A0A3Q0KEK5_SCHMA Loading...

Putative nachr subunit

AlphaFold DB , UniProt , Accession A0A3Q0KEK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 605 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	43	Very low	52.4	Low	224 Å²	224	140.6 Å²	140.6	100%	1.103	68%	0.683	S	S	*	*				0	114	0	-64.6	-172.8	-166.2	0	0	110.5
2	D	44.4	Very low	52.6	Low	120 Å²	120	132.3 Å²	132.3	64%	0.642	66%	0.662	S	S	*	*				-147.8	161.1	-78.1	-76.7	-42.7	0	0	0	110.1	K4	D2-K4 PolarHBondContact O-N 3.2Å
3	L	50.9	Low	53	Low	151 Å²	151	129.9 Å²	129.9	79%	0.791	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-10.6	-168.3	-91.3	61.8	0	0	0	116.7	Y5 C6	L3-Y5 VanDerWaalsContact C-N 3.26Å; L3-Y5 PolarHBondContact O-N 3.3Å; L3-C6 PolarHBondContact O-N 3.25Å; L3-C6 VanDerWaalsContact O-N 3.13Å
4	K	51.3	Low	53.3	Low	175 Å²	175	126.9 Å²	126.9	76%	0.761	64%	0.636	S	S	*	*	H	α-helix	trans	-58.8	-30.7	-174.4	-67.3	-176.4	176.8	179.6	0	114	D2 C6	D2-K4 PolarHBondContact O-N 3.2Å; K4-C6 PolarHBondContact O-N 3.11Å
5	Y	56.2	Low	53.1	Low	185 Å²	185	125.5 Å²	125.5	73%	0.725	63%	0.631	S	S	*	*	H	α-helix	trans	-72.1	-25.2	178.9	-73.6	-79.4	0	0	0	114	L3	L3-Y5 VanDerWaalsContact C-N 3.26Å; L3-Y5 PolarHBondContact O-N 3.3Å
6	C	53.3	Low	52.9	Low	78 Å²	78	127.3 Å²	127.3	53%	0.527	64%	0.637	S	S	.	*	H	α-helix	trans	-72	-37.7	-176.5	-160.6	0	0	0	0	112.3	L3 K4 I8 L9 L10	L3-C6 PolarHBondContact O-N 3.25Å; L3-C6 VanDerWaalsContact O-N 3.13Å; K4-C6 PolarHBondContact O-N 3.11Å; C6-I8 VanDerWaalsContact C-N 3.33Å; C6-I8 PolarHBondContact O-N 3.43Å; C6-L9 PolarHBondContact O-N 2.75Å; C6-L10 PolarHBondContact O-N 3.13Å
7	F	54.3	Low	52.9	Low	145 Å²	145	126 Å²	126	64%	0.636	64%	0.637	S	S	*	*	H	α-helix	trans	-65.4	-32.6	177.9	-97.5	-89.5	0	0	0	113.6	F11	F7-F11 PolarHBondContact O-N 3.41Å; F7-F11 VanDerWaalsContact O-N 3.09Å
8	I	56.8	Low	52.3	Low	122 Å²	122	125.7 Å²	125.7	63%	0.626	64%	0.637	S	S	*	*	H	α-helix	trans	-69.5	-40.8	179.7	-60.1	174.9	0	0	0	110.5	C6 G12	C6-I8 VanDerWaalsContact C-N 3.33Å; C6-I8 PolarHBondContact O-N 3.43Å; I8-G12 PolarHBondContact O-N 3.18Å
9	L	55.7	Low	51.7	Low	121 Å²	121	128.1 Å²	128.1	63%	0.634	65%	0.645	S	S	*	*	H	α-helix	trans	-65.3	-41.5	175.8	-76.2	162.7	0	0	0	112.2	C6 G12 I13	C6-L9 PolarHBondContact O-N 2.75Å; L9-G12 PolarHBondContact O-N 2.99Å; L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 3.05Å; L9-I13 VanDerWaalsContact O-N 3.12Å
10	L	54.5	Low	51.3	Low	94 Å²	94	128 Å²	128	49%	0.492	65%	0.651	S	S	.	*	H	α-helix	trans	-63.7	-43.2	176.7	-84.8	160.4	0	0	0	112.8	C6 G12 I13 I14	C6-L10 PolarHBondContact O-N 3.13Å; L10-G12 VanDerWaalsContact C-N 3.35Å; L10-I13 PolarHBondContact O-N 2.84Å; L10-I14 WeakPolarHBondContact O-CD1 3.44Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.27Å; L10-I14 PolarHBondContact O-N 3.2Å; L10-I14 VanDerWaalsContact O-N 3.14Å
11	F	56.1	Low	50.6	Low	132 Å²	132	126.6 Å²	126.6	58%	0.579	65%	0.653	S	S	*	*	H	α-helix	trans	-68.7	-30.8	175.7	-99.8	-86.9	0	0	0	113.5	F7 N15	F7-F11 PolarHBondContact O-N 3.41Å; F7-F11 VanDerWaalsContact O-N 3.09Å; F11-N15 PolarHBondContact O-N 3.03Å
12	G	55.1	Low	50.4	Low	41 Å²	41	119.2 Å²	119.2	42%	0.423	63%	0.634	S	S	.	*	H	α-helix	trans	-62.2	-52	172.6	0	0	0	0	0	112.2	I8 L9 L10 I14 N15 E16	I8-G12 PolarHBondContact O-N 3.18Å; L9-G12 PolarHBondContact O-N 2.99Å; L10-G12 VanDerWaalsContact C-N 3.35Å; G12-I14 PolarHBondContact O-N 3.14Å; G12-N15 PolarHBondContact O-N 3.39Å; G12-E16 PolarHBondContact O-N 3.45Å
13	I	58	Low	50.1	Low	101 Å²	101	121.5 Å²	121.5	52%	0.518	65%	0.645	S	S	.	*	H	α-helix	trans	-65	-38.8	-177.3	-65.9	166.7	0	0	0	111.7	L9 L10 N15 E16 V17	L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 3.05Å; L9-I13 VanDerWaalsContact O-N 3.12Å; L10-I13 PolarHBondContact O-N 2.84Å; I13-N15 VanDerWaalsContact C-N 3.31Å; I13-N15 PolarHBondContact O-N 2.86Å; I13-E16 PolarHBondContact O-N 3.16Å; I13-V17 WeakPolarHBondContact O-CG2 3.36Å; I13-V17 PolarHBondContact O-N 3.31Å; I13-V17 VanDerWaalsContact O-N 3.15Å
14	I	56.5	Low	49.8	Very low	87 Å²	87	118.2 Å²	118.2	45%	0.446	64%	0.64	S	S	.	*	H	α-helix	trans	-65	-34.7	178.6	-69.8	167.9	0	0	0	111.7	L10 G12 L18	L10-I14 WeakPolarHBondContact O-CD1 3.44Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.27Å; L10-I14 PolarHBondContact O-N 3.2Å; L10-I14 VanDerWaalsContact O-N 3.14Å; G12-I14 PolarHBondContact O-N 3.14Å; I14-L18 HydrophobicContact CG2-CD1 4.03Å; I14-L18 PolarHBondContact O-N 2.97Å
15	N	51.2	Low	49.4	Very low	106 Å²	106	115.2 Å²	115.2	57%	0.567	64%	0.638	S	S	*	*	H	α-helix	trans	-72.9	-34.9	176.9	-83.6	-23.6	0	0	0	113.5	F11 G12 I13	F11-N15 PolarHBondContact O-N 3.03Å; G12-N15 PolarHBondContact O-N 3.39Å; I13-N15 VanDerWaalsContact C-N 3.31Å; I13-N15 PolarHBondContact O-N 2.86Å
16	E	49.6	Very low	48.5	Very low	154 Å²	154	117 Å²	117	72%	0.72	65%	0.65	S	S	*	*	H	α-helix	trans	-66.1	-40	172.5	-76	-165	127.7	0	0	111.9	G12 I13 L18	G12-E16 PolarHBondContact O-N 3.45Å; I13-E16 PolarHBondContact O-N 3.16Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.44Å
17	V	51.9	Low	48.1	Very low	106 Å²	106	116.5 Å²	116.5	64%	0.642	66%	0.657	S	S	*	*	H	α-helix	trans	-68.5	-29.2	-179.6	173.5	0	0	0	0	112.5	I13	I13-V17 WeakPolarHBondContact O-CG2 3.36Å; I13-V17 PolarHBondContact O-N 3.31Å; I13-V17 VanDerWaalsContact O-N 3.15Å
18	L	43.4	Very low	47.4	Very low	120 Å²	120	117.9 Å²	117.9	63%	0.628	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-6.2	-178.3	-92.6	160.6	0	0	0	115.7	I14 E16	I14-L18 HydrophobicContact CG2-CD1 4.03Å; I14-L18 PolarHBondContact O-N 2.97Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.44Å
19	Q	40.7	Very low	46.7	Very low	171 Å²	171	117 Å²	117	80%	0.799	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-3.6	176.2	-88.9	-167.2	-23.5	0	0	115.1	S21	Q19-S21 PolarHBondContact O-N 2.89Å
20	V	43	Very low	46	Very low	127 Å²	127	123.1 Å²	123.1	77%	0.77	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-6.9	-168.9	-172.8	0	0	0	0	114
21	S	37.6	Very low	45.7	Very low	98 Å²	98	126.7 Å²	126.7	69%	0.685	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	16.8	-174.1	54.5	0	0	0	0	115.6	Q19 I23	Q19-S21 PolarHBondContact O-N 2.89Å; S21-I23 PolarHBondContact O-N 3.25Å
22	G	38.9	Very low	45	Very low	69 Å²	69	128.7 Å²	128.7	71%	0.711	71%	0.71	S	S	*	*			trans	-71.9	110.1	177.2	0	0	0	0	0	113.7	A24	G22-A24 PolarHBondContact O-N 2.79Å; G22-A24 VanDerWaalsContact O-N 3.15Å
23	I	38.2	Very low	44.7	Very low	169 Å²	169	135.7 Å²	135.7	87%	0.867	73%	0.729	S	S	*	*			trans	-68	109.5	176	-61.8	172	0	0	0	109.9	S21	S21-I23 PolarHBondContact O-N 3.25Å
24	A	43.6	Very low	44.6	Very low	82 Å²	82	137.1 Å²	137.1	68%	0.678	74%	0.742	S	S	*	*			trans	-69.7	133.6	-176.1	0	0	0	0	0	113	G22 K26	G22-A24 PolarHBondContact O-N 2.79Å; G22-A24 VanDerWaalsContact O-N 3.15Å; A24-K26 PolarHBondContact O-N 2.98Å
25	P	42	Very low	45.3	Very low	112 Å²	112	140.9 Å²	140.9	73%	0.727	76%	0.755	S	S	*	*			trans	-70.5	130.1	176.7	28.5	-33.8	0	0	0	111.4	G27	P25-G27 PolarHBondContact O-N 3.44Å
26	K	37.4	Very low	47	Very low	223 Å²	223	138.2 Å²	138.2	97%	0.97	75%	0.745	S	S	*	*	S	Bend	trans	-75	84.2	178.5	-69.3	176.4	177.3	174.9	0	111	A24	A24-K26 PolarHBondContact O-N 2.98Å
27	G	44.9	Very low	48.9	Very low	67 Å²	67	134.3 Å²	134.3	69%	0.691	73%	0.731	S	S	*	*			trans	-174.8	24.2	-176.8	0	0	0	0	0	119.2	P25	P25-G27 PolarHBondContact O-N 3.44Å
28	H	41	Very low	50.9	Low	173 Å²	173	132.9 Å²	132.9	80%	0.801	72%	0.718	S	S	*	*			trans	-84.8	133.4	171.6	-93.2	-78.6	0	0	0	112.1
29	P	41.6	Very low	53.2	Low	105 Å²	105	133.9 Å²	133.9	68%	0.682	72%	0.717	S	S	*	*			trans	-65	155.5	167.8	29.8	-34.7	0	0	0	110.3	E31	P29-E31 PolarHBondContact O-N 2.89Å
30	R	40.6	Very low	55.7	Low	248 Å²	248	128.4 Å²	128.4	94%	0.936	69%	0.694	S	S	*	*			trans	-66.3	101	177.6	-75.8	179.7	171.3	172.9	-2.9	110.4	M32	R30-M32 PolarHBondContact O-N 3.21Å; R30-M32 VanDerWaalsContact O-N 3.13Å
31	E	47.6	Very low	58.1	Low	170 Å²	170	122.4 Å²	122.4	79%	0.794	66%	0.657	S	S	*	*			trans	-57.2	117.3	165.4	-77	-165.8	140.6	0	0	110.1	P29 K33	P29-E31 PolarHBondContact O-N 2.89Å; E31-K33 PolarHBondContact O-N 3.22Å
32	M	43.3	Very low	60.8	Low	173 Å²	173	119.4 Å²	119.4	85%	0.852	63%	0.633	S	S	*	*			trans	-74.4	89.5	176.2	-173.9	169.6	174.8	0	0	108.6	R30 T34	R30-M32 PolarHBondContact O-N 3.21Å; R30-M32 VanDerWaalsContact O-N 3.13Å; M32-T34 VanDerWaalsContact C-N 3.32Å; M32-T34 PolarHBondContact O-N 3.19Å
33	K	46.9	Very low	63.4	Low	189 Å²	189	123.3 Å²	123.3	82%	0.822	63%	0.626	S	S	*	*			trans	-58.4	83.9	-174.5	-72.7	-174.4	176.1	179.5	0	113.4	E31 K35	E31-K33 PolarHBondContact O-N 3.22Å; K33-K35 PolarHBondContact O-N 3.16Å
34	T	57.2	Low	66	Low	130 Å²	130	117.6 Å²	117.6	80%	0.798	60%	0.596	S	S	*	*			trans	-65.1	99.5	166.8	40.5	0	0	0	0	109.2	M32 S36	M32-T34 VanDerWaalsContact C-N 3.32Å; M32-T34 PolarHBondContact O-N 3.19Å; T34-S36 PolarHBondContact O-N 2.87Å
35	K	70.3	Confident	68.5	Low	166 Å²	166	113.7 Å²	113.7	72%	0.722	56%	0.564	S	S	*	*			trans	-63.9	108.7	176.7	-64.7	179	-177.5	174.3	0	108.9	K33 V37	K33-K35 PolarHBondContact O-N 3.16Å; K35-V37 PolarHBondContact O-N 3.4Å
36	S	87.2	Confident	70.9	Confident	51 Å²	51	109.4 Å²	109.4	36%	0.357	54%	0.535	S	S	.	.			trans	-44.7	126.5	172.9	158.6	0	0	0	0	111.2	T34 K39 N40	T34-S36 PolarHBondContact O-N 2.87Å; S36-K39 PolarHBondContact O-N 3.39Å; S36-K39 PolarHBondContact OG-N 2.96Å; S36-N40 PolarHBondContact O-N 3.08Å; S36-N40 PolarHBondContact O-ND2 3.01Å
37	V	90.9	Very high	73.6	Confident	71 Å²	71	102.6 Å²	102.6	43%	0.43	51%	0.509	S	S	.	.	H	α-helix	trans	-65.4	-42	-175.6	-171.9	0	0	0	0	110.6	K35 K39 N40 L41 Y109 I112	K35-V37 PolarHBondContact O-N 3.4Å; V37-K39 VanDerWaalsContact C-N 3.32Å; V37-K39 PolarHBondContact O-N 3.41Å; V37-N40 WeakPolarHBondContact O-CA 3.33Å; V37-N40 WeakPolarHBondContact O-CB 3.27Å; V37-N40 PolarHBondContact O-N 3.26Å; V37-L41 PolarHBondContact O-N 3.07Å; V37-Y109 HydrophobicContact CG1-CD1 4.03Å; V37-Y109 WeakPolarHBondContact CG1-O 3.36Å; V37-I112 HydrophobicContact CB-CD1 4.39Å; V37-I112 HydrophobicContact CG1-CD1 4.45Å
38	E	92.7	Very high	75.8	Confident	77 Å²	77	102.7 Å²	102.7	36%	0.36	49%	0.488	S	S	.	.	H	α-helix	trans	-54	-45.2	171.7	-166.6	-164.1	-178.4	0	0	112.1	N40 L41 I42 I112 V115	E38-N40 PolarHBondContact O-N 2.7Å; E38-L41 PolarHBondContact O-N 2.84Å; E38-I42 HydrophobicContact CG-CD1 3.89Å; E38-I42 HydrophobicContact CG-CG1 4.44Å; E38-I42 WeakPolarHBondContact O-CG1 3.27Å; E38-I42 PolarHBondContact O-N 3.04Å; E38-I112 HydrophobicContact CB-CD1 3.82Å; E38-I112 HydrophobicContact CG-CD1 4.42Å; E38-V115 HydrophobicContact CG-CG1 4.26Å
39	K	92.4	Very high	78.1	Confident	141 Å²	141	94.6 Å²	94.6	61%	0.613	45%	0.451	S	S	*	.	H	α-helix	trans	-68.3	-17.1	177.8	-69.3	-176.8	-178.5	176.8	0	113.4	S36 V37 R43	S36-K39 PolarHBondContact O-N 3.39Å; S36-K39 PolarHBondContact OG-N 2.96Å; V37-K39 VanDerWaalsContact C-N 3.32Å; V37-K39 PolarHBondContact O-N 3.41Å; K39-R43 PolarHBondContact O-NH1 3.28Å; K39-R43 VanDerWaalsContact O-NH1 3.09Å
40	N	92.1	Very high	80.3	Confident	56 Å²	56	96.1 Å²	96.1	30%	0.299	45%	0.449	S	S	.	.	H	α-helix	trans	-88.6	-41	171.7	-62.2	-29.9	0	0	0	111	S36 V37 E38 R43 M44	S36-N40 PolarHBondContact O-N 3.08Å; S36-N40 PolarHBondContact O-ND2 3.01Å; V37-N40 WeakPolarHBondContact O-CA 3.33Å; V37-N40 WeakPolarHBondContact O-CB 3.27Å; V37-N40 PolarHBondContact O-N 3.26Å; E38-N40 PolarHBondContact O-N 2.7Å; N40-R43 PolarHBondContact O-N 2.92Å; N40-R43 PolarHBondContact OD1-NH1 2.94Å; N40-M44 WeakPolarHBondContact O-CB 3.44Å; N40-M44 PolarHBondContact O-N 2.86Å
41	L	94.4	Very high	82.6	Confident	0 Å²	0	90.6 Å²	90.6	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-56.2	-55.1	172.4	173.3	55.9	0	0	0	111.4	V37 E38 R43 M44 L45 W104 Y109 I112 V115	V37-L41 PolarHBondContact O-N 3.07Å; E38-L41 PolarHBondContact O-N 2.84Å; L41-R43 VanDerWaalsContact C-N 3.29Å; L41-R43 PolarHBondContact O-N 3.35Å; L41-M44 HydrophobicContact CD1-CE 3.91Å; L41-M44 WeakPolarHBondContact O-CB 3.49Å; L41-M44 PolarHBondContact O-N 2.99Å; L41-L45 HydrophobicContact CD1-CD1 3.82Å; L41-L45 HydrophobicContact CD1-CD2 4.46Å; L41-L45 HydrophobicContact CD1-CG 3.96Å; L41-L45 HydrophobicContact CG-CD1 4.04Å; L41-L45 WeakPolarHBondContact O-CG 3.42Å; L41-L45 PolarHBondContact O-N 2.91Å; L41-W104 HydrophobicContact CD1-CB 3.93Å; L41-W104 HydrophobicContact CD1-CD2 3.87Å; L41-W104 HydrophobicContact CD1-CE3 4.37Å; L41-W104 HydrophobicContact CD1-CG 3.63Å; L41-W104 HydrophobicContact CD2-CD2 4.12Å; L41-W104 HydrophobicContact CD2-CG 4.31Å; L41-W104 HydrophobicContact CD2-CZ2 4.15Å; L41-Y109 HydrophobicContact CB-CD1 3.65Å; L41-Y109 HydrophobicContact CB-CE1 4.07Å; L41-Y109 HydrophobicContact CB-CG 4.07Å; L41-Y109 HydrophobicContact CD1-CD1 4.1Å; L41-Y109 HydrophobicContact CD1-CD2 3.84Å; L41-Y109 HydrophobicContact CD1-CE1 4.22Å; L41-Y109 HydrophobicContact CD1-CE2 3.96Å; L41-Y109 HydrophobicContact CD1-CG 3.91Å; L41-Y109 HydrophobicContact CD2-CG 4.23Å; L41-Y109 HydrophobicContact CG-CD1 4.33Å; L41-Y109 HydrophobicContact CG-CG 4.29Å; L41-I112 HydrophobicContact CD2-CB 4.16Å; L41-I112 HydrophobicContact CD2-CD1 4.48Å; L41-I112 HydrophobicContact CD2-CG2 3.84Å; L41-V115 HydrophobicContact CD2-CG1 3.59Å; L41-V115 HydrophobicContact CG-CG1 4.15Å
42	I	94.2	Very high	84.4	Confident	35 Å²	35	89.5 Å²	89.5	18%	0.179	43%	0.427	C	S	.	.	H	α-helix	trans	-59.3	-40.5	179.7	-66.6	171.2	0	0	0	111.1	E38 M44 L45 L46 V115	E38-I42 HydrophobicContact CG-CD1 3.89Å; E38-I42 HydrophobicContact CG-CG1 4.44Å; E38-I42 WeakPolarHBondContact O-CG1 3.27Å; E38-I42 PolarHBondContact O-N 3.04Å; I42-M44 PolarHBondContact O-N 3.48Å; I42-L45 PolarHBondContact O-N 3.43Å; I42-L46 HydrophobicContact CG2-CD1 3.86Å; I42-L46 HydrophobicContact CG2-CG 4.33Å; I42-L46 WeakPolarHBondContact O-CB 3.28Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.31Å; I42-L46 PolarHBondContact O-N 3.31Å; I42-V115 HydrophobicContact CD1-CB 4.15Å; I42-V115 HydrophobicContact CD1-CG1 4.43Å; I42-V115 HydrophobicContact CG1-CB 3.92Å; I42-V115 HydrophobicContact CG1-CG1 4.02Å; I42-V115 HydrophobicContact CG1-CG2 4.32Å
43	R	93.6	Very high	86.1	Confident	152 Å²	152	82.9 Å²	82.9	57%	0.574	40%	0.403	S	S	*	.	H	α-helix	trans	-66.1	-37.2	176.4	-170.3	-176.2	-59.5	95.4	7.2	112.4	K39 N40 L41 N47	K39-R43 PolarHBondContact O-NH1 3.28Å; K39-R43 VanDerWaalsContact O-NH1 3.09Å; N40-R43 PolarHBondContact O-N 2.92Å; N40-R43 PolarHBondContact OD1-NH1 2.94Å; L41-R43 VanDerWaalsContact C-N 3.29Å; L41-R43 PolarHBondContact O-N 3.35Å; R43-N47 WeakPolarHBondContact O-CB 3.49Å; R43-N47 PolarHBondContact O-N 3.41Å
44	M	93.4	Very high	87.6	Confident	48 Å²	48	76.5 Å²	76.5	24%	0.236	38%	0.38	C	S	.	.	H	α-helix	trans	-65.8	-47.6	175.8	-178.3	-74.5	-63.7	0	0	110.8	N40 L41 I42 L46 N47 R48 Y109	N40-M44 WeakPolarHBondContact O-CB 3.44Å; N40-M44 PolarHBondContact O-N 2.86Å; L41-M44 HydrophobicContact CD1-CE 3.91Å; L41-M44 WeakPolarHBondContact O-CB 3.49Å; L41-M44 PolarHBondContact O-N 2.99Å; I42-M44 PolarHBondContact O-N 3.48Å; M44-L46 PolarHBondContact O-N 2.88Å; M44-N47 PolarHBondContact O-N 3.22Å; M44-R48 WeakPolarHBondContact O-CB 3.36Å; M44-R48 PolarHBondContact O-N 3.26Å; M44-R48 PolarHBondContact SD-NH2 3.34Å; M44-Y109 HydrophobicContact CE-CE2 4.23Å
45	L	94.3	Very high	88.8	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-60.9	-44.7	177.9	-67	172.3	0	0	0	112.2	L41 I42 R48 Y49 L102 W104 V115	L41-L45 HydrophobicContact CD1-CD1 3.82Å; L41-L45 HydrophobicContact CD1-CD2 4.46Å; L41-L45 HydrophobicContact CD1-CG 3.96Å; L41-L45 HydrophobicContact CG-CD1 4.04Å; L41-L45 WeakPolarHBondContact O-CG 3.42Å; L41-L45 PolarHBondContact O-N 2.91Å; I42-L45 PolarHBondContact O-N 3.43Å; L45-R48 WeakPolarHBondContact O-CB 3.43Å; L45-R48 PolarHBondContact O-N 3.12Å; L45-Y49 PolarHBondContact O-N 3.15Å; L45-L102 HydrophobicContact CB-CD2 4.1Å; L45-W104 HydrophobicContact CD1-CE3 3.73Å; L45-W104 HydrophobicContact CD1-CZ3 3.88Å; L45-W104 HydrophobicContact CD2-CE3 4.09Å; L45-V115 HydrophobicContact CD1-CG2 4.03Å
46	L	94	Very high	89.4	Confident	23 Å²	23	72.4 Å²	72.4	12%	0.12	37%	0.367	C	S	.	.	H	α-helix	trans	-67.8	-45.3	178.8	-71	176.1	0	0	0	112.7	I42 M44 R48 Y49 E50 I117 Q121 I122	I42-L46 HydrophobicContact CG2-CD1 3.86Å; I42-L46 HydrophobicContact CG2-CG 4.33Å; I42-L46 WeakPolarHBondContact O-CB 3.28Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.31Å; I42-L46 PolarHBondContact O-N 3.31Å; M44-L46 PolarHBondContact O-N 2.88Å; L46-R48 VanDerWaalsContact C-N 3.27Å; L46-R48 PolarHBondContact O-N 3.38Å; L46-Y49 CarbonylContact O-C 3.59Å; L46-Y49 WeakPolarHBondContact O-CA 3.46Å; L46-Y49 WeakPolarHBondContact O-CB 3.3Å; L46-Y49 PolarHBondContact O-N 3.06Å; L46-E50 WeakPolarHBondContact O-CG 3.46Å; L46-E50 PolarHBondContact O-N 3.14Å; L46-I117 HydrophobicContact CD2-CG2 3.93Å; L46-Q121 HydrophobicContact CD2-CB 3.71Å; L46-I122 HydrophobicContact CD2-CG2 4.42Å
47	N	92.8	Very high	89.6	Confident	79 Å²	79	71.9 Å²	71.9	42%	0.422	36%	0.358	S	S	.	.	H	α-helix	trans	-61.1	-37.1	175.4	-176.6	14.9	0	0	0	111.5	R43 M44 E50 Q51	R43-N47 WeakPolarHBondContact O-CB 3.49Å; R43-N47 PolarHBondContact O-N 3.41Å; M44-N47 PolarHBondContact O-N 3.22Å; N47-E50 PolarHBondContact O-N 2.91Å; N47-Q51 VanDerWaalsContact CG-NE2 3.34Å; N47-Q51 VanDerWaalsContact O-CG 3.23Å; N47-Q51 WeakPolarHBondContact O-CG 3.38Å; N47-Q51 PolarHBondContact O-N 2.94Å; N47-Q51 PolarHBondContact OD1-NE2 3.29Å
48	R	91.1	Very high	89.6	Confident	69 Å²	69	69 Å²	69	26%	0.26	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-44.8	171	-173.4	-164.5	-66.8	173	-3.6	111.2	M44 L45 L46 E50 Q51 F52 L101 R103	M44-R48 WeakPolarHBondContact O-CB 3.36Å; M44-R48 PolarHBondContact O-N 3.26Å; M44-R48 PolarHBondContact SD-NH2 3.34Å; L45-R48 WeakPolarHBondContact O-CB 3.43Å; L45-R48 PolarHBondContact O-N 3.12Å; L46-R48 VanDerWaalsContact C-N 3.27Å; L46-R48 PolarHBondContact O-N 3.38Å; R48-E50 PolarHBondContact O-N 3.12Å; R48-Q51 PolarHBondContact O-N 2.74Å; R48-F52 HydrophobicContact CG-CD2 3.83Å; R48-F52 HydrophobicContact CG-CE2 3.87Å; R48-F52 WeakPolarHBondContact O-CD2 3.33Å; R48-F52 PolarHBondContact O-N 3.26Å; R48-L101 WeakPolarHBondContact CD-O 3.49Å; R48-L101 PolarHBondContact NH1-O 3.44Å; R48-R103 PolarHBondContact NH1-O 3.24Å
49	Y	90.5	Very high	89.5	Confident	3 Å²	3	67 Å²	67	1%	0.012	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-37.8	178.1	-136	-94.3	0	0	0	112.7	L45 L46 Q51 G53 V54 D99 L101 L102 I122 W123	L45-Y49 PolarHBondContact O-N 3.15Å; L46-Y49 CarbonylContact O-C 3.59Å; L46-Y49 WeakPolarHBondContact O-CA 3.46Å; L46-Y49 WeakPolarHBondContact O-CB 3.3Å; L46-Y49 PolarHBondContact O-N 3.06Å; Y49-Q51 VanDerWaalsContact C-N 3.34Å; Y49-G53 CarbonylContact O-C 3.48Å; Y49-G53 WeakPolarHBondContact O-CA 3.18Å; Y49-G53 PolarHBondContact O-N 2.94Å; Y49-V54 HydrophobicContact CD1-CB 4.23Å; Y49-V54 HydrophobicContact CD1-CG1 4.06Å; Y49-V54 HydrophobicContact CD1-CG2 4.2Å; Y49-V54 HydrophobicContact CE1-CB 4.48Å; Y49-V54 HydrophobicContact CE1-CG1 4.11Å; Y49-D99 VanDerWaalsContact CE2-OD2 3.23Å; Y49-D99 WeakPolarHBondContact CE2-OD2 3.13Å; Y49-D99 PolarHBondContact OH-OD2 3.45Å; Y49-L101 HydrophobicContact CD2-CB 3.95Å; Y49-L101 HydrophobicContact CD2-CD1 4.16Å; Y49-L101 HydrophobicContact CE2-CB 3.9Å; Y49-L101 HydrophobicContact CE2-CD1 3.94Å; Y49-L102 HydrophobicContact CD2-CD1 4.31Å; Y49-L102 HydrophobicContact CD2-CD2 3.64Å; Y49-L102 HydrophobicContact CD2-CG 3.8Å; Y49-L102 HydrophobicContact CE2-CD1 3.85Å; Y49-L102 HydrophobicContact CE2-CD2 4.03Å; Y49-L102 HydrophobicContact CE2-CG 3.66Å; Y49-I122 HydrophobicContact CD1-CB 4.49Å; Y49-I122 HydrophobicContact CD1-CG2 4.25Å; Y49-I122 HydrophobicContact CD2-CG2 4.34Å; Y49-I122 HydrophobicContact CE1-CB 4.09Å; Y49-I122 HydrophobicContact CE1-CG2 4.28Å; Y49-I122 HydrophobicContact CE2-CG2 4.36Å; Y49-I122 HydrophobicContact CG-CG2 4.26Å; Y49-W123 HydrophobicContact CE1-CB 4.45Å; Y49-W123 VanDerWaalsContact OH-CB 3.32Å; Y49-W123 WeakPolarHBondContact OH-CB 3.26Å; Y49-W123 PolarHBondContact OH-N 2.82Å; Y49-W123 VanDerWaalsContact OH-N 3.11Å
50	E	87.6	Confident	89.1	Confident	137 Å²	137	66.8 Å²	66.8	64%	0.64	34%	0.339	S	S	*	.	H	α-helix	trans	-64.4	-35.7	172.7	-71.7	171.1	177.1	0	0	112.1	L46 N47 R48	L46-E50 WeakPolarHBondContact O-CG 3.46Å; L46-E50 PolarHBondContact O-N 3.14Å; N47-E50 PolarHBondContact O-N 2.91Å; R48-E50 PolarHBondContact O-N 3.12Å
51	Q	88	Confident	89	Confident	133 Å²	133	67.2 Å²	67.2	62%	0.621	34%	0.341	S	S	*	.	H	α-helix	trans	-73.6	-39.6	178	-73.1	167.3	30.1	0	0	114.1	N47 R48 Y49	N47-Q51 VanDerWaalsContact CG-NE2 3.34Å; N47-Q51 VanDerWaalsContact O-CG 3.23Å; N47-Q51 WeakPolarHBondContact O-CG 3.38Å; N47-Q51 PolarHBondContact O-N 2.94Å; N47-Q51 PolarHBondContact OD1-NE2 3.29Å; R48-Q51 PolarHBondContact O-N 2.74Å; Y49-Q51 VanDerWaalsContact C-N 3.34Å
52	F	85.9	Confident	88.7	Confident	146 Å²	146	71.3 Å²	71.3	64%	0.64	37%	0.37	S	S	*	.	H	α-helix	trans	-85.3	-19.5	177.3	-74.5	-78.6	0	0	0	113.3	R48 L101	R48-F52 HydrophobicContact CG-CD2 3.83Å; R48-F52 HydrophobicContact CG-CE2 3.87Å; R48-F52 WeakPolarHBondContact O-CD2 3.33Å; R48-F52 PolarHBondContact O-N 3.26Å; F52-L101 HydrophobicContact CB-CD1 3.95Å; F52-L101 HydrophobicContact CB-CD2 4.07Å; F52-L101 HydrophobicContact CD1-CD2 4.36Å; F52-L101 HydrophobicContact CD2-CD2 4Å; F52-L101 HydrophobicContact CG-CD2 3.88Å
53	G	78.8	Confident	88.5	Confident	35 Å²	35	78 Å²	78	36%	0.361	40%	0.397	S	S	.	.			trans	105.6	125.6	175.6	0	0	0	0	0	113.2	Y49 I55	Y49-G53 CarbonylContact O-C 3.48Å; Y49-G53 WeakPolarHBondContact O-CA 3.18Å; Y49-G53 PolarHBondContact O-N 2.94Å; G53-I55 VanDerWaalsContact C-N 3.28Å; G53-I55 PolarHBondContact O-N 2.95Å
54	V	78.6	Confident	88.5	Confident	54 Å²	54	75 Å²	75	33%	0.327	39%	0.392	S	S	.	.	S	Bend	trans	-72.5	-21.2	178.9	-162.1	0	0	0	0	112.6	Y49	Y49-V54 HydrophobicContact CD1-CB 4.23Å; Y49-V54 HydrophobicContact CD1-CG1 4.06Å; Y49-V54 HydrophobicContact CD1-CG2 4.2Å; Y49-V54 HydrophobicContact CE1-CB 4.48Å; Y49-V54 HydrophobicContact CE1-CG1 4.11Å
55	I	81.6	Confident	88.5	Confident	175 Å²	175	76.9 Å²	76.9	90%	0.897	40%	0.399	S	S	*	.	S	Bend	trans	-101.9	89.4	-172.3	-54.1	175.6	0	0	0	110	G53	G53-I55 VanDerWaalsContact C-N 3.28Å; G53-I55 PolarHBondContact O-N 2.95Å
56	G	83.8	Confident	88.5	Confident	35 Å²	35	77.2 Å²	77.2	36%	0.361	40%	0.401	S	S	.	.	S	Bend	trans	167.5	161.8	175.9	0	0	0	0	0	111.4	W123	G56-W123 VanDerWaalsContact O-CG 3.24Å
57	R	91.4	Very high	88.6	Confident	41 Å²	41	79.2 Å²	79.2	16%	0.155	41%	0.412	C	S	.	.			trans	-65.1	137.6	171.2	-71.2	-178.7	-63.1	120.1	9.9	109	V59 S62 I64 V66 W123 Y188 Q192	R57-V59 HydrophobicContact CB-CG2 4.14Å; R57-V59 PolarHBondContact O-N 2.94Å; R57-S62 PolarHBondContact NH2-O 2.66Å; R57-I64 PolarHBondContact NH1-O 3.06Å; R57-V66 HydrophobicContact CB-CG2 3.82Å; R57-V66 HydrophobicContact CG-CG2 4.17Å; R57-W123 HydrophobicContact CG-CZ2 4.1Å; R57-Y188 HydrophobicContact CG-CD1 4.21Å; R57-Y188 HydrophobicContact CG-CE1 3.6Å; R57-Y188 HydrophobicContact CG-CE2 4.27Å; R57-Q192 VanDerWaalsContact CD-O 3.26Å; R57-Q192 WeakPolarHBondContact CD-O 3.24Å; R57-Q192 PolarHBondContact NH1-O 3.49Å
58	P	90.4	Very high	88.8	Confident	9 Å²	9	75.4 Å²	75.4	6%	0.058	39%	0.391	C	S	.	.	S	Bend	trans	-77.9	68.7	-176.3	32.3	-37.8	0	0	0	111.9	D99 W123	P58-D99 HydrophobicContact CB-CB 4.09Å; P58-D99 VanDerWaalsContact CB-CG 3.45Å; P58-D99 WeakPolarHBondContact CB-OD2 3.43Å; P58-D99 HydrophobicContact CG-CB 4.36Å; P58-W123 VanDerWaalsContact CD-CD2 3.5Å; P58-W123 HydrophobicContact CG-CD2 4.27Å; P58-W123 HydrophobicContact CG-CE3 3.7Å; P58-W123 HydrophobicContact CG-CZ3 4.04Å
59	V	89.7	Confident	89.1	Confident	37 Å²	37	76.4 Å²	76.4	22%	0.224	40%	0.395	C	S	.	.			trans	-131.3	138.9	-177.8	-66.4	0	0	0	0	111.2	R57 D61 I64 V66	R57-V59 HydrophobicContact CB-CG2 4.14Å; R57-V59 PolarHBondContact O-N 2.94Å; V59-D61 VanDerWaalsContact C-N 3.3Å; V59-D61 VanDerWaalsContact CG2-O 3.31Å; V59-D61 WeakPolarHBondContact CG2-O 3.33Å; V59-D61 PolarHBondContact O-N 3.07Å; V59-I64 HydrophobicContact CB-CB 4.21Å; V59-I64 HydrophobicContact CG1-CB 4.19Å; V59-I64 HydrophobicContact CG1-CG2 4.06Å; V59-V66 HydrophobicContact CG1-CG2 3.6Å
60	N	85.8	Confident	89.4	Confident	136 Å²	136	76.2 Å²	76.2	73%	0.727	39%	0.394	S	S	*	.	S	Bend	trans	-72.2	-23.7	-180	-64.6	24.5	0	0	0	112.9	S100	N60-S100 VanDerWaalsContact OD1-CB 3.28Å; N60-S100 WeakPolarHBondContact OD1-CB 3.4Å; N60-S100 PolarHBondContact OD1-OG 3.29Å
61	D	89.1	Confident	89.8	Confident	64 Å²	64	69.7 Å²	69.7	34%	0.342	36%	0.364	S	S	.	.	S	Bend	trans	-129.8	130.4	168.4	178	-1.6	0	0	0	108.8	V59 K63 I64	V59-D61 VanDerWaalsContact C-N 3.3Å; V59-D61 VanDerWaalsContact CG2-O 3.31Å; V59-D61 WeakPolarHBondContact CG2-O 3.33Å; V59-D61 PolarHBondContact O-N 3.07Å; D61-K63 PolarHBondContact O-N 3.3Å; D61-K63 PolarHBondContact OD1-N 2.86Å; D61-I64 HydrophobicContact CB-CD1 4.1Å; D61-I64 HydrophobicContact CB-CG1 4.24Å; D61-I64 WeakPolarHBondContact O-CB 3.45Å; D61-I64 PolarHBondContact O-N 3.03Å
62	S	87.8	Confident	90.3	Very high	86 Å²	86	63.4 Å²	63.4	60%	0.601	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.3	-33	166.7	62.4	0	0	0	0	116	R57 I64	R57-S62 PolarHBondContact NH2-O 2.66Å; S62-I64 VanDerWaalsContact C-N 3.33Å
63	K	90.2	Very high	90.7	Very high	175 Å²	175	57.3 Å²	57.3	76%	0.761	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.7	-179.2	-62.8	175.1	-172.4	167.1	0	114.2	D61	D61-K63 PolarHBondContact O-N 3.3Å; D61-K63 PolarHBondContact OD1-N 2.86Å
64	I	93	Very high	91.6	Very high	91 Å²	91	55.6 Å²	55.6	47%	0.467	29%	0.291	S	S	.	.	S	Bend	trans	-77.7	129.6	178.9	-60.4	170.3	0	0	0	108	R57 V59 D61 S62	R57-I64 PolarHBondContact NH1-O 3.06Å; V59-I64 HydrophobicContact CB-CB 4.21Å; V59-I64 HydrophobicContact CG1-CB 4.19Å; V59-I64 HydrophobicContact CG1-CG2 4.06Å; D61-I64 HydrophobicContact CB-CD1 4.1Å; D61-I64 HydrophobicContact CB-CG1 4.24Å; D61-I64 WeakPolarHBondContact O-CB 3.45Å; D61-I64 PolarHBondContact O-N 3.03Å; S62-I64 VanDerWaalsContact C-N 3.33Å
65	K	93.6	Very high	92.3	Very high	87 Å²	87	56.2 Å²	56.2	38%	0.378	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-77.4	145.5	171.7	70.2	-176.4	-175.9	95	0	110.7	D67 Q192 D194	K65-D67 WeakPolarHBondContact CE-OD1 3.45Å; K65-D67 WeakPolarHBondContact CG-OD1 3.35Å; K65-D67 IonicContact NZ-OD1 3.52Å; K65-D67 PolarHBondContact NZ-OD1 3.19Å; K65-D67 IonicContact NZ-OD2 3.82Å; K65-D67 PolarHBondContact NZ-OD2 3.02Å; K65-Q192 WeakPolarHBondContact CA-O 3.42Å; K65-D194 HydrophobicContact CD-CB 4.47Å; K65-D194 IonicContact NZ-OD2 3.08Å
66	V	94.9	Very high	92.9	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.3	169.7	-179.2	0	0	0	0	108.6	R57 V59 V68 W123 Q192 M193 D194	R57-V66 HydrophobicContact CB-CG2 3.82Å; R57-V66 HydrophobicContact CG-CG2 4.17Å; V59-V66 HydrophobicContact CG1-CG2 3.6Å; V66-V68 HydrophobicContact CG1-CG2 3.92Å; V66-W123 HydrophobicContact CB-CH2 4.48Å; V66-W123 HydrophobicContact CG1-CH2 3.93Å; V66-W123 HydrophobicContact CG1-CZ3 4.15Å; V66-Q192 PolarHBondContact N-O 3.43Å; V66-M193 HydrophobicContact CB-CG 4.2Å; V66-M193 CarbonylContact O-C 3.57Å; V66-M193 VanDerWaalsContact O-CA 3.27Å; V66-M193 WeakPolarHBondContact O-CA 3.28Å; V66-M193 WeakPolarHBondContact O-CG 3.48Å; V66-D194 PolarHBondContact O-N 3.1Å
67	D	95.8	Very high	93.5	Very high	64 Å²	64	49.3 Å²	49.3	34%	0.342	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.9	175.6	-74.4	0.3	0	0	0	109.6	K65 L196	K65-D67 WeakPolarHBondContact CE-OD1 3.45Å; K65-D67 WeakPolarHBondContact CG-OD1 3.35Å; K65-D67 IonicContact NZ-OD1 3.52Å; K65-D67 PolarHBondContact NZ-OD1 3.19Å; K65-D67 IonicContact NZ-OD2 3.82Å; K65-D67 PolarHBondContact NZ-OD2 3.02Å; D67-L196 HydrophobicContact CB-CD1 4.02Å
68	V	97.3	Very high	93.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.5	180	-175.4	0	0	0	0	108.3	V66 Y70 Y95 W97 P125 I127 M193 D194 I195 L196	V66-V68 HydrophobicContact CG1-CG2 3.92Å; V68-Y70 PolarHBondContact O-N 3.11Å; V68-Y95 HydrophobicContact CG1-CD1 4.43Å; V68-W97 HydrophobicContact CG2-CB 4.14Å; V68-P125 HydrophobicContact CG1-CB 4.29Å; V68-P125 HydrophobicContact CG1-CG 3.99Å; V68-P125 HydrophobicContact CG2-CB 3.97Å; V68-P125 HydrophobicContact CG2-CG 4.32Å; V68-I127 HydrophobicContact CG1-CD1 3.94Å; V68-M193 HydrophobicContact CG2-CG 3.89Å; V68-M193 HydrophobicContact CG2-SD 3.63Å; V68-D194 PolarHBondContact N-O 3.01Å; V68-I195 WeakPolarHBondContact O-CA 3.4Å; V68-L196 PolarHBondContact O-N 2.99Å
69	R	97.4	Very high	93.7	Very high	89 Å²	89	53.3 Å²	53.3	34%	0.336	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.1	166.7	-69.6	-177.6	179.7	176.3	-0.1	108.3	K96 L196 W197	R69-K96 HydrophobicContact CB-CB 4.23Å; R69-K96 PolarHBondContact N-O 3.44Å; R69-K96 PolarHBondContact O-N 2.85Å; R69-L196 WeakPolarHBondContact CA-O 3.44Å; R69-L196 HydrophobicContact CG-CB 4.07Å; R69-W197 WeakPolarHBondContact CG-O 3.38Å
70	Y	97.4	Very high	93.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.5	178	-175.6	-97.1	0	0	0	110.2	V68 L72 S93 M94 Y95 I127 F183 L196 W198 L266 Y268	V68-Y70 PolarHBondContact O-N 3.11Å; Y70-L72 HydrophobicContact CE1-CB 4.44Å; Y70-S93 PolarHBondContact OH-OG 3.4Å; Y70-S93 VanDerWaalsContact OH-OG 3.1Å; Y70-M94 CarbonylContact C-O 3.54Å; Y70-M94 WeakPolarHBondContact CA-O 3.4Å; Y70-Y95 AromaticContact CD2-CD1 3.89Å; Y70-Y95 HydrophobicContact CD2-CD1 3.89Å; Y70-Y95 AromaticContact CD2-CE1 3.81Å; Y70-Y95 HydrophobicContact CD2-CE1 3.81Å; Y70-Y95 HydrophobicContact CD2-CG 4.31Å; Y70-Y95 HydrophobicContact CE2-CD1 4.26Å; Y70-Y95 HydrophobicContact CE2-CD2 4.46Å; Y70-Y95 AromaticContact CE2-CE1 3.81Å; Y70-Y95 HydrophobicContact CE2-CE1 3.81Å; Y70-Y95 HydrophobicContact CE2-CE2 4.02Å; Y70-Y95 AromaticContact CE2-CZ 3.65Å; Y70-I127 HydrophobicContact CD2-CD1 3.91Å; Y70-I127 HydrophobicContact CD2-CG2 4.46Å; Y70-I127 HydrophobicContact CE2-CG2 4.42Å; Y70-I127 HydrophobicContact CG-CD1 4.19Å; Y70-F183 HydrophobicContact CD1-CB 4.38Å; Y70-F183 HydrophobicContact CE1-CB 3.93Å; Y70-F183 HydrophobicContact CE1-CD1 4.22Å; Y70-F183 AromaticContact CE1-CD2 3.87Å; Y70-F183 HydrophobicContact CE1-CD2 3.87Å; Y70-F183 HydrophobicContact CE1-CE2 4.47Å; Y70-F183 AromaticContact CE1-CG 3.72Å; Y70-F183 HydrophobicContact CE1-CG 3.72Å; Y70-F183 AromaticContact CZ-CG 3.99Å; Y70-F183 WeakPolarHBondContact OH-CE1 3.21Å; Y70-L196 PolarHBondContact N-O 3.28Å; Y70-W198 PolarHBondContact O-N 3.45Å; Y70-W198 VanDerWaalsContact O-N 3.13Å; Y70-L266 HydrophobicContact CD1-CD1 4.15Å; Y70-Y268 AromaticContact CD1-CE2 3.97Å; Y70-Y268 HydrophobicContact CD1-CE2 3.97Å; Y70-Y268 AromaticContact CE1-CE2 3.89Å; Y70-Y268 HydrophobicContact CE1-CE2 3.89Å; Y70-Y268 PolarHBondContact O-OH 2.93Å; Y70-Y268 VanDerWaalsContact O-OH 3.13Å
71	G	96.4	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	155.1	174.1	0	0	0	0	0	111.1	M94 Y268	G71-M94 PolarHBondContact N-O 2.91Å; G71-M94 PolarHBondContact O-N 3.42Å; G71-Y268 WeakPolarHBondContact CA-OH 3.36Å
72	L	96.7	Very high	94	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.5	173.6	-167.2	66	0	0	0	108.5	Y70 C91 F161 L181 F183 L211 D212 Y268	Y70-L72 HydrophobicContact CE1-CB 4.44Å; L72-C91 HydrophobicContact CD1-CB 3.63Å; L72-C91 HydrophobicContact CG-CB 4.28Å; L72-F161 HydrophobicContact CD1-CE2 3.98Å; L72-L181 HydrophobicContact CD2-CD1 4.09Å; L72-F183 HydrophobicContact CD1-CE2 4.48Å; L72-F183 HydrophobicContact CD1-CZ 4.5Å; L72-F183 HydrophobicContact CD2-CD2 4.42Å; L72-F183 HydrophobicContact CD2-CE2 3.6Å; L72-F183 HydrophobicContact CD2-CZ 4.26Å; L72-L211 HydrophobicContact CB-CD1 3.78Å; L72-L211 HydrophobicContact CD2-CD1 3.63Å; L72-L211 HydrophobicContact CG-CD1 3.58Å; L72-D212 PolarHBondContact O-N 3.48Å; L72-Y268 HydrophobicContact CB-CD1 4.23Å; L72-Y268 HydrophobicContact CB-CD2 4.33Å; L72-Y268 HydrophobicContact CB-CE1 3.93Å; L72-Y268 HydrophobicContact CB-CE2 4.03Å; L72-Y268 HydrophobicContact CB-CG 4.42Å; L72-Y268 HydrophobicContact CD2-CD2 4.13Å; L72-Y268 HydrophobicContact CD2-CG 4.13Å
73	Q	95.7	Very high	93.9	Very high	18 Å²	18	43.5 Å²	43.5	8%	0.084	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.3	171.9	-178.7	-171.5	61.6	0	0	108.4	C91 W92 M94 D212 D215	Q73-C91 CarbonylContact O-C 3.56Å; Q73-C91 WeakPolarHBondContact O-CA 3.38Å; Q73-C91 VanDerWaalsContact O-CB 3.31Å; Q73-C91 WeakPolarHBondContact O-CB 3.33Å; Q73-W92 HydrophobicContact CB-CB 4.32Å; Q73-W92 PolarHBondContact N-O 3.18Å; Q73-W92 PolarHBondContact O-N 3.27Å; Q73-M94 HydrophobicContact CB-CE 4.08Å; Q73-D212 CarbonylContact C-O 3.53Å; Q73-D212 WeakPolarHBondContact CA-O 3.49Å; Q73-D212 HydrophobicContact CB-CB 3.99Å; Q73-D212 HydrophobicContact CG-CB 3.95Å; Q73-D212 WeakPolarHBondContact CG-OD2 3.4Å; Q73-D212 PolarHBondContact NE2-OD2 3.15Å; Q73-D215 PolarHBondContact NE2-OD2 3.26Å
74	L	96	Very high	93.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.1	177.5	-178.8	64.7	0	0	0	109.8	I77 T89 L211 D212 F213 Y216	L74-I77 HydrophobicContact CD1-CG1 4.47Å; L74-I77 HydrophobicContact CD2-CD1 4.36Å; L74-I77 HydrophobicContact CD2-CG1 3.91Å; L74-T89 HydrophobicContact CD1-CG2 3.66Å; L74-L211 HydrophobicContact CB-CD1 4.23Å; L74-L211 HydrophobicContact CB-CD2 3.75Å; L74-L211 HydrophobicContact CB-CG 3.92Å; L74-L211 HydrophobicContact CD2-CD2 3.86Å; L74-L211 HydrophobicContact CG-CD2 4.37Å; L74-D212 PolarHBondContact N-O 2.89Å; L74-F213 HydrophobicContact CD2-CD1 4.38Å; L74-F213 HydrophobicContact CD2-CE1 3.69Å; L74-F213 HydrophobicContact CD2-CZ 4.07Å; L74-Y216 HydrophobicContact CD2-CD2 4.07Å; L74-Y216 HydrophobicContact CD2-CE2 3.8Å; L74-Y216 HydrophobicContact CG-CD2 3.95Å; L74-Y216 HydrophobicContact CG-CE2 4.01Å
75	F	94.1	Very high	93.6	Very high	66 Å²	66	40.1 Å²	40.1	29%	0.289	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-42.8	174.8	-176.2	-97.9	0	0	0	111	N90 D215 V217	F75-N90 WeakPolarHBondContact CB-O 3.46Å; F75-N90 PolarHBondContact N-O 3.4Å; F75-D215 HydrophobicContact CD2-CB 4.27Å; F75-D215 WeakPolarHBondContact CD2-O 3.34Å; F75-V217 HydrophobicContact CE1-CG2 4.15Å; F75-V217 HydrophobicContact CE2-CG2 4.43Å; F75-V217 HydrophobicContact CZ-CG2 4.02Å; F75-V217 PolarHBondContact O-N 3.45Å
76	Q	95.3	Very high	93.6	Very high	63 Å²	63	37.2 Å²	37.2	29%	0.294	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	140.3	-179.3	-164.6	-176.4	2.1	0	0	112.3	L78 N90 V217	Q76-L78 HydrophobicContact CG-CD2 4.32Å; Q76-N90 HydrophobicContact CB-CB 4.3Å; Q76-N90 PolarHBondContact N-O 3.12Å; Q76-N90 VanDerWaalsContact N-O 3.11Å; Q76-N90 PolarHBondContact O-N 3.47Å; Q76-V217 HydrophobicContact CG-CB 4.36Å
77	I	95.8	Very high	93.6	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	119.3	159.5	-59.7	179	0	0	0	107.5	L74 L87 T89 Y216 W222 T224 L272	L74-I77 HydrophobicContact CD1-CG1 4.47Å; L74-I77 HydrophobicContact CD2-CD1 4.36Å; L74-I77 HydrophobicContact CD2-CG1 3.91Å; I77-L87 HydrophobicContact CG2-CD1 4.15Å; I77-T89 HydrophobicContact CG1-CG2 4.49Å; I77-Y216 HydrophobicContact CG1-CE2 4.19Å; I77-W222 HydrophobicContact CD1-CB 4.46Å; I77-T224 HydrophobicContact CD1-CG2 3.64Å; I77-L272 HydrophobicContact CD1-CD2 3.35Å
78	L	93.3	Very high	93.5	Very high	81 Å²	81	37.2 Å²	37.2	42%	0.424	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-41.5	-177.3	-66	171.4	0	0	0	112.1	Q76 R88 N90 L160	Q76-L78 HydrophobicContact CG-CD2 4.32Å; L78-R88 HydrophobicContact CB-CB 4.3Å; L78-R88 PolarHBondContact N-O 2.89Å; L78-N90 HydrophobicContact CD1-CB 4.19Å; L78-N90 HydrophobicContact CG-CB 4.34Å; L78-L160 HydrophobicContact CD1-CD1 3.4Å
79	D	92.9	Very high	93.5	Very high	53 Å²	53	37.2 Å²	37.2	28%	0.283	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	148.1	-170.7	-164.1	-1	0	0	0	109.8	R88	D79-R88 HydrophobicContact CB-CB 4.13Å; D79-R88 HydrophobicContact CB-CG 4.14Å; D79-R88 PolarHBondContact O-N 3.23Å; D79-R88 IonicContact OD2-CZ 2.74Å; D79-R88 IonicContact OD2-NE 2.7Å; D79-R88 IonicContact OD2-NH1 3.98Å; D79-R88 PolarHBondContact OD2-NH1 3.18Å; D79-R88 IonicContact OD2-NH2 2.71Å; D79-R88 PolarHBondContact OD2-NH2 2.86Å
80	L	93	Very high	93.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	94.9	161.6	176.5	64.7	0	0	0	106.8	E82 L87 C165 V167 Q177 W222 L272	L80-E82 HydrophobicContact CG-CG 4.35Å; L80-E82 PolarHBondContact O-N 2.94Å; L80-E82 VanDerWaalsContact O-OE2 3.05Å; L80-L87 HydrophobicContact CB-CD1 4.39Å; L80-L87 HydrophobicContact CD1-CB 3.76Å; L80-L87 HydrophobicContact CD1-CD1 4.2Å; L80-C165 HydrophobicContact CD1-CB 4.34Å; L80-V167 HydrophobicContact CD1-CG2 4.42Å; L80-V167 HydrophobicContact CD2-CG2 4.37Å; L80-Q177 HydrophobicContact CD2-CB 4.45Å; L80-Q177 HydrophobicContact CD2-CG 4.09Å; L80-W222 HydrophobicContact CB-CZ2 4.09Å; L80-W222 HydrophobicContact CD2-CH2 3.73Å; L80-W222 HydrophobicContact CD2-CZ2 3.67Å; L80-W222 HydrophobicContact CD2-CZ3 4.38Å; L80-W222 HydrophobicContact CG-CZ2 4.36Å; L80-L272 HydrophobicContact CD2-CD1 4.24Å
81	D	90.7	Very high	93.3	Very high	17 Å²	17	34 Å²	34	9%	0.091	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	85.2	-178.5	-172.4	-25.1	0	0	0	108.1	N83 K84 Q85 I86 R88	D81-N83 PolarHBondContact O-N 3.36Å; D81-K84 CarbonylContact O-C 3.57Å; D81-K84 PolarHBondContact O-N 2.98Å; D81-K84 VanDerWaalsContact O-N 3.11Å; D81-K84 WeakPolarHBondContact OD1-CG 3.48Å; D81-K84 PolarHBondContact OD1-N 2.93Å; D81-K84 IonicContact OD1-NZ 3.47Å; D81-K84 PolarHBondContact OD1-NZ 2.89Å; D81-K84 WeakPolarHBondContact OD2-CD 3.25Å; D81-K84 IonicContact OD2-NZ 3.84Å; D81-K84 PolarHBondContact OD2-NZ 3.2Å; D81-Q85 WeakPolarHBondContact O-CA 3.48Å; D81-Q85 PolarHBondContact O-N 3.13Å; D81-I86 HydrophobicContact CB-CB 4.34Å; D81-I86 PolarHBondContact N-O 3.25Å; D81-I86 PolarHBondContact O-N 2.79Å; D81-R88 IonicContact OD2-CZ 3.21Å; D81-R88 IonicContact OD2-NH2 2.62Å; D81-R88 PolarHBondContact OD2-NH2 2.65Å
82	E	87.7	Confident	93.3	Very high	23 Å²	23	37.9 Å²	37.9	11%	0.107	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-62.6	-37.8	-174.4	-53.7	93.3	154.5	0	0	110.8	L80 K84 Q85 V167 R274 P330	L80-E82 HydrophobicContact CG-CG 4.35Å; L80-E82 PolarHBondContact O-N 2.94Å; L80-E82 VanDerWaalsContact O-OE2 3.05Å; E82-K84 PolarHBondContact O-N 3.34Å; E82-K84 VanDerWaalsContact O-N 3.13Å; E82-Q85 PolarHBondContact O-N 3.23Å; E82-V167 HydrophobicContact CB-CB 4.49Å; E82-V167 HydrophobicContact CB-CG1 4.14Å; E82-V167 HydrophobicContact CB-CG2 4.24Å; E82-V167 HydrophobicContact CG-CG1 3.86Å; E82-V167 HydrophobicContact CG-CG2 4.2Å; E82-R274 IonicContact OE1-CZ 3.51Å; E82-R274 IonicContact OE1-NH1 2.85Å; E82-R274 PolarHBondContact OE1-NH1 2.84Å; E82-R274 IonicContact OE1-NH2 3.29Å; E82-R274 PolarHBondContact OE1-NH2 3.21Å; E82-P330 HydrophobicContact CB-CG 4.02Å; E82-P330 WeakPolarHBondContact O-CB 3.47Å; E82-P330 WeakPolarHBondContact O-CG 3.47Å
83	N	83.8	Confident	93.3	Very high	76 Å²	76	37.9 Å²	37.9	41%	0.406	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-55.9	-27.5	176.7	-74.3	-11.4	0	0	0	113.3	D81 E327 T329 P330	D81-N83 PolarHBondContact O-N 3.36Å; N83-E327 PolarHBondContact ND2-O 3.17Å; N83-T329 PolarHBondContact OD1-O 3.14Å; N83-P330 WeakPolarHBondContact OD1-CA 3.32Å
84	K	87	Confident	93.3	Very high	133 Å²	133	38.1 Å²	38.1	58%	0.578	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-111.3	-2.2	173.5	-60.1	-178.4	-153.6	70.9	0	114	D81 E82 I86	D81-K84 CarbonylContact O-C 3.57Å; D81-K84 PolarHBondContact O-N 2.98Å; D81-K84 VanDerWaalsContact O-N 3.11Å; D81-K84 WeakPolarHBondContact OD1-CG 3.48Å; D81-K84 PolarHBondContact OD1-N 2.93Å; D81-K84 IonicContact OD1-NZ 3.47Å; D81-K84 PolarHBondContact OD1-NZ 2.89Å; D81-K84 WeakPolarHBondContact OD2-CD 3.25Å; D81-K84 IonicContact OD2-NZ 3.84Å; D81-K84 PolarHBondContact OD2-NZ 3.2Å; E82-K84 PolarHBondContact O-N 3.34Å; E82-K84 VanDerWaalsContact O-N 3.13Å; K84-I86 HydrophobicContact CB-CD1 3.9Å; K84-I86 HydrophobicContact CB-CG1 3.96Å; K84-I86 WeakPolarHBondContact O-CG1 3.46Å
85	Q	90.4	Very high	93.4	Very high	62 Å²	62	38.1 Å²	38.1	29%	0.29	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	42.3	-173.2	-64	-178.5	-5.9	0	0	113.4	D81 E82 T164 C165 A332	D81-Q85 WeakPolarHBondContact O-CA 3.48Å; D81-Q85 PolarHBondContact O-N 3.13Å; E82-Q85 PolarHBondContact O-N 3.23Å; Q85-T164 WeakPolarHBondContact O-CA 3.4Å; Q85-C165 WeakPolarHBondContact CB-O 3.45Å; Q85-C165 PolarHBondContact O-N 3.1Å; Q85-A332 PolarHBondContact NE2-O 3.2Å
86	I	93.1	Very high	93.5	Very high	26 Å²	26	36.9 Å²	36.9	13%	0.133	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112	-176.3	-57	178.1	0	0	0	112.2	D81 K84 R88 A133 K162 S163	D81-I86 HydrophobicContact CB-CB 4.34Å; D81-I86 PolarHBondContact N-O 3.25Å; D81-I86 PolarHBondContact O-N 2.79Å; K84-I86 HydrophobicContact CB-CD1 3.9Å; K84-I86 HydrophobicContact CB-CG1 3.96Å; K84-I86 WeakPolarHBondContact O-CG1 3.46Å; I86-R88 HydrophobicContact CG2-CG 4.12Å; I86-A133 HydrophobicContact CD1-CB 3.95Å; I86-A133 HydrophobicContact CG1-CB 3.84Å; I86-A133 HydrophobicContact CG2-CB 4.07Å; I86-K162 HydrophobicContact CG2-CB 3.81Å; I86-K162 HydrophobicContact CG2-CD 4.44Å; I86-K162 HydrophobicContact CG2-CG 4.39Å; I86-S163 WeakPolarHBondContact CA-O 3.42Å
87	L	95.2	Very high	93.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130	166.6	174.8	64	0	0	0	110.2	I77 L80 T89 K162 S163 C165 C179 I270 L272	I77-L87 HydrophobicContact CG2-CD1 4.15Å; L80-L87 HydrophobicContact CB-CD1 4.39Å; L80-L87 HydrophobicContact CD1-CB 3.76Å; L80-L87 HydrophobicContact CD1-CD1 4.2Å; L87-T89 HydrophobicContact CD1-CG2 4.18Å; L87-T89 HydrophobicContact CD2-CG2 4.08Å; L87-T89 HydrophobicContact CG-CG2 4Å; L87-K162 WeakPolarHBondContact O-CA 3.1Å; L87-S163 PolarHBondContact N-O 3.15Å; L87-S163 PolarHBondContact O-N 2.98Å; L87-S163 PolarHBondContact O-OG 2.88Å; L87-C165 HydrophobicContact CB-CB 4.21Å; L87-C179 HydrophobicContact CD2-CB 3.52Å; L87-I270 HydrophobicContact CD2-CD1 4.5Å; L87-L272 HydrophobicContact CD1-CD1 4.02Å
88	R	95.3	Very high	93.6	Very high	71 Å²	71	37.9 Å²	37.9	27%	0.268	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.2	175.8	-49.4	-167.6	-163.5	131.7	14	111.3	L78 D79 D81 I86 F161 K162	L78-R88 HydrophobicContact CB-CB 4.3Å; L78-R88 PolarHBondContact N-O 2.89Å; D79-R88 HydrophobicContact CB-CB 4.13Å; D79-R88 HydrophobicContact CB-CG 4.14Å; D79-R88 PolarHBondContact O-N 3.23Å; D79-R88 IonicContact OD2-CZ 2.74Å; D79-R88 IonicContact OD2-NE 2.7Å; D79-R88 IonicContact OD2-NH1 3.98Å; D79-R88 PolarHBondContact OD2-NH1 3.18Å; D79-R88 IonicContact OD2-NH2 2.71Å; D79-R88 PolarHBondContact OD2-NH2 2.86Å; D81-R88 IonicContact OD2-CZ 3.21Å; D81-R88 IonicContact OD2-NH2 2.62Å; D81-R88 PolarHBondContact OD2-NH2 2.65Å; I86-R88 HydrophobicContact CG2-CG 4.12Å; R88-F161 WeakPolarHBondContact CA-O 3.48Å; R88-K162 HydrophobicContact CG-CG 4.18Å
89	T	95.7	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.3	-178	49.4	0	0	0	0	112.2	L74 I77 L87 F161	L74-T89 HydrophobicContact CD1-CG2 3.66Å; I77-T89 HydrophobicContact CG1-CG2 4.49Å; L87-T89 HydrophobicContact CD1-CG2 4.18Å; L87-T89 HydrophobicContact CD2-CG2 4.08Å; L87-T89 HydrophobicContact CG-CG2 4Å; T89-F161 PolarHBondContact N-O 2.7Å; T89-F161 PolarHBondContact O-N 2.96Å
90	N	95.4	Very high	93.5	Very high	20 Å²	20	33.1 Å²	33.1	11%	0.107	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.8	168	-174.3	12.6	0	0	0	107.9	F75 Q76 L78 Q158	F75-N90 WeakPolarHBondContact CB-O 3.46Å; F75-N90 PolarHBondContact N-O 3.4Å; Q76-N90 HydrophobicContact CB-CB 4.3Å; Q76-N90 PolarHBondContact N-O 3.12Å; Q76-N90 VanDerWaalsContact N-O 3.11Å; Q76-N90 PolarHBondContact O-N 3.47Å; L78-N90 HydrophobicContact CD1-CB 4.19Å; L78-N90 HydrophobicContact CG-CB 4.34Å; N90-Q158 PolarHBondContact ND2-NE2 2.92Å; N90-Q158 VanDerWaalsContact OD1-CG 3.29Å; N90-Q158 WeakPolarHBondContact OD1-CG 3.41Å; N90-Q158 PolarHBondContact OD1-NE2 3.4Å
91	C	96.7	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	158	-172.6	-61.8	0	0	0	0	111.7	L72 Q73 Q158 A159 F161	L72-C91 HydrophobicContact CD1-CB 3.63Å; L72-C91 HydrophobicContact CG-CB 4.28Å; Q73-C91 CarbonylContact O-C 3.56Å; Q73-C91 WeakPolarHBondContact O-CA 3.38Å; Q73-C91 VanDerWaalsContact O-CB 3.31Å; Q73-C91 WeakPolarHBondContact O-CB 3.33Å; C91-Q158 CarbonylContact O-C 3.58Å; C91-Q158 WeakPolarHBondContact O-CA 3.29Å; C91-A159 PolarHBondContact N-O 3.34Å; C91-A159 PolarHBondContact O-N 3.39Å; C91-F161 HydrophobicContact CB-CD2 4.12Å; C91-F161 HydrophobicContact CB-CE2 4.18Å
92	W	96	Very high	93.5	Very high	83 Å²	83	33.8 Å²	33.8	31%	0.314	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.7	158.6	-59	97.8	0	0	0	108.6	Q73 V156 Q158	Q73-W92 HydrophobicContact CB-CB 4.32Å; Q73-W92 PolarHBondContact N-O 3.18Å; Q73-W92 PolarHBondContact O-N 3.27Å; W92-V156 HydrophobicContact CB-CG1 3.92Å; W92-V156 HydrophobicContact CE3-CG1 4.08Å; W92-V156 HydrophobicContact CG-CG1 4.5Å; W92-Q158 HydrophobicContact CD2-CB 4.33Å; W92-Q158 HydrophobicContact CE3-CB 3.78Å; W92-Q158 HydrophobicContact CH2-CB 4.12Å; W92-Q158 HydrophobicContact CZ3-CB 3.68Å
93	S	96.2	Very high	93.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	114.6	170.7	-67	0	0	0	0	108.4	Y70 Y95 H140 V156 P157 F161	Y70-S93 PolarHBondContact OH-OG 3.4Å; Y70-S93 VanDerWaalsContact OH-OG 3.1Å; S93-Y95 VanDerWaalsContact CB-CE2 3.48Å; S93-Y95 WeakPolarHBondContact O-CD2 3.47Å; S93-H140 WeakPolarHBondContact CB-NE2 3.47Å; S93-H140 PolarHBondContact OG-NE2 3.2Å; S93-V156 WeakPolarHBondContact O-CA 3.47Å; S93-P157 PolarHBondContact N-O 2.91Å; S93-P157 VanDerWaalsContact N-O 3.07Å; S93-P157 VanDerWaalsContact O-CD 3.3Å; S93-P157 WeakPolarHBondContact O-CD 3.5Å; S93-F161 WeakPolarHBondContact OG-CZ 3.41Å
94	M	96.4	Very high	94.3	Very high	22 Å²	22	36.3 Å²	36.3	11%	0.108	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.2	-177.6	-62	-178.7	-72.6	0	0	109.9	Y70 G71 Q73 V156 W198	Y70-M94 CarbonylContact C-O 3.54Å; Y70-M94 WeakPolarHBondContact CA-O 3.4Å; G71-M94 PolarHBondContact N-O 2.91Å; G71-M94 PolarHBondContact O-N 3.42Å; Q73-M94 HydrophobicContact CB-CE 4.08Å; M94-V156 HydrophobicContact CG-CG1 3.91Å; M94-V156 HydrophobicContact CG-CG2 4.27Å; M94-W198 HydrophobicContact CB-CD2 4.21Å; M94-W198 HydrophobicContact CB-CE3 3.78Å; M94-W198 HydrophobicContact CB-CH2 3.96Å; M94-W198 HydrophobicContact CB-CZ2 4.37Å; M94-W198 HydrophobicContact CB-CZ3 3.63Å; M94-W198 HydrophobicContact CE-CD2 4.47Å; M94-W198 HydrophobicContact CE-CG 4.43Å; M94-W198 HydrophobicContact SD-CZ2 4.36Å
95	Y	97.1	Very high	94.7	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.8	178.8	-60.4	-103.7	0	0	0	110	V68 Y70 S93 P125 I127 H140 W155 P157	V68-Y95 HydrophobicContact CG1-CD1 4.43Å; Y70-Y95 AromaticContact CD2-CD1 3.89Å; Y70-Y95 HydrophobicContact CD2-CD1 3.89Å; Y70-Y95 AromaticContact CD2-CE1 3.81Å; Y70-Y95 HydrophobicContact CD2-CE1 3.81Å; Y70-Y95 HydrophobicContact CD2-CG 4.31Å; Y70-Y95 HydrophobicContact CE2-CD1 4.26Å; Y70-Y95 HydrophobicContact CE2-CD2 4.46Å; Y70-Y95 AromaticContact CE2-CE1 3.81Å; Y70-Y95 HydrophobicContact CE2-CE1 3.81Å; Y70-Y95 HydrophobicContact CE2-CE2 4.02Å; Y70-Y95 AromaticContact CE2-CZ 3.65Å; S93-Y95 VanDerWaalsContact CB-CE2 3.48Å; S93-Y95 WeakPolarHBondContact O-CD2 3.47Å; Y95-P125 HydrophobicContact CD1-CG 3.73Å; Y95-P125 HydrophobicContact CE1-CG 4.18Å; Y95-I127 HydrophobicContact CD1-CD1 4.19Å; Y95-I127 HydrophobicContact CE1-CB 3.98Å; Y95-I127 HydrophobicContact CE1-CD1 3.98Å; Y95-I127 HydrophobicContact CE1-CG1 4.19Å; Y95-H140 AromaticContact CE2-NE2 3.92Å; Y95-H140 PolarHBondContact OH-CE1 3.44Å; Y95-H140 VanDerWaalsContact OH-CE1 3.29Å; Y95-H140 PolarHBondContact OH-NE2 2.94Å; Y95-W155 HydrophobicContact CD1-CE3 4.41Å; Y95-W155 HydrophobicContact CD2-CD2 4.31Å; Y95-W155 AromaticContact CD2-CE3 3.61Å; Y95-W155 HydrophobicContact CD2-CE3 3.61Å; Y95-W155 HydrophobicContact CD2-CZ3 4.2Å; Y95-W155 HydrophobicContact CE1-CZ3 4.43Å; Y95-W155 AromaticContact CE2-CE3 3.78Å; Y95-W155 HydrophobicContact CE2-CE3 3.78Å; Y95-W155 AromaticContact CE2-CZ3 3.91Å; Y95-W155 HydrophobicContact CE2-CZ3 3.91Å; Y95-W155 AromaticContact CG-CE3 3.95Å; Y95-W155 HydrophobicContact CG-CE3 3.95Å; Y95-W155 PolarHBondContact N-O 3.17Å; Y95-W155 PolarHBondContact O-N 2.97Å; Y95-P157 HydrophobicContact CD2-CG 4.36Å; Y95-P157 HydrophobicContact CE2-CG 3.95Å
96	K	97.2	Very high	94.9	Very high	39 Å²	39	33.3 Å²	33.3	17%	0.17	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	116.1	175.7	180	163.4	178.3	151.2	0	110.7	R69 E152 M153 W198 D201	R69-K96 HydrophobicContact CB-CB 4.23Å; R69-K96 PolarHBondContact N-O 3.44Å; R69-K96 PolarHBondContact O-N 2.85Å; K96-E152 WeakPolarHBondContact CE-OE1 3.44Å; K96-E152 IonicContact NZ-OE1 2.75Å; K96-E152 PolarHBondContact NZ-OE1 3.41Å; K96-M153 VanDerWaalsContact CA-O 3.3Å; K96-M153 WeakPolarHBondContact CA-O 3.35Å; K96-W198 HydrophobicContact CB-CE3 4.41Å; K96-W198 HydrophobicContact CB-CH2 3.8Å; K96-W198 HydrophobicContact CB-CZ3 3.46Å; K96-W198 VanDerWaalsContact CB-CZ3 3.46Å; K96-W198 HydrophobicContact CD-CH2 4.06Å; K96-W198 HydrophobicContact CD-CZ3 4.41Å; K96-D201 IonicContact NZ-OD1 3.3Å
97	W	96.4	Very high	94.9	Very high	6 Å²	6	35.6 Å²	35.6	2%	0.023	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	179.1	179.6	75.4	99.6	0	0	0	110.7	V68 W123 T124 P125 V145 M153 W155	V68-W97 HydrophobicContact CG2-CB 4.14Å; W97-W123 AromaticContact CD1-CZ3 3.83Å; W97-W123 HydrophobicContact CG-CZ3 4.37Å; W97-W123 AromaticContact NE1-CE3 3.74Å; W97-W123 AromaticContact NE1-CZ3 3.71Å; W97-T124 HydrophobicContact CH2-CG2 4.16Å; W97-T124 HydrophobicContact CZ2-CG2 4.35Å; W97-P125 HydrophobicContact CE3-CG 4.34Å; W97-P125 HydrophobicContact CZ3-CG 4.48Å; W97-V145 HydrophobicContact CH2-CG1 4.08Å; W97-V145 HydrophobicContact CH2-CG2 4.48Å; W97-M153 HydrophobicContact CD2-CB 3.53Å; W97-M153 HydrophobicContact CD2-CG 4.14Å; W97-M153 VanDerWaalsContact CE2-CB 3.49Å; W97-M153 HydrophobicContact CE3-CB 3.85Å; W97-M153 HydrophobicContact CG-CB 4.01Å; W97-M153 HydrophobicContact CG-CG 4.31Å; W97-M153 HydrophobicContact CH2-CB 4.1Å; W97-M153 HydrophobicContact CZ2-CB 3.8Å; W97-M153 HydrophobicContact CZ2-CE 3.87Å; W97-M153 HydrophobicContact CZ2-CG 4.15Å; W97-M153 HydrophobicContact CZ3-CB 4.11Å; W97-M153 PolarHBondContact N-O 3.2Å; W97-M153 WeakPolarHBondContact O-CB 3.42Å; W97-M153 PolarHBondContact O-N 3.33Å; W97-W155 HydrophobicContact CH2-CB 4.14Å; W97-W155 HydrophobicContact CZ3-CB 3.89Å
98	T	95.9	Very high	94.7	Very high	82 Å²	82	40.7 Å²	40.7	50%	0.503	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.3	174	58	0	0	0	0	111.7	G151	T98-G151 CarbonylContact C-O 3.51Å; T98-G151 WeakPolarHBondContact CA-O 3.34Å
99	D	94.5	Very high	94.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.			trans	-119.5	122.9	175.8	-173.1	-52.1	0	0	0	109.3	Y49 P58 L101 L102 G151 M153	Y49-D99 VanDerWaalsContact CE2-OD2 3.23Å; Y49-D99 WeakPolarHBondContact CE2-OD2 3.13Å; Y49-D99 PolarHBondContact OH-OD2 3.45Å; P58-D99 HydrophobicContact CB-CB 4.09Å; P58-D99 VanDerWaalsContact CB-CG 3.45Å; P58-D99 WeakPolarHBondContact CB-OD2 3.43Å; P58-D99 HydrophobicContact CG-CB 4.36Å; D99-L101 WeakPolarHBondContact OD1-CA 3.43Å; D99-L101 WeakPolarHBondContact OD1-CB 3.38Å; D99-L101 PolarHBondContact OD1-N 2.89Å; D99-L102 HydrophobicContact CB-CB 4.34Å; D99-L102 HydrophobicContact CB-CD1 4.16Å; D99-L102 HydrophobicContact CB-CG 4.46Å; D99-L102 PolarHBondContact OD1-N 2.91Å; D99-L102 VanDerWaalsContact OD1-N 3.09Å; D99-G151 PolarHBondContact N-O 2.9Å; D99-G151 WeakPolarHBondContact O-CA 3.12Å; D99-M153 HydrophobicContact CB-CE 4.44Å; D99-M153 HydrophobicContact CB-CG 3.83Å; D99-M153 HydrophobicContact CB-SD 3.96Å
100	S	90.4	Very high	94.1	Very high	34 Å²	34	42.6 Å²	42.6	24%	0.238	23%	0.228	C	C	.	.	S	Bend	trans	-76.5	-26.2	-178.2	57.2	0	0	0	0	113.5	N60	N60-S100 VanDerWaalsContact OD1-CB 3.28Å; N60-S100 WeakPolarHBondContact OD1-CB 3.4Å; N60-S100 PolarHBondContact OD1-OG 3.29Å
101	L	89.8	Confident	93.9	Very high	32 Å²	32	46.9 Å²	46.9	17%	0.168	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-30.7	-177.5	-58.1	175.3	0	0	0	111.1	R48 Y49 F52 D99 R103	R48-L101 WeakPolarHBondContact CD-O 3.49Å; R48-L101 PolarHBondContact NH1-O 3.44Å; Y49-L101 HydrophobicContact CD2-CB 3.95Å; Y49-L101 HydrophobicContact CD2-CD1 4.16Å; Y49-L101 HydrophobicContact CE2-CB 3.9Å; Y49-L101 HydrophobicContact CE2-CD1 3.94Å; F52-L101 HydrophobicContact CB-CD1 3.95Å; F52-L101 HydrophobicContact CB-CD2 4.07Å; F52-L101 HydrophobicContact CD1-CD2 4.36Å; F52-L101 HydrophobicContact CD2-CD2 4Å; F52-L101 HydrophobicContact CG-CD2 3.88Å; D99-L101 WeakPolarHBondContact OD1-CA 3.43Å; D99-L101 WeakPolarHBondContact OD1-CB 3.38Å; D99-L101 PolarHBondContact OD1-N 2.89Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 2.9Å
102	L	93.4	Very high	93.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	15.8	-176.1	-66.1	171	0	0	0	114.9	L45 Y49 D99 W104 I117 I122 V147 M153	L45-L102 HydrophobicContact CB-CD2 4.1Å; Y49-L102 HydrophobicContact CD2-CD1 4.31Å; Y49-L102 HydrophobicContact CD2-CD2 3.64Å; Y49-L102 HydrophobicContact CD2-CG 3.8Å; Y49-L102 HydrophobicContact CE2-CD1 3.85Å; Y49-L102 HydrophobicContact CE2-CD2 4.03Å; Y49-L102 HydrophobicContact CE2-CG 3.66Å; D99-L102 HydrophobicContact CB-CB 4.34Å; D99-L102 HydrophobicContact CB-CD1 4.16Å; D99-L102 HydrophobicContact CB-CG 4.46Å; D99-L102 PolarHBondContact OD1-N 2.91Å; D99-L102 VanDerWaalsContact OD1-N 3.09Å; L102-W104 WeakPolarHBondContact O-CZ3 3.4Å; L102-I117 HydrophobicContact CD2-CD1 4.34Å; L102-I122 HydrophobicContact CD1-CB 4.38Å; L102-I122 HydrophobicContact CD1-CD1 4.41Å; L102-I122 HydrophobicContact CD1-CG2 3.88Å; L102-I122 HydrophobicContact CD2-CG2 4.24Å; L102-V147 HydrophobicContact CB-CG1 3.99Å; L102-M153 HydrophobicContact CD1-CE 3.34Å; L102-M153 HydrophobicContact CD1-SD 3.78Å
103	R	94.2	Very high	93.7	Very high	129 Å²	129	50.6 Å²	50.6	49%	0.487	27%	0.27	S	S	.	.			trans	-78.5	143.7	177.6	-69.6	-179.5	165.1	173.8	-2.8	113.7	R48 L101 S149 N150	R48-R103 PolarHBondContact NH1-O 3.24Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 2.9Å; R103-S149 WeakPolarHBondContact CA-O 3.46Å; R103-N150 PolarHBondContact NE-O 3.05Å; R103-N150 PolarHBondContact NH2-O 3.2Å; R103-N150 VanDerWaalsContact NH2-O 3.17Å
104	W	94.7	Very high	93.7	Very high	22 Å²	22	53.2 Å²	53.2	8%	0.083	29%	0.286	C	S	.	.			trans	-145.7	162.5	167.6	70.3	95.6	0	0	0	111.7	L41 L45 L102 Y109 I112 V115 V147 S148 S149	L41-W104 HydrophobicContact CD1-CB 3.93Å; L41-W104 HydrophobicContact CD1-CD2 3.87Å; L41-W104 HydrophobicContact CD1-CE3 4.37Å; L41-W104 HydrophobicContact CD1-CG 3.63Å; L41-W104 HydrophobicContact CD2-CD2 4.12Å; L41-W104 HydrophobicContact CD2-CG 4.31Å; L41-W104 HydrophobicContact CD2-CZ2 4.15Å; L45-W104 HydrophobicContact CD1-CE3 3.73Å; L45-W104 HydrophobicContact CD1-CZ3 3.88Å; L45-W104 HydrophobicContact CD2-CE3 4.09Å; L102-W104 WeakPolarHBondContact O-CZ3 3.4Å; W104-Y109 HydrophobicContact CB-CD2 4.39Å; W104-Y109 HydrophobicContact CB-CE2 4.37Å; W104-Y109 AromaticContact CD1-CD2 3.94Å; W104-Y109 HydrophobicContact CG-CD2 4.43Å; W104-I112 WeakPolarHBondContact CZ2-O 3.23Å; W104-I112 PolarHBondContact NE1-O 2.91Å; W104-V115 HydrophobicContact CH2-CG1 4.28Å; W104-V115 HydrophobicContact CH2-CG2 3.85Å; W104-V115 HydrophobicContact CZ2-CG1 4.27Å; W104-V115 HydrophobicContact CZ3-CG2 4.11Å; W104-V147 HydrophobicContact CH2-CG1 4.27Å; W104-V147 HydrophobicContact CZ3-CG1 3.78Å; W104-S148 VanDerWaalsContact CH2-C 3.45Å; W104-S149 PolarHBondContact N-O 3.43Å
105	N	95.2	Very high	93.7	Very high	89 Å²	89	52.2 Å²	52.2	48%	0.476	28%	0.281	S	S	.	.			trans	-89	128.8	173.7	-179.5	27.6	0	0	0	109.8	S107 D108	N105-S107 PolarHBondContact ND2-OG 2.98Å; N105-S107 PolarHBondContact O-N 3.39Å; N105-D108 WeakPolarHBondContact CB-OD2 3.42Å; N105-D108 PolarHBondContact ND2-OD1 3.32Å; N105-D108 PolarHBondContact ND2-OD2 2.77Å; N105-D108 VanDerWaalsContact ND2-OD2 3.07Å; N105-D108 PolarHBondContact O-N 2.96Å
106	E	94.2	Very high	93.7	Very high	44 Å²	44	58.8 Å²	58.8	21%	0.206	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-64.7	-40.1	-170.4	-62.2	-171.9	167.2	0	0	112.4	D108 Y109 G110 D111 K113 S149	E106-D108 PolarHBondContact O-N 3.39Å; E106-Y109 PolarHBondContact O-N 3.42Å; E106-G110 PolarHBondContact O-N 2.95Å; E106-D111 WeakPolarHBondContact O-CA 3.38Å; E106-D111 PolarHBondContact O-N 3.4Å; E106-K113 WeakPolarHBondContact OE1-CB 3.45Å; E106-K113 WeakPolarHBondContact OE1-CG 3.27Å; E106-K113 WeakPolarHBondContact OE2-CE 3.39Å; E106-K113 IonicContact OE2-NZ 2.77Å; E106-K113 PolarHBondContact OE2-NZ 3.48Å; E106-S149 WeakPolarHBondContact OE1-CB 3.49Å; E106-S149 PolarHBondContact OE1-OG 2.89Å
107	S	92.8	Very high	93.6	Very high	73 Å²	73	57 Å²	57	51%	0.51	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-57.9	-35.6	-178.4	54.8	0	0	0	0	113.4	N105 Y109 G110	N105-S107 PolarHBondContact ND2-OG 2.98Å; N105-S107 PolarHBondContact O-N 3.39Å; S107-Y109 PolarHBondContact O-N 2.96Å; S107-G110 PolarHBondContact O-N 3.5Å
108	D	91.1	Very high	93.5	Very high	107 Å²	107	61.2 Å²	61.2	57%	0.572	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-76.8	-12.8	-169.7	-53	-9.2	0	0	0	111.8	N105 E106	N105-D108 WeakPolarHBondContact CB-OD2 3.42Å; N105-D108 PolarHBondContact ND2-OD1 3.32Å; N105-D108 PolarHBondContact ND2-OD2 2.77Å; N105-D108 VanDerWaalsContact ND2-OD2 3.07Å; N105-D108 PolarHBondContact O-N 2.96Å; E106-D108 PolarHBondContact O-N 3.39Å
109	Y	91.2	Very high	93.3	Very high	54 Å²	54	58.5 Å²	58.5	21%	0.212	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-125.9	18.9	-177.8	-65.2	-78.9	0	0	0	113.1	V37 L41 M44 W104 E106 S107 I112	V37-Y109 HydrophobicContact CG1-CD1 4.03Å; V37-Y109 WeakPolarHBondContact CG1-O 3.36Å; L41-Y109 HydrophobicContact CB-CD1 3.65Å; L41-Y109 HydrophobicContact CB-CE1 4.07Å; L41-Y109 HydrophobicContact CB-CG 4.07Å; L41-Y109 HydrophobicContact CD1-CD1 4.1Å; L41-Y109 HydrophobicContact CD1-CD2 3.84Å; L41-Y109 HydrophobicContact CD1-CE1 4.22Å; L41-Y109 HydrophobicContact CD1-CE2 3.96Å; L41-Y109 HydrophobicContact CD1-CG 3.91Å; L41-Y109 HydrophobicContact CD2-CG 4.23Å; L41-Y109 HydrophobicContact CG-CD1 4.33Å; L41-Y109 HydrophobicContact CG-CG 4.29Å; M44-Y109 HydrophobicContact CE-CE2 4.23Å; W104-Y109 HydrophobicContact CB-CD2 4.39Å; W104-Y109 HydrophobicContact CB-CE2 4.37Å; W104-Y109 AromaticContact CD1-CD2 3.94Å; W104-Y109 HydrophobicContact CG-CD2 4.43Å; E106-Y109 PolarHBondContact O-N 3.42Å; S107-Y109 PolarHBondContact O-N 2.96Å; Y109-I112 VanDerWaalsContact O-CD1 3.24Å; Y109-I112 WeakPolarHBondContact O-CD1 3.08Å; Y109-I112 WeakPolarHBondContact O-CG1 3.48Å
110	G	86.4	Confident	93.2	Very high	58 Å²	58	63.6 Å²	63.6	60%	0.598	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	47.7	176.2	0	0	0	0	0	113.1	E106 S107 I112	E106-G110 PolarHBondContact O-N 2.95Å; S107-G110 PolarHBondContact O-N 3.5Å; G110-I112 PolarHBondContact O-N 3.31Å; G110-I112 VanDerWaalsContact O-N 3.14Å
111	D	91.4	Very high	93.2	Very high	110 Å²	110	65.4 Å²	65.4	59%	0.588	34%	0.341	S	S	*	.	S	Bend	trans	58.7	24.4	174.9	-53.7	-40.6	0	0	0	115	E106 K113	E106-D111 WeakPolarHBondContact O-CA 3.38Å; E106-D111 PolarHBondContact O-N 3.4Å; D111-K113 WeakPolarHBondContact O-CG 3.48Å; D111-K113 PolarHBondContact O-N 3.01Å
112	I	93.3	Very high	93.4	Very high	37 Å²	37	64.2 Å²	64.2	19%	0.19	34%	0.335	C	S	.	.			trans	-68.3	103.5	173.2	-62.8	173.5	0	0	0	108.8	V37 E38 L41 W104 Y109 G110 T114 V115	V37-I112 HydrophobicContact CB-CD1 4.39Å; V37-I112 HydrophobicContact CG1-CD1 4.45Å; E38-I112 HydrophobicContact CB-CD1 3.82Å; E38-I112 HydrophobicContact CG-CD1 4.42Å; L41-I112 HydrophobicContact CD2-CB 4.16Å; L41-I112 HydrophobicContact CD2-CD1 4.48Å; L41-I112 HydrophobicContact CD2-CG2 3.84Å; W104-I112 WeakPolarHBondContact CZ2-O 3.23Å; W104-I112 PolarHBondContact NE1-O 2.91Å; Y109-I112 VanDerWaalsContact O-CD1 3.24Å; Y109-I112 WeakPolarHBondContact O-CD1 3.08Å; Y109-I112 WeakPolarHBondContact O-CG1 3.48Å; G110-I112 PolarHBondContact O-N 3.31Å; G110-I112 VanDerWaalsContact O-N 3.14Å; I112-T114 WeakPolarHBondContact CG2-O 3.43Å; I112-V115 HydrophobicContact CG2-CG1 3.86Å
113	K	95.3	Very high	93.4	Very high	124 Å²	124	65 Å²	65	54%	0.539	34%	0.338	S	S	.	.			trans	-82.2	-26	-179.3	-48.1	-160	175.5	-104.4	0	114.2	E106 D111 S148 S149	E106-K113 WeakPolarHBondContact OE1-CB 3.45Å; E106-K113 WeakPolarHBondContact OE1-CG 3.27Å; E106-K113 WeakPolarHBondContact OE2-CE 3.39Å; E106-K113 IonicContact OE2-NZ 2.77Å; E106-K113 PolarHBondContact OE2-NZ 3.48Å; D111-K113 WeakPolarHBondContact O-CG 3.48Å; D111-K113 PolarHBondContact O-N 3.01Å; K113-S148 CarbonylContact O-C 3.56Å; K113-S148 WeakPolarHBondContact O-CA 3.2Å; K113-S149 PolarHBondContact O-N 2.74Å
114	T	96.6	Very high	93.4	Very high	55 Å²	55	60.7 Å²	60.7	34%	0.337	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	144.7	-178.5	62.9	0	0	0	0	112.5	I112 V146 V147	I112-T114 WeakPolarHBondContact CG2-O 3.43Å; T114-V146 HydrophobicContact CG2-CG1 4.34Å; T114-V147 CarbonylContact C-O 3.59Å; T114-V147 WeakPolarHBondContact CA-O 3.35Å; T114-V147 WeakPolarHBondContact CB-O 3.32Å
115	V	96.4	Very high	93.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	167	170.1	-61.3	0	0	0	0	111.1	E38 L41 I42 L45 W104 I112 I117 V147	E38-V115 HydrophobicContact CG-CG1 4.26Å; L41-V115 HydrophobicContact CD2-CG1 3.59Å; L41-V115 HydrophobicContact CG-CG1 4.15Å; I42-V115 HydrophobicContact CD1-CB 4.15Å; I42-V115 HydrophobicContact CD1-CG1 4.43Å; I42-V115 HydrophobicContact CG1-CB 3.92Å; I42-V115 HydrophobicContact CG1-CG1 4.02Å; I42-V115 HydrophobicContact CG1-CG2 4.32Å; L45-V115 HydrophobicContact CD1-CG2 4.03Å; W104-V115 HydrophobicContact CH2-CG1 4.28Å; W104-V115 HydrophobicContact CH2-CG2 3.85Å; W104-V115 HydrophobicContact CZ2-CG1 4.27Å; W104-V115 HydrophobicContact CZ3-CG2 4.11Å; I112-V115 HydrophobicContact CG2-CG1 3.86Å; V115-I117 HydrophobicContact CG2-CD1 4.21Å; V115-I117 HydrophobicContact CG2-CG1 4.21Å; V115-V147 HydrophobicContact CG2-CB 3.92Å; V115-V147 HydrophobicContact CG2-CG1 4.46Å; V115-V147 PolarHBondContact N-O 3.49Å; V115-V147 PolarHBondContact O-N 3.02Å
116	R	96.3	Very high	93.3	Very high	139 Å²	139	57.2 Å²	57.2	53%	0.525	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.8	-179.1	-68.7	177	178.2	78.2	0.7	111.4	R144 V145 V146	R116-R144 HydrophobicContact CB-CB 4.4Å; R116-V145 WeakPolarHBondContact CA-O 3.38Å; R116-V146 HydrophobicContact CG-CG2 4.33Å
117	I	95.2	Very high	93.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150.3	-174.2	-56.7	-175	0	0	0	109.8	L46 L102 V115 Q121 I122 R144 V145 V147	L46-I117 HydrophobicContact CD2-CG2 3.93Å; L102-I117 HydrophobicContact CD2-CD1 4.34Å; V115-I117 HydrophobicContact CG2-CD1 4.21Å; V115-I117 HydrophobicContact CG2-CG1 4.21Å; I117-Q121 HydrophobicContact CG2-CB 4.24Å; I117-I122 HydrophobicContact CB-CD1 4.49Å; I117-I122 HydrophobicContact CG2-CD1 4.28Å; I117-I122 HydrophobicContact CG2-CG1 4.35Å; I117-I122 HydrophobicContact CG2-CG2 4Å; I117-R144 CarbonylContact O-C 3.33Å; I117-R144 WeakPolarHBondContact O-CA 3.37Å; I117-R144 WeakPolarHBondContact O-CB 3.44Å; I117-V145 PolarHBondContact N-O 3.28Å; I117-V145 PolarHBondContact O-N 3.21Å; I117-V147 HydrophobicContact CB-CG2 4.43Å; I117-V147 HydrophobicContact CD1-CG2 4.05Å; I117-V147 HydrophobicContact CG1-CG2 4.16Å
118	F	94.7	Very high	93.4	Very high	95 Å²	95	55.3 Å²	55.3	42%	0.417	29%	0.291	S	S	.	.			trans	-78.6	138.7	174.2	-71.7	-84.6	0	0	0	111.1	S120 Q121 R144	F118-S120 PolarHBondContact O-N 3.36Å; F118-Q121 HydrophobicContact CB-CG 4.21Å; F118-Q121 PolarHBondContact O-N 2.9Å; F118-R144 HydrophobicContact CD1-CG 3.92Å; F118-R144 HydrophobicContact CE1-CG 4.06Å; F118-R144 HydrophobicContact CG-CG 4.33Å; F118-R144 VanDerWaalsContact CZ-NE 3.31Å
119	P	93	Very high	93.5	Very high	26 Å²	26	50.3 Å²	50.3	17%	0.169	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.6	-176.5	27.7	-36.6	0	0	0	114.2	Q121 T124 A143 V145 W155	P119-Q121 VanDerWaalsContact C-N 3.33Å; P119-T124 HydrophobicContact CB-CG2 3.77Å; P119-A143 VanDerWaalsContact CD-O 3.25Å; P119-A143 WeakPolarHBondContact CD-O 3.49Å; P119-A143 WeakPolarHBondContact CG-O 3.41Å; P119-V145 HydrophobicContact CB-CG2 4.03Å; P119-W155 HydrophobicContact CB-CZ2 3.97Å; P119-W155 HydrophobicContact CG-CZ2 4.09Å
120	S	91	Very high	93.6	Very high	106 Å²	106	49.7 Å²	49.7	74%	0.741	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.1	173.5	52.5	0	0	0	0	114.5	F118	F118-S120 PolarHBondContact O-N 3.36Å
121	Q	92	Very high	94	Very high	73 Å²	73	47.7 Å²	47.7	34%	0.341	24%	0.238	S	C	.	.	S	Bend	trans	-109.1	-2.9	-175	-52.4	-173.6	-90.8	0	0	113.7	L46 I117 F118 P119	L46-Q121 HydrophobicContact CD2-CB 3.71Å; I117-Q121 HydrophobicContact CG2-CB 4.24Å; F118-Q121 HydrophobicContact CB-CG 4.21Å; F118-Q121 PolarHBondContact O-N 2.9Å; P119-Q121 VanDerWaalsContact C-N 3.33Å
122	I	93.4	Very high	94	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.031	23%	0.233	C	C	.	.	S	Bend	trans	-144.7	164.9	-172.9	51.6	167.4	0	0	0	109	L46 Y49 L102 I117 V145 M153	L46-I122 HydrophobicContact CD2-CG2 4.42Å; Y49-I122 HydrophobicContact CD1-CB 4.49Å; Y49-I122 HydrophobicContact CD1-CG2 4.25Å; Y49-I122 HydrophobicContact CD2-CG2 4.34Å; Y49-I122 HydrophobicContact CE1-CB 4.09Å; Y49-I122 HydrophobicContact CE1-CG2 4.28Å; Y49-I122 HydrophobicContact CE2-CG2 4.36Å; Y49-I122 HydrophobicContact CG-CG2 4.26Å; L102-I122 HydrophobicContact CD1-CB 4.38Å; L102-I122 HydrophobicContact CD1-CD1 4.41Å; L102-I122 HydrophobicContact CD1-CG2 3.88Å; L102-I122 HydrophobicContact CD2-CG2 4.24Å; I117-I122 HydrophobicContact CB-CD1 4.49Å; I117-I122 HydrophobicContact CG2-CD1 4.28Å; I117-I122 HydrophobicContact CG2-CG1 4.35Å; I117-I122 HydrophobicContact CG2-CG2 4Å; I122-V145 HydrophobicContact CD1-CB 4.03Å; I122-V145 HydrophobicContact CD1-CG1 4.3Å; I122-V145 HydrophobicContact CD1-CG2 3.9Å; I122-M153 HydrophobicContact CD1-CE 3.56Å
123	W	94	Very high	93.8	Very high	16 Å²	16	47.5 Å²	47.5	6%	0.061	24%	0.236	C	C	.	.			trans	-67.9	141.2	172.2	-179.5	88.5	0	0	0	110.7	Y49 G56 R57 P58 V66 W97 P125 Y188 M193	Y49-W123 HydrophobicContact CE1-CB 4.45Å; Y49-W123 VanDerWaalsContact OH-CB 3.32Å; Y49-W123 WeakPolarHBondContact OH-CB 3.26Å; Y49-W123 PolarHBondContact OH-N 2.82Å; Y49-W123 VanDerWaalsContact OH-N 3.11Å; G56-W123 VanDerWaalsContact O-CG 3.24Å; R57-W123 HydrophobicContact CG-CZ2 4.1Å; P58-W123 VanDerWaalsContact CD-CD2 3.5Å; P58-W123 HydrophobicContact CG-CD2 4.27Å; P58-W123 HydrophobicContact CG-CE3 3.7Å; P58-W123 HydrophobicContact CG-CZ3 4.04Å; V66-W123 HydrophobicContact CB-CH2 4.48Å; V66-W123 HydrophobicContact CG1-CH2 3.93Å; V66-W123 HydrophobicContact CG1-CZ3 4.15Å; W97-W123 AromaticContact CD1-CZ3 3.83Å; W97-W123 HydrophobicContact CG-CZ3 4.37Å; W97-W123 AromaticContact NE1-CE3 3.74Å; W97-W123 AromaticContact NE1-CZ3 3.71Å; W123-P125 HydrophobicContact CH2-CB 3.74Å; W123-P125 HydrophobicContact CZ2-CB 4.3Å; W123-P125 HydrophobicContact CZ3-CB 4.12Å; W123-P125 HydrophobicContact CZ3-CG 4.47Å; W123-Y188 AromaticContact CZ2-CE2 3.81Å; W123-Y188 HydrophobicContact CZ2-CE2 3.81Å; W123-Y188 AromaticContact NE1-CZ 4Å; W123-Y188 PolarHBondContact NE1-OH 2.88Å; W123-Y188 VanDerWaalsContact NE1-OH 3.14Å; W123-M193 HydrophobicContact CH2-SD 3.76Å; W123-M193 HydrophobicContact CZ2-SD 4.04Å
124	T	93.9	Very high	93.1	Very high	39 Å²	39	42.8 Å²	42.8	24%	0.239	22%	0.216	C	C	.	.			trans	-134	144.3	170.3	51	0	0	0	0	109.6	W97 P119	W97-T124 HydrophobicContact CH2-CG2 4.16Å; W97-T124 HydrophobicContact CZ2-CG2 4.35Å; P119-T124 HydrophobicContact CB-CG2 3.77Å
125	P	94.8	Very high	92.3	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.039	24%	0.243	C	C	.	.			trans	-69.8	138	-176.9	28.4	-35.8	0	0	0	112	V68 Y95 W97 W123 I127 M193	V68-P125 HydrophobicContact CG1-CB 4.29Å; V68-P125 HydrophobicContact CG1-CG 3.99Å; V68-P125 HydrophobicContact CG2-CB 3.97Å; V68-P125 HydrophobicContact CG2-CG 4.32Å; Y95-P125 HydrophobicContact CD1-CG 3.73Å; Y95-P125 HydrophobicContact CE1-CG 4.18Å; W97-P125 HydrophobicContact CE3-CG 4.34Å; W97-P125 HydrophobicContact CZ3-CG 4.48Å; W123-P125 HydrophobicContact CH2-CB 3.74Å; W123-P125 HydrophobicContact CZ2-CB 4.3Å; W123-P125 HydrophobicContact CZ3-CB 4.12Å; W123-P125 HydrophobicContact CZ3-CG 4.47Å; P125-I127 HydrophobicContact CB-CG1 4.37Å; P125-I127 PolarHBondContact O-N 3.44Å; P125-M193 HydrophobicContact CB-CE 4.2Å; P125-M193 HydrophobicContact CB-SD 3.81Å
126	D	92.7	Very high	91.6	Very high	32 Å²	32	55.1 Å²	55.1	17%	0.171	27%	0.265	C	S	.	.			trans	-83.5	36	-171.8	73.2	-25.2	0	0	0	114.1	K128 S185 W186 T187 Y188 M193	D126-K128 PolarHBondContact O-N 3.34Å; D126-S185 VanDerWaalsContact CG-OG 3.29Å; D126-S185 WeakPolarHBondContact OD1-CB 3.32Å; D126-S185 PolarHBondContact OD1-OG 2.89Å; D126-S185 PolarHBondContact OD2-OG 3.46Å; D126-W186 PolarHBondContact O-N 3.31Å; D126-W186 VanDerWaalsContact O-N 3.16Å; D126-W186 PolarHBondContact OD2-N 3.3Å; D126-W186 VanDerWaalsContact OD2-N 3.12Å; D126-T187 WeakPolarHBondContact OD2-CB 3.17Å; D126-T187 PolarHBondContact OD2-N 3.31Å; D126-T187 PolarHBondContact OD2-OG1 3.42Å; D126-Y188 WeakPolarHBondContact OD1-CD2 3.5Å; D126-M193 WeakPolarHBondContact OD1-CE 3.25Å
127	I	94.6	Very high	90.6	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.1	-180	-52.3	179.7	0	0	0	109.5	V68 Y70 Y95 P125 F183 G184 M193 I195	V68-I127 HydrophobicContact CG1-CD1 3.94Å; Y70-I127 HydrophobicContact CD2-CD1 3.91Å; Y70-I127 HydrophobicContact CD2-CG2 4.46Å; Y70-I127 HydrophobicContact CE2-CG2 4.42Å; Y70-I127 HydrophobicContact CG-CD1 4.19Å; Y95-I127 HydrophobicContact CD1-CD1 4.19Å; Y95-I127 HydrophobicContact CE1-CB 3.98Å; Y95-I127 HydrophobicContact CE1-CD1 3.98Å; Y95-I127 HydrophobicContact CE1-CG1 4.19Å; P125-I127 HydrophobicContact CB-CG1 4.37Å; P125-I127 PolarHBondContact O-N 3.44Å; I127-F183 HydrophobicContact CG2-CB 3.88Å; I127-F183 HydrophobicContact CG2-CD1 4.3Å; I127-G184 WeakPolarHBondContact CA-O 3.26Å; I127-M193 HydrophobicContact CG1-CE 4.34Å; I127-I195 HydrophobicContact CD1-CD1 3.92Å; I127-I195 HydrophobicContact CD1-CG1 4.11Å; I127-I195 HydrophobicContact CD1-CG2 4.04Å; I127-I195 HydrophobicContact CG1-CD1 3.92Å; I127-I195 HydrophobicContact CG2-CD1 4.47Å
128	K	93.5	Very high	89.9	Confident	78 Å²	78	65.6 Å²	65.6	34%	0.339	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155	-179.2	-62.8	-64	161.1	-153.9	0	112.1	D126 Y130 E139 F183 G184 W186	D126-K128 PolarHBondContact O-N 3.34Å; K128-Y130 PolarHBondContact O-N 3.23Å; K128-E139 WeakPolarHBondContact CD-OE2 3.45Å; K128-E139 IonicContact NZ-OE2 3.18Å; K128-E139 PolarHBondContact NZ-OE2 3.41Å; K128-F183 WeakPolarHBondContact O-CA 3.33Å; K128-G184 PolarHBondContact N-O 3.34Å; K128-G184 PolarHBondContact O-N 3.1Å; K128-G184 VanDerWaalsContact O-N 3.14Å; K128-W186 HydrophobicContact CB-CE3 4.19Å; K128-W186 HydrophobicContact CG-CB 4.34Å; K128-W186 HydrophobicContact CG-CE3 4.43Å
129	L	94.4	Very high	89.4	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	115.9	166.4	-178.8	65.1	0	0	0	109.2	N131 F132 E139 F161 K162 L181 E182 F183	L129-N131 VanDerWaalsContact CD1-OD1 3.28Å; L129-N131 WeakPolarHBondContact CD1-OD1 3.4Å; L129-F132 HydrophobicContact CB-CB 4.38Å; L129-F132 HydrophobicContact CD2-CB 4.02Å; L129-F132 HydrophobicContact CG-CB 4.15Å; L129-F132 WeakPolarHBondContact O-CD1 3.3Å; L129-E139 WeakPolarHBondContact CB-OE1 3.07Å; L129-E139 PolarHBondContact N-OE1 3.49Å; L129-F161 HydrophobicContact CB-CD1 4.24Å; L129-F161 HydrophobicContact CB-CE1 4.4Å; L129-F161 HydrophobicContact CD2-CB 4.16Å; L129-F161 HydrophobicContact CD2-CD1 3.98Å; L129-F161 HydrophobicContact CD2-CG 4.39Å; L129-K162 WeakPolarHBondContact CD2-O 3.24Å; L129-L181 HydrophobicContact CD1-CB 4.11Å; L129-L181 HydrophobicContact CD1-CD2 3.85Å; L129-L181 HydrophobicContact CD2-CD2 4.34Å; L129-E182 CarbonylContact C-O 3.5Å; L129-E182 WeakPolarHBondContact CA-O 3.4Å; L129-F183 HydrophobicContact CB-CD1 4.44Å; L129-F183 HydrophobicContact CB-CE1 3.91Å; L129-F183 HydrophobicContact CB-CZ 4.41Å; L129-F183 HydrophobicContact CD1-CE1 4.23Å; L129-F183 HydrophobicContact CD1-CE2 4.28Å; L129-F183 HydrophobicContact CD1-CZ 4Å
130	Y	92.8	Very high	89.2	Confident	41 Å²	41	62.5 Å²	62.5	16%	0.161	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-32.8	-179.5	-79	0.5	0	0	0	113.2	K128 F132 E182 S185 W186 R248 V265	K128-Y130 PolarHBondContact O-N 3.23Å; Y130-F132 VanDerWaalsContact C-N 3.32Å; Y130-F132 PolarHBondContact O-N 2.94Å; Y130-E182 PolarHBondContact N-O 3.04Å; Y130-S185 WeakPolarHBondContact CE1-O 3.37Å; Y130-S185 PolarHBondContact OH-O 2.93Å; Y130-W186 HydrophobicContact CD1-CE3 4.16Å; Y130-W186 HydrophobicContact CD1-CZ3 4.11Å; Y130-W186 HydrophobicContact CE1-CE3 4.03Å; Y130-W186 HydrophobicContact CE1-CZ3 4.36Å; Y130-R248 VanDerWaalsContact CD2-NH1 3.28Å; Y130-V265 HydrophobicContact CD2-CG1 4.12Å; Y130-V265 HydrophobicContact CD2-CG2 4Å; Y130-V265 HydrophobicContact CE2-CG1 4.34Å; Y130-V265 HydrophobicContact CE2-CG2 3.44Å; Y130-V265 VanDerWaalsContact CE2-CG2 3.44Å
131	N	94.1	Very high	89.2	Confident	16 Å²	16	65.4 Å²	65.4	9%	0.086	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	41.9	177.7	70.4	-56.9	0	0	0	111.8	L129 S163 T164 M180 E182	L129-N131 VanDerWaalsContact CD1-OD1 3.28Å; L129-N131 WeakPolarHBondContact CD1-OD1 3.4Å; N131-S163 CarbonylContact O-C 3.59Å; N131-S163 VanDerWaalsContact O-CA 3.32Å; N131-S163 WeakPolarHBondContact O-CA 3.5Å; N131-T164 PolarHBondContact ND2-O 3.04Å; N131-T164 VanDerWaalsContact ND2-O 3.14Å; N131-T164 PolarHBondContact O-N 3.47Å; N131-M180 PolarHBondContact ND2-O 2.92Å; N131-E182 PolarHBondContact OD1-N 3.03Å
132	F	92	Very high	89.1	Confident	113 Å²	113	69.1 Å²	69.1	50%	0.496	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-68.7	146.4	-179.8	72.8	-82.1	0	0	0	112.1	L129 Y130 K162	L129-F132 HydrophobicContact CB-CB 4.38Å; L129-F132 HydrophobicContact CD2-CB 4.02Å; L129-F132 HydrophobicContact CG-CB 4.15Å; L129-F132 WeakPolarHBondContact O-CD1 3.3Å; Y130-F132 VanDerWaalsContact C-N 3.32Å; Y130-F132 PolarHBondContact O-N 2.94Å; F132-K162 WeakPolarHBondContact CA-O 3.43Å
133	A	88.4	Confident	89.1	Confident	29 Å²	29	70 Å²	70	24%	0.24	33%	0.326	C	S	.	.			trans	-129	26.4	178.7	0	0	0	0	0	112	I86 K162 T164	I86-A133 HydrophobicContact CD1-CB 3.95Å; I86-A133 HydrophobicContact CG1-CB 3.84Å; I86-A133 HydrophobicContact CG2-CB 4.07Å; A133-K162 HydrophobicContact CB-CB 4.43Å; A133-K162 PolarHBondContact N-O 3.39Å; A133-T164 HydrophobicContact CB-CG2 3.88Å
134	D	81	Confident	89.2	Confident	25 Å²	25	75.9 Å²	75.9	13%	0.134	35%	0.348	C	S	.	.			trans	-112	145.5	178.8	-146.8	-25.5	0	0	0	111.8	R136 K162	D134-R136 HydrophobicContact CB-CB 4.3Å; D134-R136 WeakPolarHBondContact OD1-CG 3.31Å; D134-R136 PolarHBondContact OD1-N 3.29Å; D134-R136 WeakPolarHBondContact OD2-CD 3.38Å; D134-K162 HydrophobicContact CB-CB 4.07Å; D134-K162 HydrophobicContact CB-CD 3.92Å; D134-K162 HydrophobicContact CB-CG 4.18Å; D134-K162 VanDerWaalsContact CG-CD 3.46Å; D134-K162 VanDerWaalsContact CG-CE 3.44Å; D134-K162 IonicContact OD1-NZ 2.88Å; D134-K162 PolarHBondContact OD1-NZ 3.07Å; D134-K162 VanDerWaalsContact OD2-CD 3.23Å; D134-K162 WeakPolarHBondContact OD2-CD 3.47Å; D134-K162 WeakPolarHBondContact OD2-CE 3.3Å; D134-K162 WeakPolarHBondContact OD2-CG 3.35Å; D134-K162 IonicContact OD2-NZ 3.86Å; D134-K162 PolarHBondContact OD2-NZ 3.27Å; D134-K162 VanDerWaalsContact OD2-NZ 3.08Å
135	E	79.7	Confident	89.4	Confident	192 Å²	192	74 Å²	74	90%	0.897	34%	0.337	S	S	*	.			trans	-77.8	-15.1	167.9	-62.4	172.8	177	0	0	111.3	L137	E135-L137 PolarHBondContact O-N 3.38Å
136	R	82.6	Confident	89.5	Confident	123 Å²	123	75.4 Å²	75.4	46%	0.464	35%	0.346	S	S	.	.			trans	-68.6	116.7	-177.6	-74.7	176.6	46.1	146.4	-2.2	113	D134 R138	D134-R136 HydrophobicContact CB-CB 4.3Å; D134-R136 WeakPolarHBondContact OD1-CG 3.31Å; D134-R136 PolarHBondContact OD1-N 3.29Å; D134-R136 WeakPolarHBondContact OD2-CD 3.38Å; R136-R138 PolarHBondContact NE-O 3.5Å; R136-R138 PolarHBondContact NH2-O 2.98Å; R136-R138 PolarHBondContact O-N 3.08Å
137	L	74.3	Confident	89.7	Confident	177 Å²	177	73.9 Å²	73.9	93%	0.927	34%	0.337	S	S	*	.	S	Bend	trans	-63.8	-7.8	171.4	-57	177.4	0	0	0	115.3	E135	E135-L137 PolarHBondContact O-N 3.38Å
138	R	80.8	Confident	89.8	Confident	183 Å²	183	75.4 Å²	75.4	69%	0.691	35%	0.348	S	S	*	.			trans	-137.5	113.5	178.2	-65.3	-171	-176.6	-170.1	2.6	111.2	R136	R136-R138 PolarHBondContact NE-O 3.5Å; R136-R138 PolarHBondContact NH2-O 2.98Å; R136-R138 PolarHBondContact O-N 3.08Å
139	E	83.7	Confident	90	Very high	28 Å²	28	72.7 Å²	72.7	13%	0.131	34%	0.339	C	S	.	.			trans	-81.3	-46.1	176.9	-54.5	149.5	115.3	0	0	110.9	K128 L129 L160 F161	K128-E139 WeakPolarHBondContact CD-OE2 3.45Å; K128-E139 IonicContact NZ-OE2 3.18Å; K128-E139 PolarHBondContact NZ-OE2 3.41Å; L129-E139 WeakPolarHBondContact CB-OE1 3.07Å; L129-E139 PolarHBondContact N-OE1 3.49Å; E139-L160 PolarHBondContact O-N 2.94Å; E139-L160 VanDerWaalsContact O-N 3.08Å; E139-F161 HydrophobicContact CB-CD1 4.17Å; E139-F161 HydrophobicContact CB-CE1 3.89Å; E139-F161 HydrophobicContact CG-CD1 4.3Å; E139-F161 HydrophobicContact CG-CE1 4.19Å
140	H	89	Confident	90	Very high	28 Å²	28	76.2 Å²	76.2	13%	0.13	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-81.6	148.8	-174.7	-61	91.8	0	0	0	113.6	S93 Y95 P157 Q158 F161	S93-H140 WeakPolarHBondContact CB-NE2 3.47Å; S93-H140 PolarHBondContact OG-NE2 3.2Å; Y95-H140 AromaticContact CE2-NE2 3.92Å; Y95-H140 PolarHBondContact OH-CE1 3.44Å; Y95-H140 VanDerWaalsContact OH-CE1 3.29Å; Y95-H140 PolarHBondContact OH-NE2 2.94Å; H140-P157 HydrophobicContact CB-CB 4.12Å; H140-P157 VanDerWaalsContact CD2-CG 3.5Å; H140-P157 WeakPolarHBondContact CD2-CG 3.09Å; H140-Q158 WeakPolarHBondContact CA-O 3.22Å; H140-F161 AromaticContact NE2-CZ 3.49Å; H140-F161 WeakPolarHBondContact NE2-CZ 3.26Å
141	R	91.1	Very high	90.1	Very high	166 Å²	166	74.2 Å²	74.2	63%	0.626	35%	0.35	S	S	*	.			trans	-85	156.5	164.4	-60.5	-169.1	-175.1	-140.9	7.2	110.9	A143 Q158	R141-A143 PolarHBondContact O-N 3.33Å; R141-A143 VanDerWaalsContact O-N 3.17Å; R141-Q158 HydrophobicContact CG-CB 4.48Å; R141-Q158 PolarHBondContact N-O 3.48Å
142	D	90	Very high	90.2	Very high	151 Å²	151	76.3 Å²	76.3	81%	0.807	36%	0.359	S	S	*	.			trans	-66	112.9	177	-61	-52.1	0	0	0	111.5
143	A	93.6	Very high	90.4	Very high	25 Å²	25	70.9 Å²	70.9	21%	0.207	34%	0.335	C	S	.	.			trans	-130.8	139.9	174.3	0	0	0	0	0	109.9	P119 R141 W155 P157	P119-A143 VanDerWaalsContact CD-O 3.25Å; P119-A143 WeakPolarHBondContact CD-O 3.49Å; P119-A143 WeakPolarHBondContact CG-O 3.41Å; R141-A143 PolarHBondContact O-N 3.33Å; R141-A143 VanDerWaalsContact O-N 3.17Å; A143-W155 PolarHBondContact O-NE1 3.26Å; A143-P157 HydrophobicContact CB-CB 4.06Å
144	R	96.4	Very high	90.9	Very high	139 Å²	139	72.8 Å²	72.8	53%	0.525	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-74	147.5	174.5	-67.9	-176.1	-170.7	146	8.7	110.6	R116 I117 F118	R116-R144 HydrophobicContact CB-CB 4.4Å; I117-R144 CarbonylContact O-C 3.33Å; I117-R144 WeakPolarHBondContact O-CA 3.37Å; I117-R144 WeakPolarHBondContact O-CB 3.44Å; F118-R144 HydrophobicContact CD1-CG 3.92Å; F118-R144 HydrophobicContact CE1-CG 4.06Å; F118-R144 HydrophobicContact CG-CG 4.33Å; F118-R144 VanDerWaalsContact CZ-NE 3.31Å
145	V	97	Very high	91.6	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132	169.7	-172.1	0	0	0	0	108.3	W97 R116 I117 P119 I122 V147 M153 W155	W97-V145 HydrophobicContact CH2-CG1 4.08Å; W97-V145 HydrophobicContact CH2-CG2 4.48Å; R116-V145 WeakPolarHBondContact CA-O 3.38Å; I117-V145 PolarHBondContact N-O 3.28Å; I117-V145 PolarHBondContact O-N 3.21Å; P119-V145 HydrophobicContact CB-CG2 4.03Å; I122-V145 HydrophobicContact CD1-CB 4.03Å; I122-V145 HydrophobicContact CD1-CG1 4.3Å; I122-V145 HydrophobicContact CD1-CG2 3.9Å; V145-V147 HydrophobicContact CG1-CG2 4.36Å; V145-M153 HydrophobicContact CG1-CB 4.47Å; V145-M153 HydrophobicContact CG1-CE 3.89Å; V145-W155 HydrophobicContact CG1-CB 4.21Å; V145-W155 HydrophobicContact CG2-CB 4.05Å; V145-W155 HydrophobicContact CG2-CD2 4.44Å; V145-W155 HydrophobicContact CG2-CG 3.81Å
146	V	97.4	Very high	92.4	Very high	36 Å²	36	66.1 Å²	66.1	22%	0.218	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.6	166.3	-179	0	0	0	0	107.2	T114 R116 L154	T114-V146 HydrophobicContact CG2-CG1 4.34Å; R116-V146 HydrophobicContact CG-CG2 4.33Å; V146-L154 HydrophobicContact CB-CB 4.31Å; V146-L154 PolarHBondContact N-O 2.56Å; V146-L154 PolarHBondContact O-N 2.98Å
147	V	97.3	Very high	93.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.4	179.6	-176.3	0	0	0	0	107.5	L102 W104 T114 V115 I117 V145 M153	L102-V147 HydrophobicContact CB-CG1 3.99Å; W104-V147 HydrophobicContact CH2-CG1 4.27Å; W104-V147 HydrophobicContact CZ3-CG1 3.78Å; T114-V147 CarbonylContact C-O 3.59Å; T114-V147 WeakPolarHBondContact CA-O 3.35Å; T114-V147 WeakPolarHBondContact CB-O 3.32Å; V115-V147 HydrophobicContact CG2-CB 3.92Å; V115-V147 HydrophobicContact CG2-CG1 4.46Å; V115-V147 PolarHBondContact N-O 3.49Å; V115-V147 PolarHBondContact O-N 3.02Å; I117-V147 HydrophobicContact CB-CG2 4.43Å; I117-V147 HydrophobicContact CD1-CG2 4.05Å; I117-V147 HydrophobicContact CG1-CG2 4.16Å; V145-V147 HydrophobicContact CG1-CG2 4.36Å; V147-M153 HydrophobicContact CB-SD 4.17Å; V147-M153 HydrophobicContact CG1-SD 3.72Å; V147-M153 HydrophobicContact CG2-CE 3.87Å; V147-M153 HydrophobicContact CG2-SD 3.83Å
148	S	97.3	Very high	94.1	Very high	31 Å²	31	53.4 Å²	53.4	22%	0.217	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	155.4	175.1	-64.7	0	0	0	0	111.7	W104 K113 N150 G151 E152	W104-S148 VanDerWaalsContact CH2-C 3.45Å; K113-S148 CarbonylContact O-C 3.56Å; K113-S148 WeakPolarHBondContact O-CA 3.2Å; S148-N150 WeakPolarHBondContact CB-OD1 3.3Å; S148-N150 PolarHBondContact O-N 3.03Å; S148-G151 WeakPolarHBondContact O-CA 3.29Å; S148-G151 PolarHBondContact O-N 2.97Å; S148-E152 PolarHBondContact N-O 3.04Å
149	S	96.6	Very high	94.8	Very high	21 Å²	21	44.8 Å²	44.8	15%	0.147	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-37.7	-178.1	55.1	0	0	0	0	114.3	R103 W104 E106 K113 G151	R103-S149 WeakPolarHBondContact CA-O 3.46Å; W104-S149 PolarHBondContact N-O 3.43Å; E106-S149 WeakPolarHBondContact OE1-CB 3.49Å; E106-S149 PolarHBondContact OE1-OG 2.89Å; K113-S149 PolarHBondContact O-N 2.74Å; S149-G151 PolarHBondContact O-N 3.42Å
150	N	95.6	Very high	95.3	Very high	76 Å²	76	46 Å²	46	41%	0.406	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-0.8	173.9	69	-14.1	0	0	0	114.6	R103 S148 E152	R103-N150 PolarHBondContact NE-O 3.05Å; R103-N150 PolarHBondContact NH2-O 3.2Å; R103-N150 VanDerWaalsContact NH2-O 3.17Å; S148-N150 WeakPolarHBondContact CB-OD1 3.3Å; S148-N150 PolarHBondContact O-N 3.03Å; N150-E152 VanDerWaalsContact C-N 3.34Å; N150-E152 PolarHBondContact ND2-OE2 2.83Å; N150-E152 WeakPolarHBondContact OD1-CB 3.05Å; N150-E152 PolarHBondContact OD1-N 3.42Å
151	G	94	Very high	95.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	78.9	13.9	-175.5	0	0	0	0	0	113.8	T98 D99 S148 S149	T98-G151 CarbonylContact C-O 3.51Å; T98-G151 WeakPolarHBondContact CA-O 3.34Å; D99-G151 PolarHBondContact N-O 2.9Å; D99-G151 WeakPolarHBondContact O-CA 3.12Å; S148-G151 WeakPolarHBondContact O-CA 3.29Å; S148-G151 PolarHBondContact O-N 2.97Å; S149-G151 PolarHBondContact O-N 3.42Å
152	E	96.7	Very high	95.8	Very high	59 Å²	59	39.4 Å²	39.4	28%	0.276	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131.2	174.2	-171.2	-179.9	150.7	0	0	110.2	K96 S148 N150	K96-E152 WeakPolarHBondContact CE-OE1 3.44Å; K96-E152 IonicContact NZ-OE1 2.75Å; K96-E152 PolarHBondContact NZ-OE1 3.41Å; S148-E152 PolarHBondContact N-O 3.04Å; N150-E152 VanDerWaalsContact C-N 3.34Å; N150-E152 PolarHBondContact ND2-OE2 2.83Å; N150-E152 WeakPolarHBondContact OD1-CB 3.05Å; N150-E152 PolarHBondContact OD1-N 3.42Å
153	M	96.8	Very high	96	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.5	-170	-55.7	-65.5	-78	0	0	108.8	K96 W97 D99 L102 I122 V145 V147	K96-M153 VanDerWaalsContact CA-O 3.3Å; K96-M153 WeakPolarHBondContact CA-O 3.35Å; W97-M153 HydrophobicContact CD2-CB 3.53Å; W97-M153 HydrophobicContact CD2-CG 4.14Å; W97-M153 VanDerWaalsContact CE2-CB 3.49Å; W97-M153 HydrophobicContact CE3-CB 3.85Å; W97-M153 HydrophobicContact CG-CB 4.01Å; W97-M153 HydrophobicContact CG-CG 4.31Å; W97-M153 HydrophobicContact CH2-CB 4.1Å; W97-M153 HydrophobicContact CZ2-CB 3.8Å; W97-M153 HydrophobicContact CZ2-CE 3.87Å; W97-M153 HydrophobicContact CZ2-CG 4.15Å; W97-M153 HydrophobicContact CZ3-CB 4.11Å; W97-M153 PolarHBondContact N-O 3.2Å; W97-M153 WeakPolarHBondContact O-CB 3.42Å; W97-M153 PolarHBondContact O-N 3.33Å; D99-M153 HydrophobicContact CB-CE 4.44Å; D99-M153 HydrophobicContact CB-CG 3.83Å; D99-M153 HydrophobicContact CB-SD 3.96Å; L102-M153 HydrophobicContact CD1-CE 3.34Å; L102-M153 HydrophobicContact CD1-SD 3.78Å; I122-M153 HydrophobicContact CD1-CE 3.56Å; V145-M153 HydrophobicContact CG1-CB 4.47Å; V145-M153 HydrophobicContact CG1-CE 3.89Å; V147-M153 HydrophobicContact CB-SD 4.17Å; V147-M153 HydrophobicContact CG1-SD 3.72Å; V147-M153 HydrophobicContact CG2-CE 3.87Å; V147-M153 HydrophobicContact CG2-SD 3.83Å
154	L	97.3	Very high	96	Very high	69 Å²	69	34.4 Å²	34.4	36%	0.361	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118	176.2	174.9	64.2	0	0	0	109.9	V146 V156 W198	V146-L154 HydrophobicContact CB-CB 4.31Å; V146-L154 PolarHBondContact N-O 2.56Å; V146-L154 PolarHBondContact O-N 2.98Å; L154-V156 HydrophobicContact CD1-CG2 3.8Å; L154-V156 HydrophobicContact CG-CG2 4.22Å; L154-W198 HydrophobicContact CD1-CH2 3.77Å
155	W	97.3	Very high	95.9	Very high	26 Å²	26	28 Å²	28	10%	0.098	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.4	176.7	-172.5	44.4	0	0	0	109.6	Y95 W97 P119 A143 V145 P157	Y95-W155 HydrophobicContact CD1-CE3 4.41Å; Y95-W155 HydrophobicContact CD2-CD2 4.31Å; Y95-W155 AromaticContact CD2-CE3 3.61Å; Y95-W155 HydrophobicContact CD2-CE3 3.61Å; Y95-W155 HydrophobicContact CD2-CZ3 4.2Å; Y95-W155 HydrophobicContact CE1-CZ3 4.43Å; Y95-W155 AromaticContact CE2-CE3 3.78Å; Y95-W155 HydrophobicContact CE2-CE3 3.78Å; Y95-W155 AromaticContact CE2-CZ3 3.91Å; Y95-W155 HydrophobicContact CE2-CZ3 3.91Å; Y95-W155 AromaticContact CG-CE3 3.95Å; Y95-W155 HydrophobicContact CG-CE3 3.95Å; Y95-W155 PolarHBondContact N-O 3.17Å; Y95-W155 PolarHBondContact O-N 2.97Å; W97-W155 HydrophobicContact CH2-CB 4.14Å; W97-W155 HydrophobicContact CZ3-CB 3.89Å; P119-W155 HydrophobicContact CB-CZ2 3.97Å; P119-W155 HydrophobicContact CG-CZ2 4.09Å; A143-W155 PolarHBondContact O-NE1 3.26Å; V145-W155 HydrophobicContact CG1-CB 4.21Å; V145-W155 HydrophobicContact CG2-CB 4.05Å; V145-W155 HydrophobicContact CG2-CD2 4.44Å; V145-W155 HydrophobicContact CG2-CG 3.81Å; W155-P157 VanDerWaalsContact C-CD 3.45Å; W155-P157 HydrophobicContact CD2-CG 3.93Å; W155-P157 HydrophobicContact CE3-CG 4.25Å; W155-P157 HydrophobicContact CG-CG 4.46Å; W155-P157 HydrophobicContact CH2-CG 4.26Å; W155-P157 HydrophobicContact CZ2-CB 4.29Å; W155-P157 HydrophobicContact CZ2-CG 3.93Å; W155-P157 HydrophobicContact CZ3-CG 4.4Å
156	V	96.3	Very high	95.5	Very high	51 Å²	51	34.6 Å²	34.6	31%	0.309	18%	0.183	S	C	.	.			trans	-130.4	68.1	-177.8	-169.9	0	0	0	0	110.7	W92 S93 M94 L154	W92-V156 HydrophobicContact CB-CG1 3.92Å; W92-V156 HydrophobicContact CE3-CG1 4.08Å; W92-V156 HydrophobicContact CG-CG1 4.5Å; S93-V156 WeakPolarHBondContact O-CA 3.47Å; M94-V156 HydrophobicContact CG-CG1 3.91Å; M94-V156 HydrophobicContact CG-CG2 4.27Å; L154-V156 HydrophobicContact CD1-CG2 3.8Å; L154-V156 HydrophobicContact CG-CG2 4.22Å
157	P	96.8	Very high	95.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.			trans	-70	138.6	172.4	28.6	-36.1	0	0	0	112.1	S93 Y95 H140 A143 W155	S93-P157 PolarHBondContact N-O 2.91Å; S93-P157 VanDerWaalsContact N-O 3.07Å; S93-P157 VanDerWaalsContact O-CD 3.3Å; S93-P157 WeakPolarHBondContact O-CD 3.5Å; Y95-P157 HydrophobicContact CD2-CG 4.36Å; Y95-P157 HydrophobicContact CE2-CG 3.95Å; H140-P157 HydrophobicContact CB-CB 4.12Å; H140-P157 VanDerWaalsContact CD2-CG 3.5Å; H140-P157 WeakPolarHBondContact CD2-CG 3.09Å; A143-P157 HydrophobicContact CB-CB 4.06Å; W155-P157 VanDerWaalsContact C-CD 3.45Å; W155-P157 HydrophobicContact CD2-CG 3.93Å; W155-P157 HydrophobicContact CE3-CG 4.25Å; W155-P157 HydrophobicContact CG-CG 4.46Å; W155-P157 HydrophobicContact CH2-CG 4.26Å; W155-P157 HydrophobicContact CZ2-CB 4.29Å; W155-P157 HydrophobicContact CZ2-CG 3.93Å; W155-P157 HydrophobicContact CZ3-CG 4.4Å
158	Q	95.8	Very high	94.7	Very high	33 Å²	33	37.7 Å²	37.7	15%	0.154	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.5	163.3	-172.4	176.2	59.2	0	0	109.2	N90 C91 W92 H140 R141	N90-Q158 PolarHBondContact ND2-NE2 2.92Å; N90-Q158 VanDerWaalsContact OD1-CG 3.29Å; N90-Q158 WeakPolarHBondContact OD1-CG 3.41Å; N90-Q158 PolarHBondContact OD1-NE2 3.4Å; C91-Q158 CarbonylContact O-C 3.58Å; C91-Q158 WeakPolarHBondContact O-CA 3.29Å; W92-Q158 HydrophobicContact CD2-CB 4.33Å; W92-Q158 HydrophobicContact CE3-CB 3.78Å; W92-Q158 HydrophobicContact CH2-CB 4.12Å; W92-Q158 HydrophobicContact CZ3-CB 3.68Å; H140-Q158 WeakPolarHBondContact CA-O 3.22Å; R141-Q158 HydrophobicContact CG-CB 4.48Å; R141-Q158 PolarHBondContact N-O 3.48Å
159	A	94.3	Very high	94.2	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.9	-179.8	0	0	0	0	0	111.1	C91 F161	C91-A159 PolarHBondContact N-O 3.34Å; C91-A159 PolarHBondContact O-N 3.39Å; A159-F161 HydrophobicContact CB-CD2 3.92Å; A159-F161 HydrophobicContact CB-CE1 4.02Å; A159-F161 HydrophobicContact CB-CE2 3.34Å; A159-F161 HydrophobicContact CB-CG 4.48Å; A159-F161 HydrophobicContact CB-CZ 3.39Å
160	L	94.1	Very high	93.8	Very high	53 Å²	53	36.2 Å²	36.2	28%	0.277	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	103.5	167.2	174.7	59	0	0	0	107.9	L78 E139	L78-L160 HydrophobicContact CD1-CD1 3.4Å; E139-L160 PolarHBondContact O-N 2.94Å; E139-L160 VanDerWaalsContact O-N 3.08Å
161	F	95.2	Very high	93.4	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.4	179.2	-66.6	-61.3	0	0	0	110.8	L72 R88 T89 C91 S93 L129 E139 H140 A159 L181 F183	L72-F161 HydrophobicContact CD1-CE2 3.98Å; R88-F161 WeakPolarHBondContact CA-O 3.48Å; T89-F161 PolarHBondContact N-O 2.7Å; T89-F161 PolarHBondContact O-N 2.96Å; C91-F161 HydrophobicContact CB-CD2 4.12Å; C91-F161 HydrophobicContact CB-CE2 4.18Å; S93-F161 WeakPolarHBondContact OG-CZ 3.41Å; L129-F161 HydrophobicContact CB-CD1 4.24Å; L129-F161 HydrophobicContact CB-CE1 4.4Å; L129-F161 HydrophobicContact CD2-CB 4.16Å; L129-F161 HydrophobicContact CD2-CD1 3.98Å; L129-F161 HydrophobicContact CD2-CG 4.39Å; E139-F161 HydrophobicContact CB-CD1 4.17Å; E139-F161 HydrophobicContact CB-CE1 3.89Å; E139-F161 HydrophobicContact CG-CD1 4.3Å; E139-F161 HydrophobicContact CG-CE1 4.19Å; H140-F161 AromaticContact NE2-CZ 3.49Å; H140-F161 WeakPolarHBondContact NE2-CZ 3.26Å; A159-F161 HydrophobicContact CB-CD2 3.92Å; A159-F161 HydrophobicContact CB-CE1 4.02Å; A159-F161 HydrophobicContact CB-CE2 3.34Å; A159-F161 HydrophobicContact CB-CG 4.48Å; A159-F161 HydrophobicContact CB-CZ 3.39Å; F161-L181 HydrophobicContact CB-CD2 4.31Å; F161-F183 HydrophobicContact CD1-CE1 4.28Å; F161-F183 HydrophobicContact CD1-CZ 4.22Å; F161-F183 HydrophobicContact CD2-CZ 4Å; F161-F183 AromaticContact CE1-CE1 3.61Å; F161-F183 HydrophobicContact CE1-CE1 3.61Å; F161-F183 AromaticContact CE1-CZ 3.89Å; F161-F183 HydrophobicContact CE1-CZ 3.89Å; F161-F183 HydrophobicContact CE2-CE1 4.02Å; F161-F183 AromaticContact CE2-CZ 3.63Å; F161-F183 HydrophobicContact CE2-CZ 3.63Å; F161-F183 HydrophobicContact CG-CZ 4.28Å; F161-F183 AromaticContact CZ-CE1 3.46Å; F161-F183 HydrophobicContact CZ-CE1 3.46Å; F161-F183 VanDerWaalsContact CZ-CE1 3.46Å; F161-F183 AromaticContact CZ-CZ 3.57Å; F161-F183 HydrophobicContact CZ-CZ 3.57Å
162	K	95	Very high	93.1	Very high	56 Å²	56	37.2 Å²	37.2	24%	0.243	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.7	160	-57	-174	-165.7	151.1	0	107.9	I86 L87 R88 L129 F132 A133 D134	I86-K162 HydrophobicContact CG2-CB 3.81Å; I86-K162 HydrophobicContact CG2-CD 4.44Å; I86-K162 HydrophobicContact CG2-CG 4.39Å; L87-K162 WeakPolarHBondContact O-CA 3.1Å; R88-K162 HydrophobicContact CG-CG 4.18Å; L129-K162 WeakPolarHBondContact CD2-O 3.24Å; F132-K162 WeakPolarHBondContact CA-O 3.43Å; A133-K162 HydrophobicContact CB-CB 4.43Å; A133-K162 PolarHBondContact N-O 3.39Å; D134-K162 HydrophobicContact CB-CB 4.07Å; D134-K162 HydrophobicContact CB-CD 3.92Å; D134-K162 HydrophobicContact CB-CG 4.18Å; D134-K162 VanDerWaalsContact CG-CD 3.46Å; D134-K162 VanDerWaalsContact CG-CE 3.44Å; D134-K162 IonicContact OD1-NZ 2.88Å; D134-K162 PolarHBondContact OD1-NZ 3.07Å; D134-K162 VanDerWaalsContact OD2-CD 3.23Å; D134-K162 WeakPolarHBondContact OD2-CD 3.47Å; D134-K162 WeakPolarHBondContact OD2-CE 3.3Å; D134-K162 WeakPolarHBondContact OD2-CG 3.35Å; D134-K162 IonicContact OD2-NZ 3.86Å; D134-K162 PolarHBondContact OD2-NZ 3.27Å; D134-K162 VanDerWaalsContact OD2-NZ 3.08Å
163	S	95.1	Very high	92.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.9	-177	49.3	0	0	0	0	111	I86 L87 N131 L181	I86-S163 WeakPolarHBondContact CA-O 3.42Å; L87-S163 PolarHBondContact N-O 3.15Å; L87-S163 PolarHBondContact O-N 2.98Å; L87-S163 PolarHBondContact O-OG 2.88Å; N131-S163 CarbonylContact O-C 3.59Å; N131-S163 VanDerWaalsContact O-CA 3.32Å; N131-S163 WeakPolarHBondContact O-CA 3.5Å; S163-L181 WeakPolarHBondContact OG-CD2 3.31Å
164	T	93.9	Very high	92.4	Very high	71 Å²	71	39.5 Å²	39.5	44%	0.436	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	133.9	169.8	55.7	0	0	0	0	110.4	Q85 N131 A133	Q85-T164 WeakPolarHBondContact O-CA 3.4Å; N131-T164 PolarHBondContact ND2-O 3.04Å; N131-T164 VanDerWaalsContact ND2-O 3.14Å; N131-T164 PolarHBondContact O-N 3.47Å; A133-T164 HydrophobicContact CB-CG2 3.88Å
165	C	93.4	Very high	92	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.034	18%	0.176	C	C	.	.			trans	-139.1	116.4	175.3	179.2	0	0	0	0	109.6	L80 Q85 L87 V167 C179	L80-C165 HydrophobicContact CD1-CB 4.34Å; Q85-C165 WeakPolarHBondContact CB-O 3.45Å; Q85-C165 PolarHBondContact O-N 3.1Å; L87-C165 HydrophobicContact CB-CB 4.21Å; C165-V167 PolarHBondContact O-N 3.02Å; C165-C179 HydrophobicContact CB-CB 3.77Å; C165-C179 WeakPolarHBondContact CB-SG 3.35Å; C165-C179 WeakPolarHBondContact SG-CA 3.46Å; C165-C179 WeakPolarHBondContact SG-CB 3.27Å; C165-C179 CovalentContact SG-SG 2.04Å; C165-C179 PolarHBondContact SG-SG 2.77Å
166	E	89.8	Confident	91.8	Very high	138 Å²	138	36.4 Å²	36.4	65%	0.645	18%	0.179	S	C	*	.			trans	-69.6	113.4	175.2	-172.3	179.8	167	0	0	109
167	V	88.6	Confident	91.6	Very high	9 Å²	9	34.1 Å²	34.1	6%	0.055	17%	0.165	C	C	.	.			trans	-94	123.5	-175.7	-178.4	0	0	0	0	110.1	L80 E82 C165 I169 Q177	L80-V167 HydrophobicContact CD1-CG2 4.42Å; L80-V167 HydrophobicContact CD2-CG2 4.37Å; E82-V167 HydrophobicContact CB-CB 4.49Å; E82-V167 HydrophobicContact CB-CG1 4.14Å; E82-V167 HydrophobicContact CB-CG2 4.24Å; E82-V167 HydrophobicContact CG-CG1 3.86Å; E82-V167 HydrophobicContact CG-CG2 4.2Å; C165-V167 PolarHBondContact O-N 3.02Å; V167-I169 HydrophobicContact CG1-CG2 3.76Å; V167-Q177 HydrophobicContact CG1-CG 4.22Å
168	E	87.8	Confident	91.4	Very high	92 Å²	92	35.6 Å²	35.6	43%	0.43	17%	0.173	S	C	.	.			trans	-94	109.2	170.6	-179.5	162.8	-163.7	0	0	111.1	T170 Q177 N335	E168-T170 VanDerWaalsContact CG-OG1 3.25Å; E168-T170 WeakPolarHBondContact CG-OG1 3.39Å; E168-T170 WeakPolarHBondContact OE1-CB 3.21Å; E168-T170 PolarHBondContact OE1-OG1 3.43Å; E168-Q177 PolarHBondContact O-NE2 3.31Å; E168-N335 PolarHBondContact OE1-ND2 3.43Å
169	I	88.3	Confident	91.4	Very high	4 Å²	4	34 Å²	34	2%	0.021	17%	0.165	C	C	.	.			trans	-94.8	6.8	-178.9	68.8	164.7	0	0	0	114.6	V167 Y171 F172 T329 P330 V333 P337	V167-I169 HydrophobicContact CG1-CG2 3.76Å; I169-Y171 PolarHBondContact O-N 2.97Å; I169-F172 HydrophobicContact CB-CB 4.26Å; I169-F172 VanDerWaalsContact O-CB 3.25Å; I169-F172 WeakPolarHBondContact O-CB 3.27Å; I169-F172 PolarHBondContact O-N 2.94Å; I169-T329 HydrophobicContact CD1-CG2 3.94Å; I169-P330 HydrophobicContact CG2-CG 4.26Å; I169-V333 HydrophobicContact CD1-CB 4.31Å; I169-V333 HydrophobicContact CD1-CG1 3.61Å; I169-V333 HydrophobicContact CD1-CG2 4.4Å; I169-V333 HydrophobicContact CG1-CB 4.41Å; I169-V333 HydrophobicContact CG1-CG1 3.86Å; I169-P337 HydrophobicContact CD1-CB 4.15Å; I169-P337 HydrophobicContact CD1-CG 3.94Å; I169-P337 HydrophobicContact CG1-CB 4.33Å; I169-P337 WeakPolarHBondContact O-CB 3.31Å
170	T	87.4	Confident	91.4	Very high	17 Å²	17	35.6 Å²	35.6	10%	0.104	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-42.1	-175	-53.9	0	0	0	0	113	E168 N335 L338	E168-T170 VanDerWaalsContact CG-OG1 3.25Å; E168-T170 WeakPolarHBondContact CG-OG1 3.39Å; E168-T170 WeakPolarHBondContact OE1-CB 3.21Å; E168-T170 PolarHBondContact OE1-OG1 3.43Å; T170-N335 VanDerWaalsContact OG1-CB 3.28Å; T170-N335 WeakPolarHBondContact OG1-CB 3.5Å; T170-N335 PolarHBondContact OG1-ND2 3.37Å; T170-N335 VanDerWaalsContact OG1-ND2 3.11Å; T170-L338 WeakPolarHBondContact O-CG 3.47Å; T170-L338 PolarHBondContact O-N 3.37Å; T170-L338 VanDerWaalsContact O-N 3.07Å
171	Y	87.7	Confident	91.5	Very high	89 Å²	89	33 Å²	33	35%	0.349	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	13.7	-176.7	-60.5	-59.1	0	0	0	114.8	I169 F174 L338 P591	I169-Y171 PolarHBondContact O-N 2.97Å; Y171-F174 CarbonylContact O-C 3.59Å; Y171-F174 WeakPolarHBondContact O-CA 3.44Å; Y171-F174 PolarHBondContact O-N 2.88Å; Y171-L338 HydrophobicContact CD1-CD1 3.73Å; Y171-L338 HydrophobicContact CE1-CD1 3.7Å; Y171-P591 HydrophobicContact CD1-CB 3.73Å; Y171-P591 HydrophobicContact CE1-CB 4.26Å; Y171-P591 HydrophobicContact CG-CB 4.47Å
172	F	87.9	Confident	91.5	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.031	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	134.7	-180	178.2	-90.1	0	0	0	112.2	I169 Y279 L283 L325 T329 P337 I339	I169-F172 HydrophobicContact CB-CB 4.26Å; I169-F172 VanDerWaalsContact O-CB 3.25Å; I169-F172 WeakPolarHBondContact O-CB 3.27Å; I169-F172 PolarHBondContact O-N 2.94Å; F172-Y279 HydrophobicContact CE1-CD1 4.19Å; F172-Y279 HydrophobicContact CE2-CE1 4.36Å; F172-Y279 AromaticContact CZ-CD1 3.65Å; F172-Y279 HydrophobicContact CZ-CD1 3.65Å; F172-Y279 AromaticContact CZ-CE1 3.62Å; F172-Y279 HydrophobicContact CZ-CE1 3.62Å; F172-Y279 HydrophobicContact CZ-CG 4.11Å; F172-L283 HydrophobicContact CE1-CD1 4.15Å; F172-L325 HydrophobicContact CD1-CD1 3.91Å; F172-L325 HydrophobicContact CE1-CD1 3.72Å; F172-T329 HydrophobicContact CD1-CG2 4.41Å; F172-T329 HydrophobicContact CE1-CG2 4.41Å; F172-P337 HydrophobicContact CB-CB 4.45Å; F172-I339 HydrophobicContact CD1-CG2 4.28Å; F172-I339 WeakPolarHBondContact O-CG2 3.5Å
173	P	89.1	Confident	91.6	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.026	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.8	14.4	6.1	39.5	-38.9	0	0	0	114.4	D175 P276 Y279	P173-D175 VanDerWaalsContact C-OD1 3.28Å; P173-D175 WeakPolarHBondContact CA-OD1 3.49Å; P173-D175 PolarHBondContact O-N 2.8Å; P173-P276 HydrophobicContact CB-CB 4.42Å; P173-P276 HydrophobicContact CG-CB 4.24Å; P173-P276 WeakPolarHBondContact O-CB 3.31Å; P173-Y279 VanDerWaalsContact CB-CB 3.45Å; P173-Y279 HydrophobicContact CB-CD2 3.98Å; P173-Y279 HydrophobicContact CB-CG 3.85Å
174	F	89.4	Confident	91.6	Very high	103 Å²	103	30.9 Å²	30.9	45%	0.452	15%	0.15	S	C	.	.	S	Bend	trans	-93.8	29.8	176.9	-56.4	-82.2	0	0	0	111.3	Y171 P276 V280 P591	Y171-F174 CarbonylContact O-C 3.59Å; Y171-F174 WeakPolarHBondContact O-CA 3.44Å; Y171-F174 PolarHBondContact O-N 2.88Å; F174-P276 HydrophobicContact CD1-CB 3.68Å; F174-P276 HydrophobicContact CD1-CG 3.79Å; F174-P276 HydrophobicContact CE1-CB 3.61Å; F174-P276 HydrophobicContact CE1-CG 3.71Å; F174-P276 HydrophobicContact CG-CB 4.4Å; F174-P276 HydrophobicContact CZ-CB 4.27Å; F174-V280 HydrophobicContact CE1-CG2 4.25Å; F174-V280 HydrophobicContact CZ-CG2 3.74Å; F174-P591 HydrophobicContact CD2-CG 4.32Å
175	D	89.5	Confident	91.6	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	13%	0.13	C	C	.	.			trans	-79.8	157.7	-173.9	57.1	-63.9	0	0	0	113.5	P173 Q177 R274	P173-D175 VanDerWaalsContact C-OD1 3.28Å; P173-D175 WeakPolarHBondContact CA-OD1 3.49Å; P173-D175 PolarHBondContact O-N 2.8Å; D175-Q177 PolarHBondContact OD2-NE2 2.91Å; D175-R274 PolarHBondContact O-N 3.05Å; D175-R274 IonicContact OD1-CZ 3.4Å; D175-R274 IonicContact OD1-NE 2.76Å; D175-R274 PolarHBondContact OD1-NE 2.87Å; D175-R274 IonicContact OD1-NH2 3.97Å; D175-R274 IonicContact OD2-CZ 3.54Å; D175-R274 IonicContact OD2-NE 3.73Å; D175-R274 PolarHBondContact OD2-NE 3.35Å; D175-R274 IonicContact OD2-NH2 2.71Å; D175-R274 PolarHBondContact OD2-NH2 2.9Å
176	T	91.6	Very high	91.5	Very high	27 Å²	27	34.7 Å²	34.7	17%	0.166	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	119.7	177.8	-67.4	0	0	0	0	108.4	R271 L272 R273 P596	T176-R271 HydrophobicContact CG2-CG 3.61Å; T176-L272 CarbonylContact C-O 3.54Å; T176-L272 VanDerWaalsContact CA-O 3.3Å; T176-L272 WeakPolarHBondContact CA-O 3.38Å; T176-R273 HydrophobicContact CG2-CG 3.89Å; T176-R273 WeakPolarHBondContact OG1-CG 3.21Å; T176-P596 HydrophobicContact CG2-CG 3.62Å
177	Q	92.6	Very high	91.6	Very high	3 Å²	3	32 Å²	32	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	147.1	-175	-49.5	-54.3	-24.3	0	0	110.3	L80 V167 E168 D175 W222 R271 L272	L80-Q177 HydrophobicContact CD2-CB 4.45Å; L80-Q177 HydrophobicContact CD2-CG 4.09Å; V167-Q177 HydrophobicContact CG1-CG 4.22Å; E168-Q177 PolarHBondContact O-NE2 3.31Å; D175-Q177 PolarHBondContact OD2-NE2 2.91Å; Q177-W222 HydrophobicContact CG-CH2 4.09Å; Q177-W222 HydrophobicContact CG-CZ3 4.11Å; Q177-R271 CarbonylContact O-C 3.55Å; Q177-R271 WeakPolarHBondContact O-CA 3.49Å; Q177-L272 HydrophobicContact CB-CB 4.39Å; Q177-L272 PolarHBondContact N-O 3.24Å; Q177-L272 PolarHBondContact O-N 3.46Å
178	I	93.6	Very high	91.8	Very high	30 Å²	30	33.5 Å²	33.5	15%	0.154	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	95.6	173.9	-59.2	176.7	0	0	0	107.6	I241 I270 R271 V598	I178-I241 HydrophobicContact CD1-CD1 4.21Å; I178-I241 HydrophobicContact CG1-CD1 4.35Å; I178-I241 HydrophobicContact CG2-CD1 4.06Å; I178-I270 WeakPolarHBondContact CA-O 3.36Å; I178-R271 HydrophobicContact CG1-CG 4.34Å; I178-V598 HydrophobicContact CD1-CG2 4.28Å
179	C	95	Very high	92.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	153.7	178.9	-62.3	0	0	0	0	111.4	L87 C165 I270	L87-C179 HydrophobicContact CD2-CB 3.52Å; C165-C179 HydrophobicContact CB-CB 3.77Å; C165-C179 WeakPolarHBondContact CB-SG 3.35Å; C165-C179 WeakPolarHBondContact SG-CA 3.46Å; C165-C179 WeakPolarHBondContact SG-CB 3.27Å; C165-C179 CovalentContact SG-SG 2.04Å; C165-C179 PolarHBondContact SG-SG 2.77Å; C179-I270 PolarHBondContact N-O 2.99Å; C179-I270 PolarHBondContact O-N 2.74Å
180	M	94.6	Very high	92.3	Very high	34 Å²	34	32.9 Å²	32.9	17%	0.167	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.9	-177.6	60	-174.7	-79.4	0	0	111.9	N131 E182 Y268 L269 F602	N131-M180 PolarHBondContact ND2-O 2.92Å; M180-E182 HydrophobicContact CE-CG 3.33Å; M180-Y268 CarbonylContact C-O 3.6Å; M180-Y268 WeakPolarHBondContact CA-O 3.4Å; M180-L269 HydrophobicContact CB-CD2 3.75Å; M180-F602 HydrophobicContact CE-CE1 4.16Å; M180-F602 HydrophobicContact SD-CE1 3.59Å; M180-F602 VanDerWaalsContact SD-CE1 3.59Å; M180-F602 HydrophobicContact SD-CZ 3.54Å; M180-F602 VanDerWaalsContact SD-CZ 3.54Å
181	L	95.6	Very high	92.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	112	171.6	-66.5	146.4	0	0	0	108.3	L72 L129 F161 S163 F183 Y268 I270	L72-L181 HydrophobicContact CD2-CD1 4.09Å; L129-L181 HydrophobicContact CD1-CB 4.11Å; L129-L181 HydrophobicContact CD1-CD2 3.85Å; L129-L181 HydrophobicContact CD2-CD2 4.34Å; F161-L181 HydrophobicContact CB-CD2 4.31Å; S163-L181 WeakPolarHBondContact OG-CD2 3.31Å; L181-F183 HydrophobicContact CB-CD2 4.3Å; L181-F183 HydrophobicContact CB-CE2 3.66Å; L181-F183 HydrophobicContact CB-CZ 4.45Å; L181-Y268 PolarHBondContact N-O 2.98Å; L181-Y268 PolarHBondContact O-N 3.39Å; L181-I270 HydrophobicContact CD1-CD1 3.76Å
182	E	95.2	Very high	92.8	Very high	11 Å²	11	35.8 Å²	35.8	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	109.1	-178.5	-63.4	-167.6	106.9	0	0	111.4	L129 Y130 N131 M180 R248 V265 R267	L129-E182 CarbonylContact C-O 3.5Å; L129-E182 WeakPolarHBondContact CA-O 3.4Å; Y130-E182 PolarHBondContact N-O 3.04Å; N131-E182 PolarHBondContact OD1-N 3.03Å; M180-E182 HydrophobicContact CE-CG 3.33Å; E182-R248 IonicContact OE1-CZ 2.79Å; E182-R248 IonicContact OE1-NE 2.63Å; E182-R248 IonicContact OE1-NH2 3.51Å; E182-R248 PolarHBondContact OE1-NH2 2.95Å; E182-R248 IonicContact OE2-CZ 3.01Å; E182-R248 IonicContact OE2-NH2 3.44Å; E182-R248 PolarHBondContact OE2-NH2 3.47Å; E182-V265 HydrophobicContact CB-CG1 3.96Å; E182-R267 HydrophobicContact CG-CG 4.2Å; E182-R267 IonicContact OE1-CZ 2.77Å; E182-R267 IonicContact OE1-NE 3.22Å; E182-R267 PolarHBondContact OE1-NE 2.95Å; E182-R267 IonicContact OE1-NH2 2.78Å; E182-R267 PolarHBondContact OE1-NH2 3.39Å
183	F	96.5	Very high	93.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.9	176.7	-70.4	-78.7	0	0	0	111.7	Y70 L72 I127 K128 L129 F161 L181 V265 L266 Y268	Y70-F183 HydrophobicContact CD1-CB 4.38Å; Y70-F183 HydrophobicContact CE1-CB 3.93Å; Y70-F183 HydrophobicContact CE1-CD1 4.22Å; Y70-F183 AromaticContact CE1-CD2 3.87Å; Y70-F183 HydrophobicContact CE1-CD2 3.87Å; Y70-F183 HydrophobicContact CE1-CE2 4.47Å; Y70-F183 AromaticContact CE1-CG 3.72Å; Y70-F183 HydrophobicContact CE1-CG 3.72Å; Y70-F183 AromaticContact CZ-CG 3.99Å; Y70-F183 WeakPolarHBondContact OH-CE1 3.21Å; L72-F183 HydrophobicContact CD1-CE2 4.48Å; L72-F183 HydrophobicContact CD1-CZ 4.5Å; L72-F183 HydrophobicContact CD2-CD2 4.42Å; L72-F183 HydrophobicContact CD2-CE2 3.6Å; L72-F183 HydrophobicContact CD2-CZ 4.26Å; I127-F183 HydrophobicContact CG2-CB 3.88Å; I127-F183 HydrophobicContact CG2-CD1 4.3Å; K128-F183 WeakPolarHBondContact O-CA 3.33Å; L129-F183 HydrophobicContact CB-CD1 4.44Å; L129-F183 HydrophobicContact CB-CE1 3.91Å; L129-F183 HydrophobicContact CB-CZ 4.41Å; L129-F183 HydrophobicContact CD1-CE1 4.23Å; L129-F183 HydrophobicContact CD1-CE2 4.28Å; L129-F183 HydrophobicContact CD1-CZ 4Å; F161-F183 HydrophobicContact CD1-CE1 4.28Å; F161-F183 HydrophobicContact CD1-CZ 4.22Å; F161-F183 HydrophobicContact CD2-CZ 4Å; F161-F183 AromaticContact CE1-CE1 3.61Å; F161-F183 HydrophobicContact CE1-CE1 3.61Å; F161-F183 AromaticContact CE1-CZ 3.89Å; F161-F183 HydrophobicContact CE1-CZ 3.89Å; F161-F183 HydrophobicContact CE2-CE1 4.02Å; F161-F183 AromaticContact CE2-CZ 3.63Å; F161-F183 HydrophobicContact CE2-CZ 3.63Å; F161-F183 HydrophobicContact CG-CZ 4.28Å; F161-F183 AromaticContact CZ-CE1 3.46Å; F161-F183 HydrophobicContact CZ-CE1 3.46Å; F161-F183 VanDerWaalsContact CZ-CE1 3.46Å; F161-F183 AromaticContact CZ-CZ 3.57Å; F161-F183 HydrophobicContact CZ-CZ 3.57Å; L181-F183 HydrophobicContact CB-CD2 4.3Å; L181-F183 HydrophobicContact CB-CE2 3.66Å; L181-F183 HydrophobicContact CB-CZ 4.45Å; F183-V265 CarbonylContact O-C 3.56Å; F183-V265 WeakPolarHBondContact O-CA 3.46Å; F183-L266 PolarHBondContact N-O 2.89Å; F183-L266 PolarHBondContact O-N 3.44Å; F183-Y268 AromaticContact CD2-CD2 3.96Å; F183-Y268 HydrophobicContact CD2-CD2 3.96Å; F183-Y268 HydrophobicContact CD2-CE2 4.32Å; F183-Y268 HydrophobicContact CE2-CD2 4.46Å
184	G	95.5	Very high	93.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	161.8	176.9	0	0	0	0	0	112.1	I127 K128	I127-G184 WeakPolarHBondContact CA-O 3.26Å; K128-G184 PolarHBondContact N-O 3.34Å; K128-G184 PolarHBondContact O-N 3.1Å; K128-G184 VanDerWaalsContact O-N 3.14Å
185	S	95.3	Very high	93.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	140.8	171	177.8	0	0	0	0	110.1	D126 Y130 T187 Y188 M193	D126-S185 VanDerWaalsContact CG-OG 3.29Å; D126-S185 WeakPolarHBondContact OD1-CB 3.32Å; D126-S185 PolarHBondContact OD1-OG 2.89Å; D126-S185 PolarHBondContact OD2-OG 3.46Å; Y130-S185 WeakPolarHBondContact CE1-O 3.37Å; Y130-S185 PolarHBondContact OH-O 2.93Å; S185-T187 PolarHBondContact OG-N 2.93Å; S185-Y188 WeakPolarHBondContact OG-CB 3.45Å; S185-Y188 PolarHBondContact OG-N 3.49Å; S185-Y188 PolarHBondContact OG-O 3.46Å; S185-M193 VanDerWaalsContact CB-CE 3.5Å
186	W	90.4	Very high	94.1	Very high	156 Å²	156	32.8 Å²	32.8	59%	0.591	16%	0.162	S	C	*	.	S	Bend	trans	-78.6	-30.9	176	-162.1	-101.8	0	0	0	112.9	D126 K128 Y130	D126-W186 PolarHBondContact O-N 3.31Å; D126-W186 VanDerWaalsContact O-N 3.16Å; D126-W186 PolarHBondContact OD2-N 3.3Å; D126-W186 VanDerWaalsContact OD2-N 3.12Å; K128-W186 HydrophobicContact CB-CE3 4.19Å; K128-W186 HydrophobicContact CG-CB 4.34Å; K128-W186 HydrophobicContact CG-CE3 4.43Å; Y130-W186 HydrophobicContact CD1-CE3 4.16Å; Y130-W186 HydrophobicContact CD1-CZ3 4.11Å; Y130-W186 HydrophobicContact CE1-CE3 4.03Å; Y130-W186 HydrophobicContact CE1-CZ3 4.36Å
187	T	91.8	Very high	94.4	Very high	81 Å²	81	32.4 Å²	32.4	50%	0.497	16%	0.157	S	C	.	.	S	Bend	trans	-123.6	-35.6	-169.9	62.2	0	0	0	0	114.8	D126 S185	D126-T187 WeakPolarHBondContact OD2-CB 3.17Å; D126-T187 PolarHBondContact OD2-N 3.31Å; D126-T187 PolarHBondContact OD2-OG1 3.42Å; S185-T187 PolarHBondContact OG-N 2.93Å
188	Y	93.4	Very high	94.5	Very high	41 Å²	41	33.3 Å²	33.3	16%	0.161	16%	0.16	C	C	.	.			trans	-84.5	134.5	-175.1	-57.1	-63.5	0	0	0	112.1	R57 W123 D126 S185 Q192 M193 Y263	R57-Y188 HydrophobicContact CG-CD1 4.21Å; R57-Y188 HydrophobicContact CG-CE1 3.6Å; R57-Y188 HydrophobicContact CG-CE2 4.27Å; W123-Y188 AromaticContact CZ2-CE2 3.81Å; W123-Y188 HydrophobicContact CZ2-CE2 3.81Å; W123-Y188 AromaticContact NE1-CZ 4Å; W123-Y188 PolarHBondContact NE1-OH 2.88Å; W123-Y188 VanDerWaalsContact NE1-OH 3.14Å; D126-Y188 WeakPolarHBondContact OD1-CD2 3.5Å; S185-Y188 WeakPolarHBondContact OG-CB 3.45Å; S185-Y188 PolarHBondContact OG-N 3.49Å; S185-Y188 PolarHBondContact OG-O 3.46Å; Y188-Q192 HydrophobicContact CD1-CB 4.06Å; Y188-Q192 HydrophobicContact CG-CB 4.44Å; Y188-M193 HydrophobicContact CD2-CB 4.27Å; Y188-M193 HydrophobicContact CD2-CE 3.84Å; Y188-M193 HydrophobicContact CD2-SD 4Å; Y188-M193 HydrophobicContact CG-CB 4.15Å; Y188-Y263 VanDerWaalsContact O-CD1 3.25Å; Y188-Y263 WeakPolarHBondContact O-CD1 3.28Å
189	D	93	Very high	94.6	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.053	16%	0.158	C	C	.	.			trans	-85.9	170.4	167.7	72.5	43.4	0	0	0	111.7	T191 Q192 M193 R261 Y263	D189-T191 PolarHBondContact O-N 2.9Å; D189-T191 WeakPolarHBondContact OD1-CA 3.35Å; D189-T191 VanDerWaalsContact OD1-CB 3.29Å; D189-T191 WeakPolarHBondContact OD1-CB 3.47Å; D189-T191 PolarHBondContact OD1-N 3.43Å; D189-T191 PolarHBondContact OD1-OG1 3Å; D189-Q192 WeakPolarHBondContact O-CA 3.4Å; D189-Q192 PolarHBondContact O-N 3.48Å; D189-M193 PolarHBondContact O-N 2.86Å; D189-R261 HydrophobicContact CB-CB 4.1Å; D189-R261 HydrophobicContact CB-CG 4.36Å; D189-R261 WeakPolarHBondContact OD2-CD 3.45Å; D189-R261 WeakPolarHBondContact OD2-CG 3.36Å; D189-R261 IonicContact OD2-NE 3.65Å; D189-R261 PolarHBondContact OD2-NE 3.08Å; D189-Y263 HydrophobicContact CB-CD1 4.32Å; D189-Y263 HydrophobicContact CB-CE1 3.98Å
190	K	93.2	Very high	94.4	Very high	73 Å²	73	33.9 Å²	33.9	32%	0.317	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-22.7	179.9	-179.3	-179.9	-177.4	165.5	0	115	H247 E262	K190-H247 WeakPolarHBondContact CE-NE2 3.34Å; K190-H247 PolarHBondContact NZ-CD2 2.9Å; K190-H247 PolarHBondContact NZ-NE2 3.35Å; K190-E262 HydrophobicContact CB-CB 4.3Å; K190-E262 VanDerWaalsContact CB-O 3.23Å; K190-E262 WeakPolarHBondContact CB-O 3.32Å; K190-E262 HydrophobicContact CD-CB 4.03Å; K190-E262 WeakPolarHBondContact CD-OE2 3.48Å; K190-E262 PolarHBondContact N-O 3.22Å; K190-E262 IonicContact NZ-OE2 3.85Å; K190-E262 PolarHBondContact NZ-OE2 3.36Å
191	T	92.6	Very high	93.9	Very high	98 Å²	98	38.7 Å²	38.7	60%	0.601	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-21.5	176.5	74.7	0	0	0	0	112.2	D189	D189-T191 PolarHBondContact O-N 2.9Å; D189-T191 WeakPolarHBondContact OD1-CA 3.35Å; D189-T191 VanDerWaalsContact OD1-CB 3.29Å; D189-T191 WeakPolarHBondContact OD1-CB 3.47Å; D189-T191 PolarHBondContact OD1-N 3.43Å; D189-T191 PolarHBondContact OD1-OG1 3Å
192	Q	93.8	Very high	93.4	Very high	68 Å²	68	41.3 Å²	41.3	32%	0.318	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-41.5	-176.5	-64.3	179.4	-24	0	0	112.2	R57 K65 V66 Y188 D189	R57-Q192 VanDerWaalsContact CD-O 3.26Å; R57-Q192 WeakPolarHBondContact CD-O 3.24Å; R57-Q192 PolarHBondContact NH1-O 3.49Å; K65-Q192 WeakPolarHBondContact CA-O 3.42Å; V66-Q192 PolarHBondContact N-O 3.43Å; Y188-Q192 HydrophobicContact CD1-CB 4.06Å; Y188-Q192 HydrophobicContact CG-CB 4.44Å; D189-Q192 WeakPolarHBondContact O-CA 3.4Å; D189-Q192 PolarHBondContact O-N 3.48Å
193	M	95.1	Very high	92.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	129.9	176.7	-168.6	170.2	74.1	0	0	110.1	V66 V68 W123 P125 D126 I127 S185 Y188 D189	V66-M193 HydrophobicContact CB-CG 4.2Å; V66-M193 CarbonylContact O-C 3.57Å; V66-M193 VanDerWaalsContact O-CA 3.27Å; V66-M193 WeakPolarHBondContact O-CA 3.28Å; V66-M193 WeakPolarHBondContact O-CG 3.48Å; V68-M193 HydrophobicContact CG2-CG 3.89Å; V68-M193 HydrophobicContact CG2-SD 3.63Å; W123-M193 HydrophobicContact CH2-SD 3.76Å; W123-M193 HydrophobicContact CZ2-SD 4.04Å; P125-M193 HydrophobicContact CB-CE 4.2Å; P125-M193 HydrophobicContact CB-SD 3.81Å; D126-M193 WeakPolarHBondContact OD1-CE 3.25Å; I127-M193 HydrophobicContact CG1-CE 4.34Å; S185-M193 VanDerWaalsContact CB-CE 3.5Å; Y188-M193 HydrophobicContact CD2-CB 4.27Å; Y188-M193 HydrophobicContact CD2-CE 3.84Å; Y188-M193 HydrophobicContact CD2-SD 4Å; Y188-M193 HydrophobicContact CG-CB 4.15Å; D189-M193 PolarHBondContact O-N 2.86Å
194	D	95.3	Very high	92.4	Very high	21 Å²	21	48.6 Å²	48.6	11%	0.112	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.6	171	-164	9.7	0	0	0	110.2	K65 V66 V68 K245	K65-D194 HydrophobicContact CD-CB 4.47Å; K65-D194 IonicContact NZ-OD2 3.08Å; V66-D194 PolarHBondContact O-N 3.1Å; V68-D194 PolarHBondContact N-O 3.01Å; D194-K245 IonicContact OD1-NZ 3.78Å; D194-K245 PolarHBondContact OD1-NZ 3.42Å; D194-K245 IonicContact OD2-NZ 2.68Å; D194-K245 PolarHBondContact OD2-NZ 2.83Å
195	I	96	Very high	92	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.9	-179.1	-54.1	174.4	0	0	0	107.3	V68 I127 K245 P264 L266	V68-I195 WeakPolarHBondContact O-CA 3.4Å; I127-I195 HydrophobicContact CD1-CD1 3.92Å; I127-I195 HydrophobicContact CD1-CG1 4.11Å; I127-I195 HydrophobicContact CD1-CG2 4.04Å; I127-I195 HydrophobicContact CG1-CD1 3.92Å; I127-I195 HydrophobicContact CG2-CD1 4.47Å; I195-K245 VanDerWaalsContact O-CE 3.3Å; I195-K245 WeakPolarHBondContact O-CE 3.46Å; I195-K245 PolarHBondContact O-NZ 3.31Å; I195-P264 HydrophobicContact CG1-CG 4.27Å; I195-L266 HydrophobicContact CG2-CD1 3.66Å; I195-L266 HydrophobicContact CG2-CG 3.87Å
196	L	96.4	Very high	91.8	Very high	35 Å²	35	59 Å²	59	18%	0.183	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	159.7	-178.5	-56.2	-178.3	0	0	0	109.7	D67 V68 R69 Y70	D67-L196 HydrophobicContact CB-CD1 4.02Å; V68-L196 PolarHBondContact O-N 2.99Å; R69-L196 WeakPolarHBondContact CA-O 3.44Å; R69-L196 HydrophobicContact CG-CB 4.07Å; Y70-L196 PolarHBondContact N-O 3.28Å
197	W	96.5	Very high	91.9	Very high	19 Å²	19	55.9 Å²	55.9	7%	0.072	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	160.8	174.1	-64.8	114.1	0	0	0	111.3	R69 E207 P209 S243 K245 L266 Y268	R69-W197 WeakPolarHBondContact CG-O 3.38Å; W197-E207 HydrophobicContact CB-CB 3.99Å; W197-E207 HydrophobicContact CB-CG 4.24Å; W197-P209 HydrophobicContact CD2-CB 3.81Å; W197-P209 HydrophobicContact CE3-CB 4.26Å; W197-P209 HydrophobicContact CG-CB 4.2Å; W197-P209 HydrophobicContact CH2-CB 4.34Å; W197-P209 HydrophobicContact CZ2-CB 3.86Å; W197-S243 VanDerWaalsContact CH2-CB 3.46Å; W197-S243 VanDerWaalsContact CZ2-O 3.24Å; W197-S243 WeakPolarHBondContact CZ2-O 3.42Å; W197-K245 HydrophobicContact CZ2-CB 4.04Å; W197-L266 HydrophobicContact CD2-CD1 4.31Å; W197-L266 HydrophobicContact CD2-CD2 4Å; W197-L266 HydrophobicContact CE3-CD1 3.76Å; W197-L266 HydrophobicContact CE3-CD2 4.06Å; W197-L266 HydrophobicContact CE3-CG 4.34Å; W197-L266 HydrophobicContact CH2-CB 4Å; W197-L266 HydrophobicContact CH2-CD2 3.91Å; W197-L266 HydrophobicContact CH2-CG 4.38Å; W197-L266 HydrophobicContact CZ2-CD2 3.86Å; W197-L266 HydrophobicContact CZ3-CB 3.89Å; W197-L266 HydrophobicContact CZ3-CD1 3.92Å; W197-L266 HydrophobicContact CZ3-CD2 4.02Å; W197-L266 HydrophobicContact CZ3-CG 4.16Å; W197-Y268 HydrophobicContact CE3-CE1 4.47Å; W197-Y268 HydrophobicContact CZ3-CD1 4.5Å; W197-Y268 AromaticContact CZ3-CE1 3.95Å; W197-Y268 HydrophobicContact CZ3-CE1 3.95Å; W197-Y268 HydrophobicContact CZ3-CE2 4.03Å; W197-Y268 AromaticContact CZ3-CZ 3.69Å
198	W	95.7	Very high	92	Very high	22 Å²	22	52.5 Å²	52.5	8%	0.083	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-65.4	148	169.1	-166.9	-102.5	0	0	0	111	Y70 M94 K96 L154 M208	Y70-W198 PolarHBondContact O-N 3.45Å; Y70-W198 VanDerWaalsContact O-N 3.13Å; M94-W198 HydrophobicContact CB-CD2 4.21Å; M94-W198 HydrophobicContact CB-CE3 3.78Å; M94-W198 HydrophobicContact CB-CH2 3.96Å; M94-W198 HydrophobicContact CB-CZ2 4.37Å; M94-W198 HydrophobicContact CB-CZ3 3.63Å; M94-W198 HydrophobicContact CE-CD2 4.47Å; M94-W198 HydrophobicContact CE-CG 4.43Å; M94-W198 HydrophobicContact SD-CZ2 4.36Å; K96-W198 HydrophobicContact CB-CE3 4.41Å; K96-W198 HydrophobicContact CB-CH2 3.8Å; K96-W198 HydrophobicContact CB-CZ3 3.46Å; K96-W198 VanDerWaalsContact CB-CZ3 3.46Å; K96-W198 HydrophobicContact CD-CH2 4.06Å; K96-W198 HydrophobicContact CD-CZ3 4.41Å; L154-W198 HydrophobicContact CD1-CH2 3.77Å; W198-M208 HydrophobicContact CB-CE 4.41Å; W198-M208 PolarHBondContact O-N 3.4Å
199	I	94.7	Very high	92	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.108	27%	0.273	C	S	.	.			trans	-124.3	116.7	168.9	-60.4	-159.4	0	0	0	106.1	I205 E206 E207	I199-I205 HydrophobicContact CG2-CG2 3.46Å; I199-I205 VanDerWaalsContact CG2-CG2 3.46Å; I199-E206 WeakPolarHBondContact CG2-O 3.24Å; I199-E207 HydrophobicContact CD1-CG 3.9Å; I199-E207 HydrophobicContact CG1-CG 4.01Å
200	P	91	Very high	92.1	Very high	20 Å²	20	51.1 Å²	51.1	13%	0.13	27%	0.274	C	S	.	.			trans	-73	155.9	175.7	32.2	-34	0	0	0	110.8	S202 H234	P200-S202 PolarHBondContact O-N 3.13Å; P200-H234 VanDerWaalsContact CG-CE1 3.48Å; P200-H234 WeakPolarHBondContact CG-CE1 3.21Å
201	D	86	Confident	92.1	Very high	136 Å²	136	47.8 Å²	47.8	73%	0.727	26%	0.259	S	S	*	.	S	Bend	trans	-77.3	-2.1	-179.9	-52.6	-59.9	0	0	0	113	K96	K96-D201 IonicContact NZ-OD1 3.3Å
202	S	83.7	Confident	92.1	Very high	54 Å²	54	43.8 Å²	43.8	38%	0.378	23%	0.234	S	C	.	.	S	Bend	trans	-86.6	131.5	176.3	58.2	0	0	0	0	112	P200 H233	P200-S202 PolarHBondContact O-N 3.13Å; S202-H233 PolarHBondContact OG-NE2 2.9Å
203	P	84.9	Confident	92.2	Very high	106 Å²	106	40.8 Å²	40.8	69%	0.688	22%	0.22	S	C	*	.	S	Bend	trans	-72.4	147.7	177	29.8	-34.8	0	0	0	112.4
204	P	86	Confident	92	Very high	59 Å²	59	43.4 Å²	43.4	38%	0.383	24%	0.238	S	C	.	.	S	Bend	cis	-68.2	140.3	-3.1	28.4	-36.7	0	0	0	113.5	E206 H233 V235	P204-E206 VanDerWaalsContact C-N 3.3Å; P204-E206 HydrophobicContact CB-CG 4.35Å; P204-E206 WeakPolarHBondContact CB-OE1 3.43Å; P204-E206 PolarHBondContact O-N 3.33Å; P204-H233 VanDerWaalsContact CD-CE1 3.46Å; P204-H233 WeakPolarHBondContact CD-CE1 3.27Å; P204-V235 HydrophobicContact CG-CG2 3.93Å
205	I	87.8	Confident	91.8	Very high	126 Å²	126	46.3 Å²	46.3	65%	0.646	25%	0.254	S	S	*	.			trans	-82.1	77.7	-175.2	-55.2	178.3	0	0	0	108.7	I199	I199-I205 HydrophobicContact CG2-CG2 3.46Å; I199-I205 VanDerWaalsContact CG2-CG2 3.46Å
206	E	91.3	Very high	91.8	Very high	93 Å²	93	46.5 Å²	46.5	44%	0.435	26%	0.255	S	S	.	.			trans	-118.1	166.6	-176.9	-74	179.8	-129.6	0	0	112.1	I199 P204 H234 V235	I199-E206 WeakPolarHBondContact CG2-O 3.24Å; P204-E206 VanDerWaalsContact C-N 3.3Å; P204-E206 HydrophobicContact CB-CG 4.35Å; P204-E206 WeakPolarHBondContact CB-OE1 3.43Å; P204-E206 PolarHBondContact O-N 3.33Å; E206-H234 PolarHBondContact O-NE2 2.96Å; E206-V235 HydrophobicContact CB-CG2 4.03Å; E206-V235 HydrophobicContact CG-CG2 4.35Å
207	E	92.1	Very high	91.7	Very high	90 Å²	90	47.7 Å²	47.7	42%	0.421	26%	0.263	S	S	.	.			trans	-73	136	173.8	-73.5	-167.5	157.9	0	0	111.2	W197 I199 P209 H234	W197-E207 HydrophobicContact CB-CB 3.99Å; W197-E207 HydrophobicContact CB-CG 4.24Å; I199-E207 HydrophobicContact CD1-CG 3.9Å; I199-E207 HydrophobicContact CG1-CG 4.01Å; E207-P209 WeakPolarHBondContact O-CD 3.46Å; E207-H234 PolarHBondContact O-CD2 2.85Å
208	M	93	Very high	91.6	Very high	11 Å²	11	50 Å²	50	5%	0.054	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-104.6	83.9	178.2	-175.1	173.8	75.2	0	0	111.2	W198 Y210 D212 H234	W198-M208 HydrophobicContact CB-CE 4.41Å; W198-M208 PolarHBondContact O-N 3.4Å; M208-Y210 HydrophobicContact CG-CD2 4.46Å; M208-Y210 PolarHBondContact O-N 3.03Å; M208-D212 HydrophobicContact CE-CB 3.95Å; M208-H234 HydrophobicContact CB-CB 4.32Å; M208-H234 HydrophobicContact CG-CB 3.7Å; M208-H234 HydrophobicContact SD-CB 3.98Å
209	P	94	Very high	91.4	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.013	29%	0.288	C	S	.	.			trans	-79.2	50.2	170	36	-37.8	0	0	0	110.8	W197 E207 R242 S243	W197-P209 HydrophobicContact CD2-CB 3.81Å; W197-P209 HydrophobicContact CE3-CB 4.26Å; W197-P209 HydrophobicContact CG-CB 4.2Å; W197-P209 HydrophobicContact CH2-CB 4.34Å; W197-P209 HydrophobicContact CZ2-CB 3.86Å; E207-P209 WeakPolarHBondContact O-CD 3.46Å; P209-R242 HydrophobicContact CB-CG 4.27Å; P209-R242 HydrophobicContact CG-CG 3.99Å; P209-R242 VanDerWaalsContact CG-CZ 3.42Å; P209-S243 VanDerWaalsContact O-CB 3.26Å; P209-S243 WeakPolarHBondContact O-CB 3.43Å; P209-S243 PolarHBondContact O-N 2.68Å; P209-S243 PolarHBondContact O-OG 3.34Å
210	Y	94	Very high	91.3	Very high	19 Å²	19	56.8 Å²	56.8	8%	0.075	32%	0.322	C	S	.	.	S	Bend	trans	-139.4	151.2	178.5	-61.4	-84.7	0	0	0	108.5	M208 H234 R237 Q240 R242	M208-Y210 HydrophobicContact CG-CD2 4.46Å; M208-Y210 PolarHBondContact O-N 3.03Å; Y210-H234 HydrophobicContact CD2-CB 4.36Å; Y210-R237 HydrophobicContact CE1-CB 4.38Å; Y210-Q240 HydrophobicContact CD1-CB 3.92Å; Y210-Q240 HydrophobicContact CE1-CB 4.31Å; Y210-R242 HydrophobicContact CE1-CB 4.06Å; Y210-R242 HydrophobicContact CE1-CG 4.33Å; Y210-R242 PolarHBondContact OH-NH1 2.94Å; Y210-R242 VanDerWaalsContact OH-NH1 3.15Å
211	L	94	Very high	91.3	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	33%	0.328	C	S	.	.			trans	-69.6	135	167	-172	66.4	0	0	0	108.1	L72 L74 F213 R237 Q240 Y268 I270	L72-L211 HydrophobicContact CB-CD1 3.78Å; L72-L211 HydrophobicContact CD2-CD1 3.63Å; L72-L211 HydrophobicContact CG-CD1 3.58Å; L74-L211 HydrophobicContact CB-CD1 4.23Å; L74-L211 HydrophobicContact CB-CD2 3.75Å; L74-L211 HydrophobicContact CB-CG 3.92Å; L74-L211 HydrophobicContact CD2-CD2 3.86Å; L74-L211 HydrophobicContact CG-CD2 4.37Å; L211-F213 HydrophobicContact CB-CD2 4.43Å; L211-F213 HydrophobicContact CB-CE2 3.85Å; L211-F213 HydrophobicContact CD2-CE2 3.86Å; L211-F213 HydrophobicContact CD2-CZ 3.83Å; L211-F213 HydrophobicContact CG-CD2 4.49Å; L211-F213 HydrophobicContact CG-CE2 3.97Å; L211-F213 HydrophobicContact CG-CZ 4.42Å; L211-F213 WeakPolarHBondContact O-CD2 3.41Å; L211-R237 PolarHBondContact O-NH1 3.28Å; L211-Q240 PolarHBondContact O-OE1 3.27Å; L211-Y268 HydrophobicContact CB-CD1 4.31Å; L211-Y268 HydrophobicContact CD1-CD1 4.26Å; L211-I270 HydrophobicContact CD2-CD1 3.44Å; L211-I270 VanDerWaalsContact CD2-CD1 3.44Å; L211-I270 HydrophobicContact CD2-CG1 3.76Å
212	D	93.7	Very high	91.7	Very high	14 Å²	14	52.1 Å²	52.1	8%	0.075	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-82.6	138.9	173	-176.8	40.4	0	0	0	111.3	L72 Q73 L74 M208 S214 R237	L72-D212 PolarHBondContact O-N 3.48Å; Q73-D212 CarbonylContact C-O 3.53Å; Q73-D212 WeakPolarHBondContact CA-O 3.49Å; Q73-D212 HydrophobicContact CB-CB 3.99Å; Q73-D212 HydrophobicContact CG-CB 3.95Å; Q73-D212 WeakPolarHBondContact CG-OD2 3.4Å; Q73-D212 PolarHBondContact NE2-OD2 3.15Å; L74-D212 PolarHBondContact N-O 2.89Å; M208-D212 HydrophobicContact CE-CB 3.95Å; D212-S214 VanDerWaalsContact CG-OG 3.29Å; D212-S214 WeakPolarHBondContact OD1-CB 3.5Å; D212-S214 PolarHBondContact OD1-N 2.86Å; D212-S214 PolarHBondContact OD1-OG 3.37Å; D212-S214 WeakPolarHBondContact OD2-CB 3.14Å; D212-S214 PolarHBondContact OD2-N 2.9Å; D212-S214 PolarHBondContact OD2-OG 3.17Å; D212-S214 VanDerWaalsContact OD2-OG 3.13Å; D212-R237 IonicContact OD1-NH2 2.71Å
213	F	94.3	Very high	92.1	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.022	30%	0.301	C	S	.	.			trans	-120.4	8.5	179.2	-73.3	-101.4	0	0	0	111.7	L74 L211 D215 Y216 T224 R230	L74-F213 HydrophobicContact CD2-CD1 4.38Å; L74-F213 HydrophobicContact CD2-CE1 3.69Å; L74-F213 HydrophobicContact CD2-CZ 4.07Å; L211-F213 HydrophobicContact CB-CD2 4.43Å; L211-F213 HydrophobicContact CB-CE2 3.85Å; L211-F213 HydrophobicContact CD2-CE2 3.86Å; L211-F213 HydrophobicContact CD2-CZ 3.83Å; L211-F213 HydrophobicContact CG-CD2 4.49Å; L211-F213 HydrophobicContact CG-CE2 3.97Å; L211-F213 HydrophobicContact CG-CZ 4.42Å; L211-F213 WeakPolarHBondContact O-CD2 3.41Å; F213-D215 PolarHBondContact O-N 2.88Å; F213-D215 VanDerWaalsContact O-N 3.07Å; F213-Y216 AromaticContact CD1-CD1 3.94Å; F213-Y216 HydrophobicContact CD1-CD1 3.94Å; F213-Y216 HydrophobicContact CD1-CD2 4.04Å; F213-Y216 HydrophobicContact CD1-CE1 4.45Å; F213-Y216 AromaticContact CD1-CG 3.71Å; F213-Y216 HydrophobicContact CD1-CG 3.71Å; F213-Y216 HydrophobicContact CE1-CD2 4.43Å; F213-Y216 HydrophobicContact CE1-CG 4.44Å; F213-Y216 WeakPolarHBondContact O-CB 3.49Å; F213-Y216 PolarHBondContact O-N 3.34Å; F213-T224 HydrophobicContact CE1-CG2 4.15Å; F213-T224 WeakPolarHBondContact CE1-OG1 3.27Å; F213-R230 WeakPolarHBondContact O-CD 3.41Å; F213-R230 WeakPolarHBondContact O-CG 3.41Å; F213-R230 PolarHBondContact O-NE 3.49Å
214	S	91.2	Very high	92.5	Very high	54 Å²	54	51.3 Å²	51.3	38%	0.378	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.7	-174.2	-61	0	0	0	0	113.8	D212 R230	D212-S214 VanDerWaalsContact CG-OG 3.29Å; D212-S214 WeakPolarHBondContact OD1-CB 3.5Å; D212-S214 PolarHBondContact OD1-N 2.86Å; D212-S214 PolarHBondContact OD1-OG 3.37Å; D212-S214 WeakPolarHBondContact OD2-CB 3.14Å; D212-S214 PolarHBondContact OD2-N 2.9Å; D212-S214 PolarHBondContact OD2-OG 3.17Å; D212-S214 VanDerWaalsContact OD2-OG 3.13Å; S214-R230 PolarHBondContact O-NE 3.14Å; S214-R230 PolarHBondContact O-NH2 3.07Å
215	D	91.9	Very high	92.7	Very high	83 Å²	83	48.7 Å²	48.7	44%	0.444	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	17.5	175.7	-68.7	-62.7	0	0	0	114.1	Q73 F75 F213	Q73-D215 PolarHBondContact NE2-OD2 3.26Å; F75-D215 HydrophobicContact CD2-CB 4.27Å; F75-D215 WeakPolarHBondContact CD2-O 3.34Å; F213-D215 PolarHBondContact O-N 2.88Å; F213-D215 VanDerWaalsContact O-N 3.07Å
216	Y	94.8	Very high	92.7	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.012	22%	0.221	C	C	.	.			trans	-65.8	134.9	-174.6	-176.8	-119.4	0	0	0	113.5	L74 I77 F213 P218 E227 R230	L74-Y216 HydrophobicContact CD2-CD2 4.07Å; L74-Y216 HydrophobicContact CD2-CE2 3.8Å; L74-Y216 HydrophobicContact CG-CD2 3.95Å; L74-Y216 HydrophobicContact CG-CE2 4.01Å; I77-Y216 HydrophobicContact CG1-CE2 4.19Å; F213-Y216 AromaticContact CD1-CD1 3.94Å; F213-Y216 HydrophobicContact CD1-CD1 3.94Å; F213-Y216 HydrophobicContact CD1-CD2 4.04Å; F213-Y216 HydrophobicContact CD1-CE1 4.45Å; F213-Y216 AromaticContact CD1-CG 3.71Å; F213-Y216 HydrophobicContact CD1-CG 3.71Å; F213-Y216 HydrophobicContact CE1-CD2 4.43Å; F213-Y216 HydrophobicContact CE1-CG 4.44Å; F213-Y216 WeakPolarHBondContact O-CB 3.49Å; F213-Y216 PolarHBondContact O-N 3.34Å; Y216-P218 HydrophobicContact CE1-CB 4.5Å; Y216-E227 HydrophobicContact CD1-CB 4.26Å; Y216-E227 HydrophobicContact CD1-CG 4.33Å; Y216-E227 HydrophobicContact CE1-CB 4.16Å; Y216-E227 HydrophobicContact CE1-CG 4.23Å; Y216-R230 PolarHBondContact O-NH1 3.16Å
217	V	95	Very high	92.7	Very high	61 Å²	61	41.4 Å²	41.4	37%	0.37	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-98.5	114.7	168.2	-178.7	0	0	0	0	108.6	F75 Q76	F75-V217 HydrophobicContact CE1-CG2 4.15Å; F75-V217 HydrophobicContact CE2-CG2 4.43Å; F75-V217 HydrophobicContact CZ-CG2 4.02Å; F75-V217 PolarHBondContact O-N 3.45Å; Q76-V217 HydrophobicContact CG-CB 4.36Å
218	P	94	Very high	92.5	Very high	67 Å²	67	43.9 Å²	43.9	44%	0.435	22%	0.224	S	C	.	.			trans	-56.5	143.4	179.8	-27.3	35.9	0	0	0	113.7	Y216	Y216-P218 HydrophobicContact CE1-CB 4.5Å
219	S	92.6	Very high	92.4	Very high	33 Å²	33	43.7 Å²	43.7	23%	0.231	22%	0.223	C	C	.	.			trans	-91.7	140.1	172.6	175.8	0	0	0	0	110.7	E221 W222	S219-E221 PolarHBondContact O-N 3.02Å; S219-E221 PolarHBondContact OG-N 3.2Å; S219-W222 PolarHBondContact OG-N 3.4Å
220	N	91.2	Very high	92	Very high	153 Å²	153	48.1 Å²	48.1	82%	0.818	24%	0.24	S	C	*	.	S	Bend	trans	-65	-27.6	176.3	-67.3	-28.7	0	0	0	112.5	N275	N220-N275 PolarHBondContact O-ND2 3.15Å
221	E	91.6	Very high	91.7	Very high	56 Å²	56	56.5 Å²	56.5	26%	0.262	28%	0.28	S	S	.	.	S	Bend	trans	-97.9	-42.8	179.1	-175.7	178.8	-156.3	0	0	112.5	S219 R274 N275	S219-E221 PolarHBondContact O-N 3.02Å; S219-E221 PolarHBondContact OG-N 3.2Å; E221-R274 HydrophobicContact CG-CG 4.06Å; E221-R274 CarbonylContact O-C 3.6Å; E221-R274 IonicContact OE1-CZ 3.4Å; E221-R274 IonicContact OE1-NH1 3.7Å; E221-R274 PolarHBondContact OE1-NH1 3.28Å; E221-N275 WeakPolarHBondContact O-CB 3.49Å; E221-N275 PolarHBondContact O-N 3.26Å
222	W	93.6	Very high	91.4	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108.7	-166.9	-65.7	101.1	0	0	0	112.6	I77 L80 Q177 S219 L272 R274	I77-W222 HydrophobicContact CD1-CB 4.46Å; L80-W222 HydrophobicContact CB-CZ2 4.09Å; L80-W222 HydrophobicContact CD2-CH2 3.73Å; L80-W222 HydrophobicContact CD2-CZ2 3.67Å; L80-W222 HydrophobicContact CD2-CZ3 4.38Å; L80-W222 HydrophobicContact CG-CZ2 4.36Å; Q177-W222 HydrophobicContact CG-CH2 4.09Å; Q177-W222 HydrophobicContact CG-CZ3 4.11Å; S219-W222 PolarHBondContact OG-N 3.4Å; W222-L272 HydrophobicContact CD2-CB 4.47Å; W222-L272 HydrophobicContact CE3-CB 3.65Å; W222-L272 HydrophobicContact CZ3-CB 4.04Å; W222-R274 HydrophobicContact CE3-CB 4.3Å; W222-R274 HydrophobicContact CH2-CB 4.17Å; W222-R274 HydrophobicContact CH2-CG 4.32Å; W222-R274 VanDerWaalsContact CH2-CZ 3.47Å; W222-R274 HydrophobicContact CZ3-CB 3.85Å; W222-R274 HydrophobicContact CZ3-CG 4.38Å
223	R	93.1	Very high	91.1	Very high	141 Å²	141	60.6 Å²	60.6	53%	0.532	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	142.1	170	-69.4	177.9	176.1	146.1	0.6	110	R273	R223-R273 PolarHBondContact N-O 2.66Å; R223-R273 PolarHBondContact O-N 3.05Å
224	T	93.5	Very high	90.9	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	162	177.6	71.9	0	0	0	0	111.4	I77 F213 E227 L272	I77-T224 HydrophobicContact CD1-CG2 3.64Å; F213-T224 HydrophobicContact CE1-CG2 4.15Å; F213-T224 WeakPolarHBondContact CE1-OG1 3.27Å; T224-E227 PolarHBondContact N-OE2 3.25Å; T224-E227 WeakPolarHBondContact OG1-CB 3.28Å; T224-E227 PolarHBondContact OG1-N 3.45Å; T224-E227 VanDerWaalsContact OG1-N 3.1Å; T224-L272 HydrophobicContact CG2-CD2 3.75Å
225	D	90.4	Very high	90.7	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-71	-33.6	171.2	-70.7	-43.7	0	0	0	112.1	E227 K228 I239 Q240 R271 R273	D225-E227 VanDerWaalsContact C-N 3.32Å; D225-E227 PolarHBondContact O-N 2.93Å; D225-K228 WeakPolarHBondContact O-CB 3.25Å; D225-K228 PolarHBondContact O-N 2.86Å; D225-K228 VanDerWaalsContact O-N 3.16Å; D225-I239 HydrophobicContact CB-CB 4.35Å; D225-I239 HydrophobicContact CB-CG2 3.76Å; D225-I239 VanDerWaalsContact OD1-CG2 3.26Å; D225-I239 WeakPolarHBondContact OD1-CG2 3.49Å; D225-Q240 HydrophobicContact CB-CG 4.39Å; D225-R271 WeakPolarHBondContact OD2-CB 3.46Å; D225-R271 VanDerWaalsContact OD2-CD 3.26Å; D225-R271 WeakPolarHBondContact OD2-CD 3.25Å; D225-R271 IonicContact OD2-CZ 2.63Å; D225-R271 IonicContact OD2-NE 3.2Å; D225-R271 IonicContact OD2-NH1 2.96Å; D225-R271 PolarHBondContact OD2-NH1 3.25Å; D225-R273 IonicContact OD1-CZ 3.81Å; D225-R273 IonicContact OD1-NH1 2.68Å; D225-R273 PolarHBondContact OD1-NH1 2.96Å; D225-R273 IonicContact OD1-NH2 2.74Å; D225-R273 PolarHBondContact OD1-NH2 3.37Å; D225-R273 IonicContact OD2-NH1 2.77Å
226	G	88.1	Confident	90.7	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-71.8	-23.5	-179	0	0	0	0	0	115.1	K228 E229 R230 Q240	G226-K228 PolarHBondContact O-N 3.44Å; G226-E229 CarbonylContact O-C 3.47Å; G226-E229 PolarHBondContact O-N 3.48Å; G226-R230 PolarHBondContact O-N 3.25Å; G226-Q240 VanDerWaalsContact CA-CD 3.5Å; G226-Q240 VanDerWaalsContact CA-NE2 3.32Å
227	E	91	Very high	90.4	Very high	65 Å²	65	63 Å²	63	30%	0.304	31%	0.311	S	S	.	.	H	α-helix	trans	-56.6	-36.4	168	-174.7	-176.5	162	0	0	112.3	Y216 T224 D225	Y216-E227 HydrophobicContact CD1-CB 4.26Å; Y216-E227 HydrophobicContact CD1-CG 4.33Å; Y216-E227 HydrophobicContact CE1-CB 4.16Å; Y216-E227 HydrophobicContact CE1-CG 4.23Å; T224-E227 PolarHBondContact N-OE2 3.25Å; T224-E227 WeakPolarHBondContact OG1-CB 3.28Å; T224-E227 PolarHBondContact OG1-N 3.45Å; T224-E227 VanDerWaalsContact OG1-N 3.1Å; D225-E227 VanDerWaalsContact C-N 3.32Å; D225-E227 PolarHBondContact O-N 2.93Å
228	K	88	Confident	90.1	Very high	141 Å²	141	66 Å²	66	61%	0.613	33%	0.33	S	S	*	.	H	α-helix	trans	-78.6	-26.2	177.7	-60.2	178.5	-179	173.6	0	113.6	D225 G226 I239	D225-K228 WeakPolarHBondContact O-CB 3.25Å; D225-K228 PolarHBondContact O-N 2.86Å; D225-K228 VanDerWaalsContact O-N 3.16Å; G226-K228 PolarHBondContact O-N 3.44Å; K228-I239 HydrophobicContact CB-CD1 4.48Å; K228-I239 HydrophobicContact CD-CD1 4.31Å
229	E	89.4	Confident	89.9	Confident	7 Å²	7	66 Å²	66	3%	0.033	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	18.7	-175.6	-68.9	-172.6	136.9	0	0	112.5	G226 E231 V232 R237 T238 I239 Q240	G226-E229 CarbonylContact O-C 3.47Å; G226-E229 PolarHBondContact O-N 3.48Å; E229-E231 PolarHBondContact O-N 3.15Å; E229-V232 HydrophobicContact CB-CB 4.14Å; E229-V232 HydrophobicContact CB-CG2 4.27Å; E229-V232 HydrophobicContact CG-CG2 4.42Å; E229-V232 WeakPolarHBondContact O-CB 3.45Å; E229-V232 PolarHBondContact O-N 2.98Å; E229-R237 HydrophobicContact CB-CG 4.28Å; E229-R237 WeakPolarHBondContact OE1-CA 3.4Å; E229-T238 PolarHBondContact OE1-N 3.35Å; E229-I239 HydrophobicContact CG-CB 4.27Å; E229-I239 HydrophobicContact CG-CD1 4.15Å; E229-I239 HydrophobicContact CG-CG1 4.24Å; E229-I239 WeakPolarHBondContact OE1-CG1 3.45Å; E229-I239 PolarHBondContact OE1-N 3.21Å; E229-I239 PolarHBondContact OE2-N 2.97Å; E229-Q240 WeakPolarHBondContact OE2-CB 3.5Å; E229-Q240 WeakPolarHBondContact OE2-CG 3.46Å; E229-Q240 PolarHBondContact OE2-N 3.34Å
230	R	87.2	Confident	89.8	Confident	95 Å²	95	65.1 Å²	65.1	36%	0.358	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-47.6	-178.9	177.1	174	-174.9	161.8	6.9	112.8	F213 S214 Y216 G226 V232	F213-R230 WeakPolarHBondContact O-CD 3.41Å; F213-R230 WeakPolarHBondContact O-CG 3.41Å; F213-R230 PolarHBondContact O-NE 3.49Å; S214-R230 PolarHBondContact O-NE 3.14Å; S214-R230 PolarHBondContact O-NH2 3.07Å; Y216-R230 PolarHBondContact O-NH1 3.16Å; G226-R230 PolarHBondContact O-N 3.25Å; R230-V232 VanDerWaalsContact C-N 3.31Å
231	E	86.4	Confident	89.8	Confident	196 Å²	196	59 Å²	59	92%	0.916	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.3	-180	-62.6	176.9	-172.8	0	0	112.7	E229	E229-E231 PolarHBondContact O-N 3.15Å
232	V	88.5	Confident	89.8	Confident	51 Å²	51	62.5 Å²	62.5	31%	0.309	30%	0.295	S	S	.	.	S	Bend	trans	-88.7	121.6	-177.9	-177.4	0	0	0	0	109.7	E229 R230 N236 R237	E229-V232 HydrophobicContact CB-CB 4.14Å; E229-V232 HydrophobicContact CB-CG2 4.27Å; E229-V232 HydrophobicContact CG-CG2 4.42Å; E229-V232 WeakPolarHBondContact O-CB 3.45Å; E229-V232 PolarHBondContact O-N 2.98Å; R230-V232 VanDerWaalsContact C-N 3.31Å; V232-N236 HydrophobicContact CG1-CB 3.88Å; V232-R237 HydrophobicContact CB-CG 4.4Å; V232-R237 HydrophobicContact CG1-CG 4.11Å; V232-R237 PolarHBondContact O-NE 3.44Å; V232-R237 PolarHBondContact O-NH2 3.33Å
233	H	88.2	Confident	89.9	Confident	52 Å²	52	62.6 Å²	62.6	24%	0.241	30%	0.297	C	S	.	.			trans	-56.3	139.9	175.2	-170.7	-93.9	0	0	0	111	S202 P204 V235 N236	S202-H233 PolarHBondContact OG-NE2 2.9Å; P204-H233 VanDerWaalsContact CD-CE1 3.46Å; P204-H233 WeakPolarHBondContact CD-CE1 3.27Å; H233-V235 VanDerWaalsContact C-N 3.27Å; H233-V235 PolarHBondContact O-N 3.09Å; H233-V235 VanDerWaalsContact O-N 3.08Å; H233-N236 PolarHBondContact O-N 2.81Å
234	H	88.7	Confident	89.9	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.028	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-58.2	-32.6	-163.1	66.3	-86.4	0	0	0	115.3	P200 E206 E207 M208 Y210 N236 R237	P200-H234 VanDerWaalsContact CG-CE1 3.48Å; P200-H234 WeakPolarHBondContact CG-CE1 3.21Å; E206-H234 PolarHBondContact O-NE2 2.96Å; E207-H234 PolarHBondContact O-CD2 2.85Å; M208-H234 HydrophobicContact CB-CB 4.32Å; M208-H234 HydrophobicContact CG-CB 3.7Å; M208-H234 HydrophobicContact SD-CB 3.98Å; Y210-H234 HydrophobicContact CD2-CB 4.36Å; H234-N236 VanDerWaalsContact C-N 3.26Å; H234-N236 PolarHBondContact O-N 3.29Å; H234-R237 PolarHBondContact O-N 2.98Å
235	V	88.6	Confident	89.9	Confident	60 Å²	60	59.8 Å²	59.8	36%	0.364	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-63.8	-29.2	176.1	-178.6	0	0	0	0	112.8	P204 E206 H233	P204-V235 HydrophobicContact CG-CG2 3.93Å; E206-V235 HydrophobicContact CB-CG2 4.03Å; E206-V235 HydrophobicContact CG-CG2 4.35Å; H233-V235 VanDerWaalsContact C-N 3.27Å; H233-V235 PolarHBondContact O-N 3.09Å; H233-V235 VanDerWaalsContact O-N 3.08Å
236	N	90.1	Very high	90.1	Very high	114 Å²	114	64.3 Å²	64.3	61%	0.61	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-95	7.3	-177.4	-65.2	-13.5	0	0	0	113.3	V232 H233 H234	V232-N236 HydrophobicContact CG1-CB 3.88Å; H233-N236 PolarHBondContact O-N 2.81Å; H234-N236 VanDerWaalsContact C-N 3.26Å; H234-N236 PolarHBondContact O-N 3.29Å
237	R	90.2	Very high	90.3	Very high	17 Å²	17	67.3 Å²	67.3	6%	0.064	32%	0.323	C	S	.	.			trans	-79.2	129.8	-178.9	-67	-179.7	178.7	179.3	4.7	111.1	Y210 L211 D212 E229 V232 H234	Y210-R237 HydrophobicContact CE1-CB 4.38Å; L211-R237 PolarHBondContact O-NH1 3.28Å; D212-R237 IonicContact OD1-NH2 2.71Å; E229-R237 HydrophobicContact CB-CG 4.28Å; E229-R237 WeakPolarHBondContact OE1-CA 3.4Å; V232-R237 HydrophobicContact CB-CG 4.4Å; V232-R237 HydrophobicContact CG1-CG 4.11Å; V232-R237 PolarHBondContact O-NE 3.44Å; V232-R237 PolarHBondContact O-NH2 3.33Å; H234-R237 PolarHBondContact O-N 2.98Å
238	T	88.7	Confident	90.3	Very high	124 Å²	124	68 Å²	68	76%	0.761	32%	0.323	S	S	*	.			trans	-129.6	-21.4	-174.5	58.3	0	0	0	0	113.4	E229	E229-T238 PolarHBondContact OE1-N 3.35Å
239	I	88.5	Confident	90.4	Very high	65 Å²	65	69.9 Å²	69.9	33%	0.333	33%	0.326	S	S	.	.	S	Bend	trans	-90.8	-39.6	-178.9	-45.4	177.1	0	0	0	110.7	D225 K228 E229 R271	D225-I239 HydrophobicContact CB-CB 4.35Å; D225-I239 HydrophobicContact CB-CG2 3.76Å; D225-I239 VanDerWaalsContact OD1-CG2 3.26Å; D225-I239 WeakPolarHBondContact OD1-CG2 3.49Å; K228-I239 HydrophobicContact CB-CD1 4.48Å; K228-I239 HydrophobicContact CD-CD1 4.31Å; E229-I239 HydrophobicContact CG-CB 4.27Å; E229-I239 HydrophobicContact CG-CD1 4.15Å; E229-I239 HydrophobicContact CG-CG1 4.24Å; E229-I239 WeakPolarHBondContact OE1-CG1 3.45Å; E229-I239 PolarHBondContact OE1-N 3.21Å; E229-I239 PolarHBondContact OE2-N 2.97Å; I239-R271 PolarHBondContact O-NH1 3.11Å
240	Q	91.5	Very high	90.5	Very high	16 Å²	16	77.1 Å²	77.1	8%	0.075	35%	0.353	C	S	.	.	S	Bend	trans	-62.6	135.6	174.2	-76.1	-178.2	54.4	0	0	112.4	Y210 L211 D225 G226 E229 R242	Y210-Q240 HydrophobicContact CD1-CB 3.92Å; Y210-Q240 HydrophobicContact CE1-CB 4.31Å; L211-Q240 PolarHBondContact O-OE1 3.27Å; D225-Q240 HydrophobicContact CB-CG 4.39Å; G226-Q240 VanDerWaalsContact CA-CD 3.5Å; G226-Q240 VanDerWaalsContact CA-NE2 3.32Å; E229-Q240 WeakPolarHBondContact OE2-CB 3.5Å; E229-Q240 WeakPolarHBondContact OE2-CG 3.46Å; E229-Q240 PolarHBondContact OE2-N 3.34Å; Q240-R242 PolarHBondContact O-N 3.42Å
241	I	90.2	Very high	90.5	Very high	24 Å²	24	76.3 Å²	76.3	12%	0.123	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-66.8	125.7	171.4	-55.5	-179.2	0	0	0	108.8	I178 L269 R271 V598	I178-I241 HydrophobicContact CD1-CD1 4.21Å; I178-I241 HydrophobicContact CG1-CD1 4.35Å; I178-I241 HydrophobicContact CG2-CD1 4.06Å; I241-L269 HydrophobicContact CB-CB 4.2Å; I241-L269 HydrophobicContact CG2-CB 3.82Å; I241-L269 HydrophobicContact CG2-CD1 3.69Å; I241-L269 HydrophobicContact CG2-CG 4.41Å; I241-R271 HydrophobicContact CD1-CB 3.91Å; I241-R271 HydrophobicContact CG1-CB 4.42Å; I241-V598 HydrophobicContact CD1-CG2 4.29Å
242	R	92.4	Very high	90.5	Very high	129 Å²	129	71 Å²	71	49%	0.487	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-64.2	133.8	173.8	-167.6	176.1	-177.4	89	-7.2	109.9	P209 Y210 Q240	P209-R242 HydrophobicContact CB-CG 4.27Å; P209-R242 HydrophobicContact CG-CG 3.99Å; P209-R242 VanDerWaalsContact CG-CZ 3.42Å; Y210-R242 HydrophobicContact CE1-CB 4.06Å; Y210-R242 HydrophobicContact CE1-CG 4.33Å; Y210-R242 PolarHBondContact OH-NH1 2.94Å; Y210-R242 VanDerWaalsContact OH-NH1 3.15Å; Q240-R242 PolarHBondContact O-N 3.42Å
243	S	94.3	Very high	90.4	Very high	5 Å²	5	74 Å²	74	4%	0.035	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-84.6	145.7	-179.1	-60.2	0	0	0	0	110.7	W197 P209 R267 L269	W197-S243 VanDerWaalsContact CH2-CB 3.46Å; W197-S243 VanDerWaalsContact CZ2-O 3.24Å; W197-S243 WeakPolarHBondContact CZ2-O 3.42Å; P209-S243 VanDerWaalsContact O-CB 3.26Å; P209-S243 WeakPolarHBondContact O-CB 3.43Å; P209-S243 PolarHBondContact O-N 2.68Å; P209-S243 PolarHBondContact O-OG 3.34Å; S243-R267 WeakPolarHBondContact CA-O 3.48Å; S243-R267 VanDerWaalsContact CB-O 3.26Å; S243-R267 WeakPolarHBondContact CB-O 3.24Å; S243-L269 PolarHBondContact OG-N 3.07Å
244	V	94.1	Very high	90.3	Very high	25 Å²	25	75.5 Å²	75.5	15%	0.152	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.1	-164	-178.7	0	0	0	0	111.7	R267 L269	V244-R267 PolarHBondContact N-O 3.45Å; V244-R267 VanDerWaalsContact O-CB 3.32Å; V244-R267 WeakPolarHBondContact O-CB 3.36Å; V244-R267 PolarHBondContact O-N 2.68Å; V244-L269 HydrophobicContact CG2-CD1 4.36Å
245	K	94.4	Very high	90.3	Very high	59 Å²	59	78.6 Å²	78.6	26%	0.257	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	105.7	173.3	178.2	169.8	177.2	172.4	0	109.9	D194 I195 W197 V265 L266	D194-K245 IonicContact OD1-NZ 3.78Å; D194-K245 PolarHBondContact OD1-NZ 3.42Å; D194-K245 IonicContact OD2-NZ 2.68Å; D194-K245 PolarHBondContact OD2-NZ 2.83Å; I195-K245 VanDerWaalsContact O-CE 3.3Å; I195-K245 WeakPolarHBondContact O-CE 3.46Å; I195-K245 PolarHBondContact O-NZ 3.31Å; W197-K245 HydrophobicContact CZ2-CB 4.04Å; K245-V265 CarbonylContact C-O 3.46Å; K245-V265 WeakPolarHBondContact CA-O 3.4Å; K245-L266 HydrophobicContact CB-CD2 3.82Å; K245-L266 HydrophobicContact CD-CD2 3.94Å; K245-L266 HydrophobicContact CG-CD2 3.81Å
246	K	93	Very high	90.2	Very high	99 Å²	99	83.9 Å²	83.9	43%	0.43	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	144.7	179.3	-168.8	158.8	-168.8	153.4	0	111.4	V265	K246-V265 PolarHBondContact N-O 3.15Å; K246-V265 WeakPolarHBondContact O-CB 3.43Å; K246-V265 PolarHBondContact O-N 3.48Å
247	H	92.4	Very high	90.1	Very high	63 Å²	63	85.3 Å²	85.3	29%	0.292	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.2	171.4	-65.5	88.6	0	0	0	109.8	K190 E262 Y263	K190-H247 WeakPolarHBondContact CE-NE2 3.34Å; K190-H247 PolarHBondContact NZ-CD2 2.9Å; K190-H247 PolarHBondContact NZ-NE2 3.35Å; H247-E262 IonicContact CD2-OE2 3.85Å; H247-Y263 WeakPolarHBondContact CA-O 3.3Å
248	R	90.9	Very high	90.1	Very high	80 Å²	80	89.1 Å²	89.1	30%	0.302	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.5	172	-73.8	-172.5	177.2	-165.6	-10	109.4	Y130 E182 Y263 V265	Y130-R248 VanDerWaalsContact CD2-NH1 3.28Å; E182-R248 IonicContact OE1-CZ 2.79Å; E182-R248 IonicContact OE1-NE 2.63Å; E182-R248 IonicContact OE1-NH2 3.51Å; E182-R248 PolarHBondContact OE1-NH2 2.95Å; E182-R248 IonicContact OE2-CZ 3.01Å; E182-R248 IonicContact OE2-NH2 3.44Å; E182-R248 PolarHBondContact OE2-NH2 3.47Å; R248-Y263 PolarHBondContact N-O 3.13Å; R248-Y263 PolarHBondContact O-N 3.34Å; R248-V265 HydrophobicContact CB-CG2 4.43Å; R248-V265 HydrophobicContact CG-CG2 3.87Å
249	R	91.7	Very high	90.1	Very high	181 Å²	181	86.1 Å²	86.1	68%	0.683	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.2	173.3	-67.6	-176.5	175.4	149.1	4.9	110.3	T260 R261 E262	R249-T260 HydrophobicContact CB-CG2 4.36Å; R249-R261 WeakPolarHBondContact CA-O 3.5Å; R249-E262 HydrophobicContact CG-CG 4.22Å; R249-E262 IonicContact CZ-OE1 3.07Å; R249-E262 IonicContact NE-OE1 2.65Å; R249-E262 PolarHBondContact NE-OE1 3.04Å; R249-E262 IonicContact NH2-OE1 2.66Å; R249-E262 PolarHBondContact NH2-OE1 3.22Å
250	R	90	Very high	90.3	Very high	159 Å²	159	86.5 Å²	86.5	60%	0.6	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	116	172.1	-68.9	-63.5	-164.9	176	3.5	109.3	R261 Y263	R250-R261 PolarHBondContact N-O 3.01Å; R250-R261 PolarHBondContact O-N 3.46Å; R250-Y263 HydrophobicContact CB-CD2 4.43Å; R250-Y263 HydrophobicContact CB-CE2 4.14Å; R250-Y263 HydrophobicContact CG-CD2 4.32Å; R250-Y263 HydrophobicContact CG-CE2 4.35Å
251	S	88.7	Confident	90.3	Very high	78 Å²	78	89.4 Å²	89.4	55%	0.545	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.8	171.9	-52	0	0	0	0	109.8	I259 T260	S251-I259 CarbonylContact C-O 3.47Å; S251-I259 WeakPolarHBondContact CA-O 3.47Å; S251-T260 WeakPolarHBondContact CB-OG1 3.47Å; S251-T260 PolarHBondContact OG-OG1 2.98Å
252	Q	85.4	Confident	90.5	Very high	84 Å²	84	90.4 Å²	90.4	39%	0.393	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.8	177.9	-64.6	174.9	6.4	0	0	108.6	V254 I259 R261	Q252-V254 PolarHBondContact O-N 3.34Å; Q252-I259 PolarHBondContact N-O 3.21Å; Q252-I259 PolarHBondContact O-N 2.85Å; Q252-R261 VanDerWaalsContact OE1-NH1 3.14Å
253	T	86.3	Confident	90.6	Very high	115 Å²	115	85.9 Å²	85.9	71%	0.706	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	116.1	171.6	45.1	0	0	0	0	109.7	E257 V258	T253-E257 CarbonylContact C-O 3.47Å; T253-E257 WeakPolarHBondContact CA-O 3.39Å; T253-V258 HydrophobicContact CG2-CG2 4.15Å
254	V	85.9	Confident	90.7	Very high	82 Å²	82	85.7 Å²	85.7	50%	0.497	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	101.3	175.6	-177.2	0	0	0	0	107.5	Q252 N256 E257 I259	Q252-V254 PolarHBondContact O-N 3.34Å; V254-N256 PolarHBondContact O-N 3.42Å; V254-E257 PolarHBondContact N-O 2.89Å; V254-E257 PolarHBondContact O-N 3.34Å; V254-I259 HydrophobicContact CB-CD1 4.09Å; V254-I259 HydrophobicContact CG2-CD1 4.03Å
255	G	87.9	Confident	90.8	Very high	71 Å²	71	84.5 Å²	84.5	73%	0.732	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	-125.9	-164.4	0	0	0	0	0	110.4
256	N	87.2	Confident	90.9	Very high	172 Å²	172	81.7 Å²	81.7	92%	0.92	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.9	179.2	-67.1	-5	0	0	0	113.8	V254	V254-N256 PolarHBondContact O-N 3.42Å
257	E	88.3	Confident	91	Very high	143 Å²	143	78.5 Å²	78.5	67%	0.668	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.4	-174.6	-65	-173.4	175.3	0	0	112.5	T253 V254	T253-E257 CarbonylContact C-O 3.47Å; T253-E257 WeakPolarHBondContact CA-O 3.39Å; V254-E257 PolarHBondContact N-O 2.89Å; V254-E257 PolarHBondContact O-N 3.34Å
258	V	89.3	Confident	91.2	Very high	98 Å²	98	75.5 Å²	75.5	59%	0.594	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	93.2	177.4	-176.7	0	0	0	0	109.6	T253 T260	T253-V258 HydrophobicContact CG2-CG2 4.15Å; V258-T260 PolarHBondContact O-N 3.45Å
259	I	89.6	Confident	91.3	Very high	60 Å²	60	72.1 Å²	72.1	31%	0.308	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.9	179.6	-56.3	-179.9	0	0	0	109	S251 Q252 V254 R261	S251-I259 CarbonylContact C-O 3.47Å; S251-I259 WeakPolarHBondContact CA-O 3.47Å; Q252-I259 PolarHBondContact N-O 3.21Å; Q252-I259 PolarHBondContact O-N 2.85Å; V254-I259 HydrophobicContact CB-CD1 4.09Å; V254-I259 HydrophobicContact CG2-CD1 4.03Å; I259-R261 HydrophobicContact CG2-CG 4.46Å
260	T	92.3	Very high	91.4	Very high	74 Å²	74	63.8 Å²	63.8	45%	0.454	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.4	176.2	-58.7	0	0	0	0	110.9	R249 S251 V258	R249-T260 HydrophobicContact CB-CG2 4.36Å; S251-T260 WeakPolarHBondContact CB-OG1 3.47Å; S251-T260 PolarHBondContact OG-OG1 2.98Å; V258-T260 PolarHBondContact O-N 3.45Å
261	R	92	Very high	91.6	Very high	76 Å²	76	58 Å²	58	29%	0.287	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.7	176.6	-69.9	179.1	171	103.9	6.9	111.2	D189 R249 R250 Q252 I259 Y263	D189-R261 HydrophobicContact CB-CB 4.1Å; D189-R261 HydrophobicContact CB-CG 4.36Å; D189-R261 WeakPolarHBondContact OD2-CD 3.45Å; D189-R261 WeakPolarHBondContact OD2-CG 3.36Å; D189-R261 IonicContact OD2-NE 3.65Å; D189-R261 PolarHBondContact OD2-NE 3.08Å; R249-R261 WeakPolarHBondContact CA-O 3.5Å; R250-R261 PolarHBondContact N-O 3.01Å; R250-R261 PolarHBondContact O-N 3.46Å; Q252-R261 VanDerWaalsContact OE1-NH1 3.14Å; I259-R261 HydrophobicContact CG2-CG 4.46Å; R261-Y263 HydrophobicContact CB-CD2 4.36Å; R261-Y263 HydrophobicContact CB-CE2 3.65Å; R261-Y263 WeakPolarHBondContact CD-OH 3.46Å
262	E	94.4	Very high	91.9	Very high	45 Å²	45	54.2 Å²	54.2	21%	0.21	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.8	169.2	-58	-155.3	136.7	0	0	110.2	K190 H247 R249	K190-E262 HydrophobicContact CB-CB 4.3Å; K190-E262 VanDerWaalsContact CB-O 3.23Å; K190-E262 WeakPolarHBondContact CB-O 3.32Å; K190-E262 HydrophobicContact CD-CB 4.03Å; K190-E262 WeakPolarHBondContact CD-OE2 3.48Å; K190-E262 PolarHBondContact N-O 3.22Å; K190-E262 IonicContact NZ-OE2 3.85Å; K190-E262 PolarHBondContact NZ-OE2 3.36Å; H247-E262 IonicContact CD2-OE2 3.85Å; R249-E262 HydrophobicContact CG-CG 4.22Å; R249-E262 IonicContact CZ-OE1 3.07Å; R249-E262 IonicContact NE-OE1 2.65Å; R249-E262 PolarHBondContact NE-OE1 3.04Å; R249-E262 IonicContact NH2-OE1 2.66Å; R249-E262 PolarHBondContact NH2-OE1 3.22Å
263	Y	94.4	Very high	92.2	Very high	34 Å²	34	52.9 Å²	52.9	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.6	174.2	-67	-92.8	0	0	0	109.5	Y188 D189 H247 R248 R250 R261	Y188-Y263 VanDerWaalsContact O-CD1 3.25Å; Y188-Y263 WeakPolarHBondContact O-CD1 3.28Å; D189-Y263 HydrophobicContact CB-CD1 4.32Å; D189-Y263 HydrophobicContact CB-CE1 3.98Å; H247-Y263 WeakPolarHBondContact CA-O 3.3Å; R248-Y263 PolarHBondContact N-O 3.13Å; R248-Y263 PolarHBondContact O-N 3.34Å; R250-Y263 HydrophobicContact CB-CD2 4.43Å; R250-Y263 HydrophobicContact CB-CE2 4.14Å; R250-Y263 HydrophobicContact CG-CD2 4.32Å; R250-Y263 HydrophobicContact CG-CE2 4.35Å; R261-Y263 HydrophobicContact CB-CD2 4.36Å; R261-Y263 HydrophobicContact CB-CE2 3.65Å; R261-Y263 WeakPolarHBondContact CD-OH 3.46Å
264	P	95.8	Very high	92.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.7	178.3	30.1	-32.5	0	0	0	110.9	I195	I195-P264 HydrophobicContact CG1-CG 4.27Å
265	V	95.9	Very high	92.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	123.2	-179.8	-172.6	0	0	0	0	109.8	Y130 E182 F183 K245 K246 R248 R267	Y130-V265 HydrophobicContact CD2-CG1 4.12Å; Y130-V265 HydrophobicContact CD2-CG2 4Å; Y130-V265 HydrophobicContact CE2-CG1 4.34Å; Y130-V265 HydrophobicContact CE2-CG2 3.44Å; Y130-V265 VanDerWaalsContact CE2-CG2 3.44Å; E182-V265 HydrophobicContact CB-CG1 3.96Å; F183-V265 CarbonylContact O-C 3.56Å; F183-V265 WeakPolarHBondContact O-CA 3.46Å; K245-V265 CarbonylContact C-O 3.46Å; K245-V265 WeakPolarHBondContact CA-O 3.4Å; K246-V265 PolarHBondContact N-O 3.15Å; K246-V265 WeakPolarHBondContact O-CB 3.43Å; K246-V265 PolarHBondContact O-N 3.48Å; R248-V265 HydrophobicContact CB-CG2 4.43Å; R248-V265 HydrophobicContact CG-CG2 3.87Å; V265-R267 HydrophobicContact CG1-CG 4.41Å
266	L	96.6	Very high	93	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.7	169.1	-58.8	-173.4	0	0	0	109.3	Y70 F183 I195 W197 K245 Y268	Y70-L266 HydrophobicContact CD1-CD1 4.15Å; F183-L266 PolarHBondContact N-O 2.89Å; F183-L266 PolarHBondContact O-N 3.44Å; I195-L266 HydrophobicContact CG2-CD1 3.66Å; I195-L266 HydrophobicContact CG2-CG 3.87Å; W197-L266 HydrophobicContact CD2-CD1 4.31Å; W197-L266 HydrophobicContact CD2-CD2 4Å; W197-L266 HydrophobicContact CE3-CD1 3.76Å; W197-L266 HydrophobicContact CE3-CD2 4.06Å; W197-L266 HydrophobicContact CE3-CG 4.34Å; W197-L266 HydrophobicContact CH2-CB 4Å; W197-L266 HydrophobicContact CH2-CD2 3.91Å; W197-L266 HydrophobicContact CH2-CG 4.38Å; W197-L266 HydrophobicContact CZ2-CD2 3.86Å; W197-L266 HydrophobicContact CZ3-CB 3.89Å; W197-L266 HydrophobicContact CZ3-CD1 3.92Å; W197-L266 HydrophobicContact CZ3-CD2 4.02Å; W197-L266 HydrophobicContact CZ3-CG 4.16Å; K245-L266 HydrophobicContact CB-CD2 3.82Å; K245-L266 HydrophobicContact CD-CD2 3.94Å; K245-L266 HydrophobicContact CG-CD2 3.81Å; L266-Y268 HydrophobicContact CB-CE2 4.14Å; L266-Y268 HydrophobicContact CD1-CE2 4.49Å
267	R	95.9	Very high	93.1	Very high	32 Å²	32	38.4 Å²	38.4	12%	0.121	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	98.5	178.7	-56.8	-178.5	137.5	-160.8	-10.8	109.3	E182 S243 V244 V265	E182-R267 HydrophobicContact CG-CG 4.2Å; E182-R267 IonicContact OE1-CZ 2.77Å; E182-R267 IonicContact OE1-NE 3.22Å; E182-R267 PolarHBondContact OE1-NE 2.95Å; E182-R267 IonicContact OE1-NH2 2.78Å; E182-R267 PolarHBondContact OE1-NH2 3.39Å; S243-R267 WeakPolarHBondContact CA-O 3.48Å; S243-R267 VanDerWaalsContact CB-O 3.26Å; S243-R267 WeakPolarHBondContact CB-O 3.24Å; V244-R267 PolarHBondContact N-O 3.45Å; V244-R267 VanDerWaalsContact O-CB 3.32Å; V244-R267 WeakPolarHBondContact O-CB 3.36Å; V244-R267 PolarHBondContact O-N 2.68Å; V265-R267 HydrophobicContact CG1-CG 4.41Å
268	Y	95.9	Very high	93.3	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	128.4	171.9	-70.9	-91.2	0	0	0	109.3	Y70 G71 L72 M180 L181 F183 W197 L211 L266	Y70-Y268 AromaticContact CD1-CE2 3.97Å; Y70-Y268 HydrophobicContact CD1-CE2 3.97Å; Y70-Y268 AromaticContact CE1-CE2 3.89Å; Y70-Y268 HydrophobicContact CE1-CE2 3.89Å; Y70-Y268 PolarHBondContact O-OH 2.93Å; Y70-Y268 VanDerWaalsContact O-OH 3.13Å; G71-Y268 WeakPolarHBondContact CA-OH 3.36Å; L72-Y268 HydrophobicContact CB-CD1 4.23Å; L72-Y268 HydrophobicContact CB-CD2 4.33Å; L72-Y268 HydrophobicContact CB-CE1 3.93Å; L72-Y268 HydrophobicContact CB-CE2 4.03Å; L72-Y268 HydrophobicContact CB-CG 4.42Å; L72-Y268 HydrophobicContact CD2-CD2 4.13Å; L72-Y268 HydrophobicContact CD2-CG 4.13Å; M180-Y268 CarbonylContact C-O 3.6Å; M180-Y268 WeakPolarHBondContact CA-O 3.4Å; L181-Y268 PolarHBondContact N-O 2.98Å; L181-Y268 PolarHBondContact O-N 3.39Å; F183-Y268 AromaticContact CD2-CD2 3.96Å; F183-Y268 HydrophobicContact CD2-CD2 3.96Å; F183-Y268 HydrophobicContact CD2-CE2 4.32Å; F183-Y268 HydrophobicContact CE2-CD2 4.46Å; W197-Y268 HydrophobicContact CE3-CE1 4.47Å; W197-Y268 HydrophobicContact CZ3-CD1 4.5Å; W197-Y268 AromaticContact CZ3-CE1 3.95Å; W197-Y268 HydrophobicContact CZ3-CE1 3.95Å; W197-Y268 HydrophobicContact CZ3-CE2 4.03Å; W197-Y268 AromaticContact CZ3-CZ 3.69Å; L211-Y268 HydrophobicContact CB-CD1 4.31Å; L211-Y268 HydrophobicContact CD1-CD1 4.26Å; L266-Y268 HydrophobicContact CB-CE2 4.14Å; L266-Y268 HydrophobicContact CD1-CE2 4.49Å
269	L	94.6	Very high	93.3	Very high	9 Å²	9	35 Å²	35	5%	0.047	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.5	-178	-62.3	178.3	0	0	0	110.1	M180 I241 S243 V244 F602	M180-L269 HydrophobicContact CB-CD2 3.75Å; I241-L269 HydrophobicContact CB-CB 4.2Å; I241-L269 HydrophobicContact CG2-CB 3.82Å; I241-L269 HydrophobicContact CG2-CD1 3.69Å; I241-L269 HydrophobicContact CG2-CG 4.41Å; S243-L269 PolarHBondContact OG-N 3.07Å; V244-L269 HydrophobicContact CG2-CD1 4.36Å; L269-F602 HydrophobicContact CD1-CB 4.05Å; L269-F602 HydrophobicContact CD1-CD1 4.16Å; L269-F602 HydrophobicContact CD1-CG 4.38Å; L269-F602 HydrophobicContact CD2-CD1 3.79Å; L269-F602 HydrophobicContact CD2-CE1 3.98Å; L269-F602 HydrophobicContact CD2-CG 4.5Å
270	I	93.9	Very high	93.3	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116.8	-177.9	-39.9	-176	0	0	0	109.5	L87 I178 C179 L181 L211 L272	L87-I270 HydrophobicContact CD2-CD1 4.5Å; I178-I270 WeakPolarHBondContact CA-O 3.36Å; C179-I270 PolarHBondContact N-O 2.99Å; C179-I270 PolarHBondContact O-N 2.74Å; L181-I270 HydrophobicContact CD1-CD1 3.76Å; L211-I270 HydrophobicContact CD2-CD1 3.44Å; L211-I270 VanDerWaalsContact CD2-CD1 3.44Å; L211-I270 HydrophobicContact CD2-CG1 3.76Å; I270-L272 HydrophobicContact CB-CD2 4.45Å; I270-L272 HydrophobicContact CG2-CD2 3.58Å; I270-L272 HydrophobicContact CG2-CG 4.41Å
271	R	93.7	Very high	93.3	Very high	37 Å²	37	37 Å²	37	14%	0.14	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.9	168.3	-167.2	-175.7	-69.3	121.2	-13.9	109.7	T176 Q177 I178 D225 I239 I241	T176-R271 HydrophobicContact CG2-CG 3.61Å; Q177-R271 CarbonylContact O-C 3.55Å; Q177-R271 WeakPolarHBondContact O-CA 3.49Å; I178-R271 HydrophobicContact CG1-CG 4.34Å; D225-R271 WeakPolarHBondContact OD2-CB 3.46Å; D225-R271 VanDerWaalsContact OD2-CD 3.26Å; D225-R271 WeakPolarHBondContact OD2-CD 3.25Å; D225-R271 IonicContact OD2-CZ 2.63Å; D225-R271 IonicContact OD2-NE 3.2Å; D225-R271 IonicContact OD2-NH1 2.96Å; D225-R271 PolarHBondContact OD2-NH1 3.25Å; I239-R271 PolarHBondContact O-NH1 3.11Å; I241-R271 HydrophobicContact CD1-CB 3.91Å; I241-R271 HydrophobicContact CG1-CB 4.42Å
272	L	93.8	Very high	93.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.8	177.8	-51	-177.8	0	0	0	108.5	I77 L80 L87 T176 Q177 W222 T224 I270	I77-L272 HydrophobicContact CD1-CD2 3.35Å; L80-L272 HydrophobicContact CD2-CD1 4.24Å; L87-L272 HydrophobicContact CD1-CD1 4.02Å; T176-L272 CarbonylContact C-O 3.54Å; T176-L272 VanDerWaalsContact CA-O 3.3Å; T176-L272 WeakPolarHBondContact CA-O 3.38Å; Q177-L272 HydrophobicContact CB-CB 4.39Å; Q177-L272 PolarHBondContact N-O 3.24Å; Q177-L272 PolarHBondContact O-N 3.46Å; W222-L272 HydrophobicContact CD2-CB 4.47Å; W222-L272 HydrophobicContact CE3-CB 3.65Å; W222-L272 HydrophobicContact CZ3-CB 4.04Å; T224-L272 HydrophobicContact CG2-CD2 3.75Å; I270-L272 HydrophobicContact CB-CD2 4.45Å; I270-L272 HydrophobicContact CG2-CD2 3.58Å; I270-L272 HydrophobicContact CG2-CG 4.41Å
273	R	93	Very high	93.1	Very high	55 Å²	55	36.7 Å²	36.7	21%	0.208	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.1	169.8	-58.8	-161	-171.5	72.1	-5.1	108.9	T176 R223 D225 E595	T176-R273 HydrophobicContact CG2-CG 3.89Å; T176-R273 WeakPolarHBondContact OG1-CG 3.21Å; R223-R273 PolarHBondContact N-O 2.66Å; R223-R273 PolarHBondContact O-N 3.05Å; D225-R273 IonicContact OD1-CZ 3.81Å; D225-R273 IonicContact OD1-NH1 2.68Å; D225-R273 PolarHBondContact OD1-NH1 2.96Å; D225-R273 IonicContact OD1-NH2 2.74Å; D225-R273 PolarHBondContact OD1-NH2 3.37Å; D225-R273 IonicContact OD2-NH1 2.77Å; R273-E595 IonicContact CZ-OE1 3.96Å; R273-E595 IonicContact NE-OE1 2.7Å; R273-E595 PolarHBondContact NE-OE1 3.41Å; R273-E595 IonicContact NH2-OE1 3.72Å; R273-E595 PolarHBondContact NH2-OE1 3.21Å
274	R	93	Very high	92.7	Very high	11 Å²	11	36.9 Å²	36.9	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	149.1	177.8	-161.6	-174.8	-59.6	-91.6	-0.7	110.7	E82 D175 E221 W222 P276	E82-R274 IonicContact OE1-CZ 3.51Å; E82-R274 IonicContact OE1-NH1 2.85Å; E82-R274 PolarHBondContact OE1-NH1 2.84Å; E82-R274 IonicContact OE1-NH2 3.29Å; E82-R274 PolarHBondContact OE1-NH2 3.21Å; D175-R274 PolarHBondContact O-N 3.05Å; D175-R274 IonicContact OD1-CZ 3.4Å; D175-R274 IonicContact OD1-NE 2.76Å; D175-R274 PolarHBondContact OD1-NE 2.87Å; D175-R274 IonicContact OD1-NH2 3.97Å; D175-R274 IonicContact OD2-CZ 3.54Å; D175-R274 IonicContact OD2-NE 3.73Å; D175-R274 PolarHBondContact OD2-NE 3.35Å; D175-R274 IonicContact OD2-NH2 2.71Å; D175-R274 PolarHBondContact OD2-NH2 2.9Å; E221-R274 HydrophobicContact CG-CG 4.06Å; E221-R274 CarbonylContact O-C 3.6Å; E221-R274 IonicContact OE1-CZ 3.4Å; E221-R274 IonicContact OE1-NH1 3.7Å; E221-R274 PolarHBondContact OE1-NH1 3.28Å; W222-R274 HydrophobicContact CE3-CB 4.3Å; W222-R274 HydrophobicContact CH2-CB 4.17Å; W222-R274 HydrophobicContact CH2-CG 4.32Å; W222-R274 VanDerWaalsContact CH2-CZ 3.47Å; W222-R274 HydrophobicContact CZ3-CB 3.85Å; W222-R274 HydrophobicContact CZ3-CG 4.38Å; R274-P276 VanDerWaalsContact O-CD 3.23Å; R274-P276 WeakPolarHBondContact O-CD 3.45Å
275	N	92.1	Very high	92.5	Very high	39 Å²	39	40.1 Å²	40.1	21%	0.209	20%	0.195	C	C	.	.			trans	-85.1	99.3	164.4	-179.9	5.7	0	0	0	108.7	N220 E221 S277	N220-N275 PolarHBondContact O-ND2 3.15Å; E221-N275 WeakPolarHBondContact O-CB 3.49Å; E221-N275 PolarHBondContact O-N 3.26Å; N275-S277 PolarHBondContact O-N 3.18Å; N275-S277 VanDerWaalsContact O-N 3.08Å; N275-S277 WeakPolarHBondContact OD1-CB 3.26Å; N275-S277 PolarHBondContact OD1-OG 2.59Å
276	P	91.7	Very high	92.3	Very high	28 Å²	28	42.1 Å²	42.1	18%	0.182	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.8	-170.2	30.6	-38.6	0	0	0	113.2	P173 F174 R274 F278 Y279 V280	P173-P276 HydrophobicContact CB-CB 4.42Å; P173-P276 HydrophobicContact CG-CB 4.24Å; P173-P276 WeakPolarHBondContact O-CB 3.31Å; F174-P276 HydrophobicContact CD1-CB 3.68Å; F174-P276 HydrophobicContact CD1-CG 3.79Å; F174-P276 HydrophobicContact CE1-CB 3.61Å; F174-P276 HydrophobicContact CE1-CG 3.71Å; F174-P276 HydrophobicContact CG-CB 4.4Å; F174-P276 HydrophobicContact CZ-CB 4.27Å; R274-P276 VanDerWaalsContact O-CD 3.23Å; R274-P276 WeakPolarHBondContact O-CD 3.45Å; P276-F278 PolarHBondContact O-N 3.48Å; P276-Y279 PolarHBondContact O-N 2.9Å; P276-Y279 VanDerWaalsContact O-N 3.07Å; P276-V280 HydrophobicContact CB-CG2 4.13Å; P276-V280 WeakPolarHBondContact O-CG2 3.39Å; P276-V280 PolarHBondContact O-N 2.98Å
277	S	89.9	Confident	92	Very high	59 Å²	59	42.2 Å²	42.2	41%	0.413	21%	0.209	S	C	.	.	H	α-helix	trans	-49.3	-49	-165.8	-52.3	0	0	0	0	113.7	N275 V280 F281	N275-S277 PolarHBondContact O-N 3.18Å; N275-S277 VanDerWaalsContact O-N 3.08Å; N275-S277 WeakPolarHBondContact OD1-CB 3.26Å; N275-S277 PolarHBondContact OD1-OG 2.59Å; S277-V280 PolarHBondContact O-N 3.1Å; S277-F281 WeakPolarHBondContact O-CD2 3.26Å; S277-F281 PolarHBondContact O-N 3.06Å; S277-F281 VanDerWaalsContact O-N 3.16Å
278	F	91.3	Very high	91.6	Very high	133 Å²	133	45 Å²	45	58%	0.583	23%	0.229	S	C	*	.	H	α-helix	trans	-60	-51	179.5	175.7	-104.6	0	0	0	111.9	P276 V280 F281 M282	P276-F278 PolarHBondContact O-N 3.48Å; F278-V280 VanDerWaalsContact C-N 3.31Å; F278-V280 PolarHBondContact O-N 2.99Å; F278-F281 PolarHBondContact O-N 3.17Å; F278-M282 HydrophobicContact CD2-CG 4.13Å; F278-M282 HydrophobicContact CE1-CG 4.21Å; F278-M282 HydrophobicContact CE2-CG 3.76Å; F278-M282 HydrophobicContact CZ-CG 3.81Å; F278-M282 WeakPolarHBondContact O-CB 3.37Å; F278-M282 WeakPolarHBondContact O-CG 3.23Å; F278-M282 PolarHBondContact O-N 3.04Å
279	Y	90.2	Very high	91.3	Very high	36 Å²	36	49.9 Å²	49.9	14%	0.141	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-27.8	179.4	-61	-79	0	0	0	113	F172 P173 P276 L283 V284	F172-Y279 HydrophobicContact CE1-CD1 4.19Å; F172-Y279 HydrophobicContact CE2-CE1 4.36Å; F172-Y279 AromaticContact CZ-CD1 3.65Å; F172-Y279 HydrophobicContact CZ-CD1 3.65Å; F172-Y279 AromaticContact CZ-CE1 3.62Å; F172-Y279 HydrophobicContact CZ-CE1 3.62Å; F172-Y279 HydrophobicContact CZ-CG 4.11Å; P173-Y279 VanDerWaalsContact CB-CB 3.45Å; P173-Y279 HydrophobicContact CB-CD2 3.98Å; P173-Y279 HydrophobicContact CB-CG 3.85Å; P276-Y279 PolarHBondContact O-N 2.9Å; P276-Y279 VanDerWaalsContact O-N 3.07Å; Y279-L283 HydrophobicContact CD1-CD1 4.07Å; Y279-L283 WeakPolarHBondContact O-CA 3.18Å; Y279-L283 WeakPolarHBondContact O-CB 3.42Å; Y279-L283 PolarHBondContact O-N 3.11Å; Y279-V284 PolarHBondContact O-N 3.07Å
280	V	90.1	Very high	91.2	Very high	37 Å²	37	50.9 Å²	50.9	22%	0.224	26%	0.26	C	S	.	.	I	π-helix	trans	-64.2	-45.9	170.7	173.8	0	0	0	0	111.2	F174 P276 S277 F278 V284 I285	F174-V280 HydrophobicContact CE1-CG2 4.25Å; F174-V280 HydrophobicContact CZ-CG2 3.74Å; P276-V280 HydrophobicContact CB-CG2 4.13Å; P276-V280 WeakPolarHBondContact O-CG2 3.39Å; P276-V280 PolarHBondContact O-N 2.98Å; S277-V280 PolarHBondContact O-N 3.1Å; F278-V280 VanDerWaalsContact C-N 3.31Å; F278-V280 PolarHBondContact O-N 2.99Å; V280-V284 HydrophobicContact CG1-CB 4.36Å; V280-V284 HydrophobicContact CG2-CG2 4.41Å; V280-V284 WeakPolarHBondContact O-CB 3.4Å; V280-V284 PolarHBondContact O-N 3.09Å; V280-I285 HydrophobicContact CG1-CD1 4.43Å; V280-I285 HydrophobicContact CG1-CG1 4.39Å; V280-I285 PolarHBondContact O-N 2.9Å
281	F	91.2	Very high	90.8	Very high	140 Å²	140	51.1 Å²	51.1	61%	0.614	26%	0.262	S	S	*	.	I	π-helix	trans	-70.4	-36.3	176.7	-73.9	-69.9	0	0	0	113.2	S277 F278 I285 P286	S277-F281 WeakPolarHBondContact O-CD2 3.26Å; S277-F281 PolarHBondContact O-N 3.06Å; S277-F281 VanDerWaalsContact O-N 3.16Å; F278-F281 PolarHBondContact O-N 3.17Å; F281-I285 HydrophobicContact CD1-CD1 3.63Å; F281-I285 HydrophobicContact CE1-CD1 3.86Å; F281-I285 HydrophobicContact CG-CD1 4.47Å; F281-P286 VanDerWaalsContact O-CD 3.28Å; F281-P286 WeakPolarHBondContact O-CD 3.44Å
282	M	90.7	Very high	90.4	Very high	104 Å²	104	52.1 Å²	52.1	51%	0.512	28%	0.275	S	S	.	.	I	π-helix	trans	-87.9	-30.8	-174.3	-68.3	-58.2	-61.5	0	0	115.1	F278	F278-M282 HydrophobicContact CD2-CG 4.13Å; F278-M282 HydrophobicContact CE1-CG 4.21Å; F278-M282 HydrophobicContact CE2-CG 3.76Å; F278-M282 HydrophobicContact CZ-CG 3.81Å; F278-M282 WeakPolarHBondContact O-CB 3.37Å; F278-M282 WeakPolarHBondContact O-CG 3.23Å; F278-M282 PolarHBondContact O-N 3.04Å
283	L	90.6	Very high	90.1	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.047	29%	0.294	C	S	.	.	I	π-helix	trans	-116.2	-50.2	-176.9	-59.6	175.9	0	0	0	112.2	F172 Y279 C287 L324 L325	F172-L283 HydrophobicContact CE1-CD1 4.15Å; Y279-L283 HydrophobicContact CD1-CD1 4.07Å; Y279-L283 WeakPolarHBondContact O-CA 3.18Å; Y279-L283 WeakPolarHBondContact O-CB 3.42Å; Y279-L283 PolarHBondContact O-N 3.11Å; L283-C287 WeakPolarHBondContact O-CB 3.46Å; L283-C287 PolarHBondContact O-N 3.41Å; L283-C287 VanDerWaalsContact O-N 3.15Å; L283-L324 HydrophobicContact CD2-CB 4.27Å; L283-L325 HydrophobicContact CD1-CD1 4.24Å
284	V	87.9	Confident	89.7	Confident	39 Å²	39	53.4 Å²	53.4	24%	0.236	29%	0.285	C	S	.	.	I	π-helix	trans	-71.9	-49.4	-170.8	-175.7	0	0	0	0	111.8	Y279 V280 C287 V288	Y279-V284 PolarHBondContact O-N 3.07Å; V280-V284 HydrophobicContact CG1-CB 4.36Å; V280-V284 HydrophobicContact CG2-CG2 4.41Å; V280-V284 WeakPolarHBondContact O-CB 3.4Å; V280-V284 PolarHBondContact O-N 3.09Å; V284-C287 WeakPolarHBondContact O-CB 3.08Å; V284-C287 PolarHBondContact O-N 2.98Å; V284-V288 HydrophobicContact CG1-CG2 4.41Å; V284-V288 WeakPolarHBondContact O-CG2 3.45Å; V284-V288 PolarHBondContact O-N 3.42Å
285	I	90.1	Very high	89.2	Confident	69 Å²	69	55.7 Å²	55.7	35%	0.354	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-48.1	-178.6	-70	175.9	0	0	0	112.2	V280 F281 C287 V288 L289	V280-I285 HydrophobicContact CG1-CD1 4.43Å; V280-I285 HydrophobicContact CG1-CG1 4.39Å; V280-I285 PolarHBondContact O-N 2.9Å; F281-I285 HydrophobicContact CD1-CD1 3.63Å; F281-I285 HydrophobicContact CE1-CD1 3.86Å; F281-I285 HydrophobicContact CG-CD1 4.47Å; I285-C287 VanDerWaalsContact C-N 3.27Å; I285-C287 PolarHBondContact O-N 3.34Å; I285-V288 PolarHBondContact O-N 3.04Å; I285-L289 HydrophobicContact CG2-CD1 4.02Å; I285-L289 HydrophobicContact CG2-CG 4.45Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 3.34Å
286	P	91.8	Very high	88.8	Confident	42 Å²	42	56.9 Å²	56.9	27%	0.273	31%	0.307	S	S	.	.	H	α-helix	trans	-57.8	-38.7	173.5	-28.5	38	0	0	0	112.8	F281 L289 L290 L321	F281-P286 VanDerWaalsContact O-CD 3.28Å; F281-P286 WeakPolarHBondContact O-CD 3.44Å; P286-L289 PolarHBondContact O-N 3.39Å; P286-L290 WeakPolarHBondContact O-CB 3.47Å; P286-L290 WeakPolarHBondContact O-CG 3.33Å; P286-L290 PolarHBondContact O-N 2.99Å; P286-L321 HydrophobicContact CB-CD1 4.44Å; P286-L321 HydrophobicContact CB-CD2 4.35Å
287	C	89.9	Confident	88.4	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.014	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-41.6	176.3	-173.2	0	0	0	0	112.9	L283 V284 I285 L290 S291 F318 L321 Y342 F343	L283-C287 WeakPolarHBondContact O-CB 3.46Å; L283-C287 PolarHBondContact O-N 3.41Å; L283-C287 VanDerWaalsContact O-N 3.15Å; V284-C287 WeakPolarHBondContact O-CB 3.08Å; V284-C287 PolarHBondContact O-N 2.98Å; I285-C287 VanDerWaalsContact C-N 3.27Å; I285-C287 PolarHBondContact O-N 3.34Å; C287-L290 PolarHBondContact O-N 3.02Å; C287-S291 VanDerWaalsContact O-CB 3.25Å; C287-S291 WeakPolarHBondContact O-CB 3.41Å; C287-S291 PolarHBondContact O-N 2.71Å; C287-S291 PolarHBondContact O-OG 3.2Å; C287-F318 VanDerWaalsContact SG-CE1 3.59Å; C287-L321 HydrophobicContact CB-CD1 4.09Å; C287-Y342 VanDerWaalsContact SG-CE1 3.52Å; C287-F343 HydrophobicContact CB-CE1 3.82Å; C287-F343 HydrophobicContact CB-CZ 4.45Å; C287-F343 WeakPolarHBondContact SG-CE1 3.34Å
288	V	87.3	Confident	87.9	Confident	90 Å²	90	53.3 Å²	53.3	55%	0.545	28%	0.282	S	S	.	.	H	α-helix	trans	-63.3	-41.6	174	170.2	0	0	0	0	111.2	V284 I285 S291 S292	V284-V288 HydrophobicContact CG1-CG2 4.41Å; V284-V288 WeakPolarHBondContact O-CG2 3.45Å; V284-V288 PolarHBondContact O-N 3.42Å; I285-V288 PolarHBondContact O-N 3.04Å; V288-S291 WeakPolarHBondContact O-CB 3.05Å; V288-S291 PolarHBondContact O-N 3.2Å; V288-S292 PolarHBondContact O-N 3.33Å
289	L	90.7	Very high	87.4	Confident	103 Å²	103	55.4 Å²	55.4	54%	0.539	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-48.7	176.7	-68.5	171.8	0	0	0	111.4	I285 P286 S291 S292 L293	I285-L289 HydrophobicContact CG2-CD1 4.02Å; I285-L289 HydrophobicContact CG2-CG 4.45Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 3.34Å; P286-L289 PolarHBondContact O-N 3.39Å; L289-S291 VanDerWaalsContact C-N 3.33Å; L289-S291 PolarHBondContact O-N 3.29Å; L289-S292 PolarHBondContact O-N 3.3Å; L289-S292 VanDerWaalsContact O-N 3.11Å; L289-S292 PolarHBondContact O-OG 2.86Å; L289-L293 PolarHBondContact O-N 2.92Å; L289-L293 VanDerWaalsContact O-N 3.13Å
290	L	91.5	Very high	87.1	Confident	31 Å²	31	55.8 Å²	55.8	16%	0.162	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-40	174.1	-69.3	174.2	0	0	0	112.4	P286 C287 S292 L293 T294 A317 F318 L321	P286-L290 WeakPolarHBondContact O-CB 3.47Å; P286-L290 WeakPolarHBondContact O-CG 3.33Å; P286-L290 PolarHBondContact O-N 2.99Å; C287-L290 PolarHBondContact O-N 3.02Å; L290-S292 PolarHBondContact O-N 3.45Å; L290-L293 HydrophobicContact CD2-CD1 4.4Å; L290-L293 PolarHBondContact O-N 3.23Å; L290-L293 VanDerWaalsContact O-N 3.15Å; L290-T294 PolarHBondContact O-N 3.08Å; L290-A317 HydrophobicContact CD1-CB 3.63Å; L290-A317 HydrophobicContact CD2-CB 3.78Å; L290-A317 HydrophobicContact CG-CB 4.39Å; L290-F318 HydrophobicContact CB-CD2 4.39Å; L290-F318 HydrophobicContact CB-CE2 3.74Å; L290-F318 HydrophobicContact CB-CZ 3.96Å; L290-L321 HydrophobicContact CD1-CD1 3.68Å
291	S	86.4	Confident	86.6	Confident	10 Å²	10	57.5 Å²	57.5	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-61.5	-31.2	174.6	-59.6	0	0	0	0	112.4	C287 V288 L289 T294 Y342	C287-S291 VanDerWaalsContact O-CB 3.25Å; C287-S291 WeakPolarHBondContact O-CB 3.41Å; C287-S291 PolarHBondContact O-N 2.71Å; C287-S291 PolarHBondContact O-OG 3.2Å; V288-S291 WeakPolarHBondContact O-CB 3.05Å; V288-S291 PolarHBondContact O-N 3.2Å; L289-S291 VanDerWaalsContact C-N 3.33Å; L289-S291 PolarHBondContact O-N 3.29Å; S291-T294 PolarHBondContact O-OG1 2.88Å; S291-Y342 PolarHBondContact OG-OH 2.86Å; S291-Y342 VanDerWaalsContact OG-OH 3.07Å
292	S	84.7	Confident	85.8	Confident	58 Å²	58	51.3 Å²	51.3	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-76.2	-32.9	174.7	74.8	0	0	0	0	112.8	V288 L289 L290 T294 L295	V288-S292 PolarHBondContact O-N 3.33Å; L289-S292 PolarHBondContact O-N 3.3Å; L289-S292 VanDerWaalsContact O-N 3.11Å; L289-S292 PolarHBondContact O-OG 2.86Å; L290-S292 PolarHBondContact O-N 3.45Å; S292-T294 VanDerWaalsContact C-N 3.31Å; S292-T294 PolarHBondContact O-N 2.86Å; S292-L295 WeakPolarHBondContact O-CB 3.39Å; S292-L295 PolarHBondContact O-N 3.28Å
293	L	87.8	Confident	85.1	Confident	77 Å²	77	51.8 Å²	51.8	40%	0.403	28%	0.277	S	S	.	.	H	α-helix	trans	-68.4	-26.2	178	-70.5	172.4	0	0	0	112.9	L289 L290 L295 V296 I314	L289-L293 PolarHBondContact O-N 2.92Å; L289-L293 VanDerWaalsContact O-N 3.13Å; L290-L293 HydrophobicContact CD2-CD1 4.4Å; L290-L293 PolarHBondContact O-N 3.23Å; L290-L293 VanDerWaalsContact O-N 3.15Å; L293-L295 VanDerWaalsContact C-N 3.26Å; L293-L295 PolarHBondContact O-N 3Å; L293-V296 WeakPolarHBondContact O-CB 3.43Å; L293-V296 PolarHBondContact O-N 2.86Å; L293-V296 VanDerWaalsContact O-N 3.13Å; L293-I314 HydrophobicContact CB-CD1 3.87Å
294	T	84.9	Confident	84.7	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-30.3	174.9	63	0	0	0	0	112.4	L290 S291 S292 V296 V297 F298 I314 I350 Y578	L290-T294 PolarHBondContact O-N 3.08Å; S291-T294 PolarHBondContact O-OG1 2.88Å; S292-T294 VanDerWaalsContact C-N 3.31Å; S292-T294 PolarHBondContact O-N 2.86Å; T294-V296 PolarHBondContact O-N 2.85Å; T294-V297 VanDerWaalsContact O-CB 3.31Å; T294-V297 WeakPolarHBondContact O-CB 3.46Å; T294-V297 PolarHBondContact O-N 3.29Å; T294-F298 WeakPolarHBondContact O-CD2 3.46Å; T294-I314 HydrophobicContact CG2-CD1 4.35Å; T294-I314 HydrophobicContact CG2-CG2 3.81Å; T294-I350 HydrophobicContact CG2-CD1 3.91Å; T294-I350 HydrophobicContact CG2-CG1 3.89Å; T294-Y578 WeakPolarHBondContact CB-OH 3.46Å; T294-Y578 WeakPolarHBondContact CG2-OH 3.46Å; T294-Y578 VanDerWaalsContact OG1-CE1 3.27Å; T294-Y578 WeakPolarHBondContact OG1-CE1 3.35Å; T294-Y578 PolarHBondContact OG1-OH 2.96Å
295	L	82.2	Confident	84.5	Confident	59 Å²	59	56.3 Å²	56.3	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-63.7	-30.8	174.6	-56.7	178.4	0	0	0	111.9	S292 L293 V297 F298 Y578 I579	S292-L295 WeakPolarHBondContact O-CB 3.39Å; S292-L295 PolarHBondContact O-N 3.28Å; L293-L295 VanDerWaalsContact C-N 3.26Å; L293-L295 PolarHBondContact O-N 3Å; L295-V297 VanDerWaalsContact C-N 3.34Å; L295-F298 PolarHBondContact O-N 2.82Å; L295-Y578 HydrophobicContact CD2-CD1 4.15Å; L295-Y578 HydrophobicContact CD2-CE1 4.22Å; L295-I579 HydrophobicContact CD2-CD1 4.32Å; L295-I579 HydrophobicContact CD2-CG1 3.78Å
296	V	84.1	Confident	84.4	Confident	65 Å²	65	54.8 Å²	54.8	39%	0.394	31%	0.306	S	S	.	.	H	α-helix	trans	-69.7	-31	177.4	-172	0	0	0	0	111.5	L293 T294 F298 W299 L300	L293-V296 WeakPolarHBondContact O-CB 3.43Å; L293-V296 PolarHBondContact O-N 2.86Å; L293-V296 VanDerWaalsContact O-N 3.13Å; T294-V296 PolarHBondContact O-N 2.85Å; V296-F298 PolarHBondContact O-N 3.25Å; V296-W299 PolarHBondContact O-N 3.08Å; V296-L300 HydrophobicContact CG1-CD1 4.34Å; V296-L300 PolarHBondContact O-N 3.14Å
297	V	82.6	Confident	84.1	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.036	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-37	175.9	-177.1	0	0	0	0	111.3	T294 L295 K307 L310 I314	T294-V297 VanDerWaalsContact O-CB 3.31Å; T294-V297 WeakPolarHBondContact O-CB 3.46Å; T294-V297 PolarHBondContact O-N 3.29Å; L295-V297 VanDerWaalsContact C-N 3.34Å; V297-K307 HydrophobicContact CG1-CG 3.83Å; V297-K307 WeakPolarHBondContact O-CD 2.93Å; V297-K307 WeakPolarHBondContact O-CE 3.26Å; V297-K307 WeakPolarHBondContact O-CG 3.4Å; V297-K307 PolarHBondContact O-NZ 3.08Å; V297-L310 HydrophobicContact CG2-CD2 3.8Å; V297-L310 HydrophobicContact CG2-CG 3.89Å; V297-I314 HydrophobicContact CG2-CD1 4.03Å
298	F	80.2	Confident	83.8	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.026	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.8	176.6	-66.2	-79.9	0	0	0	114.5	T294 L295 V296 S353 F574 F575 Y578	T294-F298 WeakPolarHBondContact O-CD2 3.46Å; L295-F298 PolarHBondContact O-N 2.82Å; V296-F298 PolarHBondContact O-N 3.25Å; F298-S353 WeakPolarHBondContact CZ-OG 3.48Å; F298-F574 HydrophobicContact CE1-CB 3.96Å; F298-F575 HydrophobicContact CB-CB 3.85Å; F298-F575 HydrophobicContact CB-CD2 3.29Å; F298-F575 HydrophobicContact CB-CE2 4.09Å; F298-F575 HydrophobicContact CB-CG 3.88Å; F298-F575 HydrophobicContact CD1-CB 3.92Å; F298-F575 HydrophobicContact CD2-CD2 4.07Å; F298-F575 HydrophobicContact CG-CB 3.97Å; F298-F575 AromaticContact CG-CD2 3.76Å; F298-F575 HydrophobicContact CG-CD2 3.76Å; F298-F575 HydrophobicContact CG-CG 4.33Å; F298-Y578 HydrophobicContact CD2-CD1 4.39Å; F298-Y578 HydrophobicContact CD2-CG 4.33Å; F298-Y578 AromaticContact CE2-CD1 3.72Å; F298-Y578 HydrophobicContact CE2-CD1 3.72Å; F298-Y578 AromaticContact CE2-CD2 3.56Å; F298-Y578 HydrophobicContact CE2-CD2 3.56Å; F298-Y578 HydrophobicContact CE2-CE1 4.3Å; F298-Y578 HydrophobicContact CE2-CE2 4.15Å; F298-Y578 AromaticContact CE2-CG 3.33Å; F298-Y578 HydrophobicContact CE2-CG 3.33Å; F298-Y578 HydrophobicContact CZ-CD1 4.48Å; F298-Y578 AromaticContact CZ-CD2 3.67Å; F298-Y578 HydrophobicContact CZ-CD2 3.67Å; F298-Y578 AromaticContact CZ-CG 3.66Å; F298-Y578 HydrophobicContact CZ-CG 3.66Å
299	W	80.3	Confident	83.9	Confident	176 Å²	176	57.3 Å²	57.3	67%	0.667	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-28.4	171.1	-82.9	51.2	0	0	0	112.2	V296 F575	V296-W299 PolarHBondContact O-N 3.08Å; W299-F575 AromaticContact CD1-CE2 3.98Å; W299-F575 AromaticContact NE1-CE2 3.89Å; W299-F575 AromaticContact NE1-CZ 3.47Å
300	L	84.2	Confident	83.9	Confident	45 Å²	45	54.8 Å²	54.8	24%	0.236	30%	0.297	C	S	.	.	S	Bend	trans	-62.2	133.2	171.2	-111.5	70	0	0	0	110.8	V296 A306 K307	V296-L300 HydrophobicContact CG1-CD1 4.34Å; V296-L300 PolarHBondContact O-N 3.14Å; L300-A306 HydrophobicContact CD2-CB 3.97Å; L300-K307 HydrophobicContact CB-CB 4.22Å; L300-K307 HydrophobicContact CB-CD 4.45Å; L300-K307 HydrophobicContact CB-CG 4.32Å; L300-K307 HydrophobicContact CD2-CB 4.12Å; L300-K307 PolarHBondContact O-NZ 3.27Å
301	P	79.7	Confident	83.7	Confident	72 Å²	72	53.4 Å²	53.4	47%	0.468	29%	0.29	S	S	.	.			trans	-63	141.9	176.4	26.9	-34.2	0	0	0	110.3	E303 S304	P301-E303 PolarHBondContact O-N 2.98Å; P301-S304 PolarHBondContact O-N 3.06Å; P301-S304 VanDerWaalsContact O-N 3.1Å
302	P	75	Confident	83.8	Confident	11 Å²	11	58.6 Å²	58.6	7%	0.071	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.5	-178.1	27	-35.1	0	0	0	113.6	S304 V360 I361	P302-S304 VanDerWaalsContact C-N 3.28Å; P302-S304 PolarHBondContact O-N 2.97Å; P302-V360 HydrophobicContact CB-CG1 3.75Å; P302-V360 HydrophobicContact CG-CG1 4.16Å; P302-I361 VanDerWaalsContact O-CG1 3.26Å; P302-I361 WeakPolarHBondContact O-CG1 3.49Å
303	E	75.2	Confident	84.2	Confident	114 Å²	114	60.6 Å²	60.6	53%	0.533	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.5	175.1	-55.3	-175.9	158.4	0	0	113.2	P301 Y364 R564	P301-E303 PolarHBondContact O-N 2.98Å; E303-Y364 VanDerWaalsContact CD-OH 3.25Å; E303-Y364 HydrophobicContact CG-CD2 4.32Å; E303-Y364 HydrophobicContact CG-CE2 3.53Å; E303-Y364 WeakPolarHBondContact OE1-CE2 3.49Å; E303-Y364 PolarHBondContact OE1-OH 2.95Å; E303-R564 IonicContact OE1-NE 3.48Å
304	S	82.8	Confident	84.4	Confident	39 Å²	39	57.2 Å²	57.2	27%	0.273	30%	0.303	S	S	.	.			trans	-92.4	124.9	-173.7	-174.2	0	0	0	0	112.8	P301 P302 A306 K307	P301-S304 PolarHBondContact O-N 3.06Å; P301-S304 VanDerWaalsContact O-N 3.1Å; P302-S304 VanDerWaalsContact C-N 3.28Å; P302-S304 PolarHBondContact O-N 2.97Å; S304-A306 PolarHBondContact O-N 3.33Å; S304-A306 VanDerWaalsContact O-N 3.15Å; S304-A306 WeakPolarHBondContact OG-CB 3.33Å; S304-A306 PolarHBondContact OG-N 3.39Å; S304-K307 WeakPolarHBondContact O-CB 3.47Å; S304-K307 PolarHBondContact O-N 3.49Å; S304-K307 VanDerWaalsContact O-N 3.07Å
305	P	84	Confident	84.7	Confident	103 Å²	103	60.5 Å²	60.5	67%	0.669	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.9	175.7	27.2	-34.7	0	0	0	112.8	K307 M308 M309	P305-K307 PolarHBondContact O-N 3.03Å; P305-K307 VanDerWaalsContact O-N 3.16Å; P305-M308 PolarHBondContact O-N 2.77Å; P305-M308 VanDerWaalsContact O-N 3.14Å; P305-M309 PolarHBondContact O-N 3.33Å
306	A	86.5	Confident	85.3	Confident	38 Å²	38	61.6 Å²	61.6	31%	0.314	33%	0.326	S	S	.	.	H	α-helix	trans	-58.6	-26	173.8	0	0	0	0	0	112.8	L300 S304 M309 L310	L300-A306 HydrophobicContact CD2-CB 3.97Å; S304-A306 PolarHBondContact O-N 3.33Å; S304-A306 VanDerWaalsContact O-N 3.15Å; S304-A306 WeakPolarHBondContact OG-CB 3.33Å; S304-A306 PolarHBondContact OG-N 3.39Å; A306-M309 PolarHBondContact O-N 3.43Å; A306-L310 VanDerWaalsContact O-CB 3.24Å; A306-L310 WeakPolarHBondContact O-CB 3.26Å; A306-L310 PolarHBondContact O-N 2.78Å
307	K	85.5	Confident	85.8	Confident	2 Å²	2	60 Å²	60	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-43.2	176.1	-174.1	172.7	178.6	129.9	0	112	V297 L300 S304 P305 G311 D571	V297-K307 HydrophobicContact CG1-CG 3.83Å; V297-K307 WeakPolarHBondContact O-CD 2.93Å; V297-K307 WeakPolarHBondContact O-CE 3.26Å; V297-K307 WeakPolarHBondContact O-CG 3.4Å; V297-K307 PolarHBondContact O-NZ 3.08Å; L300-K307 HydrophobicContact CB-CB 4.22Å; L300-K307 HydrophobicContact CB-CD 4.45Å; L300-K307 HydrophobicContact CB-CG 4.32Å; L300-K307 HydrophobicContact CD2-CB 4.12Å; L300-K307 PolarHBondContact O-NZ 3.27Å; S304-K307 WeakPolarHBondContact O-CB 3.47Å; S304-K307 PolarHBondContact O-N 3.49Å; S304-K307 VanDerWaalsContact O-N 3.07Å; P305-K307 PolarHBondContact O-N 3.03Å; P305-K307 VanDerWaalsContact O-N 3.16Å; K307-G311 PolarHBondContact O-N 3.5Å; K307-D571 IonicContact NZ-OD1 2.74Å; K307-D571 PolarHBondContact NZ-OD1 2.93Å; K307-D571 IonicContact NZ-OD2 3.22Å; K307-D571 PolarHBondContact NZ-OD2 3.21Å
308	M	84.7	Confident	86.2	Confident	69 Å²	69	59.7 Å²	59.7	34%	0.34	32%	0.318	S	S	.	.	H	α-helix	trans	-70.1	-46.1	177.2	-70	178.1	58.3	0	0	111.2	P305 L310 G311 M312 T358 I361	P305-M308 PolarHBondContact O-N 2.77Å; P305-M308 VanDerWaalsContact O-N 3.14Å; M308-L310 PolarHBondContact O-N 3.36Å; M308-G311 PolarHBondContact O-N 3.44Å; M308-M312 WeakPolarHBondContact O-CG 3.21Å; M308-M312 PolarHBondContact O-N 2.78Å; M308-T358 HydrophobicContact CE-CG2 3.51Å; M308-T358 HydrophobicContact CG-CG2 4.49Å; M308-T358 HydrophobicContact SD-CG2 3.86Å; M308-I361 HydrophobicContact CG-CD1 4.15Å; M308-I361 HydrophobicContact SD-CD1 3.72Å
309	M	89.4	Confident	86.9	Confident	116 Å²	116	64.1 Å²	64.1	57%	0.571	34%	0.338	S	S	*	.	H	α-helix	trans	-60.1	-43.4	178.8	-173.9	176.2	67.9	0	0	112.1	P305 A306 M312 N313	P305-M309 PolarHBondContact O-N 3.33Å; A306-M309 PolarHBondContact O-N 3.43Å; M309-M312 PolarHBondContact O-N 3.19Å; M309-N313 WeakPolarHBondContact O-CB 3.24Å; M309-N313 PolarHBondContact O-N 3.28Å; M309-N313 PolarHBondContact O-OD1 2.95Å
310	L	90.1	Very high	87.5	Confident	49 Å²	49	59.2 Å²	59.2	26%	0.257	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-45.3	175.6	-178.4	60.7	0	0	0	111.6	V297 A306 M308 M312 N313 I314	V297-L310 HydrophobicContact CG2-CD2 3.8Å; V297-L310 HydrophobicContact CG2-CG 3.89Å; A306-L310 VanDerWaalsContact O-CB 3.24Å; A306-L310 WeakPolarHBondContact O-CB 3.26Å; A306-L310 PolarHBondContact O-N 2.78Å; M308-L310 PolarHBondContact O-N 3.36Å; L310-M312 PolarHBondContact O-N 3.39Å; L310-N313 PolarHBondContact O-N 3.26Å; L310-I314 HydrophobicContact CD1-CD1 3.86Å; L310-I314 HydrophobicContact CD1-CG1 4.23Å; L310-I314 HydrophobicContact CG-CD1 3.85Å; L310-I314 VanDerWaalsContact O-CG1 3.27Å; L310-I314 WeakPolarHBondContact O-CG1 3.3Å; L310-I314 PolarHBondContact O-N 3.16Å
311	G	87.7	Confident	87.9	Confident	2 Å²	2	57.7 Å²	57.7	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-42.2	176.8	0	0	0	0	0	113.4	K307 M308 F315 I350	K307-G311 PolarHBondContact O-N 3.5Å; M308-G311 PolarHBondContact O-N 3.44Å; G311-F315 PolarHBondContact O-N 2.68Å; G311-F315 VanDerWaalsContact O-N 3.08Å; G311-I350 WeakPolarHBondContact O-CG2 3.43Å
312	M	89	Confident	88.5	Confident	120 Å²	120	56 Å²	56	59%	0.591	31%	0.306	S	S	*	.	H	α-helix	trans	-66.1	-43.6	176	-70.1	179.1	67.2	0	0	112.2	M308 M309 L310 I314 F315 V316	M308-M312 WeakPolarHBondContact O-CG 3.21Å; M308-M312 PolarHBondContact O-N 2.78Å; M309-M312 PolarHBondContact O-N 3.19Å; L310-M312 PolarHBondContact O-N 3.39Å; M312-I314 VanDerWaalsContact C-N 3.35Å; M312-I314 PolarHBondContact O-N 3.32Å; M312-F315 WeakPolarHBondContact O-CB 3.45Å; M312-F315 PolarHBondContact O-N 2.74Å; M312-V316 WeakPolarHBondContact O-CG2 3.38Å; M312-V316 PolarHBondContact O-N 2.71Å
313	N	92.3	Very high	89.4	Confident	99 Å²	99	59.5 Å²	59.5	53%	0.529	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-38.9	179.1	-70.4	-5.3	0	0	0	112	M309 L310 V316 A317	M309-N313 WeakPolarHBondContact O-CB 3.24Å; M309-N313 PolarHBondContact O-N 3.28Å; M309-N313 PolarHBondContact O-OD1 2.95Å; L310-N313 PolarHBondContact O-N 3.26Å; N313-V316 PolarHBondContact O-N 2.7Å; N313-A317 PolarHBondContact O-N 3.08Å
314	I	92	Very high	90.2	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-67.5	-39.2	175.5	-61.9	163.5	0	0	0	110.8	L293 T294 V297 L310 M312 V316 A317 F318 I350	L293-I314 HydrophobicContact CB-CD1 3.87Å; T294-I314 HydrophobicContact CG2-CD1 4.35Å; T294-I314 HydrophobicContact CG2-CG2 3.81Å; V297-I314 HydrophobicContact CG2-CD1 4.03Å; L310-I314 HydrophobicContact CD1-CD1 3.86Å; L310-I314 HydrophobicContact CD1-CG1 4.23Å; L310-I314 HydrophobicContact CG-CD1 3.85Å; L310-I314 VanDerWaalsContact O-CG1 3.27Å; L310-I314 WeakPolarHBondContact O-CG1 3.3Å; L310-I314 PolarHBondContact O-N 3.16Å; M312-I314 VanDerWaalsContact C-N 3.35Å; M312-I314 PolarHBondContact O-N 3.32Å; I314-V316 PolarHBondContact O-N 2.85Å; I314-A317 PolarHBondContact O-N 2.86Å; I314-F318 HydrophobicContact CG2-CD2 3.69Å; I314-F318 HydrophobicContact CG2-CE2 3.64Å; I314-F318 WeakPolarHBondContact O-CD2 3.33Å; I314-F318 PolarHBondContact O-N 2.81Å; I314-I350 HydrophobicContact CG2-CD1 3.86Å
315	F	91.8	Very high	90.5	Very high	74 Å²	74	55.8 Å²	55.8	33%	0.325	30%	0.304	S	S	.	.	H	α-helix	trans	-58	-45.7	173.6	177.4	-87.2	0	0	0	112.2	G311 M312 A317 F318 F319 M347 I350 T351	G311-F315 PolarHBondContact O-N 2.68Å; G311-F315 VanDerWaalsContact O-N 3.08Å; M312-F315 WeakPolarHBondContact O-CB 3.45Å; M312-F315 PolarHBondContact O-N 2.74Å; F315-A317 VanDerWaalsContact C-N 3.33Å; F315-A317 PolarHBondContact O-N 2.98Å; F315-F318 PolarHBondContact O-N 3.18Å; F315-F319 PolarHBondContact O-N 2.88Å; F315-M347 HydrophobicContact CD2-CB 4.3Å; F315-M347 HydrophobicContact CD2-CE 4.22Å; F315-M347 HydrophobicContact CD2-CG 4.47Å; F315-M347 HydrophobicContact CE1-CE 4.04Å; F315-M347 HydrophobicContact CE2-CB 4.05Å; F315-M347 HydrophobicContact CE2-CE 3.55Å; F315-M347 HydrophobicContact CE2-CG 4.4Å; F315-M347 HydrophobicContact CZ-CE 3.44Å; F315-M347 VanDerWaalsContact CZ-CE 3.44Å; F315-I350 HydrophobicContact CB-CG2 3.97Å; F315-T351 WeakPolarHBondContact CE2-OG1 2.97Å
316	V	94.5	Very high	90.7	Very high	82 Å²	82	53.7 Å²	53.7	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-62.3	-40.5	176.4	174.3	0	0	0	0	111.2	M312 N313 I314 F319 V320	M312-V316 WeakPolarHBondContact O-CG2 3.38Å; M312-V316 PolarHBondContact O-N 2.71Å; N313-V316 PolarHBondContact O-N 2.7Å; I314-V316 PolarHBondContact O-N 2.85Å; V316-F319 PolarHBondContact O-N 3.4Å; V316-V320 WeakPolarHBondContact O-CG2 3.32Å; V316-V320 PolarHBondContact O-N 2.94Å
317	A	94	Very high	90.8	Very high	31 Å²	31	58.6 Å²	58.6	26%	0.256	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-40.6	177.3	0	0	0	0	0	112.9	L290 N313 I314 F315 V320 L321	L290-A317 HydrophobicContact CD1-CB 3.63Å; L290-A317 HydrophobicContact CD2-CB 3.78Å; L290-A317 HydrophobicContact CG-CB 4.39Å; N313-A317 PolarHBondContact O-N 3.08Å; I314-A317 PolarHBondContact O-N 2.86Å; F315-A317 VanDerWaalsContact C-N 3.33Å; F315-A317 PolarHBondContact O-N 2.98Å; A317-V320 PolarHBondContact O-N 2.89Å; A317-L321 PolarHBondContact O-N 3.07Å; A317-L321 VanDerWaalsContact O-N 3.08Å
318	F	92.3	Very high	90.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-37.3	172.1	-87.1	-79.4	0	0	0	112.7	C287 L290 I314 F315 L321 L322 N346 M347 I350	C287-F318 VanDerWaalsContact SG-CE1 3.59Å; L290-F318 HydrophobicContact CB-CD2 4.39Å; L290-F318 HydrophobicContact CB-CE2 3.74Å; L290-F318 HydrophobicContact CB-CZ 3.96Å; I314-F318 HydrophobicContact CG2-CD2 3.69Å; I314-F318 HydrophobicContact CG2-CE2 3.64Å; I314-F318 WeakPolarHBondContact O-CD2 3.33Å; I314-F318 PolarHBondContact O-N 2.81Å; F315-F318 PolarHBondContact O-N 3.18Å; F318-L321 PolarHBondContact O-N 3.21Å; F318-L322 PolarHBondContact O-N 2.88Å; F318-N346 HydrophobicContact CD1-CB 4Å; F318-N346 HydrophobicContact CE1-CB 3.59Å; F318-N346 HydrophobicContact CE2-CB 4.27Å; F318-N346 HydrophobicContact CG-CB 4.49Å; F318-N346 HydrophobicContact CZ-CB 3.75Å; F318-M347 HydrophobicContact CB-CG 3.75Å; F318-M347 HydrophobicContact CB-SD 4.41Å; F318-I350 HydrophobicContact CD2-CD1 3.5Å; F318-I350 VanDerWaalsContact CD2-CD1 3.5Å; F318-I350 HydrophobicContact CE2-CD1 3.63Å; F318-I350 HydrophobicContact CG-CD1 4.43Å
319	F	93.5	Very high	90.6	Very high	99 Å²	99	57.7 Å²	57.7	43%	0.434	31%	0.311	S	S	.	.	H	α-helix	trans	-63.5	-41.1	174.9	-178.7	-112.7	0	0	0	112.1	F315 V316 L322 L323 M347	F315-F319 PolarHBondContact O-N 2.88Å; V316-F319 PolarHBondContact O-N 3.4Å; F319-L322 WeakPolarHBondContact O-CB 3.23Å; F319-L322 PolarHBondContact O-N 2.75Å; F319-L323 HydrophobicContact CD1-CD1 4.22Å; F319-L323 HydrophobicContact CE1-CD1 3.8Å; F319-L323 HydrophobicContact CE1-CG 4.33Å; F319-L323 HydrophobicContact CZ-CD1 4.19Å; F319-L323 HydrophobicContact CZ-CD2 4.24Å; F319-L323 HydrophobicContact CZ-CG 4.32Å; F319-L323 WeakPolarHBondContact O-CG 3.46Å; F319-L323 PolarHBondContact O-N 2.92Å; F319-M347 HydrophobicContact CB-CE 3.91Å; F319-M347 HydrophobicContact CD2-CE 4Å; F319-M347 HydrophobicContact CG-CE 4.41Å
320	V	94.2	Very high	90.4	Very high	72 Å²	72	52.4 Å²	52.4	44%	0.436	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-41.1	174.4	172.9	0	0	0	0	111.8	V316 A317 L322 L323 L324	V316-V320 WeakPolarHBondContact O-CG2 3.32Å; V316-V320 PolarHBondContact O-N 2.94Å; A317-V320 PolarHBondContact O-N 2.89Å; V320-L322 VanDerWaalsContact C-N 3.29Å; V320-L322 PolarHBondContact O-N 3.3Å; V320-L323 PolarHBondContact O-N 2.77Å; V320-L324 HydrophobicContact CG1-CD1 4.41Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 2.69Å; V320-L324 VanDerWaalsContact O-N 3.08Å
321	L	92.9	Very high	89.7	Confident	14 Å²	14	56.1 Å²	56.1	7%	0.073	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-34.9	173.2	-71.5	180	0	0	0	112.6	P286 C287 L290 A317 F318 L324 L325 F343	P286-L321 HydrophobicContact CB-CD1 4.44Å; P286-L321 HydrophobicContact CB-CD2 4.35Å; C287-L321 HydrophobicContact CB-CD1 4.09Å; L290-L321 HydrophobicContact CD1-CD1 3.68Å; A317-L321 PolarHBondContact O-N 3.07Å; A317-L321 VanDerWaalsContact O-N 3.08Å; F318-L321 PolarHBondContact O-N 3.21Å; L321-L324 HydrophobicContact CD2-CD1 4.49Å; L321-L324 PolarHBondContact O-N 2.83Å; L321-L325 PolarHBondContact O-N 2.85Å; L321-F343 HydrophobicContact CB-CD2 4.25Å; L321-F343 HydrophobicContact CB-CE2 3.84Å; L321-F343 HydrophobicContact CB-CZ 4.26Å; L321-F343 WeakPolarHBondContact O-CE2 3.2Å
322	L	92	Very high	88.8	Confident	36 Å²	36	59.6 Å²	59.6	19%	0.188	34%	0.344	C	S	.	.	H	α-helix	trans	-69.1	-35.1	175.8	-174.8	62.4	0	0	0	112.6	F318 F319 V320 L325 A326 F343 M347	F318-L322 PolarHBondContact O-N 2.88Å; F319-L322 WeakPolarHBondContact O-CB 3.23Å; F319-L322 PolarHBondContact O-N 2.75Å; V320-L322 VanDerWaalsContact C-N 3.29Å; V320-L322 PolarHBondContact O-N 3.3Å; L322-L325 HydrophobicContact CD1-CD2 4.46Å; L322-L325 PolarHBondContact O-N 2.04Å; L322-A326 WeakPolarHBondContact O-CB 3.5Å; L322-A326 PolarHBondContact O-N 2.75Å; L322-F343 HydrophobicContact CB-CD2 4.26Å; L322-F343 HydrophobicContact CD1-CB 4.35Å; L322-F343 HydrophobicContact CD1-CD2 4.25Å; L322-M347 HydrophobicContact CD2-SD 4.07Å
323	L	92.4	Very high	87.9	Confident	84 Å²	84	56.2 Å²	56.2	44%	0.44	33%	0.33	S	S	.	.	H	α-helix	trans	-65.2	-46.9	172.2	-67.9	174.5	0	0	0	111.6	F319 V320 L325 A326 E327	F319-L323 HydrophobicContact CD1-CD1 4.22Å; F319-L323 HydrophobicContact CE1-CD1 3.8Å; F319-L323 HydrophobicContact CE1-CG 4.33Å; F319-L323 HydrophobicContact CZ-CD1 4.19Å; F319-L323 HydrophobicContact CZ-CD2 4.24Å; F319-L323 HydrophobicContact CZ-CG 4.32Å; F319-L323 WeakPolarHBondContact O-CG 3.46Å; F319-L323 PolarHBondContact O-N 2.92Å; V320-L323 PolarHBondContact O-N 2.77Å; L323-L325 VanDerWaalsContact C-N 3.27Å; L323-L325 PolarHBondContact O-N 2.96Å; L323-A326 PolarHBondContact O-N 2.84Å; L323-E327 PolarHBondContact O-N 2.74Å
324	L	92.2	Very high	87.2	Confident	73 Å²	73	60 Å²	60	38%	0.382	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-35.5	176.9	-69.3	171.1	0	0	0	112.5	L283 V320 L321 S328	L283-L324 HydrophobicContact CD2-CB 4.27Å; V320-L324 HydrophobicContact CG1-CD1 4.41Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 2.69Å; V320-L324 VanDerWaalsContact O-N 3.08Å; L321-L324 HydrophobicContact CD2-CD1 4.49Å; L321-L324 PolarHBondContact O-N 2.83Å; L324-S328 WeakPolarHBondContact O-CB 3.28Å; L324-S328 PolarHBondContact O-N 2.81Å; L324-S328 PolarHBondContact O-OG 2.63Å
325	L	90.2	Very high	86.8	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-65.7	-47.1	171.2	-179	65.9	0	0	0	111.1	F172 L283 L321 L322 L323 E327 S328 T329 P337 I339 F343	F172-L325 HydrophobicContact CD1-CD1 3.91Å; F172-L325 HydrophobicContact CE1-CD1 3.72Å; L283-L325 HydrophobicContact CD1-CD1 4.24Å; L321-L325 PolarHBondContact O-N 2.85Å; L322-L325 HydrophobicContact CD1-CD2 4.46Å; L322-L325 PolarHBondContact O-N 2.04Å; L323-L325 VanDerWaalsContact C-N 3.27Å; L323-L325 PolarHBondContact O-N 2.96Å; L325-E327 VanDerWaalsContact C-N 3.33Å; L325-E327 PolarHBondContact O-N 2.76Å; L325-S328 CarbonylContact O-C 3.55Å; L325-S328 WeakPolarHBondContact O-CA 3.32Å; L325-S328 WeakPolarHBondContact O-CB 3.41Å; L325-S328 PolarHBondContact O-N 3.37Å; L325-T329 HydrophobicContact CD1-CG2 3.83Å; L325-T329 HydrophobicContact CG-CG2 4.31Å; L325-T329 WeakPolarHBondContact O-CG2 3.45Å; L325-T329 PolarHBondContact O-N 2.91Å; L325-T329 VanDerWaalsContact O-N 3.14Å; L325-T329 PolarHBondContact O-OG1 3Å; L325-T329 VanDerWaalsContact O-OG1 3.08Å; L325-P337 HydrophobicContact CD2-CG 4.31Å; L325-I339 HydrophobicContact CD1-CG2 4.01Å; L325-I339 HydrophobicContact CD2-CG2 4.07Å; L325-F343 HydrophobicContact CB-CE2 4.15Å; L325-F343 HydrophobicContact CD2-CD2 4.15Å; L325-F343 HydrophobicContact CD2-CE2 4.07Å
326	A	88.5	Confident	86.4	Confident	59 Å²	59	64.6 Å²	64.6	49%	0.488	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-32.5	-178.4	0	0	0	0	0	113.7	L322 L323 S328	L322-A326 WeakPolarHBondContact O-CB 3.5Å; L322-A326 PolarHBondContact O-N 2.75Å; L323-A326 PolarHBondContact O-N 2.84Å; A326-S328 VanDerWaalsContact C-N 3.29Å
327	E	87.2	Confident	86.1	Confident	142 Å²	142	60.7 Å²	60.7	66%	0.664	34%	0.342	S	S	*	.	H	α-helix	trans	-69	-29.2	170.9	-69.5	178.2	168.5	0	0	112.3	N83 L323 L325	N83-E327 PolarHBondContact ND2-O 3.17Å; L323-E327 PolarHBondContact O-N 2.74Å; L325-E327 VanDerWaalsContact C-N 3.33Å; L325-E327 PolarHBondContact O-N 2.76Å
328	S	83.4	Confident	85.8	Confident	39 Å²	39	61.5 Å²	61.5	27%	0.273	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.5	-177.9	-54.1	0	0	0	0	114.4	L324 L325 A326	L324-S328 WeakPolarHBondContact O-CB 3.28Å; L324-S328 PolarHBondContact O-N 2.81Å; L324-S328 PolarHBondContact O-OG 2.63Å; L325-S328 CarbonylContact O-C 3.55Å; L325-S328 WeakPolarHBondContact O-CA 3.32Å; L325-S328 WeakPolarHBondContact O-CB 3.41Å; L325-S328 PolarHBondContact O-N 3.37Å; A326-S328 VanDerWaalsContact C-N 3.29Å
329	T	84.3	Confident	85.6	Confident	12 Å²	12	62.8 Å²	62.8	7%	0.074	35%	0.348	C	S	.	.	S	Bend	trans	-136.7	138.9	-174.1	60.2	0	0	0	0	112.7	N83 I169 F172 L325 S331	N83-T329 PolarHBondContact OD1-O 3.14Å; I169-T329 HydrophobicContact CD1-CG2 3.94Å; F172-T329 HydrophobicContact CD1-CG2 4.41Å; F172-T329 HydrophobicContact CE1-CG2 4.41Å; L325-T329 HydrophobicContact CD1-CG2 3.83Å; L325-T329 HydrophobicContact CG-CG2 4.31Å; L325-T329 WeakPolarHBondContact O-CG2 3.45Å; L325-T329 PolarHBondContact O-N 2.91Å; L325-T329 VanDerWaalsContact O-N 3.14Å; L325-T329 PolarHBondContact O-OG1 3Å; L325-T329 VanDerWaalsContact O-OG1 3.08Å; T329-S331 PolarHBondContact O-N 3.13Å
330	P	83.6	Confident	85.4	Confident	5 Å²	5	58 Å²	58	3%	0.032	33%	0.327	C	S	.	.			trans	-55.7	134.7	-176.8	7.1	-20.3	0	0	0	114.4	E82 N83 I169 A332 V333	E82-P330 HydrophobicContact CB-CG 4.02Å; E82-P330 WeakPolarHBondContact O-CB 3.47Å; E82-P330 WeakPolarHBondContact O-CG 3.47Å; N83-P330 WeakPolarHBondContact OD1-CA 3.32Å; I169-P330 HydrophobicContact CG2-CG 4.26Å; P330-A332 PolarHBondContact O-N 2.84Å; P330-V333 HydrophobicContact CB-CG1 3.91Å; P330-V333 HydrophobicContact CG-CG1 3.64Å; P330-V333 VanDerWaalsContact O-CG1 3.24Å; P330-V333 WeakPolarHBondContact O-CG1 3.39Å
331	S	75.9	Confident	85.1	Confident	128 Å²	128	57.2 Å²	57.2	90%	0.895	32%	0.322	S	S	*	.	S	Bend	trans	-63.6	-19.7	174	-42.3	0	0	0	0	113.5	T329	T329-S331 PolarHBondContact O-N 3.13Å
332	A	68.6	Low	84.9	Confident	74 Å²	74	57.6 Å²	57.6	61%	0.612	32%	0.323	S	S	*	.	S	Bend	trans	-114.5	90.4	179.9	0	0	0	0	0	109.9	Q85 P330	Q85-A332 PolarHBondContact NE2-O 3.2Å; P330-A332 PolarHBondContact O-N 2.84Å
333	V	71.3	Confident	84.8	Confident	49 Å²	49	55.9 Å²	55.9	30%	0.297	31%	0.314	S	S	.	.			trans	-128.3	138.7	-177.7	-72.3	0	0	0	0	112.2	I169 P330	I169-V333 HydrophobicContact CD1-CB 4.31Å; I169-V333 HydrophobicContact CD1-CG1 3.61Å; I169-V333 HydrophobicContact CD1-CG2 4.4Å; I169-V333 HydrophobicContact CG1-CB 4.41Å; I169-V333 HydrophobicContact CG1-CG1 3.86Å; P330-V333 HydrophobicContact CB-CG1 3.91Å; P330-V333 HydrophobicContact CG-CG1 3.64Å; P330-V333 VanDerWaalsContact O-CG1 3.24Å; P330-V333 WeakPolarHBondContact O-CG1 3.39Å
334	K	77.5	Confident	84.7	Confident	178 Å²	178	54 Å²	54	77%	0.774	31%	0.307	S	S	*	.	S	Bend	trans	-68.8	-37.9	175.6	-176.9	-179	-179.9	-178.3	0	112.2
335	N	81.8	Confident	84.5	Confident	67 Å²	67	53.9 Å²	53.9	36%	0.358	31%	0.306	S	S	.	.	S	Bend	trans	-126.8	133.7	179.3	-64	-26	0	0	0	108.9	E168 T170	E168-N335 PolarHBondContact OE1-ND2 3.43Å; T170-N335 VanDerWaalsContact OG1-CB 3.28Å; T170-N335 WeakPolarHBondContact OG1-CB 3.5Å; T170-N335 PolarHBondContact OG1-ND2 3.37Å; T170-N335 VanDerWaalsContact OG1-ND2 3.11Å
336	F	83.7	Confident	84.4	Confident	110 Å²	110	54 Å²	54	48%	0.482	31%	0.307	S	S	.	.			trans	-78	140.9	173.4	-165.9	-106.8	0	0	0	110	V341	F336-V341 HydrophobicContact CD1-CG2 3.86Å
337	P	88.8	Confident	84.5	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	29%	0.289	C	S	.	.			trans	-70	138.5	-171.5	29	-35.3	0	0	0	111.5	I169 F172 L325 I339 G340 V341	I169-P337 HydrophobicContact CD1-CB 4.15Å; I169-P337 HydrophobicContact CD1-CG 3.94Å; I169-P337 HydrophobicContact CG1-CB 4.33Å; I169-P337 WeakPolarHBondContact O-CB 3.31Å; F172-P337 HydrophobicContact CB-CB 4.45Å; L325-P337 HydrophobicContact CD2-CG 4.31Å; P337-I339 HydrophobicContact CB-CG2 4.27Å; P337-I339 PolarHBondContact O-N 2.91Å; P337-G340 WeakPolarHBondContact O-CA 3.25Å; P337-G340 PolarHBondContact O-N 3.24Å; P337-V341 PolarHBondContact O-N 3.11Å; P337-V341 VanDerWaalsContact O-N 3.09Å
338	L	87.7	Confident	84.6	Confident	47 Å²	47	50.6 Å²	50.6	25%	0.246	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-31.1	-176	-72	172.2	0	0	0	113.6	T170 Y171 G340 V341 Y342	T170-L338 WeakPolarHBondContact O-CG 3.47Å; T170-L338 PolarHBondContact O-N 3.37Å; T170-L338 VanDerWaalsContact O-N 3.07Å; Y171-L338 HydrophobicContact CD1-CD1 3.73Å; Y171-L338 HydrophobicContact CE1-CD1 3.7Å; L338-G340 VanDerWaalsContact C-N 3.35Å; L338-V341 PolarHBondContact O-N 3.35Å; L338-Y342 PolarHBondContact O-N 3.03Å
339	I	87.8	Confident	84.8	Confident	27 Å²	27	50.5 Å²	50.5	14%	0.138	28%	0.28	C	S	.	.	H	α-helix	trans	-67.2	-34.2	173.6	-172	60.7	0	0	0	112.3	F172 L325 P337 Y342 F343	F172-I339 HydrophobicContact CD1-CG2 4.28Å; F172-I339 WeakPolarHBondContact O-CG2 3.5Å; L325-I339 HydrophobicContact CD1-CG2 4.01Å; L325-I339 HydrophobicContact CD2-CG2 4.07Å; P337-I339 HydrophobicContact CB-CG2 4.27Å; P337-I339 PolarHBondContact O-N 2.91Å; I339-Y342 HydrophobicContact CD1-CD1 4.45Å; I339-Y342 WeakPolarHBondContact O-CB 3.48Å; I339-Y342 PolarHBondContact O-N 2.85Å; I339-F343 HydrophobicContact CD1-CD1 4.26Å; I339-F343 HydrophobicContact CD1-CE1 3.55Å; I339-F343 HydrophobicContact CD1-CZ 4.15Å; I339-F343 HydrophobicContact CG1-CD1 4.41Å; I339-F343 HydrophobicContact CG1-CE1 3.67Å; I339-F343 HydrophobicContact CG1-CZ 3.8Å; I339-F343 WeakPolarHBondContact O-CD1 3.45Å; I339-F343 WeakPolarHBondContact O-CG 3.18Å; I339-F343 PolarHBondContact O-N 3.5Å
340	G	89.2	Confident	85	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-40.7	171.9	0	0	0	0	0	112	P337 L338 Y342 F343 C344	P337-G340 WeakPolarHBondContact O-CA 3.25Å; P337-G340 PolarHBondContact O-N 3.24Å; L338-G340 VanDerWaalsContact C-N 3.35Å; G340-Y342 VanDerWaalsContact C-N 3.28Å; G340-Y342 PolarHBondContact O-N 2.89Å; G340-F343 PolarHBondContact O-N 3.21Å; G340-C344 PolarHBondContact O-N 2.9Å; G340-C344 PolarHBondContact O-SG 3.38Å; G340-C344 VanDerWaalsContact O-SG 3.39Å
341	V	88.4	Confident	85.2	Confident	55 Å²	55	53.4 Å²	53.4	33%	0.333	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-43	171.8	-176.3	0	0	0	0	110.4	F336 P337 L338 F343 C344 L345	F336-V341 HydrophobicContact CD1-CG2 3.86Å; P337-V341 PolarHBondContact O-N 3.11Å; P337-V341 VanDerWaalsContact O-N 3.09Å; L338-V341 PolarHBondContact O-N 3.35Å; V341-F343 PolarHBondContact O-N 3.33Å; V341-C344 PolarHBondContact O-N 2.9Å; V341-L345 HydrophobicContact CG1-CD1 3.99Å; V341-L345 HydrophobicContact CG1-CG 4.28Å; V341-L345 WeakPolarHBondContact O-CB 3.45Å; V341-L345 VanDerWaalsContact O-CG 3.31Å; V341-L345 WeakPolarHBondContact O-CG 3.48Å; V341-L345 PolarHBondContact O-N 3.49Å
342	Y	88.7	Confident	85.8	Confident	21 Å²	21	51.2 Å²	51.2	8%	0.082	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-42	176.1	-174.2	-104.8	0	0	0	112.6	C287 S291 L338 I339 G340 N346 A585 V586	C287-Y342 VanDerWaalsContact SG-CE1 3.52Å; S291-Y342 PolarHBondContact OG-OH 2.86Å; S291-Y342 VanDerWaalsContact OG-OH 3.07Å; L338-Y342 PolarHBondContact O-N 3.03Å; I339-Y342 HydrophobicContact CD1-CD1 4.45Å; I339-Y342 WeakPolarHBondContact O-CB 3.48Å; I339-Y342 PolarHBondContact O-N 2.85Å; G340-Y342 VanDerWaalsContact C-N 3.28Å; G340-Y342 PolarHBondContact O-N 2.89Å; Y342-N346 WeakPolarHBondContact CE1-ND2 3.48Å; Y342-N346 WeakPolarHBondContact CE2-ND2 3.36Å; Y342-N346 PolarHBondContact O-N 3.15Å; Y342-N346 PolarHBondContact O-ND2 3.42Å; Y342-A585 HydrophobicContact CD2-CB 4.18Å; Y342-A585 HydrophobicContact CE2-CB 4.05Å; Y342-V586 HydrophobicContact CE2-CG2 3.71Å
343	F	90.6	Very high	86.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-48	175.6	-65	-0.6	0	0	0	111.2	C287 L321 L322 L325 I339 G340 V341 L345 N346 M347	C287-F343 HydrophobicContact CB-CE1 3.82Å; C287-F343 HydrophobicContact CB-CZ 4.45Å; C287-F343 WeakPolarHBondContact SG-CE1 3.34Å; L321-F343 HydrophobicContact CB-CD2 4.25Å; L321-F343 HydrophobicContact CB-CE2 3.84Å; L321-F343 HydrophobicContact CB-CZ 4.26Å; L321-F343 WeakPolarHBondContact O-CE2 3.2Å; L322-F343 HydrophobicContact CB-CD2 4.26Å; L322-F343 HydrophobicContact CD1-CB 4.35Å; L322-F343 HydrophobicContact CD1-CD2 4.25Å; L325-F343 HydrophobicContact CB-CE2 4.15Å; L325-F343 HydrophobicContact CD2-CD2 4.15Å; L325-F343 HydrophobicContact CD2-CE2 4.07Å; I339-F343 HydrophobicContact CD1-CD1 4.26Å; I339-F343 HydrophobicContact CD1-CE1 3.55Å; I339-F343 HydrophobicContact CD1-CZ 4.15Å; I339-F343 HydrophobicContact CG1-CD1 4.41Å; I339-F343 HydrophobicContact CG1-CE1 3.67Å; I339-F343 HydrophobicContact CG1-CZ 3.8Å; I339-F343 WeakPolarHBondContact O-CD1 3.45Å; I339-F343 WeakPolarHBondContact O-CG 3.18Å; I339-F343 PolarHBondContact O-N 3.5Å; G340-F343 PolarHBondContact O-N 3.21Å; V341-F343 PolarHBondContact O-N 3.33Å; F343-L345 PolarHBondContact O-N 2.76Å; F343-N346 PolarHBondContact O-N 2.87Å; F343-M347 WeakPolarHBondContact O-CG 3.34Å; F343-M347 PolarHBondContact O-N 2.91Å
344	C	89.9	Confident	87.3	Confident	44 Å²	44	47.5 Å²	47.5	30%	0.297	25%	0.245	S	C	.	.	H	α-helix	trans	-60.5	-42.5	177.9	-69.3	0	0	0	0	112.5	G340 V341 M347 I348	G340-C344 PolarHBondContact O-N 2.9Å; G340-C344 PolarHBondContact O-SG 3.38Å; G340-C344 VanDerWaalsContact O-SG 3.39Å; V341-C344 PolarHBondContact O-N 2.9Å; C344-M347 PolarHBondContact O-N 2.89Å; C344-I348 VanDerWaalsContact O-CG1 3.32Å; C344-I348 WeakPolarHBondContact O-CG1 3.39Å; C344-I348 PolarHBondContact O-N 2.79Å
345	L	88.2	Confident	87.7	Confident	71 Å²	71	45.1 Å²	45.1	37%	0.372	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-42.5	174.8	-73.6	173.7	0	0	0	111.8	V341 F343 I348 M349 A585	V341-L345 HydrophobicContact CG1-CD1 3.99Å; V341-L345 HydrophobicContact CG1-CG 4.28Å; V341-L345 WeakPolarHBondContact O-CB 3.45Å; V341-L345 VanDerWaalsContact O-CG 3.31Å; V341-L345 WeakPolarHBondContact O-CG 3.48Å; V341-L345 PolarHBondContact O-N 3.49Å; F343-L345 PolarHBondContact O-N 2.76Å; L345-I348 PolarHBondContact O-N 3.36Å; L345-M349 WeakPolarHBondContact O-CB 3.48Å; L345-M349 VanDerWaalsContact O-CG 3.29Å; L345-M349 WeakPolarHBondContact O-CG 3.43Å; L345-M349 PolarHBondContact O-N 2.94Å; L345-A585 HydrophobicContact CD1-CB 4.41Å
346	N	87.3	Confident	87.8	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-43.9	175	-85.7	-82.8	0	0	0	112	F318 Y342 F343 I348 M349 I350	F318-N346 HydrophobicContact CD1-CB 4Å; F318-N346 HydrophobicContact CE1-CB 3.59Å; F318-N346 HydrophobicContact CE2-CB 4.27Å; F318-N346 HydrophobicContact CG-CB 4.49Å; F318-N346 HydrophobicContact CZ-CB 3.75Å; Y342-N346 WeakPolarHBondContact CE1-ND2 3.48Å; Y342-N346 WeakPolarHBondContact CE2-ND2 3.36Å; Y342-N346 PolarHBondContact O-N 3.15Å; Y342-N346 PolarHBondContact O-ND2 3.42Å; F343-N346 PolarHBondContact O-N 2.87Å; N346-I348 PolarHBondContact O-N 3.16Å; N346-M349 PolarHBondContact O-N 3.28Å; N346-I350 WeakPolarHBondContact O-CB 3.43Å; N346-I350 WeakPolarHBondContact O-CD1 3.41Å; N346-I350 WeakPolarHBondContact O-CG1 3.41Å; N346-I350 PolarHBondContact O-N 2.76Å
347	M	89.8	Confident	87.9	Confident	22 Å²	22	38.6 Å²	38.6	11%	0.108	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-47.4	175.6	-70.5	179.8	69.8	0	0	111.8	F315 F318 F319 L322 F343 C344 M349 I350 T351	F315-M347 HydrophobicContact CD2-CB 4.3Å; F315-M347 HydrophobicContact CD2-CE 4.22Å; F315-M347 HydrophobicContact CD2-CG 4.47Å; F315-M347 HydrophobicContact CE1-CE 4.04Å; F315-M347 HydrophobicContact CE2-CB 4.05Å; F315-M347 HydrophobicContact CE2-CE 3.55Å; F315-M347 HydrophobicContact CE2-CG 4.4Å; F315-M347 HydrophobicContact CZ-CE 3.44Å; F315-M347 VanDerWaalsContact CZ-CE 3.44Å; F318-M347 HydrophobicContact CB-CG 3.75Å; F318-M347 HydrophobicContact CB-SD 4.41Å; F319-M347 HydrophobicContact CB-CE 3.91Å; F319-M347 HydrophobicContact CD2-CE 4Å; F319-M347 HydrophobicContact CG-CE 4.41Å; L322-M347 HydrophobicContact CD2-SD 4.07Å; F343-M347 WeakPolarHBondContact O-CG 3.34Å; F343-M347 PolarHBondContact O-N 2.91Å; C344-M347 PolarHBondContact O-N 2.89Å; M347-M349 VanDerWaalsContact C-N 3.35Å; M347-M349 PolarHBondContact O-N 3.01Å; M347-I350 PolarHBondContact O-N 2.7Å; M347-T351 PolarHBondContact O-N 2.84Å; M347-T351 PolarHBondContact O-OG1 2.95Å; M347-T351 VanDerWaalsContact O-OG1 3.09Å
348	I	90.6	Very high	87.7	Confident	109 Å²	109	41.2 Å²	41.2	56%	0.559	22%	0.222	S	C	*	.	H	α-helix	trans	-58.9	-46	175.8	-68.1	163.8	0	0	0	110.9	C344 L345 N346 I350 T351 L352	C344-I348 VanDerWaalsContact O-CG1 3.32Å; C344-I348 WeakPolarHBondContact O-CG1 3.39Å; C344-I348 PolarHBondContact O-N 2.79Å; L345-I348 PolarHBondContact O-N 3.36Å; N346-I348 PolarHBondContact O-N 3.16Å; I348-I350 VanDerWaalsContact C-N 3.35Å; I348-I350 PolarHBondContact O-N 3.4Å; I348-T351 PolarHBondContact O-N 3.44Å; I348-L352 WeakPolarHBondContact O-CB 3.23Å; I348-L352 PolarHBondContact O-N 2.84Å
349	M	86.6	Confident	87.6	Confident	37 Å²	37	42.3 Å²	42.3	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-33.9	179.1	-74.5	-58.3	-49.3	0	0	113	L345 N346 M347 S353 Y578 T581	L345-M349 WeakPolarHBondContact O-CB 3.48Å; L345-M349 VanDerWaalsContact O-CG 3.29Å; L345-M349 WeakPolarHBondContact O-CG 3.43Å; L345-M349 PolarHBondContact O-N 2.94Å; N346-M349 PolarHBondContact O-N 3.28Å; M347-M349 VanDerWaalsContact C-N 3.35Å; M347-M349 PolarHBondContact O-N 3.01Å; M349-S353 WeakPolarHBondContact O-CB 3.4Å; M349-S353 PolarHBondContact O-N 3.49Å; M349-Y578 HydrophobicContact CB-CD2 4.32Å; M349-Y578 HydrophobicContact CB-CE2 3.75Å; M349-Y578 HydrophobicContact CE-CD2 3.61Å; M349-Y578 HydrophobicContact CE-CE2 4.16Å; M349-Y578 HydrophobicContact CE-CG 4.34Å; M349-T581 HydrophobicContact CE-CG2 4.28Å; M349-T581 WeakPolarHBondContact CE-OG1 3.4Å; M349-T581 HydrophobicContact SD-CG2 4.25Å
350	I	88.4	Confident	87.4	Confident	5 Å²	5	41 Å²	41	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-73.3	-40.5	175	-67.4	158.3	0	0	0	111.1	T294 G311 I314 F315 F318 N346 M347 I348 S353 T354	T294-I350 HydrophobicContact CG2-CD1 3.91Å; T294-I350 HydrophobicContact CG2-CG1 3.89Å; G311-I350 WeakPolarHBondContact O-CG2 3.43Å; I314-I350 HydrophobicContact CG2-CD1 3.86Å; F315-I350 HydrophobicContact CB-CG2 3.97Å; F318-I350 HydrophobicContact CD2-CD1 3.5Å; F318-I350 VanDerWaalsContact CD2-CD1 3.5Å; F318-I350 HydrophobicContact CE2-CD1 3.63Å; F318-I350 HydrophobicContact CG-CD1 4.43Å; N346-I350 WeakPolarHBondContact O-CB 3.43Å; N346-I350 WeakPolarHBondContact O-CD1 3.41Å; N346-I350 WeakPolarHBondContact O-CG1 3.41Å; N346-I350 PolarHBondContact O-N 2.76Å; M347-I350 PolarHBondContact O-N 2.7Å; I348-I350 VanDerWaalsContact C-N 3.35Å; I348-I350 PolarHBondContact O-N 3.4Å; I350-S353 PolarHBondContact O-N 2.91Å; I350-T354 HydrophobicContact CG2-CG2 4.46Å; I350-T354 WeakPolarHBondContact O-CB 3.49Å; I350-T354 WeakPolarHBondContact O-CG2 3.29Å; I350-T354 PolarHBondContact O-N 2.9Å; I350-T354 PolarHBondContact O-OG1 3.36Å
351	T	89.3	Confident	87.1	Confident	72 Å²	72	42.7 Å²	42.7	44%	0.442	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-43.7	173.6	-59.6	0	0	0	0	111.1	F315 M347 I348 T354 F355	F315-T351 WeakPolarHBondContact CE2-OG1 2.97Å; M347-T351 PolarHBondContact O-N 2.84Å; M347-T351 PolarHBondContact O-OG1 2.95Å; M347-T351 VanDerWaalsContact O-OG1 3.09Å; I348-T351 PolarHBondContact O-N 3.44Å; T351-T354 PolarHBondContact O-N 2.91Å; T351-T354 PolarHBondContact O-OG1 2.84Å; T351-T354 VanDerWaalsContact O-OG1 3.1Å; T351-F355 WeakPolarHBondContact O-CB 3.45Å; T351-F355 PolarHBondContact O-N 2.84Å
352	L	88.1	Confident	86.9	Confident	82 Å²	82	45.5 Å²	45.5	43%	0.429	24%	0.239	S	C	.	.	H	α-helix	trans	-64.2	-44	174.1	-177.7	59.8	0	0	0	111.6	I348 T354 F355 L356	I348-L352 WeakPolarHBondContact O-CB 3.23Å; I348-L352 PolarHBondContact O-N 2.84Å; L352-T354 PolarHBondContact O-N 3Å; L352-F355 PolarHBondContact O-N 2.78Å; L352-L356 HydrophobicContact CD1-CD1 3.99Å; L352-L356 HydrophobicContact CD1-CG 4.14Å; L352-L356 HydrophobicContact CG-CD1 3.91Å; L352-L356 HydrophobicContact CG-CG 4.46Å; L352-L356 WeakPolarHBondContact O-CB 3.39Å; L352-L356 VanDerWaalsContact O-CG 3.24Å; L352-L356 WeakPolarHBondContact O-CG 3.5Å; L352-L356 PolarHBondContact O-N 2.76Å
353	S	85.6	Confident	86.5	Confident	12 Å²	12	46 Å²	46	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-44.9	176.8	-179.4	0	0	0	0	112.7	F298 M349 I350 L356 A357	F298-S353 WeakPolarHBondContact CZ-OG 3.48Å; M349-S353 WeakPolarHBondContact O-CB 3.4Å; M349-S353 PolarHBondContact O-N 3.49Å; I350-S353 PolarHBondContact O-N 2.91Å; S353-L356 PolarHBondContact O-N 2.83Å; S353-A357 WeakPolarHBondContact O-CB 3.45Å; S353-A357 PolarHBondContact O-N 3.35Å
354	T	84.6	Confident	85.8	Confident	33 Å²	33	47.8 Å²	47.8	20%	0.202	25%	0.25	C	C	.	.	H	α-helix	trans	-71.3	-37.6	-179.6	48.9	0	0	0	0	111.8	I350 T351 L352 A357 T358	I350-T354 HydrophobicContact CG2-CG2 4.46Å; I350-T354 WeakPolarHBondContact O-CB 3.49Å; I350-T354 WeakPolarHBondContact O-CG2 3.29Å; I350-T354 PolarHBondContact O-N 2.9Å; I350-T354 PolarHBondContact O-OG1 3.36Å; T351-T354 PolarHBondContact O-N 2.91Å; T351-T354 PolarHBondContact O-OG1 2.84Å; T351-T354 VanDerWaalsContact O-OG1 3.1Å; L352-T354 PolarHBondContact O-N 3Å; T354-A357 PolarHBondContact O-N 2.96Å; T354-T358 PolarHBondContact O-N 3.2Å
355	F	86.7	Confident	85.2	Confident	128 Å²	128	52 Å²	52	56%	0.561	26%	0.263	S	S	*	.	H	α-helix	trans	-62.5	-42.6	170.9	177.4	-97.1	0	0	0	112.8	T351 L352 A357 T358 L359	T351-F355 WeakPolarHBondContact O-CB 3.45Å; T351-F355 PolarHBondContact O-N 2.84Å; L352-F355 PolarHBondContact O-N 2.78Å; F355-A357 VanDerWaalsContact C-N 3.32Å; F355-A357 PolarHBondContact O-N 2.89Å; F355-T358 PolarHBondContact O-N 2.91Å; F355-T358 PolarHBondContact O-OG1 2.95Å; F355-L359 PolarHBondContact O-N 3.05Å
356	L	85	Confident	84.5	Confident	35 Å²	35	54.1 Å²	54.1	18%	0.183	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-34.1	175.7	-69.1	172.3	0	0	0	111.7	L352 S353 L359 V360 F574	L352-L356 HydrophobicContact CD1-CD1 3.99Å; L352-L356 HydrophobicContact CD1-CG 4.14Å; L352-L356 HydrophobicContact CG-CD1 3.91Å; L352-L356 HydrophobicContact CG-CG 4.46Å; L352-L356 WeakPolarHBondContact O-CB 3.39Å; L352-L356 VanDerWaalsContact O-CG 3.24Å; L352-L356 WeakPolarHBondContact O-CG 3.5Å; L352-L356 PolarHBondContact O-N 2.76Å; S353-L356 PolarHBondContact O-N 2.83Å; L356-L359 PolarHBondContact O-N 2.63Å; L356-V360 VanDerWaalsContact O-CG2 3.3Å; L356-V360 WeakPolarHBondContact O-CG2 3.46Å; L356-V360 PolarHBondContact O-N 3.29Å; L356-F574 HydrophobicContact CB-CD2 3.86Å; L356-F574 HydrophobicContact CB-CE2 3.86Å; L356-F574 HydrophobicContact CB-CG 4.38Å; L356-F574 HydrophobicContact CB-CZ 4.39Å; L356-F574 HydrophobicContact CD1-CD1 3.81Å; L356-F574 HydrophobicContact CD1-CD2 4.23Å; L356-F574 HydrophobicContact CD1-CE1 3.99Å; L356-F574 HydrophobicContact CD1-CE2 4.39Å; L356-F574 HydrophobicContact CD1-CG 3.95Å; L356-F574 HydrophobicContact CD1-CZ 4.28Å; L356-F574 HydrophobicContact CD2-CE1 4.14Å; L356-F574 HydrophobicContact CD2-CE2 4.12Å; L356-F574 HydrophobicContact CD2-CZ 3.8Å; L356-F574 HydrophobicContact CG-CD2 4.49Å; L356-F574 HydrophobicContact CG-CE2 4.34Å; L356-F574 HydrophobicContact CG-CZ 4.38Å
357	A	83.8	Confident	83.5	Confident	6 Å²	6	54.1 Å²	54.1	5%	0.05	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-42.6	173.2	0	0	0	0	0	112.6	S353 T354 F355 L359 V360 I361	S353-A357 WeakPolarHBondContact O-CB 3.45Å; S353-A357 PolarHBondContact O-N 3.35Å; T354-A357 PolarHBondContact O-N 2.96Å; F355-A357 VanDerWaalsContact C-N 3.32Å; F355-A357 PolarHBondContact O-N 2.89Å; A357-L359 VanDerWaalsContact C-N 3.33Å; A357-L359 PolarHBondContact O-N 2.59Å; A357-V360 PolarHBondContact O-N 3.07Å; A357-I361 VanDerWaalsContact O-CG1 3.31Å; A357-I361 WeakPolarHBondContact O-CG1 3.39Å; A357-I361 PolarHBondContact O-N 3.48Å
358	T	85.2	Confident	82.3	Confident	56 Å²	56	59.5 Å²	59.5	34%	0.344	30%	0.296	S	S	.	.	H	α-helix	trans	-66.9	-34.5	175.4	59	0	0	0	0	112.2	M308 T354 F355 I361 H362	M308-T358 HydrophobicContact CE-CG2 3.51Å; M308-T358 HydrophobicContact CG-CG2 4.49Å; M308-T358 HydrophobicContact SD-CG2 3.86Å; T354-T358 PolarHBondContact O-N 3.2Å; F355-T358 PolarHBondContact O-N 2.91Å; F355-T358 PolarHBondContact O-OG1 2.95Å; T358-I361 PolarHBondContact O-N 3.44Å; T358-H362 WeakPolarHBondContact O-CB 3.37Å; T358-H362 PolarHBondContact O-N 3.08Å
359	L	85.6	Confident	81.2	Confident	69 Å²	69	64.6 Å²	64.6	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-64	-43	171.4	-176.3	148.4	0	0	0	111.8	F355 L356 A357 H362 L363	F355-L359 PolarHBondContact O-N 3.05Å; L356-L359 PolarHBondContact O-N 2.63Å; A357-L359 VanDerWaalsContact C-N 3.33Å; A357-L359 PolarHBondContact O-N 2.59Å; L359-H362 PolarHBondContact O-N 2.93Å; L359-L363 HydrophobicContact CD2-CD1 3.73Å; L359-L363 HydrophobicContact CD2-CG 4.25Å; L359-L363 WeakPolarHBondContact O-CG 3.49Å; L359-L363 PolarHBondContact O-N 3.28Å
360	V	83.5	Confident	80.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-41.6	174.8	168.9	0	0	0	0	111.3	P302 L356 A357 L363 Y364 A567 L570 F574	P302-V360 HydrophobicContact CB-CG1 3.75Å; P302-V360 HydrophobicContact CG-CG1 4.16Å; L356-V360 VanDerWaalsContact O-CG2 3.3Å; L356-V360 WeakPolarHBondContact O-CG2 3.46Å; L356-V360 PolarHBondContact O-N 3.29Å; A357-V360 PolarHBondContact O-N 3.07Å; V360-L363 PolarHBondContact O-N 3.19Å; V360-Y364 WeakPolarHBondContact O-CB 3.4Å; V360-Y364 PolarHBondContact O-N 3.31Å; V360-A567 HydrophobicContact CG1-CB 3.77Å; V360-L570 HydrophobicContact CG2-CB 4.04Å; V360-L570 HydrophobicContact CG2-CD1 4.48Å; V360-F574 HydrophobicContact CG2-CD2 4.37Å; V360-F574 HydrophobicContact CG2-CE2 3.87Å
361	I	83	Confident	79.1	Confident	35 Å²	35	69.5 Å²	69.5	18%	0.179	35%	0.348	C	S	.	.	H	α-helix	trans	-62.6	-43	173.8	-70.3	163.5	0	0	0	111.3	P302 M308 A357 T358 L363 Y364 F365	P302-I361 VanDerWaalsContact O-CG1 3.26Å; P302-I361 WeakPolarHBondContact O-CG1 3.49Å; M308-I361 HydrophobicContact CG-CD1 4.15Å; M308-I361 HydrophobicContact SD-CD1 3.72Å; A357-I361 VanDerWaalsContact O-CG1 3.31Å; A357-I361 WeakPolarHBondContact O-CG1 3.39Å; A357-I361 PolarHBondContact O-N 3.48Å; T358-I361 PolarHBondContact O-N 3.44Å; I361-L363 PolarHBondContact O-N 3.02Å; I361-Y364 WeakPolarHBondContact O-CB 3.21Å; I361-Y364 PolarHBondContact O-N 2.95Å; I361-F365 HydrophobicContact CG2-CD2 3.84Å; I361-F365 HydrophobicContact CG2-CE2 3.82Å; I361-F365 WeakPolarHBondContact O-CD2 3.2Å; I361-F365 PolarHBondContact O-N 3.35Å; I361-F365 VanDerWaalsContact O-N 3.08Å
362	H	84	Confident	78.2	Confident	115 Å²	115	69.9 Å²	69.9	53%	0.532	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-43.6	175.8	-178.6	87.9	0	0	0	111.8	T358 L359 R366	T358-H362 WeakPolarHBondContact O-CB 3.37Å; T358-H362 PolarHBondContact O-N 3.08Å; L359-H362 PolarHBondContact O-N 2.93Å; H362-R366 VanDerWaalsContact O-CB 3.23Å; H362-R366 WeakPolarHBondContact O-CB 3.33Å; H362-R366 PolarHBondContact O-N 3.48Å
363	L	80	Confident	77.5	Confident	31 Å²	31	66.3 Å²	66.3	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-35.7	176.3	-67.4	-178.5	0	0	0	112.7	L359 V360 I361 R366 G367 W563 L566 L570	L359-L363 HydrophobicContact CD2-CD1 3.73Å; L359-L363 HydrophobicContact CD2-CG 4.25Å; L359-L363 WeakPolarHBondContact O-CG 3.49Å; L359-L363 PolarHBondContact O-N 3.28Å; V360-L363 PolarHBondContact O-N 3.19Å; I361-L363 PolarHBondContact O-N 3.02Å; L363-R366 PolarHBondContact O-N 3.34Å; L363-G367 PolarHBondContact O-N 3.1Å; L363-W563 HydrophobicContact CD2-CZ3 4.13Å; L363-L566 HydrophobicContact CD1-CD2 4.12Å; L363-L570 HydrophobicContact CD1-CD1 3.89Å
364	Y	76.9	Confident	77.2	Confident	37 Å²	37	69.2 Å²	69.2	15%	0.145	35%	0.353	C	S	.	.	H	α-helix	trans	-58	-56.3	173.8	-179.4	-78.5	0	0	0	111	E303 V360 I361 R366 G367 R564 A567	E303-Y364 VanDerWaalsContact CD-OH 3.25Å; E303-Y364 HydrophobicContact CG-CD2 4.32Å; E303-Y364 HydrophobicContact CG-CE2 3.53Å; E303-Y364 WeakPolarHBondContact OE1-CE2 3.49Å; E303-Y364 PolarHBondContact OE1-OH 2.95Å; V360-Y364 WeakPolarHBondContact O-CB 3.4Å; V360-Y364 PolarHBondContact O-N 3.31Å; I361-Y364 WeakPolarHBondContact O-CB 3.21Å; I361-Y364 PolarHBondContact O-N 2.95Å; Y364-R366 VanDerWaalsContact C-N 3.31Å; Y364-R366 PolarHBondContact O-N 2.85Å; Y364-G367 PolarHBondContact O-N 3.25Å; Y364-R564 HydrophobicContact CD2-CG 4.08Å; Y364-R564 HydrophobicContact CE2-CB 4.46Å; Y364-R564 HydrophobicContact CE2-CG 3.56Å; Y364-R564 PolarHBondContact OH-NE 3.03Å; Y364-R564 PolarHBondContact OH-NH2 3.35Å; Y364-A567 HydrophobicContact CD2-CB 4.45Å
365	F	77.4	Confident	76.6	Confident	134 Å²	134	74.6 Å²	74.6	59%	0.588	37%	0.371	S	S	*	.	H	α-helix	trans	-71	-24.6	-179.8	-73.1	-65.3	0	0	0	113.4	I361 G367 D368	I361-F365 HydrophobicContact CG2-CD2 3.84Å; I361-F365 HydrophobicContact CG2-CE2 3.82Å; I361-F365 WeakPolarHBondContact O-CD2 3.2Å; I361-F365 PolarHBondContact O-N 3.35Å; I361-F365 VanDerWaalsContact O-N 3.08Å; F365-G367 PolarHBondContact O-N 3.13Å; F365-D368 PolarHBondContact O-N 2.98Å
366	R	73.5	Confident	76.3	Confident	114 Å²	114	73.2 Å²	73.2	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-28.6	173.2	-172.9	175.2	-173.4	121.5	0.2	112.5	H362 L363 Y364 D368 R369 N370	H362-R366 VanDerWaalsContact O-CB 3.23Å; H362-R366 WeakPolarHBondContact O-CB 3.33Å; H362-R366 PolarHBondContact O-N 3.48Å; L363-R366 PolarHBondContact O-N 3.34Å; Y364-R366 VanDerWaalsContact C-N 3.31Å; Y364-R366 PolarHBondContact O-N 2.85Å; R366-D368 VanDerWaalsContact C-N 3.25Å; R366-D368 PolarHBondContact O-N 2.79Å; R366-R369 PolarHBondContact O-N 2.87Å; R366-N370 PolarHBondContact O-N 2.63Å
367	G	65.9	Low	75.9	Confident	4 Å²	4	74.3 Å²	74.3	4%	0.041	38%	0.378	C	S	.	.	H	α-helix	trans	-70	-14	-179.8	0	0	0	0	0	116.1	L363 Y364 F365 W563	L363-G367 PolarHBondContact O-N 3.1Å; Y364-G367 PolarHBondContact O-N 3.25Å; F365-G367 PolarHBondContact O-N 3.13Å; G367-W563 VanDerWaalsContact CA-CG 3.41Å
368	D	65.7	Low	75.6	Confident	135 Å²	135	75.5 Å²	75.5	72%	0.722	38%	0.382	S	S	*	.	H	α-helix	trans	-86.9	-26.9	172.5	-170.1	58.7	0	0	0	112.1	F365 R366	F365-D368 PolarHBondContact O-N 2.98Å; R366-D368 VanDerWaalsContact C-N 3.25Å; R366-D368 PolarHBondContact O-N 2.79Å
369	R	66.7	Low	75.2	Confident	216 Å²	216	79.7 Å²	79.7	82%	0.815	39%	0.391	S	S	*	.	H	α-helix	trans	-100.4	-23.3	-173.2	-70.5	-177.8	170.3	179.7	-3.9	115.2	R366	R366-R369 PolarHBondContact O-N 2.87Å
370	N	63.2	Low	75	Confident	95 Å²	95	81.2 Å²	81.2	51%	0.508	40%	0.399	S	S	.	.	S	Bend	trans	-127.6	158	-178.5	-85.9	-69.5	0	0	0	111.8	R366	R366-N370 PolarHBondContact O-N 2.63Å
371	G	66.7	Low	74.7	Confident	51 Å²	51	81.8 Å²	81.8	53%	0.526	40%	0.401	S	S	.	.			trans	-66.5	-168.9	-172.4	0	0	0	0	0	116.2	W563	G371-W563 PolarHBondContact O-NE1 2.88Å
372	S	70.6	Confident	74.1	Confident	80 Å²	80	80.8 Å²	80.8	56%	0.559	40%	0.397	S	S	*	.	S	Bend	trans	-46.9	138.8	-177.9	51.2	0	0	0	0	113.4
373	V	73.1	Confident	73.5	Confident	7 Å²	7	78.4 Å²	78.4	4%	0.042	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-47.4	129.6	179.2	-179.3	0	0	0	0	110.7	Y375 L377 R378 E562 W563 L566	V373-Y375 PolarHBondContact O-N 2.95Å; V373-L377 HydrophobicContact CG1-CB 4.12Å; V373-L377 HydrophobicContact CG1-CD2 4.24Å; V373-L377 HydrophobicContact CG1-CG 4.37Å; V373-R378 HydrophobicContact CB-CB 4.48Å; V373-R378 HydrophobicContact CG1-CB 4.03Å; V373-E562 HydrophobicContact CG2-CB 3.78Å; V373-W563 HydrophobicContact CG2-CD2 3.83Å; V373-W563 HydrophobicContact CG2-CE3 4.41Å; V373-W563 HydrophobicContact CG2-CG 3.98Å; V373-W563 HydrophobicContact CG2-CZ2 4.29Å; V373-L566 HydrophobicContact CG1-CD1 3.64Å; V373-L566 HydrophobicContact CG2-CD1 4.38Å
374	P	79.5	Confident	73.3	Confident	72 Å²	72	78.7 Å²	78.7	47%	0.468	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-52.6	134.7	178.2	-28	35.1	0	0	0	112.1	V376 L377 R378	P374-V376 VanDerWaalsContact C-N 3.26Å; P374-V376 PolarHBondContact O-N 2.91Å; P374-V376 VanDerWaalsContact O-N 3.12Å; P374-L377 HydrophobicContact CB-CB 4.25Å; P374-L377 WeakPolarHBondContact O-CA 3.41Å; P374-L377 WeakPolarHBondContact O-CB 3.47Å; P374-L377 PolarHBondContact O-N 3.21Å; P374-R378 PolarHBondContact O-N 2.94Å
375	Y	73.6	Confident	73.3	Confident	147 Å²	147	78.5 Å²	78.5	58%	0.576	40%	0.397	S	S	*	.	H	α-helix	trans	-52	-41.7	-171	174.3	-103.9	0	0	0	113.7	V373 R379	V373-Y375 PolarHBondContact O-N 2.95Å; Y375-R379 WeakPolarHBondContact O-CB 3.15Å; Y375-R379 PolarHBondContact O-N 2.83Å; Y375-R379 PolarHBondContact OH-NH1 2.93Å
376	V	79.3	Confident	73	Confident	98 Å²	98	72.3 Å²	72.3	59%	0.594	37%	0.371	S	S	*	.	H	α-helix	trans	-61.2	-46.1	176.1	179.7	0	0	0	0	111.4	P374 R379 I380	P374-V376 VanDerWaalsContact C-N 3.26Å; P374-V376 PolarHBondContact O-N 2.91Å; P374-V376 VanDerWaalsContact O-N 3.12Å; V376-R379 PolarHBondContact O-N 2.89Å; V376-I380 HydrophobicContact CG1-CD1 3.72Å; V376-I380 HydrophobicContact CG1-CG1 4.49Å; V376-I380 WeakPolarHBondContact O-CG1 3.41Å; V376-I380 PolarHBondContact O-N 2.86Å
377	L	77.2	Confident	72.8	Confident	58 Å²	58	74.1 Å²	74.1	30%	0.304	38%	0.377	S	S	.	.	H	α-helix	trans	-68.1	-40.8	-177.7	-164.4	68.3	0	0	0	111.5	V373 P374 I381 W563 L566	V373-L377 HydrophobicContact CG1-CB 4.12Å; V373-L377 HydrophobicContact CG1-CD2 4.24Å; V373-L377 HydrophobicContact CG1-CG 4.37Å; P374-L377 HydrophobicContact CB-CB 4.25Å; P374-L377 WeakPolarHBondContact O-CA 3.41Å; P374-L377 WeakPolarHBondContact O-CB 3.47Å; P374-L377 PolarHBondContact O-N 3.21Å; L377-I381 HydrophobicContact CD1-CD1 3.49Å; L377-I381 VanDerWaalsContact CD1-CD1 3.49Å; L377-I381 HydrophobicContact CD1-CG1 4.24Å; L377-I381 HydrophobicContact CG-CD1 3.89Å; L377-I381 WeakPolarHBondContact O-CB 3.31Å; L377-I381 PolarHBondContact O-N 2.62Å; L377-W563 HydrophobicContact CD2-CH2 4.19Å; L377-W563 HydrophobicContact CD2-CZ3 4.16Å; L377-L566 HydrophobicContact CD2-CD1 3.74Å; L377-L566 HydrophobicContact CG-CD1 3.88Å
378	R	76.7	Confident	73.1	Confident	32 Å²	32	80.5 Å²	80.5	12%	0.121	41%	0.41	C	S	.	.	I	π-helix	trans	-58.1	-48.6	170.6	177.5	-174.7	-175.9	119.6	5.2	111.4	V373 P374 I382 E383 E562	V373-R378 HydrophobicContact CB-CB 4.48Å; V373-R378 HydrophobicContact CG1-CB 4.03Å; P374-R378 PolarHBondContact O-N 2.94Å; R378-I382 HydrophobicContact CG-CD1 4.42Å; R378-I382 WeakPolarHBondContact O-CA 3.47Å; R378-I382 WeakPolarHBondContact O-CB 3.38Å; R378-I382 PolarHBondContact O-N 3.14Å; R378-E383 IonicContact NE-OE1 3.82Å; R378-E383 PolarHBondContact O-N 2.58Å; R378-E562 IonicContact CZ-OE1 2.75Å; R378-E562 IonicContact NH1-OE1 3.87Å; R378-E562 PolarHBondContact NH1-OE1 3.39Å; R378-E562 IonicContact NH1-OE2 2.7Å; R378-E562 PolarHBondContact NH1-OE2 3.43Å; R378-E562 IonicContact NH2-OE1 3.84Å
379	R	77.6	Confident	73.2	Confident	144 Å²	144	74.7 Å²	74.7	54%	0.543	38%	0.379	S	S	.	.	I	π-helix	trans	-69.8	-36.7	-175.8	-170.2	168.7	176.7	-177.7	-7.7	113	Y375 V376 E383 G384	Y375-R379 WeakPolarHBondContact O-CB 3.15Å; Y375-R379 PolarHBondContact O-N 2.83Å; Y375-R379 PolarHBondContact OH-NH1 2.93Å; V376-R379 PolarHBondContact O-N 2.89Å; R379-E383 WeakPolarHBondContact O-CB 3.46Å; R379-G384 PolarHBondContact O-N 2.85Å; R379-G384 VanDerWaalsContact O-N 3.15Å
380	I	80.8	Confident	73.2	Confident	100 Å²	100	71.3 Å²	71.3	51%	0.513	38%	0.377	S	S	.	.	I	π-helix	trans	-75.8	-54.1	177.2	-66.2	172.4	0	0	0	111	V376 G384 I385	V376-I380 HydrophobicContact CG1-CD1 3.72Å; V376-I380 HydrophobicContact CG1-CG1 4.49Å; V376-I380 WeakPolarHBondContact O-CG1 3.41Å; V376-I380 PolarHBondContact O-N 2.86Å; I380-G384 VanDerWaalsContact O-CA 3.28Å; I380-G384 WeakPolarHBondContact O-CA 3.41Å; I380-G384 PolarHBondContact O-N 3.04Å; I380-I385 HydrophobicContact CG2-CD1 4.2Å; I380-I385 PolarHBondContact O-N 3.46Å
381	I	76.8	Confident	73.2	Confident	12 Å²	12	68.6 Å²	68.6	6%	0.062	36%	0.363	C	S	.	.	I	π-helix	trans	-79.7	-56.7	-172.6	-56.7	177.4	0	0	0	111.2	L377 I385 G386 L566 V569 L570	L377-I381 HydrophobicContact CD1-CD1 3.49Å; L377-I381 VanDerWaalsContact CD1-CD1 3.49Å; L377-I381 HydrophobicContact CD1-CG1 4.24Å; L377-I381 HydrophobicContact CG-CD1 3.89Å; L377-I381 WeakPolarHBondContact O-CB 3.31Å; L377-I381 PolarHBondContact O-N 2.62Å; I381-I385 HydrophobicContact CG1-CD1 4.32Å; I381-I385 CarbonylContact O-C 3.53Å; I381-I385 WeakPolarHBondContact O-CB 2.77Å; I381-I385 PolarHBondContact O-N 2.94Å; I381-G386 PolarHBondContact O-N 3.16Å; I381-L566 HydrophobicContact CB-CG 4.49Å; I381-L566 HydrophobicContact CD1-CD1 4.25Å; I381-L566 HydrophobicContact CD1-CD2 4.18Å; I381-L566 HydrophobicContact CD1-CG 4.01Å; I381-L566 HydrophobicContact CG2-CG 4.18Å; I381-V569 HydrophobicContact CG2-CB 3.97Å; I381-V569 HydrophobicContact CG2-CG1 3.58Å; I381-L570 HydrophobicContact CD1-CD1 4.18Å; I381-L570 HydrophobicContact CD1-CD2 3.83Å; I381-L570 HydrophobicContact CD1-CG 4.05Å; I381-L570 HydrophobicContact CG1-CD2 4.42Å; I381-L570 HydrophobicContact CG2-CD2 4.41Å; I381-L570 HydrophobicContact CG2-CG 4.32Å
382	I	71.5	Confident	72.6	Confident	15 Å²	15	73.5 Å²	73.5	8%	0.077	37%	0.366	C	S	.	.	I	π-helix	trans	-78.7	-45.7	-170.9	-54	177.3	0	0	0	111	R378 L397 T565 L566	R378-I382 HydrophobicContact CG-CD1 4.42Å; R378-I382 WeakPolarHBondContact O-CA 3.47Å; R378-I382 WeakPolarHBondContact O-CB 3.38Å; R378-I382 PolarHBondContact O-N 3.14Å; I382-L397 HydrophobicContact CG2-CD1 3.99Å; I382-T565 HydrophobicContact CG2-CG2 4.46Å; I382-L566 HydrophobicContact CD1-CB 4.32Å; I382-L566 HydrophobicContact CG1-CB 4.41Å
383	E	70.9	Confident	71.7	Confident	65 Å²	65	78.9 Å²	78.9	30%	0.304	38%	0.382	S	S	.	.	I	π-helix	trans	-85.2	-21.1	-178.2	-61.7	176.4	-161.4	0	0	114.3	R378 R379 R387	R378-E383 IonicContact NE-OE1 3.82Å; R378-E383 PolarHBondContact O-N 2.58Å; R379-E383 WeakPolarHBondContact O-CB 3.46Å; E383-R387 PolarHBondContact O-NE 3.39Å; E383-R387 PolarHBondContact O-NH2 2.98Å; E383-R387 VanDerWaalsContact O-NH2 3.12Å
384	G	76	Confident	70.7	Confident	36 Å²	36	89.6 Å²	89.6	37%	0.371	42%	0.422	S	S	.	.	I	π-helix	trans	-97.5	-83.1	175.2	0	0	0	0	0	111.7	R379 I380 G386 R387	R379-G384 PolarHBondContact O-N 2.85Å; R379-G384 VanDerWaalsContact O-N 3.15Å; I380-G384 VanDerWaalsContact O-CA 3.28Å; I380-G384 WeakPolarHBondContact O-CA 3.41Å; I380-G384 PolarHBondContact O-N 3.04Å; G384-G386 PolarHBondContact O-N 3.3Å; G384-R387 WeakPolarHBondContact O-CB 3.41Å; G384-R387 PolarHBondContact O-N 2.55Å
385	I	76.3	Confident	69.5	Low	34 Å²	34	89.3 Å²	89.3	17%	0.174	42%	0.416	C	S	.	.	I	π-helix	trans	-56.9	-36	-174.4	-63.4	155.7	0	0	0	111.9	I380 I381 R387 L388 T389 V569 L573	I380-I385 HydrophobicContact CG2-CD1 4.2Å; I380-I385 PolarHBondContact O-N 3.46Å; I381-I385 HydrophobicContact CG1-CD1 4.32Å; I381-I385 CarbonylContact O-C 3.53Å; I381-I385 WeakPolarHBondContact O-CB 2.77Å; I381-I385 PolarHBondContact O-N 2.94Å; I385-R387 PolarHBondContact O-N 3.43Å; I385-R387 VanDerWaalsContact O-N 3.17Å; I385-L388 WeakPolarHBondContact O-CA 3.35Å; I385-L388 WeakPolarHBondContact O-CB 3.27Å; I385-L388 PolarHBondContact O-N 3.13Å; I385-T389 HydrophobicContact CG2-CG2 3.9Å; I385-T389 PolarHBondContact O-N 2.7Å; I385-T389 PolarHBondContact O-OG1 3.12Å; I385-V569 HydrophobicContact CB-CG1 4.09Å; I385-V569 HydrophobicContact CG2-CG1 3.71Å; I385-L573 HydrophobicContact CD1-CD2 4.06Å; I385-L573 HydrophobicContact CG2-CB 4.08Å; I385-L573 HydrophobicContact CG2-CD1 4.1Å; I385-L573 HydrophobicContact CG2-CD2 4.27Å; I385-L573 HydrophobicContact CG2-CG 4.38Å
386	G	70.8	Confident	68.6	Low	3 Å²	3	88.2 Å²	88.2	3%	0.031	43%	0.427	C	S	.	.	H	α-helix	trans	-64.7	-14.5	177	0	0	0	0	0	115.5	I381 G384 R392	I381-G386 PolarHBondContact O-N 3.16Å; G384-G386 PolarHBondContact O-N 3.3Å; G386-R392 WeakPolarHBondContact O-CB 3.49Å; G386-R392 PolarHBondContact O-N 2.73Å
387	R	70.1	Confident	67.5	Low	152 Å²	152	86.7 Å²	86.7	57%	0.574	42%	0.415	S	S	*	.	H	α-helix	trans	-80.9	-43	164.5	-63.7	-172.3	-133.8	-161	3.2	111.5	E383 G384 I385 L390	E383-R387 PolarHBondContact O-NE 3.39Å; E383-R387 PolarHBondContact O-NH2 2.98Å; E383-R387 VanDerWaalsContact O-NH2 3.12Å; G384-R387 WeakPolarHBondContact O-CB 3.41Å; G384-R387 PolarHBondContact O-N 2.55Å; I385-R387 PolarHBondContact O-N 3.43Å; I385-R387 VanDerWaalsContact O-N 3.17Å; R387-L390 PolarHBondContact O-N 3.42Å
388	L	71.7	Confident	66.5	Low	139 Å²	139	87.7 Å²	87.7	73%	0.728	43%	0.425	S	S	*	.	H	α-helix	trans	-65.7	-39.8	-178.3	-173.8	65.8	0	0	0	111.9	I385 L390	I385-L388 WeakPolarHBondContact O-CA 3.35Å; I385-L388 WeakPolarHBondContact O-CB 3.27Å; I385-L388 PolarHBondContact O-N 3.13Å; L388-L390 VanDerWaalsContact C-N 3.29Å; L388-L390 PolarHBondContact O-N 3.05Å
389	T	68.5	Low	65.2	Low	12 Å²	12	95 Å²	95	7%	0.074	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	9.6	179.5	60.1	0	0	0	0	114.1	I385 V391 R572 F576	I385-T389 HydrophobicContact CG2-CG2 3.9Å; I385-T389 PolarHBondContact O-N 2.7Å; I385-T389 PolarHBondContact O-OG1 3.12Å; T389-V391 PolarHBondContact O-N 3.37Å; T389-R572 HydrophobicContact CG2-CB 4.37Å; T389-F576 HydrophobicContact CG2-CD2 4.07Å; T389-F576 HydrophobicContact CG2-CE2 4.12Å
390	L	65.8	Low	63.8	Low	146 Å²	146	95.5 Å²	95.5	76%	0.764	47%	0.471	S	S	*	.	S	Bend	trans	57.9	4.7	179	-62.7	171.5	0	0	0	116.9	R387 L388 R392	R387-L390 PolarHBondContact O-N 3.42Å; L388-L390 VanDerWaalsContact C-N 3.29Å; L388-L390 PolarHBondContact O-N 3.05Å; L390-R392 PolarHBondContact O-N 3.41Å; L390-R392 VanDerWaalsContact O-N 3.13Å
391	V	63.1	Low	62	Low	37 Å²	37	100.5 Å²	100.5	22%	0.224	49%	0.489	C	S	.	.	G	3₁₀ helix	trans	-62.4	-23.5	-177.7	179.9	0	0	0	0	113.2	T389 Q393 R394 I568 V569 R572	T389-V391 PolarHBondContact O-N 3.37Å; V391-Q393 PolarHBondContact O-N 2.88Å; V391-R394 PolarHBondContact O-N 3.07Å; V391-I568 HydrophobicContact CG1-CG2 4.33Å; V391-V569 HydrophobicContact CB-CG2 3.9Å; V391-V569 HydrophobicContact CG1-CG2 3.86Å; V391-V569 HydrophobicContact CG2-CG2 4.1Å; V391-R572 HydrophobicContact CG2-CG 4.32Å
392	R	53.7	Low	60	Low	155 Å²	155	108.8 Å²	108.8	59%	0.585	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-55.6	-15.2	-172.5	-176	167.9	173.5	146.9	-0.1	116.5	G386 L390	G386-R392 WeakPolarHBondContact O-CB 3.49Å; G386-R392 PolarHBondContact O-N 2.73Å; L390-R392 PolarHBondContact O-N 3.41Å; L390-R392 VanDerWaalsContact O-N 3.13Å
393	Q	52.8	Low	58.5	Low	192 Å²	192	114.1 Å²	114.1	90%	0.897	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-83.4	-14.6	-177.8	-88.3	-178	-27.9	0	0	116.3	V391	V391-Q393 PolarHBondContact O-N 2.88Å
394	R	51.8	Low	57.1	Low	232 Å²	232	118.7 Å²	118.7	88%	0.875	59%	0.585	S	S	*	*	S	Bend	trans	-95.5	-13.6	-173.2	-72.9	-162.9	-178.5	-150.1	1.7	116.9	V391	V391-R394 PolarHBondContact O-N 3.07Å
395	I	54.4	Low	55.1	Low	66 Å²	66	128.1 Å²	128.1	34%	0.338	61%	0.609	S	S	.	*			trans	-138.5	109.5	-175.3	-54.7	176.5	0	0	0	110.3	L397 T565	I395-L397 PolarHBondContact O-N 2.92Å; I395-T565 WeakPolarHBondContact CD1-OG1 3.39Å
396	P	54.2	Low	53.5	Low	124 Å²	124	132.3 Å²	132.3	81%	0.805	64%	0.639	S	S	*	*			trans	-74.7	109.5	172.2	29.5	-32	0	0	0	110.4
397	L	56.5	Low	52.2	Low	66 Å²	66	137.2 Å²	137.2	35%	0.346	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-68.9	131.3	167.6	-69.8	168.8	0	0	0	109.3	I382 I395 E562	I382-L397 HydrophobicContact CG2-CD1 3.99Å; I395-L397 PolarHBondContact O-N 2.92Å; L397-E562 HydrophobicContact CD2-CG 4.06Å
398	P	55.4	Low	50.7	Low	80 Å²	80	137.9 Å²	137.9	52%	0.519	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-67.7	140.1	179	26.4	-32.6	0	0	0	111.3	M400 L558	P398-M400 PolarHBondContact O-N 2.81Å; P398-L558 HydrophobicContact CG-CD1 3.67Å
399	E	51.1	Low	49.3	Very low	185 Å²	185	138.4 Å²	138.4	86%	0.864	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-64.2	128.5	-178.7	-61	-168.7	149.1	0	0	111.9	K401	E399-K401 PolarHBondContact O-N 2.81Å
400	M	48	Very low	47.8	Very low	155 Å²	155	146.6 Å²	146.6	76%	0.764	72%	0.722	S	S	*	*			trans	-69.5	103.1	167.7	-77.6	-169.5	174	0	0	109.7	P398 K402	P398-M400 PolarHBondContact O-N 2.81Å; M400-K402 PolarHBondContact O-N 2.83Å
401	K	42.8	Very low	46.6	Very low	205 Å²	205	145.4 Å²	145.4	89%	0.891	72%	0.723	S	S	*	*			trans	-53.9	115.2	163.5	-73.9	-170.3	175.8	-175.1	0	108.9	E399	E399-K401 PolarHBondContact O-N 2.81Å
402	K	35	Very low	45.5	Very low	186 Å²	186	152.2 Å²	152.2	81%	0.809	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-54.6	138.9	173.2	-66.5	177.4	-179.1	174.1	0	109	M400 I404	M400-K402 PolarHBondContact O-N 2.83Å; K402-I404 PolarHBondContact O-N 3.13Å; K402-I404 VanDerWaalsContact O-N 3.11Å
403	P	39.1	Very low	44.8	Very low	127 Å²	127	154.3 Å²	154.3	83%	0.825	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-63.7	117	-179.7	25.5	-33.4	0	0	0	110.2	R405	P403-R405 PolarHBondContact O-N 2.82Å
404	I	41	Very low	43.8	Very low	160 Å²	160	153.2 Å²	153.2	82%	0.821	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-65.5	117.5	171.6	-62.4	169.7	0	0	0	107	K402	K402-I404 PolarHBondContact O-N 3.13Å; K402-I404 VanDerWaalsContact O-N 3.11Å
405	R	35.1	Very low	43.1	Very low	235 Å²	235	150.1 Å²	150.1	89%	0.887	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-65.9	125	169.2	-68.7	-174.8	-179	-174.4	0.7	108	P403 S407	P403-R405 PolarHBondContact O-N 2.82Å; R405-S407 PolarHBondContact O-N 2.83Å
406	P	42.8	Very low	42.1	Very low	122 Å²	122	154 Å²	154	79%	0.792	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-65.6	124.9	173.2	27.1	-32.7	0	0	0	109.4
407	S	42.7	Very low	41.3	Very low	106 Å²	106	156 Å²	156	74%	0.741	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-70.2	139	171.3	42.9	0	0	0	0	110.1	R405 I409	R405-S407 PolarHBondContact O-N 2.83Å; S407-I409 PolarHBondContact O-N 3.02Å
408	I	39.4	Very low	40.3	Very low	165 Å²	165	158.6 Å²	158.6	85%	0.846	80%	0.797	S	S	*	*			trans	-71	114	-175.9	-61.2	172.8	0	0	0	109.7
409	I	42.7	Very low	39.2	Very low	151 Å²	151	158.2 Å²	158.2	77%	0.774	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79	121.5	172.7	-62.7	169.9	0	0	0	108.7	S407	S407-I409 PolarHBondContact O-N 3.02Å
410	K	36.6	Very low	38.4	Very low	184 Å²	184	157.8 Å²	157.8	80%	0.8	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-83.3	125.7	166.7	-68.1	-175.8	179.1	-179	0	109.2
411	P	39.8	Very low	37.9	Very low	121 Å²	121	155.6 Å²	155.6	79%	0.786	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-78.7	141.7	177	31.7	-33.8	0	0	0	111.2
412	H	40.9	Very low	37.7	Very low	179 Å²	179	151 Å²	151	83%	0.829	80%	0.8	S	S	*	*			trans	-115.7	139.6	172.4	-117.9	-108.7	0	0	0	111.8
413	K	38.7	Very low	37.8	Very low	199 Å²	199	150.1 Å²	150.1	87%	0.865	80%	0.804	S	S	*	*			trans	-10.5	135.9	-176.4	-73.9	178.9	170.2	-179.8	0	120.2
414	K	32.7	Very low	37.3	Very low	169 Å²	169	153.1 Å²	153.1	74%	0.735	80%	0.804	S	S	*	*			trans	-60.5	153.8	159.7	-65	174.7	174.3	178.2	0	112.2
415	I	36.2	Very low	37	Very low	167 Å²	167	153.6 Å²	153.6	86%	0.856	81%	0.806	S	S	*	*			trans	-120	144.5	142.8	-65.2	177.7	0	0	0	106.5
416	Q	33.9	Very low	36.9	Very low	149 Å²	149	147.8 Å²	147.8	70%	0.696	80%	0.799	S	S	*	*			trans	-120.6	143.6	178.9	-74.4	175.5	-107.2	0	0	110.3
417	I	38	Very low	36.2	Very low	165 Å²	165	146.3 Å²	146.3	85%	0.846	80%	0.798	S	S	*	*			trans	-125.3	126.2	158	-59.7	179.9	0	0	0	106
418	P	33.5	Very low	35.8	Very low	121 Å²	121	149.2 Å²	149.2	79%	0.786	81%	0.805	S	S	*	*			trans	-100.1	163.6	-172.3	38.1	-35.1	0	0	0	113.4
419	G	32.9	Very low	35.2	Very low	71 Å²	71	150 Å²	150	73%	0.732	81%	0.805	S	S	*	*			trans	116.5	90.8	150.8	0	0	0	0	0	117
420	I	35.3	Very low	34.7	Very low	177 Å²	177	151.6 Å²	151.6	91%	0.908	81%	0.809	S	S	*	*				-167.4	148.3	124.4	-97.8	156.5	0	0	0	107.3
421	S	36.4	Very low	34.3	Very low	109 Å²	109	149 Å²	149	76%	0.762	81%	0.808	S	S	*	*			trans	-136.7	-174.8	-170.4	-144.8	0	0	0	0	110.5
422	P	39.3	Very low	33.7	Very low	109 Å²	109	151.7 Å²	151.7	71%	0.708	80%	0.804	S	S	*	*				-113.9	178.9	-108.6	38.3	-23.6	0	0	0	113
423	N	36.1	Very low	33.2	Very low	167 Å²	167	149.5 Å²	149.5	89%	0.893	81%	0.808	S	S	*	*			trans	-145.3	154.5	154.7	-112.7	-37.5	0	0	0	113.3
424	K	30.5	Very low	32.7	Very low	190 Å²	190	146.1 Å²	146.1	83%	0.826	80%	0.795	S	S	*	*			trans	-98.1	160.4	-173.4	-57.5	170.3	179.1	174.5	0	111.3
425	I	33.8	Very low	32.6	Very low	169 Å²	169	144.1 Å²	144.1	87%	0.867	79%	0.792	S	S	*	*			trans	-176.5	151.2	131	-96.8	155	0	0	0	108.3
426	P	33.3	Very low	32.3	Very low	114 Å²	114	142.2 Å²	142.2	74%	0.74	78%	0.78	S	S	*	*			trans	-112.5	173.3	-141.8	41.1	-34.4	0	0	0	117.2
427	A	28.4	Very low	32	Very low	91 Å²	91	144.7 Å²	144.7	75%	0.752	78%	0.783	S	S	*	*			trans	20.3	136.9	149.3	0	0	0	0	0	122.1
428	N	33.1	Very low	31.8	Very low	167 Å²	167	145 Å²	145	89%	0.893	79%	0.785	S	S	*	*			trans	-141.9	161.7	133.5	-105.1	-8.2	0	0	0	108.7
429	E	28.3	Very low	31.5	Very low	181 Å²	181	150 Å²	150	85%	0.846	79%	0.787	S	S	*	*			trans	-99.2	-167.3	-163.8	-66.5	179.4	89.7	0	0	114.6
430	E	30.2	Very low	31.5	Very low	185 Å²	185	155.4 Å²	155.4	86%	0.864	79%	0.794	S	S	*	*			trans	89.8	136.3	165.2	-55.5	-169.1	-179.9	0	0	119.8
431	T	30	Very low	31.1	Very low	128 Å²	128	157 Å²	157	79%	0.785	79%	0.794	S	S	*	*			cis	-147.9	151.9	-30.6	-71	0	0	0	0	107.9
432	Y	25.6	Very low	30.7	Very low	178 Å²	178	155.5 Å²	155.5	70%	0.698	80%	0.796	S	S	*	*			trans	-76.4	153.3	179.6	-155.3	-103.2	0	0	0	113.5	E434	Y432-E434 HydrophobicContact CD1-CB 4.5Å; Y432-E434 HydrophobicContact CE1-CB 3.78Å; Y432-E434 PolarHBondContact OH-OE2 2.85Å
433	C	30.5	Very low	30.1	Very low	134 Å²	134	154.3 Å²	154.3	91%	0.905	80%	0.803	S	S	*	*			trans	-166.1	135.7	141.6	-118.8	0	0	0	0	112.5
434	E	28.8	Very low	29.6	Very low	128 Å²	128	150.1 Å²	150.1	60%	0.598	80%	0.8	S	S	*	*			trans	-146.1	153.6	-176.5	-174.3	-179.5	-143	0	0	108.8	Y432	Y432-E434 HydrophobicContact CD1-CB 4.5Å; Y432-E434 HydrophobicContact CE1-CB 3.78Å; Y432-E434 PolarHBondContact OH-OE2 2.85Å
435	N	29.9	Very low	29.5	Very low	126 Å²	126	146 Å²	146	67%	0.674	80%	0.801	S	S	*	*			trans	129.5	132.2	149.8	-69.9	-64	0	0	0	119.1
436	E	30.9	Very low	29.3	Very low	128 Å²	128	147.5 Å²	147.5	60%	0.598	80%	0.802	S	S	*	*			trans	58.6	101.8	131.5	-61.8	-88.4	66.2	0	0	122.3
437	R	27.8	Very low	29.1	Very low	200 Å²	200	150 Å²	150	76%	0.755	80%	0.803	S	S	*	*				51	106.9	106.1	-163.6	-154.8	-47.9	-159.1	14.7	119.4
438	I	32.6	Very low	29	Very low	173 Å²	173	152.9 Å²	152.9	89%	0.887	80%	0.801	S	S	*	*			trans	-152.8	155.9	142.8	-106.3	153.7	0	0	0	110.2
439	R	27.6	Very low	28.8	Very low	224 Å²	224	151 Å²	151	85%	0.845	80%	0.8	S	S	*	*			trans	-97.6	144.7	174.7	-59.6	173.4	178.8	166.5	-1.6	109.9
440	H	32.4	Very low	28.8	Very low	186 Å²	186	148.2 Å²	148.2	86%	0.861	79%	0.791	S	S	*	*				-175.3	180	122.4	-110.2	-91.3	0	0	0	111.7
441	F	28.4	Very low	28.9	Very low	210 Å²	210	147.4 Å²	147.4	92%	0.921	79%	0.789	S	S	*	*			trans	-78.6	145.3	-172.9	-95	-115.6	0	0	0	114
442	G	27.4	Very low	29	Very low	78 Å²	78	147.9 Å²	147.9	80%	0.804	79%	0.791	S	S	*	*			trans	99	99.5	135.9	0	0	0	0	0	118.8
443	G	27	Very low	29.1	Very low	83 Å²	83	142.8 Å²	142.8	86%	0.856	79%	0.793	S	S	*	*			trans	88.3	151.4	153.6	0	0	0	0	0	117.3
444	G	26.2	Very low	29.2	Very low	79 Å²	79	142.3 Å²	142.3	81%	0.814	79%	0.791	S	S	*	*			trans	85.2	118.3	162.1	0	0	0	0	0	117.2
445	A	28.3	Very low	29.1	Very low	103 Å²	103	143.6 Å²	143.6	85%	0.851	80%	0.797	S	S	*	*			trans	30.4	139	149.2	0	0	0	0	0	122
446	F	28.4	Very low	29.1	Very low	202 Å²	202	147.8 Å²	147.8	89%	0.886	81%	0.81	S	S	*	*			trans	-138	153.5	148.7	-146.8	-95.7	0	0	0	112.5
447	Q	28.9	Very low	28.9	Very low	166 Å²	166	147.6 Å²	147.6	78%	0.776	81%	0.812	S	S	*	*			trans	-59.1	157.7	-165.8	-125	93.4	-21.8	0	0	116
448	Q	27.1	Very low	28.9	Very low	152 Å²	152	148.5 Å²	148.5	71%	0.71	82%	0.817	S	S	*	*			trans	-111.8	131.9	170.9	176.3	173.7	-10.2	0	0	110.4	N450	Q448-N450 PolarHBondContact NE2-OD1 2.92Å
449	C	29.3	Very low	28.6	Very low	128 Å²	128	143.7 Å²	143.7	87%	0.865	81%	0.81	S	S	*	*			trans	-110.8	125.3	165.7	-65.9	0	0	0	0	108.9
450	N	28.3	Very low	28.7	Very low	121 Å²	121	142.7 Å²	142.7	65%	0.647	82%	0.815	S	S	*	*			trans	-100.9	164.9	-178.3	-78	-29.9	0	0	0	111.8	Q448	Q448-N450 PolarHBondContact NE2-OD1 2.92Å
451	M	31.5	Very low	28.6	Very low	168 Å²	168	142.9 Å²	142.9	83%	0.828	82%	0.816	S	S	*	*				-180	121.4	118.9	-92	-72.7	-90.3	0	0	110.9
452	V	31.6	Very low	28.5	Very low	138 Å²	138	142 Å²	142	84%	0.836	82%	0.815	S	S	*	*			trans	53.2	134.3	150.3	-170.3	0	0	0	0	118.4
453	G	28.5	Very low	28.5	Very low	71 Å²	71	146.9 Å²	146.9	73%	0.732	82%	0.821	S	S	*	*			cis	168.3	161.7	6.3	0	0	0	0	0	106
454	S	32.4	Very low	28.5	Very low	125 Å²	125	146.9 Å²	146.9	87%	0.874	82%	0.821	S	S	*	*			cis	-148.8	177.8	30.2	53.6	0	0	0	0	112.6
455	H	26.6	Very low	28.6	Very low	155 Å²	155	146.9 Å²	146.9	72%	0.718	82%	0.821	S	S	*	*			trans	-83.4	159.5	-173.2	-83.1	-125.1	0	0	0	115.5
456	F	29.9	Very low	28.6	Very low	214 Å²	214	146.9 Å²	146.9	94%	0.939	82%	0.821	S	S	*	*				-145	171.2	116	-119.2	-84.8	0	0	0	110.5
457	L	26.4	Very low	28.6	Very low	123 Å²	123	141.5 Å²	141.5	64%	0.644	81%	0.814	S	S	*	*			trans	-124.1	176.3	-145.7	-100.8	161.1	0	0	0	116.6
458	Y	28.9	Very low	28.5	Very low	220 Å²	220	138.2 Å²	138.2	86%	0.863	81%	0.809	S	S	*	*			trans	76.7	129.2	174.6	-69.5	-86.5	0	0	0	117.8
459	G	26.1	Very low	28.6	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	81%	0.81	S	S	*	*			cis	135.2	121	-16.8	0	0	0	0	0	114.4
460	E	29.5	Very low	28.5	Very low	204 Å²	204	140.9 Å²	140.9	95%	0.953	81%	0.805	S	S	*	*			trans	-150.6	152.8	172.3	-151.4	172.5	151.5	0	0	109.5
461	E	29.6	Very low	28.5	Very low	189 Å²	189	143.2 Å²	143.2	88%	0.883	81%	0.81	S	S	*	*			trans	-90.7	158.2	-162.4	-68.3	173.6	90.5	0	0	114.8
462	Q	25.7	Very low	28.4	Very low	193 Å²	193	139.4 Å²	139.4	90%	0.902	81%	0.805	S	S	*	*			trans	-115.6	134.6	160	-73.8	-168.9	-6.2	0	0	109.9
463	L	29.2	Very low	28.4	Very low	180 Å²	180	138 Å²	138	94%	0.942	80%	0.799	S	S	*	*			trans	-126.2	122.2	157.7	-141.6	78.6	0	0	0	109
464	G	26.2	Very low	28.4	Very low	82 Å²	82	140.8 Å²	140.8	85%	0.845	80%	0.797	S	S	*	*			trans	-96.5	147.5	176.8	0	0	0	0	0	111.8
465	G	28.1	Very low	28.2	Very low	79 Å²	79	141.3 Å²	141.3	81%	0.814	79%	0.785	S	S	*	*			trans	-157.9	113.9	-179	0	0	0	0	0	112.2
466	A	27.4	Very low	28.2	Very low	104 Å²	104	140.3 Å²	140.3	86%	0.86	78%	0.781	S	S	*	*			trans	-58.5	173.3	-170.5	0	0	0	0	0	118.4
467	A	28.6	Very low	28.1	Very low	89 Å²	89	140.7 Å²	140.7	74%	0.736	78%	0.776	S	S	*	*			trans	78.5	104.8	148.5	0	0	0	0	0	120.1
468	S	27.8	Very low	28.2	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	78%	0.783	S	S	*	*			trans	-0.8	127	135	55	0	0	0	0	119.1
469	N	28.2	Very low	28.2	Very low	136 Å²	136	136.1 Å²	136.1	73%	0.727	78%	0.78	S	S	*	*				178.8	142	103.7	-91.2	-30.3	0	0	0	114.5
470	W	27.4	Very low	28.5	Very low	200 Å²	200	137.5 Å²	137.5	76%	0.758	78%	0.777	S	S	*	*			trans	40.6	144.5	144	-68.9	97.7	0	0	0	124.7
471	F	29	Very low	28.4	Very low	170 Å²	170	139.4 Å²	139.4	75%	0.746	78%	0.775	S	S	*	*			trans	59.1	100.8	154	-65.2	-58.1	0	0	0	121.3
472	A	28.5	Very low	28.3	Very low	88 Å²	88	140.1 Å²	140.1	73%	0.727	77%	0.771	S	S	*	*				61.3	169.6	105.8	0	0	0	0	0	119.1
473	P	33.2	Very low	28.6	Very low	109 Å²	109	136 Å²	136	71%	0.708	76%	0.761	S	S	*	*				-127.4	-157.6	-113.5	34.2	-11.2	0	0	0	113.6
474	N	28.3	Very low	28.4	Very low	129 Å²	129	134 Å²	134	69%	0.69	75%	0.752	S	S	*	*			trans	81.3	147.8	178.9	-60.7	18.2	0	0	0	113.6
475	E	27.3	Very low	28.6	Very low	136 Å²	136	139.5 Å²	139.5	64%	0.636	76%	0.755	S	S	*	*			cis	-154.4	165.4	3.1	-133.2	163.8	-123.3	0	0	113.3
476	H	27.8	Very low	28.4	Very low	134 Å²	134	144.6 Å²	144.6	62%	0.62	76%	0.755	S	S	*	*			trans	50.3	115.9	148.4	-73.6	-23.5	0	0	0	121.4
477	R	26.3	Very low	28.3	Very low	222 Å²	222	146.1 Å²	146.1	84%	0.838	75%	0.749	S	S	*	*				94.7	115.7	87.1	-167	-176.2	-160.2	169.4	3.2	110.3
478	S	30.2	Very low	28.3	Very low	113 Å²	113	147 Å²	147	79%	0.79	75%	0.75	S	S	*	*				-157.4	178.3	59.6	57.5	0	0	0	0	115.4
479	V	27.5	Very low	28.3	Very low	134 Å²	134	153.3 Å²	153.3	81%	0.812	76%	0.761	S	S	*	*			trans	-141.2	166.1	-170.7	162	0	0	0	0	106
480	P	33.3	Very low	28.5	Very low	100 Å²	100	152.5 Å²	152.5	65%	0.649	76%	0.763	S	S	*	*			cis	-128.3	-177.5	-6.2	35.6	-17.7	0	0	0	115.2
481	R	27.9	Very low	28.4	Very low	244 Å²	244	149.6 Å²	149.6	92%	0.921	77%	0.767	S	S	*	*				-162.9	132.7	117.3	-106.7	174	-161.3	-165.7	5.2	114.4
482	Y	26.5	Very low	28.3	Very low	204 Å²	204	146.2 Å²	146.2	80%	0.8	77%	0.77	S	S	*	*			trans	-90.6	173.8	164.2	-91.9	-86.1	0	0	0	108.7
483	P	32.3	Very low	28.3	Very low	108 Å²	108	148.9 Å²	148.9	70%	0.701	78%	0.778	S	S	*	*			cis	-146.3	169.1	32	43.6	-23.3	0	0	0	120.1
484	N	25.9	Very low	28	Very low	137 Å²	137	151.9 Å²	151.9	73%	0.733	78%	0.782	S	S	*	*			trans	23.9	124.7	142.3	-50.2	-2.4	0	0	0	120.3
485	Q	29	Very low	28.2	Very low	198 Å²	198	153.6 Å²	153.6	93%	0.925	79%	0.79	S	S	*	*				-145.2	157.1	119.5	-135.4	164	0.2	0	0	111.2
486	F	25.4	Very low	28.2	Very low	185 Å²	185	153.3 Å²	153.3	81%	0.811	79%	0.793	S	S	*	*			trans	-115.3	175.6	-169	-127.7	-102	0	0	0	110.9
487	D	25.1	Very low	28.4	Very low	137 Å²	137	153.8 Å²	153.8	73%	0.733	80%	0.8	S	S	*	*			trans	84.8	149.4	153.8	-68.7	-46.8	0	0	0	123.4
488	S	28.6	Very low	28.5	Very low	107 Å²	107	150.2 Å²	150.2	75%	0.748	80%	0.796	S	S	*	*			trans	77.4	99.9	159.3	68.6	0	0	0	0	120.4
489	Y	27.8	Very low	28.4	Very low	229 Å²	229	149.7 Å²	149.7	90%	0.898	79%	0.792	S	S	*	*			trans	-67.5	154.8	139.3	-70.9	-93.7	0	0	0	109.4
490	P	31.4	Very low	28.6	Very low	119 Å²	119	152.8 Å²	152.8	77%	0.773	80%	0.798	S	S	*	*				-134.3	163.6	126.9	10.9	10.9	0	0	0	116.3
491	T	24.7	Very low	28.5	Very low	138 Å²	138	155.6 Å²	155.6	85%	0.847	81%	0.806	S	S	*	*			trans	-46.5	162.6	175.1	33	0	0	0	0	118.7
492	A	26.9	Very low	29	Very low	99 Å²	99	150.2 Å²	150.2	82%	0.818	80%	0.802	S	S	*	*			trans	-80.8	155.6	172.3	0	0	0	0	0	114.2
493	T	28.6	Very low	29.1	Very low	145 Å²	145	144.2 Å²	144.2	89%	0.89	80%	0.803	S	S	*	*			trans	-143.7	157.8	161.5	-9.1	0	0	0	0	110.8
494	Q	26.7	Very low	29.4	Very low	171 Å²	171	145.3 Å²	145.3	80%	0.799	81%	0.813	S	S	*	*			trans	-81.4	152.2	-179.2	-61.2	176	-11.5	0	0	112.5
495	I	33.1	Very low	29.7	Very low	166 Å²	166	143.9 Å²	143.9	85%	0.851	82%	0.82	S	S	*	*			trans	-132.3	116	148.8	-61.8	-177	0	0	0	108.5
496	N	27.9	Very low	30	Very low	130 Å²	130	137.9 Å²	137.9	70%	0.695	81%	0.811	S	S	*	*			trans	-95	174.3	158.3	-91.5	-26	0	0	0	108.7
497	N	30.7	Very low	30.4	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	82%	0.815	S	S	*	*			trans	81.1	147.7	175.2	-53.1	-18.5	0	0	0	114.6
498	I	29.3	Very low	30.9	Very low	148 Å²	148	137.2 Å²	137.2	76%	0.759	81%	0.814	S	S	*	*			cis	-148.8	169.4	-13.4	-119.1	163.9	0	0	0	109.1
499	S	28.6	Very low	31.2	Very low	102 Å²	102	136.8 Å²	136.8	71%	0.713	81%	0.811	S	S	*	*			trans	-53.7	144	176.7	55.1	0	0	0	0	115.2
500	Q	30.5	Very low	31.5	Very low	199 Å²	199	133.4 Å²	133.4	93%	0.93	80%	0.804	S	S	*	*			trans	-150.9	154.8	142.4	-116.7	168.7	18.8	0	0	112.4
501	I	32.8	Very low	31.8	Very low	158 Å²	158	134.8 Å²	134.8	81%	0.81	81%	0.805	S	S	*	*			trans	-92.1	139.6	-174.4	-65.8	164.2	0	0	0	108.8	G503	I501-G503 PolarHBondContact O-N 3.11Å
502	P	37.2	Very low	32.4	Very low	131 Å²	131	137 Å²	137	85%	0.851	81%	0.805	S	S	*	*			trans	-73.3	112.7	179	29.3	-34.3	0	0	0	111.7
503	G	28.6	Very low	33.1	Very low	78 Å²	78	137.7 Å²	137.7	80%	0.804	80%	0.802	S	S	*	*			trans	-111.8	131.1	159.1	0	0	0	0	0	109.5	I501	I501-G503 PolarHBondContact O-N 3.11Å
504	S	38	Very low	33.4	Very low	132 Å²	132	137 Å²	137	92%	0.923	79%	0.792	S	S	*	*			trans	-139.3	143.7	170.8	-171.5	0	0	0	0	108.9
505	A	33	Very low	33.9	Very low	106 Å²	106	134.5 Å²	134.5	88%	0.876	79%	0.785	S	S	*	*			trans	-127.6	147.1	-166.1	0	0	0	0	0	112.4
506	G	35.9	Very low	34.1	Very low	72 Å²	72	132.4 Å²	132.4	74%	0.742	78%	0.78	S	S	*	*			trans	179.9	101.6	173.4	0	0	0	0	0	114.1
507	K	33.9	Very low	34.4	Very low	206 Å²	206	130 Å²	130	90%	0.896	78%	0.778	S	S	*	*			trans	34.7	140.8	135.2	-60.8	-178.3	-177.4	-177.2	0	119.3
508	S	34.2	Very low	34.7	Very low	102 Å²	102	129.9 Å²	129.9	71%	0.713	78%	0.778	S	S	*	*			cis	-176.1	163.1	6.4	37.8	0	0	0	0	110.6
509	S	36.2	Very low	35.3	Very low	98 Å²	98	129.8 Å²	129.8	69%	0.685	77%	0.774	S	S	*	*			trans	68.3	147.5	163	-68.8	0	0	0	0	117.7
510	E	33.7	Very low	35.8	Very low	158 Å²	158	131.2 Å²	131.2	74%	0.738	77%	0.773	S	S	*	*			cis	-163.2	168.2	-17.7	-122	158.1	136.1	0	0	110.4
511	N	37.8	Very low	36.1	Very low	149 Å²	149	130.7 Å²	130.7	80%	0.797	77%	0.771	S	S	*	*			trans	76.4	115.9	160.7	-58.1	-19.9	0	0	0	121.6
512	E	36.8	Very low	36.7	Very low	183 Å²	183	128.5 Å²	128.5	86%	0.855	77%	0.769	S	S	*	*			trans	-57	177.7	155.8	-64.3	171.4	100	0	0	114.4
513	P	41.8	Very low	37.1	Very low	115 Å²	115	128.1 Å²	128.1	75%	0.747	77%	0.767	S	S	*	*			cis	-121.8	-143.8	-6.5	25.9	0.2	0	0	0	110.2
514	D	34.2	Very low	37.8	Very low	129 Å²	129	129.3 Å²	129.3	69%	0.69	76%	0.763	S	S	*	*			cis	-156.4	163.9	3.4	-156.2	23	0	0	0	116.7
515	N	38.2	Very low	38.4	Very low	119 Å²	119	128.5 Å²	128.5	64%	0.636	75%	0.752	S	S	*	*			trans	17.7	114.5	156.3	-79.6	-48.7	0	0	0	124.7
516	T	36	Very low	39.2	Very low	122 Å²	122	130.2 Å²	130.2	75%	0.748	75%	0.746	S	S	*	*				74.3	109.9	126	58.3	0	0	0	0	123.9
517	A	35.4	Very low	39.8	Very low	80 Å²	80	132.7 Å²	132.7	66%	0.661	74%	0.742	S	S	*	*				87.1	116.6	116.9	0	0	0	0	0	122.1
518	N	36.4	Very low	40.7	Very low	141 Å²	141	126.4 Å²	126.4	75%	0.754	72%	0.724	S	S	*	*			trans	65.5	142.5	145.8	-61.6	-6	0	0	0	118.4
519	H	43	Very low	41.7	Very low	146 Å²	146	125.2 Å²	125.2	68%	0.676	71%	0.713	S	S	*	*			cis	-150.6	160.5	3.6	-117.7	-61.9	0	0	0	108.6
520	N	37.8	Very low	42.9	Very low	131 Å²	131	123.3 Å²	123.3	70%	0.701	70%	0.697	S	S	*	*			trans	41.1	130.6	151.2	-52.1	-2.6	0	0	0	119
521	E	38.3	Very low	44.5	Very low	188 Å²	188	119.4 Å²	119.4	88%	0.879	68%	0.684	S	S	*	*			cis	-160.2	173.9	46.6	-136	159.1	-143.7	0	0	111.9
522	S	44.1	Very low	46.3	Very low	112 Å²	112	117.6 Å²	117.6	78%	0.783	67%	0.674	S	S	*	*			trans	-109.3	160.7	-176.8	-43	0	0	0	0	110.8
523	P	45.6	Very low	48.3	Very low	123 Å²	123	114.4 Å²	114.4	80%	0.799	66%	0.659	S	S	*	*			cis	-146.9	159.7	48.7	40	-19.7	0	0	0	118.4
524	S	43.4	Very low	50	Low	103 Å²	103	115.7 Å²	115.7	72%	0.72	65%	0.649	S	S	*	*			trans	-131.3	7.1	177.9	57.9	0	0	0	0	115.6	L526	S524-L526 VanDerWaalsContact C-N 3.29Å; S524-L526 PolarHBondContact O-N 2.97Å
525	V	51.4	Low	52.1	Low	115 Å²	115	114.2 Å²	114.2	70%	0.697	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-19.4	-166.9	-178.1	0	0	0	0	114.7	S528	V525-S528 PolarHBondContact O-OG 2.9Å
526	L	50.1	Low	54.3	Low	142 Å²	142	112.9 Å²	112.9	74%	0.743	64%	0.637	S	S	*	*	H	α-helix	trans	-81.1	-18.5	-169.9	-156.7	69.2	0	0	0	114.9	S524 T529	S524-L526 VanDerWaalsContact C-N 3.29Å; S524-L526 PolarHBondContact O-N 2.97Å; L526-T529 PolarHBondContact O-OG1 2.91Å; L526-T529 VanDerWaalsContact O-OG1 3.13Å
527	N	48.2	Very low	56.5	Low	124 Å²	124	113.7 Å²	113.7	66%	0.663	63%	0.626	S	S	*	*	H	α-helix	trans	-83.6	-35.6	-174.2	-76.5	-13.6	0	0	0	113.4	T529 T530	N527-T529 VanDerWaalsContact C-N 3.35Å; N527-T529 PolarHBondContact O-N 3.45Å; N527-T530 PolarHBondContact O-N 3.1Å; N527-T530 VanDerWaalsContact O-N 3.16Å; N527-T530 PolarHBondContact O-OG1 2.85Å
528	S	52.6	Low	58.8	Low	75 Å²	75	113.6 Å²	113.6	52%	0.524	61%	0.612	S	S	.	*	H	α-helix	trans	-72.1	-22.3	-175.2	51.4	0	0	0	0	114.3	V525 T531	V525-S528 PolarHBondContact O-OG 2.9Å; S528-T531 PolarHBondContact O-OG1 2.98Å
529	T	55.4	Low	61.2	Low	77 Å²	77	112.8 Å²	112.8	47%	0.472	61%	0.607	S	S	.	*	H	α-helix	trans	-70.8	-34.1	169.9	48.9	0	0	0	0	111.6	L526 N527 T531 E533	L526-T529 PolarHBondContact O-OG1 2.91Å; L526-T529 VanDerWaalsContact O-OG1 3.13Å; N527-T529 VanDerWaalsContact C-N 3.35Å; N527-T529 PolarHBondContact O-N 3.45Å; T529-T531 VanDerWaalsContact C-N 3.34Å; T529-T531 PolarHBondContact O-N 2.3Å; T529-E533 PolarHBondContact O-N 3.02Å; T529-E533 VanDerWaalsContact O-N 3.14Å
530	T	61.3	Low	63.4	Low	58 Å²	58	113.4 Å²	113.4	36%	0.356	61%	0.608	S	S	.	*	H	α-helix	trans	-74.6	-20.7	-178.4	81.2	0	0	0	0	113.9	N527 R534	N527-T530 PolarHBondContact O-N 3.1Å; N527-T530 VanDerWaalsContact O-N 3.16Å; N527-T530 PolarHBondContact O-OG1 2.85Å; T530-R534 WeakPolarHBondContact O-CG 3.26Å; T530-R534 PolarHBondContact O-NH1 2.97Å; T530-R534 PolarHBondContact OG1-NH1 3.03Å
531	T	67.1	Low	65.8	Low	75 Å²	75	113.2 Å²	113.2	46%	0.46	60%	0.601	S	S	.	*	H	α-helix	trans	-78.6	-50.5	172.1	51.3	0	0	0	0	110.2	S528 T529 E533 R534 D535	S528-T531 PolarHBondContact O-OG1 2.98Å; T529-T531 VanDerWaalsContact C-N 3.34Å; T529-T531 PolarHBondContact O-N 2.3Å; T531-E533 VanDerWaalsContact C-N 3.26Å; T531-E533 PolarHBondContact O-N 3.4Å; T531-R534 WeakPolarHBondContact O-CA 3.48Å; T531-R534 WeakPolarHBondContact O-CB 3.37Å; T531-R534 PolarHBondContact O-N 3.08Å; T531-D535 PolarHBondContact O-N 2.91Å
532	L	76.2	Confident	68	Low	111 Å²	111	110.8 Å²	110.8	58%	0.581	58%	0.584	S	S	*	*	H	α-helix	trans	-54.4	-40.4	177.8	-174.2	65.5	0	0	0	112.6	R534 D535 V536	L532-R534 VanDerWaalsContact C-N 3.31Å; L532-R534 PolarHBondContact O-N 2.72Å; L532-D535 PolarHBondContact O-N 2.96Å; L532-V536 WeakPolarHBondContact O-CG2 3.41Å; L532-V536 PolarHBondContact O-N 2.99Å
533	E	76.8	Confident	70.2	Confident	117 Å²	117	109.3 Å²	109.3	55%	0.547	57%	0.571	S	S	.	*	H	α-helix	trans	-65.4	-28.6	174.5	-79.7	-157.8	171.1	0	0	114.6	T529 T531 R537	T529-E533 PolarHBondContact O-N 3.02Å; T529-E533 VanDerWaalsContact O-N 3.14Å; T531-E533 VanDerWaalsContact C-N 3.26Å; T531-E533 PolarHBondContact O-N 3.4Å; E533-R537 WeakPolarHBondContact O-CB 3.49Å; E533-R537 VanDerWaalsContact O-CG 3.27Å; E533-R537 WeakPolarHBondContact O-CG 2.89Å; E533-R537 PolarHBondContact O-N 2.9Å; E533-R537 PolarHBondContact O-NE 3.2Å; E533-R537 IonicContact OE2-CZ 2.69Å; E533-R537 IonicContact OE2-NH2 2.85Å; E533-R537 PolarHBondContact OE2-NH2 3.29Å
534	R	77.7	Confident	72.4	Confident	142 Å²	142	110.4 Å²	110.4	54%	0.536	56%	0.563	S	S	.	*	H	α-helix	trans	-73.4	-46.1	174.8	-72.7	175.1	175.3	96.7	-14	109.6	T530 T531 L532 V536 R537 E538	T530-R534 WeakPolarHBondContact O-CG 3.26Å; T530-R534 PolarHBondContact O-NH1 2.97Å; T530-R534 PolarHBondContact OG1-NH1 3.03Å; T531-R534 WeakPolarHBondContact O-CA 3.48Å; T531-R534 WeakPolarHBondContact O-CB 3.37Å; T531-R534 PolarHBondContact O-N 3.08Å; L532-R534 VanDerWaalsContact C-N 3.31Å; L532-R534 PolarHBondContact O-N 2.72Å; R534-V536 PolarHBondContact O-N 2.77Å; R534-R537 CarbonylContact O-C 3.59Å; R534-R537 WeakPolarHBondContact O-CA 3.39Å; R534-R537 WeakPolarHBondContact O-CB 3.45Å; R534-R537 PolarHBondContact O-N 2.64Å; R534-E538 WeakPolarHBondContact O-CG 3.41Å; R534-E538 PolarHBondContact O-N 3.47Å
535	D	79	Confident	74.5	Confident	97 Å²	97	111.2 Å²	111.2	52%	0.519	56%	0.557	S	S	.	*	H	α-helix	trans	-62.1	-42.6	-179	-56.5	-23.6	0	0	0	111.6	T531 L532 R537 E538 L539	T531-D535 PolarHBondContact O-N 2.91Å; L532-D535 PolarHBondContact O-N 2.96Å; D535-R537 VanDerWaalsContact C-N 3.3Å; D535-R537 PolarHBondContact O-N 2.78Å; D535-E538 WeakPolarHBondContact O-CB 3.39Å; D535-E538 PolarHBondContact O-N 2.76Å; D535-L539 WeakPolarHBondContact O-CB 3.38Å; D535-L539 PolarHBondContact O-N 2.74Å
536	V	83.7	Confident	76.3	Confident	91 Å²	91	111 Å²	111	55%	0.552	55%	0.551	S	S	*	*	H	α-helix	trans	-63.9	-34	173.7	171.8	0	0	0	0	111.9	L532 R534 K540	L532-V536 WeakPolarHBondContact O-CG2 3.41Å; L532-V536 PolarHBondContact O-N 2.99Å; R534-V536 PolarHBondContact O-N 2.77Å; V536-K540 VanDerWaalsContact O-CB 3.27Å; V536-K540 WeakPolarHBondContact O-CB 3.5Å; V536-K540 PolarHBondContact O-N 3.2Å; V536-K540 VanDerWaalsContact O-N 3.16Å
537	R	82.4	Confident	78.2	Confident	140 Å²	140	108.2 Å²	108.2	53%	0.528	54%	0.54	S	S	.	.	H	α-helix	trans	-71	-39.2	174.1	-81.2	178.7	-94.6	179.2	-15.9	112.3	E533 R534 D535 K541	E533-R537 WeakPolarHBondContact O-CB 3.49Å; E533-R537 VanDerWaalsContact O-CG 3.27Å; E533-R537 WeakPolarHBondContact O-CG 2.89Å; E533-R537 PolarHBondContact O-N 2.9Å; E533-R537 PolarHBondContact O-NE 3.2Å; E533-R537 IonicContact OE2-CZ 2.69Å; E533-R537 IonicContact OE2-NH2 2.85Å; E533-R537 PolarHBondContact OE2-NH2 3.29Å; R534-R537 CarbonylContact O-C 3.59Å; R534-R537 WeakPolarHBondContact O-CA 3.39Å; R534-R537 WeakPolarHBondContact O-CB 3.45Å; R534-R537 PolarHBondContact O-N 2.64Å; D535-R537 VanDerWaalsContact C-N 3.3Å; D535-R537 PolarHBondContact O-N 2.78Å; R537-K541 WeakPolarHBondContact O-CG 3.46Å; R537-K541 PolarHBondContact O-N 2.74Å
538	E	84.1	Confident	80.1	Confident	78 Å²	78	106.5 Å²	106.5	36%	0.364	53%	0.531	S	S	.	.	H	α-helix	trans	-62.1	-53.8	173.2	-72.3	-73.2	107.1	0	0	110.9	R534 D535 K540 K541 Y542	R534-E538 WeakPolarHBondContact O-CG 3.41Å; R534-E538 PolarHBondContact O-N 3.47Å; D535-E538 WeakPolarHBondContact O-CB 3.39Å; D535-E538 PolarHBondContact O-N 2.76Å; E538-K540 PolarHBondContact O-N 3.31Å; E538-K541 WeakPolarHBondContact O-CA 3.3Å; E538-K541 VanDerWaalsContact O-CB 3.31Å; E538-K541 WeakPolarHBondContact O-CB 3.3Å; E538-K541 PolarHBondContact O-N 2.71Å; E538-K541 IonicContact OE1-NZ 2.75Å; E538-K541 PolarHBondContact OE1-NZ 3.08Å; E538-Y542 VanDerWaalsContact O-CD2 3.28Å; E538-Y542 WeakPolarHBondContact O-CD2 3.48Å; E538-Y542 PolarHBondContact O-N 3.07Å; E538-Y542 VanDerWaalsContact O-N 3.08Å
539	L	87	Confident	81.8	Confident	124 Å²	124	111.9 Å²	111.9	65%	0.649	54%	0.539	S	S	*	.	H	α-helix	trans	-55.6	-40.3	179.4	-146.2	87.4	0	0	0	111.6	D535 K541 Y542 V543	D535-L539 WeakPolarHBondContact O-CB 3.38Å; D535-L539 PolarHBondContact O-N 2.74Å; L539-K541 VanDerWaalsContact C-N 3.34Å; L539-K541 PolarHBondContact O-N 2.83Å; L539-Y542 PolarHBondContact O-N 3.24Å; L539-V543 WeakPolarHBondContact O-CG2 3.44Å; L539-V543 PolarHBondContact O-N 3.44Å
540	K	89.5	Confident	83.1	Confident	158 Å²	158	115.3 Å²	115.3	69%	0.687	55%	0.55	S	S	*	*	H	α-helix	trans	-64.8	-31.5	175.6	-171.9	174.1	-176.1	173.9	0	113.3	V536 E538 K544	V536-K540 VanDerWaalsContact O-CB 3.27Å; V536-K540 WeakPolarHBondContact O-CB 3.5Å; V536-K540 PolarHBondContact O-N 3.2Å; V536-K540 VanDerWaalsContact O-N 3.16Å; E538-K540 PolarHBondContact O-N 3.31Å; K540-K544 VanDerWaalsContact O-CB 3.27Å; K540-K544 WeakPolarHBondContact O-CB 3.31Å; K540-K544 PolarHBondContact O-N 3.27Å
541	K	87.7	Confident	84.3	Confident	128 Å²	128	119.8 Å²	119.8	56%	0.557	57%	0.565	S	S	*	*	H	α-helix	trans	-67.7	-49.6	170.2	-65.9	170.4	-174	168.4	0	110.6	R537 E538 L539 K544 M545	R537-K541 WeakPolarHBondContact O-CG 3.46Å; R537-K541 PolarHBondContact O-N 2.74Å; E538-K541 WeakPolarHBondContact O-CA 3.3Å; E538-K541 VanDerWaalsContact O-CB 3.31Å; E538-K541 WeakPolarHBondContact O-CB 3.3Å; E538-K541 PolarHBondContact O-N 2.71Å; E538-K541 IonicContact OE1-NZ 2.75Å; E538-K541 PolarHBondContact OE1-NZ 3.08Å; L539-K541 VanDerWaalsContact C-N 3.34Å; L539-K541 PolarHBondContact O-N 2.83Å; K541-K544 PolarHBondContact O-N 3.19Å; K541-M545 PolarHBondContact O-N 2.85Å
542	Y	85.4	Confident	85	Confident	136 Å²	136	121.3 Å²	121.3	53%	0.533	57%	0.567	S	S	.	*	H	α-helix	trans	-61.7	-46.4	-178.6	-75.1	-72.5	0	0	0	112.4	E538 L539 K544 M545 L546	E538-Y542 VanDerWaalsContact O-CD2 3.28Å; E538-Y542 WeakPolarHBondContact O-CD2 3.48Å; E538-Y542 PolarHBondContact O-N 3.07Å; E538-Y542 VanDerWaalsContact O-N 3.08Å; L539-Y542 PolarHBondContact O-N 3.24Å; Y542-K544 VanDerWaalsContact C-N 3.33Å; Y542-K544 PolarHBondContact O-N 3Å; Y542-M545 WeakPolarHBondContact O-CB 3.29Å; Y542-M545 PolarHBondContact O-N 3.07Å; Y542-M545 VanDerWaalsContact O-N 3.14Å; Y542-L546 WeakPolarHBondContact O-CG 3.5Å; Y542-L546 PolarHBondContact O-N 2.81Å
543	V	90.1	Very high	85.2	Confident	82 Å²	82	120.2 Å²	120.2	50%	0.497	57%	0.565	S	S	.	*	H	α-helix	trans	-60	-42.9	174.8	172.6	0	0	0	0	111.1	L539 M545 L546 V547	L539-V543 WeakPolarHBondContact O-CG2 3.44Å; L539-V543 PolarHBondContact O-N 3.44Å; V543-M545 VanDerWaalsContact C-N 3.32Å; V543-M545 PolarHBondContact O-N 2.79Å; V543-L546 PolarHBondContact O-N 3.45Å; V543-V547 HydrophobicContact CG1-CG2 4.36Å; V543-V547 WeakPolarHBondContact O-CB 3.43Å; V543-V547 VanDerWaalsContact O-CG2 3.3Å; V543-V547 WeakPolarHBondContact O-CG2 3.28Å; V543-V547 PolarHBondContact O-N 2.81Å
544	K	90.9	Very high	85.5	Confident	146 Å²	146	117.2 Å²	117.2	64%	0.635	56%	0.56	S	S	*	*	H	α-helix	trans	-63.8	-36.2	176	-172	179	-179.8	-174.6	0	112.3	K540 K541 Y542 N548	K540-K544 VanDerWaalsContact O-CB 3.27Å; K540-K544 WeakPolarHBondContact O-CB 3.31Å; K540-K544 PolarHBondContact O-N 3.27Å; K541-K544 PolarHBondContact O-N 3.19Å; Y542-K544 VanDerWaalsContact C-N 3.33Å; Y542-K544 PolarHBondContact O-N 3Å; K544-N548 WeakPolarHBondContact O-CB 3.06Å; K544-N548 VanDerWaalsContact O-CG 3.28Å; K544-N548 PolarHBondContact O-N 2.8Å
545	M	88.3	Confident	85.6	Confident	120 Å²	120	119.3 Å²	119.3	59%	0.591	57%	0.568	S	S	*	*	H	α-helix	trans	-66.5	-46.2	175.2	-168.3	-165.4	-62.7	0	0	111.5	K541 Y542 V543 N548 R549	K541-M545 PolarHBondContact O-N 2.85Å; Y542-M545 WeakPolarHBondContact O-CB 3.29Å; Y542-M545 PolarHBondContact O-N 3.07Å; Y542-M545 VanDerWaalsContact O-N 3.14Å; V543-M545 VanDerWaalsContact C-N 3.32Å; V543-M545 PolarHBondContact O-N 2.79Å; M545-N548 PolarHBondContact O-N 3.25Å; M545-R549 WeakPolarHBondContact O-CB 3.32Å; M545-R549 PolarHBondContact O-N 2.82Å
546	L	89.8	Confident	85.6	Confident	110 Å²	110	120.7 Å²	120.7	58%	0.576	57%	0.569	S	S	*	*	H	α-helix	trans	-63.2	-44.8	177.4	-71.4	169.7	0	0	0	112.1	Y542 V543 N548 R549 Q550	Y542-L546 WeakPolarHBondContact O-CG 3.5Å; Y542-L546 PolarHBondContact O-N 2.81Å; V543-L546 PolarHBondContact O-N 3.45Å; L546-N548 VanDerWaalsContact C-N 3.35Å; L546-N548 PolarHBondContact O-N 2.9Å; L546-R549 PolarHBondContact O-N 2.88Å; L546-Q550 PolarHBondContact O-N 2.86Å
547	V	89.9	Confident	85.4	Confident	83 Å²	83	119.3 Å²	119.3	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-62.1	-41.4	175.1	169.5	0	0	0	0	111.3	V543 K551	V543-V547 HydrophobicContact CG1-CG2 4.36Å; V543-V547 WeakPolarHBondContact O-CB 3.43Å; V543-V547 VanDerWaalsContact O-CG2 3.3Å; V543-V547 WeakPolarHBondContact O-CG2 3.28Å; V543-V547 PolarHBondContact O-N 2.81Å; V547-K551 WeakPolarHBondContact O-CB 3.43Å; V547-K551 PolarHBondContact O-N 3.14Å
548	N	87.9	Confident	85.3	Confident	89 Å²	89	115.8 Å²	115.8	48%	0.476	56%	0.555	S	S	.	*	H	α-helix	trans	-63.8	-44.1	174	-80.6	-8.9	0	0	0	111.9	K544 M545 L546 K551 E552	K544-N548 WeakPolarHBondContact O-CB 3.06Å; K544-N548 VanDerWaalsContact O-CG 3.28Å; K544-N548 PolarHBondContact O-N 2.8Å; M545-N548 PolarHBondContact O-N 3.25Å; L546-N548 VanDerWaalsContact C-N 3.35Å; L546-N548 PolarHBondContact O-N 2.9Å; N548-K551 PolarHBondContact O-N 3.17Å; N548-E552 PolarHBondContact O-N 2.81Å
549	R	87.1	Confident	85	Confident	187 Å²	187	112.9 Å²	112.9	71%	0.706	54%	0.542	S	S	*	.	H	α-helix	trans	-62.6	-47	178.4	-172.1	175.1	179.4	176.5	-0.6	111.6	M545 L546 K551 E552 T553	M545-R549 WeakPolarHBondContact O-CB 3.32Å; M545-R549 PolarHBondContact O-N 2.82Å; L546-R549 PolarHBondContact O-N 2.88Å; R549-K551 PolarHBondContact O-N 2.67Å; R549-E552 PolarHBondContact O-N 3.09Å; R549-T553 PolarHBondContact O-N 2.63Å; R549-T553 PolarHBondContact O-OG1 2.83Å
550	Q	83.4	Confident	84.5	Confident	150 Å²	150	107.8 Å²	107.8	70%	0.701	52%	0.518	S	S	*	.	H	α-helix	trans	-61.4	-42.2	173.9	-76.9	-164.4	-13.7	0	0	112.1	L546 E552 T553 A554	L546-Q550 PolarHBondContact O-N 2.86Å; Q550-E552 VanDerWaalsContact C-N 3.31Å; Q550-E552 PolarHBondContact O-N 2.84Å; Q550-T553 PolarHBondContact O-N 2.94Å; Q550-A554 VanDerWaalsContact O-CB 3.25Å; Q550-A554 WeakPolarHBondContact O-CB 3.23Å; Q550-A554 PolarHBondContact O-N 3.17Å
551	K	85.8	Confident	84	Confident	152 Å²	152	104.2 Å²	104.2	66%	0.661	51%	0.505	S	S	*	.	H	α-helix	trans	-63.6	-34.9	176.9	-174.2	177	-178.3	179.7	0	112.6	V547 N548 R549 R555	V547-K551 WeakPolarHBondContact O-CB 3.43Å; V547-K551 PolarHBondContact O-N 3.14Å; N548-K551 PolarHBondContact O-N 3.17Å; R549-K551 PolarHBondContact O-N 2.67Å; K551-R555 WeakPolarHBondContact O-CB 3.42Å; K551-R555 PolarHBondContact O-N 3.2Å
552	E	82.2	Confident	83.6	Confident	107 Å²	107	98.6 Å²	98.6	50%	0.5	48%	0.481	S	S	.	.	H	α-helix	trans	-74.6	-43.7	175.4	-166.6	178.6	139.7	0	0	112.1	N548 R549 Q550 A554 R555 K556	N548-E552 PolarHBondContact O-N 2.81Å; R549-E552 PolarHBondContact O-N 3.09Å; Q550-E552 VanDerWaalsContact C-N 3.31Å; Q550-E552 PolarHBondContact O-N 2.84Å; E552-A554 VanDerWaalsContact C-N 3.33Å; E552-A554 PolarHBondContact O-N 3.11Å; E552-R555 WeakPolarHBondContact O-CB 3.25Å; E552-R555 PolarHBondContact O-N 2.91Å; E552-R555 VanDerWaalsContact O-N 3.11Å; E552-K556 HydrophobicContact CG-CD 4.47Å; E552-K556 WeakPolarHBondContact O-CG 3.35Å; E552-K556 PolarHBondContact O-N 2.84Å; E552-K556 WeakPolarHBondContact OE1-CE 3.1Å; E552-K556 IonicContact OE1-NZ 3.56Å; E552-K556 PolarHBondContact OE1-NZ 2.88Å
553	T	81	Confident	83.4	Confident	88 Å²	88	92.7 Å²	92.7	54%	0.54	46%	0.457	S	S	.	.	H	α-helix	trans	-58.3	-44.8	172.8	-62.2	0	0	0	0	111.2	R549 Q550 R555 K556 S557	R549-T553 PolarHBondContact O-N 2.63Å; R549-T553 PolarHBondContact O-OG1 2.83Å; Q550-T553 PolarHBondContact O-N 2.94Å; T553-R555 VanDerWaalsContact C-N 3.31Å; T553-R555 PolarHBondContact O-N 2.79Å; T553-K556 PolarHBondContact O-N 3.19Å; T553-S557 PolarHBondContact O-N 2.91Å; T553-S557 PolarHBondContact O-OG 2.98Å
554	A	83.4	Confident	82.9	Confident	54 Å²	54	93.3 Å²	93.3	45%	0.446	45%	0.451	S	S	.	.	H	α-helix	trans	-64.7	-32.5	175.1	0	0	0	0	0	112.9	Q550 E552 S557 L558	Q550-A554 VanDerWaalsContact O-CB 3.25Å; Q550-A554 WeakPolarHBondContact O-CB 3.23Å; Q550-A554 PolarHBondContact O-N 3.17Å; E552-A554 VanDerWaalsContact C-N 3.33Å; E552-A554 PolarHBondContact O-N 3.11Å; A554-S557 WeakPolarHBondContact CA-OG 3.18Å; A554-S557 PolarHBondContact O-OG 3.42Å; A554-L558 WeakPolarHBondContact O-CB 3.41Å; A554-L558 PolarHBondContact O-N 2.95Å
555	R	80	Confident	82.3	Confident	185 Å²	185	87 Å²	87	70%	0.698	43%	0.425	S	S	*	.	H	α-helix	trans	-70.7	-41.7	173.9	-173.2	179.7	-176.5	-174.3	0.8	111.8	K551 E552 T553 V559	K551-R555 WeakPolarHBondContact O-CB 3.42Å; K551-R555 PolarHBondContact O-N 3.2Å; E552-R555 WeakPolarHBondContact O-CB 3.25Å; E552-R555 PolarHBondContact O-N 2.91Å; E552-R555 VanDerWaalsContact O-N 3.11Å; T553-R555 VanDerWaalsContact C-N 3.31Å; T553-R555 PolarHBondContact O-N 2.79Å; R555-V559 WeakPolarHBondContact O-CG2 3.32Å; R555-V559 PolarHBondContact O-N 3.18Å
556	K	78.7	Confident	82	Confident	126 Å²	126	81.3 Å²	81.3	55%	0.548	40%	0.397	S	S	.	.	H	α-helix	trans	-66.5	-46.1	177.2	-72.3	177.2	-177	169.9	0	111.2	E552 T553 L558 V559 A560	E552-K556 HydrophobicContact CG-CD 4.47Å; E552-K556 WeakPolarHBondContact O-CG 3.35Å; E552-K556 PolarHBondContact O-N 2.84Å; E552-K556 WeakPolarHBondContact OE1-CE 3.1Å; E552-K556 IonicContact OE1-NZ 3.56Å; E552-K556 PolarHBondContact OE1-NZ 2.88Å; T553-K556 PolarHBondContact O-N 3.19Å; K556-L558 VanDerWaalsContact C-N 3.35Å; K556-L558 PolarHBondContact O-N 2.83Å; K556-V559 PolarHBondContact O-N 3.33Å; K556-A560 WeakPolarHBondContact O-CB 3.38Å; K556-A560 PolarHBondContact O-N 2.74Å
557	S	79.4	Confident	81.6	Confident	62 Å²	62	76.1 Å²	76.1	43%	0.434	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-38.3	176	66.1	0	0	0	0	112.4	T553 A554 A560 M561	T553-S557 PolarHBondContact O-N 2.91Å; T553-S557 PolarHBondContact O-OG 2.98Å; A554-S557 WeakPolarHBondContact CA-OG 3.18Å; A554-S557 PolarHBondContact O-OG 3.42Å; S557-A560 PolarHBondContact O-N 3.05Å; S557-M561 WeakPolarHBondContact O-CB 3.43Å; S557-M561 WeakPolarHBondContact O-CG 3.47Å; S557-M561 PolarHBondContact O-N 3.04Å
558	L	80	Confident	81	Confident	66 Å²	66	75.5 Å²	75.5	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-47.1	173.6	-176.5	156.8	0	0	0	112.1	P398 A554 K556 M561 E562	P398-L558 HydrophobicContact CG-CD1 3.67Å; A554-L558 WeakPolarHBondContact O-CB 3.41Å; A554-L558 PolarHBondContact O-N 2.95Å; K556-L558 VanDerWaalsContact C-N 3.35Å; K556-L558 PolarHBondContact O-N 2.83Å; L558-M561 PolarHBondContact O-N 2.88Å; L558-E562 HydrophobicContact CD2-CG 4.32Å; L558-E562 PolarHBondContact O-N 2.61Å
559	V	77.4	Confident	80.7	Confident	17 Å²	17	71.3 Å²	71.3	10%	0.103	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-45	177.1	168.8	0	0	0	0	110.9	R555 K556 M561 E562 W563	R555-V559 WeakPolarHBondContact O-CG2 3.32Å; R555-V559 PolarHBondContact O-N 3.18Å; K556-V559 PolarHBondContact O-N 3.33Å; V559-M561 VanDerWaalsContact C-N 3.32Å; V559-M561 PolarHBondContact O-N 2.82Å; V559-E562 PolarHBondContact O-N 2.74Å; V559-W563 VanDerWaalsContact O-CD1 3.25Å; V559-W563 PolarHBondContact O-N 3.03Å; V559-W563 VanDerWaalsContact O-N 3.12Å
560	A	77.4	Confident	80.5	Confident	17 Å²	17	63.2 Å²	63.2	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-43.3	174.3	0	0	0	0	0	111.6	K556 S557 E562 W563 R564	K556-A560 WeakPolarHBondContact O-CB 3.38Å; K556-A560 PolarHBondContact O-N 2.74Å; S557-A560 PolarHBondContact O-N 3.05Å; A560-E562 PolarHBondContact O-N 3.24Å; A560-W563 PolarHBondContact O-N 2.97Å; A560-R564 WeakPolarHBondContact O-CG 3.35Å; A560-R564 PolarHBondContact O-N 3.19Å
561	M	78.3	Confident	80.5	Confident	84 Å²	84	56.6 Å²	56.6	41%	0.414	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-33.1	177.5	-69.4	-73.7	-90.9	0	0	113	S557 L558 V559 T565	S557-M561 WeakPolarHBondContact O-CB 3.43Å; S557-M561 WeakPolarHBondContact O-CG 3.47Å; S557-M561 PolarHBondContact O-N 3.04Å; L558-M561 PolarHBondContact O-N 2.88Å; V559-M561 VanDerWaalsContact C-N 3.32Å; V559-M561 PolarHBondContact O-N 2.82Å; M561-T565 WeakPolarHBondContact O-CB 3.37Å; M561-T565 PolarHBondContact O-N 2.7Å; M561-T565 PolarHBondContact O-OG1 3.49Å
562	E	79.2	Confident	80.4	Confident	10 Å²	10	53 Å²	53	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-43.5	170.5	-69.3	-170.9	172	0	0	111.6	V373 R378 L397 L558 V559 A560 T565 L566	V373-E562 HydrophobicContact CG2-CB 3.78Å; R378-E562 IonicContact CZ-OE1 2.75Å; R378-E562 IonicContact NH1-OE1 3.87Å; R378-E562 PolarHBondContact NH1-OE1 3.39Å; R378-E562 IonicContact NH1-OE2 2.7Å; R378-E562 PolarHBondContact NH1-OE2 3.43Å; R378-E562 IonicContact NH2-OE1 3.84Å; L397-E562 HydrophobicContact CD2-CG 4.06Å; L558-E562 HydrophobicContact CD2-CG 4.32Å; L558-E562 PolarHBondContact O-N 2.61Å; V559-E562 PolarHBondContact O-N 2.74Å; A560-E562 PolarHBondContact O-N 3.24Å; E562-T565 PolarHBondContact O-N 3.44Å; E562-L566 WeakPolarHBondContact O-CB 3.37Å; E562-L566 PolarHBondContact O-N 2.9Å
563	W	81.1	Confident	80.4	Confident	11 Å²	11	49.8 Å²	49.8	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-67.9	-38	175.6	-75.7	105.4	0	0	0	113.1	L363 G367 G371 V373 L377 V559 A560 L566 A567	L363-W563 HydrophobicContact CD2-CZ3 4.13Å; G367-W563 VanDerWaalsContact CA-CG 3.41Å; G371-W563 PolarHBondContact O-NE1 2.88Å; V373-W563 HydrophobicContact CG2-CD2 3.83Å; V373-W563 HydrophobicContact CG2-CE3 4.41Å; V373-W563 HydrophobicContact CG2-CG 3.98Å; V373-W563 HydrophobicContact CG2-CZ2 4.29Å; L377-W563 HydrophobicContact CD2-CH2 4.19Å; L377-W563 HydrophobicContact CD2-CZ3 4.16Å; V559-W563 VanDerWaalsContact O-CD1 3.25Å; V559-W563 PolarHBondContact O-N 3.03Å; V559-W563 VanDerWaalsContact O-N 3.12Å; A560-W563 PolarHBondContact O-N 2.97Å; W563-L566 HydrophobicContact CE3-CD1 4.15Å; W563-L566 HydrophobicContact CE3-CD2 4.41Å; W563-L566 HydrophobicContact CZ3-CD1 4.15Å; W563-L566 WeakPolarHBondContact O-CB 3.17Å; W563-L566 PolarHBondContact O-N 2.95Å; W563-A567 WeakPolarHBondContact O-CB 3.34Å; W563-A567 PolarHBondContact O-N 3.03Å
564	R	79.7	Confident	80.5	Confident	95 Å²	95	47.1 Å²	47.1	36%	0.358	23%	0.229	S	C	.	.	H	α-helix	trans	-60.8	-45	171.2	-70.3	-169.6	173.3	130.7	-2	111.8	E303 Y364 A560 L566 A567 I568	E303-R564 IonicContact OE1-NE 3.48Å; Y364-R564 HydrophobicContact CD2-CG 4.08Å; Y364-R564 HydrophobicContact CE2-CB 4.46Å; Y364-R564 HydrophobicContact CE2-CG 3.56Å; Y364-R564 PolarHBondContact OH-NE 3.03Å; Y364-R564 PolarHBondContact OH-NH2 3.35Å; A560-R564 WeakPolarHBondContact O-CG 3.35Å; A560-R564 PolarHBondContact O-N 3.19Å; R564-L566 VanDerWaalsContact C-N 3.34Å; R564-L566 PolarHBondContact O-N 3.36Å; R564-A567 PolarHBondContact O-N 3.49Å; R564-I568 WeakPolarHBondContact O-CG1 3.43Å; R564-I568 PolarHBondContact O-N 2.86Å
565	T	79	Confident	80.6	Confident	15 Å²	15	45.7 Å²	45.7	9%	0.092	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-44.4	177.4	-55.1	0	0	0	0	110.6	I382 I395 M561 E562 I568 V569	I382-T565 HydrophobicContact CG2-CG2 4.46Å; I395-T565 WeakPolarHBondContact CD1-OG1 3.39Å; M561-T565 WeakPolarHBondContact O-CB 3.37Å; M561-T565 PolarHBondContact O-N 2.7Å; M561-T565 PolarHBondContact O-OG1 3.49Å; E562-T565 PolarHBondContact O-N 3.44Å; T565-I568 PolarHBondContact O-N 3.5Å; T565-V569 HydrophobicContact CG2-CG2 4.48Å; T565-V569 WeakPolarHBondContact O-CB 3.48Å; T565-V569 VanDerWaalsContact O-CG2 3.27Å; T565-V569 WeakPolarHBondContact O-CG2 3.42Å; T565-V569 PolarHBondContact O-N 3.41Å
566	L	81.5	Confident	80.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-46.6	175.4	-176.7	158	0	0	0	112	L363 V373 L377 I381 I382 E562 W563 R564 I568 V569 L570	L363-L566 HydrophobicContact CD1-CD2 4.12Å; V373-L566 HydrophobicContact CG1-CD1 3.64Å; V373-L566 HydrophobicContact CG2-CD1 4.38Å; L377-L566 HydrophobicContact CD2-CD1 3.74Å; L377-L566 HydrophobicContact CG-CD1 3.88Å; I381-L566 HydrophobicContact CB-CG 4.49Å; I381-L566 HydrophobicContact CD1-CD1 4.25Å; I381-L566 HydrophobicContact CD1-CD2 4.18Å; I381-L566 HydrophobicContact CD1-CG 4.01Å; I381-L566 HydrophobicContact CG2-CG 4.18Å; I382-L566 HydrophobicContact CD1-CB 4.32Å; I382-L566 HydrophobicContact CG1-CB 4.41Å; E562-L566 WeakPolarHBondContact O-CB 3.37Å; E562-L566 PolarHBondContact O-N 2.9Å; W563-L566 HydrophobicContact CE3-CD1 4.15Å; W563-L566 HydrophobicContact CE3-CD2 4.41Å; W563-L566 HydrophobicContact CZ3-CD1 4.15Å; W563-L566 WeakPolarHBondContact O-CB 3.17Å; W563-L566 PolarHBondContact O-N 2.95Å; R564-L566 VanDerWaalsContact C-N 3.34Å; R564-L566 PolarHBondContact O-N 3.36Å; L566-I568 PolarHBondContact O-N 3.42Å; L566-V569 PolarHBondContact O-N 3.19Å; L566-L570 HydrophobicContact CD2-CD1 3.7Å; L566-L570 HydrophobicContact CD2-CG 4.3Å; L566-L570 PolarHBondContact O-N 3.5Å
567	A	81.3	Confident	81.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-46.7	177.3	0	0	0	0	0	112.1	V360 Y364 W563 R564 L570 D571	V360-A567 HydrophobicContact CG1-CB 3.77Å; Y364-A567 HydrophobicContact CD2-CB 4.45Å; W563-A567 WeakPolarHBondContact O-CB 3.34Å; W563-A567 PolarHBondContact O-N 3.03Å; R564-A567 PolarHBondContact O-N 3.49Å; A567-L570 PolarHBondContact O-N 3.13Å; A567-D571 WeakPolarHBondContact O-CB 3.46Å; A567-D571 PolarHBondContact O-N 3.04Å
568	I	78.4	Confident	81.4	Confident	70 Å²	70	36.8 Å²	36.8	36%	0.359	18%	0.175	S	C	.	.	H	α-helix	trans	-65.8	-39.1	178.1	-66.9	164.3	0	0	0	111.6	V391 R564 T565 L566 D571 R572	V391-I568 HydrophobicContact CG1-CG2 4.33Å; R564-I568 WeakPolarHBondContact O-CG1 3.43Å; R564-I568 PolarHBondContact O-N 2.86Å; T565-I568 PolarHBondContact O-N 3.5Å; L566-I568 PolarHBondContact O-N 3.42Å; I568-D571 PolarHBondContact O-N 3.03Å; I568-R572 WeakPolarHBondContact O-CB 3.49Å; I568-R572 WeakPolarHBondContact O-CG 3.34Å; I568-R572 PolarHBondContact O-N 3.45Å
569	V	81.6	Confident	81.7	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-68.1	-37.4	177.5	172.2	0	0	0	0	111.7	I381 I385 V391 T565 L566 L573	I381-V569 HydrophobicContact CG2-CB 3.97Å; I381-V569 HydrophobicContact CG2-CG1 3.58Å; I385-V569 HydrophobicContact CB-CG1 4.09Å; I385-V569 HydrophobicContact CG2-CG1 3.71Å; V391-V569 HydrophobicContact CB-CG2 3.9Å; V391-V569 HydrophobicContact CG1-CG2 3.86Å; V391-V569 HydrophobicContact CG2-CG2 4.1Å; T565-V569 HydrophobicContact CG2-CG2 4.48Å; T565-V569 WeakPolarHBondContact O-CB 3.48Å; T565-V569 VanDerWaalsContact O-CG2 3.27Å; T565-V569 WeakPolarHBondContact O-CG2 3.42Å; T565-V569 PolarHBondContact O-N 3.41Å; L566-V569 PolarHBondContact O-N 3.19Å; V569-L573 PolarHBondContact O-N 3.41Å
570	L	82.5	Confident	82	Confident	17 Å²	17	39.3 Å²	39.3	9%	0.089	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-47.9	172.5	-78	179.8	0	0	0	112.1	V360 L363 I381 L566 A567 R572 L573 F574	V360-L570 HydrophobicContact CG2-CB 4.04Å; V360-L570 HydrophobicContact CG2-CD1 4.48Å; L363-L570 HydrophobicContact CD1-CD1 3.89Å; I381-L570 HydrophobicContact CD1-CD1 4.18Å; I381-L570 HydrophobicContact CD1-CD2 3.83Å; I381-L570 HydrophobicContact CD1-CG 4.05Å; I381-L570 HydrophobicContact CG1-CD2 4.42Å; I381-L570 HydrophobicContact CG2-CD2 4.41Å; I381-L570 HydrophobicContact CG2-CG 4.32Å; L566-L570 HydrophobicContact CD2-CD1 3.7Å; L566-L570 HydrophobicContact CD2-CG 4.3Å; L566-L570 PolarHBondContact O-N 3.5Å; A567-L570 PolarHBondContact O-N 3.13Å; L570-R572 VanDerWaalsContact C-N 3.28Å; L570-R572 PolarHBondContact O-N 3.2Å; L570-L573 WeakPolarHBondContact O-CB 3.13Å; L570-L573 PolarHBondContact O-N 3.42Å; L570-F574 HydrophobicContact CB-CD2 4.5Å; L570-F574 HydrophobicContact CB-CE2 3.91Å; L570-F574 HydrophobicContact CB-CZ 4.29Å; L570-F574 HydrophobicContact CD2-CZ 4.07Å; L570-F574 WeakPolarHBondContact O-CD2 3.34Å; L570-F574 VanDerWaalsContact O-CG 3.26Å; L570-F574 WeakPolarHBondContact O-CG 3.47Å; L570-F574 PolarHBondContact O-N 3.07Å
571	D	83	Confident	82.4	Confident	10 Å²	10	40.6 Å²	40.6	5%	0.053	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-40	178.6	-165	31	0	0	0	111.5	K307 A567 I568 F574 F575	K307-D571 IonicContact NZ-OD1 2.74Å; K307-D571 PolarHBondContact NZ-OD1 2.93Å; K307-D571 IonicContact NZ-OD2 3.22Å; K307-D571 PolarHBondContact NZ-OD2 3.21Å; A567-D571 WeakPolarHBondContact O-CB 3.46Å; A567-D571 PolarHBondContact O-N 3.04Å; I568-D571 PolarHBondContact O-N 3.03Å; D571-F574 PolarHBondContact O-N 2.91Å; D571-F575 PolarHBondContact O-N 3.4Å
572	R	82.6	Confident	82.7	Confident	77 Å²	77	37.6 Å²	37.6	29%	0.291	18%	0.182	S	C	.	.	H	α-helix	trans	-70.6	-31.9	173.2	-68.6	-67.2	175	-172.1	-5	113.8	T389 V391 I568 L570 F576	T389-R572 HydrophobicContact CG2-CB 4.37Å; V391-R572 HydrophobicContact CG2-CG 4.32Å; I568-R572 WeakPolarHBondContact O-CB 3.49Å; I568-R572 WeakPolarHBondContact O-CG 3.34Å; I568-R572 PolarHBondContact O-N 3.45Å; L570-R572 VanDerWaalsContact C-N 3.28Å; L570-R572 PolarHBondContact O-N 3.2Å; R572-F576 WeakPolarHBondContact O-CD2 3.49Å; R572-F576 PolarHBondContact O-N 2.78Å
573	L	83.2	Confident	83	Confident	39 Å²	39	41.1 Å²	41.1	20%	0.204	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-47.1	170.7	176.3	68.1	0	0	0	110.8	I385 V569 L570 F575 F576 I577	I385-L573 HydrophobicContact CD1-CD2 4.06Å; I385-L573 HydrophobicContact CG2-CB 4.08Å; I385-L573 HydrophobicContact CG2-CD1 4.1Å; I385-L573 HydrophobicContact CG2-CD2 4.27Å; I385-L573 HydrophobicContact CG2-CG 4.38Å; V569-L573 PolarHBondContact O-N 3.41Å; L570-L573 WeakPolarHBondContact O-CB 3.13Å; L570-L573 PolarHBondContact O-N 3.42Å; L573-F575 VanDerWaalsContact C-N 3.3Å; L573-F575 PolarHBondContact O-N 2.87Å; L573-F576 PolarHBondContact O-N 3.14Å; L573-I577 HydrophobicContact CD1-CD1 4.26Å; L573-I577 HydrophobicContact CG-CD1 3.97Å; L573-I577 WeakPolarHBondContact O-CG1 3.39Å; L573-I577 PolarHBondContact O-N 3.37Å
574	F	83.6	Confident	83.2	Confident	32 Å²	32	45.7 Å²	45.7	14%	0.14	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-34.3	179.6	-56.8	-37.2	0	0	0	112.1	F298 L356 V360 L570 D571 I577 Y578	F298-F574 HydrophobicContact CE1-CB 3.96Å; L356-F574 HydrophobicContact CB-CD2 3.86Å; L356-F574 HydrophobicContact CB-CE2 3.86Å; L356-F574 HydrophobicContact CB-CG 4.38Å; L356-F574 HydrophobicContact CB-CZ 4.39Å; L356-F574 HydrophobicContact CD1-CD1 3.81Å; L356-F574 HydrophobicContact CD1-CD2 4.23Å; L356-F574 HydrophobicContact CD1-CE1 3.99Å; L356-F574 HydrophobicContact CD1-CE2 4.39Å; L356-F574 HydrophobicContact CD1-CG 3.95Å; L356-F574 HydrophobicContact CD1-CZ 4.28Å; L356-F574 HydrophobicContact CD2-CE1 4.14Å; L356-F574 HydrophobicContact CD2-CE2 4.12Å; L356-F574 HydrophobicContact CD2-CZ 3.8Å; L356-F574 HydrophobicContact CG-CD2 4.49Å; L356-F574 HydrophobicContact CG-CE2 4.34Å; L356-F574 HydrophobicContact CG-CZ 4.38Å; V360-F574 HydrophobicContact CG2-CD2 4.37Å; V360-F574 HydrophobicContact CG2-CE2 3.87Å; L570-F574 HydrophobicContact CB-CD2 4.5Å; L570-F574 HydrophobicContact CB-CE2 3.91Å; L570-F574 HydrophobicContact CB-CZ 4.29Å; L570-F574 HydrophobicContact CD2-CZ 4.07Å; L570-F574 WeakPolarHBondContact O-CD2 3.34Å; L570-F574 VanDerWaalsContact O-CG 3.26Å; L570-F574 WeakPolarHBondContact O-CG 3.47Å; L570-F574 PolarHBondContact O-N 3.07Å; D571-F574 PolarHBondContact O-N 2.91Å; F574-I577 HydrophobicContact CD1-CD1 4.42Å; F574-I577 PolarHBondContact O-N 3.5Å; F574-Y578 VanDerWaalsContact O-CB 3.26Å; F574-Y578 WeakPolarHBondContact O-CB 3.46Å; F574-Y578 PolarHBondContact O-N 3.44Å
575	F	84.9	Confident	83.3	Confident	24 Å²	24	41.8 Å²	41.8	11%	0.105	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-48.2	170	177.4	-121	0	0	0	113.2	F298 W299 D571 L573 Y578 I579	F298-F575 HydrophobicContact CB-CB 3.85Å; F298-F575 HydrophobicContact CB-CD2 3.29Å; F298-F575 HydrophobicContact CB-CE2 4.09Å; F298-F575 HydrophobicContact CB-CG 3.88Å; F298-F575 HydrophobicContact CD1-CB 3.92Å; F298-F575 HydrophobicContact CD2-CD2 4.07Å; F298-F575 HydrophobicContact CG-CB 3.97Å; F298-F575 AromaticContact CG-CD2 3.76Å; F298-F575 HydrophobicContact CG-CD2 3.76Å; F298-F575 HydrophobicContact CG-CG 4.33Å; W299-F575 AromaticContact CD1-CE2 3.98Å; W299-F575 AromaticContact NE1-CE2 3.89Å; W299-F575 AromaticContact NE1-CZ 3.47Å; D571-F575 PolarHBondContact O-N 3.4Å; L573-F575 VanDerWaalsContact C-N 3.3Å; L573-F575 PolarHBondContact O-N 2.87Å; F575-Y578 PolarHBondContact O-N 3.25Å; F575-I579 HydrophobicContact CD1-CD1 4.36Å; F575-I579 HydrophobicContact CD2-CD1 4.07Å; F575-I579 HydrophobicContact CD2-CG1 4.44Å; F575-I579 HydrophobicContact CE1-CD1 3.79Å; F575-I579 HydrophobicContact CE2-CD1 3.49Å; F575-I579 VanDerWaalsContact CE2-CD1 3.49Å; F575-I579 HydrophobicContact CE2-CG1 4.18Å; F575-I579 HydrophobicContact CZ-CD1 3.34Å; F575-I579 HydrophobicContact CZ-CG1 4.46Å; F575-I579 PolarHBondContact O-N 3.07Å
576	F	83.9	Confident	83.5	Confident	105 Å²	105	44.1 Å²	44.1	46%	0.461	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-42.2	178.2	-75.3	-63.8	0	0	0	112	T389 R572 L573 Y578 I579 T580	T389-F576 HydrophobicContact CG2-CD2 4.07Å; T389-F576 HydrophobicContact CG2-CE2 4.12Å; R572-F576 WeakPolarHBondContact O-CD2 3.49Å; R572-F576 PolarHBondContact O-N 2.78Å; L573-F576 PolarHBondContact O-N 3.14Å; F576-Y578 PolarHBondContact O-N 3.24Å; F576-I579 PolarHBondContact O-N 2.87Å; F576-T580 WeakPolarHBondContact O-CG2 3.43Å; F576-T580 PolarHBondContact O-N 3.25Å; F576-T580 PolarHBondContact O-OG1 3.31Å
577	I	85.1	Confident	83.5	Confident	78 Å²	78	49.3 Å²	49.3	40%	0.4	26%	0.262	S	S	.	.	H	α-helix	trans	-57.7	-51	173.8	-66.9	169.3	0	0	0	109.6	L573 F574 I579 T580 T581	L573-I577 HydrophobicContact CD1-CD1 4.26Å; L573-I577 HydrophobicContact CG-CD1 3.97Å; L573-I577 WeakPolarHBondContact O-CG1 3.39Å; L573-I577 PolarHBondContact O-N 3.37Å; F574-I577 HydrophobicContact CD1-CD1 4.42Å; F574-I577 PolarHBondContact O-N 3.5Å; I577-I579 PolarHBondContact O-N 2.93Å; I577-T580 PolarHBondContact O-N 3.04Å; I577-T580 VanDerWaalsContact O-N 3.1Å; I577-T580 PolarHBondContact O-OG1 3.09Å; I577-T581 PolarHBondContact O-N 3.47Å; I577-T581 PolarHBondContact O-OG1 2.87Å; I577-T581 VanDerWaalsContact O-OG1 3.05Å
578	Y	86.7	Confident	83.4	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-56.6	-45.9	179.6	-171.4	-83.9	0	0	0	112.4	T294 L295 F298 M349 F574 F575 F576 T581 I582	T294-Y578 WeakPolarHBondContact CB-OH 3.46Å; T294-Y578 WeakPolarHBondContact CG2-OH 3.46Å; T294-Y578 VanDerWaalsContact OG1-CE1 3.27Å; T294-Y578 WeakPolarHBondContact OG1-CE1 3.35Å; T294-Y578 PolarHBondContact OG1-OH 2.96Å; L295-Y578 HydrophobicContact CD2-CD1 4.15Å; L295-Y578 HydrophobicContact CD2-CE1 4.22Å; F298-Y578 HydrophobicContact CD2-CD1 4.39Å; F298-Y578 HydrophobicContact CD2-CG 4.33Å; F298-Y578 AromaticContact CE2-CD1 3.72Å; F298-Y578 HydrophobicContact CE2-CD1 3.72Å; F298-Y578 AromaticContact CE2-CD2 3.56Å; F298-Y578 HydrophobicContact CE2-CD2 3.56Å; F298-Y578 HydrophobicContact CE2-CE1 4.3Å; F298-Y578 HydrophobicContact CE2-CE2 4.15Å; F298-Y578 AromaticContact CE2-CG 3.33Å; F298-Y578 HydrophobicContact CE2-CG 3.33Å; F298-Y578 HydrophobicContact CZ-CD1 4.48Å; F298-Y578 AromaticContact CZ-CD2 3.67Å; F298-Y578 HydrophobicContact CZ-CD2 3.67Å; F298-Y578 AromaticContact CZ-CG 3.66Å; F298-Y578 HydrophobicContact CZ-CG 3.66Å; M349-Y578 HydrophobicContact CB-CD2 4.32Å; M349-Y578 HydrophobicContact CB-CE2 3.75Å; M349-Y578 HydrophobicContact CE-CD2 3.61Å; M349-Y578 HydrophobicContact CE-CE2 4.16Å; M349-Y578 HydrophobicContact CE-CG 4.34Å; F574-Y578 VanDerWaalsContact O-CB 3.26Å; F574-Y578 WeakPolarHBondContact O-CB 3.46Å; F574-Y578 PolarHBondContact O-N 3.44Å; F575-Y578 PolarHBondContact O-N 3.25Å; F576-Y578 PolarHBondContact O-N 3.24Å; Y578-T581 VanDerWaalsContact CA-OG1 3.29Å; Y578-T581 WeakPolarHBondContact CA-OG1 3.44Å; Y578-T581 PolarHBondContact O-N 3.25Å; Y578-T581 PolarHBondContact O-OG1 3.35Å; Y578-I582 HydrophobicContact CD1-CG2 4.48Å; Y578-I582 HydrophobicContact CE1-CB 4.31Å; Y578-I582 HydrophobicContact CE1-CD1 3.95Å; Y578-I582 HydrophobicContact CE1-CG2 4.36Å; Y578-I582 WeakPolarHBondContact O-CG2 3.42Å; Y578-I582 PolarHBondContact O-N 3.27Å
579	I	85.3	Confident	83.2	Confident	55 Å²	55	51.8 Å²	51.8	28%	0.282	28%	0.281	S	S	.	.	H	α-helix	trans	-60.3	-46	175.2	-77.1	178.3	0	0	0	111.4	L295 F575 F576 I577 T581 I582 V583	L295-I579 HydrophobicContact CD2-CD1 4.32Å; L295-I579 HydrophobicContact CD2-CG1 3.78Å; F575-I579 HydrophobicContact CD1-CD1 4.36Å; F575-I579 HydrophobicContact CD2-CD1 4.07Å; F575-I579 HydrophobicContact CD2-CG1 4.44Å; F575-I579 HydrophobicContact CE1-CD1 3.79Å; F575-I579 HydrophobicContact CE2-CD1 3.49Å; F575-I579 VanDerWaalsContact CE2-CD1 3.49Å; F575-I579 HydrophobicContact CE2-CG1 4.18Å; F575-I579 HydrophobicContact CZ-CD1 3.34Å; F575-I579 HydrophobicContact CZ-CG1 4.46Å; F575-I579 PolarHBondContact O-N 3.07Å; F576-I579 PolarHBondContact O-N 2.87Å; I577-I579 PolarHBondContact O-N 2.93Å; I579-T581 VanDerWaalsContact C-N 3.34Å; I579-T581 PolarHBondContact O-N 2.82Å; I579-I582 PolarHBondContact O-N 3.12Å; I579-V583 HydrophobicContact CG2-CG2 4.42Å; I579-V583 WeakPolarHBondContact O-CB 3.41Å; I579-V583 VanDerWaalsContact O-CG2 3.3Å; I579-V583 WeakPolarHBondContact O-CG2 3.23Å; I579-V583 PolarHBondContact O-N 3.34Å
580	T	84.8	Confident	82.8	Confident	81 Å²	81	56 Å²	56	50%	0.497	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-41.4	177.7	56.5	0	0	0	0	112	F576 I577 I584	F576-T580 WeakPolarHBondContact O-CG2 3.43Å; F576-T580 PolarHBondContact O-N 3.25Å; F576-T580 PolarHBondContact O-OG1 3.31Å; I577-T580 PolarHBondContact O-N 3.04Å; I577-T580 VanDerWaalsContact O-N 3.1Å; I577-T580 PolarHBondContact O-OG1 3.09Å; T580-I584 WeakPolarHBondContact O-CB 3.41Å; T580-I584 WeakPolarHBondContact O-CD1 3.32Å; T580-I584 WeakPolarHBondContact O-CG1 3.24Å; T580-I584 PolarHBondContact O-N 3.19Å
581	T	85.4	Confident	82	Confident	44 Å²	44	57.6 Å²	57.6	27%	0.27	32%	0.318	S	S	.	.	H	α-helix	trans	-68.4	-38.8	178.3	46.9	0	0	0	0	113.4	M349 I577 Y578 I579 I584 A585	M349-T581 HydrophobicContact CE-CG2 4.28Å; M349-T581 WeakPolarHBondContact CE-OG1 3.4Å; M349-T581 HydrophobicContact SD-CG2 4.25Å; I577-T581 PolarHBondContact O-N 3.47Å; I577-T581 PolarHBondContact O-OG1 2.87Å; I577-T581 VanDerWaalsContact O-OG1 3.05Å; Y578-T581 VanDerWaalsContact CA-OG1 3.29Å; Y578-T581 WeakPolarHBondContact CA-OG1 3.44Å; Y578-T581 PolarHBondContact O-N 3.25Å; Y578-T581 PolarHBondContact O-OG1 3.35Å; I579-T581 VanDerWaalsContact C-N 3.34Å; I579-T581 PolarHBondContact O-N 2.82Å; T581-I584 PolarHBondContact O-N 3.43Å; T581-A585 WeakPolarHBondContact O-CB 3.4Å; T581-A585 PolarHBondContact O-N 2.97Å
582	I	84.3	Confident	80.9	Confident	21 Å²	21	67.6 Å²	67.6	11%	0.108	36%	0.355	C	S	.	.	H	α-helix	trans	-74.8	-34.5	-179.9	-157.9	171.3	0	0	0	111.6	Y578 I579 A585 V586	Y578-I582 HydrophobicContact CD1-CG2 4.48Å; Y578-I582 HydrophobicContact CE1-CB 4.31Å; Y578-I582 HydrophobicContact CE1-CD1 3.95Å; Y578-I582 HydrophobicContact CE1-CG2 4.36Å; Y578-I582 WeakPolarHBondContact O-CG2 3.42Å; Y578-I582 PolarHBondContact O-N 3.27Å; I579-I582 PolarHBondContact O-N 3.12Å; I582-A585 PolarHBondContact O-N 3.24Å; I582-V586 WeakPolarHBondContact O-CG2 3.22Å; I582-V586 PolarHBondContact O-N 3.37Å
583	V	84.7	Confident	79.6	Confident	84 Å²	84	70.1 Å²	70.1	51%	0.509	38%	0.384	S	S	.	.	H	α-helix	trans	-64	-43.8	171.5	171.1	0	0	0	0	110.8	I579 V586 V587	I579-V583 HydrophobicContact CG2-CG2 4.42Å; I579-V583 WeakPolarHBondContact O-CB 3.41Å; I579-V583 VanDerWaalsContact O-CG2 3.3Å; I579-V583 WeakPolarHBondContact O-CG2 3.23Å; I579-V583 PolarHBondContact O-N 3.34Å; V583-V586 PolarHBondContact O-N 3.37Å; V583-V587 WeakPolarHBondContact O-CB 3.41Å; V583-V587 VanDerWaalsContact O-CG2 3.3Å; V583-V587 WeakPolarHBondContact O-CG2 3.21Å; V583-V587 PolarHBondContact O-N 3.34Å
584	I	85.3	Confident	78.1	Confident	107 Å²	107	72.3 Å²	72.3	55%	0.549	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-45.5	174	-69.4	164.8	0	0	0	110.7	T580 T581 V586 V587 V588	T580-I584 WeakPolarHBondContact O-CB 3.41Å; T580-I584 WeakPolarHBondContact O-CD1 3.32Å; T580-I584 WeakPolarHBondContact O-CG1 3.24Å; T580-I584 PolarHBondContact O-N 3.19Å; T581-I584 PolarHBondContact O-N 3.43Å; I584-V586 PolarHBondContact O-N 3.25Å; I584-V587 PolarHBondContact O-N 3.44Å; I584-V588 HydrophobicContact CG2-CG2 4.31Å; I584-V588 WeakPolarHBondContact O-CB 3.45Å; I584-V588 VanDerWaalsContact O-CG2 3.31Å; I584-V588 WeakPolarHBondContact O-CG2 3.46Å; I584-V588 PolarHBondContact O-N 3.14Å
585	A	83.3	Confident	76.8	Confident	13 Å²	13	76.5 Å²	76.5	11%	0.107	42%	0.419	C	S	.	.	H	α-helix	trans	-60	-45.9	178.3	0	0	0	0	0	112.1	Y342 L345 T581 I582 V588 S589	Y342-A585 HydrophobicContact CD2-CB 4.18Å; Y342-A585 HydrophobicContact CE2-CB 4.05Å; L345-A585 HydrophobicContact CD1-CB 4.41Å; T581-A585 WeakPolarHBondContact O-CB 3.4Å; T581-A585 PolarHBondContact O-N 2.97Å; I582-A585 PolarHBondContact O-N 3.24Å; A585-V588 PolarHBondContact O-N 3.5Å; A585-S589 VanDerWaalsContact O-CB 3.27Å; A585-S589 WeakPolarHBondContact O-CB 3.3Å; A585-S589 PolarHBondContact O-N 3.17Å; A585-S589 PolarHBondContact O-OG 3.09Å
586	V	82	Confident	75.5	Confident	64 Å²	64	77.2 Å²	77.2	39%	0.388	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-46.7	175.4	170.4	0	0	0	0	111.2	Y342 I582 V583 I584 V588 S589 V590	Y342-V586 HydrophobicContact CE2-CG2 3.71Å; I582-V586 WeakPolarHBondContact O-CG2 3.22Å; I582-V586 PolarHBondContact O-N 3.37Å; V583-V586 PolarHBondContact O-N 3.37Å; I584-V586 PolarHBondContact O-N 3.25Å; V586-V588 VanDerWaalsContact C-N 3.29Å; V586-V588 PolarHBondContact O-N 3.15Å; V586-S589 PolarHBondContact O-N 3.41Å; V586-V590 HydrophobicContact CG1-CG2 4.29Å; V586-V590 WeakPolarHBondContact O-CG2 3.3Å; V586-V590 PolarHBondContact O-N 3.25Å
587	V	81.2	Confident	74.2	Confident	109 Å²	109	79.3 Å²	79.3	66%	0.661	44%	0.438	S	S	*	.	H	α-helix	trans	-65.2	-30.6	-179.6	170.3	0	0	0	0	112.7	V583 I584	V583-V587 WeakPolarHBondContact O-CB 3.41Å; V583-V587 VanDerWaalsContact O-CG2 3.3Å; V583-V587 WeakPolarHBondContact O-CG2 3.21Å; V583-V587 PolarHBondContact O-N 3.34Å; I584-V587 PolarHBondContact O-N 3.44Å
588	V	78.9	Confident	73	Confident	100 Å²	100	77 Å²	77	61%	0.606	43%	0.427	S	S	*	.	H	α-helix	trans	-80.9	-33.3	175.7	171.4	0	0	0	0	112.3	I584 A585 V586	I584-V588 HydrophobicContact CG2-CG2 4.31Å; I584-V588 WeakPolarHBondContact O-CB 3.45Å; I584-V588 VanDerWaalsContact O-CG2 3.31Å; I584-V588 WeakPolarHBondContact O-CG2 3.46Å; I584-V588 PolarHBondContact O-N 3.14Å; A585-V588 PolarHBondContact O-N 3.5Å; V586-V588 VanDerWaalsContact C-N 3.29Å; V586-V588 PolarHBondContact O-N 3.15Å
589	S	75.2	Confident	71.7	Confident	21 Å²	21	79.4 Å²	79.4	15%	0.147	44%	0.443	C	S	.	.	H	α-helix	trans	-87	-16.6	-177.8	-67.4	0	0	0	0	114.7	A585 V586 P591	A585-S589 VanDerWaalsContact O-CB 3.27Å; A585-S589 WeakPolarHBondContact O-CB 3.3Å; A585-S589 PolarHBondContact O-N 3.17Å; A585-S589 PolarHBondContact O-OG 3.09Å; V586-S589 PolarHBondContact O-N 3.41Å; S589-P591 WeakPolarHBondContact O-CD 3.37Å
590	V	73.1	Confident	70.4	Confident	91 Å²	91	81.7 Å²	81.7	55%	0.552	46%	0.461	S	S	*	.	S	Bend	trans	-69.8	121.1	171.4	167	0	0	0	0	109.5	V586 R592	V586-V590 HydrophobicContact CG1-CG2 4.29Å; V586-V590 WeakPolarHBondContact O-CG2 3.3Å; V586-V590 PolarHBondContact O-N 3.25Å; V590-R592 PolarHBondContact O-N 3.04Å
591	P	65.8	Low	69	Low	50 Å²	50	81 Å²	81	33%	0.325	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-65.1	125.6	177.9	26.9	-34	0	0	0	110.4	Y171 F174 S589	Y171-P591 HydrophobicContact CD1-CB 3.73Å; Y171-P591 HydrophobicContact CE1-CB 4.26Å; Y171-P591 HydrophobicContact CG-CB 4.47Å; F174-P591 HydrophobicContact CD2-CG 4.32Å; S589-P591 WeakPolarHBondContact O-CD 3.37Å
592	R	60.5	Low	67.5	Low	220 Å²	220	81 Å²	81	83%	0.83	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-67.4	137.7	157.7	-69.5	-178.4	178.6	170	0.2	107.5	V590 T594	V590-R592 PolarHBondContact O-N 3.04Å; R592-T594 PolarHBondContact O-N 3.04Å
593	S	53.8	Low	66.1	Low	130 Å²	130	85.7 Å²	85.7	91%	0.909	48%	0.477	S	S	*	.			trans	-74.1	73.4	-176.4	58.2	0	0	0	0	112
594	T	52.3	Low	64.5	Low	86 Å²	86	86.6 Å²	86.6	53%	0.528	48%	0.479	S	S	.	.			trans	-91.2	113.3	164.9	50.1	0	0	0	0	108.2	R592	R592-T594 PolarHBondContact O-N 3.04Å
595	E	57.4	Low	62.2	Low	119 Å²	119	93 Å²	93	56%	0.556	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-61.6	142.1	162.7	-65	-155.6	113.7	0	0	108.8	R273 E597	R273-E595 IonicContact CZ-OE1 3.96Å; R273-E595 IonicContact NE-OE1 2.7Å; R273-E595 PolarHBondContact NE-OE1 3.41Å; R273-E595 IonicContact NH2-OE1 3.72Å; R273-E595 PolarHBondContact NH2-OE1 3.21Å; E595-E597 PolarHBondContact O-N 2.74Å
596	P	56.3	Low	61.1	Low	39 Å²	39	97 Å²	97	25%	0.253	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-63.6	123.7	178.8	26.1	-33.7	0	0	0	109.5	T176 V598	T176-P596 HydrophobicContact CG2-CG 3.62Å; P596-V598 PolarHBondContact O-N 3.43Å
597	E	57.1	Low	60	Low	149 Å²	149	98.7 Å²	98.7	70%	0.696	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-56.8	128.1	170.8	-87.5	-164.3	-143.1	0	0	109.3	E595 P599 R603	E595-E597 PolarHBondContact O-N 2.74Å; E597-P599 VanDerWaalsContact O-CD 3.27Å; E597-P599 WeakPolarHBondContact O-CD 3.49Å; E597-P599 VanDerWaalsContact O-N 3.08Å; E597-R603 IonicContact OE2-CZ 2.63Å; E597-R603 IonicContact OE2-NH1 3.73Å; E597-R603 IonicContact OE2-NH2 2.81Å; E597-R603 PolarHBondContact OE2-NH2 2.97Å
598	V	59.5	Low	58.8	Low	31 Å²	31	98.1 Å²	98.1	19%	0.188	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-54.7	118.5	172	175.5	0	0	0	0	107.5	I178 I241 P596 F602 R603	I178-V598 HydrophobicContact CD1-CG2 4.28Å; I241-V598 HydrophobicContact CD1-CG2 4.29Å; P596-V598 PolarHBondContact O-N 3.43Å; V598-F602 HydrophobicContact CG1-CB 3.84Å; V598-R603 PolarHBondContact O-NE 3.49Å; V598-R603 PolarHBondContact O-NH2 3.15Å
599	P	59.3	Low	57.6	Low	53 Å²	53	98 Å²	98	34%	0.344	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-58.1	144.9	-172	-25.1	31.7	0	0	0	111.1	E597 A601 F602	E597-P599 VanDerWaalsContact O-CD 3.27Å; E597-P599 WeakPolarHBondContact O-CD 3.49Å; E597-P599 VanDerWaalsContact O-N 3.08Å; P599-A601 PolarHBondContact O-N 3.13Å; P599-F602 HydrophobicContact CB-CD2 3.82Å; P599-F602 HydrophobicContact CB-CE2 4.09Å; P599-F602 HydrophobicContact CG-CD2 3.99Å; P599-F602 HydrophobicContact CG-CE2 4.1Å; P599-F602 PolarHBondContact O-N 2.96Å
600	P	57.4	Low	56.6	Low	103 Å²	103	102.8 Å²	102.8	67%	0.669	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-58.2	-26.4	-170.3	20.3	-32.4	0	0	0	113.6	F602 R603	P600-F602 PolarHBondContact O-N 3.29Å; P600-F602 VanDerWaalsContact O-N 3.1Å; P600-R603 PolarHBondContact O-N 2.97Å
601	A	55.8	Low	55.4	Low	67 Å²	67	103.6 Å²	103.6	55%	0.554	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-68.4	-0.5	174.1	0	0	0	0	0	115.7	P599	P599-A601 PolarHBondContact O-N 3.13Å
602	F	54.7	Low	54.7	Low	43 Å²	43	107.4 Å²	107.4	19%	0.189	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-127	8.9	174.9	-50.8	-76.2	0	0	0	113.2	M180 L269 V598 P599 P600	M180-F602 HydrophobicContact CE-CE1 4.16Å; M180-F602 HydrophobicContact SD-CE1 3.59Å; M180-F602 VanDerWaalsContact SD-CE1 3.59Å; M180-F602 HydrophobicContact SD-CZ 3.54Å; M180-F602 VanDerWaalsContact SD-CZ 3.54Å; L269-F602 HydrophobicContact CD1-CB 4.05Å; L269-F602 HydrophobicContact CD1-CD1 4.16Å; L269-F602 HydrophobicContact CD1-CG 4.38Å; L269-F602 HydrophobicContact CD2-CD1 3.79Å; L269-F602 HydrophobicContact CD2-CE1 3.98Å; L269-F602 HydrophobicContact CD2-CG 4.5Å; V598-F602 HydrophobicContact CG1-CB 3.84Å; P599-F602 HydrophobicContact CB-CD2 3.82Å; P599-F602 HydrophobicContact CB-CE2 4.09Å; P599-F602 HydrophobicContact CG-CD2 3.99Å; P599-F602 HydrophobicContact CG-CE2 4.1Å; P599-F602 PolarHBondContact O-N 2.96Å; P600-F602 PolarHBondContact O-N 3.29Å; P600-F602 VanDerWaalsContact O-N 3.1Å
603	R	55.2	Low	54.3	Low	120 Å²	120	98.8 Å²	98.8	45%	0.453	55%	0.552	S	S	.	*	S	Bend	trans	-82.2	140.9	162.4	-61	178.6	-163.9	-173.7	3.4	106.7	E597 V598 P600	E597-R603 IonicContact OE2-CZ 2.63Å; E597-R603 IonicContact OE2-NH1 3.73Å; E597-R603 IonicContact OE2-NH2 2.81Å; E597-R603 PolarHBondContact OE2-NH2 2.97Å; V598-R603 PolarHBondContact O-NE 3.49Å; V598-R603 PolarHBondContact O-NH2 3.15Å; P600-R603 PolarHBondContact O-N 2.97Å
604	D	49.9	Very low	54.3	Low	104 Å²	104	96.2 Å²	96.2	56%	0.556	52%	0.522	S	S	*	.			trans	-71.3	133.6	169.1	-65.2	-50	0	0	0	108.2
605	D	37	Very low	54.5	Low	240 Å²	240	97.1 Å²	97.1	100%	1.283	52%	0.522	S	S	*	.			trans	-83.6	0	170.9	-72.4	-51	0	0	0	110.4

Retrieved 605 of 605 residues in 223.9 ms (Link to these results)

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