHBondContact O-CG2 3.19Å; V195-V199 PolarHBondContact O-N 2.86Å; P196-V199 PolarHBondContact O-N 3.22Å; T197-V199 VanDerWaalsContact C-N 3.28Å; T197-V199 PolarHBondContact O-N 3.07Å; V199-L201 PolarHBondContact O-N 3.23Å; V199-G202 WeakPolarHBondContact O-CA 3.24Å; V199-G202 PolarHBondContact O-N 3Å; V199-L203 HydrophobicContact CG1-CD1 3.77Å; V199-L203 HydrophobicContact CG1-CG 4.12Å; V199-L203 WeakPolarHBondContact O-CG 3.5Å; V199-L203 PolarHBondContact O-N 3.27Å; V199-L453 HydrophobicContact CB-CD1 4.21Å; V199-L453 HydrophobicContact CG1-CD1 3.95Å; V199-L453 HydrophobicContact CG2-CD1 3.49Å; V199-L453 VanDerWaalsContact CG2-CD1 3.49Å; V199-L453 HydrophobicContact CG2-CD2 3.63Å; V199-L453 HydrophobicContact CG2-CG 4.2Å; V199-L457 HydrophobicContact CG1-CD2 3.89Å; V199-F470 HydrophobicContact CG2-CE1 3.59Å; V199-F470 HydrophobicContact CG2-CZ 4.21Å
200	L	94.6	Very high	93.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-54	-41.3	176.1	-78	170.3	0	0	0	111	D166 L169 L170 M173 L187 P196 T197 G202 L203 L204	D166-L200 HydrophobicContact CB-CD1 4.28Å; D166-L200 WeakPolarHBondContact O-CD1 3.39Å; L169-L200 HydrophobicContact CB-CD1 4.3Å; L169-L200 HydrophobicContact CD2-CD1 4.06Å; L169-L200 HydrophobicContact CD2-CD2 4.39Å; L169-L200 HydrophobicContact CG-CD1 4.27Å; L169-L200 HydrophobicContact CG-CD2 4.15Å; L170-L200 HydrophobicContact CB-CD2 4.19Å; L170-L200 HydrophobicContact CB-CG 4.25Å; L170-L200 HydrophobicContact CD1-CD2 4.13Å; L170-L200 HydrophobicContact CD1-CG 4.37Å; M173-L200 HydrophobicContact CG-CD2 4.4Å; M173-L200 HydrophobicContact SD-CD2 3.43Å; M173-L200 WeakPolarHBondContact SD-CD2 3.34Å; L187-L200 HydrophobicContact CD1-CB 4.14Å; L187-L200 HydrophobicContact CD2-CB 4.37Å; L187-L200 HydrophobicContact CD2-CD1 4.18Å; P196-L200 VanDerWaalsContact O-CB 3.31Å; P196-L200 WeakPolarHBondContact O-CB 3.2Å; P196-L200 VanDerWaalsContact O-CG 3.23Å; P196-L200 WeakPolarHBondContact O-CG 3.48Å; P196-L200 PolarHBondContact O-N 3.14Å; T197-L200 PolarHBondContact O-N 2.89Å; L200-G202 VanDerWaalsContact C-N 3.27Å; L200-G202 PolarHBondContact O-N 2.98Å; L200-L203 PolarHBondContact O-N 3Å; L200-L204 HydrophobicContact CB-CD1 4.43Å; L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 WeakPolarHBondContact O-CG 3.3Å; L200-L204 PolarHBondContact O-N 2.88Å
201	L	94	Very high	93.4	Very high	2 Å²	2	22 Å²	22	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-55.9	-42.2	176.4	-175.3	67.4	0	0	0	112.1	T197 V199 C205 L219 L229 F232 L233 L471	T197-L201 WeakPolarHBondContact O-CB 3.42Å; T197-L201 PolarHBondContact O-N 3.35Å; V199-L201 PolarHBondContact O-N 3.23Å; L201-C205 PolarHBondContact O-N 2.81Å; L201-C205 PolarHBondContact O-SG 3.32Å; L201-L219 HydrophobicContact CD1-CD1 3.69Å; L201-L219 HydrophobicContact CD1-CD2 3.79Å; L201-L219 HydrophobicContact CD1-CG 4.42Å; L201-L229 HydrophobicContact CD2-CD2 3.71Å; L201-F232 HydrophobicContact CD2-CD1 3.89Å; L201-F232 HydrophobicContact CD2-CE1 3.66Å; L201-F232 HydrophobicContact CD2-CZ 4.35Å; L201-F232 HydrophobicContact CG-CD1 4.32Å; L201-F232 HydrophobicContact CG-CE1 3.7Å; L201-F232 HydrophobicContact CG-CZ 4.44Å; L201-L233 HydrophobicContact CD1-CD2 4.22Å; L201-L471 HydrophobicContact CD2-CB 4.35Å
202	G	91.2	Very high	93.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-69.1	-49.5	176.3	0	0	0	0	0	112.9	V199 L200 C205 K469	V199-G202 WeakPolarHBondContact O-CA 3.24Å; V199-G202 PolarHBondContact O-N 3Å; L200-G202 VanDerWaalsContact C-N 3.27Å; L200-G202 PolarHBondContact O-N 2.98Å; G202-C205 WeakPolarHBondContact O-CB 3.33Å; G202-C205 PolarHBondContact O-N 3.3Å; G202-K469 WeakPolarHBondContact CA-O 3.45Å
203	L	92.6	Very high	92.5	Very high	13 Å²	13	31.2 Å²	31.2	7%	0.068	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-43	-178.1	-62.8	177.6	0	0	0	112.1	L170 M173 V199 L200 C205 D206 V207 L460 I462	L170-L203 HydrophobicContact CD1-CD1 3.75Å; M173-L203 HydrophobicContact CE-CB 3.78Å; M173-L203 HydrophobicContact CE-CD1 4.19Å; M173-L203 HydrophobicContact SD-CB 4.29Å; M173-L203 HydrophobicContact SD-CD1 4.18Å; V199-L203 HydrophobicContact CG1-CD1 3.77Å; V199-L203 HydrophobicContact CG1-CG 4.12Å; V199-L203 WeakPolarHBondContact O-CG 3.5Å; V199-L203 PolarHBondContact O-N 3.27Å; L200-L203 PolarHBondContact O-N 3Å; L203-C205 VanDerWaalsContact C-N 3.27Å; L203-C205 PolarHBondContact O-N 2.63Å; L203-D206 WeakPolarHBondContact O-CA 3.35Å; L203-D206 WeakPolarHBondContact O-CB 3.37Å; L203-D206 PolarHBondContact O-N 3.39Å; L203-V207 WeakPolarHBondContact O-CG2 3.49Å; L203-V207 PolarHBondContact O-N 3.47Å; L203-L460 HydrophobicContact CD1-CD1 3.84Å; L203-L460 HydrophobicContact CD2-CD1 4.44Å; L203-I462 HydrophobicContact CD2-CD1 3.57Å
204	L	94.6	Very high	92	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-65.7	-29.6	-179.7	-71.6	174.4	0	0	0	112.6	L179 V185 L187 L200 D206 V207 C208 F215 V217	L179-L204 HydrophobicContact CD1-CD2 3.91Å; V185-L204 HydrophobicContact CG1-CD1 4Å; L187-L204 HydrophobicContact CD1-CD1 3.8Å; L187-L204 HydrophobicContact CD2-CD1 3.94Å; L187-L204 HydrophobicContact CG-CD1 3.91Å; L200-L204 HydrophobicContact CB-CD1 4.43Å; L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 WeakPolarHBondContact O-CG 3.3Å; L200-L204 PolarHBondContact O-N 2.88Å; L204-D206 PolarHBondContact O-N 3.24Å; L204-V207 PolarHBondContact O-N 3.35Å; L204-C208 WeakPolarHBondContact O-CB 3.26Å; L204-C208 PolarHBondContact O-N 3.45Å; L204-C208 PolarHBondContact O-SG 3.05Å; L204-C208 VanDerWaalsContact O-SG 3.34Å; L204-F215 HydrophobicContact CD2-CE1 3.9Å; L204-F215 HydrophobicContact CD2-CZ 3.78Å; L204-V217 HydrophobicContact CB-CG2 4.16Å; L204-V217 HydrophobicContact CD1-CG1 4.12Å; L204-V217 HydrophobicContact CD1-CG2 4.38Å; L204-V217 HydrophobicContact CD2-CG2 4.31Å
205	C	92.1	Very high	92.1	Very high	13 Å²	13	31.2 Å²	31.2	9%	0.088	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-31.7	170	-73	0	0	0	0	112.2	L201 G202 L203 R209	L201-C205 PolarHBondContact O-N 2.81Å; L201-C205 PolarHBondContact O-SG 3.32Å; G202-C205 WeakPolarHBondContact O-CB 3.33Å; G202-C205 PolarHBondContact O-N 3.3Å; L203-C205 VanDerWaalsContact C-N 3.27Å; L203-C205 PolarHBondContact O-N 2.63Å; C205-R209 WeakPolarHBondContact O-CG 3.1Å
206	D	90.9	Very high	92.2	Very high	51 Å²	51	32.1 Å²	32.1	27%	0.273	16%	0.16	S	C	.	.	H	α-helix	trans	-84	-37.5	178.4	-62.1	-21	0	0	0	111	L203 L204 R209 Q210	L203-D206 WeakPolarHBondContact O-CA 3.35Å; L203-D206 WeakPolarHBondContact O-CB 3.37Å; L203-D206 PolarHBondContact O-N 3.39Å; L204-D206 PolarHBondContact O-N 3.24Å; D206-R209 WeakPolarHBondContact O-CB 3.43Å; D206-R209 PolarHBondContact O-N 3.17Å; D206-R209 VanDerWaalsContact O-N 3.16Å; D206-R209 IonicContact OD1-CZ 2.82Å; D206-R209 IonicContact OD1-NH1 3.68Å; D206-R209 PolarHBondContact OD1-NH1 3.14Å; D206-Q210 WeakPolarHBondContact O-CG 3.15Å; D206-Q210 PolarHBondContact O-N 2.84Å; D206-Q210 VanDerWaalsContact O-N 3.13Å
207	V	93.6	Very high	92.4	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-45.4	172.8	-179.2	0	0	0	0	111.1	M173 P177 L178 L203 L204 R209 Q210 R211 F215	M173-V207 HydrophobicContact CE-CG2 3.81Å; P177-V207 WeakPolarHBondContact O-CG2 3.4Å; L178-V207 HydrophobicContact CD2-CG1 4.47Å; L203-V207 WeakPolarHBondContact O-CG2 3.49Å; L203-V207 PolarHBondContact O-N 3.47Å; L204-V207 PolarHBondContact O-N 3.35Å; V207-R209 PolarHBondContact O-N 2.83Å; V207-Q210 CarbonylContact O-C 3.59Å; V207-Q210 PolarHBondContact O-N 3.24Å; V207-R211 PolarHBondContact O-N 2.96Å; V207-F215 HydrophobicContact CB-CD1 4.46Å; V207-F215 HydrophobicContact CB-CE1 4.14Å; V207-F215 HydrophobicContact CG1-CD1 3.71Å; V207-F215 HydrophobicContact CG1-CE1 3.61Å; V207-F215 HydrophobicContact CG1-CG 4.33Å; V207-F215 HydrophobicContact CG1-CZ 4.16Å
208	C	93.8	Very high	92.6	Very high	10 Å²	10	31.2 Å²	31.2	7%	0.068	15%	0.154	C	C	.	.	H	α-helix	trans	-57.5	-33.3	175.8	-74.3	0	0	0	0	112.9	L204 R211 V217	L204-C208 WeakPolarHBondContact O-CB 3.26Å; L204-C208 PolarHBondContact O-N 3.45Å; L204-C208 PolarHBondContact O-SG 3.05Å; L204-C208 VanDerWaalsContact O-SG 3.34Å; C208-R211 CarbonylContact O-C 3.58Å; C208-V217 WeakPolarHBondContact SG-CG2 3.49Å
209	R	91.6	Very high	92.8	Very high	146 Å²	146	31.1 Å²	31.1	55%	0.551	15%	0.154	S	C	*	.	H	α-helix	trans	-73.7	-32.1	175.9	-68.7	178.7	-164	112.6	26.8	112.4	C205 D206 V207 K469	C205-R209 WeakPolarHBondContact O-CG 3.1Å; D206-R209 WeakPolarHBondContact O-CB 3.43Å; D206-R209 PolarHBondContact O-N 3.17Å; D206-R209 VanDerWaalsContact O-N 3.16Å; D206-R209 IonicContact OD1-CZ 2.82Å; D206-R209 IonicContact OD1-NH1 3.68Å; D206-R209 PolarHBondContact OD1-NH1 3.14Å; V207-R209 PolarHBondContact O-N 2.83Å; R209-K469 VanDerWaalsContact NH1-NZ 3.18Å; R209-K469 VanDerWaalsContact NH2-NZ 3.17Å
210	Q	93.1	Very high	93	Very high	130 Å²	130	31.1 Å²	31.1	61%	0.607	15%	0.154	S	C	*	.	H	α-helix	trans	-83.3	-23.3	179.4	-66.6	-179.6	66.1	0	0	112.7	L178 D206 V207 P212	L178-Q210 HydrophobicContact CD2-CB 3.97Å; D206-Q210 WeakPolarHBondContact O-CG 3.15Å; D206-Q210 PolarHBondContact O-N 2.84Å; D206-Q210 VanDerWaalsContact O-N 3.13Å; V207-Q210 CarbonylContact O-C 3.59Å; V207-Q210 PolarHBondContact O-N 3.24Å; Q210-P212 VanDerWaalsContact C-CD 3.5Å
211	R	94.2	Very high	93.1	Very high	41 Å²	41	31.1 Å²	31.1	16%	0.155	15%	0.154	C	C	.	.			trans	-124.9	63.6	179	-65.6	-177.7	62.3	-167.3	-4.3	112.5	L178 L179 Y182 V207 C208 D213 G214 F215	L178-R211 VanDerWaalsContact O-CD 3.28Å; L178-R211 WeakPolarHBondContact O-CD 2.96Å; L178-R211 PolarHBondContact O-NH1 2.83Å; L179-R211 PolarHBondContact O-NH1 2.92Å; Y182-R211 PolarHBondContact O-NH1 3.45Å; Y182-R211 PolarHBondContact O-NH2 3.08Å; V207-R211 PolarHBondContact O-N 2.96Å; C208-R211 CarbonylContact O-C 3.58Å; R211-D213 PolarHBondContact O-N 2.98Å; R211-G214 PolarHBondContact NH2-O 3Å; R211-G214 VanDerWaalsContact NH2-O 3.16Å; R211-F215 HydrophobicContact CB-CB 3.58Å; R211-F215 HydrophobicContact CB-CG 4.46Å; R211-F215 PolarHBondContact O-N 3.36Å
212	P	87.1	Confident	93	Very high	64 Å²	64	31.5 Å²	31.5	42%	0.416	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-32.5	-173.5	26.8	-35.1	0	0	0	114.2	Q210 R216	Q210-P212 VanDerWaalsContact C-CD 3.5Å; P212-R216 PolarHBondContact O-NH1 2.86Å
213	D	79.9	Confident	93	Very high	139 Å²	139	33.3 Å²	33.3	74%	0.743	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-16.9	-167.9	-60	-35.4	0	0	0	114.3	R211	R211-D213 PolarHBondContact O-N 2.98Å
214	G	84.6	Confident	92.9	Very high	11 Å²	11	36 Å²	36	11%	0.113	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.5	21.8	-170.5	0	0	0	0	0	114.9	H183 R211	H183-G214 PolarHBondContact CD2-O 3.24Å; R211-G214 PolarHBondContact NH2-O 3Å; R211-G214 VanDerWaalsContact NH2-O 3.16Å
215	F	96.2	Very high	92.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.			trans	-137	134.5	173.2	-171.1	-111.1	0	0	0	110.5	L179 Y182 H183 V185 L204 V207 R211 V217	L179-F215 HydrophobicContact CB-CE2 4.42Å; L179-F215 HydrophobicContact CD1-CZ 4.47Å; Y182-F215 WeakPolarHBondContact O-CD2 3.43Å; H183-F215 WeakPolarHBondContact O-CA 3.35Å; V185-F215 HydrophobicContact CB-CE2 4.44Å; V185-F215 HydrophobicContact CB-CZ 4.06Å; V185-F215 HydrophobicContact CG2-CE2 3.71Å; V185-F215 HydrophobicContact CG2-CZ 3.65Å; L204-F215 HydrophobicContact CD2-CE1 3.9Å; L204-F215 HydrophobicContact CD2-CZ 3.78Å; V207-F215 HydrophobicContact CB-CD1 4.46Å; V207-F215 HydrophobicContact CB-CE1 4.14Å; V207-F215 HydrophobicContact CG1-CD1 3.71Å; V207-F215 HydrophobicContact CG1-CE1 3.61Å; V207-F215 HydrophobicContact CG1-CG 4.33Å; V207-F215 HydrophobicContact CG1-CZ 4.16Å; R211-F215 HydrophobicContact CB-CB 3.58Å; R211-F215 HydrophobicContact CB-CG 4.46Å; R211-F215 PolarHBondContact O-N 3.36Å; F215-V217 HydrophobicContact CD1-CG2 4.07Å; F215-V217 HydrophobicContact CE1-CG2 3.35Å; F215-V217 HydrophobicContact CZ-CG2 3.94Å
216	R	97	Very high	92.9	Very high	29 Å²	29	36 Å²	36	11%	0.109	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.7	179.6	-56.7	-66.3	-175.7	-114.8	7.3	110.5	L78 E79 H81 S82 F105 H183 L184 V185 P212	L78-R216 HydrophobicContact CD2-CB 4.24Å; L78-R216 WeakPolarHBondContact O-CD 3.47Å; L78-R216 PolarHBondContact O-NE 3.18Å; E79-R216 PolarHBondContact O-NH2 3.01Å; H81-R216 WeakPolarHBondContact O-CD 3.45Å; H81-R216 PolarHBondContact O-NE 3.34Å; S82-R216 CarbonylContact O-C 3.52Å; S82-R216 VanDerWaalsContact O-CA 3.32Å; S82-R216 WeakPolarHBondContact O-CA 3.4Å; F105-R216 HydrophobicContact CE1-CG 4.33Å; H183-R216 PolarHBondContact O-N 3.32Å; L184-R216 WeakPolarHBondContact CA-O 3.45Å; L184-R216 HydrophobicContact CD2-CB 3.89Å; L184-R216 HydrophobicContact CG-CB 4Å; V185-R216 PolarHBondContact N-O 2.91Å; P212-R216 PolarHBondContact O-NH1 2.86Å
217	V	98.2	Very high	93	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.3	176.8	178.9	0	0	0	0	110.5	S82 M83 V84 V185 L204 C208 F215 L219	S82-V217 PolarHBondContact O-N 3.33Å; M83-V217 CarbonylContact C-O 3.58Å; M83-V217 WeakPolarHBondContact CA-O 3.42Å; M83-V217 HydrophobicContact CB-CB 4.47Å; M83-V217 HydrophobicContact CE-CB 3.8Å; M83-V217 HydrophobicContact CE-CG1 3.81Å; M83-V217 HydrophobicContact CE-CG2 4.25Å; M83-V217 HydrophobicContact CG-CB 4.09Å; M83-V217 HydrophobicContact CG-CG1 4.29Å; V84-V217 PolarHBondContact N-O 3.4Å; V185-V217 CarbonylContact O-C 3.53Å; V185-V217 VanDerWaalsContact O-CA 3.3Å; V185-V217 WeakPolarHBondContact O-CA 3.24Å; L204-V217 HydrophobicContact CB-CG2 4.16Å; L204-V217 HydrophobicContact CD1-CG1 4.12Å; L204-V217 HydrophobicContact CD1-CG2 4.38Å; L204-V217 HydrophobicContact CD2-CG2 4.31Å; C208-V217 WeakPolarHBondContact SG-CG2 3.49Å; F215-V217 HydrophobicContact CD1-CG2 4.07Å; F215-V217 HydrophobicContact CE1-CG2 3.35Å; F215-V217 HydrophobicContact CZ-CG2 3.94Å; V217-L219 HydrophobicContact CG1-CD2 3.84Å; V217-L219 HydrophobicContact CG1-CG 4.32Å
218	V	98.6	Very high	93	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.7	176.2	179.8	0	0	0	0	108.8	F74 L78 V98 V185 V186 L187 L220	F74-V218 HydrophobicContact CE2-CG1 3.77Å; F74-V218 HydrophobicContact CE2-CG2 4Å; F74-V218 HydrophobicContact CZ-CG1 4.03Å; F74-V218 HydrophobicContact CZ-CG2 3.79Å; L78-V218 HydrophobicContact CD2-CG2 3.75Å; V98-V218 HydrophobicContact CG1-CG1 3.83Å; V185-V218 PolarHBondContact O-N 3.24Å; V186-V218 CarbonylContact C-O 3.56Å; V186-V218 WeakPolarHBondContact CA-O 3.42Å; V186-V218 HydrophobicContact CB-CB 4.47Å; V186-V218 HydrophobicContact CG1-CB 4.25Å; V186-V218 HydrophobicContact CG1-CG1 4.29Å; V186-V218 HydrophobicContact CG2-CB 4.15Å; L187-V218 PolarHBondContact N-O 2.84Å; V218-L220 HydrophobicContact CG1-CD2 3.74Å; V218-L220 HydrophobicContact CG1-CG 4.32Å
219	L	98.4	Very high	93.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.5	-178.9	-60.9	-178.9	0	0	0	108.7	M83 V84 L85 L86 L187 L190 L201 V217 L233	M83-L219 HydrophobicContact CG-CD1 4.11Å; M83-L219 HydrophobicContact CG-CG 4.26Å; M83-L219 HydrophobicContact SD-CD1 3.66Å; M83-L219 HydrophobicContact SD-CG 4.29Å; V84-L219 PolarHBondContact O-N 3.22Å; L85-L219 HydrophobicContact CD1-CB 3.85Å; L86-L219 PolarHBondContact N-O 3.42Å; L187-L219 HydrophobicContact CB-CD2 3.89Å; L187-L219 HydrophobicContact CD1-CD2 3.87Å; L187-L219 HydrophobicContact CG-CD2 4.04Å; L190-L219 HydrophobicContact CD1-CB 3.59Å; L190-L219 HydrophobicContact CD1-CD2 4.13Å; L190-L219 HydrophobicContact CD1-CG 4.36Å; L201-L219 HydrophobicContact CD1-CD1 3.69Å; L201-L219 HydrophobicContact CD1-CD2 3.79Å; L201-L219 HydrophobicContact CD1-CG 4.42Å; V217-L219 HydrophobicContact CG1-CD2 3.84Å; V217-L219 HydrophobicContact CG1-CG 4.32Å; L219-L233 HydrophobicContact CD1-CD1 3.37Å; L219-L233 HydrophobicContact CD1-CD2 4.02Å; L219-L233 HydrophobicContact CD1-CG 4.29Å
220	L	97.8	Very high	93.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.6	178.1	-50	179.5	0	0	0	110	L86 K94 V98 V186 L187 D188 E189 L190 V218	L86-L220 HydrophobicContact CB-CD2 3.89Å; L86-L220 HydrophobicContact CD2-CD2 4.23Å; L86-L220 HydrophobicContact CG-CD2 4.5Å; L86-L220 WeakPolarHBondContact O-CA 3.15Å; K94-L220 HydrophobicContact CB-CD1 4.29Å; V98-L220 HydrophobicContact CB-CD1 4.17Å; V98-L220 HydrophobicContact CB-CD2 4.13Å; V98-L220 HydrophobicContact CG1-CD1 4.48Å; V98-L220 HydrophobicContact CG1-CD2 3.91Å; V98-L220 HydrophobicContact CG2-CD2 4.03Å; V186-L220 HydrophobicContact CG1-CD1 3.56Å; V186-L220 HydrophobicContact CG1-CG 3.8Å; L187-L220 PolarHBondContact O-N 3.44Å; D188-L220 HydrophobicContact CB-CB 4.43Å; D188-L220 HydrophobicContact CB-CD1 4.17Å; D188-L220 VanDerWaalsContact OD1-CB 3.26Å; D188-L220 WeakPolarHBondContact OD1-CB 3.45Å; E189-L220 PolarHBondContact N-O 3.28Å; L190-L220 WeakPolarHBondContact CD1-O 3.32Å; L190-L220 PolarHBondContact N-O 3.1Å; V218-L220 HydrophobicContact CG1-CD2 3.74Å; V218-L220 HydrophobicContact CG1-CG 4.32Å
221	A	95.3	Very high	93.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	159.2	-175.4	0	0	0	0	0	112.6	L85 L86 S87 A88 L190 L229	L85-A221 HydrophobicContact CD1-CB 4.22Å; L86-A221 PolarHBondContact O-N 3.19Å; L86-A221 VanDerWaalsContact O-N 3.08Å; S87-A221 VanDerWaalsContact CA-O 3.24Å; S87-A221 WeakPolarHBondContact CA-O 3.46Å; A88-A221 PolarHBondContact N-O 3.01Å; L190-A221 HydrophobicContact CB-CB 4.07Å; L190-A221 HydrophobicContact CD1-CB 4.18Å; A221-L229 HydrophobicContact CB-CD1 3.58Å
222	H	92.2	Very high	93.4	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.042	21%	0.208	C	C	.	.			trans	-71.2	145.5	163.8	-167.4	-92.1	0	0	0	111.1	Q191 T224 L225 A226 H407	Q191-H222 HydrophobicContact CB-CB 4.21Å; Q191-H222 HydrophobicContact CG-CB 4.21Å; H222-T224 PolarHBondContact ND1-N 2.68Å; H222-T224 PolarHBondContact ND1-OG1 3.48Å; H222-T224 PolarHBondContact O-N 2.71Å; H222-L225 PolarHBondContact O-N 3.13Å; H222-A226 PolarHBondContact O-N 2.82Å; H222-H407 AromaticContact CD2-CE1 3.62Å; H222-H407 AromaticContact CE1-CE1 3.49Å; H222-H407 PolarHBondContact CE1-CE1 3.41Å; H222-H407 VanDerWaalsContact CE1-CE1 3.49Å; H222-H407 AromaticContact CE1-ND1 3.71Å; H222-H407 AromaticContact CG-CE1 3.2Å; H222-H407 AromaticContact CG-NE2 3.9Å; H222-H407 AromaticContact ND1-CE1 3.09Å; H222-H407 PolarHBondContact ND1-CE1 3.11Å; H222-H407 AromaticContact ND1-ND1 3.57Å; H222-H407 AromaticContact ND1-NE2 4Å; H222-H407 AromaticContact NE2-CE1 3.81Å
223	P	91.3	Very high	93.8	Very high	39 Å²	39	33.8 Å²	33.8	25%	0.253	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-27.5	179.9	-31.3	36.4	0	0	0	115.5	A88 P89 L225 P227	A88-P223 VanDerWaalsContact C-CD 3.44Å; A88-P223 WeakPolarHBondContact O-CD 3.39Å; P89-P223 HydrophobicContact CG-CG 4.41Å; P223-L225 VanDerWaalsContact C-N 3.33Å; P223-L225 PolarHBondContact O-N 3.17Å; P223-P227 VanDerWaalsContact O-CD 3.29Å; P223-P227 WeakPolarHBondContact O-CD 3.43Å
224	T	89.9	Confident	94.4	Very high	68 Å²	68	28.2 Å²	28.2	42%	0.417	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.9	177	49.1	0	0	0	0	113.2	H222 H407	H222-T224 PolarHBondContact ND1-N 2.68Å; H222-T224 PolarHBondContact ND1-OG1 3.48Å; H222-T224 PolarHBondContact O-N 2.71Å; T224-H407 PolarHBondContact OG1-CE1 3.05Å; T224-H407 PolarHBondContact OG1-ND1 3.03Å
225	L	92.8	Very high	94.8	Very high	14 Å²	14	34.6 Å²	34.6	7%	0.073	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-24.6	179.3	-176	63.9	0	0	0	112.4	L190 H222 P223 P227 R228 L229	L190-L225 VanDerWaalsContact C-CD2 3.48Å; L190-L225 HydrophobicContact CB-CD2 4.04Å; L190-L225 VanDerWaalsContact O-CD2 3.22Å; L190-L225 WeakPolarHBondContact O-CD2 3.41Å; H222-L225 PolarHBondContact O-N 3.13Å; P223-L225 VanDerWaalsContact C-N 3.33Å; P223-L225 PolarHBondContact O-N 3.17Å; L225-P227 VanDerWaalsContact C-CD 3.47Å; L225-R228 HydrophobicContact CD1-CB 4.34Å; L225-R228 PolarHBondContact O-N 3.31Å; L225-L229 HydrophobicContact CD2-CD1 3.81Å; L225-L229 HydrophobicContact CD2-CG 4.25Å; L225-L229 HydrophobicContact CG-CD1 3.78Å; L225-L229 HydrophobicContact CG-CG 3.97Å; L225-L229 PolarHBondContact O-N 2.56Å
226	A	93.7	Very high	94.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-51.6	-42.4	-173	0	0	0	0	0	114.8	L85 H222 R228 L229 A230	L85-A226 HydrophobicContact CD2-CB 4.45Å; H222-A226 PolarHBondContact O-N 2.82Å; A226-R228 VanDerWaalsContact C-N 3.33Å; A226-R228 PolarHBondContact O-N 3.36Å; A226-L229 PolarHBondContact O-N 3.33Å; A226-A230 WeakPolarHBondContact O-CB 3.35Å; A226-A230 PolarHBondContact O-N 2.73Å
227	P	93.9	Very high	94.5	Very high	88 Å²	88	38.3 Å²	38.3	57%	0.571	24%	0.244	S	C	*	.	H	α-helix	trans	-62.3	-37.3	178.3	-24.2	34.7	0	0	0	113.6	P223 L225 A231	P223-P227 VanDerWaalsContact O-CD 3.29Å; P223-P227 WeakPolarHBondContact O-CD 3.43Å; L225-P227 VanDerWaalsContact C-CD 3.47Å; P227-A231 WeakPolarHBondContact O-CB 3.18Å; P227-A231 PolarHBondContact O-N 2.83Å; P227-A231 VanDerWaalsContact O-N 3.07Å
228	R	94.4	Very high	94.5	Very high	115 Å²	115	39.2 Å²	39.2	43%	0.434	25%	0.25	S	C	.	.	H	α-helix	trans	-69.6	-40.5	177.5	-68	-173	66.6	-170.1	-3	111.1	L225 A226 A231 F232 D472	L225-R228 HydrophobicContact CD1-CB 4.34Å; L225-R228 PolarHBondContact O-N 3.31Å; A226-R228 VanDerWaalsContact C-N 3.33Å; A226-R228 PolarHBondContact O-N 3.36Å; R228-A231 PolarHBondContact O-N 3.46Å; R228-F232 WeakPolarHBondContact O-CB 3.19Å; R228-F232 PolarHBondContact O-N 2.84Å; R228-D472 IonicContact CZ-OD1 3.92Å; R228-D472 IonicContact CZ-OD2 3.93Å; R228-D472 IonicContact NH1-OD2 3.86Å; R228-D472 IonicContact NH2-OD1 2.85Å; R228-D472 PolarHBondContact NH2-OD1 3.06Å; R228-D472 IonicContact NH2-OD2 2.77Å; R228-D472 PolarHBondContact NH2-OD2 2.75Å
229	L	95.7	Very high	94.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-48	175.4	-73.2	166.9	0	0	0	111.3	L85 L190 L201 A221 L225 A226 A231 F232 L233 L471	L85-L229 HydrophobicContact CD1-CB 4.36Å; L85-L229 HydrophobicContact CD1-CD1 4Å; L85-L229 HydrophobicContact CD2-CB 3.93Å; L190-L229 HydrophobicContact CB-CD1 4.2Å; L190-L229 HydrophobicContact CD1-CD1 4.01Å; L201-L229 HydrophobicContact CD2-CD2 3.71Å; A221-L229 HydrophobicContact CB-CD1 3.58Å; L225-L229 HydrophobicContact CD2-CD1 3.81Å; L225-L229 HydrophobicContact CD2-CG 4.25Å; L225-L229 HydrophobicContact CG-CD1 3.78Å; L225-L229 HydrophobicContact CG-CG 3.97Å; L225-L229 PolarHBondContact O-N 2.56Å; A226-L229 PolarHBondContact O-N 3.33Å; L229-A231 VanDerWaalsContact C-N 3.28Å; L229-A231 PolarHBondContact O-N 2.88Å; L229-F232 WeakPolarHBondContact O-CB 3.29Å; L229-F232 PolarHBondContact O-N 2.99Å; L229-F232 VanDerWaalsContact O-N 3.08Å; L229-L233 HydrophobicContact CB-CD1 4.48Å; L229-L233 WeakPolarHBondContact O-CB 3.45Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 3.46Å; L229-L471 HydrophobicContact CD2-CD2 3.94Å
230	A	95.6	Very high	94.3	Very high	31 Å²	31	44 Å²	44	26%	0.256	27%	0.273	S	S	.	.	H	α-helix	trans	-58.1	-40.9	177.2	0	0	0	0	0	111.9	L85 A226 G234	L85-A230 HydrophobicContact CD2-CB 4.21Å; A226-A230 WeakPolarHBondContact O-CB 3.35Å; A226-A230 PolarHBondContact O-N 2.73Å; A230-G234 PolarHBondContact O-N 2.99Å
231	A	95.1	Very high	94.1	Very high	83 Å²	83	46 Å²	46	69%	0.686	29%	0.289	S	S	*	.	H	α-helix	trans	-65.4	-39.2	175.1	0	0	0	0	0	113	P227 R228 L229	P227-A231 WeakPolarHBondContact O-CB 3.18Å; P227-A231 PolarHBondContact O-N 2.83Å; P227-A231 VanDerWaalsContact O-N 3.07Å; R228-A231 PolarHBondContact O-N 3.46Å; L229-A231 VanDerWaalsContact C-N 3.28Å; L229-A231 PolarHBondContact O-N 2.88Å
232	F	94.4	Very high	93.7	Very high	54 Å²	54	47.4 Å²	47.4	24%	0.237	30%	0.298	C	S	.	.	H	α-helix	trans	-68.4	-43.8	177.7	169	-94	0	0	0	112.6	L201 R228 L229 K469 L471	L201-F232 HydrophobicContact CD2-CD1 3.89Å; L201-F232 HydrophobicContact CD2-CE1 3.66Å; L201-F232 HydrophobicContact CD2-CZ 4.35Å; L201-F232 HydrophobicContact CG-CD1 4.32Å; L201-F232 HydrophobicContact CG-CE1 3.7Å; L201-F232 HydrophobicContact CG-CZ 4.44Å; R228-F232 WeakPolarHBondContact O-CB 3.19Å; R228-F232 PolarHBondContact O-N 2.84Å; L229-F232 WeakPolarHBondContact O-CB 3.29Å; L229-F232 PolarHBondContact O-N 2.99Å; L229-F232 VanDerWaalsContact O-N 3.08Å; F232-K469 HydrophobicContact CE2-CB 4.23Å; F232-K469 HydrophobicContact CZ-CB 3.98Å; F232-K469 WeakPolarHBondContact CZ-O 3.36Å; F232-L471 HydrophobicContact CB-CD1 3.57Å; F232-L471 HydrophobicContact CD2-CB 4.32Å; F232-L471 HydrophobicContact CD2-CD1 3.96Å; F232-L471 HydrophobicContact CE2-CB 4.46Å; F232-L471 HydrophobicContact CG-CD1 3.79Å
233	L	94.1	Very high	92.8	Very high	28 Å²	28	53.9 Å²	53.9	15%	0.147	33%	0.333	C	S	.	.	H	α-helix	trans	-74.3	-29.4	-178.5	-64.3	169.3	0	0	0	112.4	M83 L201 L219 L229 V237	M83-L233 HydrophobicContact SD-CD1 4.37Å; M83-L233 HydrophobicContact SD-CD2 3.56Å; M83-L233 VanDerWaalsContact SD-CD2 3.56Å; L201-L233 HydrophobicContact CD1-CD2 4.22Å; L219-L233 HydrophobicContact CD1-CD1 3.37Å; L219-L233 HydrophobicContact CD1-CD2 4.02Å; L219-L233 HydrophobicContact CD1-CG 4.29Å; L229-L233 HydrophobicContact CB-CD1 4.48Å; L229-L233 WeakPolarHBondContact O-CB 3.45Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 3.46Å; L233-V237 HydrophobicContact CB-CB 4.02Å; L233-V237 HydrophobicContact CB-CG1 4.5Å; L233-V237 HydrophobicContact CB-CG2 3.88Å; L233-V237 HydrophobicContact CD1-CB 4.42Å; L233-V237 HydrophobicContact CD1-CG1 4Å
234	G	93.7	Very high	91.4	Very high	22 Å²	22	54.6 Å²	54.6	23%	0.227	35%	0.348	C	S	.	.			trans	86.5	172.9	-177.6	0	0	0	0	0	113.3	A230 A236 V237	A230-G234 PolarHBondContact O-N 2.99Å; G234-A236 PolarHBondContact O-N 3.26Å; G234-A236 VanDerWaalsContact O-N 3.11Å; G234-V237 PolarHBondContact O-N 2.65Å
235	P	92.4	Very high	89.8	Confident	144 Å²	144	56.7 Å²	56.7	94%	0.935	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.4	-168.6	29.7	-37.1	0	0	0	114.7	V237	P235-V237 VanDerWaalsContact C-N 3.3Å
236	A	92	Very high	88	Confident	81 Å²	81	62.4 Å²	62.4	67%	0.669	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.1	178.7	0	0	0	0	0	112.9	H81 G234	H81-A236 PolarHBondContact CD2-O 2.97Å; G234-A236 PolarHBondContact O-N 3.26Å; G234-A236 VanDerWaalsContact O-N 3.11Å
237	V	96	Very high	86.2	Confident	26 Å²	26	65.9 Å²	65.9	16%	0.158	40%	0.402	C	S	.	.	S	Bend	trans	-95.3	116.1	178.4	179	0	0	0	0	109.3	M83 L85 L233 G234 P235	M83-V237 HydrophobicContact CB-CG1 4.26Å; M83-V237 HydrophobicContact CB-CG2 4.14Å; M83-V237 HydrophobicContact CG-CG1 4.06Å; M83-V237 HydrophobicContact CG-CG2 4.41Å; M83-V237 HydrophobicContact SD-CG2 4.29Å; L85-V237 HydrophobicContact CB-CG1 4.37Å; L233-V237 HydrophobicContact CB-CB 4.02Å; L233-V237 HydrophobicContact CB-CG1 4.5Å; L233-V237 HydrophobicContact CB-CG2 3.88Å; L233-V237 HydrophobicContact CD1-CB 4.42Å; L233-V237 HydrophobicContact CD1-CG1 4Å; G234-V237 PolarHBondContact O-N 2.65Å; P235-V237 VanDerWaalsContact C-N 3.3Å
238	P	96.8	Very high	84.3	Confident	19 Å²	19	64.9 Å²	64.9	12%	0.123	40%	0.395	C	S	.	.			trans	-65	138.7	178	27.1	-36.5	0	0	0	111.2	H77 H81 M83 V84 L85	H77-P238 HydrophobicContact CB-CG 4.15Å; H77-P238 WeakPolarHBondContact CD2-CB 3.32Å; H81-P238 HydrophobicContact CB-CG 4.11Å; M83-P238 WeakPolarHBondContact O-CD 3.36Å; V84-P238 HydrophobicContact CB-CG 4.43Å; V84-P238 HydrophobicContact CG1-CG 4.32Å; V84-P238 HydrophobicContact CG2-CG 4.01Å; L85-P238 PolarHBondContact N-O 2.73Å
239	H	96.7	Very high	82	Confident	87 Å²	87	64.5 Å²	64.5	40%	0.403	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.5	174	173	-146.2	0	0	0	109.6	L85 S87	L85-H239 HydrophobicContact CD2-CB 4.44Å; L85-H239 CarbonylContact O-C 3.56Å; L85-H239 WeakPolarHBondContact O-CA 3.36Å; S87-H239 PolarHBondContact OG-NE2 2.8Å
240	L	96.2	Very high	79.6	Confident	15 Å²	15	71.6 Å²	71.6	8%	0.079	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.6	176.6	-56.7	178.9	0	0	0	110	L70 F74 V84 L85 L86 S87	L70-L240 HydrophobicContact CD1-CB 4.46Å; F74-L240 HydrophobicContact CB-CD1 3.98Å; F74-L240 HydrophobicContact CD2-CD1 4.16Å; V84-L240 HydrophobicContact CG1-CD1 3.84Å; V84-L240 HydrophobicContact CG1-CG 4.23Å; L85-L240 PolarHBondContact O-N 3.04Å; L86-L240 WeakPolarHBondContact CA-O 3.14Å; S87-L240 PolarHBondContact N-O 2.96Å
241	A	94.3	Very high	77.8	Confident	41 Å²	41	73.1 Å²	73.1	34%	0.339	44%	0.442	S	S	.	.			trans	-142	142.8	173.5	0	0	0	0	0	109	D243	A241-D243 PolarHBondContact O-N 2.73Å
242	P	86.9	Confident	76.8	Confident	30 Å²	30	76.2 Å²	76.2	20%	0.195	44%	0.442	C	S	.	.			trans	-67.9	130.6	-177.7	24.3	-29.2	0	0	0	110.6	L70 S87 A88	L70-P242 HydrophobicContact CD1-CB 4.26Å; L70-P242 HydrophobicContact CG-CB 4.43Å; S87-P242 WeakPolarHBondContact O-CD 3.36Å; A88-P242 HydrophobicContact CB-CG 4.07Å
243	D	73.4	Confident	76.5	Confident	144 Å²	144	75.2 Å²	75.2	77%	0.77	44%	0.44	S	S	*	.	S	Bend	trans	-72.8	127.3	174.2	-71.5	-37.3	0	0	0	111	R69 A241	R69-D243 PolarHBondContact NH1-O 3.42Å; A241-D243 PolarHBondContact O-N 2.73Å
244	G	62	Low	76.6	Confident	55 Å²	55	79.6 Å²	79.6	57%	0.567	46%	0.46	S	S	*	.	S	Bend	trans	120.3	177.7	175.2	0	0	0	0	0	114.3
245	P	54.8	Low	76.7	Confident	112 Å²	112	81 Å²	81	73%	0.727	46%	0.464	S	S	*	.			trans	-61	140.9	-179	24.4	-32.1	0	0	0	110.9	R247	P245-R247 PolarHBondContact O-N 3.08Å
246	E	55.9	Low	76.9	Confident	133 Å²	133	77.3 Å²	77.3	62%	0.621	44%	0.435	S	S	*	.	S	Bend	trans	-53.1	-16.6	-177.3	-66.3	-177	162.5	0	0	114.4	P89	P89-E246 HydrophobicContact CG-CB 3.97Å; P89-E246 HydrophobicContact CG-CG 4.03Å
247	R	56.7	Low	77.1	Confident	75 Å²	75	76.7 Å²	76.7	28%	0.283	42%	0.416	S	S	.	.	S	Bend	trans	-143.6	148.7	176	-98.5	176.7	173.2	174.1	-4.3	113.1	P245 Q414 V416	P245-R247 PolarHBondContact O-N 3.08Å; R247-Q414 PolarHBondContact NH2-O 3.3Å; R247-V416 PolarHBondContact NH2-O 2.8Å
248	P	52.3	Low	77	Confident	66 Å²	66	82.1 Å²	82.1	43%	0.429	43%	0.434	S	S	.	.			trans	-62.9	146.3	163.7	25.7	-31	0	0	0	110.7	H250 H251	P248-H250 PolarHBondContact O-N 3.49Å; P248-H251 PolarHBondContact O-N 3.09Å
249	P	47	Very low	76.7	Confident	108 Å²	108	88.1 Å²	88.1	70%	0.701	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.7	-171.7	21.7	-33	0	0	0	115.9
250	H	45.6	Very low	76.2	Confident	150 Å²	150	86.4 Å²	86.4	69%	0.694	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.9	-178.2	-60.4	-69.5	0	0	0	114.9	P248	P248-H250 PolarHBondContact O-N 3.49Å
251	H	56.6	Low	75.6	Confident	62 Å²	62	88.7 Å²	88.7	29%	0.287	47%	0.471	S	S	.	.			trans	-111.4	61.8	-178.7	-64.8	80.6	0	0	0	112	P248 V253 S418	P248-H251 PolarHBondContact O-N 3.09Å; H251-V253 PolarHBondContact O-N 3.25Å; H251-S418 PolarHBondContact CD2-O 2.84Å; H251-S418 VanDerWaalsContact CD2-O 3.22Å
252	Q	75	Confident	74.6	Confident	148 Å²	148	93 Å²	93	69%	0.692	50%	0.499	S	S	*	.			trans	-71.9	117.9	171.8	-68.9	-175	2.2	0	0	109.3	G422	Q252-G422 PolarHBondContact O-N 2.88Å; Q252-G422 VanDerWaalsContact O-N 3.13Å
253	V	89	Confident	73.9	Confident	33 Å²	33	95.4 Å²	95.4	20%	0.2	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116	172.3	-175.9	0	0	0	0	107.5	H251 T413 V416 G422 C424	H251-V253 PolarHBondContact O-N 3.25Å; V253-T413 HydrophobicContact CB-CG2 4.45Å; V253-T413 HydrophobicContact CG1-CG2 3.81Å; V253-V416 HydrophobicContact CG1-CB 4.27Å; V253-V416 HydrophobicContact CG1-CG1 4.41Å; V253-V416 HydrophobicContact CG1-CG2 4.01Å; V253-V416 HydrophobicContact CG2-CB 3.8Å; V253-V416 HydrophobicContact CG2-CG1 3.65Å; V253-V416 HydrophobicContact CG2-CG2 4.45Å; V253-G422 WeakPolarHBondContact CA-O 3.28Å; V253-C424 HydrophobicContact CG1-CB 4.1Å
254	E	94.5	Very high	74.1	Confident	120 Å²	120	94.6 Å²	94.6	56%	0.561	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.6	169.9	-171.9	179.5	-179.8	0	0	108.6	M256 G422 L423 C424	E254-M256 HydrophobicContact CG-CG 4.27Å; E254-G422 PolarHBondContact N-O 2.84Å; E254-L423 HydrophobicContact CB-CD1 4.14Å; E254-L423 HydrophobicContact CG-CD1 4.35Å; E254-L423 WeakPolarHBondContact O-CA 3.39Å; E254-L423 WeakPolarHBondContact O-CD1 3.24Å; E254-C424 PolarHBondContact O-N 3.4Å
255	V	96.3	Very high	75.4	Confident	52 Å²	52	98 Å²	98	32%	0.315	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.5	173.2	-178.5	0	0	0	0	107.9	Y257 T413 C424 R426	V255-Y257 HydrophobicContact CG1-CE2 3.94Å; V255-T413 HydrophobicContact CG2-CG2 3.86Å; V255-C424 WeakPolarHBondContact CA-O 3.48Å; V255-C424 HydrophobicContact CG2-CB 4.35Å; V255-R426 HydrophobicContact CG1-CG 4.19Å
256	M	97	Very high	77.1	Confident	66 Å²	66	94 Å²	94	33%	0.325	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.7	175.1	-72	-162.9	-97.3	0	0	110.5	E254 L423 C424 L425 R426	E254-M256 HydrophobicContact CG-CG 4.27Å; M256-L423 HydrophobicContact CB-CD1 4.27Å; M256-L423 HydrophobicContact CE-CD1 3.28Å; M256-L423 HydrophobicContact CE-CD2 3.49Å; M256-L423 VanDerWaalsContact CE-CD2 3.49Å; M256-L423 HydrophobicContact CE-CG 4.01Å; M256-L423 HydrophobicContact CG-CD1 3.94Å; M256-L423 HydrophobicContact SD-CD1 4.45Å; M256-C424 PolarHBondContact N-O 2.99Å; M256-L425 HydrophobicContact CB-CD2 3.9Å; M256-L425 HydrophobicContact CE-CD2 4Å; M256-R426 PolarHBondContact O-N 3.09Å
257	Y	96.7	Very high	79	Confident	69 Å²	69	87.9 Å²	87.9	27%	0.271	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.1	175.3	-63.9	-85.9	0	0	0	110	V255 R426 Y428 Q430 Y433	V255-Y257 HydrophobicContact CG1-CE2 3.94Å; Y257-R426 WeakPolarHBondContact CA-O 3.5Å; Y257-R426 HydrophobicContact CD1-CB 3.88Å; Y257-R426 HydrophobicContact CE1-CB 4.15Å; Y257-R426 VanDerWaalsContact CE1-CD 3.42Å; Y257-R426 HydrophobicContact CE1-CG 4.38Å; Y257-R426 PolarHBondContact OH-NH1 3.14Å; Y257-Y428 WeakPolarHBondContact CB-O 3.07Å; Y257-Y428 HydrophobicContact CD1-CD2 4.41Å; Y257-Y428 HydrophobicContact CD1-CE2 4.49Å; Y257-Y428 HydrophobicContact CE1-CE2 4.28Å; Y257-Q430 HydrophobicContact CD1-CB 4.14Å; Y257-Q430 HydrophobicContact CD2-CB 3.84Å; Y257-Q430 HydrophobicContact CD2-CG 4.18Å; Y257-Q430 HydrophobicContact CE1-CB 4.4Å; Y257-Q430 HydrophobicContact CE2-CB 4.14Å; Y257-Q430 HydrophobicContact CE2-CG 3.99Å; Y257-Q430 HydrophobicContact CG-CB 3.84Å; Y257-Y433 HydrophobicContact CE1-CD1 4.41Å; Y257-Y433 HydrophobicContact CE1-CG 4.06Å; Y257-Y433 WeakPolarHBondContact OH-CD1 3.46Å
258	R	93.5	Very high	80.8	Confident	140 Å²	140	86.3 Å²	86.3	53%	0.528	47%	0.466	S	S	.	.			trans	-132.1	105.1	176.8	-170.2	171.9	-163	164.4	5.7	110	L260 M273 R426 L427 Y428	R258-L260 PolarHBondContact O-N 3.49Å; R258-M273 VanDerWaalsContact NH1-CE 3.28Å; R258-M273 PolarHBondContact NH1-SD 3.4Å; R258-R426 PolarHBondContact N-O 2.91Å; R258-L427 HydrophobicContact CB-CD2 4.44Å; R258-L427 CarbonylContact O-C 3.27Å; R258-L427 VanDerWaalsContact O-CA 3.26Å; R258-L427 WeakPolarHBondContact O-CA 3.38Å; R258-Y428 PolarHBondContact N-O 3.02Å; R258-Y428 PolarHBondContact O-N 3.1Å; R258-Y428 VanDerWaalsContact O-N 3.09Å
259	E	90.1	Very high	82.8	Confident	144 Å²	144	83.6 Å²	83.6	67%	0.673	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-67.8	131	173.6	-170.5	161.9	-147.8	0	0	110.8
260	L	87.4	Confident	85.2	Confident	52 Å²	52	78.5 Å²	78.5	27%	0.272	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-73.1	130.1	175	-63.4	178	0	0	0	109.4	R258 P266 A269 L427	R258-L260 PolarHBondContact O-N 3.49Å; L260-P266 HydrophobicContact CD1-CB 4.4Å; L260-P266 HydrophobicContact CD1-CG 4.39Å; L260-A269 HydrophobicContact CD2-CB 3.33Å; L260-L427 HydrophobicContact CD2-CB 4.27Å; L260-L427 HydrophobicContact CG-CB 4.39Å
261	S	82	Confident	87.6	Confident	62 Å²	62	71.6 Å²	71.6	43%	0.434	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-62.7	140.1	172	54.4	0	0	0	0	110.2	G263 K264	S261-G263 PolarHBondContact O-N 3.32Å; S261-K264 PolarHBondContact O-N 3Å; S261-K264 VanDerWaalsContact O-N 3.09Å; S261-K264 WeakPolarHBondContact OG-CD 3.48Å; S261-K264 VanDerWaalsContact OG-CE 3.28Å; S261-K264 WeakPolarHBondContact OG-CE 3.39Å; S261-K264 WeakPolarHBondContact OG-CG 3.47Å
262	S	73.9	Confident	89.4	Confident	133 Å²	133	72.9 Å²	72.9	93%	0.93	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	128.4	177.7	-176.1	0	0	0	0	112.1
263	G	71.5	Confident	90.4	Very high	80 Å²	80	66.8 Å²	66.8	83%	0.825	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-0.9	178.3	0	0	0	0	0	116.1	S261	S261-G263 PolarHBondContact O-N 3.32Å
264	K	78.3	Confident	90.8	Very high	127 Å²	127	65.2 Å²	65.2	55%	0.552	35%	0.353	S	S	*	.			trans	-85.1	132.5	168.2	-73.7	-167.4	-177	-177.1	0	111.2	S261	S261-K264 PolarHBondContact O-N 3Å; S261-K264 VanDerWaalsContact O-N 3.09Å; S261-K264 WeakPolarHBondContact OG-CD 3.48Å; S261-K264 VanDerWaalsContact OG-CE 3.28Å; S261-K264 WeakPolarHBondContact OG-CE 3.39Å; S261-K264 WeakPolarHBondContact OG-CG 3.47Å
265	E	88.9	Confident	90.8	Very high	125 Å²	125	59.6 Å²	59.6	58%	0.584	33%	0.327	S	S	*	.			trans	-75.2	138.8	175	-68.4	176.3	161.8	0	0	111.2	V267 S268 A269	E265-V267 VanDerWaalsContact C-N 3.31Å; E265-V267 PolarHBondContact O-N 3.35Å; E265-S268 PolarHBondContact O-N 3.27Å; E265-A269 PolarHBondContact O-N 2.9Å; E265-A269 VanDerWaalsContact O-N 3.11Å
266	P	91.3	Very high	90.7	Very high	30 Å²	30	60.2 Å²	60.2	20%	0.195	33%	0.328	C	S	.	.	H	α-helix	trans	-55.8	-42.3	-179.2	-25.8	34	0	0	0	113.4	L260 A269 A270 T382 L384	L260-P266 HydrophobicContact CD1-CB 4.4Å; L260-P266 HydrophobicContact CD1-CG 4.39Å; P266-A269 PolarHBondContact O-N 2.87Å; P266-A270 PolarHBondContact O-N 2.84Å; P266-T382 HydrophobicContact CB-CG2 4.04Å; P266-L384 HydrophobicContact CG-CD1 3.96Å
267	V	95.1	Very high	90.5	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-54.4	179.3	179.4	0	0	0	0	110.8	E265 A269 A270 C271 L290 E295 E298 C299 L302	E265-V267 VanDerWaalsContact C-N 3.31Å; E265-V267 PolarHBondContact O-N 3.35Å; V267-A269 VanDerWaalsContact C-N 3.28Å; V267-A269 PolarHBondContact O-N 2.8Å; V267-A270 WeakPolarHBondContact O-CB 3.45Å; V267-A270 PolarHBondContact O-N 3.01Å; V267-A270 VanDerWaalsContact O-N 3.1Å; V267-C271 PolarHBondContact O-N 3.42Å; V267-C271 PolarHBondContact O-SG 3.25Å; V267-L290 HydrophobicContact CG2-CD2 4.35Å; V267-E295 HydrophobicContact CG2-CB 3.77Å; V267-E295 HydrophobicContact CG2-CG 3.71Å; V267-E298 HydrophobicContact CG1-CB 4.4Å; V267-E298 HydrophobicContact CG1-CG 4.19Å; V267-C299 HydrophobicContact CG1-CB 3.81Å; V267-L302 HydrophobicContact CG1-CD1 3.99Å
268	S	94.6	Very high	90.4	Very high	42 Å²	42	54 Å²	54	29%	0.294	30%	0.301	S	S	.	.	H	α-helix	trans	-58.7	-39.5	178.2	-179.6	0	0	0	0	112.3	E265 C271 H272	E265-S268 PolarHBondContact O-N 3.27Å; S268-C271 PolarHBondContact O-N 2.8Å; S268-H272 VanDerWaalsContact O-CG 3.31Å; S268-H272 PolarHBondContact O-N 2.93Å; S268-H272 PolarHBondContact O-ND1 2.86Å; S268-H272 PolarHBondContact OG-CE1 3.05Å
269	A	94.9	Very high	90.3	Very high	9 Å²	9	52.8 Å²	52.8	7%	0.074	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-41.3	176.4	0	0	0	0	0	112.3	L260 E265 P266 V267 H272 M273 L427	L260-A269 HydrophobicContact CD2-CB 3.33Å; E265-A269 PolarHBondContact O-N 2.9Å; E265-A269 VanDerWaalsContact O-N 3.11Å; P266-A269 PolarHBondContact O-N 2.87Å; V267-A269 VanDerWaalsContact C-N 3.28Å; V267-A269 PolarHBondContact O-N 2.8Å; A269-H272 PolarHBondContact O-N 3.3Å; A269-M273 WeakPolarHBondContact O-CG 3.36Å; A269-M273 PolarHBondContact O-N 2.91Å; A269-L427 HydrophobicContact CB-CD1 4.31Å
270	A	96.9	Very high	90.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-46	174.9	0	0	0	0	0	111.6	P266 V267 H272 M273 V274 V288 L290 V380 T382 L427	P266-A270 PolarHBondContact O-N 2.84Å; V267-A270 WeakPolarHBondContact O-CB 3.45Å; V267-A270 PolarHBondContact O-N 3.01Å; V267-A270 VanDerWaalsContact O-N 3.1Å; A270-H272 VanDerWaalsContact C-N 3.32Å; A270-H272 PolarHBondContact O-N 3.42Å; A270-M273 PolarHBondContact O-N 3.32Å; A270-M273 VanDerWaalsContact O-N 3.11Å; A270-V274 WeakPolarHBondContact O-CG2 3.39Å; A270-V274 PolarHBondContact O-N 3.42Å; A270-V288 HydrophobicContact CB-CG1 3.95Å; A270-L290 HydrophobicContact CB-CD2 4.19Å; A270-V380 HydrophobicContact CB-CG1 4.14Å; A270-T382 HydrophobicContact CB-CG2 4.41Å; A270-L427 HydrophobicContact CB-CD1 4.12Å
271	C	96.2	Very high	90.2	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-55.4	-47.2	174.8	-62.6	0	0	0	0	111.5	V267 S268 M273 V274 L275 C299 L303	V267-C271 PolarHBondContact O-N 3.42Å; V267-C271 PolarHBondContact O-SG 3.25Å; S268-C271 PolarHBondContact O-N 2.8Å; C271-M273 VanDerWaalsContact C-N 3.33Å; C271-M273 PolarHBondContact O-N 3.01Å; C271-V274 PolarHBondContact O-N 3.07Å; C271-L275 WeakPolarHBondContact O-CG 3.21Å; C271-L275 PolarHBondContact O-N 3.49Å; C271-C299 PolarHBondContact SG-SG 3.47Å; C271-L303 HydrophobicContact CB-CD2 4.05Å; C271-L303 HydrophobicContact CB-CG 4.29Å
272	H	94.8	Very high	90.5	Very high	89 Å²	89	52.5 Å²	52.5	41%	0.412	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-40.6	177.7	-70.5	132	0	0	0	112.3	S268 A269 A270 L275 D276	S268-H272 VanDerWaalsContact O-CG 3.31Å; S268-H272 PolarHBondContact O-N 2.93Å; S268-H272 PolarHBondContact O-ND1 2.86Å; S268-H272 PolarHBondContact OG-CE1 3.05Å; A269-H272 PolarHBondContact O-N 3.3Å; A270-H272 VanDerWaalsContact C-N 3.32Å; A270-H272 PolarHBondContact O-N 3.42Å; H272-L275 PolarHBondContact O-N 3.34Å; H272-D276 WeakPolarHBondContact O-CB 3.43Å; H272-D276 VanDerWaalsContact O-CG 3.24Å; H272-D276 PolarHBondContact O-N 3.29Å
273	M	95.7	Very high	91.2	Very high	19 Å²	19	52.3 Å²	52.3	9%	0.094	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-40.1	177.7	-68	-51.4	85.5	0	0	112.7	R258 A269 A270 C271 D276 L277 V380 L425 L427	R258-M273 VanDerWaalsContact NH1-CE 3.28Å; R258-M273 PolarHBondContact NH1-SD 3.4Å; A269-M273 WeakPolarHBondContact O-CG 3.36Å; A269-M273 PolarHBondContact O-N 2.91Å; A270-M273 PolarHBondContact O-N 3.32Å; A270-M273 VanDerWaalsContact O-N 3.11Å; C271-M273 VanDerWaalsContact C-N 3.33Å; C271-M273 PolarHBondContact O-N 3.01Å; M273-D276 WeakPolarHBondContact CE-OD2 3.33Å; M273-D276 PolarHBondContact O-N 3.15Å; M273-L277 WeakPolarHBondContact O-CB 3.35Å; M273-L277 VanDerWaalsContact O-CG 3.27Å; M273-L277 WeakPolarHBondContact O-CG 3.26Å; M273-L277 PolarHBondContact O-N 3.43Å; M273-V380 HydrophobicContact CB-CG1 4.29Å; M273-V380 HydrophobicContact CB-CG2 4.27Å; M273-L425 HydrophobicContact CB-CD1 4.17Å; M273-L425 HydrophobicContact CG-CD1 4.31Å; M273-L425 HydrophobicContact SD-CD1 4.41Å; M273-L427 HydrophobicContact CG-CD2 3.93Å
274	V	96.4	Very high	92.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.2	-50.1	173.2	168.9	0	0	0	0	110.2	A270 C271 D276 L277 H278 M286 V288 L303 V360	A270-V274 WeakPolarHBondContact O-CG2 3.39Å; A270-V274 PolarHBondContact O-N 3.42Å; C271-V274 PolarHBondContact O-N 3.07Å; V274-D276 PolarHBondContact O-N 3.15Å; V274-L277 PolarHBondContact O-N 3Å; V274-H278 PolarHBondContact O-N 3.43Å; V274-M286 HydrophobicContact CB-SD 4.18Å; V274-M286 HydrophobicContact CG1-SD 3.82Å; V274-M286 HydrophobicContact CG2-SD 4.23Å; V274-M286 WeakPolarHBondContact O-CE 3.23Å; V274-V288 HydrophobicContact CG2-CG2 3.49Å; V274-V288 VanDerWaalsContact CG2-CG2 3.49Å; V274-L303 HydrophobicContact CB-CD2 4.01Å; V274-L303 HydrophobicContact CG1-CD1 4.32Å; V274-L303 HydrophobicContact CG1-CD2 3.77Å; V274-V360 HydrophobicContact CG1-CG1 4.06Å; V274-V360 HydrophobicContact CG1-CG2 4.13Å; V274-V360 HydrophobicContact CG2-CG1 4.38Å
275	L	95.3	Very high	92.8	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-39.2	-179.3	-63.7	170	0	0	0	112.2	C271 H272 H278 R279 L303 E306 L310 L317	C271-L275 WeakPolarHBondContact O-CG 3.21Å; C271-L275 PolarHBondContact O-N 3.49Å; H272-L275 PolarHBondContact O-N 3.34Å; L275-H278 PolarHBondContact O-N 2.97Å; L275-R279 VanDerWaalsContact O-CG 3.26Å; L275-R279 WeakPolarHBondContact O-CG 3.34Å; L275-R279 PolarHBondContact O-N 3.39Å; L275-L303 HydrophobicContact CD2-CD2 4.21Å; L275-L303 HydrophobicContact CG-CD2 4.08Å; L275-E306 HydrophobicContact CD1-CB 3.7Å; L275-E306 HydrophobicContact CD1-CG 4.27Å; L275-L310 HydrophobicContact CD2-CD1 3.93Å; L275-L310 HydrophobicContact CD2-CD2 4.49Å; L275-L317 HydrophobicContact CD2-CD1 4.49Å
276	D	94.2	Very high	93.2	Very high	65 Å²	65	38.6 Å²	38.6	35%	0.348	20%	0.198	S	C	.	.	H	α-helix	trans	-65.8	-41.3	177	-76.5	-10.5	0	0	0	112.1	H272 M273 V274 H278 R279 R280	H272-D276 WeakPolarHBondContact O-CB 3.43Å; H272-D276 VanDerWaalsContact O-CG 3.24Å; H272-D276 PolarHBondContact O-N 3.29Å; M273-D276 WeakPolarHBondContact CE-OD2 3.33Å; M273-D276 PolarHBondContact O-N 3.15Å; V274-D276 PolarHBondContact O-N 3.15Å; D276-H278 VanDerWaalsContact C-N 3.35Å; D276-R279 PolarHBondContact O-N 3.29Å; D276-R279 IonicContact OD1-NH1 2.72Å; D276-R279 PolarHBondContact OD1-NH1 2.84Å; D276-R280 WeakPolarHBondContact O-CG 3.48Å; D276-R280 PolarHBondContact O-N 3.07Å
277	L	93.5	Very high	93.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-39.5	174.3	-73.6	173.4	0	0	0	111.4	M273 V274 R280 M286 Y378 V380 L423 L425	M273-L277 WeakPolarHBondContact O-CB 3.35Å; M273-L277 VanDerWaalsContact O-CG 3.27Å; M273-L277 WeakPolarHBondContact O-CG 3.26Å; M273-L277 PolarHBondContact O-N 3.43Å; V274-L277 PolarHBondContact O-N 3Å; L277-R280 WeakPolarHBondContact O-CB 3.46Å; L277-R280 PolarHBondContact O-N 2.86Å; L277-M286 HydrophobicContact CB-CE 3.37Å; L277-M286 HydrophobicContact CB-SD 4.19Å; L277-M286 HydrophobicContact CD1-CE 4.44Å; L277-M286 HydrophobicContact CD1-SD 4.28Å; L277-Y378 HydrophobicContact CD1-CD1 3.99Å; L277-Y378 HydrophobicContact CD1-CG 4.11Å; L277-Y378 HydrophobicContact CD2-CD1 3.76Å; L277-Y378 HydrophobicContact CD2-CE1 3.91Å; L277-Y378 HydrophobicContact CG-CD1 4.44Å; L277-V380 HydrophobicContact CD1-CG2 4.26Å; L277-L423 HydrophobicContact CD2-CD2 4.09Å; L277-L425 HydrophobicContact CD1-CD1 3.88Å; L277-L425 HydrophobicContact CD2-CD1 4.38Å; L277-L425 HydrophobicContact CG-CD1 4.24Å
278	H	93.1	Very high	93.6	Very high	3 Å²	3	37 Å²	37	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-41	177.2	-171.1	59.8	0	0	0	112	V274 L275 D276 R280 G281 M286 L314 G315 L317	V274-H278 PolarHBondContact O-N 3.43Å; L275-H278 PolarHBondContact O-N 2.97Å; D276-H278 VanDerWaalsContact C-N 3.35Å; H278-R280 PolarHBondContact O-N 3.47Å; H278-R280 VanDerWaalsContact O-N 3.16Å; H278-G281 PolarHBondContact O-N 2.87Å; H278-M286 HydrophobicContact CB-CE 4.12Å; H278-L314 PolarHBondContact CE1-O 2.82Å; H278-L314 PolarHBondContact NE2-O 2.91Å; H278-G315 PolarHBondContact NE2-O 3.16Å; H278-L317 HydrophobicContact CB-CD1 4.4Å; H278-L317 HydrophobicContact CB-CD2 4.29Å; H278-L317 WeakPolarHBondContact ND1-CD2 3.34Å
279	R	92.9	Very high	93.7	Very high	115 Å²	115	35 Å²	35	43%	0.434	17%	0.173	S	C	.	.	H	α-helix	trans	-62	-20.5	176.9	-73.5	170.4	-169.7	126.1	3.7	114	L275 D276 G281 L314	L275-R279 VanDerWaalsContact O-CG 3.26Å; L275-R279 WeakPolarHBondContact O-CG 3.34Å; L275-R279 PolarHBondContact O-N 3.39Å; D276-R279 PolarHBondContact O-N 3.29Å; D276-R279 IonicContact OD1-NH1 2.72Å; D276-R279 PolarHBondContact OD1-NH1 2.84Å; R279-G281 PolarHBondContact O-N 3.34Å; R279-L314 HydrophobicContact CG-CD1 4.07Å
280	R	90.7	Very high	93.9	Very high	133 Å²	133	34.5 Å²	34.5	50%	0.502	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.9	174.7	-63.4	175.7	-169.1	-170.3	1.6	112.5	D276 L277 H278 E282	D276-R280 WeakPolarHBondContact O-CG 3.48Å; D276-R280 PolarHBondContact O-N 3.07Å; L277-R280 WeakPolarHBondContact O-CB 3.46Å; L277-R280 PolarHBondContact O-N 2.86Å; H278-R280 PolarHBondContact O-N 3.47Å; H278-R280 VanDerWaalsContact O-N 3.16Å; R280-E282 HydrophobicContact CB-CG 4.35Å; R280-E282 PolarHBondContact O-N 3.36Å
281	G	83.5	Confident	93.8	Very high	40 Å²	40	34.7 Å²	34.7	41%	0.412	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	12.3	176.6	0	0	0	0	0	114.9	H278 R279 V356	H278-G281 PolarHBondContact O-N 2.87Å; R279-G281 PolarHBondContact O-N 3.34Å; G281-V356 WeakPolarHBondContact O-CG2 3.2Å
282	E	88.4	Confident	93.7	Very high	78 Å²	78	35.9 Å²	35.9	36%	0.364	18%	0.177	S	C	.	.			trans	-78.8	162.1	175.9	-60.8	-177.6	-172.1	0	0	111.5	R280 R358 R377 Y378	R280-E282 HydrophobicContact CB-CG 4.35Å; R280-E282 PolarHBondContact O-N 3.36Å; E282-R358 PolarHBondContact O-NH2 3.5Å; E282-R377 IonicContact OE2-CZ 3.68Å; E282-R377 VanDerWaalsContact OE2-CZ 3.29Å; E282-R377 IonicContact OE2-NH1 3.29Å; E282-R377 PolarHBondContact OE2-NH1 3.3Å; E282-R377 IonicContact OE2-NH2 2.95Å; E282-R377 PolarHBondContact OE2-NH2 3.46Å; E282-Y378 VanDerWaalsContact CB-OH 3.3Å; E282-Y378 WeakPolarHBondContact CB-OH 3.29Å; E282-Y378 PolarHBondContact OE2-OH 2.78Å
283	E	88.6	Confident	93.5	Very high	129 Å²	129	33.1 Å²	33.1	60%	0.603	17%	0.17	S	C	*	.			trans	-82.3	161.6	178.3	-62.2	-174.5	167.3	0	0	113.4	V356 R377	E283-V356 HydrophobicContact CG-CG1 4.29Å; E283-V356 HydrophobicContact CG-CG2 4.23Å; E283-R377 WeakPolarHBondContact O-CD 3.49Å; E283-R377 PolarHBondContact O-NH1 3.3Å
284	G	90.5	Very high	93.2	Very high	18 Å²	18	39.3 Å²	39.3	19%	0.186	20%	0.199	C	C	.	.			trans	112.3	144.5	169.9	0	0	0	0	0	114.3	R358	G284-R358 WeakPolarHBondContact O-CD 3.28Å; G284-R358 WeakPolarHBondContact O-CG 3.44Å; G284-R358 PolarHBondContact O-NE 3.48Å; G284-R358 PolarHBondContact O-NH1 3.38Å
285	D	94	Very high	93.1	Very high	26 Å²	26	40.9 Å²	40.9	14%	0.139	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	162.4	-175.9	-68.9	-27.7	0	0	0	112.2	K359 G375 R377 Y378	D285-K359 HydrophobicContact CB-CB 4.26Å; D285-K359 PolarHBondContact OD1-N 2.96Å; D285-G375 PolarHBondContact N-O 3.33Å; D285-R377 PolarHBondContact O-N 2.77Å; D285-Y378 PolarHBondContact O-N 3.15Å; D285-Y378 VanDerWaalsContact O-N 3.11Å
286	M	95.8	Very high	93.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.3	178.6	-52.1	-176	-170.1	0	0	111.6	V274 L277 H278 R358 K359 V360 I361 Y378	V274-M286 HydrophobicContact CB-SD 4.18Å; V274-M286 HydrophobicContact CG1-SD 3.82Å; V274-M286 HydrophobicContact CG2-SD 4.23Å; V274-M286 WeakPolarHBondContact O-CE 3.23Å; L277-M286 HydrophobicContact CB-CE 3.37Å; L277-M286 HydrophobicContact CB-SD 4.19Å; L277-M286 HydrophobicContact CD1-CE 4.44Å; L277-M286 HydrophobicContact CD1-SD 4.28Å; H278-M286 HydrophobicContact CB-CE 4.12Å; M286-R358 VanDerWaalsContact CE-CD 3.49Å; M286-R358 VanDerWaalsContact CG-NH1 3.34Å; M286-K359 PolarHBondContact N-O 2.95Å; M286-V360 HydrophobicContact CB-CG1 4.42Å; M286-V360 HydrophobicContact CB-CG2 4.33Å; M286-V360 HydrophobicContact CG-CG2 4.48Å; M286-V360 WeakPolarHBondContact O-CA 3.42Å; M286-V360 HydrophobicContact SD-CG2 4.32Å; M286-I361 PolarHBondContact O-N 3.31Å; M286-Y378 CarbonylContact C-O 3.57Å; M286-Y378 VanDerWaalsContact CA-O 3.3Å; M286-Y378 WeakPolarHBondContact CA-O 3.3Å; M286-Y378 HydrophobicContact CG-CD2 4.34Å
287	M	96.8	Very high	92.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.3	167.9	-168.2	170.5	-168.6	0	0	109.7	F289 I361 G367 L373 V376 Y378 V379 V380 R415	M287-F289 HydrophobicContact CE-CE1 3.95Å; M287-F289 HydrophobicContact CE-CE2 4.19Å; M287-F289 HydrophobicContact CE-CZ 3.48Å; M287-F289 VanDerWaalsContact CE-CZ 3.48Å; M287-F289 HydrophobicContact CG-CE2 3.87Å; M287-F289 HydrophobicContact CG-CZ 4.13Å; M287-F289 HydrophobicContact SD-CE2 3.87Å; M287-F289 HydrophobicContact SD-CZ 3.69Å; M287-I361 CarbonylContact C-O 3.52Å; M287-I361 WeakPolarHBondContact CA-O 3.34Å; M287-I361 HydrophobicContact CG-CB 4.39Å; M287-G367 VanDerWaalsContact CE-CA 3.45Å; M287-G367 WeakPolarHBondContact CE-O 3.45Å; M287-L373 HydrophobicContact CE-CD1 4.22Å; M287-L373 HydrophobicContact SD-CD1 4.34Å; M287-V376 HydrophobicContact CB-CG1 3.88Å; M287-Y378 PolarHBondContact N-O 3.04Å; M287-V379 HydrophobicContact CB-CG2 4.41Å; M287-V379 CarbonylContact O-C 3.57Å; M287-V379 VanDerWaalsContact O-CA 3.27Å; M287-V379 WeakPolarHBondContact O-CA 3.41Å; M287-V380 PolarHBondContact O-N 2.97Å; M287-R415 HydrophobicContact SD-CB 3.93Å; M287-R415 HydrophobicContact SD-CG 3.97Å
288	V	98.2	Very high	92.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125	-176.1	-173.5	0	0	0	0	108.7	A270 V274 L290 V360 I361 L362 S363 V380	A270-V288 HydrophobicContact CB-CG1 3.95Å; V274-V288 HydrophobicContact CG2-CG2 3.49Å; V274-V288 VanDerWaalsContact CG2-CG2 3.49Å; V288-L290 HydrophobicContact CG1-CD1 4.47Å; V288-L290 HydrophobicContact CG1-CD2 4.39Å; V288-L290 HydrophobicContact CG1-CG 4.21Å; V288-V360 HydrophobicContact CG2-CG1 4.16Å; V288-I361 PolarHBondContact N-O 2.95Å; V288-L362 HydrophobicContact CB-CD2 3.73Å; V288-L362 HydrophobicContact CG1-CD2 4.31Å; V288-L362 HydrophobicContact CG2-CD2 3.75Å; V288-S363 PolarHBondContact O-N 3.47Å; V288-V380 CarbonylContact C-O 3.59Å; V288-V380 WeakPolarHBondContact CA-O 3.36Å; V288-V380 HydrophobicContact CG1-CB 4.2Å; V288-V380 HydrophobicContact CG1-CG1 4.38Å; V288-V380 HydrophobicContact CG2-CB 4.28Å
289	F	98.1	Very high	93	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.5	178.1	-70.9	-84.5	0	0	0	111.5	M287 S363 D364 E368 V379 V380 T382 R412 R415	M287-F289 HydrophobicContact CE-CE1 3.95Å; M287-F289 HydrophobicContact CE-CE2 4.19Å; M287-F289 HydrophobicContact CE-CZ 3.48Å; M287-F289 VanDerWaalsContact CE-CZ 3.48Å; M287-F289 HydrophobicContact CG-CE2 3.87Å; M287-F289 HydrophobicContact CG-CZ 4.13Å; M287-F289 HydrophobicContact SD-CE2 3.87Å; M287-F289 HydrophobicContact SD-CZ 3.69Å; F289-S363 CarbonylContact C-O 3.54Å; F289-S363 VanDerWaalsContact CA-O 3.29Å; F289-S363 WeakPolarHBondContact CA-O 3.2Å; F289-D364 WeakPolarHBondContact CD1-O 3.39Å; F289-E368 HydrophobicContact CE1-CG 3.91Å; F289-V379 HydrophobicContact CD2-CG1 3.96Å; F289-V379 HydrophobicContact CE2-CG1 4.04Å; F289-V380 PolarHBondContact N-O 2.89Å; F289-T382 WeakPolarHBondContact O-CB 3.5Å; F289-T382 WeakPolarHBondContact O-CG2 3.31Å; F289-T382 PolarHBondContact O-N 3.25Å; F289-T382 PolarHBondContact O-OG1 3.11Å; F289-R412 HydrophobicContact CD1-CG 3.97Å; F289-R412 HydrophobicContact CD2-CB 3.93Å; F289-R412 HydrophobicContact CD2-CG 3.76Å; F289-R412 HydrophobicContact CE1-CG 3.93Å; F289-R412 HydrophobicContact CE2-CB 3.76Å; F289-R412 HydrophobicContact CE2-CG 3.72Å; F289-R412 HydrophobicContact CG-CG 3.89Å; F289-R412 HydrophobicContact CZ-CB 4.23Å; F289-R412 HydrophobicContact CZ-CG 3.8Å; F289-R415 HydrophobicContact CE2-CG 4.39Å; F289-R415 HydrophobicContact CZ-CG 4.09Å
290	L	97.4	Very high	93.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.			trans	-116	171	-178.1	-63.6	161.6	0	0	0	110.1	V267 A270 V288 E295 V296 C299 S363 T382	V267-L290 HydrophobicContact CG2-CD2 4.35Å; A270-L290 HydrophobicContact CB-CD2 4.19Å; V288-L290 HydrophobicContact CG1-CD1 4.47Å; V288-L290 HydrophobicContact CG1-CD2 4.39Å; V288-L290 HydrophobicContact CG1-CG 4.21Å; L290-E295 HydrophobicContact CB-CB 4.03Å; L290-V296 HydrophobicContact CB-CG2 4.09Å; L290-V296 HydrophobicContact CD1-CB 4.33Å; L290-V296 HydrophobicContact CD1-CG2 3.93Å; L290-C299 HydrophobicContact CD1-CB 3.52Å; L290-S363 PolarHBondContact N-O 2.81Å; L290-T382 HydrophobicContact CD2-CG2 3.96Å
291	A	95.5	Very high	93.2	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.033	21%	0.205	C	C	.	.	S	Bend	trans	-73.9	-34.5	-170.8	0	0	0	0	0	113.6	E295 L384 Q385 L386 L401	A291-E295 WeakPolarHBondContact CB-OE2 3.47Å; A291-E295 PolarHBondContact N-OE2 2.99Å; A291-L384 HydrophobicContact CB-CB 4.04Å; A291-Q385 WeakPolarHBondContact O-CA 3.14Å; A291-L386 PolarHBondContact O-N 3.43Å; A291-L401 HydrophobicContact CB-CD1 3.76Å
292	D	93.8	Very high	93.7	Very high	31 Å²	31	38.4 Å²	38.4	17%	0.166	20%	0.199	C	C	.	.	S	Bend	trans	-157.4	178.6	-178.4	62.7	36.1	0	0	0	112.1	Q294 E295 V296 L386	D292-Q294 VanDerWaalsContact C-N 3.29Å; D292-Q294 PolarHBondContact O-N 3.43Å; D292-Q294 WeakPolarHBondContact OD1-CA 3.45Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.42Å; D292-Q294 PolarHBondContact OD1-N 3.45Å; D292-E295 PolarHBondContact O-N 2.82Å; D292-E295 PolarHBondContact OD1-N 3.04Å; D292-V296 WeakPolarHBondContact O-CG2 3.17Å; D292-V296 PolarHBondContact O-N 2.81Å; D292-V296 VanDerWaalsContact O-N 3.12Å; D292-L386 HydrophobicContact CB-CB 3.9Å; D292-L386 HydrophobicContact CB-CD2 4.26Å; D292-L386 WeakPolarHBondContact OD2-CD2 3.48Å
293	A	90.8	Very high	94	Very high	31 Å²	31	34.7 Å²	34.7	26%	0.256	18%	0.182	S	C	.	.	H	α-helix	trans	-61.3	-31.9	177.1	0	0	0	0	0	113.9	V296 E297 H323	A293-V296 WeakPolarHBondContact O-CB 3.4Å; A293-V296 PolarHBondContact O-N 2.93Å; A293-E297 PolarHBondContact O-N 3.28Å; A293-E297 VanDerWaalsContact O-N 3.1Å; A293-H323 HydrophobicContact CB-CB 4.02Å; A293-H323 WeakPolarHBondContact CB-ND1 3.45Å
294	Q	89.9	Confident	94.3	Very high	149 Å²	149	33 Å²	33	70%	0.696	17%	0.174	S	C	*	.	H	α-helix	trans	-69.6	-44	179.6	-178.4	179	-13.5	0	0	110.7	D292 V296 E297 E298	D292-Q294 VanDerWaalsContact C-N 3.29Å; D292-Q294 PolarHBondContact O-N 3.43Å; D292-Q294 WeakPolarHBondContact OD1-CA 3.45Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.42Å; D292-Q294 PolarHBondContact OD1-N 3.45Å; Q294-V296 VanDerWaalsContact C-N 3.28Å; Q294-V296 PolarHBondContact O-N 3.46Å; Q294-E297 PolarHBondContact O-N 3.41Å; Q294-E298 WeakPolarHBondContact O-CB 3.41Å; Q294-E298 PolarHBondContact O-N 2.92Å
295	E	94.3	Very high	94.4	Very high	33 Å²	33	38.9 Å²	38.9	15%	0.154	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-34.8	173.4	-73.2	-166.3	174.5	0	0	111.8	V267 L290 A291 D292 E298 C299	V267-E295 HydrophobicContact CG2-CB 3.77Å; V267-E295 HydrophobicContact CG2-CG 3.71Å; L290-E295 HydrophobicContact CB-CB 4.03Å; A291-E295 WeakPolarHBondContact CB-OE2 3.47Å; A291-E295 PolarHBondContact N-OE2 2.99Å; D292-E295 PolarHBondContact O-N 2.82Å; D292-E295 PolarHBondContact OD1-N 3.04Å; E295-E298 PolarHBondContact O-N 2.65Å; E295-C299 VanDerWaalsContact O-CB 3.23Å; E295-C299 WeakPolarHBondContact O-CB 3.48Å; E295-C299 PolarHBondContact O-N 3.11Å
296	V	94.8	Very high	94.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-49.7	174	170.4	0	0	0	0	111.4	L290 D292 A293 Q294 C299 L300 P321 L362	L290-V296 HydrophobicContact CB-CG2 4.09Å; L290-V296 HydrophobicContact CD1-CB 4.33Å; L290-V296 HydrophobicContact CD1-CG2 3.93Å; D292-V296 WeakPolarHBondContact O-CG2 3.17Å; D292-V296 PolarHBondContact O-N 2.81Å; D292-V296 VanDerWaalsContact O-N 3.12Å; A293-V296 WeakPolarHBondContact O-CB 3.4Å; A293-V296 PolarHBondContact O-N 2.93Å; Q294-V296 VanDerWaalsContact C-N 3.28Å; Q294-V296 PolarHBondContact O-N 3.46Å; V296-C299 PolarHBondContact O-N 2.84Å; V296-L300 WeakPolarHBondContact O-CB 3.34Å; V296-L300 PolarHBondContact O-N 3.13Å; V296-P321 HydrophobicContact CG1-CB 3.9Å; V296-L362 HydrophobicContact CG1-CB 3.84Å
297	E	91.2	Very high	94	Very high	74 Å²	74	43.2 Å²	43.2	35%	0.346	22%	0.218	S	C	.	.	H	α-helix	trans	-66.7	-39.6	178.8	-69.4	-61	157.5	0	0	112.2	A293 Q294 C299 L300 V301 H323	A293-E297 PolarHBondContact O-N 3.28Å; A293-E297 VanDerWaalsContact O-N 3.1Å; Q294-E297 PolarHBondContact O-N 3.41Å; E297-C299 PolarHBondContact O-N 3.36Å; E297-L300 WeakPolarHBondContact O-CB 3.4Å; E297-L300 PolarHBondContact O-N 3.43Å; E297-V301 WeakPolarHBondContact O-CG2 3.44Å; E297-V301 PolarHBondContact O-N 3.18Å; E297-H323 IonicContact OE1-NE2 3.9Å; E297-H323 PolarHBondContact OE1-NE2 3.44Å
298	E	92.8	Very high	93.6	Very high	82 Å²	82	50.6 Å²	50.6	38%	0.383	26%	0.256	S	S	.	.	H	α-helix	trans	-60.2	-47	173.9	-173.3	-175.1	165	0	0	111.4	V267 Q294 E295 L300 V301 L302	V267-E298 HydrophobicContact CG1-CB 4.4Å; V267-E298 HydrophobicContact CG1-CG 4.19Å; Q294-E298 WeakPolarHBondContact O-CB 3.41Å; Q294-E298 PolarHBondContact O-N 2.92Å; E295-E298 PolarHBondContact O-N 2.65Å; E298-L300 VanDerWaalsContact C-N 3.3Å; E298-L300 PolarHBondContact O-N 3.21Å; E298-V301 PolarHBondContact O-N 3.11Å; E298-L302 HydrophobicContact CG-CD1 4.16Å; E298-L302 WeakPolarHBondContact O-CB 3.41Å; E298-L302 VanDerWaalsContact O-CG 3.32Å; E298-L302 WeakPolarHBondContact O-CG 3.18Å; E298-L302 PolarHBondContact O-N 3.34Å
299	C	95.7	Very high	93.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-41.3	176.8	-170	0	0	0	0	111.6	V267 C271 L290 E295 V296 E297 L302 L303 L362	V267-C299 HydrophobicContact CG1-CB 3.81Å; C271-C299 PolarHBondContact SG-SG 3.47Å; L290-C299 HydrophobicContact CD1-CB 3.52Å; E295-C299 VanDerWaalsContact O-CB 3.23Å; E295-C299 WeakPolarHBondContact O-CB 3.48Å; E295-C299 PolarHBondContact O-N 3.11Å; V296-C299 PolarHBondContact O-N 2.84Å; E297-C299 PolarHBondContact O-N 3.36Å; C299-L302 PolarHBondContact O-N 2.83Å; C299-L303 VanDerWaalsContact O-CB 3.29Å; C299-L303 WeakPolarHBondContact O-CB 3.41Å; C299-L303 VanDerWaalsContact O-CG 3.3Å; C299-L303 WeakPolarHBondContact O-CG 3.36Å; C299-L303 PolarHBondContact O-N 3.12Å; C299-L362 HydrophobicContact CB-CD1 4.38Å
300	L	94.3	Very high	92.7	Very high	17 Å²	17	56 Å²	56	9%	0.089	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-50.9	177.7	178.9	63	0	0	0	111.2	V296 E297 E298 L302 L303 Q304 F319 P321 L362	V296-L300 WeakPolarHBondContact O-CB 3.34Å; V296-L300 PolarHBondContact O-N 3.13Å; E297-L300 WeakPolarHBondContact O-CB 3.4Å; E297-L300 PolarHBondContact O-N 3.43Å; E298-L300 VanDerWaalsContact C-N 3.3Å; E298-L300 PolarHBondContact O-N 3.21Å; L300-L302 PolarHBondContact O-N 2.76Å; L300-L303 PolarHBondContact O-N 3.06Å; L300-Q304 HydrophobicContact CD1-CG 4.35Å; L300-Q304 WeakPolarHBondContact O-CB 3.48Å; L300-Q304 VanDerWaalsContact O-CG 3.27Å; L300-Q304 WeakPolarHBondContact O-CG 3.3Å; L300-Q304 PolarHBondContact O-N 3.34Å; L300-F319 HydrophobicContact CD1-CB 3.32Å; L300-F319 HydrophobicContact CD1-CG 4.13Å; L300-P321 HydrophobicContact CD2-CG 4.3Å; L300-L362 HydrophobicContact CB-CD1 3.8Å; L300-L362 HydrophobicContact CD1-CD1 4.06Å
301	V	92.9	Very high	92.1	Very high	79 Å²	79	58.6 Å²	58.6	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-44.7	179.3	172.2	0	0	0	0	111.1	E297 E298 Q304 K305	E297-V301 WeakPolarHBondContact O-CG2 3.44Å; E297-V301 PolarHBondContact O-N 3.18Å; E298-V301 PolarHBondContact O-N 3.11Å; V301-Q304 PolarHBondContact O-N 2.92Å; V301-K305 WeakPolarHBondContact O-CB 3.32Å; V301-K305 PolarHBondContact O-N 3.49Å
302	L	94	Very high	91.5	Very high	55 Å²	55	64.4 Å²	64.4	29%	0.288	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-47.2	177.8	-72.1	173.6	0	0	0	111.8	V267 E298 C299 L300 K305 E306	V267-L302 HydrophobicContact CG1-CD1 3.99Å; E298-L302 HydrophobicContact CG-CD1 4.16Å; E298-L302 WeakPolarHBondContact O-CB 3.41Å; E298-L302 VanDerWaalsContact O-CG 3.32Å; E298-L302 WeakPolarHBondContact O-CG 3.18Å; E298-L302 PolarHBondContact O-N 3.34Å; C299-L302 PolarHBondContact O-N 2.83Å; L300-L302 PolarHBondContact O-N 2.76Å; L302-K305 PolarHBondContact O-N 2.83Å; L302-E306 WeakPolarHBondContact O-CB 3.45Å; L302-E306 WeakPolarHBondContact O-CG 3.36Å; L302-E306 PolarHBondContact O-N 3.22Å
303	L	95.4	Very high	91	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-64.3	-41.3	179.3	-79.1	172.1	0	0	0	112.3	C271 V274 L275 C299 L300 K305 E306 S307 F319 L362	C271-L303 HydrophobicContact CB-CD2 4.05Å; C271-L303 HydrophobicContact CB-CG 4.29Å; V274-L303 HydrophobicContact CB-CD2 4.01Å; V274-L303 HydrophobicContact CG1-CD1 4.32Å; V274-L303 HydrophobicContact CG1-CD2 3.77Å; L275-L303 HydrophobicContact CD2-CD2 4.21Å; L275-L303 HydrophobicContact CG-CD2 4.08Å; C299-L303 VanDerWaalsContact O-CB 3.29Å; C299-L303 WeakPolarHBondContact O-CB 3.41Å; C299-L303 VanDerWaalsContact O-CG 3.3Å; C299-L303 WeakPolarHBondContact O-CG 3.36Å; C299-L303 PolarHBondContact O-N 3.12Å; L300-L303 PolarHBondContact O-N 3.06Å; L303-K305 PolarHBondContact O-N 3.45Å; L303-E306 PolarHBondContact O-N 3.44Å; L303-S307 WeakPolarHBondContact O-CB 3.44Å; L303-S307 PolarHBondContact O-N 3.31Å; L303-S307 PolarHBondContact O-OG 3.37Å; L303-F319 HydrophobicContact CB-CD1 4.03Å; L303-F319 HydrophobicContact CB-CE1 3.64Å; L303-F319 HydrophobicContact CB-CE2 4.25Å; L303-F319 HydrophobicContact CB-CZ 3.75Å; L303-F319 HydrophobicContact CD1-CD1 3.95Å; L303-F319 HydrophobicContact CD1-CE1 3.87Å; L303-F319 HydrophobicContact CD2-CE1 4.24Å; L303-F319 HydrophobicContact CG-CE1 4.14Å; L303-L362 HydrophobicContact CD1-CD1 4.12Å; L303-L362 HydrophobicContact CD1-CD2 3.84Å
304	Q	93.5	Very high	90.7	Very high	94 Å²	94	71.1 Å²	71.1	44%	0.439	38%	0.378	S	S	.	.	H	α-helix	trans	-59.3	-48.1	175.4	-75.8	174.8	-3.6	0	0	110.9	L300 V301 S307 F319	L300-Q304 HydrophobicContact CD1-CG 4.35Å; L300-Q304 WeakPolarHBondContact O-CB 3.48Å; L300-Q304 VanDerWaalsContact O-CG 3.27Å; L300-Q304 WeakPolarHBondContact O-CG 3.3Å; L300-Q304 PolarHBondContact O-N 3.34Å; V301-Q304 PolarHBondContact O-N 2.92Å; Q304-S307 PolarHBondContact O-N 3.32Å; Q304-S307 PolarHBondContact O-OG 2.96Å; Q304-F319 HydrophobicContact CG-CD2 3.9Å; Q304-F319 HydrophobicContact CG-CE2 4.29Å
305	K	92.4	Very high	90.5	Very high	142 Å²	142	65 Å²	65	62%	0.617	36%	0.356	S	S	*	.	H	α-helix	trans	-59.6	-50.6	177.9	-178.9	-174.6	173.5	-170	0	112.5	V301 L302 L303 S307 L308	V301-K305 WeakPolarHBondContact O-CB 3.32Å; V301-K305 PolarHBondContact O-N 3.49Å; L302-K305 PolarHBondContact O-N 2.83Å; L303-K305 PolarHBondContact O-N 3.45Å; K305-S307 VanDerWaalsContact C-N 3.32Å; K305-S307 PolarHBondContact O-N 3.45Å; K305-L308 PolarHBondContact O-N 3.31Å
306	E	91.9	Very high	90.2	Very high	85 Å²	85	66.6 Å²	66.6	40%	0.397	37%	0.37	S	S	.	.	H	α-helix	trans	-71.2	-28.9	-177	-67.5	-63.1	139.4	0	0	112.1	L275 L302 L303 L308 A309	L275-E306 HydrophobicContact CD1-CB 3.7Å; L275-E306 HydrophobicContact CD1-CG 4.27Å; L302-E306 WeakPolarHBondContact O-CB 3.45Å; L302-E306 WeakPolarHBondContact O-CG 3.36Å; L302-E306 PolarHBondContact O-N 3.22Å; L303-E306 PolarHBondContact O-N 3.44Å; E306-L308 PolarHBondContact O-N 3.1Å; E306-A309 PolarHBondContact O-N 2.99Å; E306-A309 VanDerWaalsContact O-N 3.13Å
307	S	90	Very high	90	Very high	32 Å²	32	68 Å²	68	22%	0.224	38%	0.378	C	S	.	.	H	α-helix	trans	-63.9	-28.7	178.5	73.5	0	0	0	0	113.3	L303 Q304 K305 A309 L310	L303-S307 WeakPolarHBondContact O-CB 3.44Å; L303-S307 PolarHBondContact O-N 3.31Å; L303-S307 PolarHBondContact O-OG 3.37Å; Q304-S307 PolarHBondContact O-N 3.32Å; Q304-S307 PolarHBondContact O-OG 2.96Å; K305-S307 VanDerWaalsContact C-N 3.32Å; K305-S307 PolarHBondContact O-N 3.45Å; S307-A309 PolarHBondContact O-N 2.76Å; S307-L310 WeakPolarHBondContact O-CB 3.29Å; S307-L310 PolarHBondContact O-N 2.53Å; S307-L310 VanDerWaalsContact O-N 3.15Å
308	L	89	Confident	90.1	Very high	154 Å²	154	66.7 Å²	66.7	81%	0.806	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.1	176.8	-64.2	173.9	0	0	0	112.8	K305 E306	K305-L308 PolarHBondContact O-N 3.31Å; E306-L308 PolarHBondContact O-N 3.1Å
309	A	88.9	Confident	90.1	Very high	85 Å²	85	64.1 Å²	64.1	70%	0.702	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.6	177.9	0	0	0	0	0	113.1	E306 S307	E306-A309 PolarHBondContact O-N 2.99Å; E306-A309 VanDerWaalsContact O-N 3.13Å; S307-A309 PolarHBondContact O-N 2.76Å
310	L	87.7	Confident	90	Very high	29 Å²	29	64.4 Å²	64.4	15%	0.152	36%	0.359	C	S	.	.	S	Bend	trans	-76.3	148.9	-179.6	-64.7	174.2	0	0	0	111.8	L275 S307 L314 L317	L275-L310 HydrophobicContact CD2-CD1 3.93Å; L275-L310 HydrophobicContact CD2-CD2 4.49Å; S307-L310 WeakPolarHBondContact O-CB 3.29Å; S307-L310 PolarHBondContact O-N 2.53Å; S307-L310 VanDerWaalsContact O-N 3.15Å; L310-L314 HydrophobicContact CB-CD1 4.44Å; L310-L314 HydrophobicContact CD2-CD1 4.3Å; L310-L317 HydrophobicContact CD1-CD1 3.99Å
311	S	85.1	Confident	89.9	Confident	55 Å²	55	64.7 Å²	64.7	39%	0.385	36%	0.361	S	S	.	.			trans	-61.9	131.5	173.2	178.2	0	0	0	0	110.1	Q313 L314	S311-Q313 PolarHBondContact O-N 2.99Å; S311-Q313 PolarHBondContact OG-N 2.91Å; S311-L314 PolarHBondContact O-N 3.05Å
312	P	83.1	Confident	89.9	Confident	125 Å²	125	60.9 Å²	60.9	81%	0.812	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-55.7	-22.6	175.6	-25.9	33.9	0	0	0	113.9	L314 G315	P312-L314 PolarHBondContact O-N 3.31Å; P312-G315 PolarHBondContact O-N 2.79Å
313	Q	83.6	Confident	89.7	Confident	164 Å²	164	58.8 Å²	58.8	77%	0.766	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-67.3	-20.5	179	-62.7	178	-6.8	0	0	113.6	S311 G315 G355	S311-Q313 PolarHBondContact O-N 2.99Å; S311-Q313 PolarHBondContact OG-N 2.91Å; Q313-G315 VanDerWaalsContact C-N 3.26Å; Q313-G315 PolarHBondContact O-N 2.89Å; Q313-G355 WeakPolarHBondContact O-CA 3.16Å
314	L	83.7	Confident	88.8	Confident	39 Å²	39	62.6 Å²	62.6	20%	0.204	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-76.6	-12.4	-179.4	-68.1	173	0	0	0	113.3	H278 R279 L310 S311 P312	H278-L314 PolarHBondContact CE1-O 2.82Å; H278-L314 PolarHBondContact NE2-O 2.91Å; R279-L314 HydrophobicContact CG-CD1 4.07Å; L310-L314 HydrophobicContact CB-CD1 4.44Å; L310-L314 HydrophobicContact CD2-CD1 4.3Å; S311-L314 PolarHBondContact O-N 3.05Å; P312-L314 PolarHBondContact O-N 3.31Å
315	G	85.6	Confident	87.7	Confident	22 Å²	22	60.9 Å²	60.9	23%	0.227	36%	0.361	C	S	.	.			trans	86.3	171	-174.9	0	0	0	0	0	112.7	H278 P312 Q313	H278-G315 PolarHBondContact NE2-O 3.16Å; P312-G315 PolarHBondContact O-N 2.79Å; Q313-G315 VanDerWaalsContact C-N 3.26Å; Q313-G315 PolarHBondContact O-N 2.89Å
316	S	88	Confident	86.7	Confident	66 Å²	66	55 Å²	55	46%	0.462	34%	0.336	S	S	.	.			trans	-88.8	140.3	-173.1	56.7	0	0	0	0	112.8	R357 R358	S316-R357 WeakPolarHBondContact O-CA 3.35Å; S316-R358 PolarHBondContact O-N 2.75Å
317	L	91.5	Very high	85.3	Confident	30 Å²	30	53.3 Å²	53.3	16%	0.157	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.1	170.4	-71.2	173.1	0	0	0	109.7	L275 H278 L310 F319 R358 V360	L275-L317 HydrophobicContact CD2-CD1 4.49Å; H278-L317 HydrophobicContact CB-CD1 4.4Å; H278-L317 HydrophobicContact CB-CD2 4.29Å; H278-L317 WeakPolarHBondContact ND1-CD2 3.34Å; L310-L317 HydrophobicContact CD1-CD1 3.99Å; L317-F319 HydrophobicContact CB-CE1 4.03Å; L317-F319 HydrophobicContact CB-CE2 4.11Å; L317-F319 HydrophobicContact CB-CZ 3.62Å; L317-F319 HydrophobicContact CD1-CE1 4.13Å; L317-F319 HydrophobicContact CD1-CZ 3.77Å; L317-F319 HydrophobicContact CG-CZ 4.32Å; L317-R358 HydrophobicContact CD2-CB 4.18Å; L317-V360 HydrophobicContact CD2-CG2 3.86Å
318	R	92.1	Very high	84	Confident	46 Å²	46	54.4 Å²	54.4	17%	0.174	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.7	169.5	-175.2	-178.4	-178.4	-166.9	-1.6	109.1	L320 E335 R358 K359 V360	R318-L320 HydrophobicContact CG-CD2 4.35Å; R318-L320 HydrophobicContact CG-CG 4.37Å; R318-E335 PolarHBondContact NH1-O 3.17Å; R318-E335 IonicContact NH2-OE2 3.86Å; R318-E335 PolarHBondContact NH2-OE2 2.77Å; R318-R358 PolarHBondContact N-O 2.9Å; R318-K359 CarbonylContact O-C 3.28Å; R318-K359 WeakPolarHBondContact O-CA 3.42Å; R318-V360 PolarHBondContact O-N 3.45Å
319	F	93.8	Very high	83.2	Confident	28 Å²	28	51.2 Å²	51.2	12%	0.123	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.7	177.7	-51.3	-70.7	0	0	0	110.8	L300 L303 Q304 L317 V360	L300-F319 HydrophobicContact CD1-CB 3.32Å; L300-F319 HydrophobicContact CD1-CG 4.13Å; L303-F319 HydrophobicContact CB-CD1 4.03Å; L303-F319 HydrophobicContact CB-CE1 3.64Å; L303-F319 HydrophobicContact CB-CE2 4.25Å; L303-F319 HydrophobicContact CB-CZ 3.75Å; L303-F319 HydrophobicContact CD1-CD1 3.95Å; L303-F319 HydrophobicContact CD1-CE1 3.87Å; L303-F319 HydrophobicContact CD2-CE1 4.24Å; L303-F319 HydrophobicContact CG-CE1 4.14Å; Q304-F319 HydrophobicContact CG-CD2 3.9Å; Q304-F319 HydrophobicContact CG-CE2 4.29Å; L317-F319 HydrophobicContact CB-CE1 4.03Å; L317-F319 HydrophobicContact CB-CE2 4.11Å; L317-F319 HydrophobicContact CB-CZ 3.62Å; L317-F319 HydrophobicContact CD1-CE1 4.13Å; L317-F319 HydrophobicContact CD1-CZ 3.77Å; L317-F319 HydrophobicContact CG-CZ 4.32Å; F319-V360 CarbonylContact C-O 3.59Å; F319-V360 WeakPolarHBondContact CA-O 3.46Å; F319-V360 HydrophobicContact CD1-CB 3.75Å; F319-V360 HydrophobicContact CD1-CG1 4.05Å; F319-V360 HydrophobicContact CD1-CG2 4.21Å; F319-V360 HydrophobicContact CE1-CB 4.17Å; F319-V360 HydrophobicContact CE1-CG1 4.42Å; F319-V360 HydrophobicContact CE1-CG2 4.14Å
320	L	93.1	Very high	82.7	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	105.8	-176.9	-64.2	170	0	0	0	108.9	R318 K359 V360 I361 L362	R318-L320 HydrophobicContact CG-CD2 4.35Å; R318-L320 HydrophobicContact CG-CG 4.37Å; L320-K359 HydrophobicContact CD1-CB 4.42Å; L320-K359 HydrophobicContact CD1-CD 4.33Å; L320-V360 PolarHBondContact N-O 3.34Å; L320-I361 HydrophobicContact CB-CG1 4.46Å; L320-I361 CarbonylContact O-C 3.6Å; L320-I361 VanDerWaalsContact O-CA 3.31Å; L320-I361 WeakPolarHBondContact O-CA 3.4Å; L320-L362 PolarHBondContact O-N 2.88Å
321	P	92.9	Very high	82.2	Confident	23 Å²	23	49.8 Å²	49.8	15%	0.149	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	147.3	172.1	30.3	-33.8	0	0	0	110.4	V296 L300 L326 L362	V296-P321 HydrophobicContact CG1-CB 3.9Å; L300-P321 HydrophobicContact CD2-CG 4.3Å; P321-L326 HydrophobicContact CB-CD1 4.25Å; P321-L326 HydrophobicContact CG-CD1 4.36Å; P321-L326 HydrophobicContact CG-CD2 4.24Å; P321-L326 WeakPolarHBondContact O-CD1 3.31Å; P321-L362 CarbonylContact C-O 3.53Å; P321-L362 WeakPolarHBondContact CA-O 3.37Å
322	L	91.9	Very high	82.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	93.4	175.9	-179.8	65	0	0	0	109.6	A330 V333 I361 L362 S363 L366 F371	L322-A330 HydrophobicContact CD1-CB 3.95Å; L322-V333 HydrophobicContact CB-CG1 4.38Å; L322-V333 HydrophobicContact CD1-CG1 4.17Å; L322-V333 HydrophobicContact CD2-CG1 4.47Å; L322-I361 HydrophobicContact CB-CG2 4.07Å; L322-I361 HydrophobicContact CD2-CG2 4.24Å; L322-L362 PolarHBondContact N-O 2.86Å; L322-S363 WeakPolarHBondContact O-CA 3.36Å; L322-S363 VanDerWaalsContact O-CB 3.3Å; L322-S363 WeakPolarHBondContact O-CB 3.33Å; L322-S363 PolarHBondContact O-OG 3.01Å; L322-L366 HydrophobicContact CD1-CD2 4.05Å; L322-L366 HydrophobicContact CG-CD2 4.27Å; L322-L366 HydrophobicContact CG-CG 4.47Å; L322-F371 HydrophobicContact CD1-CE1 3.96Å; L322-F371 HydrophobicContact CD1-CE2 4.37Å; L322-F371 HydrophobicContact CD1-CZ 3.86Å; L322-F371 HydrophobicContact CD2-CD2 4.25Å; L322-F371 HydrophobicContact CD2-CE2 4.31Å; L322-F371 HydrophobicContact CD2-CG 4.43Å
323	H	89.6	Confident	82	Confident	11 Å²	11	46.7 Å²	46.7	5%	0.051	28%	0.28	C	S	.	.	S	Bend	trans	-149.1	164.5	175	61	81.3	0	0	0	109.9	A293 E297 G325 L326 D364 L366	A293-H323 HydrophobicContact CB-CB 4.02Å; A293-H323 WeakPolarHBondContact CB-ND1 3.45Å; E297-H323 IonicContact OE1-NE2 3.9Å; E297-H323 PolarHBondContact OE1-NE2 3.44Å; H323-G325 WeakPolarHBondContact ND1-CA 3.48Å; H323-G325 PolarHBondContact ND1-N 2.86Å; H323-G325 VanDerWaalsContact ND1-N 3.19Å; H323-G325 PolarHBondContact O-N 2.78Å; H323-L326 WeakPolarHBondContact O-CB 3.29Å; H323-L326 WeakPolarHBondContact O-CG 3.41Å; H323-L326 PolarHBondContact O-N 2.86Å; H323-L326 VanDerWaalsContact O-N 3.11Å; H323-D364 WeakPolarHBondContact CB-OD2 3.3Å; H323-L366 VanDerWaalsContact C-CD2 3.45Å
324	S	77	Confident	81.9	Confident	80 Å²	80	42.5 Å²	42.5	56%	0.559	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.7	-173.3	54.9	0	0	0	0	114.7	L326	S324-L326 PolarHBondContact O-N 3.19Å; S324-L326 VanDerWaalsContact O-N 3.16Å
325	G	71.7	Confident	81.6	Confident	57 Å²	57	44.9 Å²	44.9	59%	0.588	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-4.9	174.2	0	0	0	0	0	115.8	H323 A327	H323-G325 WeakPolarHBondContact ND1-CA 3.48Å; H323-G325 PolarHBondContact ND1-N 2.86Å; H323-G325 VanDerWaalsContact ND1-N 3.19Å; H323-G325 PolarHBondContact O-N 2.78Å; G325-A327 PolarHBondContact O-N 3.47Å
326	L	71.1	Confident	80.6	Confident	18 Å²	18	48.3 Å²	48.3	9%	0.094	29%	0.288	C	S	.	.	S	Bend	trans	-84.5	91.5	179.5	-66.5	175.1	0	0	0	110.5	P321 H323 S324 G328 L329	P321-L326 HydrophobicContact CB-CD1 4.25Å; P321-L326 HydrophobicContact CG-CD1 4.36Å; P321-L326 HydrophobicContact CG-CD2 4.24Å; P321-L326 WeakPolarHBondContact O-CD1 3.31Å; H323-L326 WeakPolarHBondContact O-CB 3.29Å; H323-L326 WeakPolarHBondContact O-CG 3.41Å; H323-L326 PolarHBondContact O-N 2.86Å; H323-L326 VanDerWaalsContact O-N 3.11Å; S324-L326 PolarHBondContact O-N 3.19Å; S324-L326 VanDerWaalsContact O-N 3.16Å; L326-G328 VanDerWaalsContact C-N 3.34Å; L326-G328 PolarHBondContact O-N 3.32Å; L326-L329 HydrophobicContact CB-CB 4.18Å; L326-L329 PolarHBondContact O-N 2.85Å
327	A	61.2	Low	79	Confident	50 Å²	50	45.6 Å²	45.6	41%	0.413	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	84.5	179.8	0	0	0	0	0	113.6	G325 L329 A596	G325-A327 PolarHBondContact O-N 3.47Å; A327-L329 PolarHBondContact O-N 3.32Å; A327-A596 HydrophobicContact CB-CB 3.69Å
328	G	64.1	Low	76.5	Confident	56 Å²	56	49.5 Å²	49.5	58%	0.577	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	-9.3	-176.5	0	0	0	0	0	115.4	L326 A330	L326-G328 VanDerWaalsContact C-N 3.34Å; L326-G328 PolarHBondContact O-N 3.32Å; G328-A330 PolarHBondContact O-N 2.9Å
329	L	72.2	Confident	74.3	Confident	87 Å²	87	50.6 Å²	50.6	46%	0.455	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-77.4	-4.6	-176.9	-59.4	177.8	0	0	0	113.6	L326 A327 Q331 R332	L326-L329 HydrophobicContact CB-CB 4.18Å; L326-L329 PolarHBondContact O-N 2.85Å; A327-L329 PolarHBondContact O-N 3.32Å; L329-Q331 PolarHBondContact O-N 2.83Å; L329-R332 HydrophobicContact CB-CG 4.48Å; L329-R332 VanDerWaalsContact O-CB 3.28Å; L329-R332 WeakPolarHBondContact O-CB 3.48Å; L329-R332 VanDerWaalsContact O-CG 3.22Å; L329-R332 WeakPolarHBondContact O-CG 3.48Å; L329-R332 PolarHBondContact O-N 3.43Å; L329-R332 VanDerWaalsContact O-N 3.07Å
330	A	77.8	Confident	71.8	Confident	3 Å²	3	52 Å²	52	3%	0.025	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-56.9	-31.4	176.1	0	0	0	0	0	112.3	E124 L322 G328 R332 V333	E124-A330 HydrophobicContact CB-CB 4.2Å; E124-A330 HydrophobicContact CG-CB 4.06Å; L322-A330 HydrophobicContact CD1-CB 3.95Å; G328-A330 PolarHBondContact O-N 2.9Å; A330-R332 PolarHBondContact O-N 2.83Å; A330-R332 VanDerWaalsContact O-N 3.15Å; A330-V333 WeakPolarHBondContact O-CG1 3.25Å; A330-V333 WeakPolarHBondContact O-CG2 3.36Å; A330-V333 PolarHBondContact O-N 3.29Å
331	Q	77.9	Confident	69	Low	80 Å²	80	59.9 Å²	59.9	37%	0.374	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-64.4	-17.4	178.2	-67.2	-174.5	-5.1	0	0	114.1	L127 L131 L329 V333 Y334	L127-Q331 HydrophobicContact CD2-CG 3.88Å; L127-Q331 VanDerWaalsContact CG-NE2 3.32Å; L131-Q331 HydrophobicContact CD1-CG 4.46Å; L329-Q331 PolarHBondContact O-N 2.83Å; Q331-V333 PolarHBondContact O-N 3.16Å; Q331-Y334 WeakPolarHBondContact O-CB 3.37Å; Q331-Y334 PolarHBondContact O-N 2.57Å
332	R	83.3	Confident	66.4	Low	110 Å²	110	64 Å²	64	42%	0.415	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-60	-17.3	178.7	-64.8	178.5	66.9	-167.7	1.1	113.2	L329 A330 Y334 E335	L329-R332 HydrophobicContact CB-CG 4.48Å; L329-R332 VanDerWaalsContact O-CB 3.28Å; L329-R332 WeakPolarHBondContact O-CB 3.48Å; L329-R332 VanDerWaalsContact O-CG 3.22Å; L329-R332 WeakPolarHBondContact O-CG 3.48Å; L329-R332 PolarHBondContact O-N 3.43Å; L329-R332 VanDerWaalsContact O-N 3.07Å; A330-R332 PolarHBondContact O-N 2.83Å; A330-R332 VanDerWaalsContact O-N 3.15Å; R332-Y334 PolarHBondContact O-N 2.93Å; R332-E335 WeakPolarHBondContact CG-OE1 3.49Å; R332-E335 PolarHBondContact O-N 3.47Å
333	V	80.3	Confident	63.6	Low	6 Å²	6	73.1 Å²	73.1	4%	0.036	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-61.6	-26.4	171.3	-59.5	0	0	0	0	113	L322 A330 Q331 L373	L322-V333 HydrophobicContact CB-CG1 4.38Å; L322-V333 HydrophobicContact CD1-CG1 4.17Å; L322-V333 HydrophobicContact CD2-CG1 4.47Å; A330-V333 WeakPolarHBondContact O-CG1 3.25Å; A330-V333 WeakPolarHBondContact O-CG2 3.36Å; A330-V333 PolarHBondContact O-N 3.29Å; Q331-V333 PolarHBondContact O-N 3.16Å; V333-L373 HydrophobicContact CB-CD2 3.75Å; V333-L373 HydrophobicContact CG2-CD2 3.68Å
334	Y	81.2	Confident	61.2	Low	75 Å²	75	80.6 Å²	80.6	29%	0.294	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-89.7	-14.4	178.6	-60.2	-58.2	0	0	0	114	S128 Q331 R332 S336 F371 S372 L373	S128-Y334 WeakPolarHBondContact OG-CE2 3.32Å; S128-Y334 VanDerWaalsContact OG-CZ 3.26Å; S128-Y334 PolarHBondContact OG-OH 2.75Å; Q331-Y334 WeakPolarHBondContact O-CB 3.37Å; Q331-Y334 PolarHBondContact O-N 2.57Å; R332-Y334 PolarHBondContact O-N 2.93Å; Y334-S336 PolarHBondContact O-N 3.37Å; Y334-F371 HydrophobicContact CE2-CD1 4.47Å; Y334-F371 WeakPolarHBondContact OH-CA 3.39Å; Y334-S372 PolarHBondContact OH-N 3.3Å; Y334-L373 HydrophobicContact CE1-CD2 4.21Å
335	E	78.3	Confident	59.3	Low	89 Å²	89	80.2 Å²	80.2	42%	0.416	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-63.1	120.7	-179.9	-70.8	172.9	176.6	0	0	111.3	R318 R332 G337	R318-E335 PolarHBondContact NH1-O 3.17Å; R318-E335 IonicContact NH2-OE2 3.86Å; R318-E335 PolarHBondContact NH2-OE2 2.77Å; R332-E335 WeakPolarHBondContact CG-OE1 3.49Å; R332-E335 PolarHBondContact O-N 3.47Å; E335-G337 PolarHBondContact O-N 3.25Å
336	S	62.6	Low	57.5	Low	95 Å²	95	82.7 Å²	82.7	66%	0.664	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-61.9	125.6	163.5	-65	0	0	0	0	108.9	Y334	Y334-S336 PolarHBondContact O-N 3.37Å
337	G	54.7	Low	56	Low	8 Å²	8	88 Å²	88	8%	0.082	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-62.5	154.3	-176.5	0	0	0	0	0	111.7	E335 G339 A340	E335-G337 PolarHBondContact O-N 3.25Å; G337-G339 PolarHBondContact O-N 3.26Å; G337-A340 WeakPolarHBondContact O-CB 3.36Å; G337-A340 PolarHBondContact O-N 2.74Å; G337-A340 VanDerWaalsContact O-N 3.11Å
338	P	39.9	Very low	54.8	Low	113 Å²	113	89.9 Å²	89.9	73%	0.734	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	121.5	173.5	20.5	-29.7	0	0	0	108.6	R357	P338-R357 PolarHBondContact O-NH1 3.39Å; P338-R357 PolarHBondContact O-NH2 3.12Å
339	G	45.7	Very low	53.6	Low	68 Å²	68	95.7 Å²	95.7	70%	0.701	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	15.6	-176	0	0	0	0	0	117	G337	G337-G339 PolarHBondContact O-N 3.26Å
340	A	41.2	Very low	52	Low	59 Å²	59	95.1 Å²	95.1	49%	0.488	57%	0.565	S	S	.	*			trans	-79.2	-16.1	175.3	0	0	0	0	0	114.3	G337	G337-A340 WeakPolarHBondContact O-CB 3.36Å; G337-A340 PolarHBondContact O-N 2.74Å; G337-A340 VanDerWaalsContact O-N 3.11Å
341	E	34.2	Very low	50.1	Low	170 Å²	170	99.9 Å²	99.9	79%	0.794	60%	0.604	S	S	*	*	S	Bend	trans	-89.4	121	166.8	-64.8	-114.4	142.1	0	0	107.8	K343	E341-K343 PolarHBondContact O-N 2.85Å
342	P	38.4	Very low	48.3	Very low	108 Å²	108	100.9 Å²	100.9	70%	0.701	63%	0.626	S	S	*	*			trans	-58	115.7	156.2	1.8	11.2	0	0	0	105.2	D344	P342-D344 VanDerWaalsContact C-N 3.27Å; P342-D344 PolarHBondContact O-N 3.45Å
343	K	33.9	Very low	46.6	Very low	192 Å²	192	100.1 Å²	100.1	84%	0.835	64%	0.643	S	S	*	*			trans	-61.9	102.9	162.8	-77.5	-175.5	175.6	179.8	0	105.8	E341 G345	E341-K343 PolarHBondContact O-N 2.85Å; K343-G345 PolarHBondContact O-N 3.14Å
344	D	39.3	Very low	45.4	Very low	168 Å²	168	106 Å²	106	90%	0.898	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	104.3	167.6	-84.4	-34.4	0	0	0	107.6	P342	P342-D344 VanDerWaalsContact C-N 3.27Å; P342-D344 PolarHBondContact O-N 3.45Å
345	G	35.9	Very low	44.5	Very low	72 Å²	72	103.4 Å²	103.4	74%	0.742	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.5	4.8	167.9	0	0	0	0	0	119.4	K343	K343-G345 PolarHBondContact O-N 3.14Å
346	D	34.7	Very low	44.3	Very low	110 Å²	110	100.8 Å²	100.8	59%	0.588	67%	0.67	S	S	*	*			trans	-123.7	97.7	171.1	-151	-18.3	0	0	0	113.5	S348	D346-S348 VanDerWaalsContact CG-OG 3.27Å; D346-S348 PolarHBondContact O-N 3.04Å; D346-S348 VanDerWaalsContact O-N 3.09Å; D346-S348 WeakPolarHBondContact OD1-CB 3.22Å; D346-S348 PolarHBondContact OD1-N 2.89Å; D346-S348 PolarHBondContact OD1-OG 2.65Å; D346-S348 PolarHBondContact OD2-OG 2.94Å
347	P	39.4	Very low	45.3	Very low	128 Å²	128	101.8 Å²	101.8	83%	0.831	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	3.2	175.7	-14.6	29	0	0	0	114.2
348	S	36.3	Very low	46.9	Very low	91 Å²	91	101.5 Å²	101.5	64%	0.636	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-2.7	-169.1	72	0	0	0	0	116.6	D346	D346-S348 VanDerWaalsContact CG-OG 3.27Å; D346-S348 PolarHBondContact O-N 3.04Å; D346-S348 VanDerWaalsContact O-N 3.09Å; D346-S348 WeakPolarHBondContact OD1-CB 3.22Å; D346-S348 PolarHBondContact OD1-N 2.89Å; D346-S348 PolarHBondContact OD1-OG 2.65Å; D346-S348 PolarHBondContact OD2-OG 2.94Å
349	E	39.4	Very low	49.4	Very low	178 Å²	178	99.1 Å²	99.1	83%	0.832	63%	0.634	S	S	*	*			trans	-99.4	15.5	172.1	-71.4	-164.2	159.7	0	0	114.3	A351	E349-A351 PolarHBondContact O-N 2.8Å
350	G	37.1	Very low	51.8	Low	75 Å²	75	95.9 Å²	95.9	77%	0.773	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	74.7	175.6	0	0	0	0	0	113.4
351	A	38.3	Very low	54.4	Low	102 Å²	102	93.3 Å²	93.3	84%	0.843	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173.2	-11.8	158.7	0	0	0	0	0	117.5	E349	E349-A351 PolarHBondContact O-N 2.8Å
352	A	40.3	Very low	57.4	Low	102 Å²	102	85.2 Å²	85.2	84%	0.843	54%	0.541	S	S	*	.	S	Bend	trans	-107.9	-3.4	-159	0	0	0	0	0	118.5
353	A	47.9	Very low	60.1	Low	93 Å²	93	80.1 Å²	80.1	77%	0.769	51%	0.508	S	S	*	.			trans	-139.5	73.8	178.9	0	0	0	0	0	112.7	G355	A353-G355 PolarHBondContact O-N 2.86Å; A353-G355 VanDerWaalsContact O-N 3.15Å
354	S	55.8	Low	63	Low	129 Å²	129	71.6 Å²	71.6	90%	0.902	47%	0.471	S	S	*	.			trans	-74.2	9.3	177.8	-175.5	0	0	0	0	114.5
355	G	61	Low	65.5	Low	21 Å²	21	65.6 Å²	65.6	22%	0.216	44%	0.441	C	S	.	.	S	Bend	trans	-98.4	147.9	-174.5	0	0	0	0	0	113	Q313 A353 R357	Q313-G355 WeakPolarHBondContact O-CA 3.16Å; A353-G355 PolarHBondContact O-N 2.86Å; A353-G355 VanDerWaalsContact O-N 3.15Å; G355-R357 PolarHBondContact O-N 3.41Å
356	V	73.9	Confident	68.1	Low	34 Å²	34	62.3 Å²	62.3	21%	0.206	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-67.9	119	178.7	-179	0	0	0	0	109.7	G281 E283	G281-V356 WeakPolarHBondContact O-CG2 3.2Å; E283-V356 HydrophobicContact CG-CG1 4.29Å; E283-V356 HydrophobicContact CG-CG2 4.23Å
357	R	83.1	Confident	70.8	Confident	117 Å²	117	57.1 Å²	57.1	44%	0.442	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-77.5	129.1	168.3	-175.5	175.5	-167	-177.8	7.8	109	S316 P338 G355	S316-R357 WeakPolarHBondContact O-CA 3.35Å; P338-R357 PolarHBondContact O-NH1 3.39Å; P338-R357 PolarHBondContact O-NH2 3.12Å; G355-R357 PolarHBondContact O-N 3.41Å
358	R	89.4	Confident	73.2	Confident	2 Å²	2	51 Å²	51	1%	0.008	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137	-171.6	-174.7	-173.8	-80.5	-122.8	11.3	112.2	E282 G284 M286 S316 L317 R318	E282-R358 PolarHBondContact O-NH2 3.5Å; G284-R358 WeakPolarHBondContact O-CD 3.28Å; G284-R358 WeakPolarHBondContact O-CG 3.44Å; G284-R358 PolarHBondContact O-NE 3.48Å; G284-R358 PolarHBondContact O-NH1 3.38Å; M286-R358 VanDerWaalsContact CE-CD 3.49Å; M286-R358 VanDerWaalsContact CG-NH1 3.34Å; S316-R358 PolarHBondContact O-N 2.75Å; L317-R358 HydrophobicContact CD2-CB 4.18Å; R318-R358 PolarHBondContact N-O 2.9Å
359	K	93.1	Very high	75.7	Confident	62 Å²	62	46.8 Å²	46.8	27%	0.27	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	140.8	170.6	-53.6	179	-169.5	177.7	0	109.9	D285 M286 R318 L320	D285-K359 HydrophobicContact CB-CB 4.26Å; D285-K359 PolarHBondContact OD1-N 2.96Å; M286-K359 PolarHBondContact N-O 2.95Å; R318-K359 CarbonylContact O-C 3.28Å; R318-K359 WeakPolarHBondContact O-CA 3.42Å; L320-K359 HydrophobicContact CD1-CB 4.42Å; L320-K359 HydrophobicContact CD1-CD 4.33Å
360	V	95.6	Very high	77.8	Confident	0 Å²	0	39 Å²	39	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	107.3	174.8	-179.5	0	0	0	0	107.5	V274 M286 V288 L317 R318 F319 L320 L362	V274-V360 HydrophobicContact CG1-CG1 4.06Å; V274-V360 HydrophobicContact CG1-CG2 4.13Å; V274-V360 HydrophobicContact CG2-CG1 4.38Å; M286-V360 HydrophobicContact CB-CG1 4.42Å; M286-V360 HydrophobicContact CB-CG2 4.33Å; M286-V360 HydrophobicContact CG-CG2 4.48Å; M286-V360 WeakPolarHBondContact O-CA 3.42Å; M286-V360 HydrophobicContact SD-CG2 4.32Å; V288-V360 HydrophobicContact CG2-CG1 4.16Å; L317-V360 HydrophobicContact CD2-CG2 3.86Å; R318-V360 PolarHBondContact O-N 3.45Å; F319-V360 CarbonylContact C-O 3.59Å; F319-V360 WeakPolarHBondContact CA-O 3.46Å; F319-V360 HydrophobicContact CD1-CB 3.75Å; F319-V360 HydrophobicContact CD1-CG1 4.05Å; F319-V360 HydrophobicContact CD1-CG2 4.21Å; F319-V360 HydrophobicContact CE1-CB 4.17Å; F319-V360 HydrophobicContact CE1-CG1 4.42Å; F319-V360 HydrophobicContact CE1-CG2 4.14Å; L320-V360 PolarHBondContact N-O 3.34Å; V360-L362 HydrophobicContact CG1-CD2 3.83Å; V360-L362 HydrophobicContact CG1-CG 4.45Å
361	I	96	Very high	80.1	Confident	6 Å²	6	36 Å²	36	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.3	179.4	-56.6	173.4	0	0	0	107.8	M286 M287 V288 L320 L322 L373	M286-I361 PolarHBondContact O-N 3.31Å; M287-I361 CarbonylContact C-O 3.52Å; M287-I361 WeakPolarHBondContact CA-O 3.34Å; M287-I361 HydrophobicContact CG-CB 4.39Å; V288-I361 PolarHBondContact N-O 2.95Å; L320-I361 HydrophobicContact CB-CG1 4.46Å; L320-I361 CarbonylContact O-C 3.6Å; L320-I361 VanDerWaalsContact O-CA 3.31Å; L320-I361 WeakPolarHBondContact O-CA 3.4Å; L322-I361 HydrophobicContact CB-CG2 4.07Å; L322-I361 HydrophobicContact CD2-CG2 4.24Å; I361-L373 HydrophobicContact CD1-CD1 3.67Å; I361-L373 HydrophobicContact CD1-CD2 3.94Å; I361-L373 HydrophobicContact CD1-CG 4.28Å
362	L	97	Very high	82.1	Confident	0 Å²	0	33 Å²	33	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.8	178.9	-55.1	175.8	0	0	0	107.8	V288 V296 C299 L300 L303 L320 P321 L322 V360	V288-L362 HydrophobicContact CB-CD2 3.73Å; V288-L362 HydrophobicContact CG1-CD2 4.31Å; V288-L362 HydrophobicContact CG2-CD2 3.75Å; V296-L362 HydrophobicContact CG1-CB 3.84Å; C299-L362 HydrophobicContact CB-CD1 4.38Å; L300-L362 HydrophobicContact CB-CD1 3.8Å; L300-L362 HydrophobicContact CD1-CD1 4.06Å; L303-L362 HydrophobicContact CD1-CD1 4.12Å; L303-L362 HydrophobicContact CD1-CD2 3.84Å; L320-L362 PolarHBondContact O-N 2.88Å; P321-L362 CarbonylContact C-O 3.53Å; P321-L362 WeakPolarHBondContact CA-O 3.37Å; L322-L362 PolarHBondContact N-O 2.86Å; V360-L362 HydrophobicContact CG1-CD2 3.83Å; V360-L362 HydrophobicContact CG1-CG 4.45Å
363	S	95.6	Very high	84.1	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.7	-171.4	-163.2	0	0	0	0	112.8	V288 F289 L290 L322 G367	V288-S363 PolarHBondContact O-N 3.47Å; F289-S363 CarbonylContact C-O 3.54Å; F289-S363 VanDerWaalsContact CA-O 3.29Å; F289-S363 WeakPolarHBondContact CA-O 3.2Å; L290-S363 PolarHBondContact N-O 2.81Å; L322-S363 WeakPolarHBondContact O-CA 3.36Å; L322-S363 VanDerWaalsContact O-CB 3.3Å; L322-S363 WeakPolarHBondContact O-CB 3.33Å; L322-S363 PolarHBondContact O-OG 3.01Å; S363-G367 WeakPolarHBondContact OG-CA 3.49Å; S363-G367 PolarHBondContact OG-N 3.36Å
364	D	94.1	Very high	85.7	Confident	13 Å²	13	30.8 Å²	30.8	7%	0.07	17%	0.17	C	C	.	.	S	Bend	trans	-95.5	-145.5	166.4	63.1	2.5	0	0	0	109.6	F289 H323 L366 G367	F289-D364 WeakPolarHBondContact CD1-O 3.39Å; H323-D364 WeakPolarHBondContact CB-OD2 3.3Å; D364-L366 PolarHBondContact O-N 3.48Å; D364-L366 WeakPolarHBondContact OD1-CB 3.23Å; D364-L366 PolarHBondContact OD1-N 2.88Å; D364-G367 PolarHBondContact O-N 3.43Å
365	T	91.4	Very high	87.2	Confident	43 Å²	43	26 Å²	26	26%	0.264	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-62.2	-21.7	175.1	51	0	0	0	0	113.5	G367 E368 Q385	T365-G367 PolarHBondContact O-N 3.35Å; T365-E368 VanDerWaalsContact O-CB 3.24Å; T365-E368 WeakPolarHBondContact O-CB 3.48Å; T365-E368 PolarHBondContact O-N 3.41Å; T365-Q385 HydrophobicContact CG2-CB 4.14Å
366	L	91.7	Very high	88.7	Confident	3 Å²	3	25.1 Å²	25.1	2%	0.016	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-61	-32.7	179.9	-176.9	61.5	0	0	0	112.1	H122 E124 L322 H323 D364 E368 A369 F371	H122-L366 HydrophobicContact CB-CD1 4.08Å; E124-L366 HydrophobicContact CG-CD2 4.45Å; L322-L366 HydrophobicContact CD1-CD2 4.05Å; L322-L366 HydrophobicContact CG-CD2 4.27Å; L322-L366 HydrophobicContact CG-CG 4.47Å; H323-L366 VanDerWaalsContact C-CD2 3.45Å; D364-L366 PolarHBondContact O-N 3.48Å; D364-L366 WeakPolarHBondContact OD1-CB 3.23Å; D364-L366 PolarHBondContact OD1-N 2.88Å; L366-E368 PolarHBondContact O-N 2.91Å; L366-E368 VanDerWaalsContact O-N 3.09Å; L366-A369 HydrophobicContact CD1-CB 4.46Å; L366-A369 VanDerWaalsContact O-CB 3.25Å; L366-A369 WeakPolarHBondContact O-CB 3.31Å; L366-A369 PolarHBondContact O-N 3.42Å; L366-F371 HydrophobicContact CD1-CE2 3.9Å; L366-F371 HydrophobicContact CD1-CZ 4.16Å; L366-F371 HydrophobicContact CD2-CZ 4.29Å; L366-F371 HydrophobicContact CG-CE2 3.82Å; L366-F371 HydrophobicContact CG-CZ 4.07Å; L366-F371 WeakPolarHBondContact O-CE2 3.32Å
367	G	90.6	Very high	89.7	Confident	1 Å²	1	25 Å²	25	1%	0.01	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-65.4	-10.8	176.2	0	0	0	0	0	114.1	M287 S363 D364 T365 A369 R415	M287-G367 VanDerWaalsContact CE-CA 3.45Å; M287-G367 WeakPolarHBondContact CE-O 3.45Å; S363-G367 WeakPolarHBondContact OG-CA 3.49Å; S363-G367 PolarHBondContact OG-N 3.36Å; D364-G367 PolarHBondContact O-N 3.43Å; T365-G367 PolarHBondContact O-N 3.35Å; G367-A369 VanDerWaalsContact C-N 3.34Å; G367-R415 PolarHBondContact O-NE 3.46Å
368	E	90.4	Very high	90.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-81.2	-14	172.5	-58.1	175.8	-148.3	0	0	112.4	F289 T365 L366 Q408 R412 R415 R441	F289-E368 HydrophobicContact CE1-CG 3.91Å; T365-E368 VanDerWaalsContact O-CB 3.24Å; T365-E368 WeakPolarHBondContact O-CB 3.48Å; T365-E368 PolarHBondContact O-N 3.41Å; L366-E368 PolarHBondContact O-N 2.91Å; L366-E368 VanDerWaalsContact O-N 3.09Å; E368-Q408 VanDerWaalsContact OE2-CG 3.29Å; E368-Q408 WeakPolarHBondContact OE2-CG 3.42Å; E368-Q408 PolarHBondContact OE2-NE2 2.88Å; E368-R412 HydrophobicContact CG-CG 4.08Å; E368-R412 IonicContact OE1-CZ 2.78Å; E368-R412 IonicContact OE1-NE 2.62Å; E368-R412 PolarHBondContact OE1-NE 2.92Å; E368-R412 IonicContact OE1-NH2 2.62Å; E368-R412 PolarHBondContact OE1-NH2 2.94Å; E368-R415 PolarHBondContact O-NH2 2.85Å; E368-R441 IonicContact OE2-CZ 3.46Å; E368-R441 IonicContact OE2-NE 3.81Å; E368-R441 IonicContact OE2-NH2 3.32Å; E368-R441 PolarHBondContact OE2-NH2 2.75Å
369	A	88.3	Confident	90.7	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.017	11%	0.107	C	C	.	.	S	Bend	trans	-78.5	174.5	179.7	0	0	0	0	0	113.3	H122 A125 L366 G367 F371 R415	H122-A369 HydrophobicContact CB-CB 4.4Å; A125-A369 HydrophobicContact CB-CB 4.1Å; L366-A369 HydrophobicContact CD1-CB 4.46Å; L366-A369 VanDerWaalsContact O-CB 3.25Å; L366-A369 WeakPolarHBondContact O-CB 3.31Å; L366-A369 PolarHBondContact O-N 3.42Å; G367-A369 VanDerWaalsContact C-N 3.34Å; A369-F371 HydrophobicContact CB-CD2 4.2Å; A369-F371 HydrophobicContact CB-CE2 4.02Å; A369-F371 PolarHBondContact O-N 3.48Å; A369-R415 PolarHBondContact O-NH1 3.47Å; A369-R415 PolarHBondContact O-NH2 3.08Å
370	S	83.4	Confident	91	Very high	14 Å²	14	16.6 Å²	16.6	10%	0.098	10%	0.095	C	C	.	.			trans	-75.2	49.8	-169.3	-65.8	0	0	0	0	115.9	S95 E189	S95-S370 PolarHBondContact OG-OG 2.97Å; E189-S370 PolarHBondContact OE1-OG 3.48Å
371	F	85.6	Confident	91.1	Very high	11 Å²	11	16.6 Å²	16.6	5%	0.048	10%	0.095	C	C	.	.			trans	-75.7	134.2	169.9	-67.2	-90	0	0	0	111.8	E124 L322 Y334 L366 A369 L373 R415	E124-F371 HydrophobicContact CB-CE1 4.32Å; E124-F371 HydrophobicContact CB-CZ 3.78Å; L322-F371 HydrophobicContact CD1-CE1 3.96Å; L322-F371 HydrophobicContact CD1-CE2 4.37Å; L322-F371 HydrophobicContact CD1-CZ 3.86Å; L322-F371 HydrophobicContact CD2-CD2 4.25Å; L322-F371 HydrophobicContact CD2-CE2 4.31Å; L322-F371 HydrophobicContact CD2-CG 4.43Å; Y334-F371 HydrophobicContact CE2-CD1 4.47Å; Y334-F371 WeakPolarHBondContact OH-CA 3.39Å; L366-F371 HydrophobicContact CD1-CE2 3.9Å; L366-F371 HydrophobicContact CD1-CZ 4.16Å; L366-F371 HydrophobicContact CD2-CZ 4.29Å; L366-F371 HydrophobicContact CG-CE2 3.82Å; L366-F371 HydrophobicContact CG-CZ 4.07Å; L366-F371 WeakPolarHBondContact O-CE2 3.32Å; A369-F371 HydrophobicContact CB-CD2 4.2Å; A369-F371 HydrophobicContact CB-CE2 4.02Å; A369-F371 PolarHBondContact O-N 3.48Å; F371-L373 VanDerWaalsContact C-N 3.26Å; F371-L373 HydrophobicContact CB-CD1 4.32Å; F371-L373 HydrophobicContact CB-CD2 4.47Å; F371-L373 HydrophobicContact CB-CG 3.96Å; F371-L373 PolarHBondContact O-N 3.5Å; F371-L373 VanDerWaalsContact O-N 3.1Å; F371-R415 PolarHBondContact O-NH1 3.47Å
372	S	79.3	Confident	91.2	Very high	40 Å²	40	16.5 Å²	16.5	28%	0.28	9%	0.094	S	C	.	.			trans	-87.5	55.4	179.8	-66.1	0	0	0	0	111.9	Y334	Y334-S372 PolarHBondContact OH-N 3.3Å
373	L	83.4	Confident	91.1	Very high	15 Å²	15	16.5 Å²	16.5	8%	0.079	9%	0.094	C	C	.	.			trans	-75.4	135.7	179.1	-57.3	173.1	0	0	0	110.1	M287 V333 Y334 I361 F371 V376 N417	M287-L373 HydrophobicContact CE-CD1 4.22Å; M287-L373 HydrophobicContact SD-CD1 4.34Å; V333-L373 HydrophobicContact CB-CD2 3.75Å; V333-L373 HydrophobicContact CG2-CD2 3.68Å; Y334-L373 HydrophobicContact CE1-CD2 4.21Å; I361-L373 HydrophobicContact CD1-CD1 3.67Å; I361-L373 HydrophobicContact CD1-CD2 3.94Å; I361-L373 HydrophobicContact CD1-CG 4.28Å; F371-L373 VanDerWaalsContact C-N 3.26Å; F371-L373 HydrophobicContact CB-CD1 4.32Å; F371-L373 HydrophobicContact CB-CD2 4.47Å; F371-L373 HydrophobicContact CB-CG 3.96Å; F371-L373 PolarHBondContact O-N 3.5Å; F371-L373 VanDerWaalsContact O-N 3.1Å; L373-V376 HydrophobicContact CB-CG2 4.4Å; L373-N417 PolarHBondContact O-ND2 2.95Å
374	Q	82.1	Confident	91.1	Very high	133 Å²	133	17.3 Å²	17.3	62%	0.621	10%	0.099	S	C	*	.			trans	-112	147.8	177.3	-64.2	-172	-9	0	0	111.5
375	G	87.3	Confident	91.2	Very high	30 Å²	30	17.5 Å²	17.5	31%	0.309	10%	0.099	S	C	.	.			trans	84.5	9.7	168.2	0	0	0	0	0	115.7	D285 R377 N417	D285-G375 PolarHBondContact N-O 3.33Å; G375-R377 PolarHBondContact O-N 3.13Å; G375-N417 PolarHBondContact N-OD1 2.61Å
376	V	92.4	Very high	91.3	Very high	2 Å²	2	18 Å²	18	1%	0.012	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	114.4	176.7	179.6	0	0	0	0	108.9	M287 L373 V379 R415 V416 N417 S418	M287-V376 HydrophobicContact CB-CG1 3.88Å; L373-V376 HydrophobicContact CB-CG2 4.4Å; V376-V379 HydrophobicContact CG1-CG2 4.27Å; V376-R415 WeakPolarHBondContact CB-O 3.47Å; V376-V416 CarbonylContact O-C 3.44Å; V376-V416 WeakPolarHBondContact O-CA 3.49Å; V376-N417 PolarHBondContact N-OD1 3.38Å; V376-N417 PolarHBondContact O-N 2.94Å; V376-S418 PolarHBondContact O-N 3.16Å; V376-S418 VanDerWaalsContact O-N 3.17Å
377	R	93.9	Very high	91.3	Very high	31 Å²	31	20 Å²	20	12%	0.117	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-28.2	178.8	-171.5	179.1	173.2	-142.1	-14.9	112.6	E282 E283 D285 G375 P421 G422 L423	E282-R377 IonicContact OE2-CZ 3.68Å; E282-R377 VanDerWaalsContact OE2-CZ 3.29Å; E282-R377 IonicContact OE2-NH1 3.29Å; E282-R377 PolarHBondContact OE2-NH1 3.3Å; E282-R377 IonicContact OE2-NH2 2.95Å; E282-R377 PolarHBondContact OE2-NH2 3.46Å; E283-R377 WeakPolarHBondContact O-CD 3.49Å; E283-R377 PolarHBondContact O-NH1 3.3Å; D285-R377 PolarHBondContact O-N 2.77Å; G375-R377 PolarHBondContact O-N 3.13Å; R377-P421 PolarHBondContact NE-O 3.3Å; R377-P421 PolarHBondContact NH2-O 3.25Å; R377-G422 WeakPolarHBondContact O-CA 3.35Å; R377-L423 PolarHBondContact O-N 2.92Å
378	Y	96.9	Very high	91.4	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.4	-176.2	-53.3	-90.6	0	0	0	111.1	L277 E282 D285 M286 M287 L423	L277-Y378 HydrophobicContact CD1-CD1 3.99Å; L277-Y378 HydrophobicContact CD1-CG 4.11Å; L277-Y378 HydrophobicContact CD2-CD1 3.76Å; L277-Y378 HydrophobicContact CD2-CE1 3.91Å; L277-Y378 HydrophobicContact CG-CD1 4.44Å; E282-Y378 VanDerWaalsContact CB-OH 3.3Å; E282-Y378 WeakPolarHBondContact CB-OH 3.29Å; E282-Y378 PolarHBondContact OE2-OH 2.78Å; D285-Y378 PolarHBondContact O-N 3.15Å; D285-Y378 VanDerWaalsContact O-N 3.11Å; M286-Y378 CarbonylContact C-O 3.57Å; M286-Y378 VanDerWaalsContact CA-O 3.3Å; M286-Y378 WeakPolarHBondContact CA-O 3.3Å; M286-Y378 HydrophobicContact CG-CD2 4.34Å; M287-Y378 PolarHBondContact N-O 3.04Å; Y378-L423 CarbonylContact C-O 3.49Å; Y378-L423 VanDerWaalsContact CA-O 3.3Å; Y378-L423 WeakPolarHBondContact CA-O 3.36Å; Y378-L423 HydrophobicContact CD1-CB 3.93Å; Y378-L423 HydrophobicContact CD1-CD2 4.31Å; Y378-L423 HydrophobicContact CE1-CB 4.33Å
379	V	97.5	Very high	91.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.3	171.7	171.2	0	0	0	0	108.8	M287 F289 V376 R415 V416 L423 C424 L425	M287-V379 HydrophobicContact CB-CG2 4.41Å; M287-V379 CarbonylContact O-C 3.57Å; M287-V379 VanDerWaalsContact O-CA 3.27Å; M287-V379 WeakPolarHBondContact O-CA 3.41Å; F289-V379 HydrophobicContact CD2-CG1 3.96Å; F289-V379 HydrophobicContact CE2-CG1 4.04Å; V376-V379 HydrophobicContact CG1-CG2 4.27Å; V379-R415 HydrophobicContact CG2-CB 4.16Å; V379-V416 HydrophobicContact CB-CG2 4.25Å; V379-V416 HydrophobicContact CG2-CG2 3.6Å; V379-L423 PolarHBondContact N-O 2.95Å; V379-C424 HydrophobicContact CB-CB 4.36Å; V379-C424 CarbonylContact O-C 3.57Å; V379-C424 WeakPolarHBondContact O-CA 3.24Å; V379-L425 PolarHBondContact O-N 3.22Å
380	V	98.3	Very high	91.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.3	170.3	-178.6	0	0	0	0	107.5	A270 M273 L277 M287 V288 F289 L425 L427	A270-V380 HydrophobicContact CB-CG1 4.14Å; M273-V380 HydrophobicContact CB-CG1 4.29Å; M273-V380 HydrophobicContact CB-CG2 4.27Å; L277-V380 HydrophobicContact CD1-CG2 4.26Å; M287-V380 PolarHBondContact O-N 2.97Å; V288-V380 CarbonylContact C-O 3.59Å; V288-V380 WeakPolarHBondContact CA-O 3.36Å; V288-V380 HydrophobicContact CG1-CB 4.2Å; V288-V380 HydrophobicContact CG1-CG1 4.38Å; V288-V380 HydrophobicContact CG2-CB 4.28Å; F289-V380 PolarHBondContact N-O 2.89Å; V380-L425 HydrophobicContact CG2-CD1 4.4Å; V380-L427 HydrophobicContact CG1-CD1 3.82Å; V380-L427 HydrophobicContact CG1-CG 4.16Å
381	D	98.1	Very high	92.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.9	-174.3	177.4	22.9	0	0	0	110.8	G383 R412 L425 L427 Y428	D381-G383 VanDerWaalsContact C-N 3.28Å; D381-G383 PolarHBondContact OD1-N 3.26Å; D381-R412 WeakPolarHBondContact OD1-CD 3.39Å; D381-R412 IonicContact OD1-CZ 3.2Å; D381-R412 IonicContact OD1-NE 3.89Å; D381-R412 IonicContact OD1-NH1 3.49Å; D381-R412 PolarHBondContact OD1-NH1 3.33Å; D381-L425 PolarHBondContact N-O 3.21Å; D381-L427 PolarHBondContact O-N 3.27Å; D381-Y428 HydrophobicContact CB-CE1 4.48Å; D381-Y428 WeakPolarHBondContact O-CE1 3.29Å; D381-Y428 WeakPolarHBondContact OD2-CE1 3.08Å; D381-Y428 PolarHBondContact OD2-OH 3.09Å
382	T	97.3	Very high	92.4	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.025	15%	0.151	C	C	.	.			trans	-73.2	-19	174.8	56.7	0	0	0	0	113.5	P266 A270 F289 L290 L384 L427	P266-T382 HydrophobicContact CB-CG2 4.04Å; A270-T382 HydrophobicContact CB-CG2 4.41Å; F289-T382 WeakPolarHBondContact O-CB 3.5Å; F289-T382 WeakPolarHBondContact O-CG2 3.31Å; F289-T382 PolarHBondContact O-N 3.25Å; F289-T382 PolarHBondContact O-OG1 3.11Å; L290-T382 HydrophobicContact CD2-CG2 3.96Å; T382-L384 PolarHBondContact O-N 3.13Å; T382-L427 HydrophobicContact CG2-CD1 4.27Å
383	G	96.3	Very high	92.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.			trans	71.7	15.5	179.5	0	0	0	0	0	114.7	D381 S403 I404	D381-G383 VanDerWaalsContact C-N 3.28Å; D381-G383 PolarHBondContact OD1-N 3.26Å; G383-S403 WeakPolarHBondContact O-CA 3.42Å; G383-I404 PolarHBondContact O-N 2.83Å
384	L	95.6	Very high	92.8	Very high	18 Å²	18	32.3 Å²	32.3	9%	0.094	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	156.5	-178.3	-64.7	175.7	0	0	0	111	P266 A291 T382 L401 R402 R432	P266-L384 HydrophobicContact CG-CD1 3.96Å; A291-L384 HydrophobicContact CB-CB 4.04Å; T382-L384 PolarHBondContact O-N 3.13Å; L384-L401 HydrophobicContact CB-CD1 4.27Å; L384-R402 WeakPolarHBondContact CA-O 3.35Å; L384-R432 VanDerWaalsContact CD2-NH2 3.29Å
385	Q	95.5	Very high	93.1	Very high	17 Å²	17	28.3 Å²	28.3	8%	0.079	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	139.1	168.8	63.6	-174.7	11.2	0	0	109.3	A291 T365 K387 R402 I404	A291-Q385 WeakPolarHBondContact O-CA 3.14Å; T365-Q385 HydrophobicContact CG2-CB 4.14Å; Q385-K387 HydrophobicContact CG-CG 4.03Å; Q385-R402 PolarHBondContact N-O 2.7Å; Q385-R402 PolarHBondContact O-N 3.01Å; Q385-I404 HydrophobicContact CB-CG2 4.06Å; Q385-I404 HydrophobicContact CG-CG2 4.03Å
386	L	94.1	Very high	93.3	Very high	53 Å²	53	27.3 Å²	27.3	28%	0.277	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.5	167	-170.1	66.6	0	0	0	108.2	A291 D292 Q399 L401	A291-L386 PolarHBondContact O-N 3.43Å; D292-L386 HydrophobicContact CB-CB 3.9Å; D292-L386 HydrophobicContact CB-CD2 4.26Å; D292-L386 WeakPolarHBondContact OD2-CD2 3.48Å; L386-Q399 HydrophobicContact CD1-CB 4.18Å; L386-Q399 HydrophobicContact CD2-CG 4.26Å; L386-Q399 HydrophobicContact CG-CB 4.49Å; L386-Q399 HydrophobicContact CG-CG 4.5Å; L386-L401 HydrophobicContact CD1-CB 4.1Å
387	K	91.8	Very high	93.3	Very high	45 Å²	45	30.1 Å²	30.1	20%	0.196	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	143.4	174.5	-59.8	-163.2	89.2	-171.3	0	110.7	Q385 V389 Q399 V400 E447	Q385-K387 HydrophobicContact CG-CG 4.03Å; K387-V389 HydrophobicContact CB-CG2 4.23Å; K387-Q399 WeakPolarHBondContact O-CA 3.29Å; K387-V400 PolarHBondContact N-O 2.96Å; K387-V400 PolarHBondContact O-N 2.91Å; K387-E447 IonicContact NZ-OE2 3.01Å; K387-E447 PolarHBondContact NZ-OE2 2.72Å
388	T	91.7	Very high	93.3	Very high	75 Å²	75	29.7 Å²	29.7	46%	0.46	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.1	162.9	-56.4	0	0	0	0	108.1	N397 S398	T388-N397 HydrophobicContact CG2-CB 3.58Å; T388-S398 WeakPolarHBondContact CA-O 3.09Å
389	V	93.8	Very high	93.1	Very high	19 Å²	19	33.9 Å²	33.9	12%	0.115	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.9	-180	179.1	0	0	0	0	108.8	K387 N397 S398 E447	K387-V389 HydrophobicContact CB-CG2 4.23Å; V389-N397 CarbonylContact O-C 3.59Å; V389-S398 PolarHBondContact N-O 3.49Å; V389-S398 PolarHBondContact O-N 3.13Å; V389-E447 CarbonylContact C-O 3.55Å; V389-E447 WeakPolarHBondContact CA-O 3.36Å; V389-E447 HydrophobicContact CG1-CB 4.02Å; V389-E447 HydrophobicContact CG1-CG 4.26Å; V389-E447 HydrophobicContact CG2-CB 4.39Å
390	Y	94.2	Very high	92.9	Very high	19 Å²	19	36.2 Å²	36.2	8%	0.075	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.8	174.1	-175.8	-102.1	0	0	0	110.3	P392 R395 E447 N449	Y390-P392 HydrophobicContact CE1-CB 4.18Å; Y390-R395 WeakPolarHBondContact OH-CA 3.1Å; Y390-R395 WeakPolarHBondContact OH-CB 3.45Å; Y390-E447 PolarHBondContact N-O 3.18Å; Y390-N449 HydrophobicContact CD1-CB 4.15Å; Y390-N449 HydrophobicContact CD2-CB 3.76Å; Y390-N449 HydrophobicContact CE1-CB 4.34Å; Y390-N449 HydrophobicContact CE2-CB 3.94Å; Y390-N449 HydrophobicContact CG-CB 3.85Å
391	N	91.2	Very high	92.7	Very high	59 Å²	59	40.1 Å²	40.1	32%	0.316	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.1	174.7	177.5	-10	0	0	0	109.4	Q393 I394 R395 A396	N391-Q393 VanDerWaalsContact C-N 3.29Å; N391-Q393 PolarHBondContact O-N 2.88Å; N391-Q393 WeakPolarHBondContact OD1-CB 3.41Å; N391-Q393 PolarHBondContact OD1-N 3.14Å; N391-Q393 VanDerWaalsContact OD1-N 3.08Å; N391-I394 HydrophobicContact CB-CD1 3.98Å; N391-I394 HydrophobicContact CB-CG1 3.62Å; N391-I394 WeakPolarHBondContact O-CG1 3.37Å; N391-I394 PolarHBondContact O-N 2.89Å; N391-R395 WeakPolarHBondContact O-CA 3.29Å; N391-R395 PolarHBondContact O-N 2.94Å; N391-A396 PolarHBondContact N-O 3.36Å; N391-A396 PolarHBondContact O-N 3.47Å
392	P	90.4	Very high	92.5	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.104	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-62.7	-31.6	-175.9	22.7	-32.1	0	0	0	113.3	Y390 I394 R395 E477 Q481	Y390-P392 HydrophobicContact CE1-CB 4.18Å; P392-I394 VanDerWaalsContact C-N 3.27Å; P392-I394 PolarHBondContact O-N 3.18Å; P392-R395 WeakPolarHBondContact O-CG 3.33Å; P392-R395 PolarHBondContact O-N 2.98Å; P392-E477 HydrophobicContact CB-CG 4.44Å; P392-E477 HydrophobicContact CG-CG 4.26Å; P392-E477 WeakPolarHBondContact CG-OE1 3.41Å; P392-Q481 HydrophobicContact CB-CB 3.95Å; P392-Q481 HydrophobicContact CB-CG 3.94Å; P392-Q481 PolarHBondContact O-OE1 3.1Å
393	Q	85.6	Confident	92.4	Very high	127 Å²	127	46.3 Å²	46.3	59%	0.593	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-64.1	-32.2	178.8	-69	-66.9	-35.7	0	0	113.3	N391 E477 H660	N391-Q393 VanDerWaalsContact C-N 3.29Å; N391-Q393 PolarHBondContact O-N 2.88Å; N391-Q393 WeakPolarHBondContact OD1-CB 3.41Å; N391-Q393 PolarHBondContact OD1-N 3.14Å; N391-Q393 VanDerWaalsContact OD1-N 3.08Å; Q393-E477 VanDerWaalsContact CD-OE1 3.29Å; Q393-E477 VanDerWaalsContact CG-OE1 3.24Å; Q393-E477 WeakPolarHBondContact CG-OE1 3.42Å; Q393-E477 PolarHBondContact NE2-OE1 2.74Å; Q393-H660 PolarHBondContact O-CE1 2.68Å; Q393-H660 PolarHBondContact O-ND1 3.26Å; Q393-H660 VanDerWaalsContact O-ND1 3.1Å
394	I	85.3	Confident	92.4	Very high	27 Å²	27	46.3 Å²	46.3	14%	0.138	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-108.8	2.8	-178.9	66.9	168	0	0	0	112.6	N391 P392 A396 H660 H662 V699	N391-I394 HydrophobicContact CB-CD1 3.98Å; N391-I394 HydrophobicContact CB-CG1 3.62Å; N391-I394 WeakPolarHBondContact O-CG1 3.37Å; N391-I394 PolarHBondContact O-N 2.89Å; P392-I394 VanDerWaalsContact C-N 3.27Å; P392-I394 PolarHBondContact O-N 3.18Å; I394-A396 HydrophobicContact CD1-CB 4.06Å; I394-A396 HydrophobicContact CG1-CB 4.04Å; I394-A396 WeakPolarHBondContact O-CB 3.24Å; I394-A396 PolarHBondContact O-N 2.77Å; I394-H660 VanDerWaalsContact C-CE1 3.4Å; I394-H660 WeakPolarHBondContact CA-ND1 3.49Å; I394-H660 HydrophobicContact CB-CB 4.37Å; I394-H660 PolarHBondContact O-CD2 3.17Å; I394-H660 VanDerWaalsContact O-CG 3.3Å; I394-H660 PolarHBondContact O-NE2 3.32Å; I394-H660 VanDerWaalsContact O-NE2 3.16Å; I394-H662 WeakPolarHBondContact CG2-NE2 3.26Å; I394-V699 HydrophobicContact CD1-CG2 3.76Å
395	R	88.9	Confident	92.4	Very high	48 Å²	48	45.7 Å²	45.7	18%	0.181	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	37.7	42.8	-173.3	-53.1	173.6	-169.7	-161.8	2.5	114	Y390 N391 P392 Q481 E484 D485 H660	Y390-R395 WeakPolarHBondContact OH-CA 3.1Å; Y390-R395 WeakPolarHBondContact OH-CB 3.45Å; N391-R395 WeakPolarHBondContact O-CA 3.29Å; N391-R395 PolarHBondContact O-N 2.94Å; P392-R395 WeakPolarHBondContact O-CG 3.33Å; P392-R395 PolarHBondContact O-N 2.98Å; R395-Q481 HydrophobicContact CG-CG 4.12Å; R395-E484 IonicContact CZ-OE1 3.94Å; R395-E484 IonicContact CZ-OE2 3.36Å; R395-E484 IonicContact NH2-OE1 2.84Å; R395-E484 PolarHBondContact NH2-OE1 3.34Å; R395-E484 IonicContact NH2-OE2 3.71Å; R395-E484 PolarHBondContact NH2-OE2 3.22Å; R395-D485 IonicContact CZ-OD1 2.73Å; R395-D485 IonicContact NE-OD1 2.81Å; R395-D485 IonicContact NH1-OD1 3.63Å; R395-D485 PolarHBondContact NH1-OD1 2.85Å; R395-H660 VanDerWaalsContact CB-NE2 3.26Å; R395-H660 WeakPolarHBondContact CB-NE2 3.46Å; R395-H660 WeakPolarHBondContact CD-NE2 3.41Å; R395-H660 VanDerWaalsContact CG-CE1 3.47Å; R395-H660 WeakPolarHBondContact CG-CE1 3.39Å; R395-H660 WeakPolarHBondContact CG-NE2 3.17Å
396	A	90.8	Very high	92.4	Very high	9 Å²	9	48.5 Å²	48.5	7%	0.074	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152.5	-174.2	0	0	0	0	0	111.5	N391 I394 F697	N391-A396 PolarHBondContact N-O 3.36Å; N391-A396 PolarHBondContact O-N 3.47Å; I394-A396 HydrophobicContact CD1-CB 4.06Å; I394-A396 HydrophobicContact CG1-CB 4.04Å; I394-A396 WeakPolarHBondContact O-CB 3.24Å; I394-A396 PolarHBondContact O-N 2.77Å; A396-F697 HydrophobicContact CB-CD1 3.74Å; A396-F697 HydrophobicContact CB-CE1 4.1Å
397	N	92.9	Very high	92.3	Very high	62 Å²	62	46.4 Å²	46.4	33%	0.332	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	147	173.1	-73.6	-29	0	0	0	110.6	T388 V389 T698 V699	T388-N397 HydrophobicContact CG2-CB 3.58Å; V389-N397 CarbonylContact O-C 3.59Å; N397-T698 HydrophobicContact CB-CG2 4.21Å; N397-T698 CarbonylContact O-C 3.57Å; N397-T698 VanDerWaalsContact O-CA 3.31Å; N397-T698 WeakPolarHBondContact O-CA 3.2Å; N397-V699 PolarHBondContact O-N 3.33Å
398	S	92.8	Very high	92.5	Very high	21 Å²	21	44.3 Å²	44.3	15%	0.147	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.8	175.3	-61.8	0	0	0	0	109.8	T388 V389 V699	T388-S398 WeakPolarHBondContact CA-O 3.09Å; V389-S398 PolarHBondContact N-O 3.49Å; V389-S398 PolarHBondContact O-N 3.13Å; S398-V699 WeakPolarHBondContact CA-O 3.43Å
399	Q	93.1	Very high	92.6	Very high	92 Å²	92	40.8 Å²	40.8	43%	0.43	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.6	173.3	-84.2	175.3	-4.9	0	0	110.1	L386 K387 T698 V699	L386-Q399 HydrophobicContact CD1-CB 4.18Å; L386-Q399 HydrophobicContact CD2-CG 4.26Å; L386-Q399 HydrophobicContact CG-CB 4.49Å; L386-Q399 HydrophobicContact CG-CG 4.5Å; K387-Q399 WeakPolarHBondContact O-CA 3.29Å; Q399-T698 HydrophobicContact CB-CG2 4.37Å; Q399-T698 HydrophobicContact CG-CG2 3.74Å; Q399-V699 PolarHBondContact N-O 2.92Å
400	V	93	Very high	92.6	Very high	50 Å²	50	42.6 Å²	42.6	30%	0.303	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	114.2	-177.7	-168.5	0	0	0	0	109.7	K387 R402	K387-V400 PolarHBondContact N-O 2.96Å; K387-V400 PolarHBondContact O-N 2.91Å; V400-R402 HydrophobicContact CB-CG 4.42Å; V400-R402 HydrophobicContact CG1-CG 3.77Å; V400-R402 PolarHBondContact O-N 3.49Å
401	L	94.3	Very high	92.4	Very high	81 Å²	81	41.7 Å²	41.7	42%	0.424	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.3	171.4	-174.4	68.1	0	0	0	108.9	A291 L384 L386	A291-L401 HydrophobicContact CB-CD1 3.76Å; L384-L401 HydrophobicContact CB-CD1 4.27Å; L386-L401 HydrophobicContact CD1-CB 4.1Å
402	R	93.6	Very high	92.5	Very high	95 Å²	95	38.9 Å²	38.9	36%	0.358	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	161	-178.7	-62	-172.5	-179.3	172.8	4.2	111.1	L384 Q385 V400 E447	L384-R402 WeakPolarHBondContact CA-O 3.35Å; Q385-R402 PolarHBondContact N-O 2.7Å; Q385-R402 PolarHBondContact O-N 3.01Å; V400-R402 HydrophobicContact CB-CG 4.42Å; V400-R402 HydrophobicContact CG1-CG 3.77Å; V400-R402 PolarHBondContact O-N 3.49Å; R402-E447 IonicContact CZ-OE1 3.23Å; R402-E447 IonicContact NH1-OE1 2.75Å; R402-E447 PolarHBondContact NH1-OE1 2.92Å
403	S	95.4	Very high	92.7	Very high	39 Å²	39	38.8 Å²	38.8	27%	0.273	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	146.6	164.3	-49.6	0	0	0	0	109.7	G383 R432	G383-S403 WeakPolarHBondContact O-CA 3.42Å; S403-R432 PolarHBondContact OG-NE 3.01Å; S403-R432 PolarHBondContact OG-NH2 3.11Å
404	I	96.7	Very high	92.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-67.7	166.1	166.1	67.2	177.9	0	0	0	110.9	G383 Q385 Q408 A409 M437	G383-I404 PolarHBondContact O-N 2.83Å; Q385-I404 HydrophobicContact CB-CG2 4.06Å; Q385-I404 HydrophobicContact CG-CG2 4.03Å; I404-Q408 HydrophobicContact CB-CB 3.95Å; I404-Q408 HydrophobicContact CD1-CB 4.11Å; I404-Q408 HydrophobicContact CG1-CB 4.32Å; I404-A409 HydrophobicContact CD1-CB 3.88Å; I404-A409 HydrophobicContact CG1-CB 4.49Å; I404-M437 HydrophobicContact CG1-CE 4.47Å; I404-M437 HydrophobicContact CG1-SD 4.43Å; I404-M437 WeakPolarHBondContact O-CG 3.49Å
405	S	96.1	Very high	93.1	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.035	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-77.1	160.7	169.7	62.8	0	0	0	0	112.1	H407 Q408 A409 A438 A440	S405-H407 VanDerWaalsContact C-N 3.26Å; S405-H407 PolarHBondContact O-N 3.3Å; S405-Q408 WeakPolarHBondContact O-CB 3.37Å; S405-Q408 PolarHBondContact O-N 3.43Å; S405-Q408 VanDerWaalsContact O-N 3.13Å; S405-Q408 VanDerWaalsContact OG-CG 3.3Å; S405-Q408 WeakPolarHBondContact OG-CG 3.29Å; S405-Q408 PolarHBondContact OG-N 2.85Å; S405-Q408 PolarHBondContact OG-OE1 2.92Å; S405-A409 PolarHBondContact O-N 2.66Å; S405-A438 CarbonylContact C-O 3.01Å; S405-A438 VanDerWaalsContact CA-O 3.25Å; S405-A438 WeakPolarHBondContact CA-O 3.32Å; S405-A438 WeakPolarHBondContact CB-O 3.44Å; S405-A440 VanDerWaalsContact CB-C 3.46Å
406	R	95.3	Very high	93.2	Very high	76 Å²	76	32.2 Å²	32.2	29%	0.287	16%	0.161	S	C	.	.	H	α-helix	trans	-57.5	-42.8	173	-66.4	-171.5	-63.9	-177.5	2.1	111.2	Q408 A409 D410 Y433 M437 A438	R406-Q408 VanDerWaalsContact C-N 3.31Å; R406-Q408 PolarHBondContact O-N 3.47Å; R406-A409 WeakPolarHBondContact O-CB 3.49Å; R406-A409 PolarHBondContact O-N 3.46Å; R406-A409 VanDerWaalsContact O-N 3.12Å; R406-D410 PolarHBondContact O-N 3.33Å; R406-Y433 HydrophobicContact CB-CD2 4.46Å; R406-Y433 HydrophobicContact CB-CE2 3.74Å; R406-Y433 WeakPolarHBondContact CD-O 3.48Å; R406-Y433 HydrophobicContact CG-CD2 4.05Å; R406-Y433 HydrophobicContact CG-CE2 3.76Å; R406-Y433 VanDerWaalsContact CG-O 3.24Å; R406-Y433 WeakPolarHBondContact CG-O 3.42Å; R406-M437 HydrophobicContact CG-CB 3.9Å; R406-A438 PolarHBondContact N-O 3.22Å
407	H	91.8	Very high	93	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.037	17%	0.174	C	C	.	.	H	α-helix	trans	-55.6	-43.7	174.9	178.7	41.1	0	0	0	112.6	H222 T224 S405 D410 M411 E439 A440	H222-H407 AromaticContact CD2-CE1 3.62Å; H222-H407 AromaticContact CE1-CE1 3.49Å; H222-H407 PolarHBondContact CE1-CE1 3.41Å; H222-H407 VanDerWaalsContact CE1-CE1 3.49Å; H222-H407 AromaticContact CE1-ND1 3.71Å; H222-H407 AromaticContact CG-CE1 3.2Å; H222-H407 AromaticContact CG-NE2 3.9Å; H222-H407 AromaticContact ND1-CE1 3.09Å; H222-H407 PolarHBondContact ND1-CE1 3.11Å; H222-H407 AromaticContact ND1-ND1 3.57Å; H222-H407 AromaticContact ND1-NE2 4Å; H222-H407 AromaticContact NE2-CE1 3.81Å; T224-H407 PolarHBondContact OG1-CE1 3.05Å; T224-H407 PolarHBondContact OG1-ND1 3.03Å; S405-H407 VanDerWaalsContact C-N 3.26Å; S405-H407 PolarHBondContact O-N 3.3Å; H407-D410 PolarHBondContact O-N 2.87Å; H407-M411 VanDerWaalsContact O-CG 3.23Å; H407-M411 WeakPolarHBondContact O-CG 3.48Å; H407-M411 PolarHBondContact O-N 3.11Å; H407-E439 VanDerWaalsContact CB-O 3.32Å; H407-E439 WeakPolarHBondContact CB-O 3.29Å; H407-E439 PolarHBondContact N-O 3Å; H407-A440 HydrophobicContact CB-CB 4.44Å
408	Q	94.9	Very high	92.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-43.8	175.1	-72.3	176.1	-88.6	0	0	112.4	E368 I404 S405 R406 D410 M411 R412 R441	E368-Q408 VanDerWaalsContact OE2-CG 3.29Å; E368-Q408 WeakPolarHBondContact OE2-CG 3.42Å; E368-Q408 PolarHBondContact OE2-NE2 2.88Å; I404-Q408 HydrophobicContact CB-CB 3.95Å; I404-Q408 HydrophobicContact CD1-CB 4.11Å; I404-Q408 HydrophobicContact CG1-CB 4.32Å; S405-Q408 WeakPolarHBondContact O-CB 3.37Å; S405-Q408 PolarHBondContact O-N 3.43Å; S405-Q408 VanDerWaalsContact O-N 3.13Å; S405-Q408 VanDerWaalsContact OG-CG 3.3Å; S405-Q408 WeakPolarHBondContact OG-CG 3.29Å; S405-Q408 PolarHBondContact OG-N 2.85Å; S405-Q408 PolarHBondContact OG-OE1 2.92Å; R406-Q408 VanDerWaalsContact C-N 3.31Å; R406-Q408 PolarHBondContact O-N 3.47Å; Q408-D410 PolarHBondContact O-N 2.82Å; Q408-M411 WeakPolarHBondContact O-CB 3.37Å; Q408-M411 PolarHBondContact O-N 3.17Å; Q408-R412 VanDerWaalsContact O-CG 3.3Å; Q408-R412 WeakPolarHBondContact O-CG 3.42Å; Q408-R412 PolarHBondContact O-N 3.27Å; Q408-R441 HydrophobicContact CG-CG 3.79Å; Q408-R441 VanDerWaalsContact NE2-NE 3.14Å
409	A	95.6	Very high	92.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.2	-38.9	176.6	0	0	0	0	0	111.5	I404 S405 R406 R412 T413 R426 Y428 Y433	I404-A409 HydrophobicContact CD1-CB 3.88Å; I404-A409 HydrophobicContact CG1-CB 4.49Å; S405-A409 PolarHBondContact O-N 2.66Å; R406-A409 WeakPolarHBondContact O-CB 3.49Å; R406-A409 PolarHBondContact O-N 3.46Å; R406-A409 VanDerWaalsContact O-N 3.12Å; A409-R412 PolarHBondContact O-N 3.47Å; A409-T413 PolarHBondContact O-N 2.83Å; A409-T413 PolarHBondContact O-OG1 3.18Å; A409-R426 PolarHBondContact O-NH2 2.86Å; A409-R426 VanDerWaalsContact O-NH2 3.1Å; A409-Y428 WeakPolarHBondContact CB-OH 3.47Å; A409-Y433 HydrophobicContact CB-CD2 4.23Å; A409-Y433 HydrophobicContact CB-CE2 4.01Å
410	D	92.5	Very high	91.7	Very high	57 Å²	57	41.6 Å²	41.6	31%	0.305	20%	0.196	S	C	.	.	H	α-helix	trans	-70.8	-40.5	176.9	-65.2	-22.4	0	0	0	111.9	R406 H407 Q408 R412 T413 Q414 R426 Y433	R406-D410 PolarHBondContact O-N 3.33Å; H407-D410 PolarHBondContact O-N 2.87Å; Q408-D410 PolarHBondContact O-N 2.82Å; D410-R412 VanDerWaalsContact C-N 3.32Å; D410-R412 PolarHBondContact O-N 3.19Å; D410-T413 CarbonylContact O-C 3.55Å; D410-T413 WeakPolarHBondContact O-CB 3.37Å; D410-T413 PolarHBondContact O-N 2.98Å; D410-T413 VanDerWaalsContact O-N 3.15Å; D410-Q414 VanDerWaalsContact O-CG 3.31Å; D410-Q414 WeakPolarHBondContact O-CG 3.4Å; D410-Q414 PolarHBondContact O-N 3.03Å; D410-R426 IonicContact OD1-CZ 3.72Å; D410-R426 IonicContact OD1-NH1 3.74Å; D410-R426 IonicContact OD1-NH2 2.77Å; D410-R426 PolarHBondContact OD1-NH2 3.13Å; D410-Y433 PolarHBondContact OD1-OH 3.47Å; D410-Y433 PolarHBondContact OD2-OH 3.28Å; D410-Y433 VanDerWaalsContact OD2-OH 3.13Å
411	M	90.1	Very high	91.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.8	-42.4	172.1	-72.1	-77.5	-70.7	0	0	111.9	S90 H407 Q408 Q414 R415	S90-M411 WeakPolarHBondContact OG-CE 3.43Å; S90-M411 PolarHBondContact OG-SD 3.44Å; H407-M411 VanDerWaalsContact O-CG 3.23Å; H407-M411 WeakPolarHBondContact O-CG 3.48Å; H407-M411 PolarHBondContact O-N 3.11Å; Q408-M411 WeakPolarHBondContact O-CB 3.37Å; Q408-M411 PolarHBondContact O-N 3.17Å; M411-Q414 WeakPolarHBondContact O-CB 3.26Å; M411-Q414 PolarHBondContact O-N 2.96Å; M411-R415 PolarHBondContact O-N 3.33Å
412	R	94.5	Very high	91.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-42.8	173.9	-67.9	176.3	-177.3	-161.2	-6.2	111	F289 E368 D381 Q408 A409 D410 Q414 R415	F289-R412 HydrophobicContact CD1-CG 3.97Å; F289-R412 HydrophobicContact CD2-CB 3.93Å; F289-R412 HydrophobicContact CD2-CG 3.76Å; F289-R412 HydrophobicContact CE1-CG 3.93Å; F289-R412 HydrophobicContact CE2-CB 3.76Å; F289-R412 HydrophobicContact CE2-CG 3.72Å; F289-R412 HydrophobicContact CG-CG 3.89Å; F289-R412 HydrophobicContact CZ-CB 4.23Å; F289-R412 HydrophobicContact CZ-CG 3.8Å; E368-R412 HydrophobicContact CG-CG 4.08Å; E368-R412 IonicContact OE1-CZ 2.78Å; E368-R412 IonicContact OE1-NE 2.62Å; E368-R412 PolarHBondContact OE1-NE 2.92Å; E368-R412 IonicContact OE1-NH2 2.62Å; E368-R412 PolarHBondContact OE1-NH2 2.94Å; D381-R412 WeakPolarHBondContact OD1-CD 3.39Å; D381-R412 IonicContact OD1-CZ 3.2Å; D381-R412 IonicContact OD1-NE 3.89Å; D381-R412 IonicContact OD1-NH1 3.49Å; D381-R412 PolarHBondContact OD1-NH1 3.33Å; Q408-R412 VanDerWaalsContact O-CG 3.3Å; Q408-R412 WeakPolarHBondContact O-CG 3.42Å; Q408-R412 PolarHBondContact O-N 3.27Å; A409-R412 PolarHBondContact O-N 3.47Å; D410-R412 VanDerWaalsContact C-N 3.32Å; D410-R412 PolarHBondContact O-N 3.19Å; R412-Q414 VanDerWaalsContact C-N 3.28Å; R412-Q414 PolarHBondContact O-N 3.26Å; R412-R415 VanDerWaalsContact O-CB 3.32Å; R412-R415 WeakPolarHBondContact O-CB 3.47Å; R412-R415 PolarHBondContact O-N 2.83Å
413	T	93.3	Very high	91.5	Very high	14 Å²	14	35.6 Å²	35.6	9%	0.086	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-35.8	173.3	-58.8	0	0	0	0	112.3	V253 V255 A409 D410 R415 V416 C424 R426	V253-T413 HydrophobicContact CB-CG2 4.45Å; V253-T413 HydrophobicContact CG1-CG2 3.81Å; V255-T413 HydrophobicContact CG2-CG2 3.86Å; A409-T413 PolarHBondContact O-N 2.83Å; A409-T413 PolarHBondContact O-OG1 3.18Å; D410-T413 CarbonylContact O-C 3.55Å; D410-T413 WeakPolarHBondContact O-CB 3.37Å; D410-T413 PolarHBondContact O-N 2.98Å; D410-T413 VanDerWaalsContact O-N 3.15Å; T413-R415 PolarHBondContact O-N 3.49Å; T413-V416 PolarHBondContact O-N 2.97Å; T413-C424 HydrophobicContact CG2-CB 3.88Å; T413-C424 PolarHBondContact OG1-SG 3.37Å; T413-R426 PolarHBondContact OG1-NH2 2.84Å
414	Q	88.4	Confident	91.6	Very high	33 Å²	33	33.8 Å²	33.8	15%	0.154	16%	0.162	C	C	.	.	H	α-helix	trans	-69.2	-13	178.3	-71.9	172.6	12.2	0	0	113.7	S90 R247 D410 M411 R412 V416	S90-Q414 VanDerWaalsContact CB-OE1 3.31Å; S90-Q414 VanDerWaalsContact N-OE1 3.08Å; R247-Q414 PolarHBondContact NH2-O 3.3Å; D410-Q414 VanDerWaalsContact O-CG 3.31Å; D410-Q414 WeakPolarHBondContact O-CG 3.4Å; D410-Q414 PolarHBondContact O-N 3.03Å; M411-Q414 WeakPolarHBondContact O-CB 3.26Å; M411-Q414 PolarHBondContact O-N 2.96Å; R412-Q414 VanDerWaalsContact C-N 3.28Å; R412-Q414 PolarHBondContact O-N 3.26Å; Q414-V416 PolarHBondContact O-N 3.21Å
415	R	90.8	Very high	91.7	Very high	28 Å²	28	34.3 Å²	34.3	11%	0.106	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18	173.3	-63.7	-73.3	158	-176.1	-2.1	113.5	M287 F289 G367 E368 A369 F371 V376 V379 M411 R412 T413 N417	M287-R415 HydrophobicContact SD-CB 3.93Å; M287-R415 HydrophobicContact SD-CG 3.97Å; F289-R415 HydrophobicContact CE2-CG 4.39Å; F289-R415 HydrophobicContact CZ-CG 4.09Å; G367-R415 PolarHBondContact O-NE 3.46Å; E368-R415 PolarHBondContact O-NH2 2.85Å; A369-R415 PolarHBondContact O-NH1 3.47Å; A369-R415 PolarHBondContact O-NH2 3.08Å; F371-R415 PolarHBondContact O-NH1 3.47Å; V376-R415 WeakPolarHBondContact CB-O 3.47Å; V379-R415 HydrophobicContact CG2-CB 4.16Å; M411-R415 PolarHBondContact O-N 3.33Å; R412-R415 VanDerWaalsContact O-CB 3.32Å; R412-R415 WeakPolarHBondContact O-CB 3.47Å; R412-R415 PolarHBondContact O-N 2.83Å; T413-R415 PolarHBondContact O-N 3.49Å; R415-N417 PolarHBondContact O-N 3.05Å
416	V	91	Very high	91.8	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.024	16%	0.164	C	C	.	.			trans	-66.2	113.3	169.4	178.5	0	0	0	0	109.2	R247 V253 V376 V379 T413 Q414	R247-V416 PolarHBondContact NH2-O 2.8Å; V253-V416 HydrophobicContact CG1-CB 4.27Å; V253-V416 HydrophobicContact CG1-CG1 4.41Å; V253-V416 HydrophobicContact CG1-CG2 4.01Å; V253-V416 HydrophobicContact CG2-CB 3.8Å; V253-V416 HydrophobicContact CG2-CG1 3.65Å; V253-V416 HydrophobicContact CG2-CG2 4.45Å; V376-V416 CarbonylContact O-C 3.44Å; V376-V416 WeakPolarHBondContact O-CA 3.49Å; V379-V416 HydrophobicContact CB-CG2 4.25Å; V379-V416 HydrophobicContact CG2-CG2 3.6Å; T413-V416 PolarHBondContact O-N 2.97Å; Q414-V416 PolarHBondContact O-N 3.21Å
417	N	86.8	Confident	91.8	Very high	65 Å²	65	30.9 Å²	30.9	35%	0.348	15%	0.152	S	C	.	.			trans	-136.2	25.6	-176.7	65	17	0	0	0	113.2	L373 G375 V376 R415	L373-N417 PolarHBondContact O-ND2 2.95Å; G375-N417 PolarHBondContact N-OD1 2.61Å; V376-N417 PolarHBondContact N-OD1 3.38Å; V376-N417 PolarHBondContact O-N 2.94Å; R415-N417 PolarHBondContact O-N 3.05Å
418	S	84.6	Confident	92	Very high	15 Å²	15	30.7 Å²	30.7	11%	0.105	15%	0.151	C	C	.	.			trans	-73.7	150.5	172.1	-172.5	0	0	0	0	112.1	H251 V376 L420	H251-S418 PolarHBondContact CD2-O 2.84Å; H251-S418 VanDerWaalsContact CD2-O 3.22Å; V376-S418 PolarHBondContact O-N 3.16Å; V376-S418 VanDerWaalsContact O-N 3.17Å; S418-L420 PolarHBondContact O-N 3Å; S418-L420 PolarHBondContact OG-N 3.36Å
419	R	81.6	Confident	92.1	Very high	225 Å²	225	31.8 Å²	31.8	85%	0.849	16%	0.159	S	C	*	.	S	Bend	trans	-69.2	-18.5	169	-62.7	-177.7	-178.1	178.1	1.3	112.8
420	L	86	Confident	92.1	Very high	76 Å²	76	36.6 Å²	36.6	40%	0.398	18%	0.181	S	C	.	.	S	Bend	trans	-92.8	155.2	176.8	-62.2	175.7	0	0	0	110.4	S418 G422	S418-L420 PolarHBondContact O-N 3Å; S418-L420 PolarHBondContact OG-N 3.36Å; L420-G422 PolarHBondContact O-N 3.47Å
421	P	89.3	Confident	92.3	Very high	83 Å²	83	36.6 Å²	36.6	54%	0.539	19%	0.19	S	C	.	.			trans	-52.3	126.3	170.6	-25.4	34.4	0	0	0	110.9	R377	R377-P421 PolarHBondContact NE-O 3.3Å; R377-P421 PolarHBondContact NH2-O 3.25Å
422	G	92.6	Very high	92.5	Very high	7 Å²	7	40.7 Å²	40.7	7%	0.072	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	172.7	-175.1	0	0	0	0	0	112.7	Q252 V253 E254 R377 L420	Q252-G422 PolarHBondContact O-N 2.88Å; Q252-G422 VanDerWaalsContact O-N 3.13Å; V253-G422 WeakPolarHBondContact CA-O 3.28Å; E254-G422 PolarHBondContact N-O 2.84Å; R377-G422 WeakPolarHBondContact O-CA 3.35Å; L420-G422 PolarHBondContact O-N 3.47Å
423	L	95.4	Very high	92.6	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.052	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	127.4	-173.5	170.8	62.4	0	0	0	110.9	E254 M256 L277 R377 Y378 V379 L425	E254-L423 HydrophobicContact CB-CD1 4.14Å; E254-L423 HydrophobicContact CG-CD1 4.35Å; E254-L423 WeakPolarHBondContact O-CA 3.39Å; E254-L423 WeakPolarHBondContact O-CD1 3.24Å; M256-L423 HydrophobicContact CB-CD1 4.27Å; M256-L423 HydrophobicContact CE-CD1 3.28Å; M256-L423 HydrophobicContact CE-CD2 3.49Å; M256-L423 VanDerWaalsContact CE-CD2 3.49Å; M256-L423 HydrophobicContact CE-CG 4.01Å; M256-L423 HydrophobicContact CG-CD1 3.94Å; M256-L423 HydrophobicContact SD-CD1 4.45Å; L277-L423 HydrophobicContact CD2-CD2 4.09Å; R377-L423 PolarHBondContact O-N 2.92Å; Y378-L423 CarbonylContact C-O 3.49Å; Y378-L423 VanDerWaalsContact CA-O 3.3Å; Y378-L423 WeakPolarHBondContact CA-O 3.36Å; Y378-L423 HydrophobicContact CD1-CB 3.93Å; Y378-L423 HydrophobicContact CD1-CD2 4.31Å; Y378-L423 HydrophobicContact CE1-CB 4.33Å; V379-L423 PolarHBondContact N-O 2.95Å; L423-L425 HydrophobicContact CD1-CD2 4.01Å; L423-L425 HydrophobicContact CD1-CG 4.48Å; L423-L425 HydrophobicContact CD2-CD1 4.44Å; L423-L425 HydrophobicContact CD2-CD2 3.85Å; L423-L425 HydrophobicContact CD2-CG 4.01Å; L423-L425 HydrophobicContact CG-CD2 4Å; L423-L425 HydrophobicContact CG-CG 4.03Å
424	C	97.3	Very high	92.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113.2	167.9	-175.5	0	0	0	0	109.6	V253 E254 V255 M256 V379 T413	V253-C424 HydrophobicContact CG1-CB 4.1Å; E254-C424 PolarHBondContact O-N 3.4Å; V255-C424 WeakPolarHBondContact CA-O 3.48Å; V255-C424 HydrophobicContact CG2-CB 4.35Å; M256-C424 PolarHBondContact N-O 2.99Å; V379-C424 HydrophobicContact CB-CB 4.36Å; V379-C424 CarbonylContact O-C 3.57Å; V379-C424 WeakPolarHBondContact O-CA 3.24Å; T413-C424 HydrophobicContact CG2-CB 3.88Å; T413-C424 PolarHBondContact OG1-SG 3.37Å
425	L	97.8	Very high	92.9	Very high	13 Å²	13	50 Å²	50	7%	0.068	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	104.6	174.6	-66.9	179.7	0	0	0	109.4	M256 M273 L277 V379 V380 D381 L423	M256-L425 HydrophobicContact CB-CD2 3.9Å; M256-L425 HydrophobicContact CE-CD2 4Å; M273-L425 HydrophobicContact CB-CD1 4.17Å; M273-L425 HydrophobicContact CG-CD1 4.31Å; M273-L425 HydrophobicContact SD-CD1 4.41Å; L277-L425 HydrophobicContact CD1-CD1 3.88Å; L277-L425 HydrophobicContact CD2-CD1 4.38Å; L277-L425 HydrophobicContact CG-CD1 4.24Å; V379-L425 PolarHBondContact O-N 3.22Å; V380-L425 HydrophobicContact CG2-CD1 4.4Å; D381-L425 PolarHBondContact N-O 3.21Å; L423-L425 HydrophobicContact CD1-CD2 4.01Å; L423-L425 HydrophobicContact CD1-CG 4.48Å; L423-L425 HydrophobicContact CD2-CD1 4.44Å; L423-L425 HydrophobicContact CD2-CD2 3.85Å; L423-L425 HydrophobicContact CD2-CG 4.01Å; L423-L425 HydrophobicContact CG-CD2 4Å; L423-L425 HydrophobicContact CG-CG 4.03Å
426	R	97.8	Very high	93	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.015	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.3	173.5	-69.5	-179.6	175.5	-178.5	-4.6	109.1	V255 M256 Y257 R258 A409 D410 T413 Y428 Y433	V255-R426 HydrophobicContact CG1-CG 4.19Å; M256-R426 PolarHBondContact O-N 3.09Å; Y257-R426 WeakPolarHBondContact CA-O 3.5Å; Y257-R426 HydrophobicContact CD1-CB 3.88Å; Y257-R426 HydrophobicContact CE1-CB 4.15Å; Y257-R426 VanDerWaalsContact CE1-CD 3.42Å; Y257-R426 HydrophobicContact CE1-CG 4.38Å; Y257-R426 PolarHBondContact OH-NH1 3.14Å; R258-R426 PolarHBondContact N-O 2.91Å; A409-R426 PolarHBondContact O-NH2 2.86Å; A409-R426 VanDerWaalsContact O-NH2 3.1Å; D410-R426 IonicContact OD1-CZ 3.72Å; D410-R426 IonicContact OD1-NH1 3.74Å; D410-R426 IonicContact OD1-NH2 2.77Å; D410-R426 PolarHBondContact OD1-NH2 3.13Å; T413-R426 PolarHBondContact OG1-NH2 2.84Å; R426-Y428 HydrophobicContact CB-CD1 4.27Å; R426-Y428 HydrophobicContact CB-CD2 4.23Å; R426-Y428 HydrophobicContact CB-CE1 3.79Å; R426-Y428 HydrophobicContact CB-CE2 3.78Å; R426-Y428 HydrophobicContact CB-CG 4.47Å; R426-Y428 VanDerWaalsContact CD-OH 3.29Å; R426-Y428 WeakPolarHBondContact CD-OH 3.32Å; R426-Y428 HydrophobicContact CG-CE1 4.18Å; R426-Y428 HydrophobicContact CG-CE2 4.08Å; R426-Y428 WeakPolarHBondContact CG-OH 3.26Å; R426-Y428 PolarHBondContact O-N 3.27Å; R426-Y433 VanDerWaalsContact NH1-CD2 3.33Å; R426-Y433 VanDerWaalsContact NH1-CZ 3.34Å
427	L	96.7	Very high	93.2	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	28%	0.278	C	S	.	.	S	Bend	trans	-81.7	42.8	-177.2	-56.4	-175.8	0	0	0	112.6	R258 L260 A269 A270 M273 V380 D381 T382	R258-L427 HydrophobicContact CB-CD2 4.44Å; R258-L427 CarbonylContact O-C 3.27Å; R258-L427 VanDerWaalsContact O-CA 3.26Å; R258-L427 WeakPolarHBondContact O-CA 3.38Å; L260-L427 HydrophobicContact CD2-CB 4.27Å; L260-L427 HydrophobicContact CG-CB 4.39Å; A269-L427 HydrophobicContact CB-CD1 4.31Å; A270-L427 HydrophobicContact CB-CD1 4.12Å; M273-L427 HydrophobicContact CG-CD2 3.93Å; V380-L427 HydrophobicContact CG1-CD1 3.82Å; V380-L427 HydrophobicContact CG1-CG 4.16Å; D381-L427 PolarHBondContact O-N 3.27Å; T382-L427 HydrophobicContact CG2-CD1 4.27Å
428	Y	95.8	Very high	93.6	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.016	29%	0.287	C	S	.	.	S	Bend	trans	-151.7	161.8	178.2	43.2	-88.3	0	0	0	109.5	Y257 R258 D381 A409 R426 Y433 M437	Y257-Y428 WeakPolarHBondContact CB-O 3.07Å; Y257-Y428 HydrophobicContact CD1-CD2 4.41Å; Y257-Y428 HydrophobicContact CD1-CE2 4.49Å; Y257-Y428 HydrophobicContact CE1-CE2 4.28Å; R258-Y428 PolarHBondContact N-O 3.02Å; R258-Y428 PolarHBondContact O-N 3.1Å; R258-Y428 VanDerWaalsContact O-N 3.09Å; D381-Y428 HydrophobicContact CB-CE1 4.48Å; D381-Y428 WeakPolarHBondContact O-CE1 3.29Å; D381-Y428 WeakPolarHBondContact OD2-CE1 3.08Å; D381-Y428 PolarHBondContact OD2-OH 3.09Å; A409-Y428 WeakPolarHBondContact CB-OH 3.47Å; R426-Y428 HydrophobicContact CB-CD1 4.27Å; R426-Y428 HydrophobicContact CB-CD2 4.23Å; R426-Y428 HydrophobicContact CB-CE1 3.79Å; R426-Y428 HydrophobicContact CB-CE2 3.78Å; R426-Y428 HydrophobicContact CB-CG 4.47Å; R426-Y428 VanDerWaalsContact CD-OH 3.29Å; R426-Y428 WeakPolarHBondContact CD-OH 3.32Å; R426-Y428 HydrophobicContact CG-CE1 4.18Å; R426-Y428 HydrophobicContact CG-CE2 4.08Å; R426-Y428 WeakPolarHBondContact CG-OH 3.26Å; R426-Y428 PolarHBondContact O-N 3.27Å; Y428-Y433 HydrophobicContact CE2-CD2 4.42Å; Y428-M437 HydrophobicContact CD1-CE 4.25Å; Y428-M437 HydrophobicContact CD2-CE 3.6Å; Y428-M437 HydrophobicContact CE1-CE 4.19Å; Y428-M437 HydrophobicContact CE2-CE 3.49Å; Y428-M437 VanDerWaalsContact CE2-CE 3.49Å; Y428-M437 HydrophobicContact CE2-SD 4.15Å; Y428-M437 HydrophobicContact CG-CE 3.97Å
429	S	95.5	Very high	94	Very high	26 Å²	26	57.2 Å²	57.2	18%	0.182	31%	0.313	C	S	.	.			trans	-72	152.4	179.8	64.3	0	0	0	0	112	A431 R432 Y433	S429-A431 PolarHBondContact O-N 3.18Å; S429-R432 WeakPolarHBondContact O-CB 3.26Å; S429-R432 PolarHBondContact O-N 3.41Å; S429-R432 VanDerWaalsContact O-N 3.12Å; S429-R432 PolarHBondContact OG-N 3.27Å; S429-Y433 PolarHBondContact O-N 3.44Å
430	Q	96.4	Very high	94.4	Very high	100 Å²	100	48.7 Å²	48.7	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-59.4	-37.3	173.4	-176	174.6	-4.9	0	0	111.6	Y257 R432 Y433 E434	Y257-Q430 HydrophobicContact CD1-CB 4.14Å; Y257-Q430 HydrophobicContact CD2-CB 3.84Å; Y257-Q430 HydrophobicContact CD2-CG 4.18Å; Y257-Q430 HydrophobicContact CE1-CB 4.4Å; Y257-Q430 HydrophobicContact CE2-CB 4.14Å; Y257-Q430 HydrophobicContact CE2-CG 3.99Å; Y257-Q430 HydrophobicContact CG-CB 3.84Å; Q430-R432 VanDerWaalsContact C-N 3.3Å; Q430-R432 PolarHBondContact O-N 3.03Å; Q430-Y433 WeakPolarHBondContact O-CB 3.44Å; Q430-Y433 PolarHBondContact O-N 2.87Å; Q430-Y433 VanDerWaalsContact O-N 3.11Å; Q430-E434 HydrophobicContact CG-CG 4.28Å; Q430-E434 WeakPolarHBondContact CG-OE1 3.37Å; Q430-E434 PolarHBondContact NE2-OE1 2.86Å; Q430-E434 WeakPolarHBondContact O-CG 3.22Å; Q430-E434 PolarHBondContact O-N 3.43Å
431	A	95.8	Very high	94.6	Very high	58 Å²	58	46.5 Å²	46.5	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-39.6	175.3	0	0	0	0	0	112.4	S429 E434 S435	S429-A431 PolarHBondContact O-N 3.18Å; A431-E434 PolarHBondContact O-N 3.34Å; A431-S435 PolarHBondContact O-N 2.92Å; A431-S435 PolarHBondContact O-OG 3.29Å
432	R	94.6	Very high	94.7	Very high	85 Å²	85	44.3 Å²	44.3	32%	0.321	27%	0.269	S	S	.	.	H	α-helix	trans	-64.3	-40.9	174.6	-174.5	176.8	179.6	-177.3	-1.5	111.3	L384 S403 S429 Q430 G436 M437	L384-R432 VanDerWaalsContact CD2-NH2 3.29Å; S403-R432 PolarHBondContact OG-NE 3.01Å; S403-R432 PolarHBondContact OG-NH2 3.11Å; S429-R432 WeakPolarHBondContact O-CB 3.26Å; S429-R432 PolarHBondContact O-N 3.41Å; S429-R432 VanDerWaalsContact O-N 3.12Å; S429-R432 PolarHBondContact OG-N 3.27Å; Q430-R432 VanDerWaalsContact C-N 3.3Å; Q430-R432 PolarHBondContact O-N 3.03Å; R432-G436 CarbonylContact O-C 3.45Å; R432-G436 VanDerWaalsContact O-C 3.27Å; R432-G436 WeakPolarHBondContact O-CA 3.46Å; R432-G436 PolarHBondContact O-N 3.03Å; R432-M437 HydrophobicContact CG-CE 4.34Å; R432-M437 WeakPolarHBondContact O-CG 3.41Å; R432-M437 PolarHBondContact O-N 3.44Å; R432-M437 VanDerWaalsContact O-N 3.09Å
433	Y	96.4	Very high	94.7	Very high	34 Å²	34	44.7 Å²	44.7	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-50.3	174.8	172.7	-101.9	0	0	0	111.8	Y257 R406 A409 D410 R426 Y428 S429 Q430 M437	Y257-Y433 HydrophobicContact CE1-CD1 4.41Å; Y257-Y433 HydrophobicContact CE1-CG 4.06Å; Y257-Y433 WeakPolarHBondContact OH-CD1 3.46Å; R406-Y433 HydrophobicContact CB-CD2 4.46Å; R406-Y433 HydrophobicContact CB-CE2 3.74Å; R406-Y433 WeakPolarHBondContact CD-O 3.48Å; R406-Y433 HydrophobicContact CG-CD2 4.05Å; R406-Y433 HydrophobicContact CG-CE2 3.76Å; R406-Y433 VanDerWaalsContact CG-O 3.24Å; R406-Y433 WeakPolarHBondContact CG-O 3.42Å; A409-Y433 HydrophobicContact CB-CD2 4.23Å; A409-Y433 HydrophobicContact CB-CE2 4.01Å; D410-Y433 PolarHBondContact OD1-OH 3.47Å; D410-Y433 PolarHBondContact OD2-OH 3.28Å; D410-Y433 VanDerWaalsContact OD2-OH 3.13Å; R426-Y433 VanDerWaalsContact NH1-CD2 3.33Å; R426-Y433 VanDerWaalsContact NH1-CZ 3.34Å; Y428-Y433 HydrophobicContact CE2-CD2 4.42Å; S429-Y433 PolarHBondContact O-N 3.44Å; Q430-Y433 WeakPolarHBondContact O-CB 3.44Å; Q430-Y433 PolarHBondContact O-N 2.87Å; Q430-Y433 VanDerWaalsContact O-N 3.11Å; Y433-M437 HydrophobicContact CD2-SD 4.18Å
434	E	95.3	Very high	94.6	Very high	105 Å²	105	47.1 Å²	47.1	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-72.2	-37.5	-172.2	-69.7	173.7	175.7	0	0	113.6	Q430 A431	Q430-E434 HydrophobicContact CG-CG 4.28Å; Q430-E434 WeakPolarHBondContact CG-OE1 3.37Å; Q430-E434 PolarHBondContact NE2-OE1 2.86Å; Q430-E434 WeakPolarHBondContact O-CG 3.22Å; Q430-E434 PolarHBondContact O-N 3.43Å; A431-E434 PolarHBondContact O-N 3.34Å
435	S	92.8	Very high	94.4	Very high	104 Å²	104	47.1 Å²	47.1	73%	0.727	28%	0.279	S	S	*	.	H	α-helix	trans	-124.1	-20.5	-170.5	67.4	0	0	0	0	115.1	A431	A431-S435 PolarHBondContact O-N 2.92Å; A431-S435 PolarHBondContact O-OG 3.29Å
436	G	93.1	Very high	94.1	Very high	47 Å²	47	49.7 Å²	49.7	49%	0.485	30%	0.295	S	S	.	.	S	Bend	trans	-99.2	-5.4	-176.2	0	0	0	0	0	114.9	R432	R432-G436 CarbonylContact O-C 3.45Å; R432-G436 VanDerWaalsContact O-C 3.27Å; R432-G436 WeakPolarHBondContact O-CA 3.46Å; R432-G436 PolarHBondContact O-N 3.03Å
437	M	96.3	Very high	93.8	Very high	14 Å²	14	50.9 Å²	50.9	7%	0.069	30%	0.301	C	S	.	.	S	Bend	trans	-114.5	140.6	179.2	-68.9	-179.6	178	0	0	110.5	I404 R406 Y428 R432 Y433	I404-M437 HydrophobicContact CG1-CE 4.47Å; I404-M437 HydrophobicContact CG1-SD 4.43Å; I404-M437 WeakPolarHBondContact O-CG 3.49Å; R406-M437 HydrophobicContact CG-CB 3.9Å; Y428-M437 HydrophobicContact CD1-CE 4.25Å; Y428-M437 HydrophobicContact CD2-CE 3.6Å; Y428-M437 HydrophobicContact CE1-CE 4.19Å; Y428-M437 HydrophobicContact CE2-CE 3.49Å; Y428-M437 VanDerWaalsContact CE2-CE 3.49Å; Y428-M437 HydrophobicContact CE2-SD 4.15Å; Y428-M437 HydrophobicContact CG-CE 3.97Å; R432-M437 HydrophobicContact CG-CE 4.34Å; R432-M437 WeakPolarHBondContact O-CG 3.41Å; R432-M437 PolarHBondContact O-N 3.44Å; R432-M437 VanDerWaalsContact O-N 3.09Å; Y433-M437 HydrophobicContact CD2-SD 4.18Å
438	A	94.9	Very high	93.7	Very high	66 Å²	66	54 Å²	54	55%	0.545	32%	0.315	S	S	.	.			trans	-62.5	153	171.6	0	0	0	0	0	110.5	S405 R406	S405-A438 CarbonylContact C-O 3.01Å; S405-A438 VanDerWaalsContact CA-O 3.25Å; S405-A438 WeakPolarHBondContact CA-O 3.32Å; S405-A438 WeakPolarHBondContact CB-O 3.44Å; R406-A438 PolarHBondContact N-O 3.22Å
439	E	92.5	Very high	93.6	Very high	136 Å²	136	56.8 Å²	56.8	64%	0.636	33%	0.33	S	S	*	.	S	Bend	trans	-64.2	-51.9	-179.4	-177.4	176.4	177	0	0	112.6	H407	H407-E439 VanDerWaalsContact CB-O 3.32Å; H407-E439 WeakPolarHBondContact CB-O 3.29Å; H407-E439 PolarHBondContact N-O 3Å
440	A	90.8	Very high	93.5	Very high	46 Å²	46	55.6 Å²	55.6	38%	0.38	32%	0.322	S	S	.	.	S	Bend	trans	-131.7	170.5	-179.2	0	0	0	0	0	110.6	S405 H407	S405-A440 VanDerWaalsContact CB-C 3.46Å; H407-A440 HydrophobicContact CB-CB 4.44Å
441	R	90.3	Very high	93.4	Very high	31 Å²	31	51.1 Å²	51.1	12%	0.117	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-65	141.7	173.3	-67.5	-174.3	-174.2	140.8	-20.9	110.8	E192 E368 Q408	E192-R441 IonicContact OE1-CZ 3.96Å; E192-R441 IonicContact OE1-NH1 3.67Å; E192-R441 PolarHBondContact OE1-NH1 3.5Å; E192-R441 IonicContact OE1-NH2 3.88Å; E192-R441 PolarHBondContact OE1-NH2 3.26Å; E192-R441 IonicContact OE2-CZ 3.89Å; E192-R441 IonicContact OE2-NH1 3.61Å; E192-R441 PolarHBondContact OE2-NH1 3.17Å; E192-R441 IonicContact OE2-NH2 2.83Å; E368-R441 IonicContact OE2-CZ 3.46Å; E368-R441 IonicContact OE2-NE 3.81Å; E368-R441 IonicContact OE2-NH2 3.32Å; E368-R441 PolarHBondContact OE2-NH2 2.75Å; Q408-R441 HydrophobicContact CG-CG 3.79Å; Q408-R441 VanDerWaalsContact NE2-NE 3.14Å
442	G	90.2	Very high	93.2	Very high	36 Å²	36	50.3 Å²	50.3	37%	0.371	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-76.1	155.5	168	0	0	0	0	0	111.5
443	P	93.4	Very high	93	Very high	15 Å²	15	46.7 Å²	46.7	10%	0.097	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-73.1	136.1	-179.8	32.2	-36.5	0	0	0	112.1	R193 V445 T446 D472	R193-P443 HydrophobicContact CB-CB 4.4Å; P443-V445 VanDerWaalsContact C-N 3.25Å; P443-V445 HydrophobicContact CB-CG1 4.21Å; P443-V445 PolarHBondContact O-N 3.24Å; P443-T446 HydrophobicContact CG-CG2 3.98Å; P443-T446 PolarHBondContact O-N 3.09Å; P443-T446 PolarHBondContact O-OG1 3.16Å; P443-D472 HydrophobicContact CB-CB 4.14Å; P443-D472 HydrophobicContact CG-CB 3.71Å
444	R	93.8	Very high	92.8	Very high	62 Å²	62	45.1 Å²	45.1	23%	0.234	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-69.6	-22.4	-176.9	-60.3	-164.9	-163.3	-166.2	1.3	113.4	E192 R193 V195 T446 E447 E448	E192-R444 PolarHBondContact O-NE 3.22Å; E192-R444 IonicContact OE2-NH2 2.72Å; E192-R444 PolarHBondContact OE2-NH2 3.03Å; E192-R444 VanDerWaalsContact OE2-NH2 3.13Å; R193-R444 WeakPolarHBondContact O-CB 3.35Å; R193-R444 WeakPolarHBondContact O-CG 3.19Å; R193-R444 PolarHBondContact O-N 2.89Å; V195-R444 HydrophobicContact CG2-CB 4.12Å; R444-T446 PolarHBondContact O-N 3.43Å; R444-E447 CarbonylContact O-C 3.49Å; R444-E447 PolarHBondContact O-N 3.18Å; R444-E448 HydrophobicContact CB-CG 4.23Å; R444-E448 WeakPolarHBondContact CB-OE1 3.36Å; R444-E448 WeakPolarHBondContact CD-OE1 3.23Å; R444-E448 PolarHBondContact O-N 3.46Å
445	V	92.5	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-58.5	-15.8	173.2	81.7	0	0	0	0	114	V195 P443 L450 F470 D472 P474	V195-V445 HydrophobicContact CG2-CB 4.28Å; P443-V445 VanDerWaalsContact C-N 3.25Å; P443-V445 HydrophobicContact CB-CG1 4.21Å; P443-V445 PolarHBondContact O-N 3.24Å; V445-L450 HydrophobicContact CG2-CD2 4.03Å; V445-F470 HydrophobicContact CG2-CD1 4.47Å; V445-F470 HydrophobicContact CG2-CE1 4.22Å; V445-D472 WeakPolarHBondContact CG1-O 3.36Å; V445-P474 HydrophobicContact CG2-CB 4.08Å; V445-P474 HydrophobicContact CG2-CG 4.25Å
446	T	91.1	Very high	92.5	Very high	66 Å²	66	35.5 Å²	35.5	41%	0.405	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-97	-9	175.1	63.3	0	0	0	0	114	P443 R444	P443-T446 HydrophobicContact CG-CG2 3.98Å; P443-T446 PolarHBondContact O-N 3.09Å; P443-T446 PolarHBondContact O-OG1 3.16Å; R444-T446 PolarHBondContact O-N 3.43Å
447	E	91.9	Very high	92.3	Very high	30 Å²	30	33.4 Å²	33.4	14%	0.14	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-2.9	-171.6	-64.1	-169.5	146	0	0	113.4	K387 V389 Y390 R402 R444	K387-E447 IonicContact NZ-OE2 3.01Å; K387-E447 PolarHBondContact NZ-OE2 2.72Å; V389-E447 CarbonylContact C-O 3.55Å; V389-E447 WeakPolarHBondContact CA-O 3.36Å; V389-E447 HydrophobicContact CG1-CB 4.02Å; V389-E447 HydrophobicContact CG1-CG 4.26Å; V389-E447 HydrophobicContact CG2-CB 4.39Å; Y390-E447 PolarHBondContact N-O 3.18Å; R402-E447 IonicContact CZ-OE1 3.23Å; R402-E447 IonicContact NH1-OE1 2.75Å; R402-E447 PolarHBondContact NH1-OE1 2.92Å; R444-E447 CarbonylContact O-C 3.49Å; R444-E447 PolarHBondContact O-N 3.18Å
448	E	93.9	Very high	91.9	Very high	69 Å²	69	34.1 Å²	34.1	32%	0.322	19%	0.193	S	C	.	.	S	Bend	trans	-114.6	163.4	-177.6	-70.3	-176.8	-169.7	0	0	112.7	V195 R444	V195-E448 HydrophobicContact CG2-CB 4.03Å; V195-E448 HydrophobicContact CG2-CG 4.41Å; V195-E448 WeakPolarHBondContact CG2-OE2 3.29Å; R444-E448 HydrophobicContact CB-CG 4.23Å; R444-E448 WeakPolarHBondContact CB-OE1 3.36Å; R444-E448 WeakPolarHBondContact CD-OE1 3.23Å; R444-E448 PolarHBondContact O-N 3.46Å
449	N	93.3	Very high	91.6	Very high	62 Å²	62	34.8 Å²	34.8	33%	0.332	18%	0.181	S	C	.	.			trans	-73.4	128.2	172.7	-172.8	-11.9	0	0	0	109.4	Y390 S451	Y390-N449 HydrophobicContact CD1-CB 4.15Å; Y390-N449 HydrophobicContact CD2-CB 3.76Å; Y390-N449 HydrophobicContact CE1-CB 4.34Å; Y390-N449 HydrophobicContact CE2-CB 3.94Å; Y390-N449 HydrophobicContact CG-CB 3.85Å; N449-S451 PolarHBondContact OD1-N 2.65Å; N449-S451 PolarHBondContact OD1-OG 3.31Å
450	L	93.9	Very high	91.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.159	C	C	.	.			trans	-99.7	1.2	-175.6	-53.5	-179.2	0	0	0	113.5	V195 V445 H452 L453 V454 P474 L479 A482	V195-L450 HydrophobicContact CG1-CD2 4.3Å; V195-L450 HydrophobicContact CG2-CD2 4.43Å; V445-L450 HydrophobicContact CG2-CD2 4.03Å; L450-H452 PolarHBondContact O-N 2.95Å; L450-L453 HydrophobicContact CD2-CD2 4.32Å; L450-L453 PolarHBondContact O-N 2.95Å; L450-V454 HydrophobicContact CB-CG2 4.4Å; L450-V454 WeakPolarHBondContact O-CB 3.18Å; L450-V454 WeakPolarHBondContact O-CG2 3.48Å; L450-V454 PolarHBondContact O-N 2.96Å; L450-P474 HydrophobicContact CD1-CB 3.47Å; L450-P474 VanDerWaalsContact CD1-CB 3.47Å; L450-P474 HydrophobicContact CD1-CG 4.13Å; L450-L479 HydrophobicContact CD1-CD2 4.09Å; L450-A482 HydrophobicContact CB-CB 4.13Å
451	S	93.9	Very high	90.9	Very high	7 Å²	7	34.3 Å²	34.3	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-45.3	-176.2	-56.4	0	0	0	0	112.9	N449 V454 L455	N449-S451 PolarHBondContact OD1-N 2.65Å; N449-S451 PolarHBondContact OD1-OG 3.31Å; S451-V454 PolarHBondContact O-N 3.16Å; S451-L455 PolarHBondContact O-N 3.16Å; S451-L455 VanDerWaalsContact O-N 3.11Å
452	H	91.9	Very high	90.3	Very high	41 Å²	41	34.2 Å²	34.2	19%	0.19	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-51.4	174.8	-174.3	-117.9	0	0	0	110.7	E171 L450 V454 L455 L456	E171-H452 IonicContact OE1-CE1 3.32Å; L450-H452 PolarHBondContact O-N 2.95Å; H452-V454 VanDerWaalsContact C-N 3.32Å; H452-V454 PolarHBondContact O-N 3.18Å; H452-L455 WeakPolarHBondContact O-CA 3.39Å; H452-L455 VanDerWaalsContact O-CB 3.29Å; H452-L455 WeakPolarHBondContact O-CB 3.36Å; H452-L455 PolarHBondContact O-N 3.11Å; H452-L456 WeakPolarHBondContact O-CG 3.16Å; H452-L456 PolarHBondContact O-N 3.2Å
453	L	90.4	Very high	88.9	Confident	9 Å²	9	35.4 Å²	35.4	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-53.7	-46.8	177.7	172.4	63.6	0	0	0	112.6	L170 V195 V199 L450 L455 L456 L457	L170-L453 HydrophobicContact CD2-CD1 4.17Å; V195-L453 HydrophobicContact CG1-CB 4.33Å; V195-L453 HydrophobicContact CG1-CD2 3.63Å; V195-L453 HydrophobicContact CG1-CG 4.38Å; V199-L453 HydrophobicContact CB-CD1 4.21Å; V199-L453 HydrophobicContact CG1-CD1 3.95Å; V199-L453 HydrophobicContact CG2-CD1 3.49Å; V199-L453 VanDerWaalsContact CG2-CD1 3.49Å; V199-L453 HydrophobicContact CG2-CD2 3.63Å; V199-L453 HydrophobicContact CG2-CG 4.2Å; L450-L453 HydrophobicContact CD2-CD2 4.32Å; L450-L453 PolarHBondContact O-N 2.95Å; L453-L455 VanDerWaalsContact C-N 3.27Å; L453-L455 PolarHBondContact O-N 3.26Å; L453-L456 PolarHBondContact O-N 3.38Å; L453-L457 HydrophobicContact CD1-CD1 3.86Å; L453-L457 HydrophobicContact CD1-CD2 4.35Å; L453-L457 HydrophobicContact CD1-CG 3.82Å; L453-L457 HydrophobicContact CD2-CD1 4.25Å; L453-L457 HydrophobicContact CG-CD1 3.81Å; L453-L457 HydrophobicContact CG-CG 4.19Å; L453-L457 WeakPolarHBondContact O-CG 3.45Å; L453-L457 PolarHBondContact O-N 2.72Å
454	V	92.4	Very high	87.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-38.3	-179.3	170.3	0	0	0	0	110.7	L450 S451 H452 L457 K458 M465 L479 A482 L483 L486	L450-V454 HydrophobicContact CB-CG2 4.4Å; L450-V454 WeakPolarHBondContact O-CB 3.18Å; L450-V454 WeakPolarHBondContact O-CG2 3.48Å; L450-V454 PolarHBondContact O-N 2.96Å; S451-V454 PolarHBondContact O-N 3.16Å; H452-V454 VanDerWaalsContact C-N 3.32Å; H452-V454 PolarHBondContact O-N 3.18Å; V454-L457 PolarHBondContact O-N 3.19Å; V454-K458 HydrophobicContact CG1-CG 4.43Å; V454-K458 WeakPolarHBondContact O-CB 3.43Å; V454-K458 VanDerWaalsContact O-CG 3.29Å; V454-K458 WeakPolarHBondContact O-CG 3.41Å; V454-K458 PolarHBondContact O-N 3.1Å; V454-M465 HydrophobicContact CG1-CE 4.2Å; V454-L479 HydrophobicContact CG2-CD2 4.13Å; V454-A482 HydrophobicContact CB-CB 4.24Å; V454-A482 HydrophobicContact CG2-CB 3.74Å; V454-L483 HydrophobicContact CG1-CD2 3.65Å; V454-L483 HydrophobicContact CG1-CG 4.18Å; V454-L486 HydrophobicContact CB-CD1 4.02Å; V454-L486 HydrophobicContact CG1-CD1 3.66Å
455	L	92.4	Very high	86.7	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-48.5	173.3	-176.1	69.4	0	0	0	111.2	S451 H452 L453 L457 K458 R459 L486 A491 L498 M505 P512	S451-L455 PolarHBondContact O-N 3.16Å; S451-L455 VanDerWaalsContact O-N 3.11Å; H452-L455 WeakPolarHBondContact O-CA 3.39Å; H452-L455 VanDerWaalsContact O-CB 3.29Å; H452-L455 WeakPolarHBondContact O-CB 3.36Å; H452-L455 PolarHBondContact O-N 3.11Å; L453-L455 VanDerWaalsContact C-N 3.27Å; L453-L455 PolarHBondContact O-N 3.26Å; L455-L457 PolarHBondContact O-N 3.28Å; L455-K458 PolarHBondContact O-N 3.35Å; L455-R459 PolarHBondContact O-N 3Å; L455-L486 HydrophobicContact CB-CD1 4.09Å; L455-L486 HydrophobicContact CB-CD2 4.2Å; L455-L486 HydrophobicContact CD1-CD2 4.26Å; L455-A491 HydrophobicContact CD1-CB 4.36Å; L455-L498 HydrophobicContact CD1-CD2 3.67Å; L455-M505 HydrophobicContact CD2-CB 4.19Å; L455-P512 HydrophobicContact CD2-CG 4.24Å
456	L	89.3	Confident	85.4	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-45	177.7	-51.5	179	0	0	0	111.6	L170 M174 H452 L453 K458 R459 L460	L170-L456 HydrophobicContact CD2-CD1 3.89Å; L170-L456 HydrophobicContact CG-CD1 4.09Å; M174-L456 HydrophobicContact CE-CD2 3.42Å; M174-L456 VanDerWaalsContact CE-CD2 3.42Å; M174-L456 HydrophobicContact CG-CB 4.37Å; M174-L456 HydrophobicContact CG-CD2 4.16Å; M174-L456 HydrophobicContact SD-CB 4.1Å; M174-L456 HydrophobicContact SD-CD2 3.1Å; M174-L456 WeakPolarHBondContact SD-CD2 3.28Å; M174-L456 HydrophobicContact SD-CG 4.13Å; H452-L456 WeakPolarHBondContact O-CG 3.16Å; H452-L456 PolarHBondContact O-N 3.2Å; L453-L456 PolarHBondContact O-N 3.38Å; L456-K458 PolarHBondContact O-N 3.27Å; L456-R459 WeakPolarHBondContact O-CB 3.44Å; L456-R459 PolarHBondContact O-N 3.15Å; L456-R459 VanDerWaalsContact O-N 3.14Å; L456-L460 WeakPolarHBondContact O-CG 3.44Å; L456-L460 PolarHBondContact O-N 3.29Å; L456-L460 VanDerWaalsContact O-N 3.13Å
457	L	88.5	Confident	84.4	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-66.2	-38.8	-179.6	-69.7	176.1	0	0	0	112	V199 L453 V454 L455 R459 L460 I462 M465 F470	V199-L457 HydrophobicContact CG1-CD2 3.89Å; L453-L457 HydrophobicContact CD1-CD1 3.86Å; L453-L457 HydrophobicContact CD1-CD2 4.35Å; L453-L457 HydrophobicContact CD1-CG 3.82Å; L453-L457 HydrophobicContact CD2-CD1 4.25Å; L453-L457 HydrophobicContact CG-CD1 3.81Å; L453-L457 HydrophobicContact CG-CG 4.19Å; L453-L457 WeakPolarHBondContact O-CG 3.45Å; L453-L457 PolarHBondContact O-N 2.72Å; V454-L457 PolarHBondContact O-N 3.19Å; L455-L457 PolarHBondContact O-N 3.28Å; L457-R459 VanDerWaalsContact C-N 3.28Å; L457-R459 PolarHBondContact O-N 2.71Å; L457-L460 PolarHBondContact O-N 3.33Å; L457-I462 HydrophobicContact CD2-CD1 3.82Å; L457-I462 WeakPolarHBondContact O-CB 3.49Å; L457-I462 PolarHBondContact O-N 3.03Å; L457-M465 HydrophobicContact CB-CE 3.61Å; L457-M465 HydrophobicContact CB-SD 3.6Å; L457-M465 VanDerWaalsContact CB-SD 3.6Å; L457-M465 HydrophobicContact CD1-SD 3.57Å; L457-M465 VanDerWaalsContact CD1-SD 3.57Å; L457-M465 HydrophobicContact CG-SD 4.23Å; L457-F470 HydrophobicContact CD1-CZ 4.34Å
458	K	89.3	Confident	83.6	Confident	29 Å²	29	40.2 Å²	40.2	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-34	173	-73.4	-69.6	-175	172.4	0	111.5	V454 L455 L456 L460 D461 A463 M465 L492 G496 L498	V454-K458 HydrophobicContact CG1-CG 4.43Å; V454-K458 WeakPolarHBondContact O-CB 3.43Å; V454-K458 VanDerWaalsContact O-CG 3.29Å; V454-K458 WeakPolarHBondContact O-CG 3.41Å; V454-K458 PolarHBondContact O-N 3.1Å; L455-K458 PolarHBondContact O-N 3.35Å; L456-K458 PolarHBondContact O-N 3.27Å; K458-L460 VanDerWaalsContact C-N 3.28Å; K458-L460 PolarHBondContact O-N 3.07Å; K458-D461 PolarHBondContact O-N 2.88Å; K458-D461 VanDerWaalsContact O-N 3.11Å; K458-A463 PolarHBondContact NZ-O 3.35Å; K458-A463 VanDerWaalsContact NZ-O 3.15Å; K458-M465 HydrophobicContact CB-CE 4.49Å; K458-M465 HydrophobicContact CD-CE 3.73Å; K458-M465 HydrophobicContact CG-CE 3.57Å; K458-L492 HydrophobicContact CG-CD2 4.34Å; K458-G496 VanDerWaalsContact CE-O 3.29Å; K458-G496 WeakPolarHBondContact CE-O 3.41Å; K458-G496 PolarHBondContact NZ-O 3.09Å; K458-L498 HydrophobicContact CB-CD1 4.2Å; K458-L498 HydrophobicContact CB-CD2 3.92Å; K458-L498 HydrophobicContact CB-CG 3.8Å
459	R	88.4	Confident	83.1	Confident	81 Å²	81	41.1 Å²	41.1	31%	0.306	22%	0.218	S	C	.	.	H	α-helix	trans	-64.5	-32.3	175	-176	58.1	167.7	169.8	-2.6	112.7	M174 L455 L456 L457 D461 L498 S506 E507	M174-R459 HydrophobicContact CB-CG 4.43Å; M174-R459 HydrophobicContact SD-CB 4.42Å; M174-R459 HydrophobicContact SD-CG 4.23Å; L455-R459 PolarHBondContact O-N 3Å; L456-R459 WeakPolarHBondContact O-CB 3.44Å; L456-R459 PolarHBondContact O-N 3.15Å; L456-R459 VanDerWaalsContact O-N 3.14Å; L457-R459 VanDerWaalsContact C-N 3.28Å; L457-R459 PolarHBondContact O-N 2.71Å; R459-D461 PolarHBondContact O-N 3.18Å; R459-L498 VanDerWaalsContact CA-CD1 3.42Å; R459-L498 HydrophobicContact CB-CD1 3.92Å; R459-S506 VanDerWaalsContact CD-OG 3.23Å; R459-S506 WeakPolarHBondContact CD-OG 3.27Å; R459-S506 PolarHBondContact NE-OG 2.8Å; R459-E507 IonicContact CZ-OE1 2.84Å; R459-E507 IonicContact NE-OE1 3.43Å; R459-E507 IonicContact NH2-OE1 3.71Å; R459-E507 PolarHBondContact NH2-OE1 2.86Å
460	L	85.4	Confident	82.8	Confident	32 Å²	32	39 Å²	39	17%	0.168	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	9.9	173.8	-65.4	175.2	0	0	0	114.2	M173 P177 L203 L456 L457 K458 I462	M173-L460 VanDerWaalsContact O-CD2 3.24Å; M173-L460 WeakPolarHBondContact O-CD2 3.44Å; P177-L460 HydrophobicContact CB-CD2 4.1Å; P177-L460 HydrophobicContact CG-CD2 3.87Å; L203-L460 HydrophobicContact CD1-CD1 3.84Å; L203-L460 HydrophobicContact CD2-CD1 4.44Å; L456-L460 WeakPolarHBondContact O-CG 3.44Å; L456-L460 PolarHBondContact O-N 3.29Å; L456-L460 VanDerWaalsContact O-N 3.13Å; L457-L460 PolarHBondContact O-N 3.33Å; K458-L460 VanDerWaalsContact C-N 3.28Å; K458-L460 PolarHBondContact O-N 3.07Å; L460-I462 HydrophobicContact CB-CD1 4.08Å; L460-I462 HydrophobicContact CB-CG1 4.14Å; L460-I462 HydrophobicContact CD1-CD1 4.43Å; L460-I462 PolarHBondContact O-N 3.26Å
461	D	82.6	Confident	82.6	Confident	140 Å²	140	40.1 Å²	40.1	75%	0.749	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	29.3	-176.7	-158.5	27.1	0	0	0	113.5	K458 R459 A463	K458-D461 PolarHBondContact O-N 2.88Å; K458-D461 VanDerWaalsContact O-N 3.11Å; R459-D461 PolarHBondContact O-N 3.18Å; D461-A463 VanDerWaalsContact C-N 3.33Å; D461-A463 PolarHBondContact O-N 3.01Å; D461-A463 VanDerWaalsContact O-N 3.07Å
462	I	77.4	Confident	82.4	Confident	29 Å²	29	41.7 Å²	41.7	15%	0.149	22%	0.22	C	C	.	.			trans	-83.6	85.7	172.2	-57.7	170.7	0	0	0	107.4	L203 L457 L460 D464 M465	L203-I462 HydrophobicContact CD2-CD1 3.57Å; L457-I462 HydrophobicContact CD2-CD1 3.82Å; L457-I462 WeakPolarHBondContact O-CB 3.49Å; L457-I462 PolarHBondContact O-N 3.03Å; L460-I462 HydrophobicContact CB-CD1 4.08Å; L460-I462 HydrophobicContact CB-CG1 4.14Å; L460-I462 HydrophobicContact CD1-CD1 4.43Å; L460-I462 PolarHBondContact O-N 3.26Å; I462-D464 PolarHBondContact O-N 2.77Å; I462-M465 HydrophobicContact CG2-SD 4.48Å
463	A	61.9	Low	82.3	Confident	61 Å²	61	47.6 Å²	47.6	50%	0.504	24%	0.24	S	C	.	.			trans	-60.9	-45.3	-176.2	0	0	0	0	0	112.5	K458 D461	K458-A463 PolarHBondContact NZ-O 3.35Å; K458-A463 VanDerWaalsContact NZ-O 3.15Å; D461-A463 VanDerWaalsContact C-N 3.33Å; D461-A463 PolarHBondContact O-N 3.01Å; D461-A463 VanDerWaalsContact O-N 3.07Å
464	D	69.5	Low	82.2	Confident	83 Å²	83	47.7 Å²	47.7	44%	0.444	24%	0.242	S	C	.	.			trans	-109.6	107.1	178.2	176.7	11.9	0	0	0	110.6	I462 G466 Q467	I462-D464 PolarHBondContact O-N 2.77Å; D464-G466 PolarHBondContact O-N 2.92Å; D464-G466 VanDerWaalsContact O-N 3.07Å; D464-G466 WeakPolarHBondContact OD1-CA 3.47Å; D464-G466 PolarHBondContact OD1-N 2.92Å; D464-Q467 HydrophobicContact CB-CG 3.9Å; D464-Q467 VanDerWaalsContact O-CB 3.28Å; D464-Q467 WeakPolarHBondContact O-CB 3.16Å; D464-Q467 PolarHBondContact O-N 3.11Å
465	M	71.2	Confident	82.1	Confident	19 Å²	19	49.8 Å²	49.8	9%	0.094	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-57.8	-23	177.1	-60	-60.9	164.9	0	0	112.7	V454 L457 K458 I462 Q467 C468	V454-M465 HydrophobicContact CG1-CE 4.2Å; L457-M465 HydrophobicContact CB-CE 3.61Å; L457-M465 HydrophobicContact CB-SD 3.6Å; L457-M465 VanDerWaalsContact CB-SD 3.6Å; L457-M465 HydrophobicContact CD1-SD 3.57Å; L457-M465 VanDerWaalsContact CD1-SD 3.57Å; L457-M465 HydrophobicContact CG-SD 4.23Å; K458-M465 HydrophobicContact CB-CE 4.49Å; K458-M465 HydrophobicContact CD-CE 3.73Å; K458-M465 HydrophobicContact CG-CE 3.57Å; I462-M465 HydrophobicContact CG2-SD 4.48Å; M465-Q467 PolarHBondContact O-N 3.06Å; M465-C468 WeakPolarHBondContact O-CB 3.46Å; M465-C468 PolarHBondContact O-N 2.95Å
466	G	65.8	Low	82	Confident	31 Å²	31	54.2 Å²	54.2	32%	0.32	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-66.8	-17.6	174	0	0	0	0	0	114.4	D464 R473	D464-G466 PolarHBondContact O-N 2.92Å; D464-G466 VanDerWaalsContact O-N 3.07Å; D464-G466 WeakPolarHBondContact OD1-CA 3.47Å; D464-G466 PolarHBondContact OD1-N 2.92Å; G466-R473 PolarHBondContact O-NH2 3.1Å
467	Q	68.9	Low	82.1	Confident	136 Å²	136	57.7 Å²	57.7	64%	0.636	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-80.9	-25.3	175.4	-60.9	179.6	8.8	0	0	112.3	D464 M465 K469	D464-Q467 HydrophobicContact CB-CG 3.9Å; D464-Q467 VanDerWaalsContact O-CB 3.28Å; D464-Q467 WeakPolarHBondContact O-CB 3.16Å; D464-Q467 PolarHBondContact O-N 3.11Å; M465-Q467 PolarHBondContact O-N 3.06Å; Q467-K469 PolarHBondContact O-N 3.06Å
468	C	75.6	Confident	82.3	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.034	31%	0.307	C	S	.	.	S	Bend	trans	-65.1	130.9	175.2	-172.2	0	0	0	0	110.2	M465 F470	M465-C468 WeakPolarHBondContact O-CB 3.46Å; M465-C468 PolarHBondContact O-N 2.95Å; C468-F470 HydrophobicContact CB-CD2 4.11Å; C468-F470 HydrophobicContact CB-CE2 3.64Å; C468-F470 HydrophobicContact CB-CZ 4.36Å; C468-F470 PolarHBondContact O-N 2.86Å; C468-F470 VanDerWaalsContact O-N 3.14Å
469	K	83.1	Confident	82.4	Confident	88 Å²	88	58.5 Å²	58.5	38%	0.383	31%	0.31	S	S	.	.			trans	-83.8	89.5	-178.8	-71.6	-179	178.6	175	0	110.3	G202 R209 F232 Q467	G202-K469 WeakPolarHBondContact CA-O 3.45Å; R209-K469 VanDerWaalsContact NH1-NZ 3.18Å; R209-K469 VanDerWaalsContact NH2-NZ 3.17Å; F232-K469 HydrophobicContact CE2-CB 4.23Å; F232-K469 HydrophobicContact CZ-CB 3.98Å; F232-K469 WeakPolarHBondContact CZ-O 3.36Å; Q467-K469 PolarHBondContact O-N 3.06Å
470	F	86.4	Confident	82.6	Confident	17 Å²	17	60.2 Å²	60.2	8%	0.075	32%	0.323	C	S	.	.			trans	-84	139.9	169.6	-68.5	-86	0	0	0	111.9	V199 V445 L457 C468 D472 R473	V199-F470 HydrophobicContact CG2-CE1 3.59Å; V199-F470 HydrophobicContact CG2-CZ 4.21Å; V445-F470 HydrophobicContact CG2-CD1 4.47Å; V445-F470 HydrophobicContact CG2-CE1 4.22Å; L457-F470 HydrophobicContact CD1-CZ 4.34Å; C468-F470 HydrophobicContact CB-CD2 4.11Å; C468-F470 HydrophobicContact CB-CE2 3.64Å; C468-F470 HydrophobicContact CB-CZ 4.36Å; C468-F470 PolarHBondContact O-N 2.86Å; C468-F470 VanDerWaalsContact O-N 3.14Å; F470-D472 WeakPolarHBondContact CB-O 3.35Å; F470-R473 HydrophobicContact CB-CG 4.08Å
471	L	90.2	Very high	82.9	Confident	24 Å²	24	59.6 Å²	59.6	13%	0.126	32%	0.319	C	S	.	.	S	Bend	trans	-64	-43.3	168.9	177.8	59.1	0	0	0	111.4	L201 L229 F232	L201-L471 HydrophobicContact CD2-CB 4.35Å; L229-L471 HydrophobicContact CD2-CD2 3.94Å; F232-L471 HydrophobicContact CB-CD1 3.57Å; F232-L471 HydrophobicContact CD2-CB 4.32Å; F232-L471 HydrophobicContact CD2-CD1 3.96Å; F232-L471 HydrophobicContact CE2-CB 4.46Å; F232-L471 HydrophobicContact CG-CD1 3.79Å
472	D	90.3	Very high	83.5	Confident	40 Å²	40	53 Å²	53	21%	0.214	28%	0.284	C	S	.	.	S	Bend	trans	-128.9	120.9	168.2	-71.7	-68.5	0	0	0	107.8	R193 R228 P443 V445 F470	R193-D472 IonicContact CZ-OD2 3.43Å; R193-D472 VanDerWaalsContact CZ-OD2 3.23Å; R193-D472 IonicContact NH1-OD2 2.83Å; R193-D472 PolarHBondContact NH1-OD2 2.89Å; R193-D472 IonicContact NH2-OD2 3.57Å; R193-D472 PolarHBondContact NH2-OD2 3.09Å; R228-D472 IonicContact CZ-OD1 3.92Å; R228-D472 IonicContact CZ-OD2 3.93Å; R228-D472 IonicContact NH1-OD2 3.86Å; R228-D472 IonicContact NH2-OD1 2.85Å; R228-D472 PolarHBondContact NH2-OD1 3.06Å; R228-D472 IonicContact NH2-OD2 2.77Å; R228-D472 PolarHBondContact NH2-OD2 2.75Å; P443-D472 HydrophobicContact CB-CB 4.14Å; P443-D472 HydrophobicContact CG-CB 3.71Å; V445-D472 WeakPolarHBondContact CG1-O 3.36Å; F470-D472 WeakPolarHBondContact CB-O 3.35Å
473	R	88.4	Confident	84.3	Confident	166 Å²	166	54.4 Å²	54.4	63%	0.626	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-72.7	139.4	-177.4	-71.4	179.8	175.2	-150.2	-12.3	110.9	G466 F470	G466-R473 PolarHBondContact O-NH2 3.1Å; F470-R473 HydrophobicContact CB-CG 4.08Å
474	P	90.1	Very high	85.7	Confident	11 Å²	11	54.6 Å²	54.6	7%	0.071	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-60.1	155.1	169.7	22.9	-30.7	0	0	0	111.5	V445 L450 L479	V445-P474 HydrophobicContact CG2-CB 4.08Å; V445-P474 HydrophobicContact CG2-CG 4.25Å; L450-P474 HydrophobicContact CD1-CB 3.47Å; L450-P474 VanDerWaalsContact CD1-CB 3.47Å; L450-P474 HydrophobicContact CD1-CG 4.13Å; P474-L479 HydrophobicContact CB-CD2 4.39Å; P474-L479 HydrophobicContact CB-CG 4.16Å; P474-L479 HydrophobicContact CG-CD1 3.83Å; P474-L479 HydrophobicContact CG-CD2 3.78Å; P474-L479 HydrophobicContact CG-CG 3.75Å
475	A	89.6	Confident	86.9	Confident	43 Å²	43	51.4 Å²	51.4	36%	0.355	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-61	137.5	173.3	0	0	0	0	0	109.6	E477 S478 L479	A475-E477 PolarHBondContact O-N 2.83Å; A475-E477 VanDerWaalsContact O-N 3.14Å; A475-S478 PolarHBondContact O-N 3.06Å; A475-L479 PolarHBondContact O-N 2.9Å
476	P	90.1	Very high	88	Confident	96 Å²	96	50.5 Å²	50.5	62%	0.623	26%	0.261	S	S	*	.	H	α-helix	trans	-54.3	-35.8	177.9	-27.4	34.8	0	0	0	112.8	L479 M480	P476-L479 PolarHBondContact O-N 3.36Å; P476-M480 HydrophobicContact CB-CE 4.4Å; P476-M480 WeakPolarHBondContact O-CB 3.37Å; P476-M480 WeakPolarHBondContact O-CG 3.23Å; P476-M480 PolarHBondContact O-N 2.81Å
477	E	91.9	Very high	89.4	Confident	78 Å²	78	52.8 Å²	52.8	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-44.1	176	-170.9	-171.1	146.7	0	0	112.8	P392 Q393 A475 L479 M480 Q481	P392-E477 HydrophobicContact CB-CG 4.44Å; P392-E477 HydrophobicContact CG-CG 4.26Å; P392-E477 WeakPolarHBondContact CG-OE1 3.41Å; Q393-E477 VanDerWaalsContact CD-OE1 3.29Å; Q393-E477 VanDerWaalsContact CG-OE1 3.24Å; Q393-E477 WeakPolarHBondContact CG-OE1 3.42Å; Q393-E477 PolarHBondContact NE2-OE1 2.74Å; A475-E477 PolarHBondContact O-N 2.83Å; A475-E477 VanDerWaalsContact O-N 3.14Å; E477-L479 VanDerWaalsContact C-N 3.34Å; E477-L479 PolarHBondContact O-N 2.85Å; E477-M480 PolarHBondContact O-N 2.99Å; E477-Q481 VanDerWaalsContact O-CB 3.28Å; E477-Q481 WeakPolarHBondContact O-CB 3.4Å; E477-Q481 PolarHBondContact O-N 3.17Å
478	S	92.9	Very high	90.6	Very high	12 Å²	12	48.4 Å²	48.4	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-38.5	177.6	-54.6	0	0	0	0	112.1	A475 A482	A475-S478 PolarHBondContact O-N 3.06Å; S478-A482 WeakPolarHBondContact O-CB 3.08Å; S478-A482 PolarHBondContact O-N 2.82Å
479	L	91.4	Very high	91.6	Very high	36 Å²	36	48.6 Å²	48.6	19%	0.188	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-44.5	174.9	-72.4	177.8	0	0	0	112.1	L450 V454 P474 A475 P476 E477 Q481 A482 L483	L450-L479 HydrophobicContact CD1-CD2 4.09Å; V454-L479 HydrophobicContact CG2-CD2 4.13Å; P474-L479 HydrophobicContact CB-CD2 4.39Å; P474-L479 HydrophobicContact CB-CG 4.16Å; P474-L479 HydrophobicContact CG-CD1 3.83Å; P474-L479 HydrophobicContact CG-CD2 3.78Å; P474-L479 HydrophobicContact CG-CG 3.75Å; A475-L479 PolarHBondContact O-N 2.9Å; P476-L479 PolarHBondContact O-N 3.36Å; E477-L479 VanDerWaalsContact C-N 3.34Å; E477-L479 PolarHBondContact O-N 2.85Å; L479-Q481 VanDerWaalsContact C-N 3.3Å; L479-Q481 PolarHBondContact O-N 3.49Å; L479-A482 PolarHBondContact O-N 3.21Å; L479-L483 WeakPolarHBondContact O-CG 3.28Å; L479-L483 PolarHBondContact O-N 3.29Å
480	M	91.4	Very high	92.2	Very high	118 Å²	118	46.6 Å²	46.6	58%	0.581	24%	0.244	S	C	*	.	H	α-helix	trans	-61.8	-41.7	176.4	-74.1	-175.7	-64.3	0	0	111	P476 E477 L483 E484	P476-M480 HydrophobicContact CB-CE 4.4Å; P476-M480 WeakPolarHBondContact O-CB 3.37Å; P476-M480 WeakPolarHBondContact O-CG 3.23Å; P476-M480 PolarHBondContact O-N 2.81Å; E477-M480 PolarHBondContact O-N 2.99Å; M480-L483 PolarHBondContact O-N 2.93Å; M480-E484 WeakPolarHBondContact O-CB 3.38Å; M480-E484 PolarHBondContact O-N 3.44Å
481	Q	93.1	Very high	92.7	Very high	19 Å²	19	45.8 Å²	45.8	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-44.1	176.5	-175.8	51.4	76.8	0	0	111.8	P392 R395 E477 L479 E484 D485	P392-Q481 HydrophobicContact CB-CB 3.95Å; P392-Q481 HydrophobicContact CB-CG 3.94Å; P392-Q481 PolarHBondContact O-OE1 3.1Å; R395-Q481 HydrophobicContact CG-CG 4.12Å; E477-Q481 VanDerWaalsContact O-CB 3.28Å; E477-Q481 WeakPolarHBondContact O-CB 3.4Å; E477-Q481 PolarHBondContact O-N 3.17Å; L479-Q481 VanDerWaalsContact C-N 3.3Å; L479-Q481 PolarHBondContact O-N 3.49Å; Q481-E484 PolarHBondContact O-N 3.21Å; Q481-D485 VanDerWaalsContact NE2-CG 3.27Å; Q481-D485 PolarHBondContact NE2-OD1 3.39Å; Q481-D485 PolarHBondContact NE2-OD2 2.71Å; Q481-D485 PolarHBondContact O-N 3Å
482	A	94.3	Very high	92.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-42.5	175.9	0	0	0	0	0	112.6	L450 V454 S478 L479 D485 L486	L450-A482 HydrophobicContact CB-CB 4.13Å; V454-A482 HydrophobicContact CB-CB 4.24Å; V454-A482 HydrophobicContact CG2-CB 3.74Å; S478-A482 WeakPolarHBondContact O-CB 3.08Å; S478-A482 PolarHBondContact O-N 2.82Å; L479-A482 PolarHBondContact O-N 3.21Å; A482-D485 PolarHBondContact O-N 3.29Å; A482-L486 WeakPolarHBondContact O-CG 3.46Å; A482-L486 PolarHBondContact O-N 2.9Å; A482-L486 VanDerWaalsContact O-N 3.11Å
483	L	93.3	Very high	93	Very high	58 Å²	58	46 Å²	46	30%	0.304	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-43.1	175	-72.1	167.1	0	0	0	111.7	V454 L479 M480 L486 D487 L492	V454-L483 HydrophobicContact CG1-CD2 3.65Å; V454-L483 HydrophobicContact CG1-CG 4.18Å; L479-L483 WeakPolarHBondContact O-CG 3.28Å; L479-L483 PolarHBondContact O-N 3.29Å; M480-L483 PolarHBondContact O-N 2.93Å; L483-L486 PolarHBondContact O-N 2.94Å; L483-D487 WeakPolarHBondContact O-CB 3.23Å; L483-D487 PolarHBondContact O-N 3.42Å; L483-L492 HydrophobicContact CD2-CD1 3.83Å
484	E	93	Very high	93	Very high	65 Å²	65	46.2 Å²	46.2	30%	0.304	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-41	177.9	-161.2	-165.1	159	0	0	111.6	R395 M480 Q481 L486 D487 Y488	R395-E484 IonicContact CZ-OE1 3.94Å; R395-E484 IonicContact CZ-OE2 3.36Å; R395-E484 IonicContact NH2-OE1 2.84Å; R395-E484 PolarHBondContact NH2-OE1 3.34Å; R395-E484 IonicContact NH2-OE2 3.71Å; R395-E484 PolarHBondContact NH2-OE2 3.22Å; M480-E484 WeakPolarHBondContact O-CB 3.38Å; M480-E484 PolarHBondContact O-N 3.44Å; Q481-E484 PolarHBondContact O-N 3.21Å; E484-L486 PolarHBondContact O-N 3.5Å; E484-D487 PolarHBondContact O-N 3.12Å; E484-Y488 HydrophobicContact CG-CD2 4.11Å; E484-Y488 HydrophobicContact CG-CE2 3.51Å; E484-Y488 WeakPolarHBondContact O-CB 3.1Å; E484-Y488 WeakPolarHBondContact O-CD2 3.41Å; E484-Y488 PolarHBondContact O-N 3.17Å; E484-Y488 WeakPolarHBondContact OE1-CE2 3.36Å; E484-Y488 VanDerWaalsContact OE1-CZ 3.26Å; E484-Y488 PolarHBondContact OE1-OH 3.26Å
485	D	93.4	Very high	92.9	Very high	17 Å²	17	52.3 Å²	52.3	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-38.8	176.3	-72.6	-22.6	0	0	0	111.9	R395 Q481 A482 L489	R395-D485 IonicContact CZ-OD1 2.73Å; R395-D485 IonicContact NE-OD1 2.81Å; R395-D485 IonicContact NH1-OD1 3.63Å; R395-D485 PolarHBondContact NH1-OD1 2.85Å; Q481-D485 VanDerWaalsContact NE2-CG 3.27Å; Q481-D485 PolarHBondContact NE2-OD1 3.39Å; Q481-D485 PolarHBondContact NE2-OD2 2.71Å; Q481-D485 PolarHBondContact O-N 3Å; A482-D485 PolarHBondContact O-N 3.29Å; D485-L489 VanDerWaalsContact O-CG 3.28Å; D485-L489 WeakPolarHBondContact O-CG 3.1Å; D485-L489 PolarHBondContact O-N 2.89Å
486	L	95.7	Very high	92.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71.5	-37.2	176.3	-69.3	176.6	0	0	0	112.6	V454 L455 A482 L483 E484 L489 A490 A491 L492 P512	V454-L486 HydrophobicContact CB-CD1 4.02Å; V454-L486 HydrophobicContact CG1-CD1 3.66Å; L455-L486 HydrophobicContact CB-CD1 4.09Å; L455-L486 HydrophobicContact CB-CD2 4.2Å; L455-L486 HydrophobicContact CD1-CD2 4.26Å; A482-L486 WeakPolarHBondContact O-CG 3.46Å; A482-L486 PolarHBondContact O-N 2.9Å; A482-L486 VanDerWaalsContact O-N 3.11Å; L483-L486 PolarHBondContact O-N 2.94Å; E484-L486 PolarHBondContact O-N 3.5Å; L486-L489 PolarHBondContact O-N 2.98Å; L486-A490 PolarHBondContact O-N 2.93Å; L486-A491 HydrophobicContact CB-CB 4.19Å; L486-A491 HydrophobicContact CD2-CB 4.17Å; L486-A491 WeakPolarHBondContact O-CB 3.42Å; L486-A491 PolarHBondContact O-N 2.9Å; L486-L492 HydrophobicContact CB-CD1 3.9Å; L486-L492 HydrophobicContact CB-CG 3.91Å; L486-P512 HydrophobicContact CD2-CB 3.85Å; L486-P512 HydrophobicContact CD2-CG 4.05Å
487	D	95.1	Very high	92.8	Very high	78 Å²	78	50.1 Å²	50.1	42%	0.417	27%	0.269	S	S	.	.	H	α-helix	trans	-59.7	-47.9	171.8	179.2	68.4	0	0	0	111	L483 E484 L489 A490	L483-D487 WeakPolarHBondContact O-CB 3.23Å; L483-D487 PolarHBondContact O-N 3.42Å; E484-D487 PolarHBondContact O-N 3.12Å; D487-L489 PolarHBondContact O-N 2.74Å; D487-A490 WeakPolarHBondContact O-CA 3.41Å; D487-A490 PolarHBondContact O-N 2.85Å
488	Y	93.9	Very high	92.9	Very high	44 Å²	44	47.9 Å²	47.9	17%	0.173	26%	0.26	C	S	.	.	H	α-helix	trans	-57.7	-34.5	174.9	-79.6	-42	0	0	0	113.8	E484 A490 F642 L643 Y723 N727	E484-Y488 HydrophobicContact CG-CD2 4.11Å; E484-Y488 HydrophobicContact CG-CE2 3.51Å; E484-Y488 WeakPolarHBondContact O-CB 3.1Å; E484-Y488 WeakPolarHBondContact O-CD2 3.41Å; E484-Y488 PolarHBondContact O-N 3.17Å; E484-Y488 WeakPolarHBondContact OE1-CE2 3.36Å; E484-Y488 VanDerWaalsContact OE1-CZ 3.26Å; E484-Y488 PolarHBondContact OE1-OH 3.26Å; Y488-A490 PolarHBondContact O-N 2.96Å; Y488-F642 WeakPolarHBondContact O-CZ 3.24Å; Y488-L643 HydrophobicContact CD2-CD1 4.09Å; Y488-L643 HydrophobicContact CD2-CD2 4.43Å; Y488-Y723 HydrophobicContact CD1-CD2 4.3Å; Y488-Y723 AromaticContact CE1-CD2 3.87Å; Y488-Y723 HydrophobicContact CE1-CD2 3.87Å; Y488-Y723 HydrophobicContact CE2-CD2 4.44Å; Y488-Y723 AromaticContact CZ-CD2 3.97Å; Y488-N727 WeakPolarHBondContact CE1-ND2 3.36Å; Y488-N727 PolarHBondContact OH-ND2 2.8Å
489	L	95.6	Very high	93	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.047	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-0.8	176.4	-65.6	170.1	0	0	0	113	D485 L486 D487 A491 M505 P512 P513 K516 G640 F642	D485-L489 VanDerWaalsContact O-CG 3.28Å; D485-L489 WeakPolarHBondContact O-CG 3.1Å; D485-L489 PolarHBondContact O-N 2.89Å; L486-L489 PolarHBondContact O-N 2.98Å; D487-L489 PolarHBondContact O-N 2.74Å; L489-A491 PolarHBondContact O-N 3.19Å; L489-M505 HydrophobicContact CB-CE 4.39Å; L489-M505 HydrophobicContact CD1-CE 4.19Å; L489-P512 HydrophobicContact CD1-CB 3.79Å; L489-P513 HydrophobicContact CD1-CG 4.25Å; L489-K516 HydrophobicContact CD2-CB 4.03Å; L489-K516 HydrophobicContact CD2-CG 3.98Å; L489-K516 WeakPolarHBondContact O-CD 3.2Å; L489-K516 WeakPolarHBondContact O-CE 3.41Å; L489-K516 PolarHBondContact O-NZ 3.08Å; L489-K516 VanDerWaalsContact O-NZ 3.17Å; L489-G640 WeakPolarHBondContact CD2-O 3.38Å; L489-F642 HydrophobicContact CD2-CE1 4.35Å
490	A	95.4	Very high	93.1	Very high	46 Å²	46	54.5 Å²	54.5	38%	0.38	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	28.6	-169.8	0	0	0	0	0	112.7	L486 D487 Y488 L492 S499	L486-A490 PolarHBondContact O-N 2.93Å; D487-A490 WeakPolarHBondContact O-CA 3.41Å; D487-A490 PolarHBondContact O-N 2.85Å; Y488-A490 PolarHBondContact O-N 2.96Å; A490-L492 VanDerWaalsContact C-N 3.29Å; A490-S499 PolarHBondContact O-OG 2.84Å
491	A	96.6	Very high	93.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.275	C	S	.	.			trans	-77.6	-21.2	172.8	0	0	0	0	0	111.6	L455 L486 L489 S499 G502 M505	L455-A491 HydrophobicContact CD1-CB 4.36Å; L486-A491 HydrophobicContact CB-CB 4.19Å; L486-A491 HydrophobicContact CD2-CB 4.17Å; L486-A491 WeakPolarHBondContact O-CB 3.42Å; L486-A491 PolarHBondContact O-N 2.9Å; L489-A491 PolarHBondContact O-N 3.19Å; A491-S499 PolarHBondContact O-N 2.65Å; A491-S499 PolarHBondContact O-OG 3.4Å; A491-G502 WeakPolarHBondContact O-CA 3.39Å; A491-M505 HydrophobicContact CB-CE 3.95Å; A491-M505 HydrophobicContact CB-SD 3.86Å
492	L	95.4	Very high	93.4	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.063	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-110.2	152.3	173.9	-55	177.6	0	0	0	110.7	K458 L483 L486 A490 N497 L498	K458-L492 HydrophobicContact CG-CD2 4.34Å; L483-L492 HydrophobicContact CD2-CD1 3.83Å; L486-L492 HydrophobicContact CB-CD1 3.9Å; L486-L492 HydrophobicContact CB-CG 3.91Å; A490-L492 VanDerWaalsContact C-N 3.29Å; L492-N497 CarbonylContact C-O 3.53Å; L492-N497 WeakPolarHBondContact CA-O 3.37Å; L492-L498 HydrophobicContact CD2-CD2 4.2Å
493	D	92.3	Very high	93.4	Very high	57 Å²	57	52.9 Å²	52.9	31%	0.305	29%	0.286	S	S	.	.			trans	-88.3	176.7	167.1	67.1	16.1	0	0	0	111.9	D495 G496 N497	D493-D495 PolarHBondContact O-N 3.18Å; D493-D495 VanDerWaalsContact O-N 3.1Å; D493-D495 WeakPolarHBondContact OD1-CA 3.45Å; D493-D495 PolarHBondContact OD1-N 3.33Å; D493-G496 PolarHBondContact O-N 3.4Å; D493-G496 PolarHBondContact OD1-N 2.8Å; D493-N497 PolarHBondContact N-O 2.91Å; D493-N497 PolarHBondContact OD1-N 3.07Å
494	D	88.4	Confident	93.5	Very high	170 Å²	170	52.4 Å²	52.4	91%	0.909	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.5	-179.2	-66.4	-27.9	0	0	0	113.5
495	D	87.9	Confident	93.6	Very high	139 Å²	139	49.4 Å²	49.4	74%	0.743	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.5	176.9	-69.2	-46.6	0	0	0	112.3	D493 N497	D493-D495 PolarHBondContact O-N 3.18Å; D493-D495 VanDerWaalsContact O-N 3.1Å; D493-D495 WeakPolarHBondContact OD1-CA 3.45Å; D493-D495 PolarHBondContact OD1-N 3.33Å; D495-N497 WeakPolarHBondContact CB-ND2 3.49Å
496	G	87.6	Confident	93.5	Very high	21 Å²	21	48.7 Å²	48.7	22%	0.216	27%	0.265	C	S	.	.	S	Bend	trans	79.1	19.1	-179.4	0	0	0	0	0	114.5	K458 D493	K458-G496 VanDerWaalsContact CE-O 3.29Å; K458-G496 WeakPolarHBondContact CE-O 3.41Å; K458-G496 PolarHBondContact NZ-O 3.09Å; D493-G496 PolarHBondContact O-N 3.4Å; D493-G496 PolarHBondContact OD1-N 2.8Å
497	N	90.7	Very high	93.2	Very high	72 Å²	72	51.2 Å²	51.2	39%	0.385	28%	0.277	S	S	.	.	S	Bend	trans	-90.6	167.1	170.6	-52.1	-59.9	0	0	0	110.4	L492 D493 D495 S499	L492-N497 CarbonylContact C-O 3.53Å; L492-N497 WeakPolarHBondContact CA-O 3.37Å; D493-N497 PolarHBondContact N-O 2.91Å; D493-N497 PolarHBondContact OD1-N 3.07Å; D495-N497 WeakPolarHBondContact CB-ND2 3.49Å; N497-S499 PolarHBondContact O-N 3.3Å
498	L	93.3	Very high	93.1	Very high	32 Å²	32	47.7 Å²	47.7	17%	0.168	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-66.3	128.6	175.1	-74.2	175.7	0	0	0	111.2	L455 K458 R459 L492 I503	L455-L498 HydrophobicContact CD1-CD2 3.67Å; K458-L498 HydrophobicContact CB-CD1 4.2Å; K458-L498 HydrophobicContact CB-CD2 3.92Å; K458-L498 HydrophobicContact CB-CG 3.8Å; R459-L498 VanDerWaalsContact CA-CD1 3.42Å; R459-L498 HydrophobicContact CB-CD1 3.92Å; L492-L498 HydrophobicContact CD2-CD2 4.2Å; L498-I503 HydrophobicContact CB-CG1 4.11Å; L498-I503 HydrophobicContact CD1-CG1 4.41Å
499	S	95.9	Very high	92.9	Very high	23 Å²	23	47.8 Å²	47.8	16%	0.161	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-75.5	172.3	166.8	77.2	0	0	0	0	111	A490 A491 N497 V501 G502 I503	A490-S499 PolarHBondContact O-OG 2.84Å; A491-S499 PolarHBondContact O-N 2.65Å; A491-S499 PolarHBondContact O-OG 3.4Å; N497-S499 PolarHBondContact O-N 3.3Å; S499-V501 VanDerWaalsContact C-N 3.25Å; S499-V501 PolarHBondContact O-N 3.29Å; S499-V501 PolarHBondContact OG-N 3.4Å; S499-G502 PolarHBondContact O-N 3.37Å; S499-G502 VanDerWaalsContact O-N 3.09Å; S499-G502 PolarHBondContact OG-N 3.45Å; S499-I503 WeakPolarHBondContact O-CG1 3.2Å; S499-I503 PolarHBondContact O-N 2.88Å
500	E	93.8	Very high	92.7	Very high	164 Å²	164	47.6 Å²	47.6	77%	0.766	26%	0.263	S	S	*	.	H	α-helix	trans	-57.2	-40.6	171.4	-65.1	-178.4	173.7	0	0	111.9	I503 I504	E500-I503 PolarHBondContact O-N 3.18Å; E500-I504 WeakPolarHBondContact O-CG1 3.06Å; E500-I504 PolarHBondContact O-N 3.3Å; E500-I504 VanDerWaalsContact O-N 3.09Å
501	V	95.3	Very high	92.6	Very high	39 Å²	39	50.6 Å²	50.6	24%	0.236	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-42.2	174.9	176.5	0	0	0	0	110.3	S499 I503 I504 M505 K516 I519	S499-V501 VanDerWaalsContact C-N 3.25Å; S499-V501 PolarHBondContact O-N 3.29Å; S499-V501 PolarHBondContact OG-N 3.4Å; V501-I503 VanDerWaalsContact C-N 3.33Å; V501-I503 PolarHBondContact O-N 2.75Å; V501-I504 PolarHBondContact O-N 2.89Å; V501-M505 HydrophobicContact CG1-CG 4.17Å; V501-M505 HydrophobicContact CG1-SD 3.77Å; V501-M505 WeakPolarHBondContact O-CB 3.28Å; V501-M505 WeakPolarHBondContact O-CG 3.32Å; V501-M505 PolarHBondContact O-N 2.82Å; V501-K516 HydrophobicContact CG1-CD 4.06Å; V501-I519 HydrophobicContact CG1-CD1 4.44Å
502	G	95.3	Very high	92.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-38.8	176.6	0	0	0	0	0	113.2	A491 S499 M505 S506	A491-G502 WeakPolarHBondContact O-CA 3.39Å; S499-G502 PolarHBondContact O-N 3.37Å; S499-G502 VanDerWaalsContact O-N 3.09Å; S499-G502 PolarHBondContact OG-N 3.45Å; G502-M505 PolarHBondContact O-N 2.98Å; G502-S506 PolarHBondContact O-N 2.83Å
503	I	93.4	Very high	92.7	Very high	65 Å²	65	51.6 Å²	51.6	33%	0.333	28%	0.276	S	S	.	.	H	α-helix	trans	-60.5	-50.9	173.5	-71.6	169	0	0	0	110.4	L498 S499 E500 V501 M505 S506 E507	L498-I503 HydrophobicContact CB-CG1 4.11Å; L498-I503 HydrophobicContact CD1-CG1 4.41Å; S499-I503 WeakPolarHBondContact O-CG1 3.2Å; S499-I503 PolarHBondContact O-N 2.88Å; E500-I503 PolarHBondContact O-N 3.18Å; V501-I503 VanDerWaalsContact C-N 3.33Å; V501-I503 PolarHBondContact O-N 2.75Å; I503-M505 VanDerWaalsContact C-N 3.34Å; I503-M505 PolarHBondContact O-N 2.93Å; I503-S506 PolarHBondContact O-N 2.85Å; I503-S506 PolarHBondContact O-OG 2.91Å; I503-E507 PolarHBondContact O-N 3.32Å
504	I	94.4	Very high	92.9	Very high	48 Å²	48	49.1 Å²	49.1	25%	0.246	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-42.4	179.3	-63.6	167	0	0	0	110.6	E500 V501 S506 E507 I519 I615 L617	E500-I504 WeakPolarHBondContact O-CG1 3.06Å; E500-I504 PolarHBondContact O-N 3.3Å; E500-I504 VanDerWaalsContact O-N 3.09Å; V501-I504 PolarHBondContact O-N 2.89Å; I504-S506 VanDerWaalsContact C-N 3.29Å; I504-S506 PolarHBondContact O-N 2.93Å; I504-E507 PolarHBondContact O-N 2.95Å; I504-I519 HydrophobicContact CB-CD1 4.07Å; I504-I519 HydrophobicContact CG2-CD1 3.59Å; I504-I519 HydrophobicContact CG2-CG1 3.82Å; I504-I615 HydrophobicContact CG2-CD1 3.99Å; I504-L617 HydrophobicContact CG2-CD1 3.93Å; I504-L617 HydrophobicContact CG2-CD2 4.45Å
505	M	95.3	Very high	93.3	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-40.9	176.4	-76	174.5	53.7	0	0	112	L455 L489 A491 V501 G502 I503 E507 L508 P512 A515 K516 I519	L455-M505 HydrophobicContact CD2-CB 4.19Å; L489-M505 HydrophobicContact CB-CE 4.39Å; L489-M505 HydrophobicContact CD1-CE 4.19Å; A491-M505 HydrophobicContact CB-CE 3.95Å; A491-M505 HydrophobicContact CB-SD 3.86Å; V501-M505 HydrophobicContact CG1-CG 4.17Å; V501-M505 HydrophobicContact CG1-SD 3.77Å; V501-M505 WeakPolarHBondContact O-CB 3.28Å; V501-M505 WeakPolarHBondContact O-CG 3.32Å; V501-M505 PolarHBondContact O-N 2.82Å; G502-M505 PolarHBondContact O-N 2.98Å; I503-M505 VanDerWaalsContact C-N 3.34Å; I503-M505 PolarHBondContact O-N 2.93Å; M505-E507 PolarHBondContact O-N 3.19Å; M505-L508 PolarHBondContact O-N 2.54Å; M505-P512 HydrophobicContact CE-CB 3.57Å; M505-P512 VanDerWaalsContact CE-O 3.29Å; M505-P512 WeakPolarHBondContact CE-O 3.43Å; M505-A515 HydrophobicContact CB-CB 4.26Å; M505-A515 HydrophobicContact CG-CB 4.1Å; M505-K516 HydrophobicContact CE-CB 4.41Å; M505-K516 HydrophobicContact SD-CB 4.1Å; M505-K516 HydrophobicContact SD-CD 4.39Å; M505-I519 HydrophobicContact CB-CD1 4.31Å; M505-I519 HydrophobicContact CG-CD1 3.38Å
506	S	92.1	Very high	93.8	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-68.3	-16.9	-179.6	71.2	0	0	0	0	114.6	M174 R459 G502 I503 I504	M174-S506 WeakPolarHBondContact CE-O 3.44Å; R459-S506 VanDerWaalsContact CD-OG 3.23Å; R459-S506 WeakPolarHBondContact CD-OG 3.27Å; R459-S506 PolarHBondContact NE-OG 2.8Å; G502-S506 PolarHBondContact O-N 2.83Å; I503-S506 PolarHBondContact O-N 2.85Å; I503-S506 PolarHBondContact O-OG 2.91Å; I504-S506 VanDerWaalsContact C-N 3.29Å; I504-S506 PolarHBondContact O-N 2.93Å
507	E	90.4	Very high	94.3	Very high	52 Å²	52	35.1 Å²	35.1	24%	0.243	18%	0.182	C	C	.	.	H	α-helix	trans	-85.6	-17.3	176.5	-66.6	-67.3	147.8	0	0	112.7	R459 I503 I504 M505 V611 R614 I615	R459-E507 IonicContact CZ-OE1 2.84Å; R459-E507 IonicContact NE-OE1 3.43Å; R459-E507 IonicContact NH2-OE1 3.71Å; R459-E507 PolarHBondContact NH2-OE1 2.86Å; I503-E507 PolarHBondContact O-N 3.32Å; I504-E507 PolarHBondContact O-N 2.95Å; M505-E507 PolarHBondContact O-N 3.19Å; E507-V611 WeakPolarHBondContact O-CG1 3.49Å; E507-R614 IonicContact OE2-NH2 3.59Å; E507-R614 PolarHBondContact OE2-NH2 3.19Å; E507-I615 HydrophobicContact CB-CD1 4.5Å; E507-I615 HydrophobicContact CB-CG2 4.46Å
508	L	91.6	Very high	94.6	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	16%	0.164	C	C	.	.	S	Bend	trans	-90.1	128.6	-179.9	-65.7	169.9	0	0	0	109.7	M505 L510 A515 L518 I519 V611 M612	M505-L508 PolarHBondContact O-N 2.54Å; L508-L510 HydrophobicContact CB-CD1 4.44Å; L508-L510 PolarHBondContact O-N 3.11Å; L508-A515 HydrophobicContact CB-CB 4.28Å; L508-A515 HydrophobicContact CD1-CB 4.06Å; L508-L518 HydrophobicContact CD1-CD2 4.44Å; L508-L518 HydrophobicContact CD2-CD2 4.44Å; L508-I519 HydrophobicContact CD1-CD1 4.19Å; L508-I519 HydrophobicContact CD1-CG1 4.01Å; L508-V611 HydrophobicContact CD2-CG1 3.83Å; L508-M612 HydrophobicContact CD2-CG 4.34Å
509	P	89.7	Confident	94.8	Very high	46 Å²	46	30.9 Å²	30.9	30%	0.299	16%	0.159	S	C	.	.	S	Bend	trans	-77.6	58.8	177.7	33.9	-36.8	0	0	0	111	L608	P509-L608 HydrophobicContact CG-CD2 3.98Å
510	L	92.8	Very high	94.9	Very high	6 Å²	6	30 Å²	30	3%	0.031	15%	0.153	C	C	.	.	S	Bend	trans	-138.5	151.7	-174.1	-65.1	175.1	0	0	0	110.5	L508 L514 A515 L518 A534 T538 L608	L508-L510 HydrophobicContact CB-CD1 4.44Å; L508-L510 PolarHBondContact O-N 3.11Å; L510-L514 HydrophobicContact CB-CB 4.5Å; L510-L514 HydrophobicContact CD1-CG 4.33Å; L510-L514 HydrophobicContact CD2-CD2 3.97Å; L510-L514 HydrophobicContact CD2-CG 4.43Å; L510-A515 HydrophobicContact CB-CB 4.13Å; L510-L518 HydrophobicContact CD1-CD2 3.79Å; L510-A534 HydrophobicContact CD1-CB 4.37Å; L510-T538 HydrophobicContact CD2-CG2 4.42Å; L510-T538 VanDerWaalsContact CD2-OG1 3.25Å; L510-T538 WeakPolarHBondContact CD2-OG1 3.38Å; L510-L608 HydrophobicContact CD1-CD1 4.27Å; L510-L608 HydrophobicContact CD1-CD2 3.82Å; L510-L608 HydrophobicContact CD2-CD1 4.14Å; L510-L608 HydrophobicContact CD2-CD2 4.05Å; L510-L608 HydrophobicContact CG-CD2 3.81Å
511	E	92.9	Very high	95.1	Very high	109 Å²	109	22.2 Å²	22.2	51%	0.509	12%	0.117	S	C	.	.			trans	-56.2	140.3	168.7	-74.3	-64	142.7	0	0	110.9	P513 L514 A515	E511-P513 VanDerWaalsContact C-CD 3.48Å; E511-P513 VanDerWaalsContact O-N 3.12Å; E511-L514 WeakPolarHBondContact O-CA 3.47Å; E511-L514 PolarHBondContact O-N 2.94Å; E511-A515 PolarHBondContact O-N 3.42Å
512	P	96.3	Very high	95.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-51.4	-42.2	-171.6	-25.6	31.4	0	0	0	115.1	L455 L486 L489 M505 L514 A515 K516	L455-P512 HydrophobicContact CD2-CG 4.24Å; L486-P512 HydrophobicContact CD2-CB 3.85Å; L486-P512 HydrophobicContact CD2-CG 4.05Å; L489-P512 HydrophobicContact CD1-CB 3.79Å; M505-P512 HydrophobicContact CE-CB 3.57Å; M505-P512 VanDerWaalsContact CE-O 3.29Å; M505-P512 WeakPolarHBondContact CE-O 3.43Å; P512-L514 VanDerWaalsContact C-N 3.34Å; P512-L514 PolarHBondContact O-N 3.32Å; P512-A515 PolarHBondContact O-N 2.78Å; P512-K516 WeakPolarHBondContact O-CB 3.49Å; P512-K516 PolarHBondContact O-N 3.5Å
513	P	96.6	Very high	95.2	Very high	32 Å²	32	28.1 Å²	28.1	21%	0.208	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-40.2	174.1	-28.6	39	0	0	0	114.1	L489 E511 A517 G640 F641	L489-P513 HydrophobicContact CD1-CG 4.25Å; E511-P513 VanDerWaalsContact C-CD 3.48Å; E511-P513 VanDerWaalsContact O-N 3.12Å; P513-A517 PolarHBondContact O-N 3.38Å; P513-G640 WeakPolarHBondContact CB-O 3.34Å; P513-G640 VanDerWaalsContact O-CA 3.25Å; P513-G640 WeakPolarHBondContact O-CA 3.45Å; P513-F641 HydrophobicContact CB-CD1 3.88Å; P513-F641 HydrophobicContact CB-CE1 3.62Å; P513-F641 HydrophobicContact CB-CE2 4.45Å; P513-F641 HydrophobicContact CB-CG 4.42Å; P513-F641 HydrophobicContact CB-CZ 3.93Å
514	L	97.4	Very high	95.3	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-75.9	-38.8	-178.5	-172	55.3	0	0	0	111.2	L510 E511 P512 A517 L518 A534 L537 F641	L510-L514 HydrophobicContact CB-CB 4.5Å; L510-L514 HydrophobicContact CD1-CG 4.33Å; L510-L514 HydrophobicContact CD2-CD2 3.97Å; L510-L514 HydrophobicContact CD2-CG 4.43Å; E511-L514 WeakPolarHBondContact O-CA 3.47Å; E511-L514 PolarHBondContact O-N 2.94Å; P512-L514 VanDerWaalsContact C-N 3.34Å; P512-L514 PolarHBondContact O-N 3.32Å; L514-A517 PolarHBondContact O-N 3.18Å; L514-L518 PolarHBondContact O-N 3.44Å; L514-A534 HydrophobicContact CD1-CB 3.98Å; L514-A534 HydrophobicContact CD2-CB 4.09Å; L514-A534 HydrophobicContact CG-CB 4.03Å; L514-L537 HydrophobicContact CD1-CD1 4.21Å; L514-L537 HydrophobicContact CD2-CB 4.3Å; L514-F641 HydrophobicContact CB-CE2 4.36Å; L514-F641 HydrophobicContact CB-CZ 3.92Å; L514-F641 HydrophobicContact CD1-CE2 3.99Å; L514-F641 HydrophobicContact CD1-CZ 4.08Å
515	A	97.3	Very high	95.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58	-47.2	170.8	0	0	0	0	0	111.1	M505 L508 L510 E511 P512 A517 L518 I519	M505-A515 HydrophobicContact CB-CB 4.26Å; M505-A515 HydrophobicContact CG-CB 4.1Å; L508-A515 HydrophobicContact CB-CB 4.28Å; L508-A515 HydrophobicContact CD1-CB 4.06Å; L510-A515 HydrophobicContact CB-CB 4.13Å; E511-A515 PolarHBondContact O-N 3.42Å; P512-A515 PolarHBondContact O-N 2.78Å; A515-A517 PolarHBondContact O-N 2.72Å; A515-L518 PolarHBondContact O-N 2.63Å; A515-I519 VanDerWaalsContact O-CG1 3.3Å; A515-I519 WeakPolarHBondContact O-CG1 3.47Å; A515-I519 PolarHBondContact O-N 3.23Å
516	K	97.8	Very high	95.5	Very high	35 Å²	35	30 Å²	30	15%	0.152	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-43.7	176.2	177.5	61.7	176.8	-165.1	0	112.3	L489 V501 M505 P512 I519 A520 S639	L489-K516 HydrophobicContact CD2-CB 4.03Å; L489-K516 HydrophobicContact CD2-CG 3.98Å; L489-K516 WeakPolarHBondContact O-CD 3.2Å; L489-K516 WeakPolarHBondContact O-CE 3.41Å; L489-K516 PolarHBondContact O-NZ 3.08Å; L489-K516 VanDerWaalsContact O-NZ 3.17Å; V501-K516 HydrophobicContact CG1-CD 4.06Å; M505-K516 HydrophobicContact CE-CB 4.41Å; M505-K516 HydrophobicContact SD-CB 4.1Å; M505-K516 HydrophobicContact SD-CD 4.39Å; P512-K516 WeakPolarHBondContact O-CB 3.49Å; P512-K516 PolarHBondContact O-N 3.5Å; K516-I519 PolarHBondContact O-N 3.25Å; K516-A520 WeakPolarHBondContact O-CB 3.48Å; K516-A520 PolarHBondContact O-N 3.4Å; K516-S639 WeakPolarHBondContact CG-O 3.41Å
517	A	98	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-46.2	176.4	0	0	0	0	0	110.9	P513 L514 A515 I519 A520 A521 L530 A636 F641	P513-A517 PolarHBondContact O-N 3.38Å; L514-A517 PolarHBondContact O-N 3.18Å; A515-A517 PolarHBondContact O-N 2.72Å; A517-I519 VanDerWaalsContact C-N 3.34Å; A517-I519 PolarHBondContact O-N 2.97Å; A517-A520 PolarHBondContact O-N 2.99Å; A517-A520 VanDerWaalsContact O-N 3.13Å; A517-A521 PolarHBondContact O-N 2.9Å; A517-L530 HydrophobicContact CB-CD2 3.97Å; A517-L530 WeakPolarHBondContact O-CD2 3.45Å; A517-A636 WeakPolarHBondContact CA-O 3.32Å; A517-A636 WeakPolarHBondContact CB-O 3.36Å; A517-F641 HydrophobicContact CB-CD2 4.34Å; A517-F641 HydrophobicContact CB-CE2 4.12Å
518	L	97.9	Very high	96.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-41.9	179.1	-173.2	58.2	0	0	0	112.3	L508 L510 L514 A515 A521 L530 L531 M612	L508-L518 HydrophobicContact CD1-CD2 4.44Å; L508-L518 HydrophobicContact CD2-CD2 4.44Å; L510-L518 HydrophobicContact CD1-CD2 3.79Å; L514-L518 PolarHBondContact O-N 3.44Å; A515-L518 PolarHBondContact O-N 2.63Å; L518-A521 PolarHBondContact O-N 3.36Å; L518-L530 HydrophobicContact CD1-CB 4.44Å; L518-L531 HydrophobicContact CD1-CB 4.1Å; L518-M612 HydrophobicContact CD1-CE 4.48Å; L518-M612 HydrophobicContact CD1-SD 3.95Å; L518-M612 HydrophobicContact CD2-SD 3.87Å; L518-M612 HydrophobicContact CG-CE 4.38Å; L518-M612 HydrophobicContact CG-SD 3.87Å
519	I	97.6	Very high	96.4	Very high	15 Å²	15	29.4 Å²	29.4	8%	0.077	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-43.7	173.8	-64.9	163.4	0	0	0	110.6	V501 I504 M505 L508 A515 K516 A517 A521 C522	V501-I519 HydrophobicContact CG1-CD1 4.44Å; I504-I519 HydrophobicContact CB-CD1 4.07Å; I504-I519 HydrophobicContact CG2-CD1 3.59Å; I504-I519 HydrophobicContact CG2-CG1 3.82Å; M505-I519 HydrophobicContact CB-CD1 4.31Å; M505-I519 HydrophobicContact CG-CD1 3.38Å; L508-I519 HydrophobicContact CD1-CD1 4.19Å; L508-I519 HydrophobicContact CD1-CG1 4.01Å; A515-I519 VanDerWaalsContact O-CG1 3.3Å; A515-I519 WeakPolarHBondContact O-CG1 3.47Å; A515-I519 PolarHBondContact O-N 3.23Å; K516-I519 PolarHBondContact O-N 3.25Å; A517-I519 VanDerWaalsContact C-N 3.34Å; A517-I519 PolarHBondContact O-N 2.97Å; I519-A521 VanDerWaalsContact C-N 3.26Å; I519-A521 PolarHBondContact O-N 2.61Å; I519-C522 WeakPolarHBondContact O-CB 3.5Å; I519-C522 PolarHBondContact O-N 3.29Å; I519-C522 VanDerWaalsContact O-N 3.16Å
520	A	97.5	Very high	96.7	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.033	14%	0.135	C	C	.	.	H	α-helix	trans	-65.6	-26.6	178.4	0	0	0	0	0	113.2	K516 A517 C522 E523 Y524	K516-A520 WeakPolarHBondContact O-CB 3.48Å; K516-A520 PolarHBondContact O-N 3.4Å; A517-A520 PolarHBondContact O-N 2.99Å; A517-A520 VanDerWaalsContact O-N 3.13Å; A520-C522 PolarHBondContact O-N 3.35Å; A520-E523 WeakPolarHBondContact O-CB 3.5Å; A520-E523 PolarHBondContact O-N 3.45Å; A520-Y524 HydrophobicContact CB-CE2 4.2Å; A520-Y524 WeakPolarHBondContact O-CD2 3.36Å; A520-Y524 PolarHBondContact O-N 2.89Å
521	A	97.8	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-22.9	174.9	0	0	0	0	0	113.6	A517 L518 I519 E523 Y524 D525 C526 V527 L530 A636	A517-A521 PolarHBondContact O-N 2.9Å; L518-A521 PolarHBondContact O-N 3.36Å; I519-A521 VanDerWaalsContact C-N 3.26Å; I519-A521 PolarHBondContact O-N 2.61Å; A521-E523 VanDerWaalsContact C-N 3.29Å; A521-Y524 PolarHBondContact O-N 3.43Å; A521-D525 PolarHBondContact O-N 3.09Å; A521-D525 VanDerWaalsContact O-N 3.09Å; A521-C526 PolarHBondContact O-N 3.36Å; A521-C526 VanDerWaalsContact O-N 3.12Å; A521-V527 HydrophobicContact CB-CG2 4.22Å; A521-V527 WeakPolarHBondContact O-CG2 3.44Å; A521-L530 HydrophobicContact CB-CB 3.81Å; A521-L530 HydrophobicContact CB-CD2 3.51Å; A521-L530 HydrophobicContact CB-CG 4.3Å; A521-A636 HydrophobicContact CB-CB 4.05Å
522	C	96.9	Very high	97.2	Very high	20 Å²	20	22 Å²	22	14%	0.135	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-37.8	170.8	-62.5	0	0	0	0	111.6	I519 A520 V527 P618	I519-C522 WeakPolarHBondContact O-CB 3.5Å; I519-C522 PolarHBondContact O-N 3.29Å; I519-C522 VanDerWaalsContact O-N 3.16Å; A520-C522 PolarHBondContact O-N 3.35Å; C522-V527 HydrophobicContact CB-CG2 4.42Å; C522-P618 HydrophobicContact CB-CG 3.86Å
523	E	95.5	Very high	97.3	Very high	143 Å²	143	22 Å²	22	67%	0.668	11%	0.111	S	C	*	.	H	α-helix	trans	-76.7	-26	179.6	-59.9	177.5	-175	0	0	112.6	A520 A521	A520-E523 WeakPolarHBondContact O-CB 3.5Å; A520-E523 PolarHBondContact O-N 3.45Å; A521-E523 VanDerWaalsContact C-N 3.29Å
524	Y	96.4	Very high	97.4	Very high	45 Å²	45	20.5 Å²	20.5	18%	0.176	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	10.4	-176.7	-56.4	-55.6	0	0	0	114	A520 A521 C526 N632 R635 A636 L719	A520-Y524 HydrophobicContact CB-CE2 4.2Å; A520-Y524 WeakPolarHBondContact O-CD2 3.36Å; A520-Y524 PolarHBondContact O-N 2.89Å; A521-Y524 PolarHBondContact O-N 3.43Å; Y524-C526 VanDerWaalsContact C-N 3.34Å; Y524-C526 PolarHBondContact O-N 2.69Å; Y524-N632 VanDerWaalsContact O-CB 3.23Å; Y524-N632 WeakPolarHBondContact O-CB 3.32Å; Y524-N632 PolarHBondContact O-ND2 2.98Å; Y524-R635 HydrophobicContact CD1-CB 4.19Å; Y524-R635 HydrophobicContact CD2-CB 3.8Å; Y524-R635 HydrophobicContact CE1-CB 4.11Å; Y524-R635 HydrophobicContact CE2-CB 3.69Å; Y524-R635 HydrophobicContact CG-CB 4.06Å; Y524-A636 HydrophobicContact CD2-CB 3.9Å; Y524-L719 VanDerWaalsContact OH-CD2 3.28Å; Y524-L719 WeakPolarHBondContact OH-CD2 3.49Å
525	D	96.1	Very high	97.4	Very high	110 Å²	110	20.2 Å²	20.2	59%	0.588	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	46.1	178.8	-63.3	-49	0	0	0	113.9	A521 S620	A521-D525 PolarHBondContact O-N 3.09Å; A521-D525 VanDerWaalsContact O-N 3.09Å; D525-S620 PolarHBondContact O-OG 3.45Å
526	C	97.4	Very high	97.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.			trans	-136.6	31.6	178.8	61.6	0	0	0	0	113.6	A521 Y524 E529 L530 S620 N632 I633	A521-C526 PolarHBondContact O-N 3.36Å; A521-C526 VanDerWaalsContact O-N 3.12Å; Y524-C526 VanDerWaalsContact C-N 3.34Å; Y524-C526 PolarHBondContact O-N 2.69Å; C526-E529 WeakPolarHBondContact CA-OE2 3.18Å; C526-E529 PolarHBondContact O-N 3.48Å; C526-L530 PolarHBondContact O-N 3.11Å; C526-S620 PolarHBondContact N-OG 3.3Å; C526-N632 HydrophobicContact CB-CB 4.15Å; C526-I633 HydrophobicContact CB-CG1 3.93Å
527	V	97.6	Very high	97.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-47.7	-174.1	179.1	0	0	0	0	111.8	A521 C522 E529 L530 L531 M612 V619 S620	A521-V527 HydrophobicContact CB-CG2 4.22Å; A521-V527 WeakPolarHBondContact O-CG2 3.44Å; C522-V527 HydrophobicContact CB-CG2 4.42Å; V527-E529 VanDerWaalsContact C-N 3.28Å; V527-E529 PolarHBondContact O-N 3.24Å; V527-L530 PolarHBondContact O-N 3.21Å; V527-L531 WeakPolarHBondContact O-CB 3.49Å; V527-L531 PolarHBondContact O-N 3.25Å; V527-M612 HydrophobicContact CG1-CE 3.56Å; V527-M612 HydrophobicContact CG1-SD 4.02Å; V527-V619 HydrophobicContact CB-CG1 4.48Å; V527-V619 HydrophobicContact CG1-CB 4.45Å; V527-V619 HydrophobicContact CG1-CG1 4.03Å; V527-V619 HydrophobicContact CG1-CG2 4.45Å; V527-S620 PolarHBondContact N-OG 3.03Å
528	E	96.4	Very high	97.2	Very high	41 Å²	41	22.7 Å²	22.7	19%	0.192	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-38.2	-178.1	-74.9	-79.6	-176.6	0	0	112.9	T532 R605 V619 S620 P622	E528-T532 PolarHBondContact O-N 3.35Å; E528-T532 PolarHBondContact O-OG1 3.09Å; E528-R605 IonicContact OE2-CZ 3.81Å; E528-R605 IonicContact OE2-NH1 3.14Å; E528-R605 IonicContact OE2-NH2 2.63Å; E528-R605 PolarHBondContact OE2-NH2 3.27Å; E528-V619 HydrophobicContact CG-CG1 4.4Å; E528-S620 WeakPolarHBondContact CG-O 3.18Å; E528-P622 HydrophobicContact CB-CB 4.19Å; E528-P622 HydrophobicContact CG-CB 4.45Å
529	E	97.6	Very high	96.9	Very high	4 Å²	4	23 Å²	23	2%	0.019	12%	0.118	C	C	.	.	H	α-helix	trans	-72.2	-47.1	176.3	-69	84.6	-157.2	0	0	111.8	C526 V527 L531 T532 I533 I572 P622 A623 F624 N629 I633	C526-E529 WeakPolarHBondContact CA-OE2 3.18Å; C526-E529 PolarHBondContact O-N 3.48Å; V527-E529 VanDerWaalsContact C-N 3.28Å; V527-E529 PolarHBondContact O-N 3.24Å; E529-L531 VanDerWaalsContact C-N 3.32Å; E529-L531 PolarHBondContact O-N 3.26Å; E529-T532 WeakPolarHBondContact O-CB 3.48Å; E529-T532 PolarHBondContact O-N 3.47Å; E529-T532 VanDerWaalsContact O-N 3.17Å; E529-I533 WeakPolarHBondContact O-CG1 3.43Å; E529-I533 PolarHBondContact O-N 3.17Å; E529-I572 HydrophobicContact CB-CD1 3.74Å; E529-I572 HydrophobicContact CG-CD1 4.11Å; E529-P622 WeakPolarHBondContact OE1-CA 3.32Å; E529-A623 PolarHBondContact OE1-N 3.2Å; E529-F624 HydrophobicContact CG-CB 3.73Å; E529-F624 HydrophobicContact CG-CD2 3.97Å; E529-F624 HydrophobicContact CG-CG 4.23Å; E529-F624 PolarHBondContact OE1-N 3.43Å; E529-N629 PolarHBondContact OE2-ND2 2.7Å; E529-I633 HydrophobicContact CB-CD1 3.65Å; E529-I633 HydrophobicContact CB-CG1 3.97Å; E529-I633 HydrophobicContact CG-CD1 3.9Å
530	L	97.9	Very high	96.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-71.8	-30	-176.9	-162.2	66.3	0	0	0	112.5	A517 L518 A521 C526 V527 T532 I533 A534 A636 L637	A517-L530 HydrophobicContact CB-CD2 3.97Å; A517-L530 WeakPolarHBondContact O-CD2 3.45Å; L518-L530 HydrophobicContact CD1-CB 4.44Å; A521-L530 HydrophobicContact CB-CB 3.81Å; A521-L530 HydrophobicContact CB-CD2 3.51Å; A521-L530 HydrophobicContact CB-CG 4.3Å; C526-L530 PolarHBondContact O-N 3.11Å; V527-L530 PolarHBondContact O-N 3.21Å; L530-T532 VanDerWaalsContact C-N 3.3Å; L530-I533 HydrophobicContact CD1-CB 4.19Å; L530-I533 HydrophobicContact CD1-CD1 4.01Å; L530-I533 HydrophobicContact CD1-CG2 4.3Å; L530-I533 PolarHBondContact O-N 3.49Å; L530-A534 VanDerWaalsContact O-CB 3.3Å; L530-A534 WeakPolarHBondContact O-CB 3.05Å; L530-A534 PolarHBondContact O-N 3.39Å; L530-A636 HydrophobicContact CD2-CB 3.71Å; L530-L637 HydrophobicContact CD1-CD2 3.72Å; L530-L637 HydrophobicContact CD1-CG 4.02Å
531	L	97.6	Very high	96.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-37.7	171.1	-172	150.7	0	0	0	111.2	L518 V527 E529 A535 R605 L608 L609 M612	L518-L531 HydrophobicContact CD1-CB 4.1Å; V527-L531 WeakPolarHBondContact O-CB 3.49Å; V527-L531 PolarHBondContact O-N 3.25Å; E529-L531 VanDerWaalsContact C-N 3.32Å; E529-L531 PolarHBondContact O-N 3.26Å; L531-A535 WeakPolarHBondContact O-CB 3.13Å; L531-A535 PolarHBondContact O-N 3.28Å; L531-R605 HydrophobicContact CD2-CB 4.04Å; L531-R605 HydrophobicContact CD2-CG 3.36Å; L531-R605 WeakPolarHBondContact CD2-O 3.22Å; L531-L608 HydrophobicContact CG-CB 4.38Å; L531-L609 HydrophobicContact CD1-CB 3.85Å; L531-L609 HydrophobicContact CD1-CD1 4.06Å; L531-M612 HydrophobicContact CD1-SD 3.89Å
532	T	98.4	Very high	95.9	Very high	5 Å²	5	30 Å²	30	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-65.6	-45.3	171.6	-54.1	0	0	0	0	111.6	E528 E529 L530 A535 M536 I572 Y575 R605	E528-T532 PolarHBondContact O-N 3.35Å; E528-T532 PolarHBondContact O-OG1 3.09Å; E529-T532 WeakPolarHBondContact O-CB 3.48Å; E529-T532 PolarHBondContact O-N 3.47Å; E529-T532 VanDerWaalsContact O-N 3.17Å; L530-T532 VanDerWaalsContact C-N 3.3Å; T532-A535 PolarHBondContact O-N 3.18Å; T532-M536 HydrophobicContact CG2-CG 4.44Å; T532-M536 WeakPolarHBondContact O-CB 3.34Å; T532-M536 WeakPolarHBondContact O-CG 3.41Å; T532-M536 PolarHBondContact O-N 3.36Å; T532-I572 HydrophobicContact CG2-CG1 4.49Å; T532-Y575 HydrophobicContact CG2-CD1 3.43Å; T532-Y575 VanDerWaalsContact CG2-CD1 3.43Å; T532-Y575 HydrophobicContact CG2-CD2 4.26Å; T532-Y575 HydrophobicContact CG2-CE1 4.11Å; T532-Y575 HydrophobicContact CG2-CG 3.51Å; T532-R605 PolarHBondContact OG1-NE 3.08Å
533	I	98.4	Very high	95.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.1	-48.5	175.6	-70	167.2	0	0	0	110.5	E529 L530 A535 M536 L537 H568 I572 I633	E529-I533 WeakPolarHBondContact O-CG1 3.43Å; E529-I533 PolarHBondContact O-N 3.17Å; L530-I533 HydrophobicContact CD1-CB 4.19Å; L530-I533 HydrophobicContact CD1-CD1 4.01Å; L530-I533 HydrophobicContact CD1-CG2 4.3Å; L530-I533 PolarHBondContact O-N 3.49Å; I533-A535 VanDerWaalsContact C-N 3.32Å; I533-A535 PolarHBondContact O-N 2.82Å; I533-M536 PolarHBondContact O-N 3.22Å; I533-L537 HydrophobicContact CG2-CD1 3.52Å; I533-L537 HydrophobicContact CG2-CG 4.15Å; I533-L537 WeakPolarHBondContact O-CB 3.32Å; I533-L537 VanDerWaalsContact O-CG 3.25Å; I533-L537 WeakPolarHBondContact O-CG 3.43Å; I533-L537 PolarHBondContact O-N 3.36Å; I533-H568 HydrophobicContact CD1-CB 4.16Å; I533-I572 HydrophobicContact CD1-CD1 3.71Å; I533-I572 HydrophobicContact CD1-CG1 4.14Å; I533-I572 HydrophobicContact CG1-CD1 3.86Å; I533-I572 HydrophobicContact CG1-CG1 3.7Å; I533-I633 HydrophobicContact CD1-CG2 3.7Å
534	A	98.1	Very high	95.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.4	-44.1	-178.9	0	0	0	0	0	111.5	L510 L514 L530 L537 T538 L608	L510-A534 HydrophobicContact CD1-CB 4.37Å; L514-A534 HydrophobicContact CD1-CB 3.98Å; L514-A534 HydrophobicContact CD2-CB 4.09Å; L514-A534 HydrophobicContact CG-CB 4.03Å; L530-A534 VanDerWaalsContact O-CB 3.3Å; L530-A534 WeakPolarHBondContact O-CB 3.05Å; L530-A534 PolarHBondContact O-N 3.39Å; A534-L537 PolarHBondContact O-N 3.45Å; A534-T538 WeakPolarHBondContact O-CB 3.29Å; A534-T538 PolarHBondContact O-N 2.94Å; A534-T538 PolarHBondContact O-OG1 3.03Å; A534-L608 HydrophobicContact CB-CD1 4.09Å
535	A	97.9	Very high	94.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.6	-41.6	177.1	0	0	0	0	0	113.1	L531 T532 I533 L537 T538 A539 A601 I604 R605	L531-A535 WeakPolarHBondContact O-CB 3.13Å; L531-A535 PolarHBondContact O-N 3.28Å; T532-A535 PolarHBondContact O-N 3.18Å; I533-A535 VanDerWaalsContact C-N 3.32Å; I533-A535 PolarHBondContact O-N 2.82Å; A535-L537 VanDerWaalsContact C-N 3.31Å; A535-L537 PolarHBondContact O-N 3.15Å; A535-T538 PolarHBondContact O-N 3.27Å; A535-A539 WeakPolarHBondContact O-CB 3.38Å; A535-A539 PolarHBondContact O-N 3.39Å; A535-A601 VanDerWaalsContact CB-O 3.32Å; A535-A601 WeakPolarHBondContact CB-O 3.26Å; A535-I604 HydrophobicContact CB-CB 4.11Å; A535-I604 HydrophobicContact CB-CG2 3.94Å; A535-R605 HydrophobicContact CB-CB 3.68Å
536	M	97.8	Very high	94	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-68.6	-27.2	177.4	-71.1	-70.8	-67.9	0	0	113.4	T532 I533 C542 L571 V574 Y575 L598 A601	T532-M536 HydrophobicContact CG2-CG 4.44Å; T532-M536 WeakPolarHBondContact O-CB 3.34Å; T532-M536 WeakPolarHBondContact O-CG 3.41Å; T532-M536 PolarHBondContact O-N 3.36Å; I533-M536 PolarHBondContact O-N 3.22Å; M536-C542 HydrophobicContact CE-CB 4.19Å; M536-C542 VanDerWaalsContact CE-SG 3.56Å; M536-L571 HydrophobicContact CB-CB 3.98Å; M536-L571 HydrophobicContact CB-CD1 4.1Å; M536-L571 HydrophobicContact CB-CD2 4.43Å; M536-L571 HydrophobicContact CB-CG 4.39Å; M536-L571 HydrophobicContact CE-CB 4.36Å; M536-L571 HydrophobicContact CE-CD2 4.05Å; M536-L571 HydrophobicContact CG-CB 4.27Å; M536-V574 HydrophobicContact CE-CB 4.33Å; M536-V574 HydrophobicContact CE-CG1 4.01Å; M536-Y575 HydrophobicContact CG-CD2 4.49Å; M536-Y575 HydrophobicContact SD-CD2 3.99Å; M536-L598 HydrophobicContact CE-CD2 3.69Å; M536-L598 HydrophobicContact SD-CD2 3.87Å; M536-A601 HydrophobicContact CG-CB 4.41Å; M536-A601 HydrophobicContact SD-CB 3.67Å
537	L	96.6	Very high	93.2	Very high	26 Å²	26	31.6 Å²	31.6	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-83.4	-30.2	175.5	-71.1	173.7	0	0	0	113	L514 I533 A534 A535 L571 H695 I707	L514-L537 HydrophobicContact CD1-CD1 4.21Å; L514-L537 HydrophobicContact CD2-CB 4.3Å; I533-L537 HydrophobicContact CG2-CD1 3.52Å; I533-L537 HydrophobicContact CG2-CG 4.15Å; I533-L537 WeakPolarHBondContact O-CB 3.32Å; I533-L537 VanDerWaalsContact O-CG 3.25Å; I533-L537 WeakPolarHBondContact O-CG 3.43Å; I533-L537 PolarHBondContact O-N 3.36Å; A534-L537 PolarHBondContact O-N 3.45Å; A535-L537 VanDerWaalsContact C-N 3.31Å; A535-L537 PolarHBondContact O-N 3.15Å; L537-L571 HydrophobicContact CD2-CD1 3.7Å; L537-L571 HydrophobicContact CG-CD1 3.97Å; L537-H695 HydrophobicContact CD2-CB 4.42Å; L537-I707 HydrophobicContact CD2-CG1 4.21Å; L537-I707 HydrophobicContact CD2-CG2 4.14Å
538	T	94.4	Very high	92.5	Very high	51 Å²	51	36.8 Å²	36.8	31%	0.313	22%	0.222	S	C	.	.	H	α-helix	trans	-79.3	-36.1	178.8	-53.2	0	0	0	0	111.2	L510 A534 A535 I604	L510-T538 HydrophobicContact CD2-CG2 4.42Å; L510-T538 VanDerWaalsContact CD2-OG1 3.25Å; L510-T538 WeakPolarHBondContact CD2-OG1 3.38Å; A534-T538 WeakPolarHBondContact O-CB 3.29Å; A534-T538 PolarHBondContact O-N 2.94Å; A534-T538 PolarHBondContact O-OG1 3.03Å; A535-T538 PolarHBondContact O-N 3.27Å; T538-I604 HydrophobicContact CG2-CD1 4.1Å; T538-I604 HydrophobicContact CG2-CG2 4.34Å
539	A	92.1	Very high	92.1	Very high	7 Å²	7	40 Å²	40	6%	0.058	25%	0.25	C	C	.	.	S	Bend	trans	-65.2	154.7	169.8	0	0	0	0	0	111.3	A535 L600 A601 I604	A535-A539 WeakPolarHBondContact O-CB 3.38Å; A535-A539 PolarHBondContact O-N 3.39Å; A539-L600 HydrophobicContact CB-CD2 4.47Å; A539-L600 HydrophobicContact CB-CG 4.44Å; A539-A601 HydrophobicContact CB-CB 3.92Å; A539-I604 HydrophobicContact CB-CD1 3.95Å
540	P	89.1	Confident	91.7	Very high	77 Å²	77	45.7 Å²	45.7	50%	0.5	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-53.7	150.6	168	-23.3	33.9	0	0	0	111.3	C542 A597 L600	P540-C542 PolarHBondContact O-N 2.92Å; P540-C542 VanDerWaalsContact O-N 3.11Å; P540-A597 WeakPolarHBondContact O-CB 3.21Å; P540-L600 HydrophobicContact CG-CD2 4.42Å
541	S	90.3	Very high	91.2	Very high	85 Å²	85	49.6 Å²	49.6	59%	0.594	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-47.9	122	179.3	169.1	0	0	0	0	111.8	F543	S541-F543 PolarHBondContact O-N 2.97Å; S541-F543 PolarHBondContact OG-N 2.86Å; S541-F543 PolarHBondContact OG-O 3.43Å
542	C	92.6	Very high	90.9	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.034	32%	0.32	C	S	.	.	S	Bend	trans	-70.9	-18.5	176.1	65.1	0	0	0	0	112.6	M536 P540 L544 L593 S594 A597 L598	M536-C542 HydrophobicContact CE-CB 4.19Å; M536-C542 VanDerWaalsContact CE-SG 3.56Å; P540-C542 PolarHBondContact O-N 2.92Å; P540-C542 VanDerWaalsContact O-N 3.11Å; C542-L544 PolarHBondContact O-N 2.8Å; C542-L593 CarbonylContact O-C 3.47Å; C542-L593 VanDerWaalsContact O-CA 3.22Å; C542-L593 WeakPolarHBondContact O-CA 3.42Å; C542-S594 PolarHBondContact O-N 3.45Å; C542-A597 HydrophobicContact CB-CB 4.37Å; C542-L598 HydrophobicContact CB-CD2 3.79Å; C542-L598 HydrophobicContact CB-CG 4.01Å
543	F	91.7	Very high	90.5	Very high	52 Å²	52	58.4 Å²	58.4	23%	0.228	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-79.2	118.8	176.5	-63.4	-83.7	0	0	0	110.2	S541 W558 T570 L571 V574 L593	S541-F543 PolarHBondContact O-N 2.97Å; S541-F543 PolarHBondContact OG-N 2.86Å; S541-F543 PolarHBondContact OG-O 3.43Å; F543-W558 HydrophobicContact CB-CZ2 4.46Å; F543-W558 HydrophobicContact CD1-CD2 4.05Å; F543-W558 AromaticContact CD1-CE2 3.75Å; F543-W558 HydrophobicContact CD1-CG 4.43Å; F543-W558 HydrophobicContact CD1-CH2 4.5Å; F543-W558 AromaticContact CD1-CZ2 4Å; F543-W558 HydrophobicContact CD1-CZ2 4Å; F543-W558 AromaticContact CD1-NE1 3.94Å; F543-W558 HydrophobicContact CE1-CD2 4.27Å; F543-W558 HydrophobicContact CE1-CG 4.25Å; F543-T570 HydrophobicContact CZ-CG2 4.4Å; F543-L571 HydrophobicContact CE2-CD2 4.1Å; F543-V574 HydrophobicContact CZ-CG2 4.11Å; F543-L593 HydrophobicContact CD1-CD2 3.82Å; F543-L593 HydrophobicContact CE1-CD2 4.02Å; F543-L593 HydrophobicContact CG-CD2 4.39Å
544	L	87.1	Confident	90.2	Very high	77 Å²	77	58.4 Å²	58.4	40%	0.403	34%	0.338	S	S	.	.			trans	-74.2	141.4	172.6	-62.4	175.4	0	0	0	109.4	C542 P546 F592	C542-L544 PolarHBondContact O-N 2.8Å; L544-P546 WeakPolarHBondContact O-CD 3.49Å; L544-F592 WeakPolarHBondContact CB-O 3.37Å; L544-F592 PolarHBondContact N-O 2.84Å; L544-F592 VanDerWaalsContact N-O 3.07Å
545	S	82.1	Confident	89.8	Confident	119 Å²	119	59.3 Å²	59.3	83%	0.832	34%	0.344	S	S	*	.			trans	-72.6	110.8	172.5	-69.6	0	0	0	0	109.2
546	P	82.9	Confident	89.5	Confident	14 Å²	14	62.2 Å²	62.2	9%	0.091	37%	0.365	C	S	.	.			trans	-80.6	145.4	-177.7	33.3	-33.1	0	0	0	110.7	L544 Q551 A554 W558 F592 F669	L544-P546 WeakPolarHBondContact O-CD 3.49Å; P546-Q551 HydrophobicContact CB-CG 4.48Å; P546-Q551 HydrophobicContact CG-CG 3.86Å; P546-A554 HydrophobicContact CB-CB 3.83Å; P546-A554 HydrophobicContact CG-CB 3.88Å; P546-W558 HydrophobicContact CG-CH2 4.21Å; P546-F592 HydrophobicContact CB-CD1 4.11Å; P546-F592 HydrophobicContact CB-CE1 4.31Å; P546-F669 HydrophobicContact CG-CE2 4.45Å; P546-F669 HydrophobicContact CG-CZ 4.17Å
547	D	81.4	Confident	89.3	Confident	90 Å²	90	63 Å²	63	48%	0.481	37%	0.373	S	S	.	.			trans	-52.7	147.2	168.8	-67.9	-47.8	0	0	0	111	S549 R550 Q551	D547-S549 PolarHBondContact O-N 3.14Å; D547-R550 CarbonylContact O-C 3.44Å; D547-R550 WeakPolarHBondContact O-CA 3.39Å; D547-R550 PolarHBondContact O-N 3.17Å; D547-Q551 PolarHBondContact O-N 3Å; D547-Q551 VanDerWaalsContact O-N 3.1Å
548	P	83.1	Confident	89.2	Confident	109 Å²	109	62 Å²	62	71%	0.708	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-31.8	178.3	-28.3	34.9	0	0	0	114.2	R550	P548-R550 VanDerWaalsContact C-N 3.34Å
549	S	86.9	Confident	89.1	Confident	110 Å²	110	63.9 Å²	63.9	77%	0.769	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.5	177.5	60.4	0	0	0	0	114.2	D547	D547-S549 PolarHBondContact O-N 3.14Å
550	R	89.1	Confident	89.2	Confident	123 Å²	123	68.8 Å²	68.8	46%	0.464	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	0.8	-176.3	-62.9	-174.4	67.5	-169.7	-3.5	113.3	D547 P548 E552 A553 A554 F592	D547-R550 CarbonylContact O-C 3.44Å; D547-R550 WeakPolarHBondContact O-CA 3.39Å; D547-R550 PolarHBondContact O-N 3.17Å; P548-R550 VanDerWaalsContact C-N 3.34Å; R550-E552 PolarHBondContact O-N 3.41Å; R550-A553 WeakPolarHBondContact O-CB 3.26Å; R550-A553 PolarHBondContact O-N 3.11Å; R550-A553 VanDerWaalsContact O-N 3.15Å; R550-A554 PolarHBondContact O-N 2.82Å; R550-F592 HydrophobicContact CB-CE1 3.93Å; R550-F592 HydrophobicContact CB-CZ 4.15Å; R550-F592 VanDerWaalsContact CZ-CE1 3.5Å
551	Q	88.6	Confident	89.5	Confident	81 Å²	81	66.1 Å²	66.1	38%	0.379	38%	0.381	S	S	.	.	H	α-helix	trans	-54.1	-48.6	179.4	-82.4	176.9	2.3	0	0	113.2	P546 D547 A553 A554 V555 F669	P546-Q551 HydrophobicContact CB-CG 4.48Å; P546-Q551 HydrophobicContact CG-CG 3.86Å; D547-Q551 PolarHBondContact O-N 3Å; D547-Q551 VanDerWaalsContact O-N 3.1Å; Q551-A553 VanDerWaalsContact C-N 3.29Å; Q551-A553 PolarHBondContact O-N 3.47Å; Q551-A554 PolarHBondContact O-N 3.39Å; Q551-V555 WeakPolarHBondContact O-CG2 3.39Å; Q551-V555 PolarHBondContact O-N 2.9Å; Q551-F669 HydrophobicContact CG-CZ 4.27Å
552	E	89.8	Confident	89.7	Confident	140 Å²	140	62.6 Å²	62.6	65%	0.654	36%	0.356	S	S	*	.	H	α-helix	trans	-62	-38	179.3	-169.8	68.9	-149.1	0	0	111.9	R550 S556	R550-E552 PolarHBondContact O-N 3.41Å; E552-S556 WeakPolarHBondContact O-CB 3.49Å; E552-S556 PolarHBondContact O-N 3.05Å
553	A	91.5	Very high	89.7	Confident	50 Å²	50	63.5 Å²	63.5	41%	0.413	36%	0.359	S	S	.	.	H	α-helix	trans	-66.7	-41.8	176.9	0	0	0	0	0	111.4	R550 Q551 S556 A557 F592	R550-A553 WeakPolarHBondContact O-CB 3.26Å; R550-A553 PolarHBondContact O-N 3.11Å; R550-A553 VanDerWaalsContact O-N 3.15Å; Q551-A553 VanDerWaalsContact C-N 3.29Å; Q551-A553 PolarHBondContact O-N 3.47Å; A553-S556 PolarHBondContact O-N 3.4Å; A553-A557 WeakPolarHBondContact O-CB 3.36Å; A553-A557 PolarHBondContact O-N 2.99Å; A553-F592 HydrophobicContact CB-CE2 4.26Å; A553-F592 HydrophobicContact CB-CZ 4.09Å
554	A	91.3	Very high	89.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62.2	-50	175.2	0	0	0	0	0	111.4	P546 R550 Q551 S556 A557 W558 F592	P546-A554 HydrophobicContact CB-CB 3.83Å; P546-A554 HydrophobicContact CG-CB 3.88Å; R550-A554 PolarHBondContact O-N 2.82Å; Q551-A554 PolarHBondContact O-N 3.39Å; A554-S556 VanDerWaalsContact C-N 3.29Å; A554-S556 PolarHBondContact O-N 3.09Å; A554-A557 WeakPolarHBondContact O-CB 3.27Å; A554-A557 PolarHBondContact O-N 2.86Å; A554-W558 HydrophobicContact CB-CH2 3.99Å; A554-W558 HydrophobicContact CB-CZ2 3.88Å; A554-W558 HydrophobicContact CB-CZ3 4.33Å; A554-W558 PolarHBondContact O-N 2.72Å; A554-F592 HydrophobicContact CB-CB 4.11Å; A554-F592 HydrophobicContact CB-CD1 3.9Å; A554-F592 HydrophobicContact CB-CD2 3.8Å; A554-F592 HydrophobicContact CB-CE1 4.16Å; A554-F592 HydrophobicContact CB-CE2 4.08Å; A554-F592 HydrophobicContact CB-CG 3.69Å; A554-F592 HydrophobicContact CB-CZ 4.23Å
555	V	90.6	Very high	89.9	Confident	20 Å²	20	62.7 Å²	62.7	12%	0.121	36%	0.359	C	S	.	.	H	α-helix	trans	-58.6	-41.6	176.6	172.8	0	0	0	0	111.3	Q551 A557 W558 R559 F669 C674	Q551-V555 WeakPolarHBondContact O-CG2 3.39Å; Q551-V555 PolarHBondContact O-N 2.9Å; V555-A557 VanDerWaalsContact C-N 3.33Å; V555-A557 PolarHBondContact O-N 3.08Å; V555-W558 HydrophobicContact CG2-CE3 4.42Å; V555-W558 HydrophobicContact CG2-CZ3 4.48Å; V555-W558 PolarHBondContact O-N 3.16Å; V555-R559 PolarHBondContact O-N 3.03Å; V555-F669 HydrophobicContact CG2-CD1 4.38Å; V555-F669 HydrophobicContact CG2-CE1 4.45Å; V555-C674 HydrophobicContact CG1-CB 4.03Å
556	S	91.6	Very high	90.4	Very high	61 Å²	61	57 Å²	57	43%	0.427	32%	0.319	S	S	.	.	H	α-helix	trans	-65.4	-35.4	176.4	-169.7	0	0	0	0	112.9	E552 A553 A554	E552-S556 WeakPolarHBondContact O-CB 3.49Å; E552-S556 PolarHBondContact O-N 3.05Å; A553-S556 PolarHBondContact O-N 3.4Å; A554-S556 VanDerWaalsContact C-N 3.29Å; A554-S556 PolarHBondContact O-N 3.09Å
557	A	92.9	Very high	91.1	Very high	27 Å²	27	57 Å²	57	22%	0.223	32%	0.318	C	S	.	.	H	α-helix	trans	-73.2	-33.9	176.6	0	0	0	0	0	112.2	A553 A554 V555 P560 F592	A553-A557 WeakPolarHBondContact O-CB 3.36Å; A553-A557 PolarHBondContact O-N 2.99Å; A554-A557 WeakPolarHBondContact O-CB 3.27Å; A554-A557 PolarHBondContact O-N 2.86Å; V555-A557 VanDerWaalsContact C-N 3.33Å; V555-A557 PolarHBondContact O-N 3.08Å; A557-P560 VanDerWaalsContact O-CD 3.31Å; A557-P560 WeakPolarHBondContact O-CD 3.42Å; A557-F592 HydrophobicContact CB-CD2 4.34Å
558	W	94.1	Very high	91.9	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.011	30%	0.295	C	S	.	.	H	α-helix	trans	-75.9	-31.7	177.2	-60.7	-25.6	0	0	0	113	F543 P546 A554 V555 P560 L561 L562 T591 F592 F669	F543-W558 HydrophobicContact CB-CZ2 4.46Å; F543-W558 HydrophobicContact CD1-CD2 4.05Å; F543-W558 AromaticContact CD1-CE2 3.75Å; F543-W558 HydrophobicContact CD1-CG 4.43Å; F543-W558 HydrophobicContact CD1-CH2 4.5Å; F543-W558 AromaticContact CD1-CZ2 4Å; F543-W558 HydrophobicContact CD1-CZ2 4Å; F543-W558 AromaticContact CD1-NE1 3.94Å; F543-W558 HydrophobicContact CE1-CD2 4.27Å; F543-W558 HydrophobicContact CE1-CG 4.25Å; P546-W558 HydrophobicContact CG-CH2 4.21Å; A554-W558 HydrophobicContact CB-CH2 3.99Å; A554-W558 HydrophobicContact CB-CZ2 3.88Å; A554-W558 HydrophobicContact CB-CZ3 4.33Å; A554-W558 PolarHBondContact O-N 2.72Å; V555-W558 HydrophobicContact CG2-CE3 4.42Å; V555-W558 HydrophobicContact CG2-CZ3 4.48Å; V555-W558 PolarHBondContact O-N 3.16Å; W558-P560 VanDerWaalsContact C-N 3.31Å; W558-P560 VanDerWaalsContact O-N 3.08Å; W558-L561 WeakPolarHBondContact O-CA 3.25Å; W558-L561 VanDerWaalsContact O-CB 3.31Å; W558-L561 WeakPolarHBondContact O-CB 3.4Å; W558-L561 PolarHBondContact O-N 2.85Å; W558-L562 HydrophobicContact CB-CD2 4.32Å; W558-L562 WeakPolarHBondContact O-CG 3.39Å; W558-L562 PolarHBondContact O-N 3.01Å; W558-T591 PolarHBondContact NE1-O 3.01Å; W558-F592 HydrophobicContact CZ2-CB 4.01Å; W558-F669 HydrophobicContact CH2-CD2 4.36Å; W558-F669 HydrophobicContact CH2-CG 4.43Å; W558-F669 HydrophobicContact CZ3-CB 4.07Å; W558-F669 AromaticContact CZ3-CD1 3.94Å; W558-F669 HydrophobicContact CZ3-CD1 3.94Å; W558-F669 HydrophobicContact CZ3-CD2 4.21Å; W558-F669 HydrophobicContact CZ3-CE1 4.45Å; W558-F669 AromaticContact CZ3-CG 3.83Å; W558-F669 HydrophobicContact CZ3-CG 3.83Å
559	R	92.4	Very high	92.5	Very high	91 Å²	91	47.5 Å²	47.5	34%	0.343	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-41.8	-173.9	-165.9	178.4	-66	119.9	-3.1	115.3	V555 L561 L562	V555-R559 PolarHBondContact O-N 3.03Å; R559-L561 VanDerWaalsContact C-N 3.26Å; R559-L561 PolarHBondContact O-N 3.26Å; R559-L562 PolarHBondContact O-N 2.7Å
560	P	93.9	Very high	93	Very high	110 Å²	110	42.4 Å²	42.4	71%	0.714	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-23	176.3	-19.6	34.2	0	0	0	114.5	A557 W558	A557-P560 VanDerWaalsContact O-CD 3.31Å; A557-P560 WeakPolarHBondContact O-CD 3.42Å; W558-P560 VanDerWaalsContact C-N 3.31Å; W558-P560 VanDerWaalsContact O-N 3.08Å
561	L	95.3	Very high	93.5	Very high	21 Å²	21	36.9 Å²	36.9	11%	0.11	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-19.4	-179.4	-52.2	175.6	0	0	0	112.1	W558 R559 H563 N573 V574 A577 L593	W558-L561 WeakPolarHBondContact O-CA 3.25Å; W558-L561 VanDerWaalsContact O-CB 3.31Å; W558-L561 WeakPolarHBondContact O-CB 3.4Å; W558-L561 PolarHBondContact O-N 2.85Å; R559-L561 VanDerWaalsContact C-N 3.26Å; R559-L561 PolarHBondContact O-N 3.26Å; L561-H563 PolarHBondContact O-N 3.41Å; L561-N573 WeakPolarHBondContact O-CB 3.49Å; L561-N573 PolarHBondContact O-ND2 3Å; L561-V574 HydrophobicContact CB-CG2 4.14Å; L561-V574 HydrophobicContact CD1-CG2 4.18Å; L561-A577 HydrophobicContact CD2-CB 3.63Å; L561-L593 HydrophobicContact CD1-CD1 4.14Å
562	L	94.3	Very high	93.9	Very high	12 Å²	12	33.2 Å²	33.2	6%	0.063	19%	0.188	C	C	.	.			trans	-70.9	128	-174.4	-57.2	180	0	0	0	112.4	W558 R559 T570 C674 R675	W558-L562 HydrophobicContact CB-CD2 4.32Å; W558-L562 WeakPolarHBondContact O-CG 3.39Å; W558-L562 PolarHBondContact O-N 3.01Å; R559-L562 PolarHBondContact O-N 2.7Å; L562-T570 HydrophobicContact CD2-CG2 3.76Å; L562-C674 HydrophobicContact CD1-CB 3.37Å; L562-R675 HydrophobicContact CB-CG 3.73Å; L562-R675 HydrophobicContact CD1-CG 3.65Å; L562-R675 HydrophobicContact CG-CG 4.34Å
563	H	93.8	Very high	94.3	Very high	23 Å²	23	28.4 Å²	28.4	11%	0.106	17%	0.167	C	C	.	.			trans	-90.1	138.1	176.7	-162.2	-85.7	0	0	0	111.8	L561 E565 G566 L569 T570 F624 S671	L561-H563 PolarHBondContact O-N 3.41Å; H563-E565 VanDerWaalsContact C-N 3.35Å; H563-E565 VanDerWaalsContact CE1-CG 3.44Å; H563-E565 WeakPolarHBondContact CE1-CG 3.25Å; H563-E565 WeakPolarHBondContact ND1-CB 3.46Å; H563-E565 PolarHBondContact ND1-N 3.28Å; H563-E565 VanDerWaalsContact ND1-N 3.13Å; H563-E565 PolarHBondContact O-N 2.95Å; H563-G566 PolarHBondContact O-N 3.34Å; H563-L569 HydrophobicContact CB-CB 3.75Å; H563-L569 WeakPolarHBondContact CE1-CD2 3.46Å; H563-L569 VanDerWaalsContact CG-CB 3.44Å; H563-L569 WeakPolarHBondContact ND1-CB 3.38Å; H563-T570 PolarHBondContact N-OG1 3.36Å; H563-F624 AromaticContact CD2-CZ 3.87Å; H563-S671 PolarHBondContact O-OG 3.38Å
564	P	90.5	Very high	94.6	Very high	54 Å²	54	26 Å²	26	35%	0.351	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-37.2	178.9	20.3	-31.9	0	0	0	114.8	G566 Y672 R675	P564-G566 PolarHBondContact O-N 3.48Å; P564-Y672 VanDerWaalsContact O-CE1 3.3Å; P564-Y672 WeakPolarHBondContact O-CE1 3.44Å; P564-R675 VanDerWaalsContact CB-NH1 3.29Å
565	E	91.1	Very high	94.9	Very high	58 Å²	58	26.6 Å²	26.6	27%	0.271	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	2.2	-177.4	-56.2	-66	134.1	0	0	113.7	H563 L569 K634 Y672 E710	H563-E565 VanDerWaalsContact C-N 3.35Å; H563-E565 VanDerWaalsContact CE1-CG 3.44Å; H563-E565 WeakPolarHBondContact CE1-CG 3.25Å; H563-E565 WeakPolarHBondContact ND1-CB 3.46Å; H563-E565 PolarHBondContact ND1-N 3.28Å; H563-E565 VanDerWaalsContact ND1-N 3.13Å; H563-E565 PolarHBondContact O-N 2.95Å; E565-L569 HydrophobicContact CB-CD1 4.27Å; E565-L569 HydrophobicContact CB-CD2 4.05Å; E565-L569 HydrophobicContact CG-CD2 4.5Å; E565-K634 WeakPolarHBondContact OE2-CE 3.25Å; E565-K634 IonicContact OE2-NZ 3.13Å; E565-K634 PolarHBondContact OE2-NZ 3.19Å; E565-Y672 PolarHBondContact O-OH 3.4Å; E565-E710 PolarHBondContact O-N 2.96Å
566	G	93.9	Very high	95.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	123.4	-171.4	170.2	0	0	0	0	0	115.9	H563 P564 T570 S671 Y672 A708	H563-G566 PolarHBondContact O-N 3.34Å; P564-G566 PolarHBondContact O-N 3.48Å; G566-T570 PolarHBondContact O-N 2.81Å; G566-T570 PolarHBondContact O-OG1 3.11Å; G566-S671 WeakPolarHBondContact CA-OG 3.29Å; G566-Y672 VanDerWaalsContact CA-CZ 3.49Å; G566-Y672 WeakPolarHBondContact CA-OH 3.47Å; G566-Y672 PolarHBondContact N-OH 2.9Å; G566-A708 WeakPolarHBondContact CA-O 3.41Å
567	D	96.8	Very high	95.6	Very high	14 Å²	14	25.8 Å²	25.8	8%	0.075	14%	0.141	C	C	.	.	H	α-helix	trans	-74.7	-35.7	-169.3	-64.5	-36.4	0	0	0	112.4	L569 T570 L571 S670 S671 I707 A708	D567-L569 VanDerWaalsContact C-N 3.33Å; D567-L569 PolarHBondContact O-N 3.41Å; D567-T570 WeakPolarHBondContact O-CA 3.45Å; D567-T570 VanDerWaalsContact O-CB 3.23Å; D567-T570 WeakPolarHBondContact O-CB 3.23Å; D567-T570 PolarHBondContact O-N 3.47Å; D567-L571 PolarHBondContact O-N 3.27Å; D567-S670 PolarHBondContact OD1-OG 3.22Å; D567-S670 PolarHBondContact OD2-OG 3.35Å; D567-S671 VanDerWaalsContact OD1-CB 3.31Å; D567-S671 WeakPolarHBondContact OD1-CB 3.43Å; D567-S671 PolarHBondContact OD1-N 3.39Å; D567-S671 PolarHBondContact OD1-OG 2.95Å; D567-I707 HydrophobicContact CB-CB 4.26Å; D567-I707 HydrophobicContact CB-CD1 4.33Å; D567-I707 HydrophobicContact CB-CG2 3.79Å; D567-A708 PolarHBondContact N-O 2.97Å; D567-A708 PolarHBondContact OD2-N 3.26Å
568	H	97.6	Very high	95.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.1	-44.7	177.6	-62.7	88.6	0	0	0	111.6	I533 T570 L571 L637 I707 S709	I533-H568 HydrophobicContact CD1-CB 4.16Å; H568-T570 VanDerWaalsContact C-N 3.28Å; H568-T570 PolarHBondContact O-N 3.27Å; H568-L571 WeakPolarHBondContact O-CB 3.4Å; H568-L571 PolarHBondContact O-N 3.33Å; H568-L637 HydrophobicContact CB-CD1 3.93Å; H568-I707 PolarHBondContact CE1-O 2.99Å; H568-S709 PolarHBondContact N-OG 3.33Å; H568-S709 WeakPolarHBondContact ND1-CB 3.42Å; H568-S709 PolarHBondContact ND1-OG 2.86Å
569	L	97.2	Very high	96	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-72.5	-25.3	176.5	-70	84.2	0	0	0	112	H563 E565 D567 L571 I572 N573 F624 C630	H563-L569 HydrophobicContact CB-CB 3.75Å; H563-L569 WeakPolarHBondContact CE1-CD2 3.46Å; H563-L569 VanDerWaalsContact CG-CB 3.44Å; H563-L569 WeakPolarHBondContact ND1-CB 3.38Å; E565-L569 HydrophobicContact CB-CD1 4.27Å; E565-L569 HydrophobicContact CB-CD2 4.05Å; E565-L569 HydrophobicContact CG-CD2 4.5Å; D567-L569 VanDerWaalsContact C-N 3.33Å; D567-L569 PolarHBondContact O-N 3.41Å; L569-L571 VanDerWaalsContact C-N 3.32Å; L569-I572 PolarHBondContact O-N 3.49Å; L569-N573 PolarHBondContact O-N 3.02Å; L569-F624 HydrophobicContact CB-CE2 4.21Å; L569-F624 HydrophobicContact CB-CZ 4.32Å; L569-F624 HydrophobicContact CD2-CE2 3.96Å; L569-F624 HydrophobicContact CG-CE2 4.17Å; L569-C630 HydrophobicContact CD2-CB 4.1Å
570	T	97.3	Very high	96.2	Very high	3 Å²	3	30 Å²	30	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-36.9	171.6	-60.4	0	0	0	0	111.2	F543 L562 H563 G566 D567 H568 I572 N573 V574	F543-T570 HydrophobicContact CZ-CG2 4.4Å; L562-T570 HydrophobicContact CD2-CG2 3.76Å; H563-T570 PolarHBondContact N-OG1 3.36Å; G566-T570 PolarHBondContact O-N 2.81Å; G566-T570 PolarHBondContact O-OG1 3.11Å; D567-T570 WeakPolarHBondContact O-CA 3.45Å; D567-T570 VanDerWaalsContact O-CB 3.23Å; D567-T570 WeakPolarHBondContact O-CB 3.23Å; D567-T570 PolarHBondContact O-N 3.47Å; H568-T570 VanDerWaalsContact C-N 3.28Å; H568-T570 PolarHBondContact O-N 3.27Å; T570-I572 VanDerWaalsContact C-N 3.29Å; T570-I572 PolarHBondContact O-N 3.07Å; T570-N573 WeakPolarHBondContact O-CB 3.25Å; T570-N573 PolarHBondContact O-N 3.1Å; T570-V574 HydrophobicContact CG2-CG2 4.33Å; T570-V574 WeakPolarHBondContact O-CG2 3.32Å; T570-V574 PolarHBondContact O-N 3.15Å
571	L	98.1	Very high	96.3	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-38.1	175.7	-62.9	175.6	0	0	0	111.9	M536 L537 F543 D567 H568 L569 V574 Y575 I707	M536-L571 HydrophobicContact CB-CB 3.98Å; M536-L571 HydrophobicContact CB-CD1 4.1Å; M536-L571 HydrophobicContact CB-CD2 4.43Å; M536-L571 HydrophobicContact CB-CG 4.39Å; M536-L571 HydrophobicContact CE-CB 4.36Å; M536-L571 HydrophobicContact CE-CD2 4.05Å; M536-L571 HydrophobicContact CG-CB 4.27Å; L537-L571 HydrophobicContact CD2-CD1 3.7Å; L537-L571 HydrophobicContact CG-CD1 3.97Å; F543-L571 HydrophobicContact CE2-CD2 4.1Å; D567-L571 PolarHBondContact O-N 3.27Å; H568-L571 WeakPolarHBondContact O-CB 3.4Å; H568-L571 PolarHBondContact O-N 3.33Å; L569-L571 VanDerWaalsContact C-N 3.32Å; L571-V574 PolarHBondContact O-N 3.27Å; L571-Y575 WeakPolarHBondContact O-CB 3.24Å; L571-Y575 PolarHBondContact O-N 2.95Å; L571-I707 HydrophobicContact CD1-CG2 4.27Å
572	I	98.1	Very high	96.4	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-46.9	174	-59.8	170	0	0	0	110.6	E529 T532 I533 L569 T570 V574 Y575 N576 F624 I633	E529-I572 HydrophobicContact CB-CD1 3.74Å; E529-I572 HydrophobicContact CG-CD1 4.11Å; T532-I572 HydrophobicContact CG2-CG1 4.49Å; I533-I572 HydrophobicContact CD1-CD1 3.71Å; I533-I572 HydrophobicContact CD1-CG1 4.14Å; I533-I572 HydrophobicContact CG1-CD1 3.86Å; I533-I572 HydrophobicContact CG1-CG1 3.7Å; L569-I572 PolarHBondContact O-N 3.49Å; T570-I572 VanDerWaalsContact C-N 3.29Å; T570-I572 PolarHBondContact O-N 3.07Å; I572-V574 VanDerWaalsContact C-N 3.33Å; I572-V574 PolarHBondContact O-N 3.32Å; I572-Y575 PolarHBondContact O-N 3.07Å; I572-N576 WeakPolarHBondContact CG2-ND2 3.43Å; I572-N576 WeakPolarHBondContact O-CB 3.21Å; I572-N576 VanDerWaalsContact O-CG 3.29Å; I572-N576 PolarHBondContact O-N 3.47Å; I572-N576 PolarHBondContact O-ND2 3.1Å; I572-F624 HydrophobicContact CB-CE1 4.36Å; I572-F624 HydrophobicContact CB-CE2 4.15Å; I572-F624 HydrophobicContact CB-CZ 4.05Å; I572-F624 HydrophobicContact CD1-CD2 3.8Å; I572-F624 HydrophobicContact CD1-CE2 3.64Å; I572-F624 HydrophobicContact CD1-CZ 4.38Å; I572-F624 HydrophobicContact CG2-CD1 3.77Å; I572-F624 HydrophobicContact CG2-CD2 4.01Å; I572-F624 HydrophobicContact CG2-CE1 3.82Å; I572-F624 HydrophobicContact CG2-CE2 4.04Å; I572-F624 HydrophobicContact CG2-CG 3.87Å; I572-F624 HydrophobicContact CG2-CZ 3.94Å; I572-I633 HydrophobicContact CD1-CD1 4.09Å
573	N	97.8	Very high	96.5	Very high	40 Å²	40	36.5 Å²	36.5	21%	0.214	19%	0.186	C	C	.	.	H	α-helix	trans	-58.1	-45	176.8	-79.8	-13.3	0	0	0	112.1	L561 L569 T570 N576 A577 F624	L561-N573 WeakPolarHBondContact O-CB 3.49Å; L561-N573 PolarHBondContact O-ND2 3Å; L569-N573 PolarHBondContact O-N 3.02Å; T570-N573 WeakPolarHBondContact O-CB 3.25Å; T570-N573 PolarHBondContact O-N 3.1Å; N573-N576 PolarHBondContact O-N 3.06Å; N573-A577 VanDerWaalsContact O-CB 3.27Å; N573-A577 WeakPolarHBondContact O-CB 3.46Å; N573-A577 PolarHBondContact O-N 2.82Å; N573-F624 VanDerWaalsContact OD1-CE1 3.25Å; N573-F624 WeakPolarHBondContact OD1-CE1 3.3Å
574	V	98.2	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-48.6	178.7	170.4	0	0	0	0	110.6	M536 F543 L561 T570 L571 I572 A577 F578 L593 L598	M536-V574 HydrophobicContact CE-CB 4.33Å; M536-V574 HydrophobicContact CE-CG1 4.01Å; F543-V574 HydrophobicContact CZ-CG2 4.11Å; L561-V574 HydrophobicContact CB-CG2 4.14Å; L561-V574 HydrophobicContact CD1-CG2 4.18Å; T570-V574 HydrophobicContact CG2-CG2 4.33Å; T570-V574 WeakPolarHBondContact O-CG2 3.32Å; T570-V574 PolarHBondContact O-N 3.15Å; L571-V574 PolarHBondContact O-N 3.27Å; I572-V574 VanDerWaalsContact C-N 3.33Å; I572-V574 PolarHBondContact O-N 3.32Å; V574-A577 PolarHBondContact O-N 3.4Å; V574-F578 WeakPolarHBondContact O-CB 3.4Å; V574-F578 PolarHBondContact O-N 3.46Å; V574-L593 HydrophobicContact CG1-CD1 3.79Å; V574-L593 HydrophobicContact CG1-CD2 4.37Å; V574-L598 HydrophobicContact CG1-CD2 3.88Å
575	Y	98.3	Very high	96.8	Very high	12 Å²	12	42.7 Å²	42.7	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-46.4	178.4	-177.7	-95.8	0	0	0	112	T532 M536 L571 I572 A577 F578 L579 R602 R605	T532-Y575 HydrophobicContact CG2-CD1 3.43Å; T532-Y575 VanDerWaalsContact CG2-CD1 3.43Å; T532-Y575 HydrophobicContact CG2-CD2 4.26Å; T532-Y575 HydrophobicContact CG2-CE1 4.11Å; T532-Y575 HydrophobicContact CG2-CG 3.51Å; M536-Y575 HydrophobicContact CG-CD2 4.49Å; M536-Y575 HydrophobicContact SD-CD2 3.99Å; L571-Y575 WeakPolarHBondContact O-CB 3.24Å; L571-Y575 PolarHBondContact O-N 2.95Å; I572-Y575 PolarHBondContact O-N 3.07Å; Y575-A577 PolarHBondContact O-N 2.97Å; Y575-F578 WeakPolarHBondContact O-CB 3.42Å; Y575-F578 PolarHBondContact O-N 3.22Å; Y575-L579 HydrophobicContact CD1-CD1 4.06Å; Y575-L579 HydrophobicContact CD1-CG 4.49Å; Y575-L579 HydrophobicContact CE1-CD1 3.42Å; Y575-L579 VanDerWaalsContact CE1-CD1 3.42Å; Y575-L579 HydrophobicContact CE1-CG 4.13Å; Y575-L579 PolarHBondContact O-N 3.17Å; Y575-L579 VanDerWaalsContact O-N 3.09Å; Y575-R602 HydrophobicContact CE2-CB 4.27Å; Y575-R605 WeakPolarHBondContact OH-CD 3.25Å
576	N	97.4	Very high	97	Very high	54 Å²	54	43.2 Å²	43.2	29%	0.289	23%	0.227	S	C	.	.	H	α-helix	trans	-63.8	-41.2	178.2	-73	-18.2	0	0	0	112.1	I572 N573 F578 L579 Q580	I572-N576 WeakPolarHBondContact CG2-ND2 3.43Å; I572-N576 WeakPolarHBondContact O-CB 3.21Å; I572-N576 VanDerWaalsContact O-CG 3.29Å; I572-N576 PolarHBondContact O-N 3.47Å; I572-N576 PolarHBondContact O-ND2 3.1Å; N573-N576 PolarHBondContact O-N 3.06Å; N576-F578 VanDerWaalsContact C-N 3.35Å; N576-L579 PolarHBondContact O-N 3.4Å; N576-Q580 WeakPolarHBondContact O-CB 3.23Å; N576-Q580 WeakPolarHBondContact O-CG 3.39Å; N576-Q580 PolarHBondContact O-N 3.32Å
577	A	97.8	Very high	97.1	Very high	9 Å²	9	44.8 Å²	44.8	7%	0.074	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-41.5	175.9	0	0	0	0	0	111.5	L561 N573 V574 Y575 L579 Q580 H581 W587	L561-A577 HydrophobicContact CD2-CB 3.63Å; N573-A577 VanDerWaalsContact O-CB 3.27Å; N573-A577 WeakPolarHBondContact O-CB 3.46Å; N573-A577 PolarHBondContact O-N 2.82Å; V574-A577 PolarHBondContact O-N 3.4Å; Y575-A577 PolarHBondContact O-N 2.97Å; A577-L579 VanDerWaalsContact C-N 3.34Å; A577-L579 PolarHBondContact O-N 3.48Å; A577-Q580 PolarHBondContact O-N 2.9Å; A577-H581 PolarHBondContact O-CD2 2.95Å; A577-H581 VanDerWaalsContact O-CD2 3.24Å; A577-H581 PolarHBondContact O-N 3.34Å; A577-W587 HydrophobicContact CB-CH2 3.82Å; A577-W587 HydrophobicContact CB-CZ2 3.82Å
578	F	98.1	Very high	97.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.4	-45.8	175.5	175.4	-116.3	0	0	0	112.1	V574 Y575 N576 H581 N582 E583 W587 C588 H595 L598 R599	V574-F578 WeakPolarHBondContact O-CB 3.4Å; V574-F578 PolarHBondContact O-N 3.46Å; Y575-F578 WeakPolarHBondContact O-CB 3.42Å; Y575-F578 PolarHBondContact O-N 3.22Å; N576-F578 VanDerWaalsContact C-N 3.35Å; F578-H581 PolarHBondContact O-N 3.29Å; F578-N582 PolarHBondContact O-N 3.27Å; F578-E583 HydrophobicContact CD1-CG 4.26Å; F578-E583 HydrophobicContact CE1-CB 4Å; F578-E583 HydrophobicContact CE1-CG 3.63Å; F578-E583 HydrophobicContact CE2-CB 3.87Å; F578-E583 HydrophobicContact CE2-CG 4.34Å; F578-E583 HydrophobicContact CZ-CB 3.48Å; F578-E583 VanDerWaalsContact CZ-CB 3.48Å; F578-E583 HydrophobicContact CZ-CG 3.68Å; F578-E583 PolarHBondContact O-N 3.27Å; F578-W587 HydrophobicContact CB-CZ3 4.02Å; F578-W587 HydrophobicContact CD2-CE3 4.41Å; F578-W587 HydrophobicContact CD2-CZ3 4.17Å; F578-C588 VanDerWaalsContact CE2-SG 3.56Å; F578-H595 AromaticContact CE2-CD2 3.88Å; F578-L598 HydrophobicContact CB-CD1 4.13Å; F578-L598 HydrophobicContact CD1-CB 3.82Å; F578-L598 HydrophobicContact CD2-CB 4.13Å; F578-L598 HydrophobicContact CD2-CD1 3.7Å; F578-L598 HydrophobicContact CE1-CB 3.73Å; F578-L598 HydrophobicContact CE2-CB 4.07Å; F578-L598 HydrophobicContact CE2-CD1 4.21Å; F578-L598 HydrophobicContact CG-CB 4Å; F578-L598 HydrophobicContact CG-CD1 3.87Å; F578-L598 HydrophobicContact CG-CG 4.39Å; F578-L598 HydrophobicContact CZ-CB 3.87Å; F578-R599 HydrophobicContact CZ-CG 4.02Å
579	L	97.3	Very high	96.8	Very high	62 Å²	62	46.2 Å²	46.2	33%	0.325	25%	0.251	S	S	.	.	H	α-helix	trans	-67	-41.4	175.7	-64.7	-175.3	0	0	0	112.7	Y575 N576 A577 H581 N582 E583	Y575-L579 HydrophobicContact CD1-CD1 4.06Å; Y575-L579 HydrophobicContact CD1-CG 4.49Å; Y575-L579 HydrophobicContact CE1-CD1 3.42Å; Y575-L579 VanDerWaalsContact CE1-CD1 3.42Å; Y575-L579 HydrophobicContact CE1-CG 4.13Å; Y575-L579 PolarHBondContact O-N 3.17Å; Y575-L579 VanDerWaalsContact O-N 3.09Å; N576-L579 PolarHBondContact O-N 3.4Å; A577-L579 VanDerWaalsContact C-N 3.34Å; A577-L579 PolarHBondContact O-N 3.48Å; L579-H581 PolarHBondContact O-N 3.09Å; L579-N582 PolarHBondContact O-N 3.19Å; L579-E583 HydrophobicContact CD2-CG 4.28Å
580	Q	97.2	Very high	96.7	Very high	147 Å²	147	49.5 Å²	49.5	69%	0.687	28%	0.278	S	S	*	.	H	α-helix	trans	-61.7	-30.9	177.2	-73.9	167.8	21	0	0	112.6	N576 A577 N582	N576-Q580 WeakPolarHBondContact O-CB 3.23Å; N576-Q580 WeakPolarHBondContact O-CG 3.39Å; N576-Q580 PolarHBondContact O-N 3.32Å; A577-Q580 PolarHBondContact O-N 2.9Å; Q580-N582 PolarHBondContact O-N 3.04Å
581	H	97.2	Very high	96.5	Very high	88 Å²	88	50.1 Å²	50.1	41%	0.407	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	15.9	174	-76.8	-76	0	0	0	113.5	A577 F578 L579 E583 D584 W587	A577-H581 PolarHBondContact O-CD2 2.95Å; A577-H581 VanDerWaalsContact O-CD2 3.24Å; A577-H581 PolarHBondContact O-N 3.34Å; F578-H581 PolarHBondContact O-N 3.29Å; L579-H581 PolarHBondContact O-N 3.09Å; H581-E583 VanDerWaalsContact C-N 3.26Å; H581-E583 PolarHBondContact O-N 2.95Å; H581-D584 VanDerWaalsContact O-CB 3.27Å; H581-D584 WeakPolarHBondContact O-CB 3.36Å; H581-D584 PolarHBondContact O-N 3.15Å; H581-W587 HydrophobicContact CB-CB 4.39Å; H581-W587 HydrophobicContact CB-CD2 4.02Å; H581-W587 HydrophobicContact CB-CE3 4.45Å; H581-W587 HydrophobicContact CB-CG 3.97Å; H581-W587 AromaticContact CD2-CD1 3.67Å; H581-W587 AromaticContact CD2-CD2 3.97Å; H581-W587 AromaticContact CD2-CE2 3.39Å; H581-W587 AromaticContact CD2-CZ2 3.83Å; H581-W587 AromaticContact CD2-NE1 3.16Å; H581-W587 PolarHBondContact CD2-NE1 3.45Å; H581-W587 AromaticContact CE1-CD1 3.67Å; H581-W587 AromaticContact CE1-NE1 3.63Å; H581-W587 AromaticContact CG-CD1 3.58Å; H581-W587 AromaticContact CG-CD2 3.98Å; H581-W587 AromaticContact CG-CE2 3.88Å; H581-W587 AromaticContact CG-CG 3.81Å; H581-W587 AromaticContact CG-NE1 3.59Å; H581-W587 AromaticContact ND1-CD1 3.58Å; H581-W587 AromaticContact ND1-NE1 3.85Å; H581-W587 AromaticContact NE2-CD1 3.72Å; H581-W587 AromaticContact NE2-CE2 3.89Å; H581-W587 AromaticContact NE2-NE1 3.19Å; H581-W587 PolarHBondContact NE2-NE1 2.96Å; H581-W587 VanDerWaalsContact NE2-NE1 3.19Å
582	N	96.6	Very high	96.4	Very high	145 Å²	145	50.8 Å²	50.8	78%	0.775	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	37.2	178.1	-54.3	-62.8	0	0	0	113.8	F578 L579 Q580 D584	F578-N582 PolarHBondContact O-N 3.27Å; L579-N582 PolarHBondContact O-N 3.19Å; Q580-N582 PolarHBondContact O-N 3.04Å; N582-D584 PolarHBondContact O-N 3.43Å
583	E	95.3	Very high	96.2	Very high	48 Å²	48	50.8 Å²	50.8	22%	0.224	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	28.4	177.8	-52.5	176.2	-157.3	0	0	113.4	F578 L579 H581 E585 H595 R602	F578-E583 HydrophobicContact CD1-CG 4.26Å; F578-E583 HydrophobicContact CE1-CB 4Å; F578-E583 HydrophobicContact CE1-CG 3.63Å; F578-E583 HydrophobicContact CE2-CB 3.87Å; F578-E583 HydrophobicContact CE2-CG 4.34Å; F578-E583 HydrophobicContact CZ-CB 3.48Å; F578-E583 VanDerWaalsContact CZ-CB 3.48Å; F578-E583 HydrophobicContact CZ-CG 3.68Å; F578-E583 PolarHBondContact O-N 3.27Å; L579-E583 HydrophobicContact CD2-CG 4.28Å; H581-E583 VanDerWaalsContact C-N 3.26Å; H581-E583 PolarHBondContact O-N 2.95Å; E583-E585 PolarHBondContact O-N 3.44Å; E583-H595 PolarHBondContact O-NE2 3.22Å; E583-R602 VanDerWaalsContact CD-NH1 3.27Å; E583-R602 WeakPolarHBondContact OE1-CD 3.49Å; E583-R602 IonicContact OE1-CZ 2.82Å; E583-R602 IonicContact OE1-NE 2.73Å; E583-R602 IonicContact OE1-NH1 3.85Å; E583-R602 PolarHBondContact OE1-NH1 2.94Å; E583-R602 IonicContact OE2-CZ 3.46Å; E583-R602 IonicContact OE2-NE 3.24Å; E583-R602 IonicContact OE2-NH1 2.83Å; E583-R602 PolarHBondContact OE2-NH1 3Å; E583-R602 VanDerWaalsContact OE2-NH1 3.14Å; E583-R602 IonicContact OE2-NH2 2.96Å
584	D	96	Very high	96	Very high	75 Å²	75	49.9 Å²	49.9	40%	0.401	28%	0.282	S	S	.	.			trans	-66.7	121	-175.8	177.8	37.1	0	0	0	112.5	H581 N582 A586 W587 C588	H581-D584 VanDerWaalsContact O-CB 3.27Å; H581-D584 WeakPolarHBondContact O-CB 3.36Å; H581-D584 PolarHBondContact O-N 3.15Å; N582-D584 PolarHBondContact O-N 3.43Å; D584-A586 VanDerWaalsContact C-N 3.3Å; D584-A586 PolarHBondContact O-N 3.29Å; D584-A586 PolarHBondContact OD1-N 3.3Å; D584-W587 HydrophobicContact CB-CB 4Å; D584-W587 PolarHBondContact O-N 3.48Å; D584-W587 WeakPolarHBondContact OD2-CB 3.27Å; D584-W587 PolarHBondContact OD2-N 2.96Å; D584-C588 PolarHBondContact O-N 3.43Å; D584-C588 VanDerWaalsContact O-N 3.15Å; D584-C588 PolarHBondContact O-SG 3.2Å
585	E	94.8	Very high	95.7	Very high	131 Å²	131	51.6 Å²	51.6	61%	0.612	29%	0.289	S	S	*	.	H	α-helix	trans	-64.2	-36	177.2	-175.6	174.5	-171.5	0	0	111.6	E583 C588 G589 H595	E583-E585 PolarHBondContact O-N 3.44Å; E585-C588 WeakPolarHBondContact O-CB 3.25Å; E585-C588 PolarHBondContact O-N 3.22Å; E585-G589 PolarHBondContact O-N 3.4Å; E585-H595 HydrophobicContact CB-CB 4.49Å; E585-H595 HydrophobicContact CG-CB 4.11Å
586	A	96	Very high	95.3	Very high	69 Å²	69	53 Å²	53	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-67.2	-39.9	179.2	0	0	0	0	0	111.6	D584 G589 A590	D584-A586 VanDerWaalsContact C-N 3.3Å; D584-A586 PolarHBondContact O-N 3.29Å; D584-A586 PolarHBondContact OD1-N 3.3Å; A586-G589 PolarHBondContact O-N 3.2Å; A586-A590 WeakPolarHBondContact O-CB 3.43Å; A586-A590 PolarHBondContact O-N 2.86Å
587	W	96.8	Very high	95.1	Very high	34 Å²	34	50.6 Å²	50.6	13%	0.129	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-44.3	171.8	177.7	86.8	0	0	0	112.4	A577 F578 H581 D584 G589 A590 T591 L593	A577-W587 HydrophobicContact CB-CH2 3.82Å; A577-W587 HydrophobicContact CB-CZ2 3.82Å; F578-W587 HydrophobicContact CB-CZ3 4.02Å; F578-W587 HydrophobicContact CD2-CE3 4.41Å; F578-W587 HydrophobicContact CD2-CZ3 4.17Å; H581-W587 HydrophobicContact CB-CB 4.39Å; H581-W587 HydrophobicContact CB-CD2 4.02Å; H581-W587 HydrophobicContact CB-CE3 4.45Å; H581-W587 HydrophobicContact CB-CG 3.97Å; H581-W587 AromaticContact CD2-CD1 3.67Å; H581-W587 AromaticContact CD2-CD2 3.97Å; H581-W587 AromaticContact CD2-CE2 3.39Å; H581-W587 AromaticContact CD2-CZ2 3.83Å; H581-W587 AromaticContact CD2-NE1 3.16Å; H581-W587 PolarHBondContact CD2-NE1 3.45Å; H581-W587 AromaticContact CE1-CD1 3.67Å; H581-W587 AromaticContact CE1-NE1 3.63Å; H581-W587 AromaticContact CG-CD1 3.58Å; H581-W587 AromaticContact CG-CD2 3.98Å; H581-W587 AromaticContact CG-CE2 3.88Å; H581-W587 AromaticContact CG-CG 3.81Å; H581-W587 AromaticContact CG-NE1 3.59Å; H581-W587 AromaticContact ND1-CD1 3.58Å; H581-W587 AromaticContact ND1-NE1 3.85Å; H581-W587 AromaticContact NE2-CD1 3.72Å; H581-W587 AromaticContact NE2-CE2 3.89Å; H581-W587 AromaticContact NE2-NE1 3.19Å; H581-W587 PolarHBondContact NE2-NE1 2.96Å; H581-W587 VanDerWaalsContact NE2-NE1 3.19Å; D584-W587 HydrophobicContact CB-CB 4Å; D584-W587 PolarHBondContact O-N 3.48Å; D584-W587 WeakPolarHBondContact OD2-CB 3.27Å; D584-W587 PolarHBondContact OD2-N 2.96Å; W587-G589 VanDerWaalsContact C-N 3.33Å; W587-G589 PolarHBondContact O-N 3.41Å; W587-A590 PolarHBondContact O-N 3.27Å; W587-T591 HydrophobicContact CD2-CG2 4.27Å; W587-T591 HydrophobicContact CZ2-CG2 4.04Å; W587-T591 WeakPolarHBondContact O-CB 3.38Å; W587-T591 WeakPolarHBondContact O-CG2 3.28Å; W587-T591 PolarHBondContact O-N 3.4Å; W587-T591 PolarHBondContact O-OG1 3.45Å; W587-L593 HydrophobicContact CH2-CD1 3.83Å; W587-L593 HydrophobicContact CZ3-CD1 3.91Å
588	C	95.8	Very high	95	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	29%	0.288	C	S	.	.	H	α-helix	trans	-58.6	-46.7	175.9	-64.6	0	0	0	0	110.9	F578 D584 E585 A590 T591 F592 L593 H595	F578-C588 VanDerWaalsContact CE2-SG 3.56Å; D584-C588 PolarHBondContact O-N 3.43Å; D584-C588 VanDerWaalsContact O-N 3.15Å; D584-C588 PolarHBondContact O-SG 3.2Å; E585-C588 WeakPolarHBondContact O-CB 3.25Å; E585-C588 PolarHBondContact O-N 3.22Å; C588-A590 PolarHBondContact O-N 2.93Å; C588-T591 CarbonylContact O-C 3.51Å; C588-T591 PolarHBondContact O-N 2.9Å; C588-T591 PolarHBondContact O-OG1 3.1Å; C588-F592 PolarHBondContact O-N 2.87Å; C588-L593 CarbonylContact C-O 3.53Å; C588-L593 HydrophobicContact CB-CB 4.45Å; C588-L593 WeakPolarHBondContact CB-O 3.32Å; C588-L593 PolarHBondContact O-N 3.18Å; C588-H595 HydrophobicContact CB-CB 3.94Å
589	G	92.4	Very high	94.8	Very high	43 Å²	43	56.1 Å²	56.1	44%	0.443	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-39.9	176.5	0	0	0	0	0	113.5	E585 A586 W587 T591 F592	E585-G589 PolarHBondContact O-N 3.4Å; A586-G589 PolarHBondContact O-N 3.2Å; W587-G589 VanDerWaalsContact C-N 3.33Å; W587-G589 PolarHBondContact O-N 3.41Å; G589-T591 VanDerWaalsContact C-N 3.31Å; G589-T591 PolarHBondContact O-N 2.92Å; G589-F592 PolarHBondContact O-N 2.88Å
590	A	93.7	Very high	94.5	Very high	69 Å²	69	55.7 Å²	55.7	57%	0.57	31%	0.308	S	S	*	.	H	α-helix	trans	-69.1	-28.4	177.1	0	0	0	0	0	113.2	A586 W587 C588	A586-A590 WeakPolarHBondContact O-CB 3.43Å; A586-A590 PolarHBondContact O-N 2.86Å; W587-A590 PolarHBondContact O-N 3.27Å; C588-A590 PolarHBondContact O-N 2.93Å
591	T	94.4	Very high	94.5	Very high	16 Å²	16	48.7 Å²	48.7	10%	0.098	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	6.4	179.4	54.5	0	0	0	0	113.7	W558 W587 C588 G589 L593	W558-T591 PolarHBondContact NE1-O 3.01Å; W587-T591 HydrophobicContact CD2-CG2 4.27Å; W587-T591 HydrophobicContact CZ2-CG2 4.04Å; W587-T591 WeakPolarHBondContact O-CB 3.38Å; W587-T591 WeakPolarHBondContact O-CG2 3.28Å; W587-T591 PolarHBondContact O-N 3.4Å; W587-T591 PolarHBondContact O-OG1 3.45Å; C588-T591 CarbonylContact O-C 3.51Å; C588-T591 PolarHBondContact O-N 2.9Å; C588-T591 PolarHBondContact O-OG1 3.1Å; G589-T591 VanDerWaalsContact C-N 3.31Å; G589-T591 PolarHBondContact O-N 2.92Å; T591-L593 PolarHBondContact O-N 2.93Å
592	F	94.6	Very high	94.5	Very high	20 Å²	20	49.2 Å²	49.2	9%	0.088	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	37.9	-178.2	-58.6	-104.8	0	0	0	112.8	L544 P546 R550 A553 A554 A557 W558 C588 G589	L544-F592 WeakPolarHBondContact CB-O 3.37Å; L544-F592 PolarHBondContact N-O 2.84Å; L544-F592 VanDerWaalsContact N-O 3.07Å; P546-F592 HydrophobicContact CB-CD1 4.11Å; P546-F592 HydrophobicContact CB-CE1 4.31Å; R550-F592 HydrophobicContact CB-CE1 3.93Å; R550-F592 HydrophobicContact CB-CZ 4.15Å; R550-F592 VanDerWaalsContact CZ-CE1 3.5Å; A553-F592 HydrophobicContact CB-CE2 4.26Å; A553-F592 HydrophobicContact CB-CZ 4.09Å; A554-F592 HydrophobicContact CB-CB 4.11Å; A554-F592 HydrophobicContact CB-CD1 3.9Å; A554-F592 HydrophobicContact CB-CD2 3.8Å; A554-F592 HydrophobicContact CB-CE1 4.16Å; A554-F592 HydrophobicContact CB-CE2 4.08Å; A554-F592 HydrophobicContact CB-CG 3.69Å; A554-F592 HydrophobicContact CB-CZ 4.23Å; A557-F592 HydrophobicContact CB-CD2 4.34Å; W558-F592 HydrophobicContact CZ2-CB 4.01Å; C588-F592 PolarHBondContact O-N 2.87Å; G589-F592 PolarHBondContact O-N 2.88Å
593	L	94.8	Very high	94.4	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-111	147.8	175.9	-62.6	175.9	0	0	0	110.9	C542 F543 L561 V574 W587 C588 T591 H595 L598	C542-L593 CarbonylContact O-C 3.47Å; C542-L593 VanDerWaalsContact O-CA 3.22Å; C542-L593 WeakPolarHBondContact O-CA 3.42Å; F543-L593 HydrophobicContact CD1-CD2 3.82Å; F543-L593 HydrophobicContact CE1-CD2 4.02Å; F543-L593 HydrophobicContact CG-CD2 4.39Å; L561-L593 HydrophobicContact CD1-CD1 4.14Å; V574-L593 HydrophobicContact CG1-CD1 3.79Å; V574-L593 HydrophobicContact CG1-CD2 4.37Å; W587-L593 HydrophobicContact CH2-CD1 3.83Å; W587-L593 HydrophobicContact CZ3-CD1 3.91Å; C588-L593 CarbonylContact C-O 3.53Å; C588-L593 HydrophobicContact CB-CB 4.45Å; C588-L593 WeakPolarHBondContact CB-O 3.32Å; C588-L593 PolarHBondContact O-N 3.18Å; T591-L593 PolarHBondContact O-N 2.93Å; L593-H595 PolarHBondContact O-N 2.91Å; L593-L598 HydrophobicContact CB-CD1 4.1Å; L593-L598 HydrophobicContact CD1-CD1 4.35Å
594	S	92.4	Very high	94.4	Very high	22 Å²	22	42.7 Å²	42.7	15%	0.154	24%	0.242	C	C	.	.			trans	-82.3	109	176.4	178.5	0	0	0	0	110.4	C542 A596 A597 L598	C542-S594 PolarHBondContact O-N 3.45Å; S594-A596 VanDerWaalsContact C-N 3.29Å; S594-A596 PolarHBondContact O-N 3.39Å; S594-A597 PolarHBondContact O-N 3Å; S594-A597 PolarHBondContact OG-N 3.36Å; S594-L598 WeakPolarHBondContact O-CG 3.46Å; S594-L598 PolarHBondContact O-N 3.03Å; S594-L598 VanDerWaalsContact O-N 3.11Å
595	H	93.8	Very high	94.4	Very high	35 Å²	35	41.1 Å²	41.1	16%	0.162	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-42	174.5	171.4	-119.7	0	0	0	111.9	F578 E583 E585 C588 L593 A597 L598 R599	F578-H595 AromaticContact CE2-CD2 3.88Å; E583-H595 PolarHBondContact O-NE2 3.22Å; E585-H595 HydrophobicContact CB-CB 4.49Å; E585-H595 HydrophobicContact CG-CB 4.11Å; C588-H595 HydrophobicContact CB-CB 3.94Å; L593-H595 PolarHBondContact O-N 2.91Å; H595-A597 PolarHBondContact O-N 3.45Å; H595-L598 PolarHBondContact O-N 3.28Å; H595-R599 WeakPolarHBondContact CE1-CD 3.43Å; H595-R599 WeakPolarHBondContact NE2-CD 3.5Å; H595-R599 WeakPolarHBondContact O-CG 3.43Å; H595-R599 PolarHBondContact O-N 2.9Å
596	A	89.4	Confident	94.5	Very high	43 Å²	43	37.7 Å²	37.7	36%	0.355	23%	0.225	S	C	.	.	H	α-helix	trans	-62.7	-43.8	178.8	0	0	0	0	0	112.2	A327 S594 R599 L600	A327-A596 HydrophobicContact CB-CB 3.69Å; S594-A596 VanDerWaalsContact C-N 3.29Å; S594-A596 PolarHBondContact O-N 3.39Å; A596-R599 PolarHBondContact O-N 2.99Å; A596-L600 WeakPolarHBondContact O-CB 3.35Å; A596-L600 PolarHBondContact O-N 3.24Å
597	A	91.8	Very high	94.4	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-41.5	178	0	0	0	0	0	112.4	P540 C542 S594 H595 L600 A601	P540-A597 WeakPolarHBondContact O-CB 3.21Å; C542-A597 HydrophobicContact CB-CB 4.37Å; S594-A597 PolarHBondContact O-N 3Å; S594-A597 PolarHBondContact OG-N 3.36Å; H595-A597 PolarHBondContact O-N 3.45Å; A597-L600 PolarHBondContact O-N 3.39Å; A597-A601 PolarHBondContact O-N 3.36Å
598	L	96.1	Very high	94.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.8	-38.4	178.6	-69.9	169.5	0	0	0	112.4	M536 C542 V574 F578 L593 S594 H595 A601 R602	M536-L598 HydrophobicContact CE-CD2 3.69Å; M536-L598 HydrophobicContact SD-CD2 3.87Å; C542-L598 HydrophobicContact CB-CD2 3.79Å; C542-L598 HydrophobicContact CB-CG 4.01Å; V574-L598 HydrophobicContact CG1-CD2 3.88Å; F578-L598 HydrophobicContact CB-CD1 4.13Å; F578-L598 HydrophobicContact CD1-CB 3.82Å; F578-L598 HydrophobicContact CD2-CB 4.13Å; F578-L598 HydrophobicContact CD2-CD1 3.7Å; F578-L598 HydrophobicContact CE1-CB 3.73Å; F578-L598 HydrophobicContact CE2-CB 4.07Å; F578-L598 HydrophobicContact CE2-CD1 4.21Å; F578-L598 HydrophobicContact CG-CB 4Å; F578-L598 HydrophobicContact CG-CD1 3.87Å; F578-L598 HydrophobicContact CG-CG 4.39Å; F578-L598 HydrophobicContact CZ-CB 3.87Å; L593-L598 HydrophobicContact CB-CD1 4.1Å; L593-L598 HydrophobicContact CD1-CD1 4.35Å; S594-L598 WeakPolarHBondContact O-CG 3.46Å; S594-L598 PolarHBondContact O-N 3.03Å; S594-L598 VanDerWaalsContact O-N 3.11Å; H595-L598 PolarHBondContact O-N 3.28Å; L598-A601 PolarHBondContact O-N 2.81Å; L598-R602 PolarHBondContact O-N 2.9Å; L598-R602 VanDerWaalsContact O-N 3.08Å
599	R	94.4	Very high	94.5	Very high	126 Å²	126	37.3 Å²	37.3	48%	0.475	21%	0.213	S	C	.	.	H	α-helix	trans	-62.9	-43	172.2	-79.5	-170.7	59.6	162.9	-1.6	111.9	F578 H595 A596 R602 V603	F578-R599 HydrophobicContact CZ-CG 4.02Å; H595-R599 WeakPolarHBondContact CE1-CD 3.43Å; H595-R599 WeakPolarHBondContact NE2-CD 3.5Å; H595-R599 WeakPolarHBondContact O-CG 3.43Å; H595-R599 PolarHBondContact O-N 2.9Å; A596-R599 PolarHBondContact O-N 2.99Å; R599-R602 WeakPolarHBondContact O-CB 3.14Å; R599-R602 PolarHBondContact O-N 3.18Å; R599-V603 PolarHBondContact O-N 3.01Å
600	L	92.1	Very high	94.6	Very high	52 Å²	52	41.7 Å²	41.7	27%	0.272	22%	0.222	S	C	.	.	H	α-helix	trans	-62.5	-44.7	175.7	-177.8	61.1	0	0	0	111.3	H151 A539 P540 A596 A597 R602 V603 I604	H151-L600 HydrophobicContact CB-CD1 3.55Å; A539-L600 HydrophobicContact CB-CD2 4.47Å; A539-L600 HydrophobicContact CB-CG 4.44Å; P540-L600 HydrophobicContact CG-CD2 4.42Å; A596-L600 WeakPolarHBondContact O-CB 3.35Å; A596-L600 PolarHBondContact O-N 3.24Å; A597-L600 PolarHBondContact O-N 3.39Å; L600-R602 PolarHBondContact O-N 2.6Å; L600-V603 WeakPolarHBondContact O-CA 3.37Å; L600-V603 WeakPolarHBondContact O-CB 3.33Å; L600-V603 PolarHBondContact O-N 3.36Å; L600-I604 HydrophobicContact CD1-CD1 4.39Å; L600-I604 HydrophobicContact CD1-CG1 4.4Å; L600-I604 HydrophobicContact CG-CD1 3.91Å; L600-I604 HydrophobicContact CG-CG1 4.36Å; L600-I604 WeakPolarHBondContact O-CG1 3.5Å; L600-I604 PolarHBondContact O-N 3.39Å
601	A	96.3	Very high	94.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-56.9	-36.6	174.6	0	0	0	0	0	112	A535 M536 A539 A597 L598 R605	A535-A601 VanDerWaalsContact CB-O 3.32Å; A535-A601 WeakPolarHBondContact CB-O 3.26Å; M536-A601 HydrophobicContact CG-CB 4.41Å; M536-A601 HydrophobicContact SD-CB 3.67Å; A539-A601 HydrophobicContact CB-CB 3.92Å; A597-A601 PolarHBondContact O-N 3.36Å; L598-A601 PolarHBondContact O-N 2.81Å; A601-R605 WeakPolarHBondContact O-CB 3.3Å; A601-R605 PolarHBondContact O-N 3Å
602	R	96.3	Very high	94.7	Very high	99 Å²	99	38.5 Å²	38.5	37%	0.374	20%	0.196	S	C	.	.	H	α-helix	trans	-64.8	-39.6	174	-167.9	-174	71.4	149.2	5	112.6	Y575 E583 L598 R599 L600 A606	Y575-R602 HydrophobicContact CE2-CB 4.27Å; E583-R602 VanDerWaalsContact CD-NH1 3.27Å; E583-R602 WeakPolarHBondContact OE1-CD 3.49Å; E583-R602 IonicContact OE1-CZ 2.82Å; E583-R602 IonicContact OE1-NE 2.73Å; E583-R602 IonicContact OE1-NH1 3.85Å; E583-R602 PolarHBondContact OE1-NH1 2.94Å; E583-R602 IonicContact OE2-CZ 3.46Å; E583-R602 IonicContact OE2-NE 3.24Å; E583-R602 IonicContact OE2-NH1 2.83Å; E583-R602 PolarHBondContact OE2-NH1 3Å; E583-R602 VanDerWaalsContact OE2-NH1 3.14Å; E583-R602 IonicContact OE2-NH2 2.96Å; L598-R602 PolarHBondContact O-N 2.9Å; L598-R602 VanDerWaalsContact O-N 3.08Å; R599-R602 WeakPolarHBondContact O-CB 3.14Å; R599-R602 PolarHBondContact O-N 3.18Å; L600-R602 PolarHBondContact O-N 2.6Å; R602-A606 PolarHBondContact O-N 3.14Å; R602-A606 VanDerWaalsContact O-N 3.13Å
603	V	94.8	Very high	94.8	Very high	53 Å²	53	43.1 Å²	43.1	32%	0.321	22%	0.218	S	C	.	.	H	α-helix	trans	-64.6	-52.3	175.9	175.4	0	0	0	0	110	H151 R599 L600 R605 A606 E607	H151-V603 HydrophobicContact CB-CG1 4.29Å; R599-V603 PolarHBondContact O-N 3.01Å; L600-V603 WeakPolarHBondContact O-CA 3.37Å; L600-V603 WeakPolarHBondContact O-CB 3.33Å; L600-V603 PolarHBondContact O-N 3.36Å; V603-R605 VanDerWaalsContact C-N 3.28Å; V603-R605 PolarHBondContact O-N 3.21Å; V603-A606 WeakPolarHBondContact O-CB 3.39Å; V603-A606 PolarHBondContact O-N 2.76Å; V603-E607 HydrophobicContact CG1-CG 4.46Å; V603-E607 WeakPolarHBondContact CG1-OE1 3.41Å; V603-E607 PolarHBondContact O-N 2.87Å
604	I	95.4	Very high	94.8	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-55.2	-45.5	177.6	-63.2	169.5	0	0	0	110.9	H151 A535 T538 A539 L600 A606 E607 L608	H151-I604 HydrophobicContact CB-CG1 4.23Å; A535-I604 HydrophobicContact CB-CB 4.11Å; A535-I604 HydrophobicContact CB-CG2 3.94Å; T538-I604 HydrophobicContact CG2-CD1 4.1Å; T538-I604 HydrophobicContact CG2-CG2 4.34Å; A539-I604 HydrophobicContact CB-CD1 3.95Å; L600-I604 HydrophobicContact CD1-CD1 4.39Å; L600-I604 HydrophobicContact CD1-CG1 4.4Å; L600-I604 HydrophobicContact CG-CD1 3.91Å; L600-I604 HydrophobicContact CG-CG1 4.36Å; L600-I604 WeakPolarHBondContact O-CG1 3.5Å; L600-I604 PolarHBondContact O-N 3.39Å; I604-A606 VanDerWaalsContact C-N 3.33Å; I604-A606 PolarHBondContact O-N 2.88Å; I604-E607 PolarHBondContact O-N 3.33Å; I604-L608 HydrophobicContact CG2-CD1 3.83Å; I604-L608 HydrophobicContact CG2-CG 4.11Å; I604-L608 WeakPolarHBondContact O-CB 3.39Å; I604-L608 VanDerWaalsContact O-CG 3.28Å; I604-L608 WeakPolarHBondContact O-CG 3.42Å; I604-L608 PolarHBondContact O-N 2.98Å
605	R	97.4	Very high	94.9	Very high	42 Å²	42	51.7 Å²	51.7	16%	0.158	25%	0.249	C	C	.	.	H	α-helix	trans	-55	-46.9	175.7	167	132.2	-171	-5.7	-6.6	111.8	E528 L531 T532 A535 Y575 A601 V603 L609	E528-R605 IonicContact OE2-CZ 3.81Å; E528-R605 IonicContact OE2-NH1 3.14Å; E528-R605 IonicContact OE2-NH2 2.63Å; E528-R605 PolarHBondContact OE2-NH2 3.27Å; L531-R605 HydrophobicContact CD2-CB 4.04Å; L531-R605 HydrophobicContact CD2-CG 3.36Å; L531-R605 WeakPolarHBondContact CD2-O 3.22Å; T532-R605 PolarHBondContact OG1-NE 3.08Å; A535-R605 HydrophobicContact CB-CB 3.68Å; Y575-R605 WeakPolarHBondContact OH-CD 3.25Å; A601-R605 WeakPolarHBondContact O-CB 3.3Å; A601-R605 PolarHBondContact O-N 3Å; V603-R605 VanDerWaalsContact C-N 3.28Å; V603-R605 PolarHBondContact O-N 3.21Å; R605-L609 WeakPolarHBondContact O-CB 3.38Å; R605-L609 PolarHBondContact O-N 3.39Å; R605-L609 VanDerWaalsContact O-N 3.11Å
606	A	96.3	Very high	95	Very high	59 Å²	59	58.5 Å²	58.5	49%	0.488	28%	0.282	S	S	.	.	H	α-helix	trans	-65.9	-43.2	179.2	0	0	0	0	0	111.8	R602 V603 I604 L609 E610	R602-A606 PolarHBondContact O-N 3.14Å; R602-A606 VanDerWaalsContact O-N 3.13Å; V603-A606 WeakPolarHBondContact O-CB 3.39Å; V603-A606 PolarHBondContact O-N 2.76Å; I604-A606 VanDerWaalsContact C-N 3.33Å; I604-A606 PolarHBondContact O-N 2.88Å; A606-L609 PolarHBondContact O-N 3.11Å; A606-E610 PolarHBondContact O-N 3.5Å
607	E	94.6	Very high	95.2	Very high	62 Å²	62	57.8 Å²	57.8	29%	0.29	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-45.3	178	-69.5	175.2	179.1	0	0	112.1	H151 V603 I604 L609 E610 V611	H151-E607 IonicContact CE1-OE2 3.13Å; H151-E607 IonicContact CG-OE2 2.61Å; H151-E607 IonicContact ND1-OE2 3.5Å; H151-E607 PolarHBondContact ND1-OE2 2.81Å; V603-E607 HydrophobicContact CG1-CG 4.46Å; V603-E607 WeakPolarHBondContact CG1-OE1 3.41Å; V603-E607 PolarHBondContact O-N 2.87Å; I604-E607 PolarHBondContact O-N 3.33Å; E607-L609 VanDerWaalsContact C-N 3.29Å; E607-L609 PolarHBondContact O-N 3.43Å; E607-E610 WeakPolarHBondContact O-CB 3.48Å; E607-E610 PolarHBondContact O-N 3.34Å; E607-V611 WeakPolarHBondContact O-CG2 3.48Å; E607-V611 PolarHBondContact O-N 3.46Å
608	L	96.1	Very high	95.4	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-41.7	175.9	-70.3	176	0	0	0	111.4	P509 L510 L531 A534 I604 V611 M612	P509-L608 HydrophobicContact CG-CD2 3.98Å; L510-L608 HydrophobicContact CD1-CD1 4.27Å; L510-L608 HydrophobicContact CD1-CD2 3.82Å; L510-L608 HydrophobicContact CD2-CD1 4.14Å; L510-L608 HydrophobicContact CD2-CD2 4.05Å; L510-L608 HydrophobicContact CG-CD2 3.81Å; L531-L608 HydrophobicContact CG-CB 4.38Å; A534-L608 HydrophobicContact CB-CD1 4.09Å; I604-L608 HydrophobicContact CG2-CD1 3.83Å; I604-L608 HydrophobicContact CG2-CG 4.11Å; I604-L608 WeakPolarHBondContact O-CB 3.39Å; I604-L608 VanDerWaalsContact O-CG 3.28Å; I604-L608 WeakPolarHBondContact O-CG 3.42Å; I604-L608 PolarHBondContact O-N 2.98Å; L608-V611 PolarHBondContact O-N 3.32Å; L608-M612 VanDerWaalsContact O-CG 3.3Å; L608-M612 WeakPolarHBondContact O-CG 3.43Å; L608-M612 PolarHBondContact O-N 3.41Å
609	L	96.9	Very high	95.4	Very high	33 Å²	33	64.1 Å²	64.1	17%	0.173	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-42.7	176.6	-179.3	60.7	0	0	0	111.4	L531 R605 A606 E607 M612 Q613 V619	L531-L609 HydrophobicContact CD1-CB 3.85Å; L531-L609 HydrophobicContact CD1-CD1 4.06Å; R605-L609 WeakPolarHBondContact O-CB 3.38Å; R605-L609 PolarHBondContact O-N 3.39Å; R605-L609 VanDerWaalsContact O-N 3.11Å; A606-L609 PolarHBondContact O-N 3.11Å; E607-L609 VanDerWaalsContact C-N 3.29Å; E607-L609 PolarHBondContact O-N 3.43Å; L609-M612 PolarHBondContact O-N 3.39Å; L609-Q613 HydrophobicContact CD1-CG 4.35Å; L609-Q613 WeakPolarHBondContact O-CB 3.2Å; L609-Q613 VanDerWaalsContact O-CG 3.26Å; L609-Q613 WeakPolarHBondContact O-CG 3.49Å; L609-Q613 PolarHBondContact O-N 2.95Å; L609-V619 HydrophobicContact CD1-CG1 4.05Å; L609-V619 HydrophobicContact CD1-CG2 3.94Å
610	E	95.9	Very high	95.3	Very high	135 Å²	135	58.6 Å²	58.6	63%	0.631	29%	0.292	S	S	*	.	H	α-helix	trans	-61.7	-44.8	176.4	-175.7	179	175	0	0	111.4	A606 E607 Q613 R614	A606-E610 PolarHBondContact O-N 3.5Å; E607-E610 WeakPolarHBondContact O-CB 3.48Å; E607-E610 PolarHBondContact O-N 3.34Å; E610-Q613 PolarHBondContact O-N 2.98Å; E610-R614 VanDerWaalsContact O-CB 3.27Å; E610-R614 WeakPolarHBondContact O-CB 3.49Å; E610-R614 PolarHBondContact O-N 2.78Å
611	V	94	Very high	95.3	Very high	19 Å²	19	60.9 Å²	60.9	12%	0.115	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-47.3	175.8	174.4	0	0	0	0	110.8	E507 L508 E607 L608 Q613 R614 I615	E507-V611 WeakPolarHBondContact O-CG1 3.49Å; L508-V611 HydrophobicContact CD2-CG1 3.83Å; E607-V611 WeakPolarHBondContact O-CG2 3.48Å; E607-V611 PolarHBondContact O-N 3.46Å; L608-V611 PolarHBondContact O-N 3.32Å; V611-Q613 VanDerWaalsContact C-N 3.32Å; V611-Q613 PolarHBondContact O-N 2.81Å; V611-R614 WeakPolarHBondContact O-CB 3.32Å; V611-R614 PolarHBondContact O-N 3.43Å; V611-I615 HydrophobicContact CG1-CD1 4.36Å; V611-I615 WeakPolarHBondContact O-CG1 3.47Å; V611-I615 PolarHBondContact O-N 2.87Å
612	M	95.7	Very high	95.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-42.1	177.7	-73.1	-173.5	75.3	0	0	112.2	L508 L518 V527 L531 L608 L609 E616 L617	L508-M612 HydrophobicContact CD2-CG 4.34Å; L518-M612 HydrophobicContact CD1-CE 4.48Å; L518-M612 HydrophobicContact CD1-SD 3.95Å; L518-M612 HydrophobicContact CD2-SD 3.87Å; L518-M612 HydrophobicContact CG-CE 4.38Å; L518-M612 HydrophobicContact CG-SD 3.87Å; V527-M612 HydrophobicContact CG1-CE 3.56Å; V527-M612 HydrophobicContact CG1-SD 4.02Å; L531-M612 HydrophobicContact CD1-SD 3.89Å; L608-M612 VanDerWaalsContact O-CG 3.3Å; L608-M612 WeakPolarHBondContact O-CG 3.43Å; L608-M612 PolarHBondContact O-N 3.41Å; L609-M612 PolarHBondContact O-N 3.39Å; M612-E616 PolarHBondContact O-N 2.92Å; M612-E616 VanDerWaalsContact O-N 3.15Å; M612-L617 HydrophobicContact CB-CB 4.34Å; M612-L617 HydrophobicContact CE-CB 3.97Å; M612-L617 HydrophobicContact CE-CD1 4.03Å; M612-L617 HydrophobicContact CG-CD1 4.26Å; M612-L617 PolarHBondContact O-N 3.05Å
613	Q	95.9	Very high	94.9	Very high	117 Å²	117	62.9 Å²	62.9	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-66.9	-40.7	176.3	-72.8	173.5	-2.3	0	0	112	L609 E610 V611 I615 E616	L609-Q613 HydrophobicContact CD1-CG 4.35Å; L609-Q613 WeakPolarHBondContact O-CB 3.2Å; L609-Q613 VanDerWaalsContact O-CG 3.26Å; L609-Q613 WeakPolarHBondContact O-CG 3.49Å; L609-Q613 PolarHBondContact O-N 2.95Å; E610-Q613 PolarHBondContact O-N 2.98Å; V611-Q613 VanDerWaalsContact C-N 3.32Å; V611-Q613 PolarHBondContact O-N 2.81Å; Q613-I615 VanDerWaalsContact C-N 3.31Å; Q613-I615 PolarHBondContact O-N 3.39Å; Q613-E616 PolarHBondContact O-N 2.87Å; Q613-E616 VanDerWaalsContact O-N 3.13Å
614	R	95.3	Very high	94.8	Very high	155 Å²	155	62.9 Å²	62.9	59%	0.585	34%	0.335	S	S	*	.	H	α-helix	trans	-61.8	-38.2	178.4	-177.9	-174.8	73	-177.6	5.2	112.3	E507 E610 V611 E616	E507-R614 IonicContact OE2-NH2 3.59Å; E507-R614 PolarHBondContact OE2-NH2 3.19Å; E610-R614 VanDerWaalsContact O-CB 3.27Å; E610-R614 WeakPolarHBondContact O-CB 3.49Å; E610-R614 PolarHBondContact O-N 2.78Å; V611-R614 WeakPolarHBondContact O-CB 3.32Å; V611-R614 PolarHBondContact O-N 3.43Å; R614-E616 VanDerWaalsContact C-N 3.31Å
615	I	94.1	Very high	94.4	Very high	49 Å²	49	65.6 Å²	65.6	25%	0.251	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	11.5	177.6	71.9	-172.5	0	0	0	112.8	I504 E507 V611 Q613 L617	I504-I615 HydrophobicContact CG2-CD1 3.99Å; E507-I615 HydrophobicContact CB-CD1 4.5Å; E507-I615 HydrophobicContact CB-CG2 4.46Å; V611-I615 HydrophobicContact CG1-CD1 4.36Å; V611-I615 WeakPolarHBondContact O-CG1 3.47Å; V611-I615 PolarHBondContact O-N 2.87Å; Q613-I615 VanDerWaalsContact C-N 3.31Å; Q613-I615 PolarHBondContact O-N 3.39Å; I615-L617 VanDerWaalsContact C-N 3.35Å; I615-L617 HydrophobicContact CD1-CD1 3.81Å; I615-L617 HydrophobicContact CD1-CG 4.19Å; I615-L617 HydrophobicContact CG1-CD1 4.1Å; I615-L617 HydrophobicContact CG1-CG 3.96Å; I615-L617 PolarHBondContact O-N 3.26Å
616	E	95.4	Very high	94.1	Very high	179 Å²	179	66.4 Å²	66.4	84%	0.836	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	30.9	173.1	-53.9	-175.5	165	0	0	115.5	M612 Q613 R614	M612-E616 PolarHBondContact O-N 2.92Å; M612-E616 VanDerWaalsContact O-N 3.15Å; Q613-E616 PolarHBondContact O-N 2.87Å; Q613-E616 VanDerWaalsContact O-N 3.13Å; R614-E616 VanDerWaalsContact C-N 3.31Å
617	L	95.2	Very high	93.8	Very high	27 Å²	27	71.3 Å²	71.3	14%	0.141	39%	0.388	C	S	.	.			trans	-73.3	139.8	171.3	-72.2	176.1	0	0	0	111.3	I504 M612 I615 V619	I504-L617 HydrophobicContact CG2-CD1 3.93Å; I504-L617 HydrophobicContact CG2-CD2 4.45Å; M612-L617 HydrophobicContact CB-CB 4.34Å; M612-L617 HydrophobicContact CE-CB 3.97Å; M612-L617 HydrophobicContact CE-CD1 4.03Å; M612-L617 HydrophobicContact CG-CD1 4.26Å; M612-L617 PolarHBondContact O-N 3.05Å; I615-L617 VanDerWaalsContact C-N 3.35Å; I615-L617 HydrophobicContact CD1-CD1 3.81Å; I615-L617 HydrophobicContact CD1-CG 4.19Å; I615-L617 HydrophobicContact CG1-CD1 4.1Å; I615-L617 HydrophobicContact CG1-CG 3.96Å; I615-L617 PolarHBondContact O-N 3.26Å; L617-V619 PolarHBondContact O-N 3.32Å
618	P	95.2	Very high	93.6	Very high	84 Å²	84	74 Å²	74	55%	0.545	41%	0.405	S	S	.	.			trans	-68.9	134.8	179.3	29.6	-34.4	0	0	0	110.5	C522	C522-P618 HydrophobicContact CB-CG 3.86Å
619	V	95.1	Very high	93.6	Very high	52 Å²	52	74.2 Å²	74.2	32%	0.315	41%	0.405	S	S	.	.			trans	-111.5	109.4	177.7	-176.8	0	0	0	0	108.7	V527 E528 L609 L617	V527-V619 HydrophobicContact CB-CG1 4.48Å; V527-V619 HydrophobicContact CG1-CB 4.45Å; V527-V619 HydrophobicContact CG1-CG1 4.03Å; V527-V619 HydrophobicContact CG1-CG2 4.45Å; E528-V619 HydrophobicContact CG-CG1 4.4Å; L609-V619 HydrophobicContact CD1-CG1 4.05Å; L609-V619 HydrophobicContact CD1-CG2 3.94Å; L617-V619 PolarHBondContact O-N 3.32Å
620	S	94.1	Very high	93.4	Very high	10 Å²	10	73.3 Å²	73.3	7%	0.07	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-72	147.6	177.8	66.1	0	0	0	0	111.1	D525 C526 V527 E528	D525-S620 PolarHBondContact O-OG 3.45Å; C526-S620 PolarHBondContact N-OG 3.3Å; V527-S620 PolarHBondContact N-OG 3.03Å; E528-S620 WeakPolarHBondContact CG-O 3.18Å
621	P	91.8	Very high	93.4	Very high	100 Å²	100	68.8 Å²	68.8	65%	0.649	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-66.3	158.9	175.8	29.8	-35.6	0	0	0	111.8	A623	P621-A623 PolarHBondContact O-N 3.48Å
622	P	90.6	Very high	93.5	Very high	97 Å²	97	69.3 Å²	69.3	63%	0.63	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-66.6	132.2	178.8	27.7	-34.3	0	0	0	111.2	E528 E529	E528-P622 HydrophobicContact CB-CB 4.19Å; E528-P622 HydrophobicContact CG-CB 4.45Å; E529-P622 WeakPolarHBondContact OE1-CA 3.32Å
623	A	92.1	Very high	93.6	Very high	44 Å²	44	69.3 Å²	69.3	36%	0.364	39%	0.386	S	S	.	.			trans	-135.5	9.9	-178.2	0	0	0	0	0	113.3	E529 P621 G625 N629	E529-A623 PolarHBondContact OE1-N 3.2Å; P621-A623 PolarHBondContact O-N 3.48Å; A623-G625 PolarHBondContact O-N 3.35Å; A623-N629 HydrophobicContact CB-CB 4.16Å
624	F	93.8	Very high	93.6	Very high	53 Å²	53	64.1 Å²	64.1	23%	0.232	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	134.5	-178.7	-170.1	-112.5	0	0	0	113.7	E529 H563 L569 I572 N573 N629 I633	E529-F624 HydrophobicContact CG-CB 3.73Å; E529-F624 HydrophobicContact CG-CD2 3.97Å; E529-F624 HydrophobicContact CG-CG 4.23Å; E529-F624 PolarHBondContact OE1-N 3.43Å; H563-F624 AromaticContact CD2-CZ 3.87Å; L569-F624 HydrophobicContact CB-CE2 4.21Å; L569-F624 HydrophobicContact CB-CZ 4.32Å; L569-F624 HydrophobicContact CD2-CE2 3.96Å; L569-F624 HydrophobicContact CG-CE2 4.17Å; I572-F624 HydrophobicContact CB-CE1 4.36Å; I572-F624 HydrophobicContact CB-CE2 4.15Å; I572-F624 HydrophobicContact CB-CZ 4.05Å; I572-F624 HydrophobicContact CD1-CD2 3.8Å; I572-F624 HydrophobicContact CD1-CE2 3.64Å; I572-F624 HydrophobicContact CD1-CZ 4.38Å; I572-F624 HydrophobicContact CG2-CD1 3.77Å; I572-F624 HydrophobicContact CG2-CD2 4.01Å; I572-F624 HydrophobicContact CG2-CE1 3.82Å; I572-F624 HydrophobicContact CG2-CE2 4.04Å; I572-F624 HydrophobicContact CG2-CG 3.87Å; I572-F624 HydrophobicContact CG2-CZ 3.94Å; N573-F624 VanDerWaalsContact OD1-CE1 3.25Å; N573-F624 WeakPolarHBondContact OD1-CE1 3.3Å; F624-N629 WeakPolarHBondContact CA-OD1 3.46Å; F624-I633 HydrophobicContact CD2-CD1 4.14Å; F624-I633 HydrophobicContact CE2-CD1 4.44Å
625	G	86.3	Confident	93.7	Very high	60 Å²	60	60.7 Å²	60.7	62%	0.619	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.8	-11	178.4	0	0	0	0	0	114.8	A623	A623-G625 PolarHBondContact O-N 3.35Å
626	C	90.9	Very high	93.9	Very high	58 Å²	58	58.4 Å²	58.4	39%	0.392	34%	0.337	S	S	.	.	S	Bend	trans	-88.4	151.8	168.2	78	0	0	0	0	111.7	D628 N629 C630	C626-D628 VanDerWaalsContact C-N 3.3Å; C626-D628 PolarHBondContact O-N 2.99Å; C626-N629 PolarHBondContact O-N 3.15Å; C626-N629 WeakPolarHBondContact SG-CB 3.28Å; C626-N629 PolarHBondContact SG-N 3.4Å; C626-C630 PolarHBondContact O-N 2.96Å; C626-C630 PolarHBondContact O-SG 3.35Å
627	Q	89.7	Confident	94	Very high	163 Å²	163	50 Å²	50	76%	0.762	30%	0.297	S	S	*	.	H	α-helix	trans	-64	-36.9	-178.1	-174.2	175.7	1.4	0	0	112.1	C630 T631	Q627-C630 PolarHBondContact O-N 3.32Å; Q627-T631 PolarHBondContact O-N 3.12Å; Q627-T631 PolarHBondContact O-OG1 3.34Å
628	D	92.4	Very high	94.1	Very high	119 Å²	119	48.7 Å²	48.7	64%	0.636	29%	0.29	S	S	*	.	H	α-helix	trans	-65.9	-45	178.7	-64.1	-26.5	0	0	0	111.2	C626 C630 T631 N632	C626-D628 VanDerWaalsContact C-N 3.3Å; C626-D628 PolarHBondContact O-N 2.99Å; D628-C630 PolarHBondContact O-N 3.44Å; D628-T631 WeakPolarHBondContact O-CB 3.13Å; D628-T631 PolarHBondContact O-N 3.35Å; D628-T631 VanDerWaalsContact O-N 3.13Å; D628-N632 VanDerWaalsContact O-CG 3.3Å; D628-N632 PolarHBondContact O-N 3.32Å; D628-N632 PolarHBondContact O-OD1 2.92Å
629	N	94.3	Very high	94.1	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-41.1	176	177.4	-97.2	0	0	0	111.7	E529 A623 F624 C626 T631 N632 I633	E529-N629 PolarHBondContact OE2-ND2 2.7Å; A623-N629 HydrophobicContact CB-CB 4.16Å; F624-N629 WeakPolarHBondContact CA-OD1 3.46Å; C626-N629 PolarHBondContact O-N 3.15Å; C626-N629 WeakPolarHBondContact SG-CB 3.28Å; C626-N629 PolarHBondContact SG-N 3.4Å; N629-T631 PolarHBondContact O-N 3.19Å; N629-N632 PolarHBondContact O-N 3.16Å; N629-N632 VanDerWaalsContact O-N 3.11Å; N629-I633 VanDerWaalsContact O-CG1 3.32Å; N629-I633 WeakPolarHBondContact O-CG1 3.44Å; N629-I633 PolarHBondContact O-N 3.13Å; N629-I633 WeakPolarHBondContact OD1-CD1 3.33Å
630	C	94.1	Very high	94.2	Very high	14 Å²	14	43.3 Å²	43.3	10%	0.095	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-39.6	173	-66.3	0	0	0	0	111.8	L569 C626 Q627 D628 K634	L569-C630 HydrophobicContact CD2-CB 4.1Å; C626-C630 PolarHBondContact O-N 2.96Å; C626-C630 PolarHBondContact O-SG 3.35Å; Q627-C630 PolarHBondContact O-N 3.32Å; D628-C630 PolarHBondContact O-N 3.44Å; C630-K634 WeakPolarHBondContact O-CG 3.43Å; C630-K634 PolarHBondContact O-N 3.15Å
631	T	94.9	Very high	94.3	Very high	41 Å²	41	43.1 Å²	43.1	25%	0.252	26%	0.256	S	S	.	.	H	α-helix	trans	-67.8	-42.8	176.2	-53.8	0	0	0	0	111	Q627 D628 N629 K634 R635 M715	Q627-T631 PolarHBondContact O-N 3.12Å; Q627-T631 PolarHBondContact O-OG1 3.34Å; D628-T631 WeakPolarHBondContact O-CB 3.13Å; D628-T631 PolarHBondContact O-N 3.35Å; D628-T631 VanDerWaalsContact O-N 3.13Å; N629-T631 PolarHBondContact O-N 3.19Å; T631-K634 WeakPolarHBondContact O-CB 3.3Å; T631-K634 PolarHBondContact O-N 3.44Å; T631-R635 WeakPolarHBondContact O-CG 3.37Å; T631-R635 PolarHBondContact O-N 2.85Å; T631-M715 HydrophobicContact CG2-SD 4.37Å
632	N	96.5	Very high	94.4	Very high	30 Å²	30	39 Å²	39	16%	0.16	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-41.8	178.1	-72.4	-4.6	0	0	0	112.6	Y524 C526 D628 N629 K634 R635 A636	Y524-N632 VanDerWaalsContact O-CB 3.23Å; Y524-N632 WeakPolarHBondContact O-CB 3.32Å; Y524-N632 PolarHBondContact O-ND2 2.98Å; C526-N632 HydrophobicContact CB-CB 4.15Å; D628-N632 VanDerWaalsContact O-CG 3.3Å; D628-N632 PolarHBondContact O-N 3.32Å; D628-N632 PolarHBondContact O-OD1 2.92Å; N629-N632 PolarHBondContact O-N 3.16Å; N629-N632 VanDerWaalsContact O-N 3.11Å; N632-K634 VanDerWaalsContact C-N 3.3Å; N632-K634 PolarHBondContact O-N 3.02Å; N632-R635 WeakPolarHBondContact O-CB 3.44Å; N632-R635 PolarHBondContact O-N 3.4Å; N632-R635 VanDerWaalsContact O-N 3.16Å; N632-R635 PolarHBondContact OD1-NH1 2.75Å; N632-A636 PolarHBondContact O-N 3.27Å
633	I	97.4	Very high	94.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-45.4	172.7	-65.9	164.6	0	0	0	110.2	C526 E529 I533 I572 F624 N629 R635 A636 L637	C526-I633 HydrophobicContact CB-CG1 3.93Å; E529-I633 HydrophobicContact CB-CD1 3.65Å; E529-I633 HydrophobicContact CB-CG1 3.97Å; E529-I633 HydrophobicContact CG-CD1 3.9Å; I533-I633 HydrophobicContact CD1-CG2 3.7Å; I572-I633 HydrophobicContact CD1-CD1 4.09Å; F624-I633 HydrophobicContact CD2-CD1 4.14Å; F624-I633 HydrophobicContact CE2-CD1 4.44Å; N629-I633 VanDerWaalsContact O-CG1 3.32Å; N629-I633 WeakPolarHBondContact O-CG1 3.44Å; N629-I633 PolarHBondContact O-N 3.13Å; N629-I633 WeakPolarHBondContact OD1-CD1 3.33Å; I633-R635 PolarHBondContact O-N 3.33Å; I633-A636 PolarHBondContact O-N 3.02Å; I633-L637 HydrophobicContact CG2-CD1 3.93Å; I633-L637 HydrophobicContact CG2-CG 4.39Å; I633-L637 WeakPolarHBondContact O-CB 3.13Å; I633-L637 WeakPolarHBondContact O-CG 3.43Å; I633-L637 PolarHBondContact O-N 3.32Å
634	K	96.6	Very high	94.7	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-41.1	177	-69.6	176.9	-176.2	-165.1	0	111.8	E565 C630 T631 N632 L637 I638 E710 M715	E565-K634 WeakPolarHBondContact OE2-CE 3.25Å; E565-K634 IonicContact OE2-NZ 3.13Å; E565-K634 PolarHBondContact OE2-NZ 3.19Å; C630-K634 WeakPolarHBondContact O-CG 3.43Å; C630-K634 PolarHBondContact O-N 3.15Å; T631-K634 WeakPolarHBondContact O-CB 3.3Å; T631-K634 PolarHBondContact O-N 3.44Å; N632-K634 VanDerWaalsContact C-N 3.3Å; N632-K634 PolarHBondContact O-N 3.02Å; K634-L637 PolarHBondContact O-N 2.92Å; K634-I638 WeakPolarHBondContact O-CB 3.49Å; K634-I638 WeakPolarHBondContact O-CD1 3.47Å; K634-I638 WeakPolarHBondContact O-CG1 3.43Å; K634-I638 PolarHBondContact O-N 3.45Å; K634-E710 VanDerWaalsContact CD-O 3.29Å; K634-E710 WeakPolarHBondContact CD-O 3.24Å; K634-E710 WeakPolarHBondContact CE-O 3.41Å; K634-E710 PolarHBondContact NZ-O 3.03Å; K634-M715 HydrophobicContact CB-CE 4.28Å; K634-M715 HydrophobicContact CD-CE 4.23Å
635	R	97.3	Very high	94.8	Very high	84 Å²	84	34.2 Å²	34.2	32%	0.317	19%	0.19	S	C	.	.	H	α-helix	trans	-59.8	-48.9	175.3	-67.6	178.6	174.8	126.9	-1.1	111	Y524 T631 N632 I633 L637 I638 S639 M715 L719	Y524-R635 HydrophobicContact CD1-CB 4.19Å; Y524-R635 HydrophobicContact CD2-CB 3.8Å; Y524-R635 HydrophobicContact CE1-CB 4.11Å; Y524-R635 HydrophobicContact CE2-CB 3.69Å; Y524-R635 HydrophobicContact CG-CB 4.06Å; T631-R635 WeakPolarHBondContact O-CG 3.37Å; T631-R635 PolarHBondContact O-N 2.85Å; N632-R635 WeakPolarHBondContact O-CB 3.44Å; N632-R635 PolarHBondContact O-N 3.4Å; N632-R635 VanDerWaalsContact O-N 3.16Å; N632-R635 PolarHBondContact OD1-NH1 2.75Å; I633-R635 PolarHBondContact O-N 3.33Å; R635-L637 PolarHBondContact O-N 2.93Å; R635-I638 PolarHBondContact O-N 2.99Å; R635-S639 PolarHBondContact O-N 3.32Å; R635-S639 PolarHBondContact O-OG 3.13Å; R635-M715 HydrophobicContact CG-SD 4.48Å; R635-L719 HydrophobicContact CB-CD1 3.99Å; R635-L719 HydrophobicContact CG-CD1 4.06Å
636	A	97.6	Very high	95.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-43.9	178.3	0	0	0	0	0	112.3	A517 A521 Y524 L530 N632 I633 I638 S639	A517-A636 WeakPolarHBondContact CA-O 3.32Å; A517-A636 WeakPolarHBondContact CB-O 3.36Å; A521-A636 HydrophobicContact CB-CB 4.05Å; Y524-A636 HydrophobicContact CD2-CB 3.9Å; L530-A636 HydrophobicContact CD2-CB 3.71Å; N632-A636 PolarHBondContact O-N 3.27Å; I633-A636 PolarHBondContact O-N 3.02Å; A636-I638 PolarHBondContact O-N 3.41Å; A636-S639 WeakPolarHBondContact O-CB 3.23Å; A636-S639 PolarHBondContact O-N 3.33Å
637	L	97.8	Very high	95.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-42.6	174.7	-73.2	170.5	0	0	0	112	L530 H568 I633 K634 R635 S639 G640 F641 L693	L530-L637 HydrophobicContact CD1-CD2 3.72Å; L530-L637 HydrophobicContact CD1-CG 4.02Å; H568-L637 HydrophobicContact CB-CD1 3.93Å; I633-L637 HydrophobicContact CG2-CD1 3.93Å; I633-L637 HydrophobicContact CG2-CG 4.39Å; I633-L637 WeakPolarHBondContact O-CB 3.13Å; I633-L637 WeakPolarHBondContact O-CG 3.43Å; I633-L637 PolarHBondContact O-N 3.32Å; K634-L637 PolarHBondContact O-N 2.92Å; R635-L637 PolarHBondContact O-N 2.93Å; L637-S639 VanDerWaalsContact C-N 3.31Å; L637-S639 PolarHBondContact O-N 3.24Å; L637-G640 PolarHBondContact O-N 3.36Å; L637-F641 HydrophobicContact CD2-CD2 4.38Å; L637-F641 HydrophobicContact CD2-CE2 4.47Å; L637-F641 WeakPolarHBondContact O-CB 3.29Å; L637-F641 WeakPolarHBondContact O-CD2 3.31Å; L637-F641 PolarHBondContact O-N 3.38Å; L637-L693 HydrophobicContact CB-CD1 4.26Å; L637-L693 HydrophobicContact CB-CD2 4.41Å
638	I	97.2	Very high	95.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-41.4	177.3	-70.1	162.9	0	0	0	110.5	K634 R635 A636 G640 F641 F642 L693 V711 M715 L716 L719	K634-I638 WeakPolarHBondContact O-CB 3.49Å; K634-I638 WeakPolarHBondContact O-CD1 3.47Å; K634-I638 WeakPolarHBondContact O-CG1 3.43Å; K634-I638 PolarHBondContact O-N 3.45Å; R635-I638 PolarHBondContact O-N 2.99Å; A636-I638 PolarHBondContact O-N 3.41Å; I638-G640 PolarHBondContact O-N 2.92Å; I638-G640 VanDerWaalsContact O-N 3.15Å; I638-F641 PolarHBondContact O-N 3.2Å; I638-F642 HydrophobicContact CG2-CB 4.22Å; I638-F642 VanDerWaalsContact O-CB 3.27Å; I638-F642 WeakPolarHBondContact O-CB 3.23Å; I638-F642 WeakPolarHBondContact O-CD1 3.4Å; I638-F642 PolarHBondContact O-N 2.96Å; I638-L693 HydrophobicContact CB-CD1 4.41Å; I638-L693 HydrophobicContact CG1-CD1 3.78Å; I638-V711 HydrophobicContact CD1-CB 4.28Å; I638-V711 HydrophobicContact CD1-CG1 3.98Å; I638-V711 HydrophobicContact CG1-CG1 4.06Å; I638-M715 HydrophobicContact CD1-CB 3.75Å; I638-M715 HydrophobicContact CD1-CE 4.12Å; I638-M715 HydrophobicContact CD1-SD 4.34Å; I638-L716 HydrophobicContact CD1-CD2 4.14Å; I638-L716 HydrophobicContact CG1-CD2 4.13Å; I638-L716 HydrophobicContact CG2-CD2 3.98Å; I638-L719 HydrophobicContact CB-CD1 3.88Å; I638-L719 HydrophobicContact CD1-CD1 4.09Å; I638-L719 HydrophobicContact CG2-CB 3.97Å; I638-L719 HydrophobicContact CG2-CD1 3.76Å
639	S	96.4	Very high	95.1	Very high	20 Å²	20	19.7 Å²	19.7	14%	0.14	10%	0.101	C	C	.	.	H	α-helix	trans	-57.4	-30.2	179.5	-60.2	0	0	0	0	113.9	K516 R635 A636 L637	K516-S639 WeakPolarHBondContact CG-O 3.41Å; R635-S639 PolarHBondContact O-N 3.32Å; R635-S639 PolarHBondContact O-OG 3.13Å; A636-S639 WeakPolarHBondContact O-CB 3.23Å; A636-S639 PolarHBondContact O-N 3.33Å; L637-S639 VanDerWaalsContact C-N 3.31Å; L637-S639 PolarHBondContact O-N 3.24Å
640	G	96.2	Very high	94.6	Very high	4 Å²	4	25 Å²	25	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-96.3	-33.3	175.8	0	0	0	0	0	114.8	L489 P513 L637 I638	L489-G640 WeakPolarHBondContact CD2-O 3.38Å; P513-G640 WeakPolarHBondContact CB-O 3.34Å; P513-G640 VanDerWaalsContact O-CA 3.25Å; P513-G640 WeakPolarHBondContact O-CA 3.45Å; L637-G640 PolarHBondContact O-N 3.36Å; I638-G640 PolarHBondContact O-N 2.92Å; I638-G640 VanDerWaalsContact O-N 3.15Å
641	F	96.3	Very high	94	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.022	15%	0.154	C	C	.	.	H	α-helix	trans	-118.6	20.3	-167.4	-64.6	-85.9	0	0	0	114	P513 L514 A517 L637 I638 L643 K644 L693 H695	P513-F641 HydrophobicContact CB-CD1 3.88Å; P513-F641 HydrophobicContact CB-CE1 3.62Å; P513-F641 HydrophobicContact CB-CE2 4.45Å; P513-F641 HydrophobicContact CB-CG 4.42Å; P513-F641 HydrophobicContact CB-CZ 3.93Å; L514-F641 HydrophobicContact CB-CE2 4.36Å; L514-F641 HydrophobicContact CB-CZ 3.92Å; L514-F641 HydrophobicContact CD1-CE2 3.99Å; L514-F641 HydrophobicContact CD1-CZ 4.08Å; A517-F641 HydrophobicContact CB-CD2 4.34Å; A517-F641 HydrophobicContact CB-CE2 4.12Å; L637-F641 HydrophobicContact CD2-CD2 4.38Å; L637-F641 HydrophobicContact CD2-CE2 4.47Å; L637-F641 WeakPolarHBondContact O-CB 3.29Å; L637-F641 WeakPolarHBondContact O-CD2 3.31Å; L637-F641 PolarHBondContact O-N 3.38Å; I638-F641 PolarHBondContact O-N 3.2Å; F641-L643 PolarHBondContact O-N 2.95Å; F641-L643 VanDerWaalsContact O-N 3.09Å; F641-K644 HydrophobicContact CD1-CD 4.04Å; F641-K644 CarbonylContact O-C 3.57Å; F641-K644 WeakPolarHBondContact O-CA 3.45Å; F641-K644 PolarHBondContact O-N 3.02Å; F641-L693 HydrophobicContact CB-CD1 3.96Å; F641-L693 HydrophobicContact CB-CD2 3.95Å; F641-L693 HydrophobicContact CB-CG 4.07Å; F641-H695 AromaticContact CE1-CE1 3.66Å; F641-H695 AromaticContact CE1-ND1 3.38Å; F641-H695 WeakPolarHBondContact CE1-ND1 3.44Å; F641-H695 AromaticContact CZ-CE1 3.52Å; F641-H695 AromaticContact CZ-ND1 3.42Å; F641-H695 WeakPolarHBondContact CZ-ND1 3.49Å
642	F	94.7	Very high	93.5	Very high	13 Å²	13	28.1 Å²	28.1	6%	0.057	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.6	178.9	62.4	-89.6	0	0	0	114.2	Y488 L489 I638 K644 V645 A720 Y723 F724	Y488-F642 WeakPolarHBondContact O-CZ 3.24Å; L489-F642 HydrophobicContact CD2-CE1 4.35Å; I638-F642 HydrophobicContact CG2-CB 4.22Å; I638-F642 VanDerWaalsContact O-CB 3.27Å; I638-F642 WeakPolarHBondContact O-CB 3.23Å; I638-F642 WeakPolarHBondContact O-CD1 3.4Å; I638-F642 PolarHBondContact O-N 2.96Å; F642-K644 VanDerWaalsContact C-N 3.26Å; F642-K644 PolarHBondContact O-N 3.18Å; F642-V645 WeakPolarHBondContact O-CG2 3.49Å; F642-A720 HydrophobicContact CB-CB 4Å; F642-A720 HydrophobicContact CD1-CB 4.33Å; F642-A720 HydrophobicContact CD2-CB 3.94Å; F642-A720 HydrophobicContact CE2-CB 4.46Å; F642-A720 HydrophobicContact CG-CB 3.84Å; F642-Y723 AromaticContact CD2-CD1 3.83Å; F642-Y723 HydrophobicContact CD2-CD1 3.83Å; F642-Y723 HydrophobicContact CD2-CG 4.03Å; F642-Y723 HydrophobicContact CE2-CD1 4.12Å; F642-Y723 HydrophobicContact CE2-CD2 4.43Å; F642-Y723 AromaticContact CE2-CG 3.83Å; F642-Y723 HydrophobicContact CE2-CG 3.83Å; F642-F724 HydrophobicContact CB-CE2 3.97Å; F642-F724 HydrophobicContact CB-CZ 4.12Å; F642-F724 VanDerWaalsContact O-CZ 3.29Å; F642-F724 WeakPolarHBondContact O-CZ 3.38Å
643	L	93.1	Very high	93	Very high	28 Å²	28	27.1 Å²	27.1	15%	0.147	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.8	172.2	-61.5	179.8	0	0	0	113.3	Y488 F641 T659 Y723	Y488-L643 HydrophobicContact CD2-CD1 4.09Å; Y488-L643 HydrophobicContact CD2-CD2 4.43Å; F641-L643 PolarHBondContact O-N 2.95Å; F641-L643 VanDerWaalsContact O-N 3.09Å; L643-T659 PolarHBondContact O-OG1 2.94Å; L643-Y723 HydrophobicContact CD2-CD1 3.96Å; L643-Y723 HydrophobicContact CD2-CD2 3.65Å; L643-Y723 HydrophobicContact CD2-CE1 3.64Å; L643-Y723 HydrophobicContact CD2-CE2 3.35Å; L643-Y723 HydrophobicContact CD2-CG 3.96Å
644	K	94.8	Very high	92.7	Very high	65 Å²	65	30 Å²	30	28%	0.283	18%	0.175	S	C	.	.	S	Bend	trans	-108.8	61.5	-178.7	-62.1	-166.4	-175.2	171.4	0	111.6	F641 F642 L693 Y694 H695	F641-K644 HydrophobicContact CD1-CD 4.04Å; F641-K644 CarbonylContact O-C 3.57Å; F641-K644 WeakPolarHBondContact O-CA 3.45Å; F641-K644 PolarHBondContact O-N 3.02Å; F642-K644 VanDerWaalsContact C-N 3.26Å; F642-K644 PolarHBondContact O-N 3.18Å; K644-L693 WeakPolarHBondContact O-CA 3.41Å; K644-Y694 HydrophobicContact CB-CD1 4.29Å; K644-Y694 HydrophobicContact CB-CD2 4.08Å; K644-Y694 HydrophobicContact CB-CE1 3.98Å; K644-Y694 HydrophobicContact CB-CE2 3.74Å; K644-Y694 HydrophobicContact CB-CG 4.33Å; K644-Y694 VanDerWaalsContact CB-O 3.23Å; K644-Y694 WeakPolarHBondContact CB-O 3.22Å; K644-Y694 HydrophobicContact CD-CD2 4.3Å; K644-Y694 HydrophobicContact CD-CE2 3.96Å; K644-Y694 WeakPolarHBondContact CD-O 3.44Å; K644-Y694 HydrophobicContact CG-CE2 3.97Å; K644-Y694 VanDerWaalsContact O-CD1 3.23Å; K644-Y694 WeakPolarHBondContact O-CD1 3.49Å; K644-Y694 WeakPolarHBondContact O-CE1 3.18Å; K644-Y694 PolarHBondContact O-N 3.42Å; K644-H695 WeakPolarHBondContact CD-O 3.4Å; K644-H695 PolarHBondContact NZ-O 3.38Å
645	V	95.7	Very high	92.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.1	176.3	179.4	0	0	0	0	110	F642 L658 W691 V692 V711 L716 F724	F642-V645 WeakPolarHBondContact O-CG2 3.49Å; V645-L658 HydrophobicContact CB-CD1 3.93Å; V645-L658 HydrophobicContact CG1-CD1 3.56Å; V645-L658 HydrophobicContact CG1-CG 4.37Å; V645-L658 PolarHBondContact O-N 3.47Å; V645-W691 HydrophobicContact CG1-CE3 4.09Å; V645-W691 HydrophobicContact CG1-CZ3 4.48Å; V645-V692 CarbonylContact C-O 3.54Å; V645-V692 WeakPolarHBondContact CA-O 3.48Å; V645-V711 HydrophobicContact CG1-CG2 4.43Å; V645-L716 HydrophobicContact CG1-CD1 3.84Å; V645-L716 HydrophobicContact CG2-CD1 4.44Å; V645-L716 HydrophobicContact CG2-CD2 3.99Å; V645-F724 HydrophobicContact CG2-CZ 4.38Å
646	A	95.3	Very high	92.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.5	176.2	0	0	0	0	0	111.7	Y655 L656 L657 V692 Y694 I705	A646-Y655 HydrophobicContact CB-CD1 4.26Å; A646-Y655 HydrophobicContact CB-CG 4.46Å; A646-L656 CarbonylContact C-O 3.56Å; A646-L656 VanDerWaalsContact CA-O 3.28Å; A646-L656 WeakPolarHBondContact CA-O 3.23Å; A646-L657 HydrophobicContact CB-CD1 4.24Å; A646-L657 HydrophobicContact CB-CG 4.32Å; A646-V692 HydrophobicContact CB-CG2 4.09Å; A646-V692 PolarHBondContact N-O 3.17Å; A646-V692 PolarHBondContact O-N 2.91Å; A646-Y694 HydrophobicContact CB-CD1 4.18Å; A646-Y694 HydrophobicContact CB-CE1 4.18Å; A646-I705 HydrophobicContact CB-CD1 4.41Å
647	H	94.4	Very high	92.1	Very high	20 Å²	20	27.7 Å²	27.7	9%	0.093	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.1	-175.8	177.3	-136.5	0	0	0	111	V649 L656 L658 S690 W691	H647-V649 PolarHBondContact O-N 2.92Å; H647-L656 PolarHBondContact N-O 3.13Å; H647-L656 PolarHBondContact O-N 2.98Å; H647-L658 HydrophobicContact CB-CD2 3.9Å; H647-S690 CarbonylContact C-O 3.49Å; H647-S690 VanDerWaalsContact CA-O 3.32Å; H647-S690 WeakPolarHBondContact CA-O 3.33Å; H647-S690 PolarHBondContact CD2-O 3.34Å; H647-W691 HydrophobicContact CB-CD2 4.26Å; H647-W691 HydrophobicContact CB-CE3 4.29Å; H647-W691 HydrophobicContact CB-CH2 4.23Å; H647-W691 HydrophobicContact CB-CZ2 4.15Å; H647-W691 HydrophobicContact CB-CZ3 4.32Å; H647-W691 AromaticContact CD2-CD1 3.62Å; H647-W691 AromaticContact CD2-CD2 3.73Å; H647-W691 AromaticContact CD2-CE2 3.12Å; H647-W691 AromaticContact CD2-CG 3.97Å; H647-W691 AromaticContact CD2-CZ2 3.46Å; H647-W691 VanDerWaalsContact CD2-CZ2 3.46Å; H647-W691 WeakPolarHBondContact CD2-CZ2 3.34Å; H647-W691 AromaticContact CD2-NE1 3.05Å; H647-W691 PolarHBondContact CD2-NE1 2.92Å; H647-W691 AromaticContact CE1-CZ2 3.74Å; H647-W691 AromaticContact CG-CE2 3.62Å; H647-W691 AromaticContact CG-CZ2 3.53Å; H647-W691 AromaticContact ND1-CZ2 3.71Å; H647-W691 AromaticContact NE2-CE2 3.46Å; H647-W691 AromaticContact NE2-CZ2 3.58Å; H647-W691 AromaticContact NE2-NE1 3.16Å; H647-W691 PolarHBondContact NE2-NE1 3.48Å; H647-W691 VanDerWaalsContact NE2-NE1 3.16Å
648	D	92.6	Very high	91.8	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.043	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	103.9	169.6	-176.7	3	0	0	0	109.4	G651 S652 G653 Y655 S690	D648-G651 WeakPolarHBondContact OD1-CA 3.18Å; D648-G651 PolarHBondContact OD1-N 3.23Å; D648-G651 VanDerWaalsContact OD2-C 3.31Å; D648-G651 VanDerWaalsContact OD2-CA 3.28Å; D648-G651 WeakPolarHBondContact OD2-CA 3.33Å; D648-S652 PolarHBondContact OD1-N 2.81Å; D648-S652 PolarHBondContact OD2-N 3.47Å; D648-G653 VanDerWaalsContact OD2-CA 3.32Å; D648-G653 WeakPolarHBondContact OD2-CA 3.45Å; D648-G653 PolarHBondContact OD2-N 3.16Å; D648-Y655 HydrophobicContact CB-CD1 3.92Å; D648-Y655 HydrophobicContact CB-CE1 3.74Å; D648-Y655 HydrophobicContact CB-CE2 4.4Å; D648-Y655 HydrophobicContact CB-CG 4.34Å; D648-S690 PolarHBondContact N-O 2.77Å
649	V	83.7	Confident	91.2	Very high	68 Å²	68	28.3 Å²	28.3	41%	0.412	17%	0.172	S	C	.	.	S	Bend	trans	-77.1	-35.4	-170.8	-177.4	0	0	0	0	112.1	H647	H647-V649 PolarHBondContact O-N 2.92Å
650	D	83.4	Confident	90.5	Very high	115 Å²	115	29.5 Å²	29.5	62%	0.615	18%	0.176	S	C	*	.	S	Bend	trans	-113.1	-0.2	-171.5	65.9	-9.4	0	0	0	113.6	S652	D650-S652 PolarHBondContact O-N 3.4Å; D650-S652 WeakPolarHBondContact OD1-CB 3.45Å; D650-S652 PolarHBondContact OD1-N 3.18Å; D650-S652 VanDerWaalsContact OD1-N 3.11Å; D650-S652 PolarHBondContact OD1-OG 3.28Å; D650-S652 PolarHBondContact OD2-OG 2.76Å
651	G	82.6	Confident	89.9	Confident	59 Å²	59	35.8 Å²	35.8	61%	0.608	20%	0.198	S	C	*	.	S	Bend	trans	72.8	15.3	-178.8	0	0	0	0	0	112.9	D648 G653	D648-G651 WeakPolarHBondContact OD1-CA 3.18Å; D648-G651 PolarHBondContact OD1-N 3.23Å; D648-G651 VanDerWaalsContact OD2-C 3.31Å; D648-G651 VanDerWaalsContact OD2-CA 3.28Å; D648-G651 WeakPolarHBondContact OD2-CA 3.33Å; G651-G653 VanDerWaalsContact C-N 3.29Å
652	S	83.9	Confident	89.5	Confident	62 Å²	62	38.2 Å²	38.2	43%	0.434	21%	0.21	S	C	.	.	S	Bend	trans	-83.4	-5.3	-178.9	68.3	0	0	0	0	113.3	D648 D650 N654	D648-S652 PolarHBondContact OD1-N 2.81Å; D648-S652 PolarHBondContact OD2-N 3.47Å; D650-S652 PolarHBondContact O-N 3.4Å; D650-S652 WeakPolarHBondContact OD1-CB 3.45Å; D650-S652 PolarHBondContact OD1-N 3.18Å; D650-S652 VanDerWaalsContact OD1-N 3.11Å; D650-S652 PolarHBondContact OD1-OG 3.28Å; D650-S652 PolarHBondContact OD2-OG 2.76Å; S652-N654 VanDerWaalsContact C-N 3.34Å; S652-N654 WeakPolarHBondContact OG-CB 3.27Å; S652-N654 PolarHBondContact OG-ND2 3.24Å
653	G	85.7	Confident	89.4	Confident	9 Å²	9	41.1 Å²	41.1	9%	0.093	23%	0.228	C	C	.	.	S	Bend	trans	79.6	18.5	-171.2	0	0	0	0	0	113.3	D648 G651 H665	D648-G653 VanDerWaalsContact OD2-CA 3.32Å; D648-G653 WeakPolarHBondContact OD2-CA 3.45Å; D648-G653 PolarHBondContact OD2-N 3.16Å; G651-G653 VanDerWaalsContact C-N 3.29Å; G653-H665 PolarHBondContact O-ND1 2.98Å
654	N	90.7	Very high	89.4	Confident	59 Å²	59	39.8 Å²	39.8	32%	0.316	22%	0.221	S	C	.	.			trans	-101.7	100.4	174.4	-63.9	-26.6	0	0	0	108.9	S652 V663 H665	S652-N654 VanDerWaalsContact C-N 3.34Å; S652-N654 WeakPolarHBondContact OG-CB 3.27Å; S652-N654 PolarHBondContact OG-ND2 3.24Å; N654-V663 HydrophobicContact CB-CG1 3.97Å; N654-H665 PolarHBondContact OD1-CE1 3.03Å; N654-H665 PolarHBondContact OD1-ND1 2.85Å
655	Y	93.6	Very high	89.3	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.1	-176.2	-71.4	-93.7	0	0	0	110.7	A646 D648 V663 A664 L666 P688 P689 V692 I705	A646-Y655 HydrophobicContact CB-CD1 4.26Å; A646-Y655 HydrophobicContact CB-CG 4.46Å; D648-Y655 HydrophobicContact CB-CD1 3.92Å; D648-Y655 HydrophobicContact CB-CE1 3.74Å; D648-Y655 HydrophobicContact CB-CE2 4.4Å; D648-Y655 HydrophobicContact CB-CG 4.34Å; Y655-V663 WeakPolarHBondContact O-CA 3.43Å; Y655-A664 WeakPolarHBondContact CA-O 3.39Å; Y655-A664 WeakPolarHBondContact CB-O 3.38Å; Y655-A664 PolarHBondContact N-O 3.3Å; Y655-A664 PolarHBondContact O-N 3.11Å; Y655-L666 HydrophobicContact CD2-CG 4.23Å; Y655-L666 HydrophobicContact CE2-CD1 3.88Å; Y655-L666 HydrophobicContact CE2-CD2 4.35Å; Y655-L666 HydrophobicContact CE2-CG 3.64Å; Y655-P688 WeakPolarHBondContact OH-CB 3.49Å; Y655-P689 VanDerWaalsContact CE1-O 3.25Å; Y655-P689 WeakPolarHBondContact CE1-O 3.28Å; Y655-P689 PolarHBondContact OH-O 3.43Å; Y655-V692 HydrophobicContact CD1-CG2 3.6Å; Y655-V692 HydrophobicContact CE1-CB 4.43Å; Y655-V692 HydrophobicContact CE1-CG1 3.95Å; Y655-V692 HydrophobicContact CE1-CG2 3.65Å; Y655-V692 HydrophobicContact CG-CG2 4.39Å; Y655-I705 HydrophobicContact CG-CD1 4.35Å
656	L	93.6	Very high	89.2	Confident	41 Å²	41	39.9 Å²	39.9	22%	0.215	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	115.4	169.7	-174.4	70.7	0	0	0	109.5	A646 H647 L658 R661 V663	A646-L656 CarbonylContact C-O 3.56Å; A646-L656 VanDerWaalsContact CA-O 3.28Å; A646-L656 WeakPolarHBondContact CA-O 3.23Å; H647-L656 PolarHBondContact N-O 3.13Å; H647-L656 PolarHBondContact O-N 2.98Å; L656-L658 PolarHBondContact O-N 3Å; L656-R661 HydrophobicContact CD1-CB 4.12Å; L656-V663 HydrophobicContact CD1-CG2 4.05Å
657	L	92.9	Very high	89	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	120.7	173.4	-77.5	67.2	0	0	0	108.9	A646 T659 R661 H662 A664 Y694 F697 I705	A646-L657 HydrophobicContact CB-CD1 4.24Å; A646-L657 HydrophobicContact CB-CG 4.32Å; L657-T659 PolarHBondContact O-N 2.63Å; L657-R661 VanDerWaalsContact O-CA 3.26Å; L657-R661 WeakPolarHBondContact O-CA 2.96Å; L657-R661 PolarHBondContact O-N 2.84Å; L657-H662 WeakPolarHBondContact CD1-O 3.3Å; L657-H662 HydrophobicContact CD2-CB 4.36Å; L657-H662 PolarHBondContact N-O 3.01Å; L657-A664 HydrophobicContact CD1-CB 3.74Å; L657-Y694 HydrophobicContact CD2-CE1 4.29Å; L657-Y694 VanDerWaalsContact CD2-OH 3.32Å; L657-Y694 WeakPolarHBondContact CD2-OH 3.5Å; L657-Y694 HydrophobicContact CG-CE1 3.97Å; L657-F697 HydrophobicContact CD2-CB 4.34Å; L657-F697 HydrophobicContact CD2-CD1 3.53Å; L657-F697 HydrophobicContact CD2-CD2 4.03Å; L657-F697 HydrophobicContact CD2-CE1 3.73Å; L657-F697 HydrophobicContact CD2-CE2 4.21Å; L657-F697 HydrophobicContact CD2-CG 3.69Å; L657-F697 HydrophobicContact CD2-CZ 4.07Å; L657-I705 HydrophobicContact CD1-CG2 4.26Å
658	L	90.1	Very high	88.7	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-39.4	-166.4	-64.2	-179.8	0	0	0	113.2	V645 H647 L656 W691 F724 L728	V645-L658 HydrophobicContact CB-CD1 3.93Å; V645-L658 HydrophobicContact CG1-CD1 3.56Å; V645-L658 HydrophobicContact CG1-CG 4.37Å; V645-L658 PolarHBondContact O-N 3.47Å; H647-L658 HydrophobicContact CB-CD2 3.9Å; L656-L658 PolarHBondContact O-N 3Å; L658-W691 HydrophobicContact CD1-CE3 4.26Å; L658-W691 HydrophobicContact CD1-CH2 4.28Å; L658-W691 HydrophobicContact CD1-CZ3 3.52Å; L658-W691 HydrophobicContact CD2-CZ3 4.46Å; L658-F724 HydrophobicContact CD1-CE1 4.36Å; L658-L728 HydrophobicContact CB-CD1 3.8Å
659	T	85.4	Confident	88.5	Confident	11 Å²	11	46.1 Å²	46.1	7%	0.067	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-38.5	-175.1	-52.6	0	0	0	0	112.7	L643 L657 Y723 P729	L643-T659 PolarHBondContact O-OG1 2.94Å; L657-T659 PolarHBondContact O-N 2.63Å; T659-Y723 WeakPolarHBondContact CB-OH 3.45Å; T659-Y723 WeakPolarHBondContact CG2-OH 3.23Å; T659-Y723 PolarHBondContact OG1-OH 3.45Å; T659-P729 WeakPolarHBondContact O-CG 3.38Å
660	H	81.1	Confident	88.9	Confident	45 Å²	45	43 Å²	43	21%	0.208	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	3.7	-170.3	-56.2	-69.4	0	0	0	114.9	Q393 I394 R395 H662	Q393-H660 PolarHBondContact O-CE1 2.68Å; Q393-H660 PolarHBondContact O-ND1 3.26Å; Q393-H660 VanDerWaalsContact O-ND1 3.1Å; I394-H660 VanDerWaalsContact C-CE1 3.4Å; I394-H660 WeakPolarHBondContact CA-ND1 3.49Å; I394-H660 HydrophobicContact CB-CB 4.37Å; I394-H660 PolarHBondContact O-CD2 3.17Å; I394-H660 VanDerWaalsContact O-CG 3.3Å; I394-H660 PolarHBondContact O-NE2 3.32Å; I394-H660 VanDerWaalsContact O-NE2 3.16Å; R395-H660 VanDerWaalsContact CB-NE2 3.26Å; R395-H660 WeakPolarHBondContact CB-NE2 3.46Å; R395-H660 WeakPolarHBondContact CD-NE2 3.41Å; R395-H660 VanDerWaalsContact CG-CE1 3.47Å; R395-H660 WeakPolarHBondContact CG-CE1 3.39Å; R395-H660 WeakPolarHBondContact CG-NE2 3.17Å; H660-H662 PolarHBondContact O-N 3.4Å; H660-H662 VanDerWaalsContact O-N 3.13Å
661	R	83.8	Confident	89.2	Confident	137 Å²	137	37.5 Å²	37.5	52%	0.517	21%	0.207	S	C	.	.			trans	56.2	27.6	177.2	-54.1	-176.6	-177.9	165.4	4.6	114.8	L656 L657 A730	L656-R661 HydrophobicContact CD1-CB 4.12Å; L657-R661 VanDerWaalsContact O-CA 3.26Å; L657-R661 WeakPolarHBondContact O-CA 2.96Å; L657-R661 PolarHBondContact O-N 2.84Å; R661-A730 PolarHBondContact NE-O 3.13Å; R661-A730 PolarHBondContact NH2-O 3.42Å
662	H	88.8	Confident	89.5	Confident	56 Å²	56	35.8 Å²	35.8	26%	0.259	18%	0.183	S	C	.	.			trans	-77.2	148.6	167.5	-80	-80.8	0	0	0	110.1	I394 L657 H660 F697	I394-H662 WeakPolarHBondContact CG2-NE2 3.26Å; L657-H662 WeakPolarHBondContact CD1-O 3.3Å; L657-H662 HydrophobicContact CD2-CB 4.36Å; L657-H662 PolarHBondContact N-O 3.01Å; H660-H662 PolarHBondContact O-N 3.4Å; H660-H662 VanDerWaalsContact O-N 3.13Å; H662-F697 HydrophobicContact CB-CE1 4.36Å; H662-F697 HydrophobicContact CB-CZ 4.16Å
663	V	91.9	Very high	89.7	Confident	74 Å²	74	37.3 Å²	37.3	45%	0.448	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.2	173.7	-178.9	0	0	0	0	108.8	N654 Y655 L656	N654-V663 HydrophobicContact CB-CG1 3.97Å; Y655-V663 WeakPolarHBondContact O-CA 3.43Å; L656-V663 HydrophobicContact CD1-CG2 4.05Å
664	A	93.6	Very high	89.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	163.7	176.3	0	0	0	0	0	110.4	Y655 L657 F697 N703 I705	Y655-A664 WeakPolarHBondContact CA-O 3.39Å; Y655-A664 WeakPolarHBondContact CB-O 3.38Å; Y655-A664 PolarHBondContact N-O 3.3Å; Y655-A664 PolarHBondContact O-N 3.11Å; L657-A664 HydrophobicContact CD1-CB 3.74Å; A664-F697 HydrophobicContact CB-CD2 4.18Å; A664-F697 HydrophobicContact CB-CE2 3.78Å; A664-N703 VanDerWaalsContact CA-O 3.29Å; A664-N703 WeakPolarHBondContact CA-O 3.44Å; A664-N703 HydrophobicContact CB-CB 4.3Å; A664-N703 WeakPolarHBondContact CB-O 3.44Å; A664-I705 HydrophobicContact CB-CG2 4.01Å
665	H	93.2	Very high	88.8	Confident	67 Å²	67	39.8 Å²	39.8	31%	0.31	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	163.6	171.5	-47.8	-81.3	0	0	0	110.5	G653 N654 H667 N703 C704 I705	G653-H665 PolarHBondContact O-ND1 2.98Å; N654-H665 PolarHBondContact OD1-CE1 3.03Å; N654-H665 PolarHBondContact OD1-ND1 2.85Å; H665-H667 PolarHBondContact O-N 3.32Å; H665-N703 PolarHBondContact N-O 3.23Å; H665-C704 CarbonylContact O-C 3.54Å; H665-C704 WeakPolarHBondContact O-CA 3.45Å; H665-I705 WeakPolarHBondContact O-CG1 3.35Å; H665-I705 PolarHBondContact O-N 2.96Å
666	L	93	Very high	87.5	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	138.2	166.6	-68.6	170.7	0	0	0	110.1	Y655 Y672 R673 P688 I705 A708	Y655-L666 HydrophobicContact CD2-CG 4.23Å; Y655-L666 HydrophobicContact CE2-CD1 3.88Å; Y655-L666 HydrophobicContact CE2-CD2 4.35Å; Y655-L666 HydrophobicContact CE2-CG 3.64Å; L666-Y672 HydrophobicContact CD1-CD2 4.13Å; L666-Y672 HydrophobicContact CD1-CG 4.46Å; L666-R673 PolarHBondContact O-NE 3.2Å; L666-R673 PolarHBondContact O-NH1 3.33Å; L666-P688 HydrophobicContact CD1-CB 3.56Å; L666-P688 HydrophobicContact CD1-CG 4.31Å; L666-I705 HydrophobicContact CD2-CD1 3.78Å; L666-I705 HydrophobicContact CD2-CG1 4.05Å; L666-A708 HydrophobicContact CD2-CB 3.55Å
667	H	91.4	Very high	85.6	Confident	37 Å²	37	44.8 Å²	44.8	17%	0.171	21%	0.21	C	C	.	.			trans	-51.2	139.9	172.9	-171.7	-102	0	0	0	111.3	H665 F669 S670 C704 I705 R706	H665-H667 PolarHBondContact O-N 3.32Å; H667-F669 AromaticContact CE1-CD2 3.78Å; H667-F669 PolarHBondContact ND1-N 3.25Å; H667-F669 PolarHBondContact O-N 3.27Å; H667-S670 VanDerWaalsContact O-CB 3.29Å; H667-S670 WeakPolarHBondContact O-CB 3.08Å; H667-S670 PolarHBondContact O-N 3.46Å; H667-C704 HydrophobicContact CB-CB 4.46Å; H667-I705 WeakPolarHBondContact CB-O 3.3Å; H667-I705 PolarHBondContact N-O 3.19Å; H667-R706 HydrophobicContact CB-CG 4Å; H667-R706 PolarHBondContact CD2-NE 3.48Å; H667-R706 PolarHBondContact NE2-NH2 2.76Å
668	P	87.6	Confident	83.7	Confident	59 Å²	59	48.5 Å²	48.5	38%	0.383	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.7	-176.6	-29	36	0	0	0	114.5	R673	P668-R673 WeakPolarHBondContact O-CB 3.39Å
669	F	88.1	Confident	82	Confident	62 Å²	62	55.2 Å²	55.2	27%	0.272	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	9.6	179.7	-57.3	-41.1	0	0	0	115.2	P546 Q551 V555 W558 H667 C674	P546-F669 HydrophobicContact CG-CE2 4.45Å; P546-F669 HydrophobicContact CG-CZ 4.17Å; Q551-F669 HydrophobicContact CG-CZ 4.27Å; V555-F669 HydrophobicContact CG2-CD1 4.38Å; V555-F669 HydrophobicContact CG2-CE1 4.45Å; W558-F669 HydrophobicContact CH2-CD2 4.36Å; W558-F669 HydrophobicContact CH2-CG 4.43Å; W558-F669 HydrophobicContact CZ3-CB 4.07Å; W558-F669 AromaticContact CZ3-CD1 3.94Å; W558-F669 HydrophobicContact CZ3-CD1 3.94Å; W558-F669 HydrophobicContact CZ3-CD2 4.21Å; W558-F669 HydrophobicContact CZ3-CE1 4.45Å; W558-F669 AromaticContact CZ3-CG 3.83Å; W558-F669 HydrophobicContact CZ3-CG 3.83Å; H667-F669 AromaticContact CE1-CD2 3.78Å; H667-F669 PolarHBondContact ND1-N 3.25Å; H667-F669 PolarHBondContact O-N 3.27Å; F669-C674 VanDerWaalsContact CA-SG 3.58Å
670	S	91.4	Very high	80.3	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.014	31%	0.311	C	S	.	.	S	Bend	trans	-58.5	147.5	172.7	178.4	0	0	0	0	111	D567 H667 Y672 R673 C674	D567-S670 PolarHBondContact OD1-OG 3.22Å; D567-S670 PolarHBondContact OD2-OG 3.35Å; H667-S670 VanDerWaalsContact O-CB 3.29Å; H667-S670 WeakPolarHBondContact O-CB 3.08Å; H667-S670 PolarHBondContact O-N 3.46Å; S670-Y672 PolarHBondContact O-N 2.96Å; S670-Y672 VanDerWaalsContact O-N 3.14Å; S670-R673 PolarHBondContact O-N 3.47Å; S670-C674 PolarHBondContact O-N 3.36Å
671	S	91.1	Very high	78.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-54.3	-35.6	-179.6	73.7	0	0	0	0	112	H563 G566 D567 R673 R675	H563-S671 PolarHBondContact O-OG 3.38Å; G566-S671 WeakPolarHBondContact CA-OG 3.29Å; D567-S671 VanDerWaalsContact OD1-CB 3.31Å; D567-S671 WeakPolarHBondContact OD1-CB 3.43Å; D567-S671 PolarHBondContact OD1-N 3.39Å; D567-S671 PolarHBondContact OD1-OG 2.95Å; S671-R673 VanDerWaalsContact C-N 3.32Å; S671-R673 PolarHBondContact O-N 2.93Å; S671-R675 VanDerWaalsContact O-CB 3.24Å; S671-R675 WeakPolarHBondContact O-CB 3.14Å; S671-R675 WeakPolarHBondContact O-CG 3.29Å; S671-R675 PolarHBondContact O-N 3.37Å
672	Y	89.6	Confident	77.3	Confident	24 Å²	24	60.2 Å²	60.2	9%	0.094	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-32.7	177.4	-59.8	-63.8	0	0	0	113.8	P564 E565 G566 L666 S670 P689 A708 E710	P564-Y672 VanDerWaalsContact O-CE1 3.3Å; P564-Y672 WeakPolarHBondContact O-CE1 3.44Å; E565-Y672 PolarHBondContact O-OH 3.4Å; G566-Y672 VanDerWaalsContact CA-CZ 3.49Å; G566-Y672 WeakPolarHBondContact CA-OH 3.47Å; G566-Y672 PolarHBondContact N-OH 2.9Å; L666-Y672 HydrophobicContact CD1-CD2 4.13Å; L666-Y672 HydrophobicContact CD1-CG 4.46Å; S670-Y672 PolarHBondContact O-N 2.96Å; S670-Y672 VanDerWaalsContact O-N 3.14Å; Y672-P689 HydrophobicContact CD1-CG 4.2Å; Y672-P689 HydrophobicContact CD2-CG 4.45Å; Y672-P689 HydrophobicContact CE1-CG 3.75Å; Y672-P689 HydrophobicContact CE2-CG 4.02Å; Y672-A708 WeakPolarHBondContact CE2-O 3.43Å; Y672-E710 WeakPolarHBondContact OH-CB 3.15Å; Y672-E710 PolarHBondContact OH-N 3.08Å
673	R	86.1	Confident	75.6	Confident	93 Å²	93	63.3 Å²	63.3	35%	0.351	36%	0.362	S	S	.	.	H	α-helix	trans	-85.8	-43.4	178.1	-71.4	-170.6	166.5	-172.7	-2.3	111.4	L666 P668 S670 S671 R675 Q676	L666-R673 PolarHBondContact O-NE 3.2Å; L666-R673 PolarHBondContact O-NH1 3.33Å; P668-R673 WeakPolarHBondContact O-CB 3.39Å; S670-R673 PolarHBondContact O-N 3.47Å; S671-R673 VanDerWaalsContact C-N 3.32Å; S671-R673 PolarHBondContact O-N 2.93Å; R673-R675 VanDerWaalsContact C-N 3.33Å; R673-R675 PolarHBondContact O-N 2.92Å; R673-Q676 WeakPolarHBondContact O-CB 3.39Å; R673-Q676 WeakPolarHBondContact O-CG 3.37Å; R673-Q676 PolarHBondContact O-N 2.93Å
674	C	84.7	Confident	73.4	Confident	8 Å²	8	64.7 Å²	64.7	5%	0.054	37%	0.374	C	S	.	.	H	α-helix	trans	-71.3	-23.7	-178	-71.1	0	0	0	0	114.3	V555 L562 F669 S670 Q676	V555-C674 HydrophobicContact CG1-CB 4.03Å; L562-C674 HydrophobicContact CD1-CB 3.37Å; F669-C674 VanDerWaalsContact CA-SG 3.58Å; S670-C674 PolarHBondContact O-N 3.36Å; C674-Q676 VanDerWaalsContact C-N 3.29Å
675	R	74.7	Confident	71.4	Confident	112 Å²	112	68 Å²	68	42%	0.423	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.1	175.2	-69.4	176.8	87.1	-125.7	4.6	113.5	L562 P564 S671 R673	L562-R675 HydrophobicContact CB-CG 3.73Å; L562-R675 HydrophobicContact CD1-CG 3.65Å; L562-R675 HydrophobicContact CG-CG 4.34Å; P564-R675 VanDerWaalsContact CB-NH1 3.29Å; S671-R675 VanDerWaalsContact O-CB 3.24Å; S671-R675 WeakPolarHBondContact O-CB 3.14Å; S671-R675 WeakPolarHBondContact O-CG 3.29Å; S671-R675 PolarHBondContact O-N 3.37Å; R673-R675 VanDerWaalsContact C-N 3.33Å; R673-R675 PolarHBondContact O-N 2.92Å
676	Q	64.9	Low	69.8	Low	83 Å²	83	69.5 Å²	69.5	39%	0.388	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-63	130.1	178.4	-66.8	-173.7	-0.6	0	0	110.3	R673 C674 P685	R673-Q676 WeakPolarHBondContact O-CB 3.39Å; R673-Q676 WeakPolarHBondContact O-CG 3.37Å; R673-Q676 PolarHBondContact O-N 2.93Å; C674-Q676 VanDerWaalsContact C-N 3.29Å; Q676-P685 HydrophobicContact CG-CB 4.35Å
677	P	54.3	Low	68.7	Low	65 Å²	65	74 Å²	74	42%	0.422	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-65.3	154.3	178.6	26.4	-32.5	0	0	0	110.6
678	P	53.8	Low	68.4	Low	80 Å²	80	73.6 Å²	73.6	52%	0.519	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-57.1	155	175	22.5	-31.8	0	0	0	111.4	S680 S681	P678-S680 PolarHBondContact O-N 3Å; P678-S681 PolarHBondContact O-OG 3.41Å
679	P	53	Low	68.6	Low	144 Å²	144	71.4 Å²	71.4	94%	0.935	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	6	-171.2	23	-33.9	0	0	0	116
680	S	51.3	Low	68.8	Low	108 Å²	108	71.3 Å²	71.3	76%	0.755	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	9.6	-178	53.7	0	0	0	0	115.1	P678	P678-S680 PolarHBondContact O-N 3Å
681	S	49.6	Very low	68.9	Low	65 Å²	65	71.7 Å²	71.7	46%	0.455	44%	0.438	S	S	.	.	S	Bend	trans	-115.1	137.7	177.8	52.6	0	0	0	0	113	P678	P678-S681 PolarHBondContact O-OG 3.41Å
682	P	50.9	Low	69.2	Low	125 Å²	125	71.7 Å²	71.7	81%	0.812	44%	0.438	S	S	*	.			trans	-77.1	164.9	-177.8	33.6	-34.5	0	0	0	112.7
683	P	53.4	Low	69.6	Low	121 Å²	121	70.6 Å²	70.6	79%	0.786	43%	0.434	S	S	*	.	S	Bend		-100.5	106.7	-110.3	36.5	-24.8	0	0	0	112.7
684	S	45.7	Very low	70	Confident	102 Å²	102	66.8 Å²	66.8	71%	0.713	42%	0.42	S	S	*	.			trans	177.4	95.4	135.2	51.3	0	0	0	0	105.9
685	P	52	Low	70.5	Confident	70 Å²	70	67.7 Å²	67.7	46%	0.455	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-52.8	139.5	160.3	25.2	-31.8	0	0	0	106.9	Q676 S687	Q676-P685 HydrophobicContact CG-CB 4.35Å; P685-S687 PolarHBondContact O-N 3.27Å
686	P	58.4	Low	71.4	Confident	98 Å²	98	66.4 Å²	66.4	64%	0.636	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-55	116.7	173.5	22.8	-30.6	0	0	0	106.6
687	S	70.9	Confident	72.7	Confident	96 Å²	96	63.2 Å²	63.2	67%	0.671	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-55.2	142.2	172.3	50.4	0	0	0	0	107.3	P685	P685-S687 PolarHBondContact O-N 3.27Å
688	P	84.4	Confident	74.4	Confident	29 Å²	29	61.9 Å²	61.9	19%	0.188	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-56.2	151.3	173.6	29.9	-36.8	0	0	0	109.5	Y655 L666	Y655-P688 WeakPolarHBondContact OH-CB 3.49Å; L666-P688 HydrophobicContact CD1-CB 3.56Å; L666-P688 HydrophobicContact CD1-CG 4.31Å
689	P	91.3	Very high	76.2	Confident	13 Å²	13	59.8 Å²	59.8	8%	0.084	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-60.5	141.9	-175.3	25.1	-35.8	0	0	0	111	Y655 Y672 W691 V692 E710	Y655-P689 VanDerWaalsContact CE1-O 3.25Å; Y655-P689 WeakPolarHBondContact CE1-O 3.28Å; Y655-P689 PolarHBondContact OH-O 3.43Å; Y672-P689 HydrophobicContact CD1-CG 4.2Å; Y672-P689 HydrophobicContact CD2-CG 4.45Å; Y672-P689 HydrophobicContact CE1-CG 3.75Å; Y672-P689 HydrophobicContact CE2-CG 4.02Å; P689-W691 VanDerWaalsContact C-N 3.29Å; P689-W691 PolarHBondContact O-N 2.77Å; P689-V692 HydrophobicContact CB-CG1 4.38Å; P689-V692 HydrophobicContact CG-CG1 3.61Å; P689-E710 HydrophobicContact CB-CB 3.82Å; P689-E710 HydrophobicContact CB-CG 3.63Å; P689-E710 HydrophobicContact CG-CB 3.93Å; P689-E710 HydrophobicContact CG-CG 4.32Å
690	S	92.3	Very high	77.9	Confident	60 Å²	60	54.8 Å²	54.8	42%	0.42	35%	0.351	S	S	.	.	S	Bend	trans	-69.3	-28.1	-177.7	51	0	0	0	0	113	H647 D648	H647-S690 CarbonylContact C-O 3.49Å; H647-S690 VanDerWaalsContact CA-O 3.32Å; H647-S690 WeakPolarHBondContact CA-O 3.33Å; H647-S690 PolarHBondContact CD2-O 3.34Å; D648-S690 PolarHBondContact N-O 2.77Å
691	W	95.3	Very high	79.3	Confident	10 Å²	10	61.5 Å²	61.5	4%	0.038	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.9	179.1	-70.4	78.9	0	0	0	110.2	V645 H647 L658 P689 V711 P713 L716 L736 L737	V645-W691 HydrophobicContact CG1-CE3 4.09Å; V645-W691 HydrophobicContact CG1-CZ3 4.48Å; H647-W691 HydrophobicContact CB-CD2 4.26Å; H647-W691 HydrophobicContact CB-CE3 4.29Å; H647-W691 HydrophobicContact CB-CH2 4.23Å; H647-W691 HydrophobicContact CB-CZ2 4.15Å; H647-W691 HydrophobicContact CB-CZ3 4.32Å; H647-W691 AromaticContact CD2-CD1 3.62Å; H647-W691 AromaticContact CD2-CD2 3.73Å; H647-W691 AromaticContact CD2-CE2 3.12Å; H647-W691 AromaticContact CD2-CG 3.97Å; H647-W691 AromaticContact CD2-CZ2 3.46Å; H647-W691 VanDerWaalsContact CD2-CZ2 3.46Å; H647-W691 WeakPolarHBondContact CD2-CZ2 3.34Å; H647-W691 AromaticContact CD2-NE1 3.05Å; H647-W691 PolarHBondContact CD2-NE1 2.92Å; H647-W691 AromaticContact CE1-CZ2 3.74Å; H647-W691 AromaticContact CG-CE2 3.62Å; H647-W691 AromaticContact CG-CZ2 3.53Å; H647-W691 AromaticContact ND1-CZ2 3.71Å; H647-W691 AromaticContact NE2-CE2 3.46Å; H647-W691 AromaticContact NE2-CZ2 3.58Å; H647-W691 AromaticContact NE2-NE1 3.16Å; H647-W691 PolarHBondContact NE2-NE1 3.48Å; H647-W691 VanDerWaalsContact NE2-NE1 3.16Å; L658-W691 HydrophobicContact CD1-CE3 4.26Å; L658-W691 HydrophobicContact CD1-CH2 4.28Å; L658-W691 HydrophobicContact CD1-CZ3 3.52Å; L658-W691 HydrophobicContact CD2-CZ3 4.46Å; P689-W691 VanDerWaalsContact C-N 3.29Å; P689-W691 PolarHBondContact O-N 2.77Å; W691-V711 HydrophobicContact CB-CG2 4.28Å; W691-V711 WeakPolarHBondContact CB-O 3.39Å; W691-V711 PolarHBondContact O-N 3.5Å; W691-V711 VanDerWaalsContact O-N 3.1Å; W691-P713 HydrophobicContact CD2-CB 4.18Å; W691-P713 HydrophobicContact CE3-CB 4.37Å; W691-P713 HydrophobicContact CZ2-CB 4.48Å; W691-L716 HydrophobicContact CE3-CD1 3.83Å; W691-L716 HydrophobicContact CZ3-CD1 3.95Å; W691-L736 HydrophobicContact CZ2-CD2 3.54Å; W691-L737 HydrophobicContact CH2-CD1 4.2Å; W691-L737 HydrophobicContact CH2-CD2 4.27Å; W691-L737 HydrophobicContact CH2-CG 4.04Å; W691-L737 HydrophobicContact CZ3-CD1 4.2Å; W691-L737 HydrophobicContact CZ3-CD2 4.26Å; W691-L737 HydrophobicContact CZ3-CG 4.34Å
692	V	96.6	Very high	81.1	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.9	179.8	-64	0	0	0	0	111.6	V645 A646 Y655 P689 I705 A708 S709	V645-V692 CarbonylContact C-O 3.54Å; V645-V692 WeakPolarHBondContact CA-O 3.48Å; A646-V692 HydrophobicContact CB-CG2 4.09Å; A646-V692 PolarHBondContact N-O 3.17Å; A646-V692 PolarHBondContact O-N 2.91Å; Y655-V692 HydrophobicContact CD1-CG2 3.6Å; Y655-V692 HydrophobicContact CE1-CB 4.43Å; Y655-V692 HydrophobicContact CE1-CG1 3.95Å; Y655-V692 HydrophobicContact CE1-CG2 3.65Å; Y655-V692 HydrophobicContact CG-CG2 4.39Å; P689-V692 HydrophobicContact CB-CG1 4.38Å; P689-V692 HydrophobicContact CG-CG1 3.61Å; V692-I705 HydrophobicContact CG2-CD1 3.61Å; V692-A708 HydrophobicContact CB-CB 4.36Å; V692-S709 CarbonylContact C-O 3.56Å; V692-S709 WeakPolarHBondContact CA-O 3.41Å
693	L	97.2	Very high	82.9	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.2	161.4	-179	153.7	0	0	0	107.9	L637 I638 F641 K644 A708 S709 V711	L637-L693 HydrophobicContact CB-CD1 4.26Å; L637-L693 HydrophobicContact CB-CD2 4.41Å; I638-L693 HydrophobicContact CB-CD1 4.41Å; I638-L693 HydrophobicContact CG1-CD1 3.78Å; F641-L693 HydrophobicContact CB-CD1 3.96Å; F641-L693 HydrophobicContact CB-CD2 3.95Å; F641-L693 HydrophobicContact CB-CG 4.07Å; K644-L693 WeakPolarHBondContact O-CA 3.41Å; L693-A708 CarbonylContact O-C 3.55Å; L693-A708 VanDerWaalsContact O-CA 3.3Å; L693-A708 WeakPolarHBondContact O-CA 3.2Å; L693-S709 PolarHBondContact N-O 3.03Å; L693-S709 PolarHBondContact O-N 3.28Å; L693-V711 HydrophobicContact CB-CG1 3.58Å; L693-V711 HydrophobicContact CB-CG2 4.26Å; L693-V711 HydrophobicContact CD1-CG1 4.3Å
694	Y	96.3	Very high	84.8	Confident	13 Å²	13	53.9 Å²	53.9	5%	0.051	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.6	-178.7	65.1	-90.7	0	0	0	111.8	K644 A646 L657 F697 I705 I707	K644-Y694 HydrophobicContact CB-CD1 4.29Å; K644-Y694 HydrophobicContact CB-CD2 4.08Å; K644-Y694 HydrophobicContact CB-CE1 3.98Å; K644-Y694 HydrophobicContact CB-CE2 3.74Å; K644-Y694 HydrophobicContact CB-CG 4.33Å; K644-Y694 VanDerWaalsContact CB-O 3.23Å; K644-Y694 WeakPolarHBondContact CB-O 3.22Å; K644-Y694 HydrophobicContact CD-CD2 4.3Å; K644-Y694 HydrophobicContact CD-CE2 3.96Å; K644-Y694 WeakPolarHBondContact CD-O 3.44Å; K644-Y694 HydrophobicContact CG-CE2 3.97Å; K644-Y694 VanDerWaalsContact O-CD1 3.23Å; K644-Y694 WeakPolarHBondContact O-CD1 3.49Å; K644-Y694 WeakPolarHBondContact O-CE1 3.18Å; K644-Y694 PolarHBondContact O-N 3.42Å; A646-Y694 HydrophobicContact CB-CD1 4.18Å; A646-Y694 HydrophobicContact CB-CE1 4.18Å; L657-Y694 HydrophobicContact CD2-CE1 4.29Å; L657-Y694 VanDerWaalsContact CD2-OH 3.32Å; L657-Y694 WeakPolarHBondContact CD2-OH 3.5Å; L657-Y694 HydrophobicContact CG-CE1 3.97Å; Y694-F697 HydrophobicContact CD2-CB 4.06Å; Y694-F697 HydrophobicContact CE2-CB 3.52Å; Y694-I705 HydrophobicContact CD1-CG2 3.97Å; Y694-I705 HydrophobicContact CD2-CB 4.35Å; Y694-I705 HydrophobicContact CD2-CG2 3.94Å; Y694-I705 HydrophobicContact CE1-CG2 4.34Å; Y694-I705 HydrophobicContact CE2-CG2 4.33Å; Y694-I705 HydrophobicContact CG-CB 4Å; Y694-I705 HydrophobicContact CG-CG2 3.77Å; Y694-I707 WeakPolarHBondContact CA-O 3.4Å
695	H	94.9	Very high	87.1	Confident	26 Å²	26	49 Å²	49	12%	0.12	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-47.4	177	-167.5	67.4	0	0	0	112	L537 F641 K644 R706 I707	L537-H695 HydrophobicContact CD2-CB 4.42Å; F641-H695 AromaticContact CE1-CE1 3.66Å; F641-H695 AromaticContact CE1-ND1 3.38Å; F641-H695 WeakPolarHBondContact CE1-ND1 3.44Å; F641-H695 AromaticContact CZ-CE1 3.52Å; F641-H695 AromaticContact CZ-ND1 3.42Å; F641-H695 WeakPolarHBondContact CZ-ND1 3.49Å; K644-H695 WeakPolarHBondContact CD-O 3.4Å; K644-H695 PolarHBondContact NZ-O 3.38Å; H695-R706 PolarHBondContact N-O 3.15Å; H695-I707 HydrophobicContact CB-CB 3.86Å; H695-I707 HydrophobicContact CB-CG2 4.31Å; H695-I707 PolarHBondContact N-O 3.29Å
696	E	91.9	Very high	89.1	Confident	86 Å²	86	51.1 Å²	51.1	40%	0.402	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.3	-174.5	-50.3	180	158.5	0	0	112.3	I705 R706	E696-I705 WeakPolarHBondContact O-CA 3.36Å; E696-R706 HydrophobicContact CB-CB 4.18Å; E696-R706 PolarHBondContact N-O 3.45Å; E696-R706 PolarHBondContact O-N 3.3Å; E696-R706 WeakPolarHBondContact OE2-CD 3.46Å
697	F	92.9	Very high	90.9	Very high	16 Å²	16	48 Å²	48	7%	0.07	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	129.4	166.1	174.1	-112.2	0	0	0	108.4	A396 L657 H662 A664 Y694 V699 N703 I705	A396-F697 HydrophobicContact CB-CD1 3.74Å; A396-F697 HydrophobicContact CB-CE1 4.1Å; L657-F697 HydrophobicContact CD2-CB 4.34Å; L657-F697 HydrophobicContact CD2-CD1 3.53Å; L657-F697 HydrophobicContact CD2-CD2 4.03Å; L657-F697 HydrophobicContact CD2-CE1 3.73Å; L657-F697 HydrophobicContact CD2-CE2 4.21Å; L657-F697 HydrophobicContact CD2-CG 3.69Å; L657-F697 HydrophobicContact CD2-CZ 4.07Å; H662-F697 HydrophobicContact CB-CE1 4.36Å; H662-F697 HydrophobicContact CB-CZ 4.16Å; A664-F697 HydrophobicContact CB-CD2 4.18Å; A664-F697 HydrophobicContact CB-CE2 3.78Å; Y694-F697 HydrophobicContact CD2-CB 4.06Å; Y694-F697 HydrophobicContact CE2-CB 3.52Å; F697-V699 HydrophobicContact CE1-CG2 3.66Å; F697-V699 HydrophobicContact CZ-CG2 3.85Å; F697-N703 HydrophobicContact CE2-CB 4.21Å; F697-I705 HydrophobicContact CB-CG2 4.28Å; F697-I705 HydrophobicContact CD2-CG2 3.99Å; F697-I705 HydrophobicContact CG-CG2 4.47Å
698	T	90.5	Very high	92.1	Very high	37 Å²	37	43.5 Å²	43.5	23%	0.227	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.4	173.3	-62.8	0	0	0	0	108.4	N397 Q399 S700	N397-T698 HydrophobicContact CB-CG2 4.21Å; N397-T698 CarbonylContact O-C 3.57Å; N397-T698 VanDerWaalsContact O-CA 3.31Å; N397-T698 WeakPolarHBondContact O-CA 3.2Å; Q399-T698 HydrophobicContact CB-CG2 4.37Å; Q399-T698 HydrophobicContact CG-CG2 3.74Å; T698-S700 PolarHBondContact O-N 2.97Å
699	V	91.1	Very high	92.7	Very high	35 Å²	35	42.1 Å²	42.1	21%	0.212	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	117.7	174.5	-177.6	0	0	0	0	108.1	I394 N397 S398 Q399 F697	I394-V699 HydrophobicContact CD1-CG2 3.76Å; N397-V699 PolarHBondContact O-N 3.33Å; S398-V699 WeakPolarHBondContact CA-O 3.43Å; Q399-V699 PolarHBondContact N-O 2.92Å; F697-V699 HydrophobicContact CE1-CG2 3.66Å; F697-V699 HydrophobicContact CZ-CG2 3.85Å
700	S	88.4	Confident	92.9	Very high	39 Å²	39	44.1 Å²	44.1	27%	0.273	21%	0.212	S	C	.	.	S	Bend	trans	-146.4	-168.7	-176.7	82	0	0	0	0	110.5	T698 D702 N703	T698-S700 PolarHBondContact O-N 2.97Å; S700-D702 PolarHBondContact O-N 3.36Å; S700-D702 PolarHBondContact OG-N 2.95Å; S700-D702 VanDerWaalsContact OG-N 3.16Å; S700-D702 PolarHBondContact OG-O 2.96Å; S700-N703 PolarHBondContact N-OD1 3.4Å; S700-N703 PolarHBondContact O-OD1 3.47Å
701	R	81.8	Confident	93	Very high	250 Å²	250	41.4 Å²	41.4	94%	0.943	19%	0.193	S	C	*	.	S	Bend	trans	-65.7	-29.1	173	-67.9	-176.2	-178.9	175.5	3.5	112.3
702	D	86.1	Confident	92.9	Very high	89 Å²	89	45.1 Å²	45.1	48%	0.476	21%	0.21	S	C	.	.	S	Bend	trans	-123.7	93.2	176.2	-172.8	15.8	0	0	0	108.8	S700 C704	S700-D702 PolarHBondContact O-N 3.36Å; S700-D702 PolarHBondContact OG-N 2.95Å; S700-D702 VanDerWaalsContact OG-N 3.16Å; S700-D702 PolarHBondContact OG-O 2.96Å; D702-C704 PolarHBondContact O-N 2.94Å
703	N	90.3	Very high	92.7	Very high	45 Å²	45	45.8 Å²	45.8	24%	0.241	22%	0.215	C	C	.	.			trans	-68.4	100	-179	-72.9	-21.8	0	0	0	109.3	A664 H665 F697 S700	A664-N703 VanDerWaalsContact CA-O 3.29Å; A664-N703 WeakPolarHBondContact CA-O 3.44Å; A664-N703 HydrophobicContact CB-CB 4.3Å; A664-N703 WeakPolarHBondContact CB-O 3.44Å; H665-N703 PolarHBondContact N-O 3.23Å; F697-N703 HydrophobicContact CE2-CB 4.21Å; S700-N703 PolarHBondContact N-OD1 3.4Å; S700-N703 PolarHBondContact O-OD1 3.47Å
704	C	92.2	Very high	92.4	Very high	16 Å²	16	50 Å²	50	11%	0.108	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.1	176.2	58.4	0	0	0	0	111.3	H665 H667 D702	H665-C704 CarbonylContact O-C 3.54Å; H665-C704 WeakPolarHBondContact O-CA 3.45Å; H667-C704 HydrophobicContact CB-CB 4.46Å; D702-C704 PolarHBondContact O-N 2.94Å
705	I	94.6	Very high	92.3	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.3	163.8	51.9	169.6	0	0	0	108.6	A646 Y655 L657 A664 H665 L666 H667 V692 Y694 E696 F697 A708	A646-I705 HydrophobicContact CB-CD1 4.41Å; Y655-I705 HydrophobicContact CG-CD1 4.35Å; L657-I705 HydrophobicContact CD1-CG2 4.26Å; A664-I705 HydrophobicContact CB-CG2 4.01Å; H665-I705 WeakPolarHBondContact O-CG1 3.35Å; H665-I705 PolarHBondContact O-N 2.96Å; L666-I705 HydrophobicContact CD2-CD1 3.78Å; L666-I705 HydrophobicContact CD2-CG1 4.05Å; H667-I705 WeakPolarHBondContact CB-O 3.3Å; H667-I705 PolarHBondContact N-O 3.19Å; V692-I705 HydrophobicContact CG2-CD1 3.61Å; Y694-I705 HydrophobicContact CD1-CG2 3.97Å; Y694-I705 HydrophobicContact CD2-CB 4.35Å; Y694-I705 HydrophobicContact CD2-CG2 3.94Å; Y694-I705 HydrophobicContact CE1-CG2 4.34Å; Y694-I705 HydrophobicContact CE2-CG2 4.33Å; Y694-I705 HydrophobicContact CG-CB 4Å; Y694-I705 HydrophobicContact CG-CG2 3.77Å; E696-I705 WeakPolarHBondContact O-CA 3.36Å; F697-I705 HydrophobicContact CB-CG2 4.28Å; F697-I705 HydrophobicContact CD2-CG2 3.99Å; F697-I705 HydrophobicContact CG-CG2 4.47Å; I705-A708 HydrophobicContact CD1-CB 4.49Å
706	R	94	Very high	92.2	Very high	114 Å²	114	48.8 Å²	48.8	43%	0.43	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.1	179.5	-57.1	178.3	168.6	-155.5	-6	110.5	H667 H695 E696	H667-R706 HydrophobicContact CB-CG 4Å; H667-R706 PolarHBondContact CD2-NE 3.48Å; H667-R706 PolarHBondContact NE2-NH2 2.76Å; H695-R706 PolarHBondContact N-O 3.15Å; E696-R706 HydrophobicContact CB-CB 4.18Å; E696-R706 PolarHBondContact N-O 3.45Å; E696-R706 PolarHBondContact O-N 3.3Å; E696-R706 WeakPolarHBondContact OE2-CD 3.46Å
707	I	95.9	Very high	92.2	Very high	33 Å²	33	45.4 Å²	45.4	17%	0.169	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.3	78.8	-173	-45.6	-59.4	0	0	0	110.4	L537 D567 H568 L571 Y694 H695	L537-I707 HydrophobicContact CD2-CG1 4.21Å; L537-I707 HydrophobicContact CD2-CG2 4.14Å; D567-I707 HydrophobicContact CB-CB 4.26Å; D567-I707 HydrophobicContact CB-CD1 4.33Å; D567-I707 HydrophobicContact CB-CG2 3.79Å; H568-I707 PolarHBondContact CE1-O 2.99Å; L571-I707 HydrophobicContact CD1-CG2 4.27Å; Y694-I707 WeakPolarHBondContact CA-O 3.4Å; H695-I707 HydrophobicContact CB-CB 3.86Å; H695-I707 HydrophobicContact CB-CG2 4.31Å; H695-I707 PolarHBondContact N-O 3.29Å
708	A	96.6	Very high	92.1	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.1	-177.8	0	0	0	0	0	111.6	G566 D567 L666 Y672 V692 L693 I705	G566-A708 WeakPolarHBondContact CA-O 3.41Å; D567-A708 PolarHBondContact N-O 2.97Å; D567-A708 PolarHBondContact OD2-N 3.26Å; L666-A708 HydrophobicContact CD2-CB 3.55Å; Y672-A708 WeakPolarHBondContact CE2-O 3.43Å; V692-A708 HydrophobicContact CB-CB 4.36Å; L693-A708 CarbonylContact O-C 3.55Å; L693-A708 VanDerWaalsContact O-CA 3.3Å; L693-A708 WeakPolarHBondContact O-CA 3.2Å; I705-A708 HydrophobicContact CD1-CB 4.49Å
709	S	96.4	Very high	92.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.6	172.7	-75.1	0	0	0	0	111.5	H568 V692 L693 V711	H568-S709 PolarHBondContact N-OG 3.33Å; H568-S709 WeakPolarHBondContact ND1-CB 3.42Å; H568-S709 PolarHBondContact ND1-OG 2.86Å; V692-S709 CarbonylContact C-O 3.56Å; V692-S709 WeakPolarHBondContact CA-O 3.41Å; L693-S709 PolarHBondContact N-O 3.03Å; L693-S709 PolarHBondContact O-N 3.28Å; S709-V711 PolarHBondContact O-N 2.84Å
710	E	95.1	Very high	92.1	Very high	54 Å²	54	50.5 Å²	50.5	25%	0.252	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	131.6	179.1	178.1	175.2	-169.5	0	0	110.2	E565 K634 Y672 P689 H712	E565-E710 PolarHBondContact O-N 2.96Å; K634-E710 VanDerWaalsContact CD-O 3.29Å; K634-E710 WeakPolarHBondContact CD-O 3.24Å; K634-E710 WeakPolarHBondContact CE-O 3.41Å; K634-E710 PolarHBondContact NZ-O 3.03Å; Y672-E710 WeakPolarHBondContact OH-CB 3.15Å; Y672-E710 PolarHBondContact OH-N 3.08Å; P689-E710 HydrophobicContact CB-CB 3.82Å; P689-E710 HydrophobicContact CB-CG 3.63Å; P689-E710 HydrophobicContact CG-CB 3.93Å; P689-E710 HydrophobicContact CG-CG 4.32Å; E710-H712 IonicContact OE1-CE1 3.6Å; E710-H712 PolarHBondContact OE1-CE1 3.3Å
711	V	94.9	Very high	92.1	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.024	24%	0.237	C	C	.	.			trans	-127.1	144	171.8	-66.9	0	0	0	0	110	I638 V645 W691 L693 S709 M715 L716	I638-V711 HydrophobicContact CD1-CB 4.28Å; I638-V711 HydrophobicContact CD1-CG1 3.98Å; I638-V711 HydrophobicContact CG1-CG1 4.06Å; V645-V711 HydrophobicContact CG1-CG2 4.43Å; W691-V711 HydrophobicContact CB-CG2 4.28Å; W691-V711 WeakPolarHBondContact CB-O 3.39Å; W691-V711 PolarHBondContact O-N 3.5Å; W691-V711 VanDerWaalsContact O-N 3.1Å; L693-V711 HydrophobicContact CB-CG1 3.58Å; L693-V711 HydrophobicContact CB-CG2 4.26Å; L693-V711 HydrophobicContact CD1-CG1 4.3Å; S709-V711 PolarHBondContact O-N 2.84Å; V711-M715 HydrophobicContact CB-CE 4.42Å; V711-L716 HydrophobicContact CG2-CD2 4.5Å
712	H	92.6	Very high	92.3	Very high	87 Å²	87	47 Å²	47	40%	0.403	23%	0.231	S	C	.	.			trans	-89.9	135.7	174.6	-61.2	-51.3	0	0	0	110	E710 Q714 M715	E710-H712 IonicContact OE1-CE1 3.6Å; E710-H712 PolarHBondContact OE1-CE1 3.3Å; H712-Q714 PolarHBondContact O-N 3.26Å; H712-M715 HydrophobicContact CB-CE 3.89Å; H712-M715 HydrophobicContact CB-CG 4.45Å; H712-M715 WeakPolarHBondContact O-CB 3.31Å; H712-M715 PolarHBondContact O-N 2.78Å
713	P	92.6	Very high	92.4	Very high	15 Å²	15	43.2 Å²	43.2	10%	0.097	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-26.6	-175.8	25.1	-34.4	0	0	0	112.8	W691 M715 L716 V717 L737 L740	W691-P713 HydrophobicContact CD2-CB 4.18Å; W691-P713 HydrophobicContact CE3-CB 4.37Å; W691-P713 HydrophobicContact CZ2-CB 4.48Å; P713-M715 VanDerWaalsContact C-N 3.3Å; P713-M715 PolarHBondContact O-N 3.12Å; P713-L716 WeakPolarHBondContact O-CB 3.48Å; P713-L716 PolarHBondContact O-N 3.38Å; P713-V717 PolarHBondContact O-N 3.46Å; P713-L737 HydrophobicContact CB-CD2 3.7Å; P713-L737 WeakPolarHBondContact O-CD2 3.2Å; P713-L740 HydrophobicContact CB-CD1 3.63Å; P713-L740 HydrophobicContact CG-CD1 3.68Å
714	Q	92.4	Very high	92.4	Very high	89 Å²	89	41.1 Å²	41.1	42%	0.416	20%	0.199	S	C	.	.	H	α-helix	trans	-58.7	-42	173	-65.7	82.1	4.2	0	0	111.9	H712 L716 V717 E718 L740	H712-Q714 PolarHBondContact O-N 3.26Å; Q714-L716 VanDerWaalsContact C-N 3.26Å; Q714-L716 PolarHBondContact O-N 3.09Å; Q714-V717 PolarHBondContact O-N 2.88Å; Q714-E718 WeakPolarHBondContact O-CG 3.31Å; Q714-E718 PolarHBondContact O-N 2.87Å; Q714-L740 HydrophobicContact CG-CD2 4.45Å
715	M	93.1	Very high	92.1	Very high	14 Å²	14	41.7 Å²	41.7	7%	0.069	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-34.1	179.3	-63	-169.9	-72.9	0	0	111.8	T631 K634 R635 I638 V711 H712 P713 E718 L719	T631-M715 HydrophobicContact CG2-SD 4.37Å; K634-M715 HydrophobicContact CB-CE 4.28Å; K634-M715 HydrophobicContact CD-CE 4.23Å; R635-M715 HydrophobicContact CG-SD 4.48Å; I638-M715 HydrophobicContact CD1-CB 3.75Å; I638-M715 HydrophobicContact CD1-CE 4.12Å; I638-M715 HydrophobicContact CD1-SD 4.34Å; V711-M715 HydrophobicContact CB-CE 4.42Å; H712-M715 HydrophobicContact CB-CE 3.89Å; H712-M715 HydrophobicContact CB-CG 4.45Å; H712-M715 WeakPolarHBondContact O-CB 3.31Å; H712-M715 PolarHBondContact O-N 2.78Å; P713-M715 VanDerWaalsContact C-N 3.3Å; P713-M715 PolarHBondContact O-N 3.12Å; M715-E718 PolarHBondContact O-N 3.44Å; M715-L719 HydrophobicContact CB-CD1 4.33Å; M715-L719 VanDerWaalsContact O-CB 3.25Å; M715-L719 WeakPolarHBondContact O-CB 3.41Å; M715-L719 VanDerWaalsContact O-CG 3.23Å; M715-L719 WeakPolarHBondContact O-CG 3.5Å; M715-L719 PolarHBondContact O-N 3.11Å
716	L	92.9	Very high	91.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-43.2	177.9	-58.3	178.9	0	0	0	111.3	I638 V645 W691 V711 P713 Q714 E718 A720 F724 L737	I638-L716 HydrophobicContact CD1-CD2 4.14Å; I638-L716 HydrophobicContact CG1-CD2 4.13Å; I638-L716 HydrophobicContact CG2-CD2 3.98Å; V645-L716 HydrophobicContact CG1-CD1 3.84Å; V645-L716 HydrophobicContact CG2-CD1 4.44Å; V645-L716 HydrophobicContact CG2-CD2 3.99Å; W691-L716 HydrophobicContact CE3-CD1 3.83Å; W691-L716 HydrophobicContact CZ3-CD1 3.95Å; V711-L716 HydrophobicContact CG2-CD2 4.5Å; P713-L716 WeakPolarHBondContact O-CB 3.48Å; P713-L716 PolarHBondContact O-N 3.38Å; Q714-L716 VanDerWaalsContact C-N 3.26Å; Q714-L716 PolarHBondContact O-N 3.09Å; L716-E718 VanDerWaalsContact C-N 3.35Å; L716-A720 PolarHBondContact O-N 2.94Å; L716-A720 VanDerWaalsContact O-N 3.09Å; L716-F724 HydrophobicContact CB-CD2 3.97Å; L716-F724 HydrophobicContact CB-CE2 3.64Å; L716-F724 HydrophobicContact CB-CZ 4.03Å; L716-F724 HydrophobicContact CD1-CZ 4.25Å; L716-F724 HydrophobicContact CD2-CE2 4.09Å; L716-F724 HydrophobicContact CD2-CZ 4.03Å; L716-F724 HydrophobicContact CG-CE2 4.33Å; L716-F724 HydrophobicContact CG-CZ 4.33Å; L716-F724 VanDerWaalsContact O-CD2 3.26Å; L716-F724 WeakPolarHBondContact O-CD2 3.48Å; L716-L737 HydrophobicContact CB-CD2 4.28Å; L716-L737 HydrophobicContact CD1-CD2 4.38Å
717	V	91.3	Very high	91.2	Very high	15 Å²	15	43 Å²	43	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-37.2	177.9	179.3	0	0	0	0	111.4	P713 Q714 P721 M725 L737 R741	P713-V717 PolarHBondContact O-N 3.46Å; Q714-V717 PolarHBondContact O-N 2.88Å; V717-P721 WeakPolarHBondContact O-CB 3.46Å; V717-M725 HydrophobicContact CG1-CE 4.44Å; V717-M725 HydrophobicContact CG2-CE 4.1Å; V717-L737 HydrophobicContact CG2-CB 4.06Å; V717-L737 HydrophobicContact CG2-CD2 3.72Å; V717-L737 HydrophobicContact CG2-CG 4.49Å; V717-R741 HydrophobicContact CG1-CB 3.64Å; V717-R741 HydrophobicContact CG1-CG 3.79Å
718	E	90.3	Very high	90.8	Very high	132 Å²	132	41.6 Å²	41.6	62%	0.617	22%	0.22	S	C	*	.	H	α-helix	trans	-73.2	-44	179.9	-72.6	170.8	-170.6	0	0	112.6	Q714 M715 L716	Q714-E718 WeakPolarHBondContact O-CG 3.31Å; Q714-E718 PolarHBondContact O-N 2.87Å; M715-E718 PolarHBondContact O-N 3.44Å; L716-E718 VanDerWaalsContact C-N 3.35Å
719	L	90.7	Very high	90.4	Very high	51 Å²	51	43.5 Å²	43.5	27%	0.267	23%	0.233	S	C	.	.	H	α-helix	trans	-89.8	-31.4	-169.5	-63.5	173.5	0	0	0	114	Y524 R635 I638 M715 P721	Y524-L719 VanDerWaalsContact OH-CD2 3.28Å; Y524-L719 WeakPolarHBondContact OH-CD2 3.49Å; R635-L719 HydrophobicContact CB-CD1 3.99Å; R635-L719 HydrophobicContact CG-CD1 4.06Å; I638-L719 HydrophobicContact CB-CD1 3.88Å; I638-L719 HydrophobicContact CD1-CD1 4.09Å; I638-L719 HydrophobicContact CG2-CB 3.97Å; I638-L719 HydrophobicContact CG2-CD1 3.76Å; M715-L719 HydrophobicContact CB-CD1 4.33Å; M715-L719 VanDerWaalsContact O-CB 3.25Å; M715-L719 WeakPolarHBondContact O-CB 3.41Å; M715-L719 VanDerWaalsContact O-CG 3.23Å; M715-L719 WeakPolarHBondContact O-CG 3.5Å; M715-L719 PolarHBondContact O-N 3.11Å; L719-P721 VanDerWaalsContact C-CD 3.44Å
720	A	91	Very high	89.8	Confident	12 Å²	12	46.8 Å²	46.8	10%	0.099	26%	0.26	C	S	.	.			trans	-133.5	53.6	179.9	0	0	0	0	0	112.7	F642 L716 Q722 Y723 F724	F642-A720 HydrophobicContact CB-CB 4Å; F642-A720 HydrophobicContact CD1-CB 4.33Å; F642-A720 HydrophobicContact CD2-CB 3.94Å; F642-A720 HydrophobicContact CE2-CB 4.46Å; F642-A720 HydrophobicContact CG-CB 3.84Å; L716-A720 PolarHBondContact O-N 2.94Å; L716-A720 VanDerWaalsContact O-N 3.09Å; A720-Q722 VanDerWaalsContact C-N 3.28Å; A720-Q722 PolarHBondContact O-N 3.28Å; A720-Y723 PolarHBondContact O-N 2.95Å; A720-F724 HydrophobicContact CB-CD2 3.92Å; A720-F724 HydrophobicContact CB-CE2 3.86Å; A720-F724 VanDerWaalsContact O-CD2 3.26Å; A720-F724 WeakPolarHBondContact O-CD2 3.45Å; A720-F724 PolarHBondContact O-N 2.86Å
721	P	88.8	Confident	89.4	Confident	40 Å²	40	45 Å²	45	26%	0.26	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-34.9	-174.3	22.6	-32.6	0	0	0	113.1	V717 L719 Y723 M725	V717-P721 WeakPolarHBondContact O-CB 3.46Å; L719-P721 VanDerWaalsContact C-CD 3.44Å; P721-Y723 PolarHBondContact O-N 3.29Å; P721-M725 WeakPolarHBondContact O-CB 3.32Å; P721-M725 WeakPolarHBondContact O-CG 3.45Å; P721-M725 PolarHBondContact O-N 2.61Å; P721-M725 VanDerWaalsContact O-N 3.11Å
722	Q	86.5	Confident	89	Confident	175 Å²	175	49.8 Å²	49.8	82%	0.818	28%	0.279	S	S	*	.	H	α-helix	trans	-59.9	-49.5	-176.9	-64.1	-179.8	0.6	0	0	110.9	A720 G726	A720-Q722 VanDerWaalsContact C-N 3.28Å; A720-Q722 PolarHBondContact O-N 3.28Å; Q722-G726 PolarHBondContact O-N 3.24Å; Q722-G726 VanDerWaalsContact O-N 3.1Å
723	Y	89.3	Confident	88.6	Confident	9 Å²	9	45.7 Å²	45.7	4%	0.035	26%	0.26	C	S	.	.	I	π-helix	trans	-67.8	-53.8	179.4	176.2	-102.9	0	0	0	112.4	Y488 F642 L643 T659 A720 P721 M725 N727 L728	Y488-Y723 HydrophobicContact CD1-CD2 4.3Å; Y488-Y723 AromaticContact CE1-CD2 3.87Å; Y488-Y723 HydrophobicContact CE1-CD2 3.87Å; Y488-Y723 HydrophobicContact CE2-CD2 4.44Å; Y488-Y723 AromaticContact CZ-CD2 3.97Å; F642-Y723 AromaticContact CD2-CD1 3.83Å; F642-Y723 HydrophobicContact CD2-CD1 3.83Å; F642-Y723 HydrophobicContact CD2-CG 4.03Å; F642-Y723 HydrophobicContact CE2-CD1 4.12Å; F642-Y723 HydrophobicContact CE2-CD2 4.43Å; F642-Y723 AromaticContact CE2-CG 3.83Å; F642-Y723 HydrophobicContact CE2-CG 3.83Å; L643-Y723 HydrophobicContact CD2-CD1 3.96Å; L643-Y723 HydrophobicContact CD2-CD2 3.65Å; L643-Y723 HydrophobicContact CD2-CE1 3.64Å; L643-Y723 HydrophobicContact CD2-CE2 3.35Å; L643-Y723 HydrophobicContact CD2-CG 3.96Å; T659-Y723 WeakPolarHBondContact CB-OH 3.45Å; T659-Y723 WeakPolarHBondContact CG2-OH 3.23Å; T659-Y723 PolarHBondContact OG1-OH 3.45Å; A720-Y723 PolarHBondContact O-N 2.95Å; P721-Y723 PolarHBondContact O-N 3.29Å; Y723-M725 PolarHBondContact O-N 3.03Å; Y723-N727 HydrophobicContact CD2-CB 3.95Å; Y723-N727 HydrophobicContact CE2-CB 4.18Å; Y723-N727 PolarHBondContact O-N 3.05Å; Y723-L728 HydrophobicContact CE1-CD1 3.93Å; Y723-L728 PolarHBondContact O-N 2.94Å
724	F	89	Confident	88.4	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	26%	0.262	C	S	.	.	I	π-helix	trans	-66.9	-25.1	-172.5	-72.7	-64.9	0	0	0	113.8	F642 V645 L658 L716 A720 L728 L737	F642-F724 HydrophobicContact CB-CE2 3.97Å; F642-F724 HydrophobicContact CB-CZ 4.12Å; F642-F724 VanDerWaalsContact O-CZ 3.29Å; F642-F724 WeakPolarHBondContact O-CZ 3.38Å; V645-F724 HydrophobicContact CG2-CZ 4.38Å; L658-F724 HydrophobicContact CD1-CE1 4.36Å; L716-F724 HydrophobicContact CB-CD2 3.97Å; L716-F724 HydrophobicContact CB-CE2 3.64Å; L716-F724 HydrophobicContact CB-CZ 4.03Å; L716-F724 HydrophobicContact CD1-CZ 4.25Å; L716-F724 HydrophobicContact CD2-CE2 4.09Å; L716-F724 HydrophobicContact CD2-CZ 4.03Å; L716-F724 HydrophobicContact CG-CE2 4.33Å; L716-F724 HydrophobicContact CG-CZ 4.33Å; L716-F724 VanDerWaalsContact O-CD2 3.26Å; L716-F724 WeakPolarHBondContact O-CD2 3.48Å; A720-F724 HydrophobicContact CB-CD2 3.92Å; A720-F724 HydrophobicContact CB-CE2 3.86Å; A720-F724 VanDerWaalsContact O-CD2 3.26Å; A720-F724 WeakPolarHBondContact O-CD2 3.45Å; A720-F724 PolarHBondContact O-N 2.86Å; F724-L728 HydrophobicContact CD1-CD1 4.46Å; F724-L728 HydrophobicContact CD1-CD2 4.1Å; F724-L737 HydrophobicContact CB-CD1 4.37Å; F724-L737 HydrophobicContact CD1-CD1 3.82Å; F724-L737 HydrophobicContact CE1-CD1 4.45Å; F724-L737 HydrophobicContact CG-CD1 4.27Å
725	M	85.8	Confident	88.3	Confident	29 Å²	29	47.9 Å²	47.9	14%	0.143	27%	0.269	C	S	.	.	I	π-helix	trans	-96.4	-40.2	-175.8	-57.1	-74.5	119.7	0	0	111.9	V717 P721 Y723 L737 M738 R741	V717-M725 HydrophobicContact CG1-CE 4.44Å; V717-M725 HydrophobicContact CG2-CE 4.1Å; P721-M725 WeakPolarHBondContact O-CB 3.32Å; P721-M725 WeakPolarHBondContact O-CG 3.45Å; P721-M725 PolarHBondContact O-N 2.61Å; P721-M725 VanDerWaalsContact O-N 3.11Å; Y723-M725 PolarHBondContact O-N 3.03Å; M725-L737 HydrophobicContact CE-CB 3.83Å; M725-M738 HydrophobicContact SD-CG 4.27Å; M725-R741 HydrophobicContact SD-CB 4.22Å; M725-R741 WeakPolarHBondContact SD-CD 3.05Å; M725-R741 HydrophobicContact SD-CG 4.45Å
726	G	83.8	Confident	88.2	Confident	49 Å²	49	50.2 Å²	50.2	51%	0.505	28%	0.281	S	S	.	.	I	π-helix	trans	-84.4	-61.4	178.3	0	0	0	0	0	112.3	Q722 K734	Q722-G726 PolarHBondContact O-N 3.24Å; Q722-G726 VanDerWaalsContact O-N 3.1Å; G726-K734 PolarHBondContact O-NZ 3.43Å
727	N	86.7	Confident	88.1	Confident	94 Å²	94	50.2 Å²	50.2	50%	0.503	28%	0.281	S	S	.	.	I	π-helix	trans	-99.9	-18.6	-156	-61.9	0.5	0	0	0	113.6	Y488 Y723	Y488-N727 WeakPolarHBondContact CE1-ND2 3.36Å; Y488-N727 PolarHBondContact OH-ND2 2.8Å; Y723-N727 HydrophobicContact CD2-CB 3.95Å; Y723-N727 HydrophobicContact CE2-CB 4.18Å; Y723-N727 PolarHBondContact O-N 3.05Å
728	L	88.2	Confident	87.9	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	29%	0.293	C	S	.	.	S	Bend	trans	-59.9	134.1	177.6	-172.3	72.3	0	0	0	111.2	L658 Y723 F724 K734 L737	L658-L728 HydrophobicContact CB-CD1 3.8Å; Y723-L728 HydrophobicContact CE1-CD1 3.93Å; Y723-L728 PolarHBondContact O-N 2.94Å; F724-L728 HydrophobicContact CD1-CD1 4.46Å; F724-L728 HydrophobicContact CD1-CD2 4.1Å; L728-K734 HydrophobicContact CB-CD 4.34Å; L728-K734 HydrophobicContact CD2-CB 3.77Å; L728-K734 HydrophobicContact CD2-CG 4.02Å; L728-K734 HydrophobicContact CG-CB 4.5Å; L728-K734 VanDerWaalsContact O-CD 3.24Å; L728-K734 WeakPolarHBondContact O-CD 3.25Å; L728-K734 WeakPolarHBondContact O-CE 3.46Å; L728-K734 PolarHBondContact O-NZ 3.14Å; L728-L737 HydrophobicContact CD2-CD1 4.13Å
729	P	86.2	Confident	87.9	Confident	41 Å²	41	52.4 Å²	52.4	27%	0.266	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-61.8	147.7	175.1	-23.9	34.6	0	0	0	113.1	T659 S731	T659-P729 WeakPolarHBondContact O-CG 3.38Å; P729-S731 PolarHBondContact O-N 3.46Å; P729-S731 PolarHBondContact O-OG 2.89Å
730	A	85.6	Confident	87.9	Confident	69 Å²	69	51.6 Å²	51.6	57%	0.57	29%	0.287	S	S	*	.	S	Bend	trans	-56.7	129.3	178	0	0	0	0	0	111.8	R661	R661-A730 PolarHBondContact NE-O 3.13Å; R661-A730 PolarHBondContact NH2-O 3.42Å
731	S	86.8	Confident	87.7	Confident	18 Å²	18	56.8 Å²	56.8	13%	0.126	30%	0.304	C	S	.	.	S	Bend	trans	-168.9	162.9	-178.8	54.7	0	0	0	0	109	P729 G733 K734 E735	P729-S731 PolarHBondContact O-N 3.46Å; P729-S731 PolarHBondContact O-OG 2.89Å; S731-G733 PolarHBondContact O-N 3.17Å; S731-K734 WeakPolarHBondContact O-CA 3.44Å; S731-K734 WeakPolarHBondContact O-CB 3.42Å; S731-K734 PolarHBondContact O-N 3.42Å; S731-K734 PolarHBondContact OG-N 3.47Å; S731-E735 PolarHBondContact O-N 3.33Å
732	D	84.7	Confident	87.6	Confident	104 Å²	104	61.7 Å²	61.7	56%	0.556	32%	0.323	S	S	*	.	H	α-helix	trans	-54	-36.7	172.9	-56	-2.2	0	0	0	111.2	E735 L736	D732-E735 PolarHBondContact O-N 2.89Å; D732-L736 PolarHBondContact O-N 3.26Å
733	G	85.8	Confident	87.4	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-42.1	173.3	0	0	0	0	0	113	S731 L737	S731-G733 PolarHBondContact O-N 3.17Å; G733-L737 VanDerWaalsContact O-CG 3.25Å; G733-L737 WeakPolarHBondContact O-CG 3.27Å; G733-L737 PolarHBondContact O-N 3.24Å; G733-L737 VanDerWaalsContact O-N 3.11Å
734	K	88.5	Confident	86.7	Confident	29 Å²	29	61.1 Å²	61.1	13%	0.126	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-43	175.5	-170.6	179.4	-162.8	-178	0	111.5	G726 L728 S731 L737 M738	G726-K734 PolarHBondContact O-NZ 3.43Å; L728-K734 HydrophobicContact CB-CD 4.34Å; L728-K734 HydrophobicContact CD2-CB 3.77Å; L728-K734 HydrophobicContact CD2-CG 4.02Å; L728-K734 HydrophobicContact CG-CB 4.5Å; L728-K734 VanDerWaalsContact O-CD 3.24Å; L728-K734 WeakPolarHBondContact O-CD 3.25Å; L728-K734 WeakPolarHBondContact O-CE 3.46Å; L728-K734 PolarHBondContact O-NZ 3.14Å; S731-K734 WeakPolarHBondContact O-CA 3.44Å; S731-K734 WeakPolarHBondContact O-CB 3.42Å; S731-K734 PolarHBondContact O-N 3.42Å; S731-K734 PolarHBondContact OG-N 3.47Å; K734-L737 PolarHBondContact O-N 2.63Å; K734-M738 HydrophobicContact CD-CE 3.91Å; K734-M738 HydrophobicContact CG-CE 4.01Å; K734-M738 WeakPolarHBondContact O-CG 3.27Å; K734-M738 PolarHBondContact O-N 3.24Å
735	E	89.8	Confident	85.6	Confident	121 Å²	121	63.8 Å²	63.8	57%	0.565	37%	0.367	S	S	*	.	H	α-helix	trans	-60.3	-46.4	178.7	-69.2	-179.9	-175.2	0	0	110.9	S731 D732 L737 M738 E739	S731-E735 PolarHBondContact O-N 3.33Å; D732-E735 PolarHBondContact O-N 2.89Å; E735-L737 PolarHBondContact O-N 2.9Å; E735-M738 WeakPolarHBondContact O-CB 3.46Å; E735-M738 PolarHBondContact O-N 2.97Å; E735-M738 VanDerWaalsContact O-N 3.15Å; E735-E739 WeakPolarHBondContact O-CG 3.37Å; E735-E739 PolarHBondContact O-N 3.46Å
736	L	90	Very high	83.9	Confident	62 Å²	62	67.8 Å²	67.8	33%	0.325	40%	0.395	S	S	.	.	H	α-helix	trans	-57.9	-45.3	174.9	-171.4	76.1	0	0	0	112.3	W691 D732 M738 E739 L740	W691-L736 HydrophobicContact CZ2-CD2 3.54Å; D732-L736 PolarHBondContact O-N 3.26Å; L736-M738 VanDerWaalsContact C-N 3.32Å; L736-M738 PolarHBondContact O-N 3.43Å; L736-E739 PolarHBondContact O-N 2.94Å; L736-L740 HydrophobicContact CG-CD1 4.36Å; L736-L740 VanDerWaalsContact O-CG 3.32Å; L736-L740 WeakPolarHBondContact O-CG 3.1Å; L736-L740 PolarHBondContact O-N 3.03Å
737	L	90.7	Very high	82.2	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-63.9	-37.6	178.3	-68.3	169.7	0	0	0	111.8	W691 P713 L716 V717 F724 M725 L728 G733 K734 E735 R741	W691-L737 HydrophobicContact CH2-CD1 4.2Å; W691-L737 HydrophobicContact CH2-CD2 4.27Å; W691-L737 HydrophobicContact CH2-CG 4.04Å; W691-L737 HydrophobicContact CZ3-CD1 4.2Å; W691-L737 HydrophobicContact CZ3-CD2 4.26Å; W691-L737 HydrophobicContact CZ3-CG 4.34Å; P713-L737 HydrophobicContact CB-CD2 3.7Å; P713-L737 WeakPolarHBondContact O-CD2 3.2Å; L716-L737 HydrophobicContact CB-CD2 4.28Å; L716-L737 HydrophobicContact CD1-CD2 4.38Å; V717-L737 HydrophobicContact CG2-CB 4.06Å; V717-L737 HydrophobicContact CG2-CD2 3.72Å; V717-L737 HydrophobicContact CG2-CG 4.49Å; F724-L737 HydrophobicContact CB-CD1 4.37Å; F724-L737 HydrophobicContact CD1-CD1 3.82Å; F724-L737 HydrophobicContact CE1-CD1 4.45Å; F724-L737 HydrophobicContact CG-CD1 4.27Å; M725-L737 HydrophobicContact CE-CB 3.83Å; L728-L737 HydrophobicContact CD2-CD1 4.13Å; G733-L737 VanDerWaalsContact O-CG 3.25Å; G733-L737 WeakPolarHBondContact O-CG 3.27Å; G733-L737 PolarHBondContact O-N 3.24Å; G733-L737 VanDerWaalsContact O-N 3.11Å; K734-L737 PolarHBondContact O-N 2.63Å; E735-L737 PolarHBondContact O-N 2.9Å; L737-R741 PolarHBondContact O-N 3.31Å; L737-R741 VanDerWaalsContact O-N 3.1Å
738	M	88.8	Confident	80.1	Confident	71 Å²	71	71.8 Å²	71.8	35%	0.35	43%	0.426	S	S	.	.	H	α-helix	trans	-66.1	-43.2	175.5	-73.1	-164.3	-175.3	0	0	112.1	M725 K734 E735 L736 R741 Q742	M725-M738 HydrophobicContact SD-CG 4.27Å; K734-M738 HydrophobicContact CD-CE 3.91Å; K734-M738 HydrophobicContact CG-CE 4.01Å; K734-M738 WeakPolarHBondContact O-CG 3.27Å; K734-M738 PolarHBondContact O-N 3.24Å; E735-M738 WeakPolarHBondContact O-CB 3.46Å; E735-M738 PolarHBondContact O-N 2.97Å; E735-M738 VanDerWaalsContact O-N 3.15Å; L736-M738 VanDerWaalsContact C-N 3.32Å; L736-M738 PolarHBondContact O-N 3.43Å; M738-R741 PolarHBondContact O-N 3.5Å; M738-Q742 WeakPolarHBondContact O-CG 3.38Å; M738-Q742 PolarHBondContact O-N 3.38Å
739	E	90.6	Very high	77.9	Confident	123 Å²	123	75 Å²	75	58%	0.575	46%	0.46	S	S	*	.	H	α-helix	trans	-61.5	-44.3	176.1	-72.1	-179	176.2	0	0	111.5	E735 L736 R741 Q742 S743	E735-E739 WeakPolarHBondContact O-CG 3.37Å; E735-E739 PolarHBondContact O-N 3.46Å; L736-E739 PolarHBondContact O-N 2.94Å; E739-R741 VanDerWaalsContact C-N 3.32Å; E739-R741 PolarHBondContact O-N 2.95Å; E739-Q742 PolarHBondContact O-N 3.24Å; E739-S743 WeakPolarHBondContact O-CB 3.45Å; E739-S743 PolarHBondContact O-N 3.38Å; E739-S743 PolarHBondContact O-OG 3.09Å
740	L	90.1	Very high	75.5	Confident	33 Å²	33	82.2 Å²	82.2	17%	0.173	49%	0.49	C	S	.	.	H	α-helix	trans	-58.5	-43.9	176.3	-74.7	172.9	0	0	0	111.6	P713 Q714 L736 Q742 S743 A744	P713-L740 HydrophobicContact CB-CD1 3.63Å; P713-L740 HydrophobicContact CG-CD1 3.68Å; Q714-L740 HydrophobicContact CG-CD2 4.45Å; L736-L740 HydrophobicContact CG-CD1 4.36Å; L736-L740 VanDerWaalsContact O-CG 3.32Å; L736-L740 WeakPolarHBondContact O-CG 3.1Å; L736-L740 PolarHBondContact O-N 3.03Å; L740-Q742 PolarHBondContact O-N 3.4Å; L740-S743 WeakPolarHBondContact CA-OG 3.26Å; L740-S743 PolarHBondContact O-N 3.19Å; L740-S743 PolarHBondContact O-OG 3.16Å; L740-A744 WeakPolarHBondContact O-CB 3.47Å; L740-A744 PolarHBondContact O-N 3.26Å
741	R	87.3	Confident	73.1	Confident	121 Å²	121	83.5 Å²	83.5	46%	0.457	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-42.6	175.9	-168	174.4	-178	-172.8	4.9	112.4	V717 M725 L737 M738 E739 S743 A744 A745	V717-R741 HydrophobicContact CG1-CB 3.64Å; V717-R741 HydrophobicContact CG1-CG 3.79Å; M725-R741 HydrophobicContact SD-CB 4.22Å; M725-R741 WeakPolarHBondContact SD-CD 3.05Å; M725-R741 HydrophobicContact SD-CG 4.45Å; L737-R741 PolarHBondContact O-N 3.31Å; L737-R741 VanDerWaalsContact O-N 3.1Å; M738-R741 PolarHBondContact O-N 3.5Å; E739-R741 VanDerWaalsContact C-N 3.32Å; E739-R741 PolarHBondContact O-N 2.95Å; R741-S743 VanDerWaalsContact C-N 3.32Å; R741-A744 PolarHBondContact O-N 3.45Å; R741-A745 PolarHBondContact O-N 3.11Å; R741-A745 VanDerWaalsContact O-N 3.12Å
742	Q	85.5	Confident	70.6	Confident	144 Å²	144	90 Å²	90	67%	0.673	53%	0.534	S	S	*	.	H	α-helix	trans	-66	-37	178.5	-70.1	174.4	19.4	0	0	111.7	M738 E739 L740 A744	M738-Q742 WeakPolarHBondContact O-CG 3.38Å; M738-Q742 PolarHBondContact O-N 3.38Å; E739-Q742 PolarHBondContact O-N 3.24Å; L740-Q742 PolarHBondContact O-N 3.4Å; Q742-A744 VanDerWaalsContact C-N 3.34Å
743	S	82.6	Confident	68.3	Low	92 Å²	92	90.6 Å²	90.6	64%	0.643	55%	0.546	S	S	*	.	H	α-helix	trans	-71.6	-27.7	176.9	74.7	0	0	0	0	113.4	E739 L740 R741	E739-S743 WeakPolarHBondContact O-CB 3.45Å; E739-S743 PolarHBondContact O-N 3.38Å; E739-S743 PolarHBondContact O-OG 3.09Å; L740-S743 WeakPolarHBondContact CA-OG 3.26Å; L740-S743 PolarHBondContact O-N 3.19Å; L740-S743 PolarHBondContact O-OG 3.16Å; R741-S743 VanDerWaalsContact C-N 3.32Å
744	A	73.9	Confident	65.7	Low	80 Å²	80	93.6 Å²	93.6	66%	0.661	58%	0.577	S	S	*	*	H	α-helix	trans	-85.7	-16.5	178.3	0	0	0	0	0	113.4	L740 R741 Q742	L740-A744 WeakPolarHBondContact O-CB 3.47Å; L740-A744 PolarHBondContact O-N 3.26Å; R741-A744 PolarHBondContact O-N 3.45Å; Q742-A744 VanDerWaalsContact C-N 3.34Å
745	A	66.4	Low	62.9	Low	57 Å²	57	99.9 Å²	99.9	47%	0.471	61%	0.612	S	S	.	*	S	Bend	trans	-68.6	133.7	174.9	0	0	0	0	0	110.3	R741	R741-A745 PolarHBondContact O-N 3.11Å; R741-A745 VanDerWaalsContact O-N 3.12Å
746	P	51.1	Low	60.2	Low	113 Å²	113	104.5 Å²	104.5	73%	0.734	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-59.2	141.8	177.2	23.5	-31.5	0	0	0	109.8	A748	P746-A748 PolarHBondContact O-N 3.25Å; P746-A748 VanDerWaalsContact O-N 3.08Å
747	P	46.4	Very low	57.4	Low	124 Å²	124	108.1 Å²	108.1	81%	0.805	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-58.1	122.4	-179.1	22.5	-31.2	0	0	0	108.8	G749	P747-G749 PolarHBondContact O-N 3.4Å
748	A	44.1	Very low	54.5	Low	102 Å²	102	119.2 Å²	119.2	84%	0.843	69%	0.691	S	S	*	*			trans	-50.8	114.2	172.5	0	0	0	0	0	108.1	P746 Q750	P746-A748 PolarHBondContact O-N 3.25Å; P746-A748 VanDerWaalsContact O-N 3.08Å; A748-Q750 PolarHBondContact O-N 3.13Å
749	G	40.7	Very low	51.6	Low	70 Å²	70	123.5 Å²	123.5	72%	0.722	72%	0.716	S	S	*	*			trans	-50.6	132.1	-173.9	0	0	0	0	0	110.9	P747 A751	P747-G749 PolarHBondContact O-N 3.4Å; G749-A751 PolarHBondContact O-N 3.49Å
750	Q	35.8	Very low	48.7	Very low	192 Å²	192	125.2 Å²	125.2	90%	0.897	73%	0.729	S	S	*	*			trans	-45.8	114.8	164.2	-74.1	169.7	-9.4	0	0	108.2	A748 D752	A748-Q750 PolarHBondContact O-N 3.13Å; Q750-D752 PolarHBondContact O-N 3.45Å
751	A	35.5	Very low	45.8	Very low	97 Å²	97	130.6 Å²	130.6	80%	0.802	76%	0.763	S	S	*	*			trans	-58.7	107.7	166.2	0	0	0	0	0	107.2	G749 S753	G749-A751 PolarHBondContact O-N 3.49Å; A751-S753 PolarHBondContact O-N 3.44Å; A751-S753 VanDerWaalsContact O-N 3.11Å
752	D	34.2	Very low	43	Very low	153 Å²	153	129.9 Å²	129.9	82%	0.818	78%	0.783	S	S	*	*			trans	-62.5	110.6	176.4	-163	8.7	0	0	0	108.6	Q750 G754	Q750-D752 PolarHBondContact O-N 3.45Å; D752-G754 PolarHBondContact O-N 3.42Å
753	S	37.3	Very low	40.1	Very low	118 Å²	118	127.6 Å²	127.6	83%	0.825	79%	0.789	S	S	*	*			trans	-78	96.8	171.3	55.5	0	0	0	0	108.4	A751	A751-S753 PolarHBondContact O-N 3.44Å; A751-S753 VanDerWaalsContact O-N 3.11Å
754	G	30.2	Very low	37.6	Very low	64 Å²	64	132.3 Å²	132.3	66%	0.66	80%	0.801	S	S	*	*			trans	-164.5	67.1	-173.9	0	0	0	0	0	117.1	D752	D752-G754 PolarHBondContact O-N 3.42Å
755	D	30	Very low	35.4	Very low	161 Å²	161	135.2 Å²	135.2	86%	0.861	81%	0.81	S	S	*	*			trans	74.5	145.1	149.3	-140.1	3.8	0	0	0	122.2
756	R	32.8	Very low	33.5	Very low	217 Å²	217	141.3 Å²	141.3	82%	0.819	83%	0.829	S	S	*	*			trans	-83	150	-163	-65.6	157.6	165.7	177	-2.6	112.7
757	T	30.3	Very low	32.3	Very low	138 Å²	138	144.1 Å²	144.1	85%	0.847	84%	0.838	S	S	*	*				-175.6	125.8	110.8	34.6	0	0	0	0	113.7
758	R	30.5	Very low	31.3	Very low	233 Å²	233	147.2 Å²	147.2	88%	0.879	84%	0.841	S	S	*	*			trans	22.3	120.6	145.5	-71	177.4	169.7	170.2	-4	120.2
759	N	28.3	Very low	30.7	Very low	162 Å²	162	147.8 Å²	147.8	87%	0.866	84%	0.839	S	S	*	*				-167.4	130.8	100.8	-102.5	-7.9	0	0	0	111.9
760	D	30	Very low	30	Very low	159 Å²	159	149.6 Å²	149.6	85%	0.85	84%	0.841	S	S	*	*			trans	-65.1	138.6	168.2	-71.5	-49.5	0	0	0	111.1
761	T	28.1	Very low	29.8	Very low	145 Å²	145	146.5 Å²	146.5	89%	0.89	84%	0.835	S	S	*	*				-166.8	131	122	28.6	0	0	0	0	109.8
762	A	28.6	Very low	29.4	Very low	106 Å²	106	150.5 Å²	150.5	88%	0.876	84%	0.837	S	S	*	*			trans	-71.3	141.2	179.7	0	0	0	0	0	113
763	A	25.9	Very low	29.4	Very low	96 Å²	96	150.4 Å²	150.4	79%	0.793	84%	0.836	S	S	*	*			trans	-153.7	123.5	150	0	0	0	0	0	109
764	E	30.1	Very low	29	Very low	192 Å²	192	150.8 Å²	150.8	90%	0.897	84%	0.837	S	S	*	*			trans	-65	129.9	174	-62.9	168.4	141.4	0	0	110.7
765	T	26.6	Very low	28.9	Very low	140 Å²	140	153.9 Å²	153.9	86%	0.859	84%	0.843	S	S	*	*			trans	-154.2	134.5	153.9	34	0	0	0	0	110.4
766	H	27	Very low	28.9	Very low	186 Å²	186	152.6 Å²	152.6	86%	0.861	84%	0.84	S	S	*	*			trans	-43.1	135.4	-180	-83.6	-86.4	0	0	0	115.4	Q768	H766-Q768 PolarHBondContact O-N 2.86Å; H766-Q768 VanDerWaalsContact O-N 3.15Å
767	N	26.4	Very low	28.6	Very low	172 Å²	172	154.3 Å²	154.3	92%	0.92	86%	0.858	S	S	*	*			trans	-65.3	104	164.2	-104.3	-5.3	0	0	0	110
768	Q	25.4	Very low	28.6	Very low	189 Å²	189	155.1 Å²	155.1	88%	0.883	86%	0.858	S	S	*	*			trans	-89.8	112.7	152.8	-77.4	177	-20.6	0	0	107	H766	H766-Q768 PolarHBondContact O-N 2.86Å; H766-Q768 VanDerWaalsContact O-N 3.15Å
769	S	30.1	Very low	28.5	Very low	114 Å²	114	151 Å²	151	80%	0.797	86%	0.857	S	S	*	*			trans	-80	123.1	166.8	53.6	0	0	0	0	108.7	T771	S769-T771 PolarHBondContact O-N 2.77Å
770	S	26	Very low	28.5	Very low	108 Å²	108	150.4 Å²	150.4	76%	0.755	86%	0.857	S	S	*	*			trans	-64.4	119.2	-174.6	57.7	0	0	0	0	113.3
771	T	33.1	Very low	28.4	Very low	127 Å²	127	149.9 Å²	149.9	78%	0.779	86%	0.857	S	S	*	*			trans	-75	114	149.2	12.2	0	0	0	0	108.9	S769	S769-T771 PolarHBondContact O-N 2.77Å
772	E	27.4	Very low	28.4	Very low	180 Å²	180	150.2 Å²	150.2	84%	0.841	86%	0.855	S	S	*	*			trans	-121.3	81.9	158.5	-73.1	-173.6	161.9	0	0	105.2
773	L	33.7	Very low	28.4	Very low	151 Å²	151	153.1 Å²	153.1	79%	0.791	85%	0.854	S	S	*	*				44.8	101.8	96	-81.8	165.7	0	0	0	113.9	V775	L773-V775 PolarHBondContact O-N 3.29Å
774	C	28.9	Very low	28.6	Very low	126 Å²	126	157.2 Å²	157.2	85%	0.851	86%	0.858	S	S	*	*			trans	-42.2	122.2	152.1	-74.4	0	0	0	0	110
775	V	28.6	Very low	28.4	Very low	129 Å²	129	154.5 Å²	154.5	78%	0.782	86%	0.855	S	S	*	*			trans	-102.6	106.9	161	177.2	0	0	0	0	105.8	L773	L773-V775 PolarHBondContact O-N 3.29Å
776	V	29.3	Very low	28.6	Very low	134 Å²	134	155.8 Å²	155.8	81%	0.812	86%	0.855	S	S	*	*			trans	-61	130.8	160	177.3	0	0	0	0	107.3
777	Q	27.1	Very low	28.7	Very low	253 Å²	253	153 Å²	153	100%	1.182	85%	0.854	S	S	*	*			trans	-118	0	161.5	-118.5	-170.3	-3.7	0	0	109.5

Retrieved 777 of 777 residues in 994.1 ms (Link to these results)

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