A0A5K4FB25_SCHMA Loading...

Neur_chan_LBD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 683 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	41.7	Very low	57.9	Low	216 Å²	216	130.5 Å²	130.5	100%	1.064	64%	0.643	S	S	*	*				0	-60.6	0	-70.3	179.7	-178.9	0	0	111.6	L3 N4 F5	M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.38Å; M1-L3 VanDerWaalsContact O-N 3.11Å; M1-N4 PolarHBondContact O-N 2.93Å; M1-F5 PolarHBondContact O-N 3.4Å; M1-F5 VanDerWaalsContact O-N 3.16Å
2	S	43.8	Very low	58.1	Low	88 Å²	88	125.3 Å²	125.3	62%	0.615	62%	0.619	S	S	*	*	H	α-helix	trans	-42.8	-45.5	179.2	49.3	0	0	0	0	115.6	N4 F5 N6	S2-N4 VanDerWaalsContact C-N 3.35Å; S2-N4 PolarHBondContact O-N 3.4Å; S2-F5 WeakPolarHBondContact O-CB 3.2Å; S2-F5 PolarHBondContact O-N 3.46Å; S2-F5 VanDerWaalsContact O-N 3.09Å; S2-N6 PolarHBondContact O-N 2.56Å
3	L	50	Low	58.7	Low	131 Å²	131	121.7 Å²	121.7	69%	0.686	60%	0.603	S	S	*	*	H	α-helix	trans	-59.3	-37.4	176.1	-90.3	161.3	0	0	0	114.4	M1 R7	M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.38Å; M1-L3 VanDerWaalsContact O-N 3.11Å; L3-R7 WeakPolarHBondContact O-CB 3.44Å; L3-R7 PolarHBondContact O-N 3.29Å; L3-R7 VanDerWaalsContact O-N 3.11Å
4	N	63.1	Low	58.7	Low	116 Å²	116	118 Å²	118	62%	0.62	59%	0.59	S	S	*	*	H	α-helix	trans	-73.2	-34.5	173.7	-80.5	8	0	0	0	111.5	M1 S2 R7 L8	M1-N4 PolarHBondContact O-N 2.93Å; S2-N4 VanDerWaalsContact C-N 3.35Å; S2-N4 PolarHBondContact O-N 3.4Å; N4-R7 PolarHBondContact O-N 3.11Å; N4-L8 WeakPolarHBondContact O-CB 3.41Å; N4-L8 PolarHBondContact O-N 3.42Å
5	F	61.4	Low	58.5	Low	143 Å²	143	115.3 Å²	115.3	63%	0.627	59%	0.586	S	S	*	*	H	α-helix	trans	-62.9	-49.1	175.4	-167.8	-91.9	0	0	0	110.6	M1 S2 R7 L8 F9	M1-F5 PolarHBondContact O-N 3.4Å; M1-F5 VanDerWaalsContact O-N 3.16Å; S2-F5 WeakPolarHBondContact O-CB 3.2Å; S2-F5 PolarHBondContact O-N 3.46Å; S2-F5 VanDerWaalsContact O-N 3.09Å; F5-R7 VanDerWaalsContact C-N 3.29Å; F5-R7 PolarHBondContact O-N 3.37Å; F5-L8 PolarHBondContact O-N 2.95Å; F5-F9 VanDerWaalsContact O-CB 3.26Å; F5-F9 WeakPolarHBondContact O-CB 3.37Å; F5-F9 PolarHBondContact O-N 3.24Å
6	N	58.2	Low	58.1	Low	96 Å²	96	119.6 Å²	119.6	51%	0.513	59%	0.593	S	S	.	*	H	α-helix	trans	-61	-36.1	174.9	-73.7	14	0	0	0	112.5	S2 L10	S2-N6 PolarHBondContact O-N 2.56Å; N6-L10 WeakPolarHBondContact O-CB 3.23Å; N6-L10 WeakPolarHBondContact O-CG 3.36Å; N6-L10 PolarHBondContact O-N 2.93Å
7	R	58.9	Low	57.5	Low	185 Å²	185	124.1 Å²	124.1	70%	0.698	60%	0.601	S	S	*	*	H	α-helix	trans	-68	-43.6	177.1	-164.8	178.5	-172.5	-167.8	2.1	112.2	L3 N4 F5 Q11	L3-R7 WeakPolarHBondContact O-CB 3.44Å; L3-R7 PolarHBondContact O-N 3.29Å; L3-R7 VanDerWaalsContact O-N 3.11Å; N4-R7 PolarHBondContact O-N 3.11Å; F5-R7 VanDerWaalsContact C-N 3.29Å; F5-R7 PolarHBondContact O-N 3.37Å; R7-Q11 VanDerWaalsContact O-CB 3.28Å; R7-Q11 WeakPolarHBondContact O-CB 3.46Å; R7-Q11 PolarHBondContact O-N 2.94Å
8	L	66.2	Low	56.7	Low	118 Å²	118	125.8 Å²	125.8	62%	0.618	61%	0.608	S	S	*	*	H	α-helix	trans	-65	-42.6	174.1	-88.8	155.4	0	0	0	111.9	N4 F5 Q11 D12	N4-L8 WeakPolarHBondContact O-CB 3.41Å; N4-L8 PolarHBondContact O-N 3.42Å; F5-L8 PolarHBondContact O-N 2.95Å; L8-Q11 PolarHBondContact O-N 3.45Å; L8-D12 WeakPolarHBondContact O-CB 3.18Å; L8-D12 PolarHBondContact O-N 2.88Å
9	F	67.5	Low	55.5	Low	118 Å²	118	123.9 Å²	123.9	52%	0.518	61%	0.609	S	S	.	*	H	α-helix	trans	-64.9	-43.8	179	-169	-108.9	0	0	0	112.1	F5 D12 I13	F5-F9 VanDerWaalsContact O-CB 3.26Å; F5-F9 WeakPolarHBondContact O-CB 3.37Å; F5-F9 PolarHBondContact O-N 3.24Å; F9-D12 PolarHBondContact O-N 2.88Å; F9-I13 HydrophobicContact CD1-CD1 3.71Å; F9-I13 HydrophobicContact CE1-CD1 3.52Å; F9-I13 HydrophobicContact CG-CD1 4.39Å; F9-I13 HydrophobicContact CZ-CD1 4.05Å; F9-I13 WeakPolarHBondContact O-CB 3.47Å; F9-I13 VanDerWaalsContact O-CG1 3.29Å; F9-I13 WeakPolarHBondContact O-CG1 3.35Å; F9-I13 PolarHBondContact O-N 3.41Å
10	L	62	Low	54.2	Low	108 Å²	108	122.6 Å²	122.6	57%	0.565	61%	0.61	S	S	*	*	H	α-helix	trans	-64.5	-38.4	172.2	-76.7	167.7	0	0	0	112.2	N6 I13 V14	N6-L10 WeakPolarHBondContact O-CB 3.23Å; N6-L10 WeakPolarHBondContact O-CG 3.36Å; N6-L10 PolarHBondContact O-N 2.93Å; L10-I13 PolarHBondContact O-N 3.37Å; L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 2.87Å
11	Q	64	Low	53.2	Low	117 Å²	117	124.9 Å²	124.9	55%	0.547	62%	0.619	S	S	.	*	H	α-helix	trans	-67.6	-40	178.2	-171.8	168.3	-3.2	0	0	112	R7 L8 V14 C15	R7-Q11 VanDerWaalsContact O-CB 3.28Å; R7-Q11 WeakPolarHBondContact O-CB 3.46Å; R7-Q11 PolarHBondContact O-N 2.94Å; L8-Q11 PolarHBondContact O-N 3.45Å; Q11-V14 PolarHBondContact O-N 3.15Å; Q11-C15 WeakPolarHBondContact O-CB 3.31Å; Q11-C15 PolarHBondContact O-N 3.2Å; Q11-C15 PolarHBondContact O-SG 3.38Å
12	D	61.2	Low	52.6	Low	67 Å²	67	119.4 Å²	119.4	36%	0.358	60%	0.602	S	S	.	*	H	α-helix	trans	-65.3	-41.7	173.6	-170.7	23.9	0	0	0	111.5	L8 F9 V14 C15 R16	L8-D12 WeakPolarHBondContact O-CB 3.18Å; L8-D12 PolarHBondContact O-N 2.88Å; F9-D12 PolarHBondContact O-N 2.88Å; D12-V14 PolarHBondContact O-N 2.84Å; D12-C15 PolarHBondContact O-N 2.86Å; D12-R16 VanDerWaalsContact CG-NE 3.28Å; D12-R16 WeakPolarHBondContact O-CB 3.28Å; D12-R16 VanDerWaalsContact O-CG 3.23Å; D12-R16 WeakPolarHBondContact O-CG 3.47Å; D12-R16 PolarHBondContact O-N 3.49Å; D12-R16 IonicContact OD1-CZ 3.76Å; D12-R16 IonicContact OD1-NE 3.84Å; D12-R16 PolarHBondContact OD1-NE 3.36Å; D12-R16 IonicContact OD1-NH2 2.73Å; D12-R16 IonicContact OD2-CZ 3.69Å; D12-R16 IonicContact OD2-NE 2.65Å; D12-R16 PolarHBondContact OD2-NE 3.44Å; D12-R16 IonicContact OD2-NH2 3.56Å; D12-R16 PolarHBondContact OD2-NH2 3.38Å
13	I	65.2	Low	52.1	Low	79 Å²	79	121.1 Å²	121.1	41%	0.405	60%	0.603	S	S	.	*	H	α-helix	trans	-60.5	-41.3	173.7	-72.9	168	0	0	0	112.2	F9 L10 R17	F9-I13 HydrophobicContact CD1-CD1 3.71Å; F9-I13 HydrophobicContact CE1-CD1 3.52Å; F9-I13 HydrophobicContact CG-CD1 4.39Å; F9-I13 HydrophobicContact CZ-CD1 4.05Å; F9-I13 WeakPolarHBondContact O-CB 3.47Å; F9-I13 VanDerWaalsContact O-CG1 3.29Å; F9-I13 WeakPolarHBondContact O-CG1 3.35Å; F9-I13 PolarHBondContact O-N 3.41Å; L10-I13 PolarHBondContact O-N 3.37Å; I13-R17 WeakPolarHBondContact O-CB 3.47Å; I13-R17 PolarHBondContact O-N 3.12Å
14	V	59.2	Low	51.1	Low	70 Å²	70	121.2 Å²	121.2	42%	0.424	61%	0.605	S	S	.	*	H	α-helix	trans	-68	-50.5	176.7	171	0	0	0	0	110.6	L10 Q11 D12 R16 R17 E18	L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 2.87Å; Q11-V14 PolarHBondContact O-N 3.15Å; D12-V14 PolarHBondContact O-N 2.84Å; V14-R16 VanDerWaalsContact C-N 3.28Å; V14-R16 PolarHBondContact O-N 3.37Å; V14-R17 PolarHBondContact O-N 3.33Å; V14-E18 HydrophobicContact CG1-CG 4.36Å; V14-E18 PolarHBondContact O-N 3.05Å
15	C	55.6	Low	49.6	Very low	78 Å²	78	123.2 Å²	123.2	53%	0.527	61%	0.614	S	S	.	*	H	α-helix	trans	-58.3	-37.8	178.9	-68.6	0	0	0	0	112.8	Q11 D12 R17	Q11-C15 WeakPolarHBondContact O-CB 3.31Å; Q11-C15 PolarHBondContact O-N 3.2Å; Q11-C15 PolarHBondContact O-SG 3.38Å; D12-C15 PolarHBondContact O-N 2.86Å; C15-R17 VanDerWaalsContact C-N 3.29Å; C15-R17 PolarHBondContact O-N 3.38Å
16	R	51.6	Low	48	Very low	184 Å²	184	123.8 Å²	123.8	69%	0.694	62%	0.624	S	S	*	*	H	α-helix	trans	-70.4	-21.5	175.3	-70.8	177.1	-165.8	-147.6	12.9	113.7	D12 V14	D12-R16 VanDerWaalsContact CG-NE 3.28Å; D12-R16 WeakPolarHBondContact O-CB 3.28Å; D12-R16 VanDerWaalsContact O-CG 3.23Å; D12-R16 WeakPolarHBondContact O-CG 3.47Å; D12-R16 PolarHBondContact O-N 3.49Å; D12-R16 IonicContact OD1-CZ 3.76Å; D12-R16 IonicContact OD1-NE 3.84Å; D12-R16 PolarHBondContact OD1-NE 3.36Å; D12-R16 IonicContact OD1-NH2 2.73Å; D12-R16 IonicContact OD2-CZ 3.69Å; D12-R16 IonicContact OD2-NE 2.65Å; D12-R16 PolarHBondContact OD2-NE 3.44Å; D12-R16 IonicContact OD2-NH2 3.56Å; D12-R16 PolarHBondContact OD2-NH2 3.38Å; V14-R16 VanDerWaalsContact C-N 3.28Å; V14-R16 PolarHBondContact O-N 3.37Å
17	R	48	Very low	46.8	Very low	196 Å²	196	128.4 Å²	128.4	74%	0.74	64%	0.643	S	S	*	*	H	α-helix	trans	-96	-19.6	-178.1	-164.3	173.4	-173.6	-176	3.2	113.7	I13 V14 C15	I13-R17 WeakPolarHBondContact O-CB 3.47Å; I13-R17 PolarHBondContact O-N 3.12Å; V14-R17 PolarHBondContact O-N 3.33Å; C15-R17 VanDerWaalsContact C-N 3.29Å; C15-R17 PolarHBondContact O-N 3.38Å
18	E	42.8	Very low	45.5	Very low	154 Å²	154	128.7 Å²	128.7	72%	0.72	65%	0.652	S	S	*	*	S	Bend	trans	-94.6	1.5	177.3	-66.3	179.6	165.3	0	0	113.2	V14	V14-E18 HydrophobicContact CG1-CG 4.36Å; V14-E18 PolarHBondContact O-N 3.05Å
19	S	34	Very low	43.8	Very low	91 Å²	91	129.5 Å²	129.5	64%	0.636	66%	0.657	S	S	*	*	S	Bend	trans	-71.5	126.4	168.6	-168.9	0	0	0	0	110.5
20	P	30.4	Very low	42.1	Very low	97 Å²	97	130.3 Å²	130.3	63%	0.63	67%	0.671	S	S	*	*			trans	-84.5	128.8	-159.9	30.8	-35.7	0	0	0	114.7
21	H	33	Very low	40.5	Very low	170 Å²	170	134.2 Å²	134.2	79%	0.787	68%	0.684	S	S	*	*			trans	-111.6	57.4	146.8	-107.8	-50	0	0	0	109.7	L23	H21-L23 PolarHBondContact O-N 3.27Å; H21-L23 VanDerWaalsContact O-N 3.1Å
22	S	28.7	Very low	38.8	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	69%	0.692	S	S	*	*			trans	-78.3	74.5	164.3	52.8	0	0	0	0	109.3	D24	S22-D24 PolarHBondContact O-N 3.21Å
23	L	33.6	Very low	37.2	Very low	123 Å²	123	141.1 Å²	141.1	64%	0.644	71%	0.714	S	S	*	*			trans	-82.7	104	175.8	-84	167.2	0	0	0	111	H21	H21-L23 PolarHBondContact O-N 3.27Å; H21-L23 VanDerWaalsContact O-N 3.1Å
24	D	28.9	Very low	35.6	Very low	134 Å²	134	145.1 Å²	145.1	72%	0.717	73%	0.731	S	S	*	*	S	Bend	trans	57.9	61.8	131.8	-50.3	-13.1	0	0	0	118.2	S22	S22-D24 PolarHBondContact O-N 3.21Å
25	L	30.9	Very low	34.2	Very low	157 Å²	157	150.9 Å²	150.9	82%	0.822	75%	0.753	S	S	*	*	S	Bend	trans	-147.2	88.6	151.6	-74	-178	0	0	0	110.8
26	N	29	Very low	32.8	Very low	156 Å²	156	153 Å²	153	83%	0.834	77%	0.769	S	S	*	*	S	Bend	trans	163.6	-11.5	136.7	-87.9	4.1	0	0	0	117.9	E28	N26-E28 VanDerWaalsContact C-N 3.33Å; N26-E28 PolarHBondContact O-N 3.12Å
27	E	33.4	Very low	31.8	Very low	193 Å²	193	151.8 Å²	151.8	90%	0.902	77%	0.771	S	S	*	*			trans	-76.5	-6.9	-169.2	-76.6	-167.3	133.9	0	0	116.6	N29	E27-N29 PolarHBondContact O-N 2.77Å
28	E	30.2	Very low	31	Very low	190 Å²	190	151.9 Å²	151.9	89%	0.888	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	22.5	-173.7	-153	177.6	-152.9	0	0	115.4	N26	N26-E28 VanDerWaalsContact C-N 3.33Å; N26-E28 PolarHBondContact O-N 3.12Å
29	N	30.9	Very low	30.7	Very low	136 Å²	136	149.9 Å²	149.9	73%	0.727	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.7	4.7	-174.3	-95.8	-91	0	0	0	116.3	E27	E27-N29 PolarHBondContact O-N 2.77Å
30	V	30.8	Very low	30.8	Very low	134 Å²	134	153.5 Å²	153.5	81%	0.812	78%	0.783	S	S	*	*	S	Bend	trans	-132.2	54.6	-178.5	-160	0	0	0	0	113.3
31	K	29.9	Very low	30.9	Very low	190 Å²	190	152 Å²	152	83%	0.826	79%	0.785	S	S	*	*			trans	-146.6	64.9	154.5	-124.4	-173	-179.7	-150.9	0	113.1
32	I	27.4	Very low	31.2	Very low	143 Å²	143	150.2 Å²	150.2	73%	0.733	78%	0.781	S	S	*	*			trans	-74.3	129.9	168.1	-70.1	171.9	0	0	0	108.9
33	K	27.3	Very low	31.6	Very low	187 Å²	187	152 Å²	152	81%	0.813	78%	0.782	S	S	*	*			trans	62.1	96.9	172.9	-62.3	163.2	-175.4	178.1	0	116
34	E	31.9	Very low	31.9	Very low	162 Å²	162	152.2 Å²	152.2	76%	0.757	78%	0.784	S	S	*	*			trans	-160	147.8	135.9	-108.9	148.4	-161.5	0	0	108.9
35	E	30.5	Very low	32.6	Very low	192 Å²	192	152.3 Å²	152.3	90%	0.897	79%	0.785	S	S	*	*			trans	56.9	84.6	163.2	-63.9	172.3	175.1	0	0	118
36	S	25.9	Very low	33.2	Very low	121 Å²	121	152.2 Å²	152.2	85%	0.846	79%	0.785	S	S	*	*			trans	-128.7	67.3	162.1	66.2	0	0	0	0	110.6
37	E	31.6	Very low	34	Very low	160 Å²	160	151.6 Å²	151.6	75%	0.748	78%	0.782	S	S	*	*			trans	-157.9	149.6	-177.7	-132.4	173.7	-161.6	0	0	112.4
38	Y	31	Very low	34.6	Very low	198 Å²	198	149.9 Å²	149.9	78%	0.776	78%	0.779	S	S	*	*			trans	60.4	108.2	172.8	-60.6	-78.4	0	0	0	120.9
39	S	35.9	Very low	35	Very low	111 Å²	111	144 Å²	144	78%	0.776	77%	0.769	S	S	*	*				-153	143.8	118.3	-158.7	0	0	0	0	110.4
40	E	35.2	Very low	35.4	Very low	168 Å²	168	141.4 Å²	141.4	79%	0.785	77%	0.774	S	S	*	*			trans	-56.9	158.9	175.7	-60.6	106.8	140.3	0	0	113
41	G	33.9	Very low	35.8	Very low	65 Å²	65	142.9 Å²	142.9	67%	0.67	78%	0.777	S	S	*	*			cis	102.4	145.8	45.3	0	0	0	0	0	109.1
42	D	37.6	Very low	36.6	Very low	133 Å²	133	141.8 Å²	141.8	71%	0.711	78%	0.781	S	S	*	*			cis	-155.4	171.4	3.8	-68.1	-44.3	0	0	0	109.5
43	N	38.2	Very low	37.2	Very low	138 Å²	138	142 Å²	142	74%	0.738	78%	0.783	S	S	*	*			trans	71.7	156.8	162.3	-35.5	-57	0	0	0	118.2
44	D	38.9	Very low	37.9	Very low	129 Å²	129	140.8 Å²	140.8	69%	0.69	79%	0.786	S	S	*	*			cis	-168.7	170	-29.8	-95.2	-23.5	0	0	0	109.5
45	D	43.9	Very low	38.3	Very low	136 Å²	136	140.4 Å²	140.4	73%	0.727	79%	0.789	S	S	*	*			trans	70	132.3	154.7	-59.2	-21.1	0	0	0	123.6
46	D	43.8	Very low	38.9	Very low	155 Å²	155	140.1 Å²	140.1	83%	0.829	79%	0.788	S	S	*	*			trans	59.1	158.4	145.7	-57.4	-10.6	0	0	0	123.7
47	D	46	Very low	39.8	Very low	142 Å²	142	140.9 Å²	140.9	76%	0.759	78%	0.782	S	S	*	*			cis	-171.5	160	-40.5	-166.1	15.2	0	0	0	108.6
48	D	45.1	Very low	40.1	Very low	158 Å²	158	140.1 Å²	140.1	85%	0.845	78%	0.783	S	S	*	*			trans	56.5	161.1	168.2	-123.6	6.7	0	0	0	117.7
49	G	39.1	Very low	40.6	Very low	66 Å²	66	139.4 Å²	139.4	68%	0.68	79%	0.787	S	S	*	*			cis	156.8	138.2	-7.8	0	0	0	0	0	112.4
50	G	39.6	Very low	40.8	Very low	81 Å²	81	138.3 Å²	138.3	84%	0.835	78%	0.779	S	S	*	*			trans	121.7	124.6	163.7	0	0	0	0	0	117.6
51	D	39.4	Very low	41.1	Very low	165 Å²	165	138 Å²	138	88%	0.882	78%	0.783	S	S	*	*			trans	-94.6	163.3	167.4	-50.1	-77.5	0	0	0	111.3
52	D	46.6	Very low	41.6	Very low	167 Å²	167	142.4 Å²	142.4	89%	0.893	79%	0.791	S	S	*	*			trans	-161.9	137.4	151.6	-120.8	-20.5	0	0	0	110.9
53	D	40.9	Very low	41.8	Very low	148 Å²	148	141 Å²	141	79%	0.791	78%	0.784	S	S	*	*			trans	-87.2	171.5	-179.2	-67.9	-59.3	0	0	0	112.9
54	N	41.9	Very low	41.8	Very low	162 Å²	162	140.5 Å²	140.5	87%	0.866	79%	0.79	S	S	*	*			trans	177.5	150.1	132.6	-96.6	-71.2	0	0	0	112.6
55	D	38.6	Very low	41.6	Very low	153 Å²	153	143.1 Å²	143.1	82%	0.818	79%	0.79	S	S	*	*			trans	-93.7	168.8	179.5	-59.1	-75.8	0	0	0	113.7
56	E	44.2	Very low	41.3	Very low	187 Å²	187	143.3 Å²	143.3	87%	0.874	79%	0.791	S	S	*	*				175.4	116.7	129.9	-96.9	177	-171.8	0	0	115.1
57	D	45	Very low	41	Very low	137 Å²	137	141.9 Å²	141.9	73%	0.733	78%	0.783	S	S	*	*			trans	43.3	115.1	138.7	-68.7	-30.9	0	0	0	127.7
58	N	37.1	Very low	40.7	Very low	144 Å²	144	142.7 Å²	142.7	77%	0.77	79%	0.787	S	S	*	*				44	129	113.7	-64.5	-62.2	0	0	0	125
59	E	41.8	Very low	40.3	Very low	183 Å²	183	141.2 Å²	141.2	86%	0.855	78%	0.78	S	S	*	*			trans	166.8	116.7	133.5	-94.8	-176.8	175.8	0	0	110
60	S	39.7	Very low	40.2	Very low	88 Å²	88	144.3 Å²	144.3	62%	0.615	78%	0.781	S	S	*	*				76.5	129.6	79.2	70.5	0	0	0	0	116.1
61	D	42.8	Very low	40.2	Very low	160 Å²	160	147.8 Å²	147.8	86%	0.856	78%	0.78	S	S	*	*			cis	-120.8	-122.4	-1.7	-68.7	-55.8	0	0	0	112.5
62	D	43.8	Very low	40.1	Very low	159 Å²	159	146.5 Å²	146.5	85%	0.85	77%	0.773	S	S	*	*			cis	-154	171.8	7.5	-172.7	14.7	0	0	0	110.2
63	D	40.5	Very low	39.5	Very low	103 Å²	103	146.2 Å²	146.2	55%	0.551	77%	0.772	S	S	*	*			trans	-80.8	154.8	-172.9	-108.4	-51.2	0	0	0	114.4	R65	D63-R65 IonicContact OD1-CZ 2.77Å; D63-R65 IonicContact OD1-NH1 3.64Å; D63-R65 PolarHBondContact OD1-NH1 3.3Å; D63-R65 IonicContact OD2-NH1 3.37Å
64	C	38.4	Very low	39.1	Very low	128 Å²	128	148.1 Å²	148.1	87%	0.865	78%	0.776	S	S	*	*				-162.8	164.2	70.3	-75	0	0	0	0	113.9
65	R	35.9	Very low	38.7	Very low	184 Å²	184	150.6 Å²	150.6	69%	0.694	78%	0.775	S	S	*	*			trans	-108.8	161.5	-169.7	-62.1	172.2	174.2	73.6	0.1	116.2	D63	D63-R65 IonicContact OD1-CZ 2.77Å; D63-R65 IonicContact OD1-NH1 3.64Å; D63-R65 PolarHBondContact OD1-NH1 3.3Å; D63-R65 IonicContact OD2-NH1 3.37Å
66	N	37.8	Very low	38.1	Very low	140 Å²	140	147.7 Å²	147.7	75%	0.749	77%	0.766	S	S	*	*			trans	145.9	121.1	133.1	-80	25.8	0	0	0	109.8
67	D	37.3	Very low	37.4	Very low	124 Å²	124	145.9 Å²	145.9	66%	0.663	76%	0.762	S	S	*	*			cis	98.8	108.6	41.3	-70.8	-2.2	0	0	0	111.6
68	N	38.1	Very low	36.7	Very low	159 Å²	159	149.9 Å²	149.9	85%	0.85	77%	0.769	S	S	*	*			trans	168.5	83.9	146.2	-87.1	-39.4	0	0	0	111.7
69	D	38.1	Very low	36.5	Very low	127 Å²	127	149 Å²	149	68%	0.679	77%	0.768	S	S	*	*				44.9	127.2	116	-68.5	28.3	0	0	0	122.7
70	N	37.5	Very low	35.9	Very low	132 Å²	132	147 Å²	147	71%	0.706	76%	0.764	S	S	*	*			trans	64.4	135.7	140.3	-43.3	-23.1	0	0	0	118.4
71	D	39.2	Very low	35.5	Very low	154 Å²	154	151.4 Å²	151.4	82%	0.824	78%	0.775	S	S	*	*				-152.3	161.1	52.4	-80.7	-39.2	0	0	0	113.7
72	D	35.8	Very low	34.8	Very low	138 Å²	138	150 Å²	150	74%	0.738	77%	0.767	S	S	*	*			trans	-62.6	164.7	-167.4	-51	-45.9	0	0	0	120.6
73	D	35	Very low	34.1	Very low	160 Å²	160	153.6 Å²	153.6	86%	0.856	77%	0.77	S	S	*	*			trans	60.9	158.6	149.4	-68.4	-22	0	0	0	119.9
74	E	33.3	Very low	33.6	Very low	188 Å²	188	157.6 Å²	157.6	88%	0.879	78%	0.783	S	S	*	*			cis	-142.7	154.1	22.5	-175.1	178.8	-155	0	0	111.7
75	Y	32.2	Very low	33.3	Very low	215 Å²	215	157.3 Å²	157.3	84%	0.843	78%	0.777	S	S	*	*			trans	-110	134.2	-172.5	-153	-94.1	0	0	0	113.9
76	S	27.4	Very low	33.1	Very low	91 Å²	91	156.1 Å²	156.1	64%	0.636	78%	0.783	S	S	*	*			trans	63.6	122.9	164.4	70	0	0	0	0	120.1
77	N	29.2	Very low	32.7	Very low	149 Å²	149	155.1 Å²	155.1	80%	0.797	78%	0.778	S	S	*	*			trans	-165.4	178.2	132.9	-112.2	-65.7	0	0	0	111.6
78	Y	30.2	Very low	32.6	Very low	222 Å²	222	153.3 Å²	153.3	87%	0.871	77%	0.773	S	S	*	*			trans	74	60.9	178.8	-60.8	-76.3	0	0	0	117.4
79	T	33.5	Very low	32.7	Very low	124 Å²	124	151.9 Å²	151.9	76%	0.761	76%	0.764	S	S	*	*			trans	-69	153.3	141.8	50.1	0	0	0	0	110.7
80	N	27.5	Very low	32.7	Very low	141 Å²	141	151.9 Å²	151.9	75%	0.754	76%	0.758	S	S	*	*			trans	53.6	87.4	165.5	-74.3	-25.3	0	0	0	119
81	E	31.3	Very low	33	Very low	181 Å²	181	148.9 Å²	148.9	85%	0.846	75%	0.747	S	S	*	*			trans	-160.9	102.9	131.1	-121.1	-178	-143.7	0	0	112.9
82	N	29.7	Very low	33.3	Very low	130 Å²	130	149.1 Å²	149.1	70%	0.695	74%	0.741	S	S	*	*			trans	156.2	67.6	143.9	-89	-72.5	0	0	0	114.6	K84	N82-K84 PolarHBondContact O-N 3.04Å
83	Y	28.2	Very low	34.1	Very low	235 Å²	235	147.4 Å²	147.4	92%	0.922	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	69.2	156.7	-92.5	-90.8	0	0	0	110.6
84	K	30.6	Very low	35.2	Very low	188 Å²	188	147.6 Å²	147.6	82%	0.817	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.2	11.8	-179.4	-128.5	166.1	-172.6	171.1	0	120.5	N82	N82-K84 PolarHBondContact O-N 3.04Å
85	T	31.6	Very low	36.8	Very low	122 Å²	122	141.2 Å²	141.2	75%	0.748	69%	0.694	S	S	*	*			trans	-126	24.2	-178.2	-30.1	0	0	0	0	115.1
86	I	31	Very low	38.5	Very low	158 Å²	158	137.8 Å²	137.8	81%	0.81	69%	0.686	S	S	*	*			trans	-102.8	87	169.4	-54.5	176.3	0	0	0	109
87	N	30.8	Very low	40.5	Very low	120 Å²	120	138.5 Å²	138.5	64%	0.642	68%	0.679	S	S	*	*			trans	167.8	81.2	154.4	-90.4	-31.9	0	0	0	112.4
88	P	33.6	Very low	42.6	Very low	86 Å²	86	137 Å²	137	56%	0.558	67%	0.671	S	S	*	*	S	Bend	trans	-128.8	-15	140.5	2.8	18.7	0	0	0	114.6	S91	P88-S91 PolarHBondContact O-OG 3.32Å; P88-S91 VanDerWaalsContact O-OG 3.05Å
89	I	40.8	Very low	44.7	Very low	128 Å²	128	135.2 Å²	135.2	66%	0.656	66%	0.662	S	S	*	*	H	α-helix	trans	-81.9	-53.3	-173.9	-61.7	176.4	0	0	0	110.2	S91 K92 E93	I89-S91 PolarHBondContact O-N 3.15Å; I89-S91 VanDerWaalsContact O-N 3.12Å; I89-K92 WeakPolarHBondContact O-CB 3.42Å; I89-K92 PolarHBondContact O-N 2.93Å; I89-E93 PolarHBondContact O-N 2.98Å
90	K	39.1	Very low	46.8	Very low	128 Å²	128	133.3 Å²	133.3	56%	0.557	65%	0.647	S	S	*	*	H	α-helix	trans	-54.8	-32.1	174.9	-76.5	-171.5	172.4	-176.1	0	113.2	K92 E93 Y94	K90-K92 PolarHBondContact O-N 3.4Å; K90-E93 PolarHBondContact O-N 3.46Å; K90-Y94 WeakPolarHBondContact O-CB 3.29Å; K90-Y94 WeakPolarHBondContact O-CD2 3.38Å; K90-Y94 PolarHBondContact O-N 2.96Å
91	S	43.4	Very low	49.3	Very low	69 Å²	69	131 Å²	131	48%	0.483	63%	0.633	S	S	.	*	H	α-helix	trans	-70.7	-26.8	178.1	66.4	0	0	0	0	113.6	P88 I89 S95	P88-S91 PolarHBondContact O-OG 3.32Å; P88-S91 VanDerWaalsContact O-OG 3.05Å; I89-S91 PolarHBondContact O-N 3.15Å; I89-S91 VanDerWaalsContact O-N 3.12Å; S91-S95 WeakPolarHBondContact O-CB 3.3Å; S91-S95 PolarHBondContact O-N 2.85Å
92	K	45.7	Very low	51.5	Low	158 Å²	158	125.8 Å²	125.8	69%	0.687	61%	0.614	S	S	*	*	H	α-helix	trans	-70.5	-42.2	170	-80.9	-174.4	174.2	179.6	0	111.7	I89 K90 S95 Q96	I89-K92 WeakPolarHBondContact O-CB 3.42Å; I89-K92 PolarHBondContact O-N 2.93Å; K90-K92 PolarHBondContact O-N 3.4Å; K92-S95 WeakPolarHBondContact O-CB 3.43Å; K92-S95 PolarHBondContact O-N 3.02Å; K92-Q96 WeakPolarHBondContact O-CG 3.35Å; K92-Q96 PolarHBondContact O-N 3.13Å
93	E	53.3	Low	53.9	Low	103 Å²	103	122.1 Å²	122.1	48%	0.481	60%	0.602	S	S	.	*	H	α-helix	trans	-64.6	-48.7	178.2	-64.1	172.4	137.4	0	0	111	I89 K90 S95 Q96 Q97	I89-E93 PolarHBondContact O-N 2.98Å; K90-E93 PolarHBondContact O-N 3.46Å; E93-S95 VanDerWaalsContact C-N 3.3Å; E93-S95 PolarHBondContact O-N 3.39Å; E93-Q96 PolarHBondContact O-N 3.07Å; E93-Q96 VanDerWaalsContact O-N 3.11Å; E93-Q97 WeakPolarHBondContact O-CG 3.48Å; E93-Q97 PolarHBondContact O-N 3.05Å
94	Y	56.5	Low	56.4	Low	164 Å²	164	115.7 Å²	115.7	64%	0.643	58%	0.583	S	S	*	*	H	α-helix	trans	-58.8	-38.1	171.9	-92.3	-94.5	0	0	0	112.4	K90 Q97 L98	K90-Y94 WeakPolarHBondContact O-CB 3.29Å; K90-Y94 WeakPolarHBondContact O-CD2 3.38Å; K90-Y94 PolarHBondContact O-N 2.96Å; Y94-Q97 PolarHBondContact O-N 3.26Å; Y94-L98 VanDerWaalsContact O-CB 3.27Å; Y94-L98 WeakPolarHBondContact O-CB 3.23Å; Y94-L98 PolarHBondContact O-N 2.86Å
95	S	67.7	Low	58.7	Low	53 Å²	53	111.1 Å²	111.1	37%	0.371	57%	0.568	S	S	.	*	H	α-helix	trans	-65.2	-37.2	174.9	-168.7	0	0	0	0	112.6	S91 K92 E93 R99	S91-S95 WeakPolarHBondContact O-CB 3.3Å; S91-S95 PolarHBondContact O-N 2.85Å; K92-S95 WeakPolarHBondContact O-CB 3.43Å; K92-S95 PolarHBondContact O-N 3.02Å; E93-S95 VanDerWaalsContact C-N 3.3Å; E93-S95 PolarHBondContact O-N 3.39Å; S95-R99 WeakPolarHBondContact O-CB 3.48Å; S95-R99 WeakPolarHBondContact O-CD 3.4Å; S95-R99 WeakPolarHBondContact O-CG 3.37Å; S95-R99 PolarHBondContact O-N 3Å; S95-R99 VanDerWaalsContact O-N 3.1Å
96	Q	67.1	Low	61.1	Low	144 Å²	144	110 Å²	110	67%	0.673	56%	0.557	S	S	*	*	H	α-helix	trans	-70.9	-43.3	174.6	-72.3	-175.2	2.9	0	0	112	K92 E93 R99 L100	K92-Q96 WeakPolarHBondContact O-CG 3.35Å; K92-Q96 PolarHBondContact O-N 3.13Å; E93-Q96 PolarHBondContact O-N 3.07Å; E93-Q96 VanDerWaalsContact O-N 3.11Å; Q96-R99 PolarHBondContact O-N 3.42Å; Q96-L100 WeakPolarHBondContact O-CB 3.39Å; Q96-L100 PolarHBondContact O-N 3.18Å
97	Q	70.4	Confident	63.4	Low	106 Å²	106	107.6 Å²	107.6	50%	0.495	55%	0.545	S	S	.	.	H	α-helix	trans	-59.8	-46.5	174.2	-72.8	178.8	-11.5	0	0	111.5	E93 Y94 R99 L100 I101	E93-Q97 WeakPolarHBondContact O-CG 3.48Å; E93-Q97 PolarHBondContact O-N 3.05Å; Y94-Q97 PolarHBondContact O-N 3.26Å; Q97-R99 VanDerWaalsContact C-N 3.33Å; Q97-R99 PolarHBondContact O-N 3.03Å; Q97-L100 WeakPolarHBondContact O-CB 3.08Å; Q97-L100 PolarHBondContact O-N 2.96Å; Q97-L100 VanDerWaalsContact O-N 3.14Å; Q97-I101 WeakPolarHBondContact O-CB 3.34Å; Q97-I101 VanDerWaalsContact O-CG1 3.3Å; Q97-I101 WeakPolarHBondContact O-CG1 3.33Å; Q97-I101 PolarHBondContact O-N 3.35Å
98	L	72.8	Confident	65.8	Low	117 Å²	117	110 Å²	110	61%	0.613	55%	0.545	S	S	*	.	H	α-helix	trans	-63.7	-38.2	178.7	-166.7	71.6	0	0	0	111.9	Y94 T102	Y94-L98 VanDerWaalsContact O-CB 3.27Å; Y94-L98 WeakPolarHBondContact O-CB 3.23Å; Y94-L98 PolarHBondContact O-N 2.86Å; L98-T102 VanDerWaalsContact O-CB 3.32Å; L98-T102 WeakPolarHBondContact O-CB 3.26Å; L98-T102 PolarHBondContact O-N 2.92Å; L98-T102 PolarHBondContact O-OG1 2.92Å
99	R	75.2	Confident	68	Low	184 Å²	184	110.3 Å²	110.3	69%	0.694	54%	0.542	S	S	*	.	H	α-helix	trans	-64.6	-41.4	172.1	-74.7	171.1	-175.2	-149.2	-0.5	112	S95 Q96 Q97 T102 A103	S95-R99 WeakPolarHBondContact O-CB 3.48Å; S95-R99 WeakPolarHBondContact O-CD 3.4Å; S95-R99 WeakPolarHBondContact O-CG 3.37Å; S95-R99 PolarHBondContact O-N 3Å; S95-R99 VanDerWaalsContact O-N 3.1Å; Q96-R99 PolarHBondContact O-N 3.42Å; Q97-R99 VanDerWaalsContact C-N 3.33Å; Q97-R99 PolarHBondContact O-N 3.03Å; R99-T102 PolarHBondContact O-N 3.3Å; R99-A103 WeakPolarHBondContact O-CB 3.4Å; R99-A103 PolarHBondContact O-N 3.29Å
100	L	76.1	Confident	69.9	Low	85 Å²	85	107.8 Å²	107.8	45%	0.445	53%	0.533	S	S	.	.	H	α-helix	trans	-65.5	-45	177.4	-175.3	66.8	0	0	0	111.6	Q96 Q97 T102 A103 L104	Q96-L100 WeakPolarHBondContact O-CB 3.39Å; Q96-L100 PolarHBondContact O-N 3.18Å; Q97-L100 WeakPolarHBondContact O-CB 3.08Å; Q97-L100 PolarHBondContact O-N 2.96Å; Q97-L100 VanDerWaalsContact O-N 3.14Å; L100-T102 VanDerWaalsContact C-N 3.34Å; L100-T102 PolarHBondContact O-N 3.35Å; L100-A103 PolarHBondContact O-N 2.92Å; L100-L104 HydrophobicContact CG-CD1 4.2Å; L100-L104 WeakPolarHBondContact O-CB 3.4Å; L100-L104 WeakPolarHBondContact O-CG 3.31Å; L100-L104 PolarHBondContact O-N 2.71Å
101	I	80	Confident	72	Confident	91 Å²	91	105.4 Å²	105.4	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-62.1	-42.7	175.4	-68.2	163.7	0	0	0	110.4	Q97 A103 L104 N105	Q97-I101 WeakPolarHBondContact O-CB 3.34Å; Q97-I101 VanDerWaalsContact O-CG1 3.3Å; Q97-I101 WeakPolarHBondContact O-CG1 3.33Å; Q97-I101 PolarHBondContact O-N 3.35Å; I101-A103 PolarHBondContact O-N 3.46Å; I101-L104 PolarHBondContact O-N 3.12Å; I101-N105 WeakPolarHBondContact O-CB 3.26Å; I101-N105 PolarHBondContact O-N 2.94Å; I101-N105 PolarHBondContact O-ND2 3.37Å
102	T	78.1	Confident	73.7	Confident	72 Å²	72	106.5 Å²	106.5	44%	0.442	53%	0.529	S	S	.	.	H	α-helix	trans	-63.8	-40.8	175.5	-56.9	0	0	0	0	111.7	L98 R99 L100 N106	L98-T102 VanDerWaalsContact O-CB 3.32Å; L98-T102 WeakPolarHBondContact O-CB 3.26Å; L98-T102 PolarHBondContact O-N 2.92Å; L98-T102 PolarHBondContact O-OG1 2.92Å; R99-T102 PolarHBondContact O-N 3.3Å; L100-T102 VanDerWaalsContact C-N 3.34Å; L100-T102 PolarHBondContact O-N 3.35Å; T102-N106 WeakPolarHBondContact O-CB 3.34Å; T102-N106 PolarHBondContact O-N 3.32Å; T102-N106 PolarHBondContact O-ND2 3.44Å
103	A	79	Confident	75.3	Confident	54 Å²	54	105.4 Å²	105.4	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-65.7	-42	175.5	0	0	0	0	0	112.3	R99 L100 I101 N106 L107	R99-A103 WeakPolarHBondContact O-CB 3.4Å; R99-A103 PolarHBondContact O-N 3.29Å; L100-A103 PolarHBondContact O-N 2.92Å; I101-A103 PolarHBondContact O-N 3.46Å; A103-N106 PolarHBondContact O-N 2.92Å; A103-L107 WeakPolarHBondContact O-CB 3.34Å; A103-L107 PolarHBondContact O-N 3.07Å
104	L	81.5	Confident	76.5	Confident	99 Å²	99	106.2 Å²	106.2	52%	0.518	53%	0.528	S	S	.	.	H	α-helix	trans	-64.1	-43	175.2	-78.3	166.4	0	0	0	112.1	L100 I101 L107 R108	L100-L104 HydrophobicContact CG-CD1 4.2Å; L100-L104 WeakPolarHBondContact O-CB 3.4Å; L100-L104 WeakPolarHBondContact O-CG 3.31Å; L100-L104 PolarHBondContact O-N 2.71Å; I101-L104 PolarHBondContact O-N 3.12Å; L104-L107 PolarHBondContact O-N 2.94Å; L104-R108 WeakPolarHBondContact O-CB 3.43Å; L104-R108 PolarHBondContact O-N 3.48Å
105	N	78.9	Confident	77.5	Confident	92 Å²	92	100.8 Å²	100.8	49%	0.492	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-41	175.8	-77	-25.6	0	0	0	111.9	I101 R108 L109	I101-N105 WeakPolarHBondContact O-CB 3.26Å; I101-N105 PolarHBondContact O-N 2.94Å; I101-N105 PolarHBondContact O-ND2 3.37Å; N105-R108 PolarHBondContact O-N 2.89Å; N105-L109 VanDerWaalsContact O-CB 3.31Å; N105-L109 WeakPolarHBondContact O-CB 3.26Å; N105-L109 PolarHBondContact O-N 2.89Å
106	N	81.1	Confident	78	Confident	99 Å²	99	105.4 Å²	105.4	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-63.4	-42.9	172.7	-78.6	-34.2	0	0	0	112	T102 A103 L109 V110	T102-N106 WeakPolarHBondContact O-CB 3.34Å; T102-N106 PolarHBondContact O-N 3.32Å; T102-N106 PolarHBondContact O-ND2 3.44Å; A103-N106 PolarHBondContact O-N 2.92Å; N106-L109 PolarHBondContact O-N 3.27Å; N106-V110 WeakPolarHBondContact O-CG2 3.18Å; N106-V110 PolarHBondContact O-N 3.43Å
107	L	79.5	Confident	78.3	Confident	107 Å²	107	103.9 Å²	103.9	56%	0.56	53%	0.526	S	S	*	.	H	α-helix	trans	-62.6	-46	176.8	-168	76.9	0	0	0	111.1	A103 L104 L109 V110 V111	A103-L107 WeakPolarHBondContact O-CB 3.34Å; A103-L107 PolarHBondContact O-N 3.07Å; L104-L107 PolarHBondContact O-N 2.94Å; L107-L109 PolarHBondContact O-N 2.86Å; L107-V110 PolarHBondContact O-N 3.4Å; L107-V111 WeakPolarHBondContact O-CG2 3.24Å; L107-V111 PolarHBondContact O-N 3.22Å
108	R	82.9	Confident	78.4	Confident	170 Å²	170	104.4 Å²	104.4	64%	0.642	53%	0.529	S	S	*	.	H	α-helix	trans	-57.1	-47.3	174.5	-179.2	178.5	178.1	173.4	2.6	111.3	L104 N105 V110 V111 D112	L104-R108 WeakPolarHBondContact O-CB 3.43Å; L104-R108 PolarHBondContact O-N 3.48Å; N105-R108 PolarHBondContact O-N 2.89Å; R108-V110 VanDerWaalsContact C-N 3.28Å; R108-V110 PolarHBondContact O-N 3.49Å; R108-V111 PolarHBondContact O-N 3.31Å; R108-V111 VanDerWaalsContact O-N 3.13Å; R108-D112 IonicContact NE-OD2 2.79Å; R108-D112 WeakPolarHBondContact O-CB 3.14Å; R108-D112 PolarHBondContact O-N 2.83Å
109	L	79.4	Confident	78.5	Confident	93 Å²	93	101.7 Å²	101.7	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-66.7	-28.6	179.8	-165.8	146	0	0	0	112.6	N105 N106 L107 K113	N105-L109 VanDerWaalsContact O-CB 3.31Å; N105-L109 WeakPolarHBondContact O-CB 3.26Å; N105-L109 PolarHBondContact O-N 2.89Å; N106-L109 PolarHBondContact O-N 3.27Å; L107-L109 PolarHBondContact O-N 2.86Å; L109-K113 HydrophobicContact CD2-CD 3.95Å; L109-K113 VanDerWaalsContact CD2-CE 3.47Å; L109-K113 VanDerWaalsContact CD2-NZ 3.33Å; L109-K113 WeakPolarHBondContact O-CB 3.35Å; L109-K113 VanDerWaalsContact O-CG 3.24Å; L109-K113 WeakPolarHBondContact O-CG 3.29Å; L109-K113 PolarHBondContact O-N 3.36Å; L109-K113 VanDerWaalsContact O-N 3.16Å
110	V	80.6	Confident	78.4	Confident	76 Å²	76	98 Å²	98	46%	0.461	51%	0.513	S	S	.	.	H	α-helix	trans	-73.2	-42.1	169.3	169.9	0	0	0	0	111.8	N106 L107 R108 K113 Q114	N106-V110 WeakPolarHBondContact O-CG2 3.18Å; N106-V110 PolarHBondContact O-N 3.43Å; L107-V110 PolarHBondContact O-N 3.4Å; R108-V110 VanDerWaalsContact C-N 3.28Å; R108-V110 PolarHBondContact O-N 3.49Å; V110-K113 WeakPolarHBondContact O-CB 3.48Å; V110-K113 PolarHBondContact O-N 2.82Å; V110-Q114 WeakPolarHBondContact O-CG 3.4Å; V110-Q114 PolarHBondContact O-N 3.18Å
111	V	82.2	Confident	78.2	Confident	78 Å²	78	99.5 Å²	99.5	47%	0.473	52%	0.521	S	S	.	.	H	α-helix	trans	-64.1	-44	176.4	169.4	0	0	0	0	111.1	L107 R108 K113 Q114 A115	L107-V111 WeakPolarHBondContact O-CG2 3.24Å; L107-V111 PolarHBondContact O-N 3.22Å; R108-V111 PolarHBondContact O-N 3.31Å; R108-V111 VanDerWaalsContact O-N 3.13Å; V111-K113 VanDerWaalsContact C-N 3.35Å; V111-K113 PolarHBondContact O-N 3.45Å; V111-Q114 CarbonylContact O-C 3.6Å; V111-Q114 PolarHBondContact O-N 3.38Å; V111-Q114 VanDerWaalsContact O-N 3.16Å; V111-A115 WeakPolarHBondContact O-CB 3.29Å; V111-A115 PolarHBondContact O-N 2.82Å
112	D	80.2	Confident	77.6	Confident	91 Å²	91	100.1 Å²	100.1	49%	0.487	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-38.5	176.2	-72.2	-28.3	0	0	0	111.3	R108 A115 K116	R108-D112 IonicContact NE-OD2 2.79Å; R108-D112 WeakPolarHBondContact O-CB 3.14Å; R108-D112 PolarHBondContact O-N 2.83Å; D112-A115 PolarHBondContact O-N 2.92Å; D112-K116 WeakPolarHBondContact O-CB 3.37Å; D112-K116 PolarHBondContact O-N 2.99Å
113	K	79.5	Confident	77.1	Confident	136 Å²	136	102 Å²	102	59%	0.591	53%	0.532	S	S	*	.	H	α-helix	trans	-61	-44.2	170.1	-81.5	172.4	177.8	171.9	0	112	L109 V110 V111 L117	L109-K113 HydrophobicContact CD2-CD 3.95Å; L109-K113 VanDerWaalsContact CD2-CE 3.47Å; L109-K113 VanDerWaalsContact CD2-NZ 3.33Å; L109-K113 WeakPolarHBondContact O-CB 3.35Å; L109-K113 VanDerWaalsContact O-CG 3.24Å; L109-K113 WeakPolarHBondContact O-CG 3.29Å; L109-K113 PolarHBondContact O-N 3.36Å; L109-K113 VanDerWaalsContact O-N 3.16Å; V110-K113 WeakPolarHBondContact O-CB 3.48Å; V110-K113 PolarHBondContact O-N 2.82Å; V111-K113 VanDerWaalsContact C-N 3.35Å; V111-K113 PolarHBondContact O-N 3.45Å; K113-L117 WeakPolarHBondContact O-CB 3.25Å; K113-L117 PolarHBondContact O-N 2.83Å
114	Q	77.2	Confident	75.7	Confident	120 Å²	120	104.8 Å²	104.8	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-67.9	-40.6	177.3	-76.9	-171.4	-16.7	0	0	112.7	V110 V111 L117 Q118	V110-Q114 WeakPolarHBondContact O-CG 3.4Å; V110-Q114 PolarHBondContact O-N 3.18Å; V111-Q114 CarbonylContact O-C 3.6Å; V111-Q114 PolarHBondContact O-N 3.38Å; V111-Q114 VanDerWaalsContact O-N 3.16Å; Q114-L117 WeakPolarHBondContact O-CB 3.31Å; Q114-L117 PolarHBondContact O-N 2.68Å; Q114-Q118 WeakPolarHBondContact O-CG 3.22Å; Q114-Q118 PolarHBondContact O-N 3.02Å
115	A	78.1	Confident	74.3	Confident	50 Å²	50	108.9 Å²	108.9	41%	0.413	55%	0.546	S	S	.	.	H	α-helix	trans	-62.5	-42.6	176.2	0	0	0	0	0	111.3	V111 D112 Q118 S119	V111-A115 WeakPolarHBondContact O-CB 3.29Å; V111-A115 PolarHBondContact O-N 2.82Å; D112-A115 PolarHBondContact O-N 2.92Å; A115-Q118 PolarHBondContact O-N 2.82Å; A115-S119 PolarHBondContact O-N 3.4Å
116	K	77.8	Confident	73.1	Confident	150 Å²	150	112.7 Å²	112.7	65%	0.652	56%	0.56	S	S	*	*	H	α-helix	trans	-67.8	-33.8	175.2	-157.4	166	-170.7	171.1	0	112.5	D112 S119 L120	D112-K116 WeakPolarHBondContact O-CB 3.37Å; D112-K116 PolarHBondContact O-N 2.99Å; K116-S119 PolarHBondContact O-OG 2.68Å; K116-L120 WeakPolarHBondContact O-CB 3.47Å; K116-L120 VanDerWaalsContact O-CG 3.28Å; K116-L120 WeakPolarHBondContact O-CG 3.49Å; K116-L120 PolarHBondContact O-N 2.93Å; K116-L120 VanDerWaalsContact O-N 3.12Å
117	L	74	Confident	71.2	Confident	112 Å²	112	116.1 Å²	116.1	59%	0.586	57%	0.57	S	S	*	*	H	α-helix	trans	-65.5	-41.1	170	-112.3	161.4	0	0	0	112.1	K113 Q114 L120 L121	K113-L117 WeakPolarHBondContact O-CB 3.25Å; K113-L117 PolarHBondContact O-N 2.83Å; Q114-L117 WeakPolarHBondContact O-CB 3.31Å; Q114-L117 PolarHBondContact O-N 2.68Å; L117-L120 PolarHBondContact O-N 3.36Å; L117-L121 WeakPolarHBondContact O-CB 3.46Å; L117-L121 PolarHBondContact O-N 3.39Å
118	Q	73.1	Confident	69.4	Low	117 Å²	117	117.3 Å²	117.3	55%	0.547	58%	0.577	S	S	.	*	H	α-helix	trans	-68.9	-36.8	176	-75.3	-173.1	-5	0	0	112.8	Q114 A115 L121 N122	Q114-Q118 WeakPolarHBondContact O-CG 3.22Å; Q114-Q118 PolarHBondContact O-N 3.02Å; A115-Q118 PolarHBondContact O-N 2.82Å; Q118-L121 PolarHBondContact O-N 2.84Å; Q118-N122 WeakPolarHBondContact O-CB 3.49Å; Q118-N122 PolarHBondContact O-N 2.91Å; Q118-N122 PolarHBondContact O-ND2 3.27Å
119	S	75	Confident	67.1	Low	60 Å²	60	117.2 Å²	117.2	42%	0.42	58%	0.582	S	S	.	*	H	α-helix	trans	-63.9	-45.1	174	67.7	0	0	0	0	111.1	A115 K116 L121 N122 D123	A115-S119 PolarHBondContact O-N 3.4Å; K116-S119 PolarHBondContact O-OG 2.68Å; S119-L121 VanDerWaalsContact C-N 3.34Å; S119-L121 PolarHBondContact O-N 3.01Å; S119-N122 PolarHBondContact O-N 2.84Å; S119-D123 PolarHBondContact O-N 2.74Å
120	L	71.8	Confident	65.1	Low	105 Å²	105	119.9 Å²	119.9	55%	0.55	60%	0.595	S	S	.	*	H	α-helix	trans	-63.4	-37.3	175.1	-70.4	170.5	0	0	0	112.5	K116 L117 Y124	K116-L120 WeakPolarHBondContact O-CB 3.47Å; K116-L120 VanDerWaalsContact O-CG 3.28Å; K116-L120 WeakPolarHBondContact O-CG 3.49Å; K116-L120 PolarHBondContact O-N 2.93Å; K116-L120 VanDerWaalsContact O-N 3.12Å; L117-L120 PolarHBondContact O-N 3.36Å; L120-Y124 WeakPolarHBondContact O-CB 3.24Å; L120-Y124 PolarHBondContact O-N 2.77Å
121	L	71.8	Confident	63.3	Low	117 Å²	117	123.1 Å²	123.1	61%	0.613	61%	0.605	S	S	*	*	H	α-helix	trans	-67.5	-38.8	176.2	-169.5	71.6	0	0	0	112.1	L117 Q118 S119 Y124 K125	L117-L121 WeakPolarHBondContact O-CB 3.46Å; L117-L121 PolarHBondContact O-N 3.39Å; Q118-L121 PolarHBondContact O-N 2.84Å; S119-L121 VanDerWaalsContact C-N 3.34Å; S119-L121 PolarHBondContact O-N 3.01Å; L121-Y124 PolarHBondContact O-N 3Å; L121-K125 WeakPolarHBondContact O-CB 3.17Å; L121-K125 PolarHBondContact O-N 3.26Å
122	N	67.9	Low	61.6	Low	104 Å²	104	124.3 Å²	124.3	56%	0.556	61%	0.609	S	S	*	*	H	α-helix	trans	-68.9	-41.2	176.1	-74.9	-20.2	0	0	0	111.8	Q118 S119 Y124 K125 H126	Q118-N122 WeakPolarHBondContact O-CB 3.49Å; Q118-N122 PolarHBondContact O-N 2.91Å; Q118-N122 PolarHBondContact O-ND2 3.27Å; S119-N122 PolarHBondContact O-N 2.84Å; N122-Y124 VanDerWaalsContact C-N 3.33Å; N122-Y124 PolarHBondContact O-N 2.87Å; N122-K125 PolarHBondContact O-N 3.34Å; N122-H126 PolarHBondContact O-N 3.42Å
123	D	67.4	Low	60.1	Low	111 Å²	111	125.2 Å²	125.2	59%	0.594	62%	0.622	S	S	*	*	H	α-helix	trans	-59.8	-42.7	171.8	-89	0.3	0	0	0	111.6	S119 K125 H126 K127	S119-D123 PolarHBondContact O-N 2.74Å; D123-K125 VanDerWaalsContact C-N 3.31Å; D123-K125 PolarHBondContact O-N 2.93Å; D123-H126 PolarHBondContact O-N 3.18Å; D123-H126 VanDerWaalsContact O-N 3.15Å; D123-K127 PolarHBondContact O-N 2.8Å
124	Y	50.7	Low	58.8	Low	114 Å²	114	126.6 Å²	126.6	45%	0.447	63%	0.628	S	S	.	*	H	α-helix	trans	-63.4	-38.3	176	-141.5	-79.7	0	0	0	111.6	L120 L121 N122 H126 K127 D132 L135	L120-Y124 WeakPolarHBondContact O-CB 3.24Å; L120-Y124 PolarHBondContact O-N 2.77Å; L121-Y124 PolarHBondContact O-N 3Å; N122-Y124 VanDerWaalsContact C-N 3.33Å; N122-Y124 PolarHBondContact O-N 2.87Å; Y124-H126 PolarHBondContact O-N 3.41Å; Y124-K127 PolarHBondContact O-N 3.35Å; Y124-D132 PolarHBondContact OH-OD1 2.9Å; Y124-L135 HydrophobicContact CE2-CD1 4.15Å
125	K	52.1	Low	57.4	Low	185 Å²	185	124.7 Å²	124.7	80%	0.804	62%	0.621	S	S	*	*	H	α-helix	trans	-67.4	-13.5	177.2	-158.1	176.4	-176.9	-176.7	0	113.5	L121 N122 D123	L121-K125 WeakPolarHBondContact O-CB 3.17Å; L121-K125 PolarHBondContact O-N 3.26Å; N122-K125 PolarHBondContact O-N 3.34Å; D123-K125 VanDerWaalsContact C-N 3.31Å; D123-K125 PolarHBondContact O-N 2.93Å
126	H	52.3	Low	55.7	Low	171 Å²	171	127.8 Å²	127.8	79%	0.792	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	0.6	176.6	-147.1	-50.8	0	0	0	113.8	N122 D123 Y124	N122-H126 PolarHBondContact O-N 3.42Å; D123-H126 PolarHBondContact O-N 3.18Å; D123-H126 VanDerWaalsContact O-N 3.15Å; Y124-H126 PolarHBondContact O-N 3.41Å
127	K	42.5	Very low	54.2	Low	171 Å²	171	123.8 Å²	123.8	74%	0.743	62%	0.621	S	S	*	*	S	Bend	trans	-120.7	89.6	176.9	-79.7	179.6	176.2	168.9	0	111.5	D123 Y124 K129	D123-K127 PolarHBondContact O-N 2.8Å; Y124-K127 PolarHBondContact O-N 3.35Å; K127-K129 PolarHBondContact O-N 3.04Å
128	D	40.4	Very low	52.9	Low	132 Å²	132	125.7 Å²	125.7	71%	0.706	63%	0.625	S	S	*	*			trans	-67	115.9	177.9	-131.6	-47.6	0	0	0	111.7
129	K	35.5	Very low	51.4	Low	169 Å²	169	125.5 Å²	125.5	74%	0.735	63%	0.627	S	S	*	*	S	Bend	trans	68	153.2	158.5	-63.6	163.9	-176.6	109.6	0	119	K127	K127-K129 PolarHBondContact O-N 3.04Å
130	I	37.9	Very low	50	Low	148 Å²	148	128.7 Å²	128.7	76%	0.759	64%	0.639	S	S	*	*	S	Bend	trans	79.2	74.9	171	-43.2	171.3	0	0	0	115.4
131	Q	41.8	Very low	48.8	Very low	145 Å²	145	128.9 Å²	128.9	68%	0.678	65%	0.645	S	S	*	*			trans	168.3	53.4	130.6	-91.5	174.2	16.7	0	0	114.4	S133	Q131-S133 VanDerWaalsContact C-N 3.3Å; Q131-S133 PolarHBondContact O-N 3.38Å; Q131-S133 VanDerWaalsContact O-N 3.13Å
132	D	46	Very low	47.2	Very low	103 Å²	103	129.1 Å²	129.1	55%	0.551	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-9.1	-166.8	-55.8	-77	0	0	0	116.6	Y124	Y124-D132 PolarHBondContact OH-OD1 2.9Å
133	S	49.7	Very low	45.6	Very low	110 Å²	110	132.3 Å²	132.3	77%	0.769	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-26.1	-177.7	61.8	0	0	0	0	115.4	Q131	Q131-S133 VanDerWaalsContact C-N 3.3Å; Q131-S133 PolarHBondContact O-N 3.38Å; Q131-S133 VanDerWaalsContact O-N 3.13Å
134	K	52.8	Low	43.8	Very low	164 Å²	164	135.9 Å²	135.9	71%	0.713	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-10.3	-175	-103.6	-178.6	178.2	176.8	0	115	S137	K134-S137 PolarHBondContact O-OG 2.72Å
135	L	46.2	Very low	42.7	Very low	80 Å²	80	140 Å²	140	42%	0.419	69%	0.688	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94	-30.5	-177.3	-102.3	158	0	0	0	113.7	Y124 S137 K138 L139	Y124-L135 HydrophobicContact CE2-CD1 4.15Å; L135-S137 VanDerWaalsContact C-N 3.29Å; L135-S137 PolarHBondContact O-N 2.77Å; L135-K138 PolarHBondContact O-N 3.12Å; L135-K138 VanDerWaalsContact O-N 3.09Å; L135-L139 PolarHBondContact O-N 3.46Å
136	L	43.4	Very low	41.5	Very low	115 Å²	115	139.2 Å²	139.2	60%	0.602	69%	0.693	S	S	*	*	H	α-helix	trans	-60	-37	174.9	-80	168	0	0	0	112.7	K138 L139 L140	L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 3.45Å; L136-L139 PolarHBondContact O-N 2.95Å; L136-L140 PolarHBondContact O-N 3.47Å; L136-L140 VanDerWaalsContact O-N 3.09Å
137	S	44.9	Very low	40.5	Very low	67 Å²	67	137.3 Å²	137.3	47%	0.469	68%	0.684	S	S	.	*	H	α-helix	trans	-64.3	-34.4	175	59	0	0	0	0	112.8	K134 L135 T141	K134-S137 PolarHBondContact O-OG 2.72Å; L135-S137 VanDerWaalsContact C-N 3.29Å; L135-S137 PolarHBondContact O-N 2.77Å; S137-T141 PolarHBondContact O-N 2.86Å; S137-T141 PolarHBondContact O-OG1 3.21Å
138	K	48.4	Very low	39.7	Very low	151 Å²	151	135 Å²	135	66%	0.657	69%	0.685	S	S	*	*	H	α-helix	trans	-75.4	-26	174.5	-73.9	-168.6	171.8	-171.4	0	113.8	L135 L136 T141 V142	L135-K138 PolarHBondContact O-N 3.12Å; L135-K138 VanDerWaalsContact O-N 3.09Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 3.45Å; K138-T141 PolarHBondContact O-OG1 3.44Å; K138-V142 WeakPolarHBondContact O-CG2 3.43Å
139	L	40.9	Very low	39.2	Very low	113 Å²	113	135.1 Å²	135.1	59%	0.592	69%	0.685	S	S	*	*	H	α-helix	trans	-76.9	-31.1	174.7	-81.8	161.7	0	0	0	112.5	L135 L136	L135-L139 PolarHBondContact O-N 3.46Å; L136-L139 PolarHBondContact O-N 2.95Å
140	L	46.2	Very low	38.8	Very low	128 Å²	128	133.8 Å²	133.8	67%	0.67	69%	0.686	S	S	*	*	H	α-helix	trans	-71.9	-36.5	175.4	-82.2	162.2	0	0	0	113	L136 V142	L136-L140 PolarHBondContact O-N 3.47Å; L136-L140 VanDerWaalsContact O-N 3.09Å; L140-V142 PolarHBondContact O-N 3.41Å; L140-V142 VanDerWaalsContact O-N 3.15Å
141	T	45.7	Very low	38.5	Very low	109 Å²	109	133.5 Å²	133.5	67%	0.669	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	11.9	-177.3	49.7	0	0	0	0	115.6	S137 K138	S137-T141 PolarHBondContact O-N 2.86Å; S137-T141 PolarHBondContact O-OG1 3.21Å; K138-T141 PolarHBondContact O-OG1 3.44Å
142	V	38.8	Very low	38	Very low	121 Å²	121	132 Å²	132	73%	0.733	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-1.5	176.4	179.8	0	0	0	0	112	K138 L140	K138-V142 WeakPolarHBondContact O-CG2 3.43Å; L140-V142 PolarHBondContact O-N 3.41Å; L140-V142 VanDerWaalsContact O-N 3.15Å
143	K	33.4	Very low	37.3	Very low	171 Å²	171	134.6 Å²	134.6	74%	0.743	70%	0.7	S	S	*	*	S	Bend	trans	-79.3	143.9	157.3	-69.8	-178.3	177.2	-179.6	0	108.6
144	E	30.3	Very low	36.3	Very low	187 Å²	187	136.5 Å²	136.5	87%	0.874	70%	0.702	S	S	*	*			trans	64.8	81.6	-176.6	-55.7	-170.1	138	0	0	115.2
145	Y	27.5	Very low	35.3	Very low	199 Å²	199	137.1 Å²	137.1	78%	0.78	71%	0.708	S	S	*	*			trans	-136.8	81.3	151.7	-137.9	-106.2	0	0	0	109.3	H147	Y145-H147 HydrophobicContact CD1-CB 4.48Å; Y145-H147 AromaticContact CE1-CD2 3.79Å
146	N	26.3	Very low	34.5	Very low	170 Å²	170	139.1 Å²	139.1	91%	0.909	72%	0.723	S	S	*	*			trans	-81.1	114	164.9	-72.6	-19.6	0	0	0	106.9
147	H	31.7	Very low	33.9	Very low	130 Å²	130	138.1 Å²	138.1	60%	0.602	73%	0.726	S	S	*	*			trans	-120.5	116.6	172.6	-150.3	-64.2	0	0	0	109.7	Y145	Y145-H147 HydrophobicContact CD1-CB 4.48Å; Y145-H147 AromaticContact CE1-CD2 3.79Å
148	T	25.6	Very low	33.4	Very low	123 Å²	123	141.9 Å²	141.9	76%	0.755	74%	0.741	S	S	*	*			trans	-79.4	129.5	164.2	43.9	0	0	0	0	109.1
149	L	29.7	Very low	32.6	Very low	134 Å²	134	141.8 Å²	141.8	70%	0.702	75%	0.746	S	S	*	*			trans	-148.5	122.4	153.9	-118.1	80.6	0	0	0	101.8
150	D	27.4	Very low	32.2	Very low	141 Å²	141	143 Å²	143	75%	0.754	75%	0.753	S	S	*	*			cis	48.9	94.7	47.5	-70.4	-21.4	0	0	0	112.5
151	D	31.9	Very low	31.5	Very low	142 Å²	142	143.7 Å²	143.7	76%	0.759	76%	0.757	S	S	*	*				-161.2	143.1	126.7	-117.1	-33.6	0	0	0	113
152	T	31.4	Very low	31	Very low	114 Å²	114	144.2 Å²	144.2	70%	0.699	76%	0.762	S	S	*	*			trans	50.4	99.4	163.1	57.2	0	0	0	0	120
153	N	30.8	Very low	30.9	Very low	157 Å²	157	146.3 Å²	146.3	84%	0.84	77%	0.768	S	S	*	*				-166.2	153.2	95.6	-102	-46.7	0	0	0	113.3
154	N	28.9	Very low	30.8	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	77%	0.77	S	S	*	*			trans	-89.7	137.7	-166.3	-58.6	-67.6	0	0	0	113.4
155	Q	31.7	Very low	30.6	Very low	177 Å²	177	141.2 Å²	141.2	83%	0.827	76%	0.764	S	S	*	*				179.8	140.5	105.1	-95.6	175.7	5.2	0	0	114.5
156	T	29.9	Very low	30.9	Very low	122 Å²	122	137.8 Å²	137.8	75%	0.748	76%	0.764	S	S	*	*			trans	55.4	95.2	153.3	50.8	0	0	0	0	122
157	S	31.6	Very low	31.2	Very low	93 Å²	93	135.1 Å²	135.1	65%	0.65	75%	0.754	S	S	*	*				80.3	124.6	115.3	69.7	0	0	0	0	123.4
158	N	32.7	Very low	31.2	Very low	147 Å²	147	135.3 Å²	135.3	79%	0.786	77%	0.765	S	S	*	*			trans	73.9	136.1	148	-53.7	-15.8	0	0	0	117.7
159	L	32.8	Very low	31.7	Very low	148 Å²	148	134.5 Å²	134.5	78%	0.775	76%	0.761	S	S	*	*			cis	-147.5	179.3	1.2	-148.6	103.9	0	0	0	110.7
160	L	31.4	Very low	31.9	Very low	139 Å²	139	134.8 Å²	134.8	73%	0.728	77%	0.769	S	S	*	*			trans	-79.5	175.9	-173.6	-63.5	77.7	0	0	0	112.8
161	D	32.7	Very low	32.4	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	77%	0.769	S	S	*	*			cis	-149.7	151.8	27.4	-69.3	-70.8	0	0	0	114.2
162	P	34.5	Very low	32.4	Very low	119 Å²	119	133.5 Å²	133.5	77%	0.773	77%	0.768	S	S	*	*			trans	-133.2	142.9	172.2	39.5	-24.7	0	0	0	117.4
163	I	35.8	Very low	32.5	Very low	166 Å²	166	133.9 Å²	133.9	85%	0.851	77%	0.766	S	S	*	*			trans	-161.3	155.9	168.5	11.1	170.9	0	0	0	109.2
164	T	32.3	Very low	32.6	Very low	129 Å²	129	134.1 Å²	134.1	79%	0.791	76%	0.76	S	S	*	*			cis	-143.6	176.6	6.1	-34.7	0	0	0	0	110.3
165	T	26.9	Very low	32.8	Very low	122 Å²	122	133 Å²	133	75%	0.748	75%	0.754	S	S	*	*			trans	-128.8	149.2	-177.5	52.7	0	0	0	0	114.6
166	T	32.4	Very low	32.9	Very low	126 Å²	126	131.4 Å²	131.4	77%	0.773	75%	0.751	S	S	*	*			trans	-176.2	120.5	149	32.7	0	0	0	0	108.2
167	T	32.6	Very low	33	Very low	115 Å²	115	131.7 Å²	131.7	71%	0.706	75%	0.747	S	S	*	*				63.9	135.5	68.6	65.3	0	0	0	0	114
168	T	32.1	Very low	33.1	Very low	134 Å²	134	134.7 Å²	134.7	82%	0.822	75%	0.748	S	S	*	*			cis	-162.9	169.2	5.2	7.9	0	0	0	0	110.8
169	P	36.6	Very low	33	Very low	105 Å²	105	137.4 Å²	137.4	68%	0.682	75%	0.748	S	S	*	*			trans	-111	170.6	-171.2	41	-33.3	0	0	0	115.8
170	T	32.8	Very low	32.8	Very low	140 Å²	140	136.9 Å²	136.9	86%	0.859	75%	0.746	S	S	*	*				171.4	160.1	124.8	30.3	0	0	0	0	113.4
171	P	38.2	Very low	32.8	Very low	118 Å²	118	136.1 Å²	136.1	77%	0.766	75%	0.746	S	S	*	*			trans	-119.3	176	-173.5	43.1	-32.3	0	0	0	114.6
172	D	31.7	Very low	32.7	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	75%	0.749	S	S	*	*			trans	-164.3	153.8	145	-139.6	-8.5	0	0	0	114.7
173	N	33.7	Very low	32.4	Very low	122 Å²	122	138.1 Å²	138.1	65%	0.652	75%	0.745	S	S	*	*			trans	56.2	160.7	161	-66.8	-54.8	0	0	0	120.6
174	K	32.9	Very low	32.2	Very low	162 Å²	162	138.1 Å²	138.1	70%	0.704	75%	0.746	S	S	*	*			cis	-172	157	-43	-125.4	-175.9	173.8	-169.7	0	110.2
175	D	32.6	Very low	31.9	Very low	128 Å²	128	139.2 Å²	139.2	68%	0.684	75%	0.747	S	S	*	*			trans	66.4	160.5	153.4	-54.5	-24.4	0	0	0	121.9
176	D	34.4	Very low	32.2	Very low	144 Å²	144	143 Å²	143	77%	0.77	76%	0.757	S	S	*	*			trans	65.2	89.5	165.1	-67.5	-27.7	0	0	0	125.2
177	L	33	Very low	31.9	Very low	128 Å²	128	144.5 Å²	144.5	67%	0.67	76%	0.755	S	S	*	*				44.2	124.6	112.5	-92.6	65.7	0	0	0	122.9
178	K	33.5	Very low	31.8	Very low	155 Å²	155	148.8 Å²	148.8	67%	0.674	76%	0.763	S	S	*	*			trans	76.7	119.5	133.7	-71.4	172.1	-173.2	161.8	0	121.6
179	R	29.9	Very low	31.6	Very low	205 Å²	205	148.5 Å²	148.5	77%	0.774	76%	0.757	S	S	*	*			trans	79.6	133	130.7	-73.5	-176.4	-167.6	165.6	1.2	120.7
180	N	29.7	Very low	31.4	Very low	136 Å²	136	153 Å²	153	73%	0.727	77%	0.769	S	S	*	*			trans	68.3	114	141.8	-60.9	20.7	0	0	0	116
181	V	30.1	Very low	31.1	Very low	123 Å²	123	152 Å²	152	75%	0.745	76%	0.763	S	S	*	*				64.4	100	80.9	176.8	0	0	0	0	111.9
182	E	31.2	Very low	30.8	Very low	173 Å²	173	153.3 Å²	153.3	81%	0.808	77%	0.769	S	S	*	*				-153.5	175.4	125.1	-146.8	68.8	-95.8	0	0	107.4
183	L	27.6	Very low	30.3	Very low	132 Å²	132	151.7 Å²	151.7	69%	0.691	77%	0.768	S	S	*	*			trans	-90.8	162.2	174	-67.9	77.9	0	0	0	110.5
184	D	32.3	Very low	30.6	Very low	165 Å²	165	152 Å²	152	88%	0.882	78%	0.777	S	S	*	*				-164.2	152.3	115.4	-102.2	-28.4	0	0	0	112.4
185	N	25.4	Very low	30.3	Very low	152 Å²	152	150.4 Å²	150.4	81%	0.813	78%	0.781	S	S	*	*			trans	-105	138.3	170.4	-68.4	-67.3	0	0	0	109
186	E	33	Very low	30.2	Very low	203 Å²	203	148.5 Å²	148.5	95%	0.949	78%	0.777	S	S	*	*			trans	-145.9	160.7	145.6	-128.2	-173.1	164.9	0	0	112.2
187	Q	26.6	Very low	30.2	Very low	156 Å²	156	150.7 Å²	150.7	73%	0.729	78%	0.78	S	S	*	*			trans	-131.3	139.1	-154.8	173.8	-173.2	-13.9	0	0	110.8	D189	Q187-D189 PolarHBondContact NE2-OD2 3.19Å
188	K	31.3	Very low	29.9	Very low	205 Å²	205	150.2 Å²	150.2	89%	0.891	78%	0.783	S	S	*	*			trans	-158.7	124	155.6	-115.1	152	-168.4	161.2	0	113.3
189	D	26.3	Very low	30.1	Very low	128 Å²	128	151.1 Å²	151.1	68%	0.684	79%	0.793	S	S	*	*			trans	-76.7	149.6	167.5	-53.3	-93.5	0	0	0	110.8	Q187	Q187-D189 PolarHBondContact NE2-OD2 3.19Å
190	E	33	Very low	30.1	Very low	201 Å²	201	149.8 Å²	149.8	94%	0.939	80%	0.796	S	S	*	*			trans	-142.9	145.8	148.2	-156.2	160.3	-134.3	0	0	110.1
191	T	26.2	Very low	30.4	Very low	118 Å²	118	148.3 Å²	148.3	72%	0.724	80%	0.796	S	S	*	*			trans	-123.4	132	-161.2	-65.2	0	0	0	0	111.6
192	T	31.9	Very low	30.6	Very low	145 Å²	145	151.2 Å²	151.2	89%	0.89	80%	0.799	S	S	*	*			trans	-166.5	150.3	144.6	6.1	0	0	0	0	112.8
193	S	22.5	Very low	30.7	Very low	105 Å²	105	150.2 Å²	150.2	73%	0.734	80%	0.796	S	S	*	*			trans	-134.6	159.5	163.9	64.4	0	0	0	0	109.1
194	P	38.2	Very low	30.9	Very low	128 Å²	128	151.3 Å²	151.3	83%	0.831	80%	0.799	S	S	*	*			trans	-139.7	141.2	142.7	32.4	-16.8	0	0	0	115.5
195	T	28.2	Very low	30.8	Very low	128 Å²	128	147.9 Å²	147.9	79%	0.785	79%	0.787	S	S	*	*			trans	-57.9	148.4	172.8	-34.4	0	0	0	0	114.5
196	S	30.4	Very low	31.2	Very low	88 Å²	88	149.7 Å²	149.7	62%	0.615	79%	0.788	S	S	*	*				155.8	143.2	121.8	-74.3	0	0	0	0	117.7
197	K	34.3	Very low	31	Very low	191 Å²	191	145 Å²	145	83%	0.83	78%	0.777	S	S	*	*			trans	69.3	124.4	154.5	-63	150.3	-170.7	173.4	0	116.9
198	T	26.7	Very low	31.3	Very low	118 Å²	118	145.4 Å²	145.4	72%	0.724	78%	0.784	S	S	*	*			cis	101.3	109.9	33.4	-65	0	0	0	0	113.1
199	I	37.8	Very low	31.4	Very low	173 Å²	173	144.8 Å²	144.8	89%	0.887	78%	0.781	S	S	*	*			trans	-136.8	148.5	156.2	-64.7	-174.7	0	0	0	108.1
200	Q	29	Very low	31.5	Very low	177 Å²	177	148 Å²	148	83%	0.827	79%	0.789	S	S	*	*			trans	-127.8	145.6	-176.6	-67.3	-180	-17	0	0	113.2
201	S	35.5	Very low	31.5	Very low	105 Å²	105	147.1 Å²	147.1	73%	0.734	79%	0.785	S	S	*	*			trans	-151.8	118.7	152.4	51.6	0	0	0	0	107.8
202	K	35.1	Very low	31.6	Very low	184 Å²	184	147.6 Å²	147.6	80%	0.8	78%	0.783	S	S	*	*				50.2	130.5	92.5	-63	-179.8	-179.6	177.1	0	112.7
203	M	33.8	Very low	31.6	Very low	152 Å²	152	146.7 Å²	146.7	75%	0.749	78%	0.777	S	S	*	*			cis	-164	168.2	-0.5	-106.3	175	178.7	0	0	105.8
204	M	30.5	Very low	32.2	Very low	155 Å²	155	147.6 Å²	147.6	76%	0.764	78%	0.778	S	S	*	*			cis	-159.5	-171.6	10.8	-133.6	-175.8	-170.2	0	0	107.6
205	C	30.7	Very low	32	Very low	93 Å²	93	149.3 Å²	149.3	63%	0.628	78%	0.78	S	S	*	*			cis	-148.1	-95.7	2.7	-168	0	0	0	0	114.4
206	K	33.2	Very low	32.4	Very low	191 Å²	191	150.3 Å²	150.3	83%	0.83	78%	0.779	S	S	*	*			trans	-159	166.8	-164.7	-67.9	168.9	-176	173.7	0	107.2
207	S	30	Very low	32.8	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	79%	0.785	S	S	*	*			cis	170.3	126.3	-22.9	173.1	0	0	0	0	106.5
208	L	32.6	Very low	32.8	Very low	165 Å²	165	149.9 Å²	149.9	86%	0.864	78%	0.784	S	S	*	*			trans	-162	137.5	152.3	-111.7	154.2	0	0	0	113.9
209	K	33	Very low	33	Very low	191 Å²	191	148 Å²	148	83%	0.83	78%	0.776	S	S	*	*			trans	-28.8	146.2	-175.1	-66.6	168.7	177	178.4	0	120
210	K	28.4	Very low	33.2	Very low	195 Å²	195	145.5 Å²	145.5	85%	0.848	76%	0.763	S	S	*	*			trans	-44.8	145.2	158.4	-66.8	177.9	172	-176.6	0	113.3
211	H	33.5	Very low	34.3	Very low	184 Å²	184	141.5 Å²	141.5	85%	0.852	75%	0.751	S	S	*	*				-141.6	152.5	127.6	-140.4	-92.9	0	0	0	109.9
212	N	27.8	Very low	34.8	Very low	128 Å²	128	141.4 Å²	141.4	68%	0.684	74%	0.743	S	S	*	*			trans	-72	160.1	168.6	-61	-2.6	0	0	0	108.1
213	T	33.3	Very low	35.7	Very low	125 Å²	125	140.8 Å²	140.8	77%	0.767	74%	0.74	S	S	*	*			cis	-165.1	177.8	46.9	-37.9	0	0	0	0	111.3
214	T	35.1	Very low	36.6	Very low	124 Å²	124	138.3 Å²	138.3	76%	0.761	73%	0.726	S	S	*	*			trans	66	112.3	168.2	44.7	0	0	0	0	117.6
215	D	32.2	Very low	37.8	Very low	164 Å²	164	136 Å²	136	88%	0.877	72%	0.716	S	S	*	*			trans	-71.4	141.8	174.6	-54.3	-86	0	0	0	112.9
216	I	37.7	Very low	38.8	Very low	149 Å²	149	136.7 Å²	136.7	76%	0.764	71%	0.712	S	S	*	*			trans	-112.6	119.4	172.1	-59.1	175.1	0	0	0	108.1	I218	I216-I218 PolarHBondContact O-N 2.99Å
217	P	38.4	Very low	39.8	Very low	112 Å²	112	129.3 Å²	129.3	73%	0.727	69%	0.687	S	S	*	*			trans	-79.4	84.4	-174.5	31.5	-35.4	0	0	0	112.4	S219	P217-S219 PolarHBondContact O-N 3.46Å; P217-S219 PolarHBondContact O-OG 3.02Å
218	I	33.7	Very low	41	Very low	158 Å²	158	126.1 Å²	126.1	81%	0.81	66%	0.66	S	S	*	*			trans	-66.9	95.2	168.6	-55.4	172.1	0	0	0	108.6	I216	I216-I218 PolarHBondContact O-N 2.99Å
219	S	31.9	Very low	41.9	Very low	80 Å²	80	127.6 Å²	127.6	56%	0.559	65%	0.654	S	S	*	*			trans	-149.5	156.7	-173.4	67.5	0	0	0	0	115.8	P217 T221	P217-S219 PolarHBondContact O-N 3.46Å; P217-S219 PolarHBondContact O-OG 3.02Å; S219-T221 PolarHBondContact O-N 2.82Å; S219-T221 VanDerWaalsContact O-N 3.12Å
220	L	42.1	Very low	43.1	Very low	119 Å²	119	127.4 Å²	127.4	62%	0.623	65%	0.648	S	S	*	*	S	Bend	trans	65.1	-71.1	-177.6	-78.7	73.4	0	0	0	117.8	D222 K223	L220-D222 PolarHBondContact O-N 3.32Å; L220-K223 PolarHBondContact O-N 3.28Å; L220-K223 VanDerWaalsContact O-N 3.1Å
221	T	50.9	Low	44.8	Very low	94 Å²	94	123.5 Å²	123.5	58%	0.577	64%	0.637	S	S	*	*	H	α-helix	trans	-51.1	-50	-158.5	48.3	0	0	0	0	115.6	S219 K223 E224 I225	S219-T221 PolarHBondContact O-N 2.82Å; S219-T221 VanDerWaalsContact O-N 3.12Å; T221-K223 VanDerWaalsContact C-N 3.31Å; T221-K223 PolarHBondContact O-N 3.48Å; T221-E224 PolarHBondContact O-N 2.94Å; T221-I225 WeakPolarHBondContact O-CG1 3.38Å; T221-I225 PolarHBondContact O-N 2.9Å; T221-I225 VanDerWaalsContact O-N 3.14Å
222	D	47.3	Very low	46.6	Very low	103 Å²	103	117 Å²	117	55%	0.551	61%	0.607	S	S	*	*	H	α-helix	trans	-63	-33.5	-176.3	-75	-34.9	0	0	0	113.8	L220 E224 I225 I226	L220-D222 PolarHBondContact O-N 3.32Å; D222-E224 VanDerWaalsContact C-N 3.29Å; D222-E224 PolarHBondContact O-N 2.84Å; D222-I225 PolarHBondContact O-N 2.81Å; D222-I226 WeakPolarHBondContact O-CD1 3.5Å; D222-I226 VanDerWaalsContact O-CG1 3.25Å; D222-I226 WeakPolarHBondContact O-CG1 3.4Å; D222-I226 PolarHBondContact O-N 3.2Å
223	K	52.9	Low	48.7	Very low	171 Å²	171	114.3 Å²	114.3	74%	0.743	59%	0.587	S	S	*	*	H	α-helix	trans	-67.6	-34.1	-179.9	-70.8	-176.8	178.9	176.7	0	111.5	L220 T221 A227	L220-K223 PolarHBondContact O-N 3.28Å; L220-K223 VanDerWaalsContact O-N 3.1Å; T221-K223 VanDerWaalsContact C-N 3.31Å; T221-K223 PolarHBondContact O-N 3.48Å; K223-A227 PolarHBondContact O-N 2.93Å; K223-A227 VanDerWaalsContact O-N 3.14Å
224	E	53.2	Low	50.6	Low	100 Å²	100	114.9 Å²	114.9	47%	0.467	58%	0.584	S	S	.	*	H	α-helix	trans	-76.2	-37.2	178	-64.7	177.9	-174.2	0	0	111.6	T221 D222 I226 A227 F228	T221-E224 PolarHBondContact O-N 2.94Å; D222-E224 VanDerWaalsContact C-N 3.29Å; D222-E224 PolarHBondContact O-N 2.84Å; E224-I226 VanDerWaalsContact C-N 3.32Å; E224-I226 PolarHBondContact O-N 3.41Å; E224-A227 WeakPolarHBondContact O-CB 3.23Å; E224-A227 PolarHBondContact O-N 2.96Å; E224-A227 VanDerWaalsContact O-N 3.13Å; E224-F228 WeakPolarHBondContact O-CD2 3.25Å; E224-F228 PolarHBondContact O-N 3.47Å
225	I	55.1	Low	52.6	Low	107 Å²	107	110.5 Å²	110.5	55%	0.549	56%	0.559	S	S	.	*	H	α-helix	trans	-62	-41.4	171.7	-64.9	167.5	0	0	0	110.4	T221 D222 A227 F228	T221-I225 WeakPolarHBondContact O-CG1 3.38Å; T221-I225 PolarHBondContact O-N 2.9Å; T221-I225 VanDerWaalsContact O-N 3.14Å; D222-I225 PolarHBondContact O-N 2.81Å; I225-A227 VanDerWaalsContact C-N 3.29Å; I225-A227 PolarHBondContact O-N 3.34Å; I225-F228 PolarHBondContact O-N 3Å; I225-F228 VanDerWaalsContact O-N 3.15Å
226	I	52.6	Low	54.5	Low	107 Å²	107	110 Å²	110	55%	0.549	55%	0.549	S	S	.	.	H	α-helix	trans	-62.1	-35.4	173.8	-69.6	164	0	0	0	111.7	D222 E224 F228 R229	D222-I226 WeakPolarHBondContact O-CD1 3.5Å; D222-I226 VanDerWaalsContact O-CG1 3.25Å; D222-I226 WeakPolarHBondContact O-CG1 3.4Å; D222-I226 PolarHBondContact O-N 3.2Å; E224-I226 VanDerWaalsContact C-N 3.32Å; E224-I226 PolarHBondContact O-N 3.41Å; I226-F228 PolarHBondContact O-N 3.21Å; I226-R229 WeakPolarHBondContact O-CB 3.37Å; I226-R229 PolarHBondContact O-N 3.04Å
227	A	55	Low	56.4	Low	36 Å²	36	105.6 Å²	105.6	30%	0.298	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-16.6	177	0	0	0	0	0	114.1	K223 E224 I225 R276	K223-A227 PolarHBondContact O-N 2.93Å; K223-A227 VanDerWaalsContact O-N 3.14Å; E224-A227 WeakPolarHBondContact O-CB 3.23Å; E224-A227 PolarHBondContact O-N 2.96Å; E224-A227 VanDerWaalsContact O-N 3.13Å; I225-A227 VanDerWaalsContact C-N 3.29Å; I225-A227 PolarHBondContact O-N 3.34Å; A227-R276 PolarHBondContact O-NH2 3.18Å
228	F	54	Low	58.2	Low	36 Å²	36	110.6 Å²	110.6	16%	0.158	53%	0.533	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-0	173.3	-83.4	-102.9	0	0	0	113.8	E224 I225 I226 R230 R276 L277 K280 I288	E224-F228 WeakPolarHBondContact O-CD2 3.25Å; E224-F228 PolarHBondContact O-N 3.47Å; I225-F228 PolarHBondContact O-N 3Å; I225-F228 VanDerWaalsContact O-N 3.15Å; I226-F228 PolarHBondContact O-N 3.21Å; F228-R230 VanDerWaalsContact C-N 3.31Å; F228-R276 HydrophobicContact CE2-CB 4.41Å; F228-R276 HydrophobicContact CZ-CB 3.78Å; F228-R276 VanDerWaalsContact CZ-O 3.3Å; F228-R276 WeakPolarHBondContact CZ-O 3.45Å; F228-L277 HydrophobicContact CE1-CD2 3.67Å; F228-L277 HydrophobicContact CZ-CD2 3.79Å; F228-K280 VanDerWaalsContact CZ-NZ 3.32Å; F228-I288 HydrophobicContact CD1-CD1 4.47Å; F228-I288 HydrophobicContact CD1-CG2 3.91Å; F228-I288 HydrophobicContact CE1-CD1 4.48Å; F228-I288 HydrophobicContact CE1-CG2 4.26Å
229	R	51.2	Low	60.6	Low	197 Å²	197	110.3 Å²	110.3	74%	0.743	53%	0.528	S	S	*	.	S	Bend	trans	-74.2	-18.9	169.7	-75.2	-172.7	170	-177.5	-1.8	113.6	I226	I226-R229 WeakPolarHBondContact O-CB 3.37Å; I226-R229 PolarHBondContact O-N 3.04Å
230	R	59.6	Low	63.3	Low	187 Å²	187	111 Å²	111	71%	0.706	52%	0.521	S	S	*	.	S	Bend	trans	-73.5	128	173	-71.1	-171.6	177.6	124.1	-0.2	109.6	F228 E232	F228-R230 VanDerWaalsContact C-N 3.31Å; R230-E232 PolarHBondContact O-N 2.77Å
231	N	63.2	Low	65.7	Low	113 Å²	113	105.9 Å²	105.9	60%	0.604	50%	0.495	S	S	*	.			trans	-76.9	115.4	171.3	-176.5	-0.1	0	0	0	109	R233	N231-R233 VanDerWaalsContact OD1-CB 3.32Å; N231-R233 WeakPolarHBondContact OD1-CB 3.23Å; N231-R233 PolarHBondContact OD1-N 2.7Å
232	E	72	Confident	67.7	Low	48 Å²	48	104.9 Å²	104.9	22%	0.224	49%	0.489	C	S	.	.			trans	-115.3	11.4	-177.6	-78.4	178.9	-138.7	0	0	113	R230 L234 S235 R276 R292	R230-E232 PolarHBondContact O-N 2.77Å; E232-L234 PolarHBondContact O-N 3.24Å; E232-S235 WeakPolarHBondContact O-CB 3.44Å; E232-S235 PolarHBondContact O-N 3.39Å; E232-S235 PolarHBondContact O-OG 3.13Å; E232-S235 VanDerWaalsContact O-OG 3.07Å; E232-R276 IonicContact OE1-CZ 3.23Å; E232-R276 IonicContact OE1-NH1 2.91Å; E232-R276 PolarHBondContact OE1-NH1 2.81Å; E232-R276 IonicContact OE2-CZ 3.76Å; E232-R276 IonicContact OE2-NH1 2.7Å; E232-R276 PolarHBondContact OE2-NH1 3.37Å; E232-R292 CarbonylContact C-O 3.59Å; E232-R292 PolarHBondContact N-O 3.41Å
233	R	70.6	Confident	69.9	Low	70 Å²	70	100 Å²	100	26%	0.264	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-34.8	173.6	-169.3	179.8	-177.6	79.4	8.8	113.4	N231 Q291 R292 C293 N295 R359	N231-R233 VanDerWaalsContact OD1-CB 3.32Å; N231-R233 WeakPolarHBondContact OD1-CB 3.23Å; N231-R233 PolarHBondContact OD1-N 2.7Å; R233-Q291 PolarHBondContact NH1-O 3.17Å; R233-R292 PolarHBondContact N-O 2.83Å; R233-C293 VanDerWaalsContact CA-O 3.31Å; R233-C293 WeakPolarHBondContact CA-O 3.42Å; R233-N295 HydrophobicContact CG-CB 3.93Å; R233-R359 PolarHBondContact O-NH2 2.83Å
234	L	73.4	Confident	71.9	Confident	137 Å²	137	93.9 Å²	93.9	72%	0.717	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	11.4	178.7	-57.3	-179.5	0	0	0	113.8	E232 L297	E232-L234 PolarHBondContact O-N 3.24Å; L234-L297 HydrophobicContact CD2-CD1 3.97Å
235	S	76.8	Confident	73.8	Confident	33 Å²	33	89.2 Å²	89.2	23%	0.231	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-71.3	147.2	177.8	77.7	0	0	0	0	111.1	E232 W294 R359	E232-S235 WeakPolarHBondContact O-CB 3.44Å; E232-S235 PolarHBondContact O-N 3.39Å; E232-S235 PolarHBondContact O-OG 3.13Å; E232-S235 VanDerWaalsContact O-OG 3.07Å; S235-W294 VanDerWaalsContact O-CD1 3.22Å; S235-W294 PolarHBondContact O-NE1 3.07Å; S235-R359 PolarHBondContact O-NH1 3.49Å; S235-R359 PolarHBondContact O-NH2 3.32Å; S235-R359 VanDerWaalsContact O-NH2 3.11Å
236	K	74.2	Confident	75.7	Confident	152 Å²	152	85.7 Å²	85.7	66%	0.661	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-89	130.1	170.6	-69	-174.7	168.9	-84.3	0	109.3	E363	K236-E363 WeakPolarHBondContact CG-OE1 3.19Å; K236-E363 IonicContact NZ-OE1 2.7Å; K236-E363 PolarHBondContact NZ-OE1 3.31Å
237	R	76.3	Confident	77.6	Confident	57 Å²	57	80.6 Å²	80.6	22%	0.215	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-88.8	151.1	170.6	-74.7	174.1	172.3	-104	-5	109.5	E274 W294	R237-E274 IonicContact CZ-OE1 2.79Å; R237-E274 IonicContact NH2-OE1 3.61Å; R237-E274 PolarHBondContact NH2-OE1 3.32Å; R237-E274 IonicContact NH2-OE2 3.86Å; R237-E274 PolarHBondContact NH2-OE2 2.92Å; R237-W294 HydrophobicContact CG-CG 4.48Å
238	K	75.5	Confident	79.4	Confident	218 Å²	218	79.7 Å²	79.7	95%	0.948	36%	0.36	S	S	*	.	S	Bend	trans	-81.6	-23.4	173.4	-69.4	-175.2	176.7	-177.6	0	112.7
239	E	85	Confident	81.3	Confident	152 Å²	152	78 Å²	78	71%	0.71	35%	0.352	S	S	*	.	S	Bend	trans	-104.8	142.5	-178.8	-69.6	160.7	-160.5	0	0	109.4	V241	E239-V241 PolarHBondContact O-N 2.84Å
240	K	89	Confident	83.2	Confident	93 Å²	93	71.1 Å²	71.1	40%	0.404	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-69.5	117.8	177.6	-165.2	-167.4	-158.2	-166.2	0	109.5	E361 E365	K240-E361 WeakPolarHBondContact CE-O 3.34Å; K240-E365 HydrophobicContact CD-CB 4.13Å; K240-E365 IonicContact NZ-OE2 2.74Å; K240-E365 PolarHBondContact NZ-OE2 3.22Å
241	V	91.6	Very high	84.7	Confident	13 Å²	13	66.8 Å²	66.8	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.3	178.3	-176.1	0	0	0	0	109.8	E239 V243 W272 W294 E363 V364 E365	E239-V241 PolarHBondContact O-N 2.84Å; V241-V243 HydrophobicContact CG1-CG2 4.17Å; V241-W272 HydrophobicContact CG1-CB 3.96Å; V241-W294 HydrophobicContact CB-CH2 3.74Å; V241-W294 HydrophobicContact CB-CZ2 4.3Å; V241-W294 HydrophobicContact CB-CZ3 4.11Å; V241-W294 HydrophobicContact CG1-CH2 3.88Å; V241-W294 HydrophobicContact CG1-CZ3 3.75Å; V241-W294 HydrophobicContact CG2-CH2 3.83Å; V241-W294 HydrophobicContact CG2-CZ2 3.98Å; V241-W294 HydrophobicContact CG2-CZ3 4.13Å; V241-E363 PolarHBondContact N-O 3.3Å; V241-V364 CarbonylContact O-C 3.6Å; V241-V364 WeakPolarHBondContact O-CA 3.42Å; V241-E365 PolarHBondContact O-N 3.45Å
242	T	93	Very high	86.1	Confident	73 Å²	73	61.5 Å²	61.5	45%	0.448	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.3	167.5	48.6	0	0	0	0	109.7	E365 I367	T242-E365 HydrophobicContact CG2-CB 4.41Å; T242-I367 HydrophobicContact CG2-CD1 3.73Å
243	V	93.7	Very high	87	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.3	178	-173.5	0	0	0	0	107.9	V241 I245 A270 W272 P296 I298 V364 E365 L366 I367	V241-V243 HydrophobicContact CG1-CG2 4.17Å; V243-I245 HydrophobicContact CG1-CG1 4.27Å; V243-I245 PolarHBondContact O-N 3.27Å; V243-A270 HydrophobicContact CG1-CB 4.07Å; V243-W272 HydrophobicContact CG1-CE3 4.42Å; V243-W272 HydrophobicContact CG2-CB 4.18Å; V243-P296 HydrophobicContact CG1-CG 4.39Å; V243-P296 HydrophobicContact CG2-CB 3.87Å; V243-P296 HydrophobicContact CG2-CG 4.36Å; V243-I298 HydrophobicContact CG1-CD1 4.25Å; V243-V364 HydrophobicContact CG2-CG1 3.86Å; V243-E365 PolarHBondContact N-O 3.33Å; V243-L366 HydrophobicContact CB-CD2 3.93Å; V243-L366 HydrophobicContact CG1-CD2 4.39Å; V243-L366 HydrophobicContact CG2-CD2 4.4Å; V243-I367 PolarHBondContact O-N 3.18Å
244	Q	94.4	Very high	87.9	Confident	43 Å²	43	62 Å²	62	20%	0.201	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.1	174.4	-68.5	169.9	-7.8	0	0	108.4	A270 K271 I367 D369	Q244-A270 CarbonylContact O-C 3.58Å; Q244-A270 WeakPolarHBondContact O-CA 3.4Å; Q244-K271 HydrophobicContact CB-CB 4.15Å; Q244-K271 PolarHBondContact N-O 3.34Å; Q244-K271 PolarHBondContact O-N 3.45Å; Q244-I367 CarbonylContact C-O 3.49Å; Q244-I367 VanDerWaalsContact CA-O 3.29Å; Q244-I367 WeakPolarHBondContact CA-O 3.39Å; Q244-D369 HydrophobicContact CB-CB 4.26Å
245	I	94.4	Very high	88.9	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.1	179.3	-76.6	-176.6	0	0	0	110.3	V243 V247 Q269 A270 I298 L355 L366 I367 P368 D369 I414	V243-I245 HydrophobicContact CG1-CG1 4.27Å; V243-I245 PolarHBondContact O-N 3.27Å; I245-V247 HydrophobicContact CG2-CG2 4.28Å; I245-Q269 WeakPolarHBondContact CA-O 3.47Å; I245-A270 HydrophobicContact CG1-CB 4.36Å; I245-I298 HydrophobicContact CD1-CD1 3.91Å; I245-I298 HydrophobicContact CG1-CD1 4.39Å; I245-L355 HydrophobicContact CD1-CD1 4.48Å; I245-L355 HydrophobicContact CG2-CD1 3.81Å; I245-L366 HydrophobicContact CD1-CB 4.22Å; I245-L366 HydrophobicContact CD1-CD1 3.91Å; I245-L366 HydrophobicContact CD1-CD2 3.77Å; I245-L366 HydrophobicContact CD1-CG 4.16Å; I245-I367 PolarHBondContact N-O 3.49Å; I245-P368 WeakPolarHBondContact O-CA 3.47Å; I245-D369 PolarHBondContact O-N 2.83Å; I245-I414 HydrophobicContact CB-CG2 4.43Å; I245-I414 HydrophobicContact CD1-CG2 3.82Å; I245-I414 HydrophobicContact CG2-CG2 4.04Å
246	R	93.8	Very high	89.6	Confident	33 Å²	33	55.3 Å²	55.3	13%	0.125	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.2	173.3	174.6	-169	-173.8	-155.6	-2.9	108.8	V248 I268 Q269 D369 E372 P373	R246-V248 HydrophobicContact CG-CG2 4.35Å; R246-I268 WeakPolarHBondContact O-CA 3.47Å; R246-Q269 HydrophobicContact CB-CB 4.28Å; R246-Q269 PolarHBondContact N-O 2.85Å; R246-Q269 PolarHBondContact O-N 3.11Å; R246-D369 HydrophobicContact CB-CB 4.2Å; R246-E372 VanDerWaalsContact CD-O 3.26Å; R246-E372 WeakPolarHBondContact CD-O 3.35Å; R246-E372 VanDerWaalsContact CG-O 3.31Å; R246-E372 WeakPolarHBondContact CG-O 3.43Å; R246-E372 IonicContact CZ-OE1 2.7Å; R246-E372 IonicContact CZ-OE2 2.71Å; R246-E372 IonicContact NE-OE2 3.97Å; R246-E372 IonicContact NH1-OE1 2.74Å; R246-E372 PolarHBondContact NH1-OE1 3.27Å; R246-E372 IonicContact NH1-OE2 2.9Å; R246-E372 PolarHBondContact NH1-OE2 2.86Å; R246-E372 IonicContact NH2-OE1 3.62Å; R246-P373 PolarHBondContact NE-O 2.74Å
247	V	93.6	Very high	90.3	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.4	173.1	-177.3	0	0	0	0	108.9	I245 F267 I268 I353 L355 C374 R375 V416	I245-V247 HydrophobicContact CG2-CG2 4.28Å; V247-F267 CarbonylContact C-O 3.54Å; V247-F267 WeakPolarHBondContact CA-O 3.48Å; V247-I268 HydrophobicContact CG2-CG1 4.35Å; V247-I353 HydrophobicContact CG1-CD1 4.23Å; V247-L355 HydrophobicContact CG2-CD1 3.62Å; V247-C374 PolarHBondContact N-SG 2.93Å; V247-C374 WeakPolarHBondContact O-CA 3.34Å; V247-C374 WeakPolarHBondContact O-CB 3.49Å; V247-R375 PolarHBondContact O-N 3.14Å; V247-V416 HydrophobicContact CB-CB 4.26Å; V247-V416 HydrophobicContact CB-CG1 4.18Å; V247-V416 HydrophobicContact CB-CG2 4.1Å; V247-V416 HydrophobicContact CG2-CB 4.29Å; V247-V416 HydrophobicContact CG2-CG2 3.76Å
248	V	93	Very high	91	Very high	18 Å²	18	50.7 Å²	50.7	11%	0.109	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.1	174	-176.7	0	0	0	0	108.9	R246 L250 A266 F267 R375	R246-V248 HydrophobicContact CG-CG2 4.35Å; V248-L250 HydrophobicContact CG1-CD2 4.07Å; V248-L250 PolarHBondContact O-N 3.14Å; V248-L250 VanDerWaalsContact O-N 3.14Å; V248-A266 WeakPolarHBondContact O-CA 3.41Å; V248-F267 HydrophobicContact CB-CB 4.33Å; V248-F267 HydrophobicContact CB-CD1 4.46Å; V248-F267 HydrophobicContact CG2-CD1 4.41Å; V248-F267 PolarHBondContact N-O 3.32Å; V248-F267 PolarHBondContact O-N 3.39Å; V248-R375 VanDerWaalsContact CA-O 3.27Å; V248-R375 WeakPolarHBondContact CA-O 3.29Å; V248-R375 HydrophobicContact CG1-CB 4.36Å; V248-R375 HydrophobicContact CG2-CB 4.49Å
249	F	93.1	Very high	91.7	Very high	1 Å²	1	47 Å²	47	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	104.1	171.8	-66.5	-92.1	0	0	0	108.2	I252 I353 R375 I376 N377 I393 V416 C418	F249-I252 HydrophobicContact CD1-CD1 4.09Å; F249-I252 HydrophobicContact CD1-CG1 4.3Å; F249-I353 HydrophobicContact CD1-CD1 4.05Å; F249-I353 HydrophobicContact CE1-CD1 3.47Å; F249-I353 VanDerWaalsContact CE1-CD1 3.47Å; F249-I353 HydrophobicContact CE1-CG1 3.77Å; F249-I353 HydrophobicContact CZ-CD1 3.96Å; F249-I353 HydrophobicContact CZ-CG1 4.02Å; F249-R375 PolarHBondContact N-O 3.14Å; F249-I376 HydrophobicContact CB-CB 4.24Å; F249-I376 HydrophobicContact CB-CD1 3.8Å; F249-I376 HydrophobicContact CB-CG1 3.77Å; F249-I376 HydrophobicContact CD2-CD1 4.14Å; F249-I376 HydrophobicContact CG-CD1 4.04Å; F249-I376 HydrophobicContact CG-CG1 4.48Å; F249-N377 PolarHBondContact O-N 2.85Å; F249-I393 HydrophobicContact CD2-CD1 4.43Å; F249-V416 HydrophobicContact CE2-CG1 4.12Å; F249-C418 HydrophobicContact CD2-CB 4.4Å; F249-C418 HydrophobicContact CE1-CB 4.36Å; F249-C418 HydrophobicContact CE2-CB 3.95Å; F249-C418 HydrophobicContact CZ-CB 3.93Å
250	L	91.3	Very high	92	Very high	51 Å²	51	43.2 Å²	43.2	27%	0.267	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-36.1	-176.6	-69.2	-176.6	0	0	0	112.3	V248 D265 F267 R330 T380	V248-L250 HydrophobicContact CG1-CD2 4.07Å; V248-L250 PolarHBondContact O-N 3.14Å; V248-L250 VanDerWaalsContact O-N 3.14Å; L250-D265 WeakPolarHBondContact CA-O 3.46Å; L250-D265 HydrophobicContact CB-CB 4.4Å; L250-D265 WeakPolarHBondContact CB-O 3.5Å; L250-D265 PolarHBondContact N-O 3.44Å; L250-F267 HydrophobicContact CD1-CB 3.87Å; L250-F267 HydrophobicContact CD2-CB 4.27Å; L250-F267 HydrophobicContact CG-CB 3.92Å; L250-R330 HydrophobicContact CD1-CG 4.08Å; L250-T380 WeakPolarHBondContact O-CB 3.29Å; L250-T380 WeakPolarHBondContact O-CG2 3.38Å; L250-T380 PolarHBondContact O-OG1 2.82Å
251	K	91.5	Very high	92.3	Very high	96 Å²	96	39.8 Å²	39.8	42%	0.417	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	134.3	173.2	169.9	164.8	-173.8	174	0	110.5	A264 D265 T380	K251-A264 WeakPolarHBondContact O-CA 3.37Å; K251-D265 HydrophobicContact CB-CB 4Å; K251-D265 PolarHBondContact N-O 2.94Å; K251-D265 VanDerWaalsContact N-O 3.08Å; K251-D265 PolarHBondContact O-N 3.48Å; K251-T380 WeakPolarHBondContact CA-OG1 3.33Å; K251-T380 WeakPolarHBondContact CG-O 3.4Å
252	I	91.9	Very high	92.4	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.9	167.8	-66.3	173.1	0	0	0	107.7	F249 I255 A264 L351 I376 L381 V382 L389	F249-I252 HydrophobicContact CD1-CD1 4.09Å; F249-I252 HydrophobicContact CD1-CG1 4.3Å; I252-I255 HydrophobicContact CG2-CD1 4.44Å; I252-I255 HydrophobicContact CG2-CG1 4.45Å; I252-A264 HydrophobicContact CG1-CB 4.5Å; I252-L351 HydrophobicContact CD1-CD1 4.26Å; I252-L351 HydrophobicContact CG2-CD1 4.27Å; I252-I376 HydrophobicContact CD1-CD1 3.99Å; I252-L381 HydrophobicContact CB-CD1 3.97Å; I252-L381 HydrophobicContact CG2-CD1 3.85Å; I252-L381 WeakPolarHBondContact O-CA 3.48Å; I252-V382 PolarHBondContact O-N 3.22Å; I252-L389 HydrophobicContact CD1-CD1 3.91Å; I252-L389 HydrophobicContact CD1-CD2 4.26Å
253	G	90.1	Very high	92.4	Very high	11 Å²	11	39.3 Å²	39.3	11%	0.113	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-142.4	177.8	0	0	0	0	0	111.6	H263	G253-H263 PolarHBondContact N-O 3.27Å
254	E	91.1	Very high	92.4	Very high	118 Å²	118	39.6 Å²	39.6	55%	0.551	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	141.2	-180	-167.3	174.2	170.7	0	0	112.1	Y262 H263 D383	E254-Y262 WeakPolarHBondContact O-CA 3.36Å; E254-H263 PolarHBondContact O-N 3.2Å; E254-D383 VanDerWaalsContact CA-OD2 3.32Å; E254-D383 WeakPolarHBondContact CA-OD2 3.45Å
255	I	92.8	Very high	92.4	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.041	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	96.9	175.8	-57.6	166.9	0	0	0	108.4	I252 T257 L351 D383 W387 A420	I252-I255 HydrophobicContact CG2-CD1 4.44Å; I252-I255 HydrophobicContact CG2-CG1 4.45Å; I255-T257 PolarHBondContact O-N 3.48Å; I255-L351 HydrophobicContact CD1-CD1 3.81Å; I255-L351 HydrophobicContact CG1-CD1 4.34Å; I255-L351 HydrophobicContact CG2-CD2 4.45Å; I255-D383 PolarHBondContact N-OD2 2.66Å; I255-W387 HydrophobicContact CB-CZ2 4.19Å; I255-W387 HydrophobicContact CD1-CD2 3.87Å; I255-W387 HydrophobicContact CD1-CE3 4.45Å; I255-W387 HydrophobicContact CD1-CG 3.95Å; I255-W387 HydrophobicContact CD1-CZ2 4.4Å; I255-W387 HydrophobicContact CG2-CH2 4.42Å; I255-W387 HydrophobicContact CG2-CZ2 3.82Å; I255-A420 HydrophobicContact CD1-CB 4.41Å
256	D	91.4	Very high	92.4	Very high	21 Å²	21	38.4 Å²	38.4	11%	0.112	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	102.7	-176.9	-175.7	-26	0	0	0	110.9	L258 K259 E260 I261	D256-L258 VanDerWaalsContact C-N 3.27Å; D256-L258 PolarHBondContact O-N 2.92Å; D256-L258 WeakPolarHBondContact OD1-CA 3.41Å; D256-L258 WeakPolarHBondContact OD1-CB 3.44Å; D256-L258 PolarHBondContact OD1-N 3.45Å; D256-K259 HydrophobicContact CB-CB 4.36Å; D256-K259 PolarHBondContact OD1-N 3.26Å; D256-K259 VanDerWaalsContact OD2-CD 3.26Å; D256-K259 WeakPolarHBondContact OD2-CD 3.49Å; D256-K259 WeakPolarHBondContact OD2-CE 3.48Å; D256-K259 WeakPolarHBondContact OD2-CG 3.3Å; D256-K259 IonicContact OD2-NZ 2.7Å; D256-K259 PolarHBondContact OD2-NZ 2.93Å; D256-E260 PolarHBondContact O-N 2.9Å; D256-E260 VanDerWaalsContact O-N 3.08Å; D256-I261 HydrophobicContact CB-CG1 3.86Å; D256-I261 PolarHBondContact N-O 2.91Å; D256-I261 PolarHBondContact O-N 3.02Å
257	T	90.1	Very high	92.4	Very high	19 Å²	19	38.7 Å²	38.7	12%	0.117	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.9	179.7	55.1	0	0	0	0	114.6	I255 L339 W387 P479	I255-T257 PolarHBondContact O-N 3.48Å; T257-L339 HydrophobicContact CG2-CD1 3.96Å; T257-W387 HydrophobicContact CG2-CZ2 4.11Å; T257-P479 VanDerWaalsContact O-CD 3.26Å; T257-P479 WeakPolarHBondContact O-CD 3.38Å; T257-P479 VanDerWaalsContact O-CG 3.23Å; T257-P479 WeakPolarHBondContact O-CG 3.42Å
258	L	89.6	Confident	92.4	Very high	93 Å²	93	39 Å²	39	49%	0.487	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-30.8	178.1	-60.2	-178.6	0	0	0	111.9	D256	D256-L258 VanDerWaalsContact C-N 3.27Å; D256-L258 PolarHBondContact O-N 2.92Å; D256-L258 WeakPolarHBondContact OD1-CA 3.41Å; D256-L258 WeakPolarHBondContact OD1-CB 3.44Å; D256-L258 PolarHBondContact OD1-N 3.45Å
259	K	90.7	Very high	92.5	Very high	141 Å²	141	38.1 Å²	38.1	61%	0.613	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-7.1	179.4	-62.6	-171.8	-160.3	88.4	0	114.4	D256 I261	D256-K259 HydrophobicContact CB-CB 4.36Å; D256-K259 PolarHBondContact OD1-N 3.26Å; D256-K259 VanDerWaalsContact OD2-CD 3.26Å; D256-K259 WeakPolarHBondContact OD2-CD 3.49Å; D256-K259 WeakPolarHBondContact OD2-CE 3.48Å; D256-K259 WeakPolarHBondContact OD2-CG 3.3Å; D256-K259 IonicContact OD2-NZ 2.7Å; D256-K259 PolarHBondContact OD2-NZ 2.93Å; K259-I261 VanDerWaalsContact C-N 3.34Å; K259-I261 HydrophobicContact CB-CD1 3.97Å; K259-I261 HydrophobicContact CB-CG1 3.89Å; K259-I261 HydrophobicContact CD-CD1 4.02Å
260	E	92.4	Very high	92.5	Very high	72 Å²	72	38.2 Å²	38.2	34%	0.336	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	41.7	-177.5	-60.8	-171.7	119.9	0	0	112.7	D256 E337	D256-E260 PolarHBondContact O-N 2.9Å; D256-E260 VanDerWaalsContact O-N 3.08Å; E260-E337 CarbonylContact C-O 3.56Å; E260-E337 WeakPolarHBondContact CB-O 3.33Å; E260-E337 PolarHBondContact O-N 3.34Å; E260-E337 VanDerWaalsContact O-O 3.11Å
261	I	94.3	Very high	92.6	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.108	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.9	179.5	63.3	-179.2	0	0	0	111.9	D256 K259 L304 V334 F335 L336	D256-I261 HydrophobicContact CB-CG1 3.86Å; D256-I261 PolarHBondContact N-O 2.91Å; D256-I261 PolarHBondContact O-N 3.02Å; K259-I261 VanDerWaalsContact C-N 3.34Å; K259-I261 HydrophobicContact CB-CD1 3.97Å; K259-I261 HydrophobicContact CB-CG1 3.89Å; K259-I261 HydrophobicContact CD-CD1 4.02Å; I261-L304 HydrophobicContact CG2-CD2 3.92Å; I261-V334 HydrophobicContact CB-CG1 3.87Å; I261-V334 HydrophobicContact CD1-CG1 3.86Å; I261-V334 HydrophobicContact CG1-CG1 4.27Å; I261-V334 HydrophobicContact CG2-CG1 4.21Å; I261-F335 CarbonylContact C-O 3.57Å; I261-F335 WeakPolarHBondContact CA-O 3.28Å; I261-F335 WeakPolarHBondContact CB-O 3.45Å; I261-L336 HydrophobicContact CG2-CD1 4.12Å
262	Y	94.2	Very high	92.7	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.8	168.3	74.8	-86.7	0	0	0	112.1	E254 A264 F335 E337 L351 T352 I353	E254-Y262 WeakPolarHBondContact O-CA 3.36Å; Y262-A264 HydrophobicContact CD2-CB 4.1Å; Y262-A264 HydrophobicContact CE2-CB 3.77Å; Y262-F335 HydrophobicContact CD1-CB 3.78Å; Y262-F335 HydrophobicContact CD2-CB 4.43Å; Y262-F335 HydrophobicContact CE1-CB 3.36Å; Y262-F335 HydrophobicContact CE1-CG 4.16Å; Y262-F335 HydrophobicContact CE2-CB 4.06Å; Y262-F335 AromaticContact CE2-CD2 3.93Å; Y262-F335 HydrophobicContact CE2-CD2 3.93Å; Y262-F335 HydrophobicContact CE2-CG 4.19Å; Y262-F335 HydrophobicContact CG-CB 4.3Å; Y262-F335 AromaticContact CZ-CG 3.79Å; Y262-F335 PolarHBondContact N-O 3.48Å; Y262-F335 PolarHBondContact O-N 3.27Å; Y262-E337 HydrophobicContact CD1-CB 3.92Å; Y262-E337 HydrophobicContact CE1-CB 4.02Å; Y262-L351 HydrophobicContact CD1-CB 4.36Å; Y262-L351 HydrophobicContact CD1-CD2 3.83Å; Y262-L351 HydrophobicContact CD2-CD1 4.4Å; Y262-L351 HydrophobicContact CE1-CB 4Å; Y262-L351 HydrophobicContact CE1-CD2 4.29Å; Y262-L351 HydrophobicContact CE2-CB 4.22Å; Y262-L351 HydrophobicContact CG-CD2 4.01Å; Y262-T352 VanDerWaalsContact OH-C 3.28Å; Y262-T352 PolarHBondContact OH-O 2.93Å; Y262-I353 WeakPolarHBondContact OH-CG1 3.27Å
263	H	93.8	Very high	92.6	Very high	76 Å²	76	36.8 Å²	36.8	35%	0.352	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	133.6	175.7	-69.6	-94.8	0	0	0	110.8	G253 E254	G253-H263 PolarHBondContact N-O 3.27Å; E254-H263 PolarHBondContact O-N 3.2Å
264	A	93.5	Very high	92.4	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	150.1	173.3	0	0	0	0	0	114.4	K251 I252 Y262 R332 G333 F335	K251-A264 WeakPolarHBondContact O-CA 3.37Å; I252-A264 HydrophobicContact CG1-CB 4.5Å; Y262-A264 HydrophobicContact CD2-CB 4.1Å; Y262-A264 HydrophobicContact CE2-CB 3.77Å; A264-R332 WeakPolarHBondContact O-CA 3.02Å; A264-G333 PolarHBondContact N-O 3.04Å; A264-G333 PolarHBondContact O-N 3.42Å; A264-F335 HydrophobicContact CB-CD2 4.05Å; A264-F335 HydrophobicContact CB-CE2 3.94Å
265	D	93.5	Very high	92.1	Very high	19 Å²	19	33.8 Å²	33.8	10%	0.102	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.8	163.6	-169.4	-29.3	0	0	0	106.5	L250 K251 R330 L331	L250-D265 WeakPolarHBondContact CA-O 3.46Å; L250-D265 HydrophobicContact CB-CB 4.4Å; L250-D265 WeakPolarHBondContact CB-O 3.5Å; L250-D265 PolarHBondContact N-O 3.44Å; K251-D265 HydrophobicContact CB-CB 4Å; K251-D265 PolarHBondContact N-O 2.94Å; K251-D265 VanDerWaalsContact N-O 3.08Å; K251-D265 PolarHBondContact O-N 3.48Å; D265-R330 IonicContact OD1-CZ 3.46Å; D265-R330 IonicContact OD1-NE 3.78Å; D265-R330 PolarHBondContact OD1-NE 3.32Å; D265-R330 IonicContact OD1-NH2 2.58Å; D265-R330 IonicContact OD2-CZ 3.91Å; D265-R330 IonicContact OD2-NE 3.49Å; D265-R330 PolarHBondContact OD2-NE 2.96Å; D265-R330 IonicContact OD2-NH2 2.85Å; D265-R330 PolarHBondContact OD2-NH2 2.89Å; D265-L331 WeakPolarHBondContact CA-O 3.28Å
266	A	93.7	Very high	91.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.8	-174.6	0	0	0	0	0	111.1	V248 R330 L331 I353	V248-A266 WeakPolarHBondContact O-CA 3.41Å; A266-R330 WeakPolarHBondContact O-CA 3.39Å; A266-L331 HydrophobicContact CB-CD1 4.21Å; A266-L331 HydrophobicContact CB-CD2 4.12Å; A266-L331 HydrophobicContact CB-CG 4.04Å; A266-L331 PolarHBondContact N-O 3.39Å; A266-L331 PolarHBondContact O-N 2.86Å; A266-I353 HydrophobicContact CB-CD1 3.68Å
267	F	94.2	Very high	90.8	Very high	39 Å²	39	36.2 Å²	36.2	17%	0.171	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	112.4	174.5	176.4	-95.4	0	0	0	109	V247 V248 L250 Q269 R328 R329	V247-F267 CarbonylContact C-O 3.54Å; V247-F267 WeakPolarHBondContact CA-O 3.48Å; V248-F267 HydrophobicContact CB-CB 4.33Å; V248-F267 HydrophobicContact CB-CD1 4.46Å; V248-F267 HydrophobicContact CG2-CD1 4.41Å; V248-F267 PolarHBondContact N-O 3.32Å; V248-F267 PolarHBondContact O-N 3.39Å; L250-F267 HydrophobicContact CD1-CB 3.87Å; L250-F267 HydrophobicContact CD2-CB 4.27Å; L250-F267 HydrophobicContact CG-CB 3.92Å; F267-Q269 HydrophobicContact CE1-CB 4.11Å; F267-R328 HydrophobicContact CE1-CG 4.48Å; F267-R328 HydrophobicContact CE2-CB 4.05Å; F267-R328 HydrophobicContact CE2-CG 4.16Å; F267-R328 HydrophobicContact CZ-CB 4.05Å; F267-R328 HydrophobicContact CZ-CG 3.64Å; F267-R329 CarbonylContact C-O 3.52Å; F267-R329 WeakPolarHBondContact CA-O 3.32Å
268	I	94.4	Very high	90.3	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.4	175	-57.5	169	0	0	0	107.9	R246 V247 I300 R328 R329 L331 L355	R246-I268 WeakPolarHBondContact O-CA 3.47Å; V247-I268 HydrophobicContact CG2-CG1 4.35Å; I268-I300 HydrophobicContact CD1-CD1 3.72Å; I268-I300 HydrophobicContact CD1-CG1 4.28Å; I268-R328 WeakPolarHBondContact O-CA 3.15Å; I268-R329 PolarHBondContact N-O 2.93Å; I268-R329 PolarHBondContact O-N 3.42Å; I268-L331 HydrophobicContact CD1-CD2 3.42Å; I268-L331 VanDerWaalsContact CD1-CD2 3.42Å; I268-L331 HydrophobicContact CG1-CD2 4.01Å; I268-L355 HydrophobicContact CD1-CD1 4.17Å; I268-L355 HydrophobicContact CD1-CD2 3.61Å; I268-L355 HydrophobicContact CG1-CD1 4.32Å; I268-L355 HydrophobicContact CG2-CD1 3.75Å
269	Q	94	Very high	89.6	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.7	170	176.6	178.4	-75.4	0	0	109.2	I245 R246 F267 V326 E327 R328 E372	I245-Q269 WeakPolarHBondContact CA-O 3.47Å; R246-Q269 HydrophobicContact CB-CB 4.28Å; R246-Q269 PolarHBondContact N-O 2.85Å; R246-Q269 PolarHBondContact O-N 3.11Å; F267-Q269 HydrophobicContact CE1-CB 4.11Å; Q269-V326 HydrophobicContact CG-CG1 3.65Å; Q269-E327 CarbonylContact C-O 3.56Å; Q269-E327 WeakPolarHBondContact CA-O 3.4Å; Q269-R328 HydrophobicContact CB-CG 4.19Å; Q269-R328 HydrophobicContact CG-CG 3.98Å; Q269-R328 VanDerWaalsContact OE1-CZ 3.26Å; Q269-E372 PolarHBondContact NE2-OE2 3.11Å
270	A	94.2	Very high	89	Confident	3 Å²	3	31.2 Å²	31.2	3%	0.025	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.8	175.1	0	0	0	0	0	109.5	V243 Q244 I245 W272 I298 V326 E327	V243-A270 HydrophobicContact CG1-CB 4.07Å; Q244-A270 CarbonylContact O-C 3.58Å; Q244-A270 WeakPolarHBondContact O-CA 3.4Å; I245-A270 HydrophobicContact CG1-CB 4.36Å; A270-W272 HydrophobicContact CB-CZ3 4.35Å; A270-I298 HydrophobicContact CB-CD1 3.33Å; A270-V326 WeakPolarHBondContact O-CA 3.32Å; A270-E327 PolarHBondContact N-O 3.16Å; A270-E327 PolarHBondContact O-N 2.83Å
271	K	93.2	Very high	88.2	Confident	41 Å²	41	32.2 Å²	32.2	18%	0.178	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123	-171.2	173.1	162.7	-173.6	167.1	0	110.4	Q244 E316 F324 I325 V326	Q244-K271 HydrophobicContact CB-CB 4.15Å; Q244-K271 PolarHBondContact N-O 3.34Å; Q244-K271 PolarHBondContact O-N 3.45Å; K271-E316 IonicContact NZ-OE2 2.73Å; K271-E316 PolarHBondContact NZ-OE2 2.93Å; K271-F324 HydrophobicContact CG-CB 4.04Å; K271-F324 HydrophobicContact CG-CD1 3.85Å; K271-F324 HydrophobicContact CG-CG 4.29Å; K271-I325 WeakPolarHBondContact CA-O 3.34Å; K271-V326 HydrophobicContact CB-CG2 4.13Å; K271-V326 HydrophobicContact CD-CG2 3.82Å; K271-V326 HydrophobicContact CG-CG2 3.83Å
272	W	92.8	Very high	87.3	Confident	3 Å²	3	35.3 Å²	35.3	1%	0.011	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.2	-179.5	67.5	92.4	0	0	0	112.1	V241 V243 A270 W294 P296 F324 I325 E327	V241-W272 HydrophobicContact CG1-CB 3.96Å; V243-W272 HydrophobicContact CG1-CE3 4.42Å; V243-W272 HydrophobicContact CG2-CB 4.18Å; A270-W272 HydrophobicContact CB-CZ3 4.35Å; W272-W294 AromaticContact CD1-CE3 3.89Å; W272-W294 AromaticContact CD1-CZ3 3.93Å; W272-W294 HydrophobicContact CG-CZ3 4.22Å; W272-W294 WeakPolarHBondContact CZ2-O 3.35Å; W272-W294 AromaticContact NE1-CE3 3.7Å; W272-W294 PolarHBondContact NE1-O 3.31Å; W272-P296 HydrophobicContact CD2-CG 4.29Å; W272-P296 HydrophobicContact CE3-CG 3.84Å; W272-P296 VanDerWaalsContact CH2-CD 3.46Å; W272-P296 HydrophobicContact CH2-CG 4.13Å; W272-P296 HydrophobicContact CZ3-CG 3.75Å; W272-F324 CarbonylContact O-C 3.51Å; W272-F324 VanDerWaalsContact O-CA 3.23Å; W272-F324 WeakPolarHBondContact O-CA 3.21Å; W272-I325 HydrophobicContact CD2-CB 4.25Å; W272-I325 HydrophobicContact CH2-CB 4.47Å; W272-I325 HydrophobicContact CH2-CG2 3.75Å; W272-I325 HydrophobicContact CZ2-CB 3.87Å; W272-I325 HydrophobicContact CZ2-CD1 4.44Å; W272-I325 HydrophobicContact CZ2-CG2 3.45Å; W272-I325 VanDerWaalsContact CZ2-CG2 3.45Å; W272-I325 HydrophobicContact CZ3-CG2 4.4Å; W272-I325 PolarHBondContact N-O 3.42Å; W272-I325 PolarHBondContact O-N 3.24Å; W272-E327 HydrophobicContact CH2-CB 3.84Å; W272-E327 HydrophobicContact CZ3-CB 3.66Å
273	R	89.7	Confident	86.4	Confident	75 Å²	75	41.2 Å²	41.2	28%	0.283	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	133.6	-180	-163.5	-171.5	-172.6	-61.5	1.4	110.5	D278 E322 F324	R273-D278 IonicContact CZ-OD2 2.7Å; R273-D278 VanDerWaalsContact CZ-OD2 3.23Å; R273-D278 IonicContact NH1-OD1 2.82Å; R273-D278 IonicContact NH1-OD2 3.18Å; R273-D278 PolarHBondContact NH1-OD2 3.24Å; R273-D278 IonicContact NH2-OD2 3.61Å; R273-D278 PolarHBondContact NH2-OD2 2.83Å; R273-E322 IonicContact CZ-OE1 3.39Å; R273-E322 IonicContact NE-OE1 2.74Å; R273-E322 PolarHBondContact NE-OE1 2.96Å; R273-E322 IonicContact NH2-OE1 3.67Å; R273-E322 PolarHBondContact NH2-OE1 3.31Å; R273-F324 HydrophobicContact CB-CD1 4.19Å; R273-F324 HydrophobicContact CB-CE1 3.87Å; R273-F324 HydrophobicContact CB-CZ 4.15Å; R273-F324 HydrophobicContact CG-CE1 4.4Å; R273-F324 HydrophobicContact CG-CE2 4.41Å; R273-F324 HydrophobicContact CG-CZ 4.19Å
274	E	87.3	Confident	85.3	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.019	22%	0.219	C	C	.	.			trans	-121.3	88.9	173.7	178.7	52.9	-80.5	0	0	110.5	R237 R276 L277 I323 I325	R237-E274 IonicContact CZ-OE1 2.79Å; R237-E274 IonicContact NH2-OE1 3.61Å; R237-E274 PolarHBondContact NH2-OE1 3.32Å; R237-E274 IonicContact NH2-OE2 3.86Å; R237-E274 PolarHBondContact NH2-OE2 2.92Å; E274-R276 HydrophobicContact CG-CB 4.43Å; E274-R276 PolarHBondContact O-N 3.46Å; E274-R276 PolarHBondContact OE1-N 3.48Å; E274-L277 HydrophobicContact CB-CD1 4.21Å; E274-L277 HydrophobicContact CB-CG 4.47Å; E274-L277 HydrophobicContact CG-CB 4.43Å; E274-L277 HydrophobicContact CG-CD1 3.84Å; E274-L277 HydrophobicContact CG-CG 3.81Å; E274-L277 PolarHBondContact O-N 3.22Å; E274-I323 PolarHBondContact N-O 3Å; E274-I325 HydrophobicContact CB-CD1 3.83Å; E274-I325 HydrophobicContact CB-CG1 3.96Å; E274-I325 HydrophobicContact CG-CD1 3.94Å
275	P	83.7	Confident	84.4	Confident	61 Å²	61	40.5 Å²	40.5	40%	0.396	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-17.5	-176.9	-20.3	28.4	0	0	0	115.2	L277	P275-L277 VanDerWaalsContact C-N 3.26Å; P275-L277 PolarHBondContact O-N 3.25Å
276	R	77.8	Confident	83.5	Confident	81 Å²	81	50.2 Å²	50.2	31%	0.306	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-7.9	178.1	-60.6	-173.7	60.6	-169.1	-5	114.2	A227 F228 E232 E274	A227-R276 PolarHBondContact O-NH2 3.18Å; F228-R276 HydrophobicContact CE2-CB 4.41Å; F228-R276 HydrophobicContact CZ-CB 3.78Å; F228-R276 VanDerWaalsContact CZ-O 3.3Å; F228-R276 WeakPolarHBondContact CZ-O 3.45Å; E232-R276 IonicContact OE1-CZ 3.23Å; E232-R276 IonicContact OE1-NH1 2.91Å; E232-R276 PolarHBondContact OE1-NH1 2.81Å; E232-R276 IonicContact OE2-CZ 3.76Å; E232-R276 IonicContact OE2-NH1 2.7Å; E232-R276 PolarHBondContact OE2-NH1 3.37Å; E274-R276 HydrophobicContact CG-CB 4.43Å; E274-R276 PolarHBondContact O-N 3.46Å; E274-R276 PolarHBondContact OE1-N 3.48Å
277	L	79.6	Confident	82.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-21.4	177.9	-64.9	176.7	0	0	0	112.8	F228 E274 P275 G279 K280 L285 I288 L290 T315 I323 I325	F228-L277 HydrophobicContact CE1-CD2 3.67Å; F228-L277 HydrophobicContact CZ-CD2 3.79Å; E274-L277 HydrophobicContact CB-CD1 4.21Å; E274-L277 HydrophobicContact CB-CG 4.47Å; E274-L277 HydrophobicContact CG-CB 4.43Å; E274-L277 HydrophobicContact CG-CD1 3.84Å; E274-L277 HydrophobicContact CG-CG 3.81Å; E274-L277 PolarHBondContact O-N 3.22Å; P275-L277 VanDerWaalsContact C-N 3.26Å; P275-L277 PolarHBondContact O-N 3.25Å; L277-G279 PolarHBondContact O-N 3Å; L277-K280 HydrophobicContact CD2-CD 4.07Å; L277-K280 VanDerWaalsContact O-CB 3.31Å; L277-K280 WeakPolarHBondContact O-CB 3.13Å; L277-K280 WeakPolarHBondContact O-CG 3.23Å; L277-K280 PolarHBondContact O-N 3.15Å; L277-K280 VanDerWaalsContact O-N 3.09Å; L277-L285 HydrophobicContact CB-CD2 4.16Å; L277-L285 HydrophobicContact CD2-CD2 4.09Å; L277-L285 HydrophobicContact CG-CD2 4.48Å; L277-I288 HydrophobicContact CD2-CD1 3.67Å; L277-L290 HydrophobicContact CD1-CD2 4.43Å; L277-T315 HydrophobicContact CD1-CG2 4.02Å; L277-I323 HydrophobicContact CB-CB 3.91Å; L277-I323 HydrophobicContact CB-CD1 4.16Å; L277-I323 HydrophobicContact CB-CG1 4.49Å; L277-I323 HydrophobicContact CB-CG2 3.78Å; L277-I323 HydrophobicContact CD1-CG2 4.13Å; L277-I323 VanDerWaalsContact O-CD1 3.29Å; L277-I323 WeakPolarHBondContact O-CD1 3.32Å; L277-I325 HydrophobicContact CD1-CD1 4.19Å; L277-I325 HydrophobicContact CD1-CG1 4.14Å
278	D	80.7	Confident	81.5	Confident	53 Å²	53	57 Å²	57	28%	0.283	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43	134.2	174	-63.8	-2.6	0	0	0	111.6	R273 K280 I323	R273-D278 IonicContact CZ-OD2 2.7Å; R273-D278 VanDerWaalsContact CZ-OD2 3.23Å; R273-D278 IonicContact NH1-OD1 2.82Å; R273-D278 IonicContact NH1-OD2 3.18Å; R273-D278 PolarHBondContact NH1-OD2 3.24Å; R273-D278 IonicContact NH2-OD2 3.61Å; R273-D278 PolarHBondContact NH2-OD2 2.83Å; D278-K280 VanDerWaalsContact C-N 3.34Å; D278-K280 PolarHBondContact O-N 2.61Å; D278-I323 PolarHBondContact OD1-N 3.11Å
279	G	74.8	Confident	80.6	Confident	57 Å²	57	60 Å²	60	59%	0.588	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-2.1	-178.4	0	0	0	0	0	116.9	L277	L277-G279 PolarHBondContact O-N 3Å
280	K	76.4	Confident	79.9	Confident	37 Å²	37	61.3 Å²	61.3	16%	0.161	31%	0.308	C	S	.	.			trans	-82.5	143.5	176.6	-66.6	-174.9	-179.3	-173.4	0	113.1	F228 L277 D278 C284 L285 I288 R317	F228-K280 VanDerWaalsContact CZ-NZ 3.32Å; L277-K280 HydrophobicContact CD2-CD 4.07Å; L277-K280 VanDerWaalsContact O-CB 3.31Å; L277-K280 WeakPolarHBondContact O-CB 3.13Å; L277-K280 WeakPolarHBondContact O-CG 3.23Å; L277-K280 PolarHBondContact O-N 3.15Å; L277-K280 VanDerWaalsContact O-N 3.09Å; D278-K280 VanDerWaalsContact C-N 3.34Å; D278-K280 PolarHBondContact O-N 2.61Å; K280-C284 HydrophobicContact CB-CB 4.47Å; K280-L285 HydrophobicContact CB-CD2 3.96Å; K280-I288 HydrophobicContact CD-CD1 3.86Å; K280-R317 PolarHBondContact O-NH2 3.46Å
281	T	76.8	Confident	79	Confident	94 Å²	94	67.3 Å²	67.3	58%	0.577	34%	0.336	S	S	*	.			trans	-68	146.7	171	-38	0	0	0	0	111.5	E283 C284 L285	T281-E283 PolarHBondContact O-N 2.89Å; T281-E283 VanDerWaalsContact O-N 3.16Å; T281-C284 WeakPolarHBondContact O-CA 3.26Å; T281-C284 VanDerWaalsContact O-CB 3.31Å; T281-C284 WeakPolarHBondContact O-CB 3.19Å; T281-C284 PolarHBondContact O-N 3.4Å; T281-L285 PolarHBondContact O-N 3.1Å; T281-L285 VanDerWaalsContact O-N 3.17Å
282	D	75.9	Confident	78.2	Confident	86 Å²	86	70.8 Å²	70.8	46%	0.46	35%	0.348	S	S	.	.	H	α-helix	trans	-59.1	-30.5	-176.6	-66.1	-5.1	0	0	0	114	C284 L285 R286 R317	D282-C284 VanDerWaalsContact C-N 3.31Å; D282-C284 PolarHBondContact O-N 3.23Å; D282-L285 PolarHBondContact O-N 3.04Å; D282-R286 WeakPolarHBondContact O-CG 3.36Å; D282-R286 PolarHBondContact O-N 3.18Å; D282-R317 IonicContact OD1-CZ 3.81Å; D282-R317 IonicContact OD1-NE 2.73Å; D282-R317 IonicContact OD1-NH2 2.76Å; D282-R317 PolarHBondContact OD1-NH2 3.04Å
283	E	73.6	Confident	77.5	Confident	124 Å²	124	71 Å²	71	58%	0.579	35%	0.35	S	S	*	.	H	α-helix	trans	-59.5	-40.1	169.9	-81.1	-161.9	-142.5	0	0	113.1	T281 K287	T281-E283 PolarHBondContact O-N 2.89Å; T281-E283 VanDerWaalsContact O-N 3.16Å; E283-K287 VanDerWaalsContact O-CD 3.29Å; E283-K287 WeakPolarHBondContact O-CD 3.21Å; E283-K287 VanDerWaalsContact O-CG 3.22Å; E283-K287 WeakPolarHBondContact O-CG 3.37Å; E283-K287 PolarHBondContact O-N 2.82Å; E283-K287 IonicContact OE2-NZ 3.48Å; E283-K287 PolarHBondContact OE2-NZ 3.35Å
284	C	70.7	Confident	77.3	Confident	57 Å²	57	67.6 Å²	67.6	39%	0.385	34%	0.337	S	S	.	.	H	α-helix	trans	-71.4	-34.9	177.8	-66.1	0	0	0	0	110.6	K280 T281 D282 K287 I288	K280-C284 HydrophobicContact CB-CB 4.47Å; T281-C284 WeakPolarHBondContact O-CA 3.26Å; T281-C284 VanDerWaalsContact O-CB 3.31Å; T281-C284 WeakPolarHBondContact O-CB 3.19Å; T281-C284 PolarHBondContact O-N 3.4Å; D282-C284 VanDerWaalsContact C-N 3.31Å; D282-C284 PolarHBondContact O-N 3.23Å; C284-K287 PolarHBondContact O-N 3.36Å; C284-I288 WeakPolarHBondContact O-CD1 3.46Å; C284-I288 VanDerWaalsContact O-CG1 3.23Å; C284-I288 WeakPolarHBondContact O-CG1 3.39Å; C284-I288 PolarHBondContact O-N 3.46Å
285	L	75.3	Confident	77.3	Confident	9 Å²	9	67.5 Å²	67.5	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-46.4	173.1	-56.3	177.1	0	0	0	111.1	L277 K280 T281 D282 K287 I288 I323	L277-L285 HydrophobicContact CB-CD2 4.16Å; L277-L285 HydrophobicContact CD2-CD2 4.09Å; L277-L285 HydrophobicContact CG-CD2 4.48Å; K280-L285 HydrophobicContact CB-CD2 3.96Å; T281-L285 PolarHBondContact O-N 3.1Å; T281-L285 VanDerWaalsContact O-N 3.17Å; D282-L285 PolarHBondContact O-N 3.04Å; L285-K287 PolarHBondContact O-N 2.87Å; L285-I288 PolarHBondContact O-N 3.24Å; L285-I288 VanDerWaalsContact O-N 3.1Å; L285-I323 HydrophobicContact CD1-CD1 3.66Å; L285-I323 HydrophobicContact CD2-CD1 3.81Å; L285-I323 HydrophobicContact CG-CD1 4.33Å
286	R	74.4	Confident	77.4	Confident	224 Å²	224	64.6 Å²	64.6	85%	0.845	32%	0.318	S	S	*	.	H	α-helix	trans	-62.6	-23.1	175.4	-69.1	174.2	-174.2	-115.8	3.6	114	D282	D282-R286 WeakPolarHBondContact O-CG 3.36Å; D282-R286 PolarHBondContact O-N 3.18Å
287	K	72.6	Confident	77.9	Confident	151 Å²	151	61.8 Å²	61.8	66%	0.657	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-6.6	177.5	-68.7	162.6	-168	162.3	0	113.2	E283 C284 L285	E283-K287 VanDerWaalsContact O-CD 3.29Å; E283-K287 WeakPolarHBondContact O-CD 3.21Å; E283-K287 VanDerWaalsContact O-CG 3.22Å; E283-K287 WeakPolarHBondContact O-CG 3.37Å; E283-K287 PolarHBondContact O-N 2.82Å; E283-K287 IonicContact OE2-NZ 3.48Å; E283-K287 PolarHBondContact OE2-NZ 3.35Å; C284-K287 PolarHBondContact O-N 3.36Å; L285-K287 PolarHBondContact O-N 2.87Å
288	I	72.6	Confident	78.5	Confident	30 Å²	30	62 Å²	62	15%	0.154	31%	0.31	C	S	.	.	S	Bend	trans	-93.3	129.9	179.5	-73.1	162.3	0	0	0	110.3	F228 L277 K280 C284 L285 L290	F228-I288 HydrophobicContact CD1-CD1 4.47Å; F228-I288 HydrophobicContact CD1-CG2 3.91Å; F228-I288 HydrophobicContact CE1-CD1 4.48Å; F228-I288 HydrophobicContact CE1-CG2 4.26Å; L277-I288 HydrophobicContact CD2-CD1 3.67Å; K280-I288 HydrophobicContact CD-CD1 3.86Å; C284-I288 WeakPolarHBondContact O-CD1 3.46Å; C284-I288 VanDerWaalsContact O-CG1 3.23Å; C284-I288 WeakPolarHBondContact O-CG1 3.39Å; C284-I288 PolarHBondContact O-N 3.46Å; L285-I288 PolarHBondContact O-N 3.24Å; L285-I288 VanDerWaalsContact O-N 3.1Å; I288-L290 HydrophobicContact CG2-CD2 4.27Å; I288-L290 PolarHBondContact O-N 3.15Å
289	D	76.5	Confident	79	Confident	68 Å²	68	63.2 Å²	63.2	36%	0.364	32%	0.316	S	S	.	.			trans	-73.3	89.3	173.9	-175.7	-10.6	0	0	0	110.5	Q291 R292	D289-Q291 PolarHBondContact O-N 2.87Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.47Å; D289-Q291 PolarHBondContact OD1-N 3.32Å; D289-R292 HydrophobicContact CB-CG 4.24Å; D289-R292 WeakPolarHBondContact O-CB 3.42Å; D289-R292 PolarHBondContact O-N 3.28Å; D289-R292 IonicContact OD2-CZ 2.61Å; D289-R292 VanDerWaalsContact OD2-CZ 3.24Å; D289-R292 IonicContact OD2-NE 3.68Å; D289-R292 PolarHBondContact OD2-NE 2.9Å; D289-R292 IonicContact OD2-NH2 3.82Å; D289-R292 PolarHBondContact OD2-NH2 2.84Å
290	L	78.5	Confident	79.9	Confident	29 Å²	29	61.9 Å²	61.9	15%	0.152	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58.6	-18.5	-177.8	-60.5	177	0	0	0	113.5	L277 I288 R292 C293 I313 T315	L277-L290 HydrophobicContact CD1-CD2 4.43Å; I288-L290 HydrophobicContact CG2-CD2 4.27Å; I288-L290 PolarHBondContact O-N 3.15Å; L290-R292 PolarHBondContact O-N 3.05Å; L290-C293 WeakPolarHBondContact O-CB 3.39Å; L290-C293 PolarHBondContact O-N 3.34Å; L290-I313 HydrophobicContact CB-CB 4.37Å; L290-I313 HydrophobicContact CB-CG2 3.94Å; L290-I313 HydrophobicContact CD1-CB 4.46Å; L290-I313 HydrophobicContact CD1-CG2 4.06Å; L290-T315 HydrophobicContact CD1-CG2 4.07Å; L290-T315 HydrophobicContact CD2-CG2 3.68Å
291	Q	76.2	Confident	80.5	Confident	129 Å²	129	64.3 Å²	64.3	60%	0.603	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-70.3	-20.9	177.4	-57.7	-172.1	-6.5	0	0	112.8	R233 D289 I313	R233-Q291 PolarHBondContact NH1-O 3.17Å; D289-Q291 PolarHBondContact O-N 2.87Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.47Å; D289-Q291 PolarHBondContact OD1-N 3.32Å; Q291-I313 HydrophobicContact CG-CD1 4.34Å
292	R	75.8	Confident	81.3	Confident	115 Å²	115	60.8 Å²	60.8	43%	0.434	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-87.6	-16.7	177.5	-57.6	-176.6	-160.5	-152.1	2.1	114.1	E232 R233 D289 L290	E232-R292 CarbonylContact C-O 3.59Å; E232-R292 PolarHBondContact N-O 3.41Å; R233-R292 PolarHBondContact N-O 2.83Å; D289-R292 HydrophobicContact CB-CG 4.24Å; D289-R292 WeakPolarHBondContact O-CB 3.42Å; D289-R292 PolarHBondContact O-N 3.28Å; D289-R292 IonicContact OD2-CZ 2.61Å; D289-R292 VanDerWaalsContact OD2-CZ 3.24Å; D289-R292 IonicContact OD2-NE 3.68Å; D289-R292 PolarHBondContact OD2-NE 2.9Å; D289-R292 IonicContact OD2-NH2 3.82Å; D289-R292 PolarHBondContact OD2-NH2 2.84Å; L290-R292 PolarHBondContact O-N 3.05Å
293	C	78.8	Confident	82.1	Confident	8 Å²	8	59 Å²	59	5%	0.054	28%	0.277	C	S	.	.	S	Bend	trans	-62.5	162.2	173.7	-70	0	0	0	0	110.5	R233 L290 N295 I325	R233-C293 VanDerWaalsContact CA-O 3.31Å; R233-C293 WeakPolarHBondContact CA-O 3.42Å; L290-C293 WeakPolarHBondContact O-CB 3.39Å; L290-C293 PolarHBondContact O-N 3.34Å; C293-N295 PolarHBondContact O-N 3.22Å; C293-I325 HydrophobicContact CB-CD1 3.65Å
294	W	85.1	Confident	82.9	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.008	28%	0.278	C	S	.	.			trans	-58.4	133.6	174	-179.5	95.4	0	0	0	109.7	S235 R237 V241 W272 P296 V364	S235-W294 VanDerWaalsContact O-CD1 3.22Å; S235-W294 PolarHBondContact O-NE1 3.07Å; R237-W294 HydrophobicContact CG-CG 4.48Å; V241-W294 HydrophobicContact CB-CH2 3.74Å; V241-W294 HydrophobicContact CB-CZ2 4.3Å; V241-W294 HydrophobicContact CB-CZ3 4.11Å; V241-W294 HydrophobicContact CG1-CH2 3.88Å; V241-W294 HydrophobicContact CG1-CZ3 3.75Å; V241-W294 HydrophobicContact CG2-CH2 3.83Å; V241-W294 HydrophobicContact CG2-CZ2 3.98Å; V241-W294 HydrophobicContact CG2-CZ3 4.13Å; W272-W294 AromaticContact CD1-CE3 3.89Å; W272-W294 AromaticContact CD1-CZ3 3.93Å; W272-W294 HydrophobicContact CG-CZ3 4.22Å; W272-W294 WeakPolarHBondContact CZ2-O 3.35Å; W272-W294 AromaticContact NE1-CE3 3.7Å; W272-W294 PolarHBondContact NE1-O 3.31Å; W294-P296 HydrophobicContact CH2-CB 3.77Å; W294-P296 HydrophobicContact CZ3-CB 3.87Å; W294-P296 HydrophobicContact CZ3-CG 4.37Å; W294-V364 HydrophobicContact CH2-CG2 3.7Å; W294-V364 HydrophobicContact CZ2-CG2 3.75Å
295	N	87.3	Confident	83.7	Confident	3 Å²	3	59 Å²	59	2%	0.016	28%	0.282	C	S	.	.			trans	-125.8	138.8	-177.2	-171.4	-83.2	0	0	0	109.8	R233 C293 L297 E327	R233-N295 HydrophobicContact CG-CB 3.93Å; C293-N295 PolarHBondContact O-N 3.22Å; N295-L297 HydrophobicContact CB-CD2 4.42Å; N295-L297 PolarHBondContact O-N 2.99Å; N295-L297 WeakPolarHBondContact OD1-CA 3.48Å; N295-L297 PolarHBondContact OD1-N 3.25Å; N295-E327 PolarHBondContact ND2-OE2 2.98Å
296	P	87	Confident	84	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.299	C	S	.	.			trans	-75.8	-4.4	-179.3	31.1	-36.2	0	0	0	114.1	V243 W272 W294 I298 S357	V243-P296 HydrophobicContact CG1-CG 4.39Å; V243-P296 HydrophobicContact CG2-CB 3.87Å; V243-P296 HydrophobicContact CG2-CG 4.36Å; W272-P296 HydrophobicContact CD2-CG 4.29Å; W272-P296 HydrophobicContact CE3-CG 3.84Å; W272-P296 VanDerWaalsContact CH2-CD 3.46Å; W272-P296 HydrophobicContact CH2-CG 4.13Å; W272-P296 HydrophobicContact CZ3-CG 3.75Å; W294-P296 HydrophobicContact CH2-CB 3.77Å; W294-P296 HydrophobicContact CZ3-CB 3.87Å; W294-P296 HydrophobicContact CZ3-CG 4.37Å; P296-I298 HydrophobicContact CB-CD1 4.49Å; P296-I298 HydrophobicContact CB-CG1 4.3Å; P296-I298 HydrophobicContact CG-CD1 3.94Å; P296-I298 HydrophobicContact CG-CG1 4.11Å; P296-I298 PolarHBondContact O-N 2.69Å; P296-S357 PolarHBondContact O-OG 3.48Å
297	L	88.2	Confident	84.1	Confident	22 Å²	22	55.5 Å²	55.5	12%	0.115	28%	0.283	C	S	.	.			trans	51.4	59.5	176	-57	172.9	0	0	0	111.9	L234 N295 S357 E358	L234-L297 HydrophobicContact CD2-CD1 3.97Å; N295-L297 HydrophobicContact CB-CD2 4.42Å; N295-L297 PolarHBondContact O-N 2.99Å; N295-L297 WeakPolarHBondContact OD1-CA 3.48Å; N295-L297 PolarHBondContact OD1-N 3.25Å; L297-S357 WeakPolarHBondContact O-CA 3.35Å; L297-E358 HydrophobicContact CB-CB 3.84Å; L297-E358 HydrophobicContact CB-CG 4.09Å; L297-E358 HydrophobicContact CD1-CB 4.35Å; L297-E358 WeakPolarHBondContact CD1-OE2 3.3Å; L297-E358 PolarHBondContact O-N 3.32Å
298	I	91.8	Very high	84.3	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127.2	178.7	-64.1	163.3	0	0	0	109.8	V243 I245 A270 P296 R329 L355 T356	V243-I298 HydrophobicContact CG1-CD1 4.25Å; I245-I298 HydrophobicContact CD1-CD1 3.91Å; I245-I298 HydrophobicContact CG1-CD1 4.39Å; A270-I298 HydrophobicContact CB-CD1 3.33Å; P296-I298 HydrophobicContact CB-CD1 4.49Å; P296-I298 HydrophobicContact CB-CG1 4.3Å; P296-I298 HydrophobicContact CG-CD1 3.94Å; P296-I298 HydrophobicContact CG-CG1 4.11Å; P296-I298 PolarHBondContact O-N 2.69Å; I298-R329 PolarHBondContact O-NH1 3.28Å; I298-R329 VanDerWaalsContact O-NH1 3.07Å; I298-R329 PolarHBondContact O-NH2 2.85Å; I298-L355 HydrophobicContact CG2-CB 4.25Å; I298-T356 WeakPolarHBondContact CA-O 3.34Å
299	L	91.2	Very high	84.7	Confident	78 Å²	78	58.1 Å²	58.1	41%	0.408	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	169.5	171.2	-61	-179.9	0	0	0	110.3	L355 T356 E358	L299-L355 WeakPolarHBondContact O-CA 3.42Å; L299-T356 PolarHBondContact N-O 3.39Å; L299-T356 PolarHBondContact O-N 3.4Å; L299-T356 VanDerWaalsContact O-N 3.14Å; L299-E358 HydrophobicContact CD1-CG 3.61Å; L299-E358 HydrophobicContact CD2-CG 4.49Å; L299-E358 HydrophobicContact CG-CG 3.93Å
300	I	92.7	Very high	85.2	Confident	29 Å²	29	58.9 Å²	58.9	15%	0.149	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.1	174.5	-47.9	-178	0	0	0	106.5	I268 I303 L331 F335 I353 T354 L355	I268-I300 HydrophobicContact CD1-CD1 3.72Å; I268-I300 HydrophobicContact CD1-CG1 4.28Å; I300-I303 HydrophobicContact CB-CB 4.26Å; I300-I303 HydrophobicContact CB-CG2 4.01Å; I300-I303 HydrophobicContact CD1-CD1 4.5Å; I300-I303 HydrophobicContact CG2-CB 3.98Å; I300-I303 HydrophobicContact CG2-CG2 4.27Å; I300-I303 WeakPolarHBondContact O-CG2 3.47Å; I300-L331 HydrophobicContact CD1-CD2 3.59Å; I300-F335 HydrophobicContact CG2-CE1 3.85Å; I300-I353 HydrophobicContact CG2-CG2 4.36Å; I300-T354 WeakPolarHBondContact CA-O 3.28Å; I300-L355 HydrophobicContact CB-CD2 4.26Å; I300-L355 HydrophobicContact CD1-CD2 4.42Å; I300-L355 HydrophobicContact CG1-CD2 3.74Å; I300-L355 HydrophobicContact CG2-CD2 4.15Å
301	D	89.4	Confident	85.5	Confident	87 Å²	87	60.9 Å²	60.9	47%	0.465	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-30.4	-168.4	-68.7	-13.9	0	0	0	112.8	T354 T356	D301-T354 HydrophobicContact CB-CG2 4.13Å; D301-T354 PolarHBondContact N-O 2.92Å; D301-T356 WeakPolarHBondContact OD1-CB 3.29Å; D301-T356 WeakPolarHBondContact OD2-CB 3.48Å; D301-T356 PolarHBondContact OD2-OG1 3.18Å
302	N	92.6	Very high	86.1	Confident	21 Å²	21	60 Å²	60	11%	0.112	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	18.7	-175.1	76.8	-52	0	0	0	114.5	F335 L336 T352 T354	N302-F335 CarbonylContact O-C 3.56Å; N302-F335 WeakPolarHBondContact O-CA 3.35Å; N302-L336 PolarHBondContact ND2-O 3.06Å; N302-L336 PolarHBondContact O-N 3.37Å; N302-T352 PolarHBondContact ND2-O 3.45Å; N302-T354 PolarHBondContact OD1-N 3.31Å
303	I	92.8	Very high	86.7	Confident	49 Å²	49	55.9 Å²	55.9	25%	0.251	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123.2	171.2	-162.5	168.2	0	0	0	110.3	I300 E306	I300-I303 HydrophobicContact CB-CB 4.26Å; I300-I303 HydrophobicContact CB-CG2 4.01Å; I300-I303 HydrophobicContact CD1-CD1 4.5Å; I300-I303 HydrophobicContact CG2-CB 3.98Å; I300-I303 HydrophobicContact CG2-CG2 4.27Å; I300-I303 WeakPolarHBondContact O-CG2 3.47Å; I303-E306 HydrophobicContact CD1-CB 3.9Å; I303-E306 HydrophobicContact CD1-CG 4.39Å
304	L	90.4	Very high	87.2	Confident	114 Å²	114	58.9 Å²	58.9	60%	0.597	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	-36.7	178	178.8	62.4	0	0	0	111.8	I261 V334	I261-L304 HydrophobicContact CG2-CD2 3.92Å; L304-V334 HydrophobicContact CB-CB 4.49Å; L304-V334 HydrophobicContact CB-CG1 4.42Å; L304-V334 HydrophobicContact CD2-CG1 4.34Å; L304-V334 PolarHBondContact N-O 2.87Å
305	S	87.7	Confident	87.3	Confident	67 Å²	67	60.4 Å²	60.4	47%	0.469	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	133.9	178.3	-175.8	0	0	0	0	110.3	G333 V334	S305-G333 CarbonylContact O-C 3.56Å; S305-G333 WeakPolarHBondContact O-CA 3.49Å; S305-V334 PolarHBondContact N-O 2.9Å; S305-V334 PolarHBondContact O-N 2.76Å
306	E	83	Confident	87.2	Confident	84 Å²	84	62.7 Å²	62.7	39%	0.393	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.7	171.6	-174.2	156.8	-140.1	0	0	110	I303 E309 L331	I303-E306 HydrophobicContact CD1-CB 3.9Å; I303-E306 HydrophobicContact CD1-CG 4.39Å; E306-E309 WeakPolarHBondContact OE1-CB 3.46Å; E306-L331 WeakPolarHBondContact OE1-CB 3.28Å
307	S	75.2	Confident	87	Confident	75 Å²	75	67.3 Å²	67.3	52%	0.524	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-36	178.7	68.6	0	0	0	0	112.9	R332	S307-R332 WeakPolarHBondContact CB-O 3.23Å; S307-R332 PolarHBondContact N-O 2.99Å; S307-R332 PolarHBondContact OG-O 3.24Å
308	K	76.8	Confident	86.7	Confident	149 Å²	149	69 Å²	69	65%	0.648	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.7	115.7	176.4	-61.3	-169	179.8	-169.9	0	109.4	R332	K308-R332 PolarHBondContact N-O 2.99Å; K308-R332 PolarHBondContact O-N 3.49Å
309	E	81.8	Confident	86.2	Confident	87 Å²	87	78 Å²	78	41%	0.407	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	142.2	159.9	-159.8	-169.6	-175.7	0	0	108.6	E306 H311 R329 R330	E306-E309 WeakPolarHBondContact OE1-CB 3.46Å; E309-H311 IonicContact OE1-ND1 3.56Å; E309-H311 PolarHBondContact OE1-ND1 3.35Å; E309-R329 WeakPolarHBondContact OE1-CD 3.32Å; E309-R329 IonicContact OE1-NE 3.9Å; E309-R329 IonicContact OE1-NH1 3.68Å; E309-R330 CarbonylContact C-O 3.38Å
310	Q	86.3	Confident	85.7	Confident	84 Å²	84	79.9 Å²	79.9	39%	0.393	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.6	162.7	-43.6	-169.6	-83.7	0	0	108.4	W312 R329 R330	Q310-W312 HydrophobicContact CB-CE3 4.29Å; Q310-W312 HydrophobicContact CB-CH2 3.33Å; Q310-W312 HydrophobicContact CB-CZ2 4Å; Q310-W312 HydrophobicContact CB-CZ3 3.52Å; Q310-W312 HydrophobicContact CG-CH2 4.15Å; Q310-W312 HydrophobicContact CG-CZ3 4.49Å; Q310-R329 CarbonylContact O-C 3.42Å; Q310-R329 WeakPolarHBondContact O-CA 3.37Å; Q310-R330 HydrophobicContact CB-CB 4.34Å; Q310-R330 PolarHBondContact N-O 3.02Å; Q310-R330 PolarHBondContact O-N 3.24Å
311	H	86.3	Confident	85.1	Confident	70 Å²	70	82.2 Å²	82.2	32%	0.324	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.7	-166.8	-175.2	112.2	0	0	0	110.6	E309 E327	E309-H311 IonicContact OE1-ND1 3.56Å; E309-H311 PolarHBondContact OE1-ND1 3.35Å; H311-E327 IonicContact CE1-OE1 3.55Å; H311-E327 PolarHBondContact CE1-OE1 2.88Å
312	W	88.3	Confident	84.9	Confident	110 Å²	110	80.1 Å²	80.1	42%	0.417	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	135.4	176.3	24.1	86.7	0	0	0	111.6	Q310 R328	Q310-W312 HydrophobicContact CB-CE3 4.29Å; Q310-W312 HydrophobicContact CB-CH2 3.33Å; Q310-W312 HydrophobicContact CB-CZ2 4Å; Q310-W312 HydrophobicContact CB-CZ3 3.52Å; Q310-W312 HydrophobicContact CG-CH2 4.15Å; Q310-W312 HydrophobicContact CG-CZ3 4.49Å; W312-R328 VanDerWaalsContact CD1-CB 3.43Å; W312-R328 PolarHBondContact N-O 2.82Å; W312-R328 PolarHBondContact O-N 3.36Å
313	I	88.9	Confident	84.7	Confident	30 Å²	30	79.1 Å²	79.1	15%	0.154	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128	178.6	-49.4	177.4	0	0	0	107.9	L290 Q291 I325 E327	L290-I313 HydrophobicContact CB-CB 4.37Å; L290-I313 HydrophobicContact CB-CG2 3.94Å; L290-I313 HydrophobicContact CD1-CB 4.46Å; L290-I313 HydrophobicContact CD1-CG2 4.06Å; Q291-I313 HydrophobicContact CG-CD1 4.34Å; I313-I325 HydrophobicContact CG2-CG2 3.47Å; I313-I325 VanDerWaalsContact CG2-CG2 3.47Å; I313-E327 HydrophobicContact CG1-CG 4.31Å
314	I	88.3	Confident	84.5	Confident	71 Å²	71	78.1 Å²	78.1	36%	0.364	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.9	-176	-58.4	172.5	0	0	0	108.3	V326	I314-V326 PolarHBondContact N-O 2.89Å; I314-V326 PolarHBondContact O-N 2.65Å
315	T	87.8	Confident	84.5	Confident	33 Å²	33	72.7 Å²	72.7	20%	0.202	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129	168.1	49.9	0	0	0	0	110.6	L277 L290 I323 F324 I325	L277-T315 HydrophobicContact CD1-CG2 4.02Å; L290-T315 HydrophobicContact CD1-CG2 4.07Å; L290-T315 HydrophobicContact CD2-CG2 3.68Å; T315-I323 HydrophobicContact CG2-CG2 4.19Å; T315-F324 CarbonylContact C-O 3.59Å; T315-F324 WeakPolarHBondContact CA-O 3.33Å; T315-I325 HydrophobicContact CG2-CG1 4.48Å
316	E	85.1	Confident	84.7	Confident	52 Å²	52	69.5 Å²	69.5	24%	0.243	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.3	171.3	-68.7	-179.9	179.7	0	0	109.6	K271 F324 V326 R328	K271-E316 IonicContact NZ-OE2 2.73Å; K271-E316 PolarHBondContact NZ-OE2 2.93Å; E316-F324 PolarHBondContact N-O 3.44Å; E316-F324 PolarHBondContact O-N 2.95Å; E316-V326 HydrophobicContact CB-CG2 3.99Å; E316-V326 HydrophobicContact CG-CB 4.47Å; E316-V326 HydrophobicContact CG-CG2 3.79Å; E316-R328 IonicContact OE1-CZ 2.7Å; E316-R328 IonicContact OE1-NH1 3.38Å; E316-R328 PolarHBondContact OE1-NH1 2.87Å; E316-R328 IonicContact OE1-NH2 3.61Å; E316-R328 PolarHBondContact OE1-NH2 3.46Å
317	R	83.5	Confident	85.1	Confident	96 Å²	96	65.7 Å²	65.7	36%	0.362	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.2	175.4	-172	-171.1	-62.7	-91.3	-4.9	108.7	K280 D282 D321	K280-R317 PolarHBondContact O-NH2 3.46Å; D282-R317 IonicContact OD1-CZ 3.81Å; D282-R317 IonicContact OD1-NE 2.73Å; D282-R317 IonicContact OD1-NH2 2.76Å; D282-R317 PolarHBondContact OD1-NH2 3.04Å; R317-D321 WeakPolarHBondContact CD-OD1 3.38Å; R317-D321 IonicContact CZ-OD1 3.73Å; R317-D321 IonicContact NE-OD1 2.77Å; R317-D321 IonicContact NH1-OD1 3.98Å; R317-D321 PolarHBondContact NH1-OD1 3.11Å; R317-D321 IonicContact NH1-OD2 3.53Å
318	N	81.8	Confident	86	Confident	58 Å²	58	64.3 Å²	64.3	31%	0.31	30%	0.3	S	S	.	.			trans	-82.9	166.8	175.9	-166.8	24.4	0	0	0	111.2	N320 D321 E322 F324	N318-N320 PolarHBondContact O-N 3Å; N318-N320 VanDerWaalsContact O-N 3.11Å; N318-D321 PolarHBondContact O-N 3.19Å; N318-E322 HydrophobicContact CB-CB 4.27Å; N318-E322 WeakPolarHBondContact CB-O 3.06Å; N318-E322 PolarHBondContact N-O 3.45Å; N318-E322 PolarHBondContact ND2-OE2 3.02Å; N318-F324 HydrophobicContact CB-CD2 4.15Å; N318-F324 HydrophobicContact CB-CE2 3.89Å
319	E	80.4	Confident	86.7	Confident	193 Å²	193	59.1 Å²	59.1	90%	0.902	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28	176.4	-62.1	-178.7	161.1	0	0	112.9	D321	E319-D321 VanDerWaalsContact C-N 3.28Å; E319-D321 PolarHBondContact O-N 2.95Å
320	N	81.2	Confident	87.3	Confident	119 Å²	119	59.4 Å²	59.4	64%	0.636	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	12.8	177.7	-64.6	-25.5	0	0	0	114.5	N318 E322	N318-N320 PolarHBondContact O-N 3Å; N318-N320 VanDerWaalsContact O-N 3.11Å; N320-E322 HydrophobicContact CB-CG 3.74Å; N320-E322 PolarHBondContact ND2-OE2 2.97Å; N320-E322 PolarHBondContact O-N 3.14Å; N320-E322 VanDerWaalsContact O-N 3.11Å
321	D	79.2	Confident	87.5	Confident	77 Å²	77	55.6 Å²	55.6	41%	0.412	26%	0.256	S	S	.	.	S	Bend	trans	63.1	4.3	-171.1	-154.2	49.1	0	0	0	116	R317 N318 E319	R317-D321 WeakPolarHBondContact CD-OD1 3.38Å; R317-D321 IonicContact CZ-OD1 3.73Å; R317-D321 IonicContact NE-OD1 2.77Å; R317-D321 IonicContact NH1-OD1 3.98Å; R317-D321 PolarHBondContact NH1-OD1 3.11Å; R317-D321 IonicContact NH1-OD2 3.53Å; N318-D321 PolarHBondContact O-N 3.19Å; E319-D321 VanDerWaalsContact C-N 3.28Å; E319-D321 PolarHBondContact O-N 2.95Å
322	E	85.6	Confident	87.9	Confident	44 Å²	44	59.6 Å²	59.6	21%	0.206	27%	0.268	C	S	.	.			trans	-71.8	136.1	177.6	-51.1	179.3	100.5	0	0	111.4	R273 N318 N320 F324	R273-E322 IonicContact CZ-OE1 3.39Å; R273-E322 IonicContact NE-OE1 2.74Å; R273-E322 PolarHBondContact NE-OE1 2.96Å; R273-E322 IonicContact NH2-OE1 3.67Å; R273-E322 PolarHBondContact NH2-OE1 3.31Å; N318-E322 HydrophobicContact CB-CB 4.27Å; N318-E322 WeakPolarHBondContact CB-O 3.06Å; N318-E322 PolarHBondContact N-O 3.45Å; N318-E322 PolarHBondContact ND2-OE2 3.02Å; N320-E322 HydrophobicContact CB-CG 3.74Å; N320-E322 PolarHBondContact ND2-OE2 2.97Å; N320-E322 PolarHBondContact O-N 3.14Å; N320-E322 VanDerWaalsContact O-N 3.11Å; E322-F324 HydrophobicContact CB-CE2 4.04Å
323	I	87.6	Confident	88	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.1	-178.4	-57.9	-161.1	0	0	0	111.6	E274 L277 D278 L285 T315	E274-I323 PolarHBondContact N-O 3Å; L277-I323 HydrophobicContact CB-CB 3.91Å; L277-I323 HydrophobicContact CB-CD1 4.16Å; L277-I323 HydrophobicContact CB-CG1 4.49Å; L277-I323 HydrophobicContact CB-CG2 3.78Å; L277-I323 HydrophobicContact CD1-CG2 4.13Å; L277-I323 VanDerWaalsContact O-CD1 3.29Å; L277-I323 WeakPolarHBondContact O-CD1 3.32Å; D278-I323 PolarHBondContact OD1-N 3.11Å; L285-I323 HydrophobicContact CD1-CD1 3.66Å; L285-I323 HydrophobicContact CD2-CD1 3.81Å; L285-I323 HydrophobicContact CG-CD1 4.33Å; T315-I323 HydrophobicContact CG2-CG2 4.19Å
324	F	89.4	Confident	88.3	Confident	27 Å²	27	54.2 Å²	54.2	12%	0.118	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.6	174	-71.2	-103.5	0	0	0	109.8	K271 W272 R273 T315 E316 N318 E322	K271-F324 HydrophobicContact CG-CB 4.04Å; K271-F324 HydrophobicContact CG-CD1 3.85Å; K271-F324 HydrophobicContact CG-CG 4.29Å; W272-F324 CarbonylContact O-C 3.51Å; W272-F324 VanDerWaalsContact O-CA 3.23Å; W272-F324 WeakPolarHBondContact O-CA 3.21Å; R273-F324 HydrophobicContact CB-CD1 4.19Å; R273-F324 HydrophobicContact CB-CE1 3.87Å; R273-F324 HydrophobicContact CB-CZ 4.15Å; R273-F324 HydrophobicContact CG-CE1 4.4Å; R273-F324 HydrophobicContact CG-CE2 4.41Å; R273-F324 HydrophobicContact CG-CZ 4.19Å; T315-F324 CarbonylContact C-O 3.59Å; T315-F324 WeakPolarHBondContact CA-O 3.33Å; E316-F324 PolarHBondContact N-O 3.44Å; E316-F324 PolarHBondContact O-N 2.95Å; N318-F324 HydrophobicContact CB-CD2 4.15Å; N318-F324 HydrophobicContact CB-CE2 3.89Å; E322-F324 HydrophobicContact CB-CE2 4.04Å
325	I	90.3	Very high	88.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132.1	164.6	-61.9	176.5	0	0	0	107.3	K271 W272 E274 L277 C293 I313 T315	K271-I325 WeakPolarHBondContact CA-O 3.34Å; W272-I325 HydrophobicContact CD2-CB 4.25Å; W272-I325 HydrophobicContact CH2-CB 4.47Å; W272-I325 HydrophobicContact CH2-CG2 3.75Å; W272-I325 HydrophobicContact CZ2-CB 3.87Å; W272-I325 HydrophobicContact CZ2-CD1 4.44Å; W272-I325 HydrophobicContact CZ2-CG2 3.45Å; W272-I325 VanDerWaalsContact CZ2-CG2 3.45Å; W272-I325 HydrophobicContact CZ3-CG2 4.4Å; W272-I325 PolarHBondContact N-O 3.42Å; W272-I325 PolarHBondContact O-N 3.24Å; E274-I325 HydrophobicContact CB-CD1 3.83Å; E274-I325 HydrophobicContact CB-CG1 3.96Å; E274-I325 HydrophobicContact CG-CD1 3.94Å; L277-I325 HydrophobicContact CD1-CD1 4.19Å; L277-I325 HydrophobicContact CD1-CG1 4.14Å; C293-I325 HydrophobicContact CB-CD1 3.65Å; I313-I325 HydrophobicContact CG2-CG2 3.47Å; I313-I325 VanDerWaalsContact CG2-CG2 3.47Å; T315-I325 HydrophobicContact CG2-CG1 4.48Å
326	V	91.8	Very high	88.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	100.5	-177.8	-174.6	0	0	0	0	108.2	Q269 A270 K271 I314 E316 R328	Q269-V326 HydrophobicContact CG-CG1 3.65Å; A270-V326 WeakPolarHBondContact O-CA 3.32Å; K271-V326 HydrophobicContact CB-CG2 4.13Å; K271-V326 HydrophobicContact CD-CG2 3.82Å; K271-V326 HydrophobicContact CG-CG2 3.83Å; I314-V326 PolarHBondContact N-O 2.89Å; I314-V326 PolarHBondContact O-N 2.65Å; E316-V326 HydrophobicContact CB-CG2 3.99Å; E316-V326 HydrophobicContact CG-CB 4.47Å; E316-V326 HydrophobicContact CG-CG2 3.79Å; V326-R328 HydrophobicContact CG1-CG 4.16Å
327	E	92.1	Very high	89.3	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.019	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.1	171.8	-174.9	176.8	135.4	0	0	108.8	Q269 A270 W272 N295 H311 I313 R329	Q269-E327 CarbonylContact C-O 3.56Å; Q269-E327 WeakPolarHBondContact CA-O 3.4Å; A270-E327 PolarHBondContact N-O 3.16Å; A270-E327 PolarHBondContact O-N 2.83Å; W272-E327 HydrophobicContact CH2-CB 3.84Å; W272-E327 HydrophobicContact CZ3-CB 3.66Å; N295-E327 PolarHBondContact ND2-OE2 2.98Å; H311-E327 IonicContact CE1-OE1 3.55Å; H311-E327 PolarHBondContact CE1-OE1 2.88Å; I313-E327 HydrophobicContact CG1-CG 4.31Å; E327-R329 IonicContact OE1-CZ 3.95Å; E327-R329 IonicContact OE1-NE 3.24Å; E327-R329 PolarHBondContact OE1-NE 3.06Å; E327-R329 IonicContact OE1-NH2 2.69Å; E327-R329 PolarHBondContact OE1-NH2 3.4Å
328	R	93.1	Very high	89.7	Confident	46 Å²	46	52.8 Å²	52.8	17%	0.174	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123	-178.5	-80.4	170	170.9	140.7	13.8	108.2	F267 I268 Q269 W312 E316 V326	F267-R328 HydrophobicContact CE1-CG 4.48Å; F267-R328 HydrophobicContact CE2-CB 4.05Å; F267-R328 HydrophobicContact CE2-CG 4.16Å; F267-R328 HydrophobicContact CZ-CB 4.05Å; F267-R328 HydrophobicContact CZ-CG 3.64Å; I268-R328 WeakPolarHBondContact O-CA 3.15Å; Q269-R328 HydrophobicContact CB-CG 4.19Å; Q269-R328 HydrophobicContact CG-CG 3.98Å; Q269-R328 VanDerWaalsContact OE1-CZ 3.26Å; W312-R328 VanDerWaalsContact CD1-CB 3.43Å; W312-R328 PolarHBondContact N-O 2.82Å; W312-R328 PolarHBondContact O-N 3.36Å; E316-R328 IonicContact OE1-CZ 2.7Å; E316-R328 IonicContact OE1-NH1 3.38Å; E316-R328 PolarHBondContact OE1-NH1 2.87Å; E316-R328 IonicContact OE1-NH2 3.61Å; E316-R328 PolarHBondContact OE1-NH2 3.46Å; V326-R328 HydrophobicContact CG1-CG 4.16Å
329	R	92.2	Very high	90.1	Very high	39 Å²	39	50.4 Å²	50.4	15%	0.147	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.1	177.1	-59.6	179.8	-172.3	-174.5	18.1	109.1	F267 I268 I298 E309 Q310 E327	F267-R329 CarbonylContact C-O 3.52Å; F267-R329 WeakPolarHBondContact CA-O 3.32Å; I268-R329 PolarHBondContact N-O 2.93Å; I268-R329 PolarHBondContact O-N 3.42Å; I298-R329 PolarHBondContact O-NH1 3.28Å; I298-R329 VanDerWaalsContact O-NH1 3.07Å; I298-R329 PolarHBondContact O-NH2 2.85Å; E309-R329 WeakPolarHBondContact OE1-CD 3.32Å; E309-R329 IonicContact OE1-NE 3.9Å; E309-R329 IonicContact OE1-NH1 3.68Å; Q310-R329 CarbonylContact O-C 3.42Å; Q310-R329 WeakPolarHBondContact O-CA 3.37Å; E327-R329 IonicContact OE1-CZ 3.95Å; E327-R329 IonicContact OE1-NE 3.24Å; E327-R329 PolarHBondContact OE1-NE 3.06Å; E327-R329 IonicContact OE1-NH2 2.69Å; E327-R329 PolarHBondContact OE1-NH2 3.4Å
330	R	93.3	Very high	90.5	Very high	94 Å²	94	46.2 Å²	46.2	36%	0.355	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.6	160.6	-176.3	-176.8	179.8	-176.9	2.7	108.1	L250 D265 A266 E309 Q310	L250-R330 HydrophobicContact CD1-CG 4.08Å; D265-R330 IonicContact OD1-CZ 3.46Å; D265-R330 IonicContact OD1-NE 3.78Å; D265-R330 PolarHBondContact OD1-NE 3.32Å; D265-R330 IonicContact OD1-NH2 2.58Å; D265-R330 IonicContact OD2-CZ 3.91Å; D265-R330 IonicContact OD2-NE 3.49Å; D265-R330 PolarHBondContact OD2-NE 2.96Å; D265-R330 IonicContact OD2-NH2 2.85Å; D265-R330 PolarHBondContact OD2-NH2 2.89Å; A266-R330 WeakPolarHBondContact O-CA 3.39Å; E309-R330 CarbonylContact C-O 3.38Å; Q310-R330 HydrophobicContact CB-CB 4.34Å; Q310-R330 PolarHBondContact N-O 3.02Å; Q310-R330 PolarHBondContact O-N 3.24Å
331	L	92.1	Very high	90.8	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	147.5	176.9	71.3	96.7	0	0	0	109.8	D265 A266 I268 I300 E306 F335	D265-L331 WeakPolarHBondContact CA-O 3.28Å; A266-L331 HydrophobicContact CB-CD1 4.21Å; A266-L331 HydrophobicContact CB-CD2 4.12Å; A266-L331 HydrophobicContact CB-CG 4.04Å; A266-L331 PolarHBondContact N-O 3.39Å; A266-L331 PolarHBondContact O-N 2.86Å; I268-L331 HydrophobicContact CD1-CD2 3.42Å; I268-L331 VanDerWaalsContact CD1-CD2 3.42Å; I268-L331 HydrophobicContact CG1-CD2 4.01Å; I300-L331 HydrophobicContact CD1-CD2 3.59Å; E306-L331 WeakPolarHBondContact OE1-CB 3.28Å; L331-F335 HydrophobicContact CD1-CE2 3.62Å; L331-F335 HydrophobicContact CD1-CZ 3.44Å; L331-F335 VanDerWaalsContact CD1-CZ 3.44Å; L331-F335 HydrophobicContact CD2-CZ 4.31Å
332	R	93	Very high	91.3	Very high	154 Å²	154	39.8 Å²	39.8	58%	0.581	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	111.3	161.9	-177.6	-179.7	169.3	-179.8	-6.2	108.6	A264 S307 K308	A264-R332 WeakPolarHBondContact O-CA 3.02Å; S307-R332 WeakPolarHBondContact CB-O 3.23Å; S307-R332 PolarHBondContact N-O 2.99Å; S307-R332 PolarHBondContact OG-O 3.24Å; K308-R332 PolarHBondContact N-O 2.99Å; K308-R332 PolarHBondContact O-N 3.49Å
333	G	92.1	Very high	91.4	Very high	5 Å²	5	38.3 Å²	38.3	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	176.3	-169.4	0	0	0	0	0	114.8	A264 S305	A264-G333 PolarHBondContact N-O 3.04Å; A264-G333 PolarHBondContact O-N 3.42Å; S305-G333 CarbonylContact O-C 3.56Å; S305-G333 WeakPolarHBondContact O-CA 3.49Å
334	V	94.8	Very high	91.4	Very high	23 Å²	23	38.4 Å²	38.4	14%	0.139	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.4	170.3	-172.9	0	0	0	0	107.3	I261 L304 S305	I261-V334 HydrophobicContact CB-CG1 3.87Å; I261-V334 HydrophobicContact CD1-CG1 3.86Å; I261-V334 HydrophobicContact CG1-CG1 4.27Å; I261-V334 HydrophobicContact CG2-CG1 4.21Å; L304-V334 HydrophobicContact CB-CB 4.49Å; L304-V334 HydrophobicContact CB-CG1 4.42Å; L304-V334 HydrophobicContact CD2-CG1 4.34Å; L304-V334 PolarHBondContact N-O 2.87Å; S305-V334 PolarHBondContact N-O 2.9Å; S305-V334 PolarHBondContact O-N 2.76Å
335	F	94.8	Very high	91.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141	177.8	-70.5	-87.7	0	0	0	110.3	I261 Y262 A264 I300 N302 L331 I353	I261-F335 CarbonylContact C-O 3.57Å; I261-F335 WeakPolarHBondContact CA-O 3.28Å; I261-F335 WeakPolarHBondContact CB-O 3.45Å; Y262-F335 HydrophobicContact CD1-CB 3.78Å; Y262-F335 HydrophobicContact CD2-CB 4.43Å; Y262-F335 HydrophobicContact CE1-CB 3.36Å; Y262-F335 HydrophobicContact CE1-CG 4.16Å; Y262-F335 HydrophobicContact CE2-CB 4.06Å; Y262-F335 AromaticContact CE2-CD2 3.93Å; Y262-F335 HydrophobicContact CE2-CD2 3.93Å; Y262-F335 HydrophobicContact CE2-CG 4.19Å; Y262-F335 HydrophobicContact CG-CB 4.3Å; Y262-F335 AromaticContact CZ-CG 3.79Å; Y262-F335 PolarHBondContact N-O 3.48Å; Y262-F335 PolarHBondContact O-N 3.27Å; A264-F335 HydrophobicContact CB-CD2 4.05Å; A264-F335 HydrophobicContact CB-CE2 3.94Å; I300-F335 HydrophobicContact CG2-CE1 3.85Å; N302-F335 CarbonylContact O-C 3.56Å; N302-F335 WeakPolarHBondContact O-CA 3.35Å; L331-F335 HydrophobicContact CD1-CE2 3.62Å; L331-F335 HydrophobicContact CD1-CZ 3.44Å; L331-F335 VanDerWaalsContact CD1-CZ 3.44Å; L331-F335 HydrophobicContact CD2-CZ 4.31Å; F335-I353 HydrophobicContact CD1-CG1 4.19Å; F335-I353 HydrophobicContact CE1-CB 4.31Å; F335-I353 HydrophobicContact CE1-CD1 4.12Å; F335-I353 HydrophobicContact CE1-CG1 3.74Å; F335-I353 HydrophobicContact CE1-CG2 3.97Å; F335-I353 HydrophobicContact CE2-CD1 4.18Å; F335-I353 HydrophobicContact CE2-CG1 4.44Å; F335-I353 HydrophobicContact CZ-CD1 3.72Å; F335-I353 HydrophobicContact CZ-CG1 3.87Å; F335-I353 HydrophobicContact CZ-CG2 4.38Å
336	L	94.1	Very high	91.1	Very high	89 Å²	89	37.2 Å²	37.2	47%	0.466	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.2	170	-173.2	73.8	0	0	0	109.2	I261 N302	I261-L336 HydrophobicContact CG2-CD1 4.12Å; N302-L336 PolarHBondContact ND2-O 3.06Å; N302-L336 PolarHBondContact O-N 3.37Å
337	E	93.1	Very high	91.1	Very high	24 Å²	24	37.2 Å²	37.2	11%	0.112	18%	0.175	C	C	.	.			trans	-151.2	128.1	178.7	-169.6	59.2	-97.9	0	0	112.1	E260 Y262 L339 D350 T352	E260-E337 CarbonylContact C-O 3.56Å; E260-E337 WeakPolarHBondContact CB-O 3.33Å; E260-E337 PolarHBondContact O-N 3.34Å; E260-E337 VanDerWaalsContact O-O 3.11Å; Y262-E337 HydrophobicContact CD1-CB 3.92Å; Y262-E337 HydrophobicContact CE1-CB 4.02Å; E337-L339 HydrophobicContact CB-CD2 4.43Å; E337-L339 HydrophobicContact CG-CD2 4.2Å; E337-L339 PolarHBondContact O-N 3.21Å; E337-D350 VanDerWaalsContact CD-O 3.23Å; E337-D350 WeakPolarHBondContact CG-O 3.15Å; E337-T352 WeakPolarHBondContact OE2-CA 3.49Å; E337-T352 WeakPolarHBondContact OE2-CB 3.3Å; E337-T352 VanDerWaalsContact OE2-CG2 3.27Å; E337-T352 WeakPolarHBondContact OE2-CG2 3.47Å; E337-T352 PolarHBondContact OE2-N 3.13Å; E337-T352 PolarHBondContact OE2-OG1 3.38Å
338	T	91	Very high	91	Very high	109 Å²	109	37.3 Å²	37.3	67%	0.669	18%	0.176	S	C	*	.			trans	-83	114.4	-176.9	52.7	0	0	0	0	110.9
339	L	90.3	Very high	91	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.042	17%	0.169	C	C	.	.			trans	-91.8	125.1	-168.5	-56.1	-178.6	0	0	0	112.6	T257 E337 L341 Q349 Y483	T257-L339 HydrophobicContact CG2-CD1 3.96Å; E337-L339 HydrophobicContact CB-CD2 4.43Å; E337-L339 HydrophobicContact CG-CD2 4.2Å; E337-L339 PolarHBondContact O-N 3.21Å; L339-L341 HydrophobicContact CB-CD2 4.32Å; L339-L341 HydrophobicContact CB-CG 4.25Å; L339-L341 PolarHBondContact O-N 3.37Å; L339-Q349 HydrophobicContact CD2-CB 4.09Å; L339-Q349 HydrophobicContact CD2-CG 4.07Å; L339-Y483 PolarHBondContact O-OH 2.8Å
340	E	89	Confident	91	Very high	104 Å²	104	36 Å²	36	49%	0.486	18%	0.175	S	C	.	.			trans	-80.4	84.1	176.8	-72.3	-162.8	172.6	0	0	111.5	N342 Q349 R662	E340-N342 PolarHBondContact O-N 3.28Å; E340-Q349 PolarHBondContact O-NE2 2.85Å; E340-R662 IonicContact OE2-CZ 3.63Å; E340-R662 IonicContact OE2-NH1 3.46Å; E340-R662 PolarHBondContact OE2-NH1 2.94Å; E340-R662 IonicContact OE2-NH2 3.97Å
341	L	88.9	Confident	91	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-82.4	7.2	-176.9	-58.7	170.8	0	0	0	114	L339 D343 F344 L478 P479 I481 Y483 T485	L339-L341 HydrophobicContact CB-CD2 4.32Å; L339-L341 HydrophobicContact CB-CG 4.25Å; L339-L341 PolarHBondContact O-N 3.37Å; L341-D343 PolarHBondContact O-N 3.41Å; L341-D343 VanDerWaalsContact O-N 3.16Å; L341-F344 HydrophobicContact CB-CB 4.4Å; L341-F344 HydrophobicContact CD2-CD2 3.96Å; L341-F344 WeakPolarHBondContact O-CB 3.43Å; L341-F344 PolarHBondContact O-N 3.47Å; L341-L478 HydrophobicContact CD1-CD2 4.23Å; L341-P479 VanDerWaalsContact CD1-CD 3.49Å; L341-P479 HydrophobicContact CD1-CG 3.38Å; L341-I481 HydrophobicContact CD1-CG2 4.39Å; L341-Y483 HydrophobicContact CB-CE2 4.29Å; L341-Y483 PolarHBondContact N-OH 3.13Å; L341-T485 VanDerWaalsContact O-CG2 3.29Å; L341-T485 WeakPolarHBondContact O-CG2 3.29Å
342	N	87.9	Confident	91.1	Very high	61 Å²	61	32.4 Å²	32.4	33%	0.326	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-50.8	-40.9	178.6	-81	-64	0	0	0	112.9	E340 Y483 T485 Y486	E340-N342 PolarHBondContact O-N 3.28Å; N342-Y483 HydrophobicContact CB-CE2 4.44Å; N342-Y483 VanDerWaalsContact OD1-CD2 3.23Å; N342-Y483 WeakPolarHBondContact OD1-CD2 3.48Å; N342-T485 WeakPolarHBondContact O-CA 3.47Å; N342-Y486 PolarHBondContact O-N 3.35Å
343	D	87.6	Confident	91.2	Very high	14 Å²	14	25.1 Å²	25.1	8%	0.075	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-92.2	3.1	-174.9	-67.9	33.3	0	0	0	113.2	L341 L346 D347 Y486 R662	L341-D343 PolarHBondContact O-N 3.41Å; L341-D343 VanDerWaalsContact O-N 3.16Å; D343-L346 CarbonylContact O-C 3.58Å; D343-L346 WeakPolarHBondContact O-CA 3.46Å; D343-L346 WeakPolarHBondContact O-CB 3.4Å; D343-L346 PolarHBondContact O-N 3.42Å; D343-D347 HydrophobicContact CB-CB 4.31Å; D343-D347 PolarHBondContact O-N 3.43Å; D343-Y486 HydrophobicContact CB-CD2 3.94Å; D343-Y486 HydrophobicContact CB-CE2 3.66Å; D343-Y486 WeakPolarHBondContact O-CD2 3.42Å; D343-R662 IonicContact OD1-CZ 3.2Å; D343-R662 IonicContact OD1-NE 3.56Å; D343-R662 IonicContact OD1-NH2 3.69Å; D343-R662 PolarHBondContact OD1-NH2 3.03Å; D343-R662 IonicContact OD2-CZ 2.69Å; D343-R662 IonicContact OD2-NE 2.63Å; D343-R662 PolarHBondContact OD2-NE 3Å; D343-R662 IonicContact OD2-NH2 3.7Å; D343-R662 PolarHBondContact OD2-NH2 2.86Å
344	F	87.8	Confident	91.3	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	134.4	-173.9	-174.7	-79.3	0	0	0	112.1	L341 R422 F427 L478 T485 M487	L341-F344 HydrophobicContact CB-CB 4.4Å; L341-F344 HydrophobicContact CD2-CD2 3.96Å; L341-F344 WeakPolarHBondContact O-CB 3.43Å; L341-F344 PolarHBondContact O-N 3.47Å; F344-R422 VanDerWaalsContact CE2-CZ 3.44Å; F344-F427 HydrophobicContact CE1-CD1 4.05Å; F344-F427 AromaticContact CE1-CE1 3.56Å; F344-F427 HydrophobicContact CE1-CE1 3.56Å; F344-F427 AromaticContact CE1-CZ 3.9Å; F344-F427 HydrophobicContact CE1-CZ 3.9Å; F344-F427 HydrophobicContact CE2-CZ 4.35Å; F344-F427 HydrophobicContact CZ-CD1 4.42Å; F344-F427 AromaticContact CZ-CE1 3.54Å; F344-F427 HydrophobicContact CZ-CE1 3.54Å; F344-F427 HydrophobicContact CZ-CE2 4.22Å; F344-F427 AromaticContact CZ-CZ 3.42Å; F344-F427 HydrophobicContact CZ-CZ 3.42Å; F344-F427 VanDerWaalsContact CZ-CZ 3.42Å; F344-L478 HydrophobicContact CD1-CD1 4.45Å; F344-L478 HydrophobicContact CD1-CD2 3.91Å; F344-L478 HydrophobicContact CD2-CD2 3.75Å; F344-L478 HydrophobicContact CE1-CD2 3.89Å; F344-L478 HydrophobicContact CE1-CG 4.35Å; F344-L478 HydrophobicContact CE2-CD2 3.69Å; F344-L478 HydrophobicContact CG-CD2 3.84Å; F344-L478 HydrophobicContact CZ-CD2 3.75Å; F344-L478 HydrophobicContact CZ-CG 4.46Å; F344-T485 HydrophobicContact CB-CG2 4.2Å; F344-M487 HydrophobicContact CD1-CB 4.47Å; F344-M487 HydrophobicContact CD1-CE 3.55Å; F344-M487 HydrophobicContact CD1-SD 4.2Å; F344-M487 HydrophobicContact CE1-CE 3.37Å; F344-M487 HydrophobicContact CE1-SD 3.87Å; F344-M487 PolarHBondContact O-N 3.28Å
345	P	87.9	Confident	91.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.1	17.9	8.8	39.8	-36.8	0	0	0	114	D347 P424 F427 F432	P345-D347 VanDerWaalsContact C-N 3.35Å; P345-P424 HydrophobicContact CG-CB 4.45Å; P345-F427 HydrophobicContact CB-CB 3.91Å; P345-F427 HydrophobicContact CB-CD1 4.08Å; P345-F427 HydrophobicContact CB-CD2 3.43Å; P345-F427 VanDerWaalsContact CB-CD2 3.43Å; P345-F427 HydrophobicContact CB-CE2 3.95Å; P345-F427 HydrophobicContact CB-CG 3.51Å; P345-F427 HydrophobicContact CB-CZ 4.48Å; P345-F427 HydrophobicContact CG-CB 3.6Å; P345-F427 HydrophobicContact CG-CD1 4.45Å; P345-F427 HydrophobicContact CG-CD2 4.12Å; P345-F427 HydrophobicContact CG-CG 3.8Å; P345-F432 HydrophobicContact CG-CE2 3.95Å
346	L	87.2	Confident	91.1	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	14%	0.137	C	C	.	.	S	Bend	trans	-99.8	18.3	177.4	-75.5	166.5	0	0	0	112.2	D343 P424 L655 A659 R663	D343-L346 CarbonylContact O-C 3.58Å; D343-L346 WeakPolarHBondContact O-CA 3.46Å; D343-L346 WeakPolarHBondContact O-CB 3.4Å; D343-L346 PolarHBondContact O-N 3.42Å; L346-P424 HydrophobicContact CD2-CB 3.81Å; L346-P424 HydrophobicContact CD2-CG 3.63Å; L346-P424 HydrophobicContact CG-CB 4.28Å; L346-L655 HydrophobicContact CD1-CD1 4.08Å; L346-L655 HydrophobicContact CD1-CD2 3.67Å; L346-L655 HydrophobicContact CD1-CG 3.53Å; L346-A659 HydrophobicContact CB-CB 3.93Å; L346-A659 HydrophobicContact CD1-CB 3.55Å; L346-A659 HydrophobicContact CG-CB 4.4Å; L346-R663 VanDerWaalsContact C-NE 3.33Å; L346-R663 PolarHBondContact O-NE 3.01Å; L346-R663 PolarHBondContact O-NH2 3.01Å
347	D	90.2	Very high	91	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.			trans	-65.2	155.1	178.4	57.5	-53.2	0	0	0	113.5	D343 P345 Q349 R422 R663	D343-D347 HydrophobicContact CB-CB 4.31Å; D343-D347 PolarHBondContact O-N 3.43Å; P345-D347 VanDerWaalsContact C-N 3.35Å; D347-Q349 PolarHBondContact OD2-NE2 2.7Å; D347-R422 PolarHBondContact O-N 3.36Å; D347-R422 IonicContact OD1-CZ 3.61Å; D347-R422 IonicContact OD1-NE 3.55Å; D347-R422 PolarHBondContact OD1-NE 3.49Å; D347-R422 IonicContact OD1-NH2 3.97Å; D347-R422 IonicContact OD2-CZ 3.79Å; D347-R422 IonicContact OD2-NE 3.42Å; D347-R422 PolarHBondContact OD2-NE 3.28Å; D347-R422 IonicContact OD2-NH2 2.74Å; D347-R422 PolarHBondContact OD2-NH2 3.41Å; D347-R663 PolarHBondContact O-NH2 2.93Å
348	V	91.1	Very high	90.7	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.036	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.6	164.4	-174.3	0	0	0	0	105.7	R419 A420 A421 R663 M666	V348-R419 HydrophobicContact CG1-CB 4.13Å; V348-A420 CarbonylContact C-O 3.59Å; V348-A420 WeakPolarHBondContact CA-O 3.26Å; V348-A421 HydrophobicContact CG1-CB 4.28Å; V348-A421 HydrophobicContact CG2-CB 3.89Å; V348-R663 HydrophobicContact CG2-CG 4.01Å; V348-M666 HydrophobicContact CG1-CG 4.2Å; V348-M666 HydrophobicContact CG2-CG 4.37Å
349	Q	92.8	Very high	90.5	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.019	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144	-178.6	-58.7	-55.2	-23.1	0	0	110.9	L339 E340 D347 W387 R419 A420	L339-Q349 HydrophobicContact CD2-CB 4.09Å; L339-Q349 HydrophobicContact CD2-CG 4.07Å; E340-Q349 PolarHBondContact O-NE2 2.85Å; D347-Q349 PolarHBondContact OD2-NE2 2.7Å; Q349-W387 HydrophobicContact CB-CH2 4.4Å; Q349-W387 HydrophobicContact CB-CZ3 4.31Å; Q349-W387 HydrophobicContact CG-CH2 3.73Å; Q349-W387 HydrophobicContact CG-CZ3 3.94Å; Q349-R419 CarbonylContact O-C 3.56Å; Q349-R419 WeakPolarHBondContact O-CA 3.34Å; Q349-A420 PolarHBondContact N-O 3.39Å; Q349-A420 PolarHBondContact O-N 3.08Å
350	D	92.6	Very high	90.3	Very high	52 Å²	52	20.7 Å²	20.7	28%	0.278	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	104.8	177.7	-69.7	-5.8	0	0	0	108.7	E337 C418 R419	E337-D350 VanDerWaalsContact CD-O 3.23Å; E337-D350 WeakPolarHBondContact CG-O 3.15Å; D350-C418 CarbonylContact C-O 3.5Å; D350-C418 WeakPolarHBondContact CA-O 3.23Å; D350-R419 VanDerWaalsContact OD1-CD 3.3Å; D350-R419 WeakPolarHBondContact OD1-CD 3.44Å; D350-R419 WeakPolarHBondContact OD1-CG 3.42Å; D350-R419 IonicContact OD1-CZ 3.34Å; D350-R419 VanDerWaalsContact OD1-CZ 3.28Å; D350-R419 IonicContact OD1-NE 3.17Å; D350-R419 IonicContact OD1-NH1 2.73Å; D350-R419 PolarHBondContact OD1-NH1 2.92Å; D350-R419 IonicContact OD2-CZ 3.95Å; D350-R419 IonicContact OD2-NH1 2.82Å; D350-R419 PolarHBondContact OD2-NH1 3.08Å; D350-R419 IonicContact OD2-NH2 2.7Å; D350-R419 PolarHBondContact OD2-NH2 2.82Å
351	L	93.5	Very high	90.2	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	107.4	177.4	-53.9	178.8	0	0	0	108.6	I252 I255 Y262 C418 A420	I252-L351 HydrophobicContact CD1-CD1 4.26Å; I252-L351 HydrophobicContact CG2-CD1 4.27Å; I255-L351 HydrophobicContact CD1-CD1 3.81Å; I255-L351 HydrophobicContact CG1-CD1 4.34Å; I255-L351 HydrophobicContact CG2-CD2 4.45Å; Y262-L351 HydrophobicContact CD1-CB 4.36Å; Y262-L351 HydrophobicContact CD1-CD2 3.83Å; Y262-L351 HydrophobicContact CD2-CD1 4.4Å; Y262-L351 HydrophobicContact CE1-CB 4Å; Y262-L351 HydrophobicContact CE1-CD2 4.29Å; Y262-L351 HydrophobicContact CE2-CB 4.22Å; Y262-L351 HydrophobicContact CG-CD2 4.01Å; L351-C418 PolarHBondContact N-O 3.26Å; L351-C418 PolarHBondContact O-N 3.45Å; L351-A420 HydrophobicContact CD1-CB 4.06Å; L351-A420 HydrophobicContact CG-CB 4.45Å
352	T	94.3	Very high	90.1	Very high	22 Å²	22	23.1 Å²	23.1	14%	0.135	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.2	-174.3	81.7	0	0	0	0	112.2	Y262 N302 E337 V416 T417	Y262-T352 VanDerWaalsContact OH-C 3.28Å; Y262-T352 PolarHBondContact OH-O 2.93Å; N302-T352 PolarHBondContact ND2-O 3.45Å; E337-T352 WeakPolarHBondContact OE2-CA 3.49Å; E337-T352 WeakPolarHBondContact OE2-CB 3.3Å; E337-T352 VanDerWaalsContact OE2-CG2 3.27Å; E337-T352 WeakPolarHBondContact OE2-CG2 3.47Å; E337-T352 PolarHBondContact OE2-N 3.13Å; E337-T352 PolarHBondContact OE2-OG1 3.38Å; T352-V416 WeakPolarHBondContact CA-O 3.26Å; T352-T417 HydrophobicContact CG2-CG2 3.43Å; T352-T417 VanDerWaalsContact CG2-CG2 3.43Å
353	I	94.4	Very high	90.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.5	162.3	-63.7	-178.1	0	0	0	106.4	V247 F249 Y262 A266 I300 F335 L355 S415 V416	V247-I353 HydrophobicContact CG1-CD1 4.23Å; F249-I353 HydrophobicContact CD1-CD1 4.05Å; F249-I353 HydrophobicContact CE1-CD1 3.47Å; F249-I353 VanDerWaalsContact CE1-CD1 3.47Å; F249-I353 HydrophobicContact CE1-CG1 3.77Å; F249-I353 HydrophobicContact CZ-CD1 3.96Å; F249-I353 HydrophobicContact CZ-CG1 4.02Å; Y262-I353 WeakPolarHBondContact OH-CG1 3.27Å; A266-I353 HydrophobicContact CB-CD1 3.68Å; I300-I353 HydrophobicContact CG2-CG2 4.36Å; F335-I353 HydrophobicContact CD1-CG1 4.19Å; F335-I353 HydrophobicContact CE1-CB 4.31Å; F335-I353 HydrophobicContact CE1-CD1 4.12Å; F335-I353 HydrophobicContact CE1-CG1 3.74Å; F335-I353 HydrophobicContact CE1-CG2 3.97Å; F335-I353 HydrophobicContact CE2-CD1 4.18Å; F335-I353 HydrophobicContact CE2-CG1 4.44Å; F335-I353 HydrophobicContact CZ-CD1 3.72Å; F335-I353 HydrophobicContact CZ-CG1 3.87Å; F335-I353 HydrophobicContact CZ-CG2 4.38Å; I353-L355 HydrophobicContact CG2-CD2 3.85Å; I353-L355 HydrophobicContact CG2-CG 4.25Å; I353-S415 WeakPolarHBondContact O-CA 3.35Å; I353-V416 PolarHBondContact N-O 3.43Å; I353-V416 PolarHBondContact O-N 3.47Å
354	T	94	Very high	90.2	Very high	20 Å²	20	20.3 Å²	20.3	12%	0.123	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120	-177.6	-66.2	0	0	0	0	110.7	I300 D301 N302 C413 S415	I300-T354 WeakPolarHBondContact CA-O 3.28Å; D301-T354 HydrophobicContact CB-CG2 4.13Å; D301-T354 PolarHBondContact N-O 2.92Å; N302-T354 PolarHBondContact OD1-N 3.31Å; T354-C413 WeakPolarHBondContact CG2-SG 3.41Å; T354-S415 PolarHBondContact OG1-OG 2.85Å
355	L	93.9	Very high	90.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127	-177.4	-54	-179.6	0	0	0	110.2	I245 V247 I268 I298 L299 I300 I353 C413 I414	I245-L355 HydrophobicContact CD1-CD1 4.48Å; I245-L355 HydrophobicContact CG2-CD1 3.81Å; V247-L355 HydrophobicContact CG2-CD1 3.62Å; I268-L355 HydrophobicContact CD1-CD1 4.17Å; I268-L355 HydrophobicContact CD1-CD2 3.61Å; I268-L355 HydrophobicContact CG1-CD1 4.32Å; I268-L355 HydrophobicContact CG2-CD1 3.75Å; I298-L355 HydrophobicContact CG2-CB 4.25Å; L299-L355 WeakPolarHBondContact O-CA 3.42Å; I300-L355 HydrophobicContact CB-CD2 4.26Å; I300-L355 HydrophobicContact CD1-CD2 4.42Å; I300-L355 HydrophobicContact CG1-CD2 3.74Å; I300-L355 HydrophobicContact CG2-CD2 4.15Å; I353-L355 HydrophobicContact CG2-CD2 3.85Å; I353-L355 HydrophobicContact CG2-CG 4.25Å; L355-C413 CarbonylContact O-C 3.46Å; L355-C413 WeakPolarHBondContact O-CA 3.42Å; L355-I414 HydrophobicContact CB-CG2 3.93Å; L355-I414 PolarHBondContact N-O 3.45Å; L355-I414 PolarHBondContact O-N 3.29Å
356	T	92.5	Very high	90.6	Very high	12 Å²	12	23.2 Å²	23.2	7%	0.074	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.8	-175.2	-65.8	0	0	0	0	109.8	I298 L299 D301 H411 P412	I298-T356 WeakPolarHBondContact CA-O 3.34Å; L299-T356 PolarHBondContact N-O 3.39Å; L299-T356 PolarHBondContact O-N 3.4Å; L299-T356 VanDerWaalsContact O-N 3.14Å; D301-T356 WeakPolarHBondContact OD1-CB 3.29Å; D301-T356 WeakPolarHBondContact OD2-CB 3.48Å; D301-T356 PolarHBondContact OD2-OG1 3.18Å; T356-H411 HydrophobicContact CG2-CB 4Å; T356-P412 WeakPolarHBondContact CA-O 3.44Å
357	S	90.8	Very high	90.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.2	177.5	178.7	0	0	0	0	111.9	P296 L297 R359 H411 P412	P296-S357 PolarHBondContact O-OG 3.48Å; L297-S357 WeakPolarHBondContact O-CA 3.35Å; S357-R359 PolarHBondContact O-N 3.05Å; S357-R359 WeakPolarHBondContact OG-CB 3.36Å; S357-R359 PolarHBondContact OG-N 3.33Å; S357-H411 PolarHBondContact O-ND1 3.42Å; S357-P412 PolarHBondContact N-O 2.94Å
358	E	86.9	Confident	91	Very high	108 Å²	108	26.2 Å²	26.2	51%	0.505	14%	0.142	S	C	.	.	S	Bend	trans	-63.6	-14.6	165.9	-64	-174.9	163.9	0	0	112.7	L297 L299 H411	L297-E358 HydrophobicContact CB-CB 3.84Å; L297-E358 HydrophobicContact CB-CG 4.09Å; L297-E358 HydrophobicContact CD1-CB 4.35Å; L297-E358 WeakPolarHBondContact CD1-OE2 3.3Å; L297-E358 PolarHBondContact O-N 3.32Å; L299-E358 HydrophobicContact CD1-CG 3.61Å; L299-E358 HydrophobicContact CD2-CG 4.49Å; L299-E358 HydrophobicContact CG-CG 3.93Å; E358-H411 PolarHBondContact O-CE1 2.95Å; E358-H411 VanDerWaalsContact O-CE1 3.32Å
359	R	87.1	Confident	90.9	Very high	15 Å²	15	26.5 Å²	26.5	6%	0.057	14%	0.144	C	C	.	.	S	Bend	trans	-84.6	145.1	174.4	-53.9	-58.2	-167.4	112.1	0.3	110.4	R233 S235 S357 E363 V364 H411 P412	R233-R359 PolarHBondContact O-NH2 2.83Å; S235-R359 PolarHBondContact O-NH1 3.49Å; S235-R359 PolarHBondContact O-NH2 3.32Å; S235-R359 VanDerWaalsContact O-NH2 3.11Å; S357-R359 PolarHBondContact O-N 3.05Å; S357-R359 WeakPolarHBondContact OG-CB 3.36Å; S357-R359 PolarHBondContact OG-N 3.33Å; R359-E363 HydrophobicContact CB-CB 4.3Å; R359-E363 IonicContact CZ-OE2 3.63Å; R359-E363 IonicContact NH1-OE2 2.68Å; R359-E363 PolarHBondContact NH1-OE2 2.9Å; R359-V364 HydrophobicContact CB-CB 4.19Å; R359-V364 HydrophobicContact CB-CG2 3.51Å; R359-V364 HydrophobicContact CG-CG2 3.81Å; R359-H411 PolarHBondContact O-ND1 3.38Å; R359-P412 VanDerWaalsContact O-CD 3.27Å; R359-P412 WeakPolarHBondContact O-CD 3.05Å
360	P	87.1	Confident	90.4	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.058	18%	0.18	C	C	.	.			trans	-67.6	157.4	173.1	30.7	-36.6	0	0	0	111.5	S362 E363 V364 Q409 S410	P360-S362 PolarHBondContact O-N 3.18Å; P360-E363 HydrophobicContact CG-CB 4.39Å; P360-E363 HydrophobicContact CG-CG 4.24Å; P360-E363 PolarHBondContact O-N 3.36Å; P360-V364 PolarHBondContact O-N 3.23Å; P360-V364 VanDerWaalsContact O-N 3.16Å; P360-Q409 HydrophobicContact CB-CB 4.26Å; P360-S410 CarbonylContact C-O 3.6Å; P360-S410 WeakPolarHBondContact CA-O 3.32Å
361	E	86.2	Confident	89.7	Confident	64 Å²	64	41.6 Å²	41.6	30%	0.299	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-13.6	178.3	-174.7	173.8	-153.8	0	0	113.3	K240 V364 S399 S410	K240-E361 WeakPolarHBondContact CE-O 3.34Å; E361-V364 CarbonylContact C-O 3.58Å; E361-V364 WeakPolarHBondContact CA-O 3.44Å; E361-S399 WeakPolarHBondContact OE1-CB 3.42Å; E361-S399 PolarHBondContact OE1-OG 3.49Å; E361-S399 WeakPolarHBondContact OE2-CB 3.38Å; E361-S410 WeakPolarHBondContact CB-O 3.3Å; E361-S410 PolarHBondContact N-O 2.86Å; E361-S410 VanDerWaalsContact OE2-CB 3.22Å; E361-S410 WeakPolarHBondContact OE2-CB 3.46Å; E361-S410 PolarHBondContact OE2-OG 3.43Å
362	S	85.6	Confident	89.1	Confident	92 Å²	92	44.8 Å²	44.8	64%	0.643	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-26.3	170.5	53.5	0	0	0	0	114	P360	P360-S362 PolarHBondContact O-N 3.18Å
363	E	88	Confident	88.5	Confident	15 Å²	15	45.5 Å²	45.5	7%	0.07	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-29.3	176.3	-75.2	-177.1	-146	0	0	112.6	K236 V241 R359 P360	K236-E363 WeakPolarHBondContact CG-OE1 3.19Å; K236-E363 IonicContact NZ-OE1 2.7Å; K236-E363 PolarHBondContact NZ-OE1 3.31Å; V241-E363 PolarHBondContact N-O 3.3Å; R359-E363 HydrophobicContact CB-CB 4.3Å; R359-E363 IonicContact CZ-OE2 3.63Å; R359-E363 IonicContact NH1-OE2 2.68Å; R359-E363 PolarHBondContact NH1-OE2 2.9Å; P360-E363 HydrophobicContact CG-CB 4.39Å; P360-E363 HydrophobicContact CG-CG 4.24Å; P360-E363 PolarHBondContact O-N 3.36Å
364	V	90.5	Very high	88.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.5	-170.3	177.7	0	0	0	0	111.9	V241 V243 W294 R359 P360 E361 L366 P412	V241-V364 CarbonylContact O-C 3.6Å; V241-V364 WeakPolarHBondContact O-CA 3.42Å; V243-V364 HydrophobicContact CG2-CG1 3.86Å; W294-V364 HydrophobicContact CH2-CG2 3.7Å; W294-V364 HydrophobicContact CZ2-CG2 3.75Å; R359-V364 HydrophobicContact CB-CB 4.19Å; R359-V364 HydrophobicContact CB-CG2 3.51Å; R359-V364 HydrophobicContact CG-CG2 3.81Å; P360-V364 PolarHBondContact O-N 3.23Å; P360-V364 VanDerWaalsContact O-N 3.16Å; E361-V364 CarbonylContact C-O 3.58Å; E361-V364 WeakPolarHBondContact CA-O 3.44Å; V364-L366 HydrophobicContact CG1-CD2 3.79Å; V364-P412 HydrophobicContact CB-CG 4.24Å; V364-P412 HydrophobicContact CG1-CG 4.17Å
365	E	92.5	Very high	87.7	Confident	59 Å²	59	50.3 Å²	50.3	28%	0.276	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.5	165.6	-165.4	174.2	144.6	0	0	110.7	K240 V241 T242 V243 I367 R397	K240-E365 HydrophobicContact CD-CB 4.13Å; K240-E365 IonicContact NZ-OE2 2.74Å; K240-E365 PolarHBondContact NZ-OE2 3.22Å; V241-E365 PolarHBondContact O-N 3.45Å; T242-E365 HydrophobicContact CG2-CB 4.41Å; V243-E365 PolarHBondContact N-O 3.33Å; E365-I367 HydrophobicContact CB-CG1 4.42Å; E365-I367 HydrophobicContact CG-CD1 4.14Å; E365-I367 HydrophobicContact CG-CG1 3.84Å; E365-I367 WeakPolarHBondContact OE1-CD1 3.3Å; E365-R397 IonicContact OE1-NH1 3.44Å
366	L	92.7	Very high	87.3	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.1	173.8	-56	-172.6	0	0	0	109.5	V243 I245 V364 R397 P412 I414	V243-L366 HydrophobicContact CB-CD2 3.93Å; V243-L366 HydrophobicContact CG1-CD2 4.39Å; V243-L366 HydrophobicContact CG2-CD2 4.4Å; I245-L366 HydrophobicContact CD1-CB 4.22Å; I245-L366 HydrophobicContact CD1-CD1 3.91Å; I245-L366 HydrophobicContact CD1-CD2 3.77Å; I245-L366 HydrophobicContact CD1-CG 4.16Å; V364-L366 HydrophobicContact CG1-CD2 3.79Å; L366-R397 WeakPolarHBondContact O-CD 3.28Å; L366-P412 HydrophobicContact CD1-CB 4.48Å; L366-P412 HydrophobicContact CD1-CG 4.47Å; L366-P412 VanDerWaalsContact CD1-O 3.28Å; L366-P412 WeakPolarHBondContact CD1-O 3.21Å; L366-P412 HydrophobicContact CG-CB 3.99Å; L366-P412 HydrophobicContact CG-CG 4.05Å; L366-I414 HydrophobicContact CB-CB 4.33Å; L366-I414 HydrophobicContact CB-CG2 4.13Å; L366-I414 HydrophobicContact CD1-CG2 4.02Å
367	I	92.7	Very high	86.8	Confident	35 Å²	35	54.3 Å²	54.3	18%	0.179	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.6	-175.6	-53.5	-178.4	0	0	0	108	T242 V243 Q244 I245 E365 D369	T242-I367 HydrophobicContact CG2-CD1 3.73Å; V243-I367 PolarHBondContact O-N 3.18Å; Q244-I367 CarbonylContact C-O 3.49Å; Q244-I367 VanDerWaalsContact CA-O 3.29Å; Q244-I367 WeakPolarHBondContact CA-O 3.39Å; I245-I367 PolarHBondContact N-O 3.49Å; E365-I367 HydrophobicContact CB-CG1 4.42Å; E365-I367 HydrophobicContact CG-CD1 4.14Å; E365-I367 HydrophobicContact CG-CG1 3.84Å; E365-I367 WeakPolarHBondContact OE1-CD1 3.3Å; I367-D369 PolarHBondContact O-N 2.84Å
368	P	91.8	Very high	86.1	Confident	30 Å²	30	57 Å²	57	20%	0.195	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	138.6	171.5	25.5	-33.6	0	0	0	111.4	I245 K370 I395 I414	I245-P368 WeakPolarHBondContact O-CA 3.47Å; P368-K370 PolarHBondContact O-N 2.92Å; P368-I395 HydrophobicContact CB-CD1 3.9Å; P368-I395 HydrophobicContact CB-CG2 4.28Å; P368-I414 HydrophobicContact CB-CD1 4.44Å
369	D	88.7	Confident	85.5	Confident	13 Å²	13	60 Å²	60	7%	0.07	29%	0.288	C	S	.	.			trans	-60.2	133.6	171.8	-166.6	-32.9	0	0	0	110.3	Q244 I245 R246 I367 Y371 E372	Q244-D369 HydrophobicContact CB-CB 4.26Å; I245-D369 PolarHBondContact O-N 2.83Å; R246-D369 HydrophobicContact CB-CB 4.2Å; I367-D369 PolarHBondContact O-N 2.84Å; D369-Y371 PolarHBondContact OD1-N 2.89Å; D369-E372 PolarHBondContact OD1-N 3.33Å
370	K	82.3	Confident	84.9	Confident	179 Å²	179	61.3 Å²	61.3	78%	0.778	30%	0.298	S	S	*	.	S	Bend	trans	-90.8	-28.1	-178.4	-66.2	-177.7	179.3	178.6	0	113	P368	P368-K370 PolarHBondContact O-N 2.92Å
371	Y	77.8	Confident	84.5	Confident	194 Å²	194	61.2 Å²	61.2	76%	0.761	30%	0.297	S	S	*	.	S	Bend	trans	-91	-42.1	-176.7	-59.2	-84.8	0	0	0	110.2	D369 P373	D369-Y371 PolarHBondContact OD1-N 2.89Å; Y371-P373 WeakPolarHBondContact O-CD 3.22Å
372	E	80.9	Confident	84.1	Confident	67 Å²	67	61.9 Å²	61.9	31%	0.313	31%	0.305	S	S	.	.	S	Bend	trans	-110.5	83.7	174.6	-65.9	-152.3	112	0	0	111.7	R246 Q269 D369	R246-E372 VanDerWaalsContact CD-O 3.26Å; R246-E372 WeakPolarHBondContact CD-O 3.35Å; R246-E372 VanDerWaalsContact CG-O 3.31Å; R246-E372 WeakPolarHBondContact CG-O 3.43Å; R246-E372 IonicContact CZ-OE1 2.7Å; R246-E372 IonicContact CZ-OE2 2.71Å; R246-E372 IonicContact NE-OE2 3.97Å; R246-E372 IonicContact NH1-OE1 2.74Å; R246-E372 PolarHBondContact NH1-OE1 3.27Å; R246-E372 IonicContact NH1-OE2 2.9Å; R246-E372 PolarHBondContact NH1-OE2 2.86Å; R246-E372 IonicContact NH2-OE1 3.62Å; Q269-E372 PolarHBondContact NE2-OE2 3.11Å; D369-E372 PolarHBondContact OD1-N 3.33Å
373	P	82.7	Confident	83.8	Confident	38 Å²	38	59.1 Å²	59.1	25%	0.247	28%	0.283	C	S	.	.			trans	-60.4	156.1	179.9	24.2	-34.3	0	0	0	112.7	R246 Y371	R246-P373 PolarHBondContact NE-O 2.74Å; Y371-P373 WeakPolarHBondContact O-CD 3.22Å
374	C	85.3	Confident	83.5	Confident	7 Å²	7	62.6 Å²	62.6	5%	0.047	30%	0.3	C	S	.	.			trans	-59.5	142.6	169	-62.4	0	0	0	0	110.4	V247 I393 I395 V416	V247-C374 PolarHBondContact N-SG 2.93Å; V247-C374 WeakPolarHBondContact O-CA 3.34Å; V247-C374 WeakPolarHBondContact O-CB 3.49Å; C374-I393 HydrophobicContact CB-CD1 4.24Å; C374-I393 HydrophobicContact CB-CG2 4.07Å; C374-I395 HydrophobicContact CB-CD1 4.05Å; C374-I395 VanDerWaalsContact SG-CD1 3.59Å; C374-V416 HydrophobicContact CB-CG1 4.27Å
375	R	85.8	Confident	83	Confident	114 Å²	114	71.2 Å²	71.2	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	165.1	-174.7	-69.3	-172.9	-171.2	179.4	4.3	112	V247 V248 F249 I393	V247-R375 PolarHBondContact O-N 3.14Å; V248-R375 VanDerWaalsContact CA-O 3.27Å; V248-R375 WeakPolarHBondContact CA-O 3.29Å; V248-R375 HydrophobicContact CG1-CB 4.36Å; V248-R375 HydrophobicContact CG2-CB 4.49Å; F249-R375 PolarHBondContact N-O 3.14Å; R375-I393 VanDerWaalsContact CA-CD1 3.49Å
376	I	85	Confident	82.7	Confident	21 Å²	21	71.9 Å²	71.9	11%	0.108	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.9	178.5	-174.2	149.7	0	0	0	111.1	F249 I252 L378 L389 I393 C418	F249-I376 HydrophobicContact CB-CB 4.24Å; F249-I376 HydrophobicContact CB-CD1 3.8Å; F249-I376 HydrophobicContact CB-CG1 3.77Å; F249-I376 HydrophobicContact CD2-CD1 4.14Å; F249-I376 HydrophobicContact CG-CD1 4.04Å; F249-I376 HydrophobicContact CG-CG1 4.48Å; I252-I376 HydrophobicContact CD1-CD1 3.99Å; I376-L378 HydrophobicContact CG2-CD1 4.13Å; I376-L378 HydrophobicContact CG2-CG 4.34Å; I376-L378 PolarHBondContact O-N 3.36Å; I376-L389 HydrophobicContact CD1-CD1 4.3Å; I376-L389 HydrophobicContact CD1-CD2 3.53Å; I376-L389 HydrophobicContact CD1-CG 3.87Å; I376-L389 HydrophobicContact CG1-CD2 3.75Å; I376-L389 HydrophobicContact CG1-CG 4.48Å; I376-I393 HydrophobicContact CB-CD1 4.06Å; I376-I393 HydrophobicContact CG2-CD1 4.2Å; I376-I393 HydrophobicContact CG2-CG1 4.46Å; I376-C418 HydrophobicContact CD1-CB 4Å; I376-C418 WeakPolarHBondContact CD1-SG 3.3Å
377	N	82.8	Confident	82.6	Confident	74 Å²	74	71.7 Å²	71.7	40%	0.396	34%	0.342	S	S	.	.			trans	-95.3	84.7	179	-169.5	-6	0	0	0	111.5	F249 Q379 T380	F249-N377 PolarHBondContact O-N 2.85Å; N377-Q379 PolarHBondContact O-N 3.1Å; N377-Q379 VanDerWaalsContact O-N 3.09Å; N377-T380 HydrophobicContact CB-CG2 4.15Å; N377-T380 VanDerWaalsContact ND2-CG2 3.29Å; N377-T380 WeakPolarHBondContact ND2-CG2 3.42Å; N377-T380 PolarHBondContact O-N 3.01Å; N377-T380 VanDerWaalsContact O-N 3.07Å; N377-T380 PolarHBondContact O-OG1 3.38Å
378	L	75.8	Confident	82.3	Confident	57 Å²	57	77.1 Å²	77.1	30%	0.298	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-58.2	-27.2	-173	-60.1	99.1	0	0	0	114.7	I376 T380 L389 E391	I376-L378 HydrophobicContact CG2-CD1 4.13Å; I376-L378 HydrophobicContact CG2-CG 4.34Å; I376-L378 PolarHBondContact O-N 3.36Å; L378-T380 PolarHBondContact O-N 3.23Å; L378-L389 HydrophobicContact CD2-CB 4.23Å; L378-L389 HydrophobicContact CG-CD2 4.5Å; L378-E391 HydrophobicContact CD1-CG 3.66Å; L378-E391 HydrophobicContact CD2-CB 4.44Å; L378-E391 HydrophobicContact CD2-CG 3.36Å; L378-E391 HydrophobicContact CG-CG 4.14Å
379	Q	73.4	Confident	82.1	Confident	171 Å²	171	76.8 Å²	76.8	80%	0.799	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-69.5	-14.4	-179.3	-165.8	170.4	7.7	0	0	113.1	N377 Q384	N377-Q379 PolarHBondContact O-N 3.1Å; N377-Q379 VanDerWaalsContact O-N 3.09Å; Q379-Q384 PolarHBondContact O-NE2 2.7Å
380	T	76.5	Confident	81.9	Confident	43 Å²	43	76.8 Å²	76.8	26%	0.264	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-100.5	-6.1	-172.2	63.6	0	0	0	0	115.2	L250 K251 N377 L378 V382	L250-T380 WeakPolarHBondContact O-CB 3.29Å; L250-T380 WeakPolarHBondContact O-CG2 3.38Å; L250-T380 PolarHBondContact O-OG1 2.82Å; K251-T380 WeakPolarHBondContact CA-OG1 3.33Å; K251-T380 WeakPolarHBondContact CG-O 3.4Å; N377-T380 HydrophobicContact CB-CG2 4.15Å; N377-T380 VanDerWaalsContact ND2-CG2 3.29Å; N377-T380 WeakPolarHBondContact ND2-CG2 3.42Å; N377-T380 PolarHBondContact O-N 3.01Å; N377-T380 VanDerWaalsContact O-N 3.07Å; N377-T380 PolarHBondContact O-OG1 3.38Å; L378-T380 PolarHBondContact O-N 3.23Å; T380-V382 PolarHBondContact O-N 3.4Å
381	L	77.2	Confident	81.8	Confident	8 Å²	8	71.2 Å²	71.2	4%	0.042	33%	0.333	C	S	.	.			trans	-52.4	130.5	174	176.3	64.4	0	0	0	109.4	I252 Q384 W387 L389	I252-L381 HydrophobicContact CB-CD1 3.97Å; I252-L381 HydrophobicContact CG2-CD1 3.85Å; I252-L381 WeakPolarHBondContact O-CA 3.48Å; L381-Q384 HydrophobicContact CB-CG 3.89Å; L381-Q384 HydrophobicContact CD2-CG 3.97Å; L381-Q384 HydrophobicContact CG-CG 3.95Å; L381-Q384 WeakPolarHBondContact O-CG 3.47Å; L381-Q384 PolarHBondContact O-NE2 2.99Å; L381-W387 HydrophobicContact CD2-CB 4.24Å; L381-L389 HydrophobicContact CB-CD2 4.49Å; L381-L389 HydrophobicContact CD2-CB 4.28Å
382	V	77.9	Confident	82	Confident	78 Å²	78	62.5 Å²	62.5	47%	0.473	30%	0.299	S	S	.	.	S	Bend	trans	-73.5	-55	174.5	-179.6	0	0	0	0	109.8	I252 T380 Q384	I252-V382 PolarHBondContact O-N 3.22Å; T380-V382 PolarHBondContact O-N 3.4Å; V382-Q384 PolarHBondContact O-N 3.3Å
383	D	79.1	Confident	82.3	Confident	34 Å²	34	60.3 Å²	60.3	18%	0.182	29%	0.289	C	S	.	.			trans	-81.3	41.8	-168.5	-58	7.7	0	0	0	112.9	E254 I255 Q385 E386 W387	E254-D383 VanDerWaalsContact CA-OD2 3.32Å; E254-D383 WeakPolarHBondContact CA-OD2 3.45Å; I255-D383 PolarHBondContact N-OD2 2.66Å; D383-Q385 PolarHBondContact O-N 3.14Å; D383-E386 PolarHBondContact O-N 3.23Å; D383-E386 VanDerWaalsContact O-N 3.17Å; D383-W387 PolarHBondContact O-N 3.36Å
384	Q	82.4	Confident	82.5	Confident	87 Å²	87	62.1 Å²	62.1	41%	0.407	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.4	177.8	-68.4	178.8	45.5	0	0	113	Q379 L381 V382 R423	Q379-Q384 PolarHBondContact O-NE2 2.7Å; L381-Q384 HydrophobicContact CB-CG 3.89Å; L381-Q384 HydrophobicContact CD2-CG 3.97Å; L381-Q384 HydrophobicContact CG-CG 3.95Å; L381-Q384 WeakPolarHBondContact O-CG 3.47Å; L381-Q384 PolarHBondContact O-NE2 2.99Å; V382-Q384 PolarHBondContact O-N 3.3Å; Q384-R423 PolarHBondContact O-NE 2.94Å; Q384-R423 VanDerWaalsContact O-NE 3.07Å; Q384-R423 PolarHBondContact O-NH1 3.49Å; Q384-R423 PolarHBondContact O-NH2 3.04Å
385	Q	80.6	Confident	82.7	Confident	181 Å²	181	64.6 Å²	64.6	85%	0.846	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-41.7	175.4	-62.1	-170.5	9.1	0	0	112.7	D383 R423	D383-Q385 PolarHBondContact O-N 3.14Å; Q385-R423 VanDerWaalsContact O-CD 3.32Å; Q385-R423 WeakPolarHBondContact O-CD 3.26Å
386	E	85.7	Confident	82.8	Confident	73 Å²	73	61.2 Å²	61.2	34%	0.341	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-33.1	176.5	-179.7	165	-165.4	0	0	112.6	D383 R422 R423	D383-E386 PolarHBondContact O-N 3.23Å; D383-E386 VanDerWaalsContact O-N 3.17Å; E386-R422 HydrophobicContact CG-CG 3.86Å; E386-R422 CarbonylContact O-C 3.57Å; E386-R422 WeakPolarHBondContact OE1-CD 3.34Å; E386-R422 IonicContact OE1-CZ 2.66Å; E386-R422 IonicContact OE1-NE 3.6Å; E386-R422 IonicContact OE1-NH1 3.65Å; E386-R422 PolarHBondContact OE1-NH1 3.04Å; E386-R423 VanDerWaalsContact O-CB 3.3Å; E386-R423 WeakPolarHBondContact O-CB 3.42Å; E386-R423 WeakPolarHBondContact O-CG 3.39Å; E386-R423 PolarHBondContact O-N 2.94Å
387	W	89.5	Confident	83	Confident	1 Å²	1	66.9 Å²	66.9	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	164	-170.6	-64.1	94.5	0	0	0	113.4	I255 T257 Q349 L381 D383 A420 A421 R422 R423	I255-W387 HydrophobicContact CB-CZ2 4.19Å; I255-W387 HydrophobicContact CD1-CD2 3.87Å; I255-W387 HydrophobicContact CD1-CE3 4.45Å; I255-W387 HydrophobicContact CD1-CG 3.95Å; I255-W387 HydrophobicContact CD1-CZ2 4.4Å; I255-W387 HydrophobicContact CG2-CH2 4.42Å; I255-W387 HydrophobicContact CG2-CZ2 3.82Å; T257-W387 HydrophobicContact CG2-CZ2 4.11Å; Q349-W387 HydrophobicContact CB-CH2 4.4Å; Q349-W387 HydrophobicContact CB-CZ3 4.31Å; Q349-W387 HydrophobicContact CG-CH2 3.73Å; Q349-W387 HydrophobicContact CG-CZ3 3.94Å; L381-W387 HydrophobicContact CD2-CB 4.24Å; D383-W387 PolarHBondContact O-N 3.36Å; W387-A420 HydrophobicContact CE3-CB 3.87Å; W387-A420 HydrophobicContact CZ3-CB 4.31Å; W387-A420 WeakPolarHBondContact CZ3-O 3.21Å; W387-A421 CarbonylContact C-O 3.57Å; W387-R422 HydrophobicContact CE3-CB 4.21Å; W387-R422 HydrophobicContact CH2-CB 4.47Å; W387-R422 VanDerWaalsContact CH2-NH2 3.29Å; W387-R422 HydrophobicContact CZ3-CB 4.05Å; W387-R423 PolarHBondContact O-NE 3.08Å; W387-R423 PolarHBondContact O-NH2 3.16Å
388	R	87.8	Confident	83.1	Confident	149 Å²	149	70.4 Å²	70.4	56%	0.562	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	117.8	169	-69.5	-173.9	175	-170.5	-3.6	108.1	A421 R423	R388-A421 PolarHBondContact N-O 3.17Å; R388-A421 PolarHBondContact O-N 2.6Å; R388-R423 HydrophobicContact CG-CG 3.88Å; R388-R423 VanDerWaalsContact CG-NE 3.33Å
389	L	87.3	Confident	83.3	Confident	23 Å²	23	70.9 Å²	70.9	12%	0.12	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	134.6	179.3	-146.9	58.7	0	0	0	109.8	I252 I376 L378 L381 C418 A420	I252-L389 HydrophobicContact CD1-CD1 3.91Å; I252-L389 HydrophobicContact CD1-CD2 4.26Å; I376-L389 HydrophobicContact CD1-CD1 4.3Å; I376-L389 HydrophobicContact CD1-CD2 3.53Å; I376-L389 HydrophobicContact CD1-CG 3.87Å; I376-L389 HydrophobicContact CG1-CD2 3.75Å; I376-L389 HydrophobicContact CG1-CG 4.48Å; L378-L389 HydrophobicContact CD2-CB 4.23Å; L378-L389 HydrophobicContact CG-CD2 4.5Å; L381-L389 HydrophobicContact CB-CD2 4.49Å; L381-L389 HydrophobicContact CD2-CB 4.28Å; L389-C418 VanDerWaalsContact CD1-SG 3.51Å; L389-A420 HydrophobicContact CD1-CB 4.16Å
390	H	85.1	Confident	83.3	Confident	14 Å²	14	64.7 Å²	64.7	7%	0.065	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	154.3	169.4	-72.5	-71.2	0	0	0	110.5	H392 R419 D670	H390-H392 AromaticContact CG-CE1 3.98Å; H390-R419 HydrophobicContact CB-CB 4.25Å; H390-R419 WeakPolarHBondContact CB-O 3.37Å; H390-R419 PolarHBondContact N-O 2.96Å; H390-D670 WeakPolarHBondContact CB-OD1 3.19Å; H390-D670 IonicContact CE1-OD2 2.78Å; H390-D670 IonicContact CG-OD2 3.75Å; H390-D670 IonicContact ND1-OD1 2.72Å; H390-D670 IonicContact ND1-OD2 3.4Å; H390-D670 PolarHBondContact ND1-OD2 3.11Å
391	E	80.2	Confident	83.3	Confident	62 Å²	62	66.8 Å²	66.8	29%	0.29	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-28.3	-177.9	-73.3	-172.8	-142.9	0	0	112.4	L378 D670 Y673 K674	L378-E391 HydrophobicContact CD1-CG 3.66Å; L378-E391 HydrophobicContact CD2-CB 4.44Å; L378-E391 HydrophobicContact CD2-CG 3.36Å; L378-E391 HydrophobicContact CG-CG 4.14Å; E391-D670 PolarHBondContact N-OD1 3.45Å; E391-Y673 HydrophobicContact CB-CD1 4.17Å; E391-Y673 HydrophobicContact CB-CE1 4.37Å; E391-Y673 WeakPolarHBondContact O-CE1 3.41Å; E391-K674 VanDerWaalsContact CD-NZ 3.3Å; E391-K674 WeakPolarHBondContact OE1-CE 3.31Å; E391-K674 IonicContact OE1-NZ 2.88Å; E391-K674 PolarHBondContact OE1-NZ 3.45Å; E391-K674 WeakPolarHBondContact OE2-CE 3.37Å; E391-K674 IonicContact OE2-NZ 2.7Å
392	H	82	Confident	82.7	Confident	11 Å²	11	71 Å²	71	5%	0.051	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135	178	70.2	-82.4	0	0	0	111.9	H390 R419 D670 Y673	H390-H392 AromaticContact CG-CE1 3.98Å; H392-R419 VanDerWaalsContact NE2-CD 3.34Å; H392-R419 WeakPolarHBondContact NE2-CD 3.42Å; H392-D670 IonicContact CE1-OD1 2.74Å; H392-D670 IonicContact CG-OD1 2.7Å; H392-D670 PolarHBondContact N-OD1 3.36Å; H392-D670 VanDerWaalsContact N-OD1 3.14Å; H392-D670 IonicContact ND1-OD1 3.35Å; H392-D670 PolarHBondContact ND1-OD1 3.32Å; H392-Y673 HydrophobicContact CB-CD1 4.35Å; H392-Y673 HydrophobicContact CB-CD2 4.1Å; H392-Y673 HydrophobicContact CB-CG 3.81Å
393	I	85.7	Confident	82	Confident	21 Å²	21	75.4 Å²	75.4	11%	0.108	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.9	169.3	-71.1	162	0	0	0	107.5	F249 C374 R375 I376 I395 V416 T417	F249-I393 HydrophobicContact CD2-CD1 4.43Å; C374-I393 HydrophobicContact CB-CD1 4.24Å; C374-I393 HydrophobicContact CB-CG2 4.07Å; R375-I393 VanDerWaalsContact CA-CD1 3.49Å; I376-I393 HydrophobicContact CB-CD1 4.06Å; I376-I393 HydrophobicContact CG2-CD1 4.2Å; I376-I393 HydrophobicContact CG2-CG1 4.46Å; I393-I395 HydrophobicContact CG2-CG1 4.11Å; I393-V416 HydrophobicContact CG2-CG1 3.41Å; I393-V416 VanDerWaalsContact CG2-CG1 3.41Å; I393-T417 WeakPolarHBondContact CA-O 3.42Å
394	E	87.3	Confident	81.3	Confident	76 Å²	76	84 Å²	84	36%	0.355	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.8	176	-174.5	173.3	164	0	0	109.1	T417 R419 R669	E394-T417 PolarHBondContact N-O 2.88Å; E394-T417 PolarHBondContact O-N 2.58Å; E394-T417 PolarHBondContact O-OG1 2.81Å; E394-R419 IonicContact OE1-NH2 3.22Å; E394-R419 IonicContact OE2-CZ 3.33Å; E394-R419 IonicContact OE2-NE 2.74Å; E394-R419 IonicContact OE2-NH2 3.31Å; E394-R419 PolarHBondContact OE2-NH2 3.35Å; E394-R669 IonicContact OE2-NH1 3.61Å; E394-R669 PolarHBondContact OE2-NH1 3.37Å
395	I	88.6	Confident	80.4	Confident	58 Å²	58	82 Å²	82	30%	0.297	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	105.6	-173.8	-54.4	176.5	0	0	0	108.4	P368 C374 I393 I414 V416	P368-I395 HydrophobicContact CB-CD1 3.9Å; P368-I395 HydrophobicContact CB-CG2 4.28Å; C374-I395 HydrophobicContact CB-CD1 4.05Å; C374-I395 VanDerWaalsContact SG-CD1 3.59Å; I393-I395 HydrophobicContact CG2-CG1 4.11Å; I395-I414 HydrophobicContact CG2-CD1 3.67Å; I395-I414 HydrophobicContact CG2-CG1 3.63Å; I395-V416 HydrophobicContact CG1-CG1 4.37Å; I395-V416 HydrophobicContact CG1-CG2 4.46Å; I395-V416 HydrophobicContact CG2-CG2 4.33Å
396	T	89.7	Confident	79.2	Confident	44 Å²	44	82.1 Å²	82.1	27%	0.27	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.3	176.7	-50	0	0	0	0	109.4	R398 S415	T396-R398 HydrophobicContact CG2-CG 3.87Å; T396-S415 PolarHBondContact N-O 2.92Å; T396-S415 PolarHBondContact O-N 3.26Å
397	R	88.3	Confident	78.1	Confident	140 Å²	140	81.1 Å²	81.1	53%	0.528	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	135.8	164.6	-75.8	177.4	-74.8	155.7	-1.9	109.2	E365 L366 I414	E365-R397 IonicContact OE1-NH1 3.44Å; L366-R397 WeakPolarHBondContact O-CD 3.28Å; R397-I414 HydrophobicContact CG-CB 4.39Å; R397-I414 HydrophobicContact CG-CD1 3.98Å; R397-I414 HydrophobicContact CG-CG1 3.95Å
398	R	84.6	Confident	77.1	Confident	148 Å²	148	86.4 Å²	86.4	56%	0.558	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	165.1	179.5	-60.8	-176.6	179.4	171.7	2.1	108.5	T396 C413	T396-R398 HydrophobicContact CG2-CG 3.87Å; R398-C413 HydrophobicContact CB-CB 4.21Å; R398-C413 PolarHBondContact N-O 2.93Å; R398-C413 CarbonylContact O-C 3.57Å; R398-C413 WeakPolarHBondContact O-CA 3.22Å; R398-C413 WeakPolarHBondContact O-CB 3.34Å; R398-C413 PolarHBondContact O-N 3.03Å
399	S	79.5	Confident	76.5	Confident	66 Å²	66	83.1 Å²	83.1	46%	0.462	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	119.2	174.5	-44.9	0	0	0	0	107.4	E361 S410 H411	E361-S399 WeakPolarHBondContact OE1-CB 3.42Å; E361-S399 PolarHBondContact OE1-OG 3.49Å; E361-S399 WeakPolarHBondContact OE2-CB 3.38Å; S399-S410 VanDerWaalsContact CB-OG 3.29Å; S399-S410 WeakPolarHBondContact CB-OG 3.4Å; S399-H411 WeakPolarHBondContact CA-O 3.48Å
400	A	75.3	Confident	76.4	Confident	42 Å²	42	83.4 Å²	83.4	35%	0.347	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.7	-168.3	0	0	0	0	0	110.5	H411 C413	A400-H411 PolarHBondContact N-O 2.92Å; A400-H411 PolarHBondContact O-N 3.2Å; A400-C413 HydrophobicContact CB-CB 4.48Å
401	T	74.6	Confident	76.6	Confident	87 Å²	87	83.8 Å²	83.8	53%	0.534	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.1	177.2	46.6	0	0	0	0	111.1	E403	T401-E403 PolarHBondContact O-N 3.17Å; T401-E403 VanDerWaalsContact O-N 3.1Å
402	Q	65.1	Low	77.1	Confident	96 Å²	96	81.1 Å²	81.1	45%	0.449	42%	0.415	S	S	.	.			trans	-83.8	88.6	-176.8	-165.3	177.6	39.2	0	0	111.9	Y404 T405 Q409	Q402-Y404 PolarHBondContact O-N 2.78Å; Q402-T405 HydrophobicContact CG-CG2 4.22Å; Q402-T405 PolarHBondContact O-N 3.07Å; Q402-T405 VanDerWaalsContact O-N 3.07Å; Q402-T405 PolarHBondContact O-OG1 2.98Å; Q402-T405 VanDerWaalsContact O-OG1 3.09Å; Q402-Q409 PolarHBondContact N-O 2.82Å
403	E	64.7	Low	77.6	Confident	170 Å²	170	81 Å²	81	79%	0.794	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-24.8	-176.6	-60.7	-171.2	165.3	0	0	114.8	T401 T405	T401-E403 PolarHBondContact O-N 3.17Å; T401-E403 VanDerWaalsContact O-N 3.1Å; E403-T405 PolarHBondContact O-N 3Å
404	Y	63.4	Low	78	Confident	216 Å²	216	80 Å²	80	85%	0.847	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.7	179.7	-60.3	-72.8	0	0	0	114.6	Q402	Q402-Y404 PolarHBondContact O-N 2.78Å
405	T	62.9	Low	78.3	Confident	44 Å²	44	76.5 Å²	76.5	27%	0.27	39%	0.394	S	S	.	.	S	Bend	trans	-112.3	137.2	178.7	66.7	0	0	0	0	111.3	Q402 E403 S407	Q402-T405 HydrophobicContact CG-CG2 4.22Å; Q402-T405 PolarHBondContact O-N 3.07Å; Q402-T405 VanDerWaalsContact O-N 3.07Å; Q402-T405 PolarHBondContact O-OG1 2.98Å; Q402-T405 VanDerWaalsContact O-OG1 3.09Å; E403-T405 PolarHBondContact O-N 3Å; T405-S407 CarbonylContact O-C 3.58Å; T405-S407 PolarHBondContact O-N 3.4Å; T405-S407 PolarHBondContact OG1-O 3.43Å; T405-S407 PolarHBondContact OG1-OG 2.85Å
406	N	55.8	Low	78.6	Confident	183 Å²	183	73.8 Å²	73.8	98%	0.979	38%	0.38	S	S	*	.	S	Bend	trans	-60	-17	178.1	-71.9	-15.9	0	0	0	113.2
407	S	63.4	Low	78.7	Confident	53 Å²	53	72.1 Å²	72.1	37%	0.371	37%	0.37	S	S	.	.	S	Bend	trans	-90	107.8	165.8	49.2	0	0	0	0	110	T405 Q409	T405-S407 CarbonylContact O-C 3.58Å; T405-S407 PolarHBondContact O-N 3.4Å; T405-S407 PolarHBondContact OG1-O 3.43Å; T405-S407 PolarHBondContact OG1-OG 2.85Å; S407-Q409 PolarHBondContact O-N 2.86Å
408	S	68.4	Low	78.9	Confident	111 Å²	111	65.5 Å²	65.5	78%	0.776	35%	0.345	S	S	*	.			trans	-70.6	53.4	173.2	-46.8	0	0	0	0	112.6
409	Q	75.5	Confident	79.2	Confident	81 Å²	81	59.7 Å²	59.7	38%	0.379	32%	0.323	S	S	.	.			trans	-79.6	138.2	179	-75.3	174.9	44	0	0	109.7	P360 Q402 S407	P360-Q409 HydrophobicContact CB-CB 4.26Å; Q402-Q409 PolarHBondContact N-O 2.82Å; S407-Q409 PolarHBondContact O-N 2.86Å
410	S	84.7	Confident	79.7	Confident	29 Å²	29	56.6 Å²	56.6	20%	0.203	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	134.8	171	-176.9	0	0	0	0	109	P360 E361 S399	P360-S410 CarbonylContact C-O 3.6Å; P360-S410 WeakPolarHBondContact CA-O 3.32Å; E361-S410 WeakPolarHBondContact CB-O 3.3Å; E361-S410 PolarHBondContact N-O 2.86Å; E361-S410 VanDerWaalsContact OE2-CB 3.22Å; E361-S410 WeakPolarHBondContact OE2-CB 3.46Å; E361-S410 PolarHBondContact OE2-OG 3.43Å; S399-S410 VanDerWaalsContact CB-OG 3.29Å; S399-S410 WeakPolarHBondContact CB-OG 3.4Å
411	H	88.5	Confident	80.5	Confident	22 Å²	22	54.9 Å²	54.9	10%	0.102	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.2	175.8	-71.1	-102.6	0	0	0	109.5	T356 S357 E358 R359 S399 A400	T356-H411 HydrophobicContact CG2-CB 4Å; S357-H411 PolarHBondContact O-ND1 3.42Å; E358-H411 PolarHBondContact O-CE1 2.95Å; E358-H411 VanDerWaalsContact O-CE1 3.32Å; R359-H411 PolarHBondContact O-ND1 3.38Å; S399-H411 WeakPolarHBondContact CA-O 3.48Å; A400-H411 PolarHBondContact N-O 2.92Å; A400-H411 PolarHBondContact O-N 3.2Å
412	P	92	Very high	81.3	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.032	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	132.5	-178.4	33.9	-34.5	0	0	0	109.4	T356 S357 R359 V364 L366	T356-P412 WeakPolarHBondContact CA-O 3.44Å; S357-P412 PolarHBondContact N-O 2.94Å; R359-P412 VanDerWaalsContact O-CD 3.27Å; R359-P412 WeakPolarHBondContact O-CD 3.05Å; V364-P412 HydrophobicContact CB-CG 4.24Å; V364-P412 HydrophobicContact CG1-CG 4.17Å; L366-P412 HydrophobicContact CD1-CB 4.48Å; L366-P412 HydrophobicContact CD1-CG 4.47Å; L366-P412 VanDerWaalsContact CD1-O 3.28Å; L366-P412 WeakPolarHBondContact CD1-O 3.21Å; L366-P412 HydrophobicContact CG-CB 3.99Å; L366-P412 HydrophobicContact CG-CG 4.05Å
413	C	92.4	Very high	82.5	Confident	9 Å²	9	50.4 Å²	50.4	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.9	-172.7	170.6	0	0	0	0	110	T354 L355 R398 A400	T354-C413 WeakPolarHBondContact CG2-SG 3.41Å; L355-C413 CarbonylContact O-C 3.46Å; L355-C413 WeakPolarHBondContact O-CA 3.42Å; R398-C413 HydrophobicContact CB-CB 4.21Å; R398-C413 PolarHBondContact N-O 2.93Å; R398-C413 CarbonylContact O-C 3.57Å; R398-C413 WeakPolarHBondContact O-CA 3.22Å; R398-C413 WeakPolarHBondContact O-CB 3.34Å; R398-C413 PolarHBondContact O-N 3.03Å; A400-C413 HydrophobicContact CB-CB 4.48Å
414	I	94	Very high	83.6	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	111.7	175.3	-167.8	168.9	0	0	0	110	I245 L355 L366 P368 I395 R397	I245-I414 HydrophobicContact CB-CG2 4.43Å; I245-I414 HydrophobicContact CD1-CG2 3.82Å; I245-I414 HydrophobicContact CG2-CG2 4.04Å; L355-I414 HydrophobicContact CB-CG2 3.93Å; L355-I414 PolarHBondContact N-O 3.45Å; L355-I414 PolarHBondContact O-N 3.29Å; L366-I414 HydrophobicContact CB-CB 4.33Å; L366-I414 HydrophobicContact CB-CG2 4.13Å; L366-I414 HydrophobicContact CD1-CG2 4.02Å; P368-I414 HydrophobicContact CB-CD1 4.44Å; I395-I414 HydrophobicContact CG2-CD1 3.67Å; I395-I414 HydrophobicContact CG2-CG1 3.63Å; R397-I414 HydrophobicContact CG-CB 4.39Å; R397-I414 HydrophobicContact CG-CD1 3.98Å; R397-I414 HydrophobicContact CG-CG1 3.95Å
415	S	93.8	Very high	84.8	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.5	174.1	-57.3	0	0	0	0	109	I353 T354 T396	I353-S415 WeakPolarHBondContact O-CA 3.35Å; T354-S415 PolarHBondContact OG1-OG 2.85Å; T396-S415 PolarHBondContact N-O 2.92Å; T396-S415 PolarHBondContact O-N 3.26Å
416	V	93.9	Very high	86.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.6	171.8	-176.6	0	0	0	0	107.8	V247 F249 T352 I353 C374 I393 I395	V247-V416 HydrophobicContact CB-CB 4.26Å; V247-V416 HydrophobicContact CB-CG1 4.18Å; V247-V416 HydrophobicContact CB-CG2 4.1Å; V247-V416 HydrophobicContact CG2-CB 4.29Å; V247-V416 HydrophobicContact CG2-CG2 3.76Å; F249-V416 HydrophobicContact CE2-CG1 4.12Å; T352-V416 WeakPolarHBondContact CA-O 3.26Å; I353-V416 PolarHBondContact N-O 3.43Å; I353-V416 PolarHBondContact O-N 3.47Å; C374-V416 HydrophobicContact CB-CG1 4.27Å; I393-V416 HydrophobicContact CG2-CG1 3.41Å; I393-V416 VanDerWaalsContact CG2-CG1 3.41Å; I395-V416 HydrophobicContact CG1-CG1 4.37Å; I395-V416 HydrophobicContact CG1-CG2 4.46Å; I395-V416 HydrophobicContact CG2-CG2 4.33Å
417	T	93.1	Very high	87.8	Confident	10 Å²	10	31.7 Å²	31.7	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.1	-171.7	82.8	0	0	0	0	111.6	T352 I393 E394	T352-T417 HydrophobicContact CG2-CG2 3.43Å; T352-T417 VanDerWaalsContact CG2-CG2 3.43Å; I393-T417 WeakPolarHBondContact CA-O 3.42Å; E394-T417 PolarHBondContact N-O 2.88Å; E394-T417 PolarHBondContact O-N 2.58Å; E394-T417 PolarHBondContact O-OG1 2.81Å
418	C	91.6	Very high	89	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145.4	171.2	169.2	0	0	0	0	108.6	F249 D350 L351 I376 L389	F249-C418 HydrophobicContact CD2-CB 4.4Å; F249-C418 HydrophobicContact CE1-CB 4.36Å; F249-C418 HydrophobicContact CE2-CB 3.95Å; F249-C418 HydrophobicContact CZ-CB 3.93Å; D350-C418 CarbonylContact C-O 3.5Å; D350-C418 WeakPolarHBondContact CA-O 3.23Å; L351-C418 PolarHBondContact N-O 3.26Å; L351-C418 PolarHBondContact O-N 3.45Å; I376-C418 HydrophobicContact CD1-CB 4Å; I376-C418 WeakPolarHBondContact CD1-SG 3.3Å; L389-C418 VanDerWaalsContact CD1-SG 3.51Å
419	R	90.8	Very high	90.1	Very high	27 Å²	27	36.4 Å²	36.4	10%	0.102	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.1	177.8	-53.1	-159.5	-177.4	-113	-3.2	111.9	V348 Q349 D350 H390 H392 E394 M666	V348-R419 HydrophobicContact CG1-CB 4.13Å; Q349-R419 CarbonylContact O-C 3.56Å; Q349-R419 WeakPolarHBondContact O-CA 3.34Å; D350-R419 VanDerWaalsContact OD1-CD 3.3Å; D350-R419 WeakPolarHBondContact OD1-CD 3.44Å; D350-R419 WeakPolarHBondContact OD1-CG 3.42Å; D350-R419 IonicContact OD1-CZ 3.34Å; D350-R419 VanDerWaalsContact OD1-CZ 3.28Å; D350-R419 IonicContact OD1-NE 3.17Å; D350-R419 IonicContact OD1-NH1 2.73Å; D350-R419 PolarHBondContact OD1-NH1 2.92Å; D350-R419 IonicContact OD2-CZ 3.95Å; D350-R419 IonicContact OD2-NH1 2.82Å; D350-R419 PolarHBondContact OD2-NH1 3.08Å; D350-R419 IonicContact OD2-NH2 2.7Å; D350-R419 PolarHBondContact OD2-NH2 2.82Å; H390-R419 HydrophobicContact CB-CB 4.25Å; H390-R419 WeakPolarHBondContact CB-O 3.37Å; H390-R419 PolarHBondContact N-O 2.96Å; H392-R419 VanDerWaalsContact NE2-CD 3.34Å; H392-R419 WeakPolarHBondContact NE2-CD 3.42Å; E394-R419 IonicContact OE1-NH2 3.22Å; E394-R419 IonicContact OE2-CZ 3.33Å; E394-R419 IonicContact OE2-NE 2.74Å; E394-R419 IonicContact OE2-NH2 3.31Å; E394-R419 PolarHBondContact OE2-NH2 3.35Å; R419-M666 VanDerWaalsContact CD-SD 3.5Å
420	A	91	Very high	90.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.6	179	0	0	0	0	0	110.8	I255 V348 Q349 L351 W387 L389	I255-A420 HydrophobicContact CD1-CB 4.41Å; V348-A420 CarbonylContact C-O 3.59Å; V348-A420 WeakPolarHBondContact CA-O 3.26Å; Q349-A420 PolarHBondContact N-O 3.39Å; Q349-A420 PolarHBondContact O-N 3.08Å; L351-A420 HydrophobicContact CD1-CB 4.06Å; L351-A420 HydrophobicContact CG-CB 4.45Å; W387-A420 HydrophobicContact CE3-CB 3.87Å; W387-A420 HydrophobicContact CZ3-CB 4.31Å; W387-A420 WeakPolarHBondContact CZ3-O 3.21Å; L389-A420 HydrophobicContact CD1-CB 4.16Å
421	A	90.9	Very high	91.1	Very high	6 Å²	6	34.9 Å²	34.9	5%	0.05	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127	179.3	0	0	0	0	0	111.5	V348 W387 R388	V348-A421 HydrophobicContact CG1-CB 4.28Å; V348-A421 HydrophobicContact CG2-CB 3.89Å; W387-A421 CarbonylContact C-O 3.57Å; R388-A421 PolarHBondContact N-O 3.17Å; R388-A421 PolarHBondContact O-N 2.6Å
422	R	91.3	Very high	91.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	155.2	178.4	-158.6	-176.9	-56.3	-86.9	-4.4	112.1	F344 D347 E386 W387 P424 R663	F344-R422 VanDerWaalsContact CE2-CZ 3.44Å; D347-R422 PolarHBondContact O-N 3.36Å; D347-R422 IonicContact OD1-CZ 3.61Å; D347-R422 IonicContact OD1-NE 3.55Å; D347-R422 PolarHBondContact OD1-NE 3.49Å; D347-R422 IonicContact OD1-NH2 3.97Å; D347-R422 IonicContact OD2-CZ 3.79Å; D347-R422 IonicContact OD2-NE 3.42Å; D347-R422 PolarHBondContact OD2-NE 3.28Å; D347-R422 IonicContact OD2-NH2 2.74Å; D347-R422 PolarHBondContact OD2-NH2 3.41Å; E386-R422 HydrophobicContact CG-CG 3.86Å; E386-R422 CarbonylContact O-C 3.57Å; E386-R422 WeakPolarHBondContact OE1-CD 3.34Å; E386-R422 IonicContact OE1-CZ 2.66Å; E386-R422 IonicContact OE1-NE 3.6Å; E386-R422 IonicContact OE1-NH1 3.65Å; E386-R422 PolarHBondContact OE1-NH1 3.04Å; W387-R422 HydrophobicContact CE3-CB 4.21Å; W387-R422 HydrophobicContact CH2-CB 4.47Å; W387-R422 VanDerWaalsContact CH2-NH2 3.29Å; W387-R422 HydrophobicContact CZ3-CB 4.05Å; R422-P424 WeakPolarHBondContact O-CD 3.35Å; R422-R663 PolarHBondContact O-NH1 2.7Å; R422-R663 PolarHBondContact O-NH2 3.46Å
423	R	90.2	Very high	91.1	Very high	88 Å²	88	37.1 Å²	37.1	33%	0.332	17%	0.17	S	C	.	.			trans	-97.1	102.9	172.9	-65.1	-165.3	-164.9	-162.6	-1.6	109.1	Q384 Q385 E386 W387 R388 G425	Q384-R423 PolarHBondContact O-NE 2.94Å; Q384-R423 VanDerWaalsContact O-NE 3.07Å; Q384-R423 PolarHBondContact O-NH1 3.49Å; Q384-R423 PolarHBondContact O-NH2 3.04Å; Q385-R423 VanDerWaalsContact O-CD 3.32Å; Q385-R423 WeakPolarHBondContact O-CD 3.26Å; E386-R423 VanDerWaalsContact O-CB 3.3Å; E386-R423 WeakPolarHBondContact O-CB 3.42Å; E386-R423 WeakPolarHBondContact O-CG 3.39Å; E386-R423 PolarHBondContact O-N 2.94Å; W387-R423 PolarHBondContact O-NE 3.08Å; W387-R423 PolarHBondContact O-NH2 3.16Å; R388-R423 HydrophobicContact CG-CG 3.88Å; R388-R423 VanDerWaalsContact CG-NE 3.33Å; R423-G425 PolarHBondContact O-N 3.37Å
424	P	88.8	Confident	91.1	Very high	21 Å²	21	39.9 Å²	39.9	14%	0.136	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-1.6	-174.6	32.7	-42.1	0	0	0	114.3	P345 L346 R422 Y426 F427 Y428	P345-P424 HydrophobicContact CG-CB 4.45Å; L346-P424 HydrophobicContact CD2-CB 3.81Å; L346-P424 HydrophobicContact CD2-CG 3.63Å; L346-P424 HydrophobicContact CG-CB 4.28Å; R422-P424 WeakPolarHBondContact O-CD 3.35Å; P424-Y426 PolarHBondContact O-N 2.7Å; P424-F427 PolarHBondContact O-N 3.49Å; P424-F427 VanDerWaalsContact O-N 3.08Å; P424-Y428 HydrophobicContact CB-CD2 4.1Å; P424-Y428 HydrophobicContact CB-CE2 3.67Å; P424-Y428 HydrophobicContact CG-CD2 4.21Å; P424-Y428 HydrophobicContact CG-CE2 3.52Å; P424-Y428 WeakPolarHBondContact O-CD2 3.23Å; P424-Y428 PolarHBondContact O-N 3.31Å
425	G	88.8	Confident	90.9	Very high	34 Å²	34	39.9 Å²	39.9	35%	0.351	18%	0.184	S	C	.	.	H	α-helix	trans	-55.9	-44.9	-173	0	0	0	0	0	113.5	R423 F427 Y428 W429	R423-G425 PolarHBondContact O-N 3.37Å; G425-F427 VanDerWaalsContact C-N 3.35Å; G425-F427 PolarHBondContact O-N 3.29Å; G425-Y428 PolarHBondContact O-N 2.88Å; G425-W429 PolarHBondContact O-N 2.74Å
426	Y	89.7	Confident	90.8	Very high	151 Å²	151	43.7 Å²	43.7	59%	0.592	20%	0.2	S	C	*	.	H	α-helix	trans	-55.3	-49.4	174.5	175.1	-95.6	0	0	0	111.6	P424 Y428 W429 N430	P424-Y426 PolarHBondContact O-N 2.7Å; Y426-Y428 PolarHBondContact O-N 3.23Å; Y426-W429 PolarHBondContact O-N 3.06Å; Y426-N430 VanDerWaalsContact CD2-ND2 3.32Å; Y426-N430 WeakPolarHBondContact CD2-ND2 3.32Å; Y426-N430 WeakPolarHBondContact CE2-ND2 3.18Å; Y426-N430 VanDerWaalsContact O-CB 3.32Å; Y426-N430 WeakPolarHBondContact O-CB 3.49Å; Y426-N430 PolarHBondContact O-N 3.33Å
427	F	90.3	Very high	90.7	Very high	13 Å²	13	49.5 Å²	49.5	6%	0.057	23%	0.226	C	C	.	.	H	α-helix	trans	-69.9	-31.3	-177.8	-59.4	-86.9	0	0	0	112.9	F344 P345 P424 G425 V431 F432 M487	F344-F427 HydrophobicContact CE1-CD1 4.05Å; F344-F427 AromaticContact CE1-CE1 3.56Å; F344-F427 HydrophobicContact CE1-CE1 3.56Å; F344-F427 AromaticContact CE1-CZ 3.9Å; F344-F427 HydrophobicContact CE1-CZ 3.9Å; F344-F427 HydrophobicContact CE2-CZ 4.35Å; F344-F427 HydrophobicContact CZ-CD1 4.42Å; F344-F427 AromaticContact CZ-CE1 3.54Å; F344-F427 HydrophobicContact CZ-CE1 3.54Å; F344-F427 HydrophobicContact CZ-CE2 4.22Å; F344-F427 AromaticContact CZ-CZ 3.42Å; F344-F427 HydrophobicContact CZ-CZ 3.42Å; F344-F427 VanDerWaalsContact CZ-CZ 3.42Å; P345-F427 HydrophobicContact CB-CB 3.91Å; P345-F427 HydrophobicContact CB-CD1 4.08Å; P345-F427 HydrophobicContact CB-CD2 3.43Å; P345-F427 VanDerWaalsContact CB-CD2 3.43Å; P345-F427 HydrophobicContact CB-CE2 3.95Å; P345-F427 HydrophobicContact CB-CG 3.51Å; P345-F427 HydrophobicContact CB-CZ 4.48Å; P345-F427 HydrophobicContact CG-CB 3.6Å; P345-F427 HydrophobicContact CG-CD1 4.45Å; P345-F427 HydrophobicContact CG-CD2 4.12Å; P345-F427 HydrophobicContact CG-CG 3.8Å; P424-F427 PolarHBondContact O-N 3.49Å; P424-F427 VanDerWaalsContact O-N 3.08Å; G425-F427 VanDerWaalsContact C-N 3.35Å; G425-F427 PolarHBondContact O-N 3.29Å; F427-V431 HydrophobicContact CD1-CG2 4.19Å; F427-V431 CarbonylContact O-C 3.54Å; F427-V431 WeakPolarHBondContact O-CA 3.44Å; F427-V431 VanDerWaalsContact O-CB 3.3Å; F427-V431 WeakPolarHBondContact O-CB 3.23Å; F427-V431 PolarHBondContact O-N 2.85Å; F427-F432 HydrophobicContact CB-CE2 4.42Å; F427-F432 WeakPolarHBondContact O-CD2 3.36Å; F427-F432 PolarHBondContact O-N 3.25Å; F427-M487 HydrophobicContact CD1-SD 4.15Å
428	Y	89.4	Confident	90.7	Very high	84 Å²	84	49.8 Å²	49.8	33%	0.329	23%	0.227	S	C	.	.	I	π-helix	trans	-62.1	-50.6	172.8	-70.5	-47.5	0	0	0	112.4	P424 G425 Y426 F432 L433 L655	P424-Y428 HydrophobicContact CB-CD2 4.1Å; P424-Y428 HydrophobicContact CB-CE2 3.67Å; P424-Y428 HydrophobicContact CG-CD2 4.21Å; P424-Y428 HydrophobicContact CG-CE2 3.52Å; P424-Y428 WeakPolarHBondContact O-CD2 3.23Å; P424-Y428 PolarHBondContact O-N 3.31Å; G425-Y428 PolarHBondContact O-N 2.88Å; Y426-Y428 PolarHBondContact O-N 3.23Å; Y428-F432 AromaticContact CD1-CD2 3.72Å; Y428-F432 HydrophobicContact CD1-CD2 3.72Å; Y428-F432 HydrophobicContact CD1-CE2 4.26Å; Y428-F432 HydrophobicContact CD1-CG 4.44Å; Y428-F432 HydrophobicContact CE1-CD2 4.3Å; Y428-F432 HydrophobicContact CE1-CE2 4.44Å; Y428-L433 WeakPolarHBondContact O-CB 3.48Å; Y428-L433 PolarHBondContact O-N 2.82Å; Y428-L655 HydrophobicContact CE1-CD1 4.35Å; Y428-L655 HydrophobicContact CE1-CD2 4.03Å; Y428-L655 WeakPolarHBondContact OH-CD2 3.29Å
429	W	91.1	Very high	90.6	Very high	179 Å²	179	49.8 Å²	49.8	68%	0.678	23%	0.227	S	C	*	.	I	π-helix	trans	-74.7	-42.5	-177.9	-66.3	111.4	0	0	0	112.7	G425 Y426 L433	G425-W429 PolarHBondContact O-N 2.74Å; Y426-W429 PolarHBondContact O-N 3.06Å; W429-L433 HydrophobicContact CE3-CD1 3.86Å; W429-L433 HydrophobicContact CZ3-CD1 3.89Å
430	N	90.6	Very high	90.6	Very high	68 Å²	68	49.7 Å²	49.7	36%	0.364	23%	0.234	S	C	.	.	I	π-helix	trans	-93.6	-28.2	-171.7	-64.8	-14.2	0	0	0	113.8	Y426 I434 F470	Y426-N430 VanDerWaalsContact CD2-ND2 3.32Å; Y426-N430 WeakPolarHBondContact CD2-ND2 3.32Å; Y426-N430 WeakPolarHBondContact CE2-ND2 3.18Å; Y426-N430 VanDerWaalsContact O-CB 3.32Å; Y426-N430 WeakPolarHBondContact O-CB 3.49Å; Y426-N430 PolarHBondContact O-N 3.33Å; N430-I434 VanDerWaalsContact O-CD1 3.23Å; N430-I434 WeakPolarHBondContact O-CD1 3.33Å; N430-I434 WeakPolarHBondContact O-CG1 3.45Å; N430-F470 VanDerWaalsContact O-CZ 3.28Å; N430-F470 WeakPolarHBondContact O-CZ 3.48Å
431	V	90.6	Very high	90.6	Very high	11 Å²	11	54.5 Å²	54.5	7%	0.067	26%	0.259	C	S	.	.	I	π-helix	trans	-105.2	-60	-178.8	170.8	0	0	0	0	112.1	F427 M435 F470 I474 M487	F427-V431 HydrophobicContact CD1-CG2 4.19Å; F427-V431 CarbonylContact O-C 3.54Å; F427-V431 WeakPolarHBondContact O-CA 3.44Å; F427-V431 VanDerWaalsContact O-CB 3.3Å; F427-V431 WeakPolarHBondContact O-CB 3.23Å; F427-V431 PolarHBondContact O-N 2.85Å; V431-M435 WeakPolarHBondContact O-CB 3.41Å; V431-M435 PolarHBondContact O-N 3.04Å; V431-M435 VanDerWaalsContact O-N 3.11Å; V431-F470 HydrophobicContact CB-CE1 4.38Å; V431-F470 HydrophobicContact CG1-CE1 4.24Å; V431-F470 HydrophobicContact CG2-CE1 4.3Å; V431-F470 HydrophobicContact CG2-CZ 4.33Å; V431-I474 HydrophobicContact CG1-CD1 3.74Å; V431-I474 HydrophobicContact CG1-CG1 4.32Å; V431-I474 HydrophobicContact CG2-CD1 4.49Å; V431-I474 HydrophobicContact CG2-CG1 4.21Å; V431-M487 HydrophobicContact CG1-CG 4Å; V431-M487 HydrophobicContact CG1-SD 4.05Å
432	F	90.1	Very high	90.5	Very high	16 Å²	16	54.3 Å²	54.3	7%	0.07	26%	0.257	C	S	.	.	I	π-helix	trans	-66.7	-45.7	-173.2	-70.5	-72.9	0	0	0	112.2	P345 F427 Y428 F436 Y490 F651 L655	P345-F432 HydrophobicContact CG-CE2 3.95Å; F427-F432 HydrophobicContact CB-CE2 4.42Å; F427-F432 WeakPolarHBondContact O-CD2 3.36Å; F427-F432 PolarHBondContact O-N 3.25Å; Y428-F432 AromaticContact CD1-CD2 3.72Å; Y428-F432 HydrophobicContact CD1-CD2 3.72Å; Y428-F432 HydrophobicContact CD1-CE2 4.26Å; Y428-F432 HydrophobicContact CD1-CG 4.44Å; Y428-F432 HydrophobicContact CE1-CD2 4.3Å; Y428-F432 HydrophobicContact CE1-CE2 4.44Å; F432-F436 WeakPolarHBondContact O-CB 3.22Å; F432-F436 PolarHBondContact O-N 2.65Å; F432-Y490 HydrophobicContact CB-CE1 4.41Å; F432-Y490 AromaticContact CD1-CD1 3.45Å; F432-Y490 HydrophobicContact CD1-CD1 3.45Å; F432-Y490 VanDerWaalsContact CD1-CD1 3.45Å; F432-Y490 HydrophobicContact CD1-CD2 4.25Å; F432-Y490 AromaticContact CD1-CE1 3.62Å; F432-Y490 HydrophobicContact CD1-CE1 3.62Å; F432-Y490 HydrophobicContact CD1-CE2 4.38Å; F432-Y490 AromaticContact CD1-CG 3.77Å; F432-Y490 HydrophobicContact CD1-CG 3.77Å; F432-Y490 AromaticContact CE1-CD1 3.8Å; F432-Y490 HydrophobicContact CE1-CD1 3.8Å; F432-Y490 HydrophobicContact CE1-CD2 4.38Å; F432-Y490 HydrophobicContact CE1-CE1 4.41Å; F432-Y490 AromaticContact CE1-CG 3.76Å; F432-Y490 HydrophobicContact CE1-CG 3.76Å; F432-Y490 HydrophobicContact CG-CE1 4.47Å; F432-Y490 PolarHBondContact O-OH 3.47Å; F432-F651 AromaticContact CD1-CE1 3.9Å; F432-F651 HydrophobicContact CD1-CE1 3.9Å; F432-F651 HydrophobicContact CD1-CZ 4.41Å; F432-F651 AromaticContact CE1-CE1 3.52Å; F432-F651 HydrophobicContact CE1-CE1 3.52Å; F432-F651 AromaticContact CE1-CZ 3.6Å; F432-F651 HydrophobicContact CE1-CZ 3.6Å; F432-F651 HydrophobicContact CZ-CE1 4.38Å; F432-F651 HydrophobicContact CZ-CZ 4.28Å; F432-L655 HydrophobicContact CE1-CD1 4.24Å; F432-L655 HydrophobicContact CE2-CD1 4.38Å; F432-L655 HydrophobicContact CZ-CD1 3.94Å
433	L	90.6	Very high	90.3	Very high	58 Å²	58	56 Å²	56	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-68.7	-39.1	179.7	171.7	146.4	0	0	0	113.3	Y428 W429 F436 F437	Y428-L433 WeakPolarHBondContact O-CB 3.48Å; Y428-L433 PolarHBondContact O-N 2.82Å; W429-L433 HydrophobicContact CE3-CD1 3.86Å; W429-L433 HydrophobicContact CZ3-CD1 3.89Å; L433-F436 PolarHBondContact O-N 2.82Å; L433-F437 HydrophobicContact CD1-CE2 4.37Å; L433-F437 HydrophobicContact CD2-CD2 3.89Å; L433-F437 HydrophobicContact CD2-CE2 3.58Å; L433-F437 HydrophobicContact CG-CD2 4.26Å; L433-F437 HydrophobicContact CG-CE2 3.86Å; L433-F437 HydrophobicContact CG-CZ 4.37Å; L433-F437 PolarHBondContact O-N 2.78Å
434	I	92	Very high	90.1	Very high	67 Å²	67	54.5 Å²	54.5	34%	0.344	27%	0.271	S	S	.	.	H	α-helix	trans	-64.8	-45.9	176.5	-63.8	-168.5	0	0	0	110.6	N430 F436 F437 I438 F470	N430-I434 VanDerWaalsContact O-CD1 3.23Å; N430-I434 WeakPolarHBondContact O-CD1 3.33Å; N430-I434 WeakPolarHBondContact O-CG1 3.45Å; I434-F436 PolarHBondContact O-N 3.32Å; I434-F437 PolarHBondContact O-N 2.86Å; I434-F437 VanDerWaalsContact O-N 3.14Å; I434-I438 HydrophobicContact CG2-CD1 3.88Å; I434-I438 HydrophobicContact CG2-CG1 4.47Å; I434-I438 WeakPolarHBondContact O-CG1 3.48Å; I434-I438 PolarHBondContact O-N 3.46Å; I434-F470 HydrophobicContact CB-CZ 4.25Å; I434-F470 HydrophobicContact CG2-CD2 4.45Å; I434-F470 HydrophobicContact CG2-CE2 4.05Å; I434-F470 HydrophobicContact CG2-CZ 4.18Å
435	M	91.2	Very high	90	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-38.3	177	-78	-64.5	-64.1	0	0	112.6	V431 F437 I438 T439 S467 F470 Y490 V491 S494	V431-M435 WeakPolarHBondContact O-CB 3.41Å; V431-M435 PolarHBondContact O-N 3.04Å; V431-M435 VanDerWaalsContact O-N 3.11Å; M435-F437 VanDerWaalsContact C-N 3.31Å; M435-F437 PolarHBondContact O-N 2.82Å; M435-I438 PolarHBondContact O-N 3.2Å; M435-I438 HydrophobicContact SD-CD1 3.95Å; M435-T439 PolarHBondContact O-N 3.42Å; M435-T439 PolarHBondContact O-OG1 2.92Å; M435-S467 WeakPolarHBondContact CE-OG 3.39Å; M435-F470 HydrophobicContact CG-CD1 3.53Å; M435-F470 HydrophobicContact CG-CE1 3.74Å; M435-F470 HydrophobicContact SD-CB 4.14Å; M435-F470 HydrophobicContact SD-CD1 3.53Å; M435-F470 VanDerWaalsContact SD-CD1 3.53Å; M435-F470 HydrophobicContact SD-CE1 4.35Å; M435-F470 HydrophobicContact SD-CG 4.13Å; M435-Y490 HydrophobicContact CB-CD1 4.4Å; M435-Y490 HydrophobicContact CB-CE1 3.78Å; M435-V491 HydrophobicContact CE-CG1 4.3Å; M435-S494 WeakPolarHBondContact CE-OG 3.22Å
436	F	90.8	Very high	89.9	Confident	83 Å²	83	53.1 Å²	53.1	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-58.5	-39.6	171.4	176.7	-97.9	0	0	0	112.5	F432 L433 I434 T439 G440 Y644	F432-F436 WeakPolarHBondContact O-CB 3.22Å; F432-F436 PolarHBondContact O-N 2.65Å; L433-F436 PolarHBondContact O-N 2.82Å; I434-F436 PolarHBondContact O-N 3.32Å; F436-T439 PolarHBondContact O-OG1 3.26Å; F436-T439 VanDerWaalsContact O-OG1 3.11Å; F436-G440 PolarHBondContact O-N 2.82Å; F436-Y644 HydrophobicContact CD2-CE1 4.28Å; F436-Y644 AromaticContact CD2-CZ 3.95Å; F436-Y644 WeakPolarHBondContact CD2-OH 3.44Å; F436-Y644 AromaticContact CE2-CE1 3.65Å; F436-Y644 HydrophobicContact CE2-CE1 3.65Å; F436-Y644 AromaticContact CE2-CZ 3.8Å; F436-Y644 WeakPolarHBondContact CE2-OH 3.28Å; F436-Y644 HydrophobicContact CZ-CE1 4.2Å; F436-Y644 PolarHBondContact O-OH 2.87Å
437	F	92.1	Very high	89.7	Confident	122 Å²	122	50 Å²	50	54%	0.535	26%	0.26	S	S	.	.	H	α-helix	trans	-71.6	-38.5	174.6	-69.5	-36	0	0	0	113	L433 I434 M435 T439 G440 L441	L433-F437 HydrophobicContact CD1-CE2 4.37Å; L433-F437 HydrophobicContact CD2-CD2 3.89Å; L433-F437 HydrophobicContact CD2-CE2 3.58Å; L433-F437 HydrophobicContact CG-CD2 4.26Å; L433-F437 HydrophobicContact CG-CE2 3.86Å; L433-F437 HydrophobicContact CG-CZ 4.37Å; L433-F437 PolarHBondContact O-N 2.78Å; I434-F437 PolarHBondContact O-N 2.86Å; I434-F437 VanDerWaalsContact O-N 3.14Å; M435-F437 VanDerWaalsContact C-N 3.31Å; M435-F437 PolarHBondContact O-N 2.82Å; F437-T439 VanDerWaalsContact C-N 3.33Å; F437-T439 PolarHBondContact O-N 3.27Å; F437-G440 PolarHBondContact O-N 2.73Å; F437-L441 WeakPolarHBondContact O-CG 3.33Å; F437-L441 PolarHBondContact O-N 3.43Å
438	I	92.5	Very high	89.4	Confident	16 Å²	16	51 Å²	51	8%	0.082	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-42.1	175.7	-63.6	161.2	0	0	0	110.8	I434 M435 L463 T466 S467	I434-I438 HydrophobicContact CG2-CD1 3.88Å; I434-I438 HydrophobicContact CG2-CG1 4.47Å; I434-I438 WeakPolarHBondContact O-CG1 3.48Å; I434-I438 PolarHBondContact O-N 3.46Å; M435-I438 PolarHBondContact O-N 3.2Å; M435-I438 HydrophobicContact SD-CD1 3.95Å; I438-L463 HydrophobicContact CG2-CD2 4.32Å; I438-T466 HydrophobicContact CD1-CG2 3.93Å; I438-T466 HydrophobicContact CG1-CG2 4.21Å; I438-T466 HydrophobicContact CG2-CG2 4.36Å; I438-S467 VanDerWaalsContact CG2-OG 3.29Å; I438-S467 WeakPolarHBondContact CG2-OG 3.17Å
439	T	90.3	Very high	88.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-71.9	-36.6	174.2	48.3	0	0	0	0	113	M435 F436 F437 L441 S442 L498 Y644	M435-T439 PolarHBondContact O-N 3.42Å; M435-T439 PolarHBondContact O-OG1 2.92Å; F436-T439 PolarHBondContact O-OG1 3.26Å; F436-T439 VanDerWaalsContact O-OG1 3.11Å; F437-T439 VanDerWaalsContact C-N 3.33Å; F437-T439 PolarHBondContact O-N 3.27Å; T439-L441 VanDerWaalsContact C-N 3.28Å; T439-L441 PolarHBondContact O-N 3.44Å; T439-S442 WeakPolarHBondContact O-CB 3.34Å; T439-S442 PolarHBondContact O-N 3.28Å; T439-S442 PolarHBondContact O-OG 2.98Å; T439-L498 HydrophobicContact CG2-CD1 4.42Å; T439-L498 HydrophobicContact CG2-CG 4.27Å; T439-Y644 WeakPolarHBondContact OG1-CE2 3.37Å; T439-Y644 PolarHBondContact OG1-OH 2.87Å
440	G	89.9	Confident	88	Confident	24 Å²	24	43.2 Å²	43.2	25%	0.247	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-35.3	174.2	0	0	0	0	0	112.9	F436 F437 S442 F443 Y644	F436-G440 PolarHBondContact O-N 2.82Å; F437-G440 PolarHBondContact O-N 2.73Å; G440-S442 PolarHBondContact O-N 2.94Å; G440-F443 WeakPolarHBondContact O-CB 3.44Å; G440-F443 WeakPolarHBondContact O-CD2 3.42Å; G440-F443 PolarHBondContact O-N 3.32Å; G440-F443 VanDerWaalsContact O-N 3.1Å; G440-Y644 PolarHBondContact N-OH 2.6Å
441	L	91	Very high	87.2	Confident	101 Å²	101	45.4 Å²	45.4	53%	0.529	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-63.7	-17.9	173.9	-75.2	168.7	0	0	0	113.4	F437 T439 F443 A444 L463	F437-L441 WeakPolarHBondContact O-CG 3.33Å; F437-L441 PolarHBondContact O-N 3.43Å; T439-L441 VanDerWaalsContact C-N 3.28Å; T439-L441 PolarHBondContact O-N 3.44Å; L441-F443 PolarHBondContact O-N 2.97Å; L441-A444 WeakPolarHBondContact O-CB 3.3Å; L441-A444 PolarHBondContact O-N 3.43Å; L441-L463 HydrophobicContact CB-CD1 4.25Å; L441-L463 HydrophobicContact CB-CD2 3.8Å; L441-L463 HydrophobicContact CD1-CD2 4.37Å
442	S	89.3	Confident	86.7	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.014	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-61.2	-26.8	172.4	76.2	0	0	0	0	112.4	T439 G440 A444 T445	T439-S442 WeakPolarHBondContact O-CB 3.34Å; T439-S442 PolarHBondContact O-N 3.28Å; T439-S442 PolarHBondContact O-OG 2.98Å; G440-S442 PolarHBondContact O-N 2.94Å; S442-A444 VanDerWaalsContact C-N 3.3Å; S442-A444 PolarHBondContact O-N 3.43Å; S442-T445 WeakPolarHBondContact O-CB 3.3Å; S442-T445 WeakPolarHBondContact O-CG2 3.5Å; S442-T445 PolarHBondContact O-N 3.47Å; S442-T445 PolarHBondContact O-OG1 3.25Å
443	F	86.1	Confident	86.2	Confident	39 Å²	39	53.4 Å²	53.4	17%	0.171	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-65.9	-29.5	174.6	-64.1	-52.9	0	0	0	113.5	G440 L441 T445 F446 F637 F640 C641 Y644	G440-F443 WeakPolarHBondContact O-CB 3.44Å; G440-F443 WeakPolarHBondContact O-CD2 3.42Å; G440-F443 PolarHBondContact O-N 3.32Å; G440-F443 VanDerWaalsContact O-N 3.1Å; L441-F443 PolarHBondContact O-N 2.97Å; F443-T445 PolarHBondContact O-N 2.87Å; F443-F446 PolarHBondContact O-N 2.93Å; F443-F637 HydrophobicContact CB-CE2 3.98Å; F443-F637 HydrophobicContact CD1-CD2 4.37Å; F443-F637 AromaticContact CD1-CE2 4Å; F443-F637 HydrophobicContact CD1-CE2 4Å; F443-F637 HydrophobicContact CG-CE2 4.33Å; F443-F640 HydrophobicContact CE1-CB 4.2Å; F443-C641 VanDerWaalsContact CD1-SG 3.58Å; F443-C641 HydrophobicContact CE1-CB 4.39Å; F443-C641 WeakPolarHBondContact CE1-SG 3.31Å; F443-Y644 AromaticContact CE2-CD1 3.58Å; F443-Y644 HydrophobicContact CE2-CD1 3.58Å; F443-Y644 HydrophobicContact CE2-CD2 4.18Å; F443-Y644 AromaticContact CE2-CE1 3.85Å; F443-Y644 HydrophobicContact CE2-CE1 3.85Å; F443-Y644 HydrophobicContact CE2-CE2 4.42Å; F443-Y644 AromaticContact CE2-CG 3.76Å; F443-Y644 HydrophobicContact CE2-CG 3.76Å; F443-Y644 AromaticContact CZ-CD1 3.78Å; F443-Y644 HydrophobicContact CZ-CD1 3.78Å; F443-Y644 HydrophobicContact CZ-CD2 4.03Å; F443-Y644 HydrophobicContact CZ-CE1 4.46Å; F443-Y644 AromaticContact CZ-CG 3.53Å; F443-Y644 HydrophobicContact CZ-CG 3.53Å
444	A	87	Confident	86.1	Confident	56 Å²	56	58.1 Å²	58.1	46%	0.463	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-64.3	-24.1	175.7	0	0	0	0	0	112.5	L441 S442 F446 A447	L441-A444 WeakPolarHBondContact O-CB 3.3Å; L441-A444 PolarHBondContact O-N 3.43Å; S442-A444 VanDerWaalsContact C-N 3.3Å; S442-A444 PolarHBondContact O-N 3.43Å; A444-F446 PolarHBondContact O-N 3Å; A444-A447 WeakPolarHBondContact O-CB 3.28Å; A444-A447 PolarHBondContact O-N 2.84Å; A444-A447 VanDerWaalsContact O-N 3.13Å
445	T	87.6	Confident	85.9	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.012	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-64.9	-27.7	177.4	69.2	0	0	0	0	113	S442 F443 A447 V448 L459 L463 H505	S442-T445 WeakPolarHBondContact O-CB 3.3Å; S442-T445 WeakPolarHBondContact O-CG2 3.5Å; S442-T445 PolarHBondContact O-N 3.47Å; S442-T445 PolarHBondContact O-OG1 3.25Å; F443-T445 PolarHBondContact O-N 2.87Å; T445-A447 VanDerWaalsContact C-N 3.31Å; T445-A447 PolarHBondContact O-N 2.7Å; T445-V448 PolarHBondContact O-N 3.22Å; T445-L459 HydrophobicContact CG2-CB 3.82Å; T445-L463 HydrophobicContact CG2-CD1 4.29Å; T445-H505 PolarHBondContact OG1-NE2 2.88Å
446	F	85.6	Confident	85.8	Confident	23 Å²	23	58.4 Å²	58.4	10%	0.101	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-75.3	-18.3	176.5	-65	-95.7	0	0	0	112.9	F443 A444 V448 V501 W504 F637 F640	F443-F446 PolarHBondContact O-N 2.93Å; A444-F446 PolarHBondContact O-N 3Å; F446-V448 VanDerWaalsContact C-N 3.29Å; F446-V501 HydrophobicContact CE2-CG1 3.95Å; F446-V501 HydrophobicContact CZ-CG1 4.18Å; F446-W504 AromaticContact CE1-CD1 3.72Å; F446-W504 AromaticContact CE1-NE1 3.85Å; F446-F637 HydrophobicContact CB-CD2 3.71Å; F446-F637 HydrophobicContact CB-CE2 4.32Å; F446-F637 HydrophobicContact CD1-CB 4.22Å; F446-F637 HydrophobicContact CD1-CD2 4.34Å; F446-F637 AromaticContact CD2-CD2 3.98Å; F446-F637 HydrophobicContact CD2-CD2 3.98Å; F446-F637 HydrophobicContact CG-CB 4.47Å; F446-F637 AromaticContact CG-CD2 3.76Å; F446-F637 HydrophobicContact CG-CD2 3.76Å; F446-F640 AromaticContact CE1-CD2 3.98Å; F446-F640 HydrophobicContact CE1-CD2 3.98Å; F446-F640 HydrophobicContact CE1-CE2 4.29Å; F446-F640 AromaticContact CZ-CD2 3.54Å; F446-F640 HydrophobicContact CZ-CD2 3.54Å; F446-F640 AromaticContact CZ-CE2 3.93Å; F446-F640 HydrophobicContact CZ-CE2 3.93Å; F446-F640 HydrophobicContact CZ-CG 4.36Å
447	A	84.7	Confident	85.7	Confident	87 Å²	87	56.9 Å²	56.9	72%	0.719	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-75.6	-17.5	175.4	0	0	0	0	0	113.1	A444 T445	A444-A447 WeakPolarHBondContact O-CB 3.28Å; A444-A447 PolarHBondContact O-N 2.84Å; A444-A447 VanDerWaalsContact O-N 3.13Å; T445-A447 VanDerWaalsContact C-N 3.31Å; T445-A447 PolarHBondContact O-N 2.7Å
448	V	84.4	Confident	85.7	Confident	34 Å²	34	57.2 Å²	57.2	21%	0.206	31%	0.313	C	S	.	.	S	Bend	trans	-74	130.9	172.4	-178.5	0	0	0	0	109	T445 F446 N455 R456 L459	T445-V448 PolarHBondContact O-N 3.22Å; F446-V448 VanDerWaalsContact C-N 3.29Å; V448-N455 HydrophobicContact CG1-CB 4.11Å; V448-R456 HydrophobicContact CB-CG 3.9Å; V448-R456 HydrophobicContact CG1-CG 3.97Å; V448-R456 VanDerWaalsContact O-CZ 3.22Å; V448-R456 PolarHBondContact O-NE 3.06Å; V448-R456 PolarHBondContact O-NH2 2.81Å; V448-L459 HydrophobicContact CG2-CD1 3.85Å
449	P	77.5	Confident	85.7	Confident	71 Å²	71	60.2 Å²	60.2	46%	0.461	33%	0.329	S	S	.	.			trans	-61.3	146	179	-25.4	34.9	0	0	0	113.6	E451 R452	P449-E451 PolarHBondContact O-N 2.91Å; P449-E451 VanDerWaalsContact O-N 3.12Å; P449-R452 PolarHBondContact O-N 2.82Å
450	P	74.8	Confident	85.8	Confident	27 Å²	27	60.3 Å²	60.3	18%	0.175	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.9	-179.9	24.2	-32.4	0	0	0	114.3	R452 M629 E633	P450-R452 PolarHBondContact O-N 2.94Å; P450-M629 HydrophobicContact CB-CE 3.49Å; P450-M629 VanDerWaalsContact CB-CE 3.49Å; P450-M629 HydrophobicContact CB-SD 4.01Å; P450-M629 HydrophobicContact CG-CE 4.03Å; P450-M629 HydrophobicContact CG-SD 3.87Å; P450-E633 WeakPolarHBondContact CB-OE1 3.47Å
451	E	73.2	Confident	85.9	Confident	115 Å²	115	64.9 Å²	64.9	54%	0.537	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-7.8	177.7	-57.1	-174.1	141.8	0	0	114	P449 R626	P449-E451 PolarHBondContact O-N 2.91Å; P449-E451 VanDerWaalsContact O-N 3.12Å; E451-R626 IonicContact OE1-CZ 3.28Å; E451-R626 VanDerWaalsContact OE1-CZ 3.25Å; E451-R626 IonicContact OE1-NH1 2.65Å; E451-R626 PolarHBondContact OE1-NH1 3.49Å; E451-R626 IonicContact OE1-NH2 3.55Å; E451-R626 PolarHBondContact OE1-NH2 2.86Å
452	R	79.7	Confident	86	Confident	143 Å²	143	63.6 Å²	63.6	54%	0.54	34%	0.34	S	S	.	.			trans	-134.9	80.3	174.4	-68.8	179.7	-172.7	72.8	-0.1	110.8	P449 P450 E454 N455	P449-R452 PolarHBondContact O-N 2.82Å; P450-R452 PolarHBondContact O-N 2.94Å; R452-E454 VanDerWaalsContact C-N 3.26Å; R452-E454 PolarHBondContact O-N 2.91Å; R452-N455 HydrophobicContact CB-CB 4.46Å; R452-N455 PolarHBondContact O-N 2.98Å
453	P	80.8	Confident	86.3	Confident	52 Å²	52	64.6 Å²	64.6	34%	0.338	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-31.5	-178.6	24.7	-33.7	0	0	0	113.1	N455 R456 L457 T509	P453-N455 PolarHBondContact O-N 3.49Å; P453-R456 PolarHBondContact O-N 3.04Å; P453-L457 WeakPolarHBondContact O-CB 3.48Å; P453-L457 PolarHBondContact O-N 3.29Å; P453-T509 HydrophobicContact CB-CG2 3.49Å; P453-T509 VanDerWaalsContact CB-CG2 3.49Å; P453-T509 HydrophobicContact CG-CG2 4.37Å
454	E	86.7	Confident	86.6	Confident	156 Å²	156	66.3 Å²	66.3	73%	0.729	35%	0.352	S	S	*	.	H	α-helix	trans	-51.5	-52.1	176.2	-64.7	167.7	-167.6	0	0	111.7	R452 R456 L457 Q458	R452-E454 VanDerWaalsContact C-N 3.26Å; R452-E454 PolarHBondContact O-N 2.91Å; E454-R456 PolarHBondContact O-N 3.04Å; E454-L457 PolarHBondContact O-N 2.74Å; E454-Q458 WeakPolarHBondContact O-CB 3.46Å; E454-Q458 PolarHBondContact O-N 2.7Å
455	N	89.2	Confident	87	Confident	70 Å²	70	69.4 Å²	69.4	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-39.7	-179.6	-65.7	34.7	0	0	0	112.5	V448 R452 P453 L459	V448-N455 HydrophobicContact CG1-CB 4.11Å; R452-N455 HydrophobicContact CB-CB 4.46Å; R452-N455 PolarHBondContact O-N 2.98Å; P453-N455 PolarHBondContact O-N 3.49Å; N455-L459 WeakPolarHBondContact O-CG 3.47Å; N455-L459 PolarHBondContact O-N 2.83Å
456	R	88.3	Confident	87.3	Confident	4 Å²	4	72.2 Å²	72.2	2%	0.015	38%	0.378	C	S	.	.	H	α-helix	trans	-63.5	-50.8	177.4	-76.3	178.1	163.9	-170.5	0.3	110.7	V448 P453 E454 Q458 L459 S460 E633	V448-R456 HydrophobicContact CB-CG 3.9Å; V448-R456 HydrophobicContact CG1-CG 3.97Å; V448-R456 VanDerWaalsContact O-CZ 3.22Å; V448-R456 PolarHBondContact O-NE 3.06Å; V448-R456 PolarHBondContact O-NH2 2.81Å; P453-R456 PolarHBondContact O-N 3.04Å; E454-R456 PolarHBondContact O-N 3.04Å; R456-Q458 PolarHBondContact O-N 3.38Å; R456-L459 PolarHBondContact O-N 2.77Å; R456-S460 PolarHBondContact O-N 2.84Å; R456-S460 PolarHBondContact O-OG 2.68Å; R456-E633 IonicContact CZ-OE1 3.69Å; R456-E633 IonicContact CZ-OE2 2.72Å; R456-E633 IonicContact NH1-OE1 3.47Å; R456-E633 PolarHBondContact NH1-OE1 2.81Å; R456-E633 IonicContact NH1-OE2 3.65Å; R456-E633 IonicContact NH2-OE1 3.87Å; R456-E633 PolarHBondContact NH2-OE1 3.05Å; R456-E633 IonicContact NH2-OE2 2.77Å; R456-E633 PolarHBondContact NH2-OE2 3.31Å
457	L	89.2	Confident	87.7	Confident	50 Å²	50	71.1 Å²	71.1	26%	0.262	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-38.9	-177.9	-172.4	62.5	0	0	0	111.9	P453 E454 S460 F461	P453-L457 WeakPolarHBondContact O-CB 3.48Å; P453-L457 PolarHBondContact O-N 3.29Å; E454-L457 PolarHBondContact O-N 2.74Å; L457-S460 PolarHBondContact O-N 3.16Å; L457-F461 HydrophobicContact CD1-CD2 4.14Å; L457-F461 HydrophobicContact CD1-CE1 4.43Å; L457-F461 HydrophobicContact CD1-CE2 3.62Å; L457-F461 HydrophobicContact CD1-CZ 3.78Å; L457-F461 HydrophobicContact CD2-CE2 3.88Å; L457-F461 HydrophobicContact CG-CD2 3.87Å; L457-F461 HydrophobicContact CG-CE2 3.49Å; L457-F461 VanDerWaalsContact CG-CE2 3.49Å; L457-F461 HydrophobicContact CG-CZ 4.18Å; L457-F461 WeakPolarHBondContact O-CD2 3.48Å; L457-F461 PolarHBondContact O-N 2.74Å
458	Q	92.4	Very high	88.2	Confident	130 Å²	130	68.9 Å²	68.9	61%	0.607	35%	0.35	S	S	*	.	H	α-helix	trans	-59.1	-46.4	174	-176.2	-179.1	1.8	0	0	112.1	E454 R456 F461 T462	E454-Q458 WeakPolarHBondContact O-CB 3.46Å; E454-Q458 PolarHBondContact O-N 2.7Å; R456-Q458 PolarHBondContact O-N 3.38Å; Q458-F461 PolarHBondContact O-N 2.82Å; Q458-T462 WeakPolarHBondContact O-CB 3.47Å; Q458-T462 PolarHBondContact O-N 2.99Å; Q458-T462 PolarHBondContact O-OG1 2.93Å
459	L	92.3	Very high	88.6	Confident	78 Å²	78	69.7 Å²	69.7	41%	0.408	36%	0.361	S	S	.	.	H	α-helix	trans	-63.8	-43	176.7	-70.1	169.5	0	0	0	111.7	T445 V448 N455 R456 T462 L463	T445-L459 HydrophobicContact CG2-CB 3.82Å; V448-L459 HydrophobicContact CG2-CD1 3.85Å; N455-L459 WeakPolarHBondContact O-CG 3.47Å; N455-L459 PolarHBondContact O-N 2.83Å; R456-L459 PolarHBondContact O-N 2.77Å; L459-T462 PolarHBondContact O-N 2.9Å; L459-L463 WeakPolarHBondContact O-CG 3.4Å; L459-L463 PolarHBondContact O-N 2.85Å
460	S	91.4	Very high	89.3	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-45	177	-57.6	0	0	0	0	112.5	R456 L457 T462 L463 F464 S502 H505	R456-S460 PolarHBondContact O-N 2.84Å; R456-S460 PolarHBondContact O-OG 2.68Å; L457-S460 PolarHBondContact O-N 3.16Å; S460-T462 VanDerWaalsContact C-N 3.34Å; S460-T462 PolarHBondContact O-N 2.65Å; S460-L463 PolarHBondContact O-N 2.74Å; S460-F464 WeakPolarHBondContact O-CB 3.29Å; S460-F464 PolarHBondContact O-N 3.29Å; S460-S502 WeakPolarHBondContact CB-OG 3.34Å; S460-H505 PolarHBondContact OG-CD2 2.79Å; S460-H505 VanDerWaalsContact OG-CD2 3.24Å
461	F	92.2	Very high	90.2	Very high	120 Å²	120	69.6 Å²	69.6	53%	0.526	35%	0.35	S	S	.	.	H	α-helix	trans	-67.6	-32.3	175.5	-72	-40.4	0	0	0	113.2	L457 Q458 F464 L465	L457-F461 HydrophobicContact CD1-CD2 4.14Å; L457-F461 HydrophobicContact CD1-CE1 4.43Å; L457-F461 HydrophobicContact CD1-CE2 3.62Å; L457-F461 HydrophobicContact CD1-CZ 3.78Å; L457-F461 HydrophobicContact CD2-CE2 3.88Å; L457-F461 HydrophobicContact CG-CD2 3.87Å; L457-F461 HydrophobicContact CG-CE2 3.49Å; L457-F461 VanDerWaalsContact CG-CE2 3.49Å; L457-F461 HydrophobicContact CG-CZ 4.18Å; L457-F461 WeakPolarHBondContact O-CD2 3.48Å; L457-F461 PolarHBondContact O-N 2.74Å; Q458-F461 PolarHBondContact O-N 2.82Å; F461-F464 PolarHBondContact O-N 3.03Å; F461-L465 WeakPolarHBondContact O-CB 3.4Å; F461-L465 PolarHBondContact O-N 2.79Å
462	T	94.4	Very high	91	Very high	74 Å²	74	70.5 Å²	70.5	45%	0.454	35%	0.353	S	S	.	.	H	α-helix	trans	-64.6	-46.7	174.2	-59.4	0	0	0	0	110.7	Q458 L459 S460 F464 L465 T466	Q458-T462 WeakPolarHBondContact O-CB 3.47Å; Q458-T462 PolarHBondContact O-N 2.99Å; Q458-T462 PolarHBondContact O-OG1 2.93Å; L459-T462 PolarHBondContact O-N 2.9Å; S460-T462 VanDerWaalsContact C-N 3.34Å; S460-T462 PolarHBondContact O-N 2.65Å; T462-F464 PolarHBondContact O-N 2.82Å; T462-L465 PolarHBondContact O-N 2.81Å; T462-T466 PolarHBondContact O-N 3.32Å; T462-T466 PolarHBondContact O-OG1 3.32Å
463	L	93.8	Very high	91.6	Very high	22 Å²	22	67.8 Å²	67.8	12%	0.115	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-41.4	175.3	-67.7	172.2	0	0	0	112.4	I438 L441 T445 L459 S460 T466 S467 L498	I438-L463 HydrophobicContact CG2-CD2 4.32Å; L441-L463 HydrophobicContact CB-CD1 4.25Å; L441-L463 HydrophobicContact CB-CD2 3.8Å; L441-L463 HydrophobicContact CD1-CD2 4.37Å; T445-L463 HydrophobicContact CG2-CD1 4.29Å; L459-L463 WeakPolarHBondContact O-CG 3.4Å; L459-L463 PolarHBondContact O-N 2.85Å; S460-L463 PolarHBondContact O-N 2.74Å; L463-T466 WeakPolarHBondContact O-CB 3.47Å; L463-T466 PolarHBondContact O-N 3.24Å; L463-S467 PolarHBondContact O-N 3.09Å; L463-L498 HydrophobicContact CB-CD2 4.09Å
464	F	93.9	Very high	92	Very high	75 Å²	75	65.6 Å²	65.6	33%	0.329	34%	0.337	S	S	.	.	H	α-helix	trans	-60.5	-46	175.8	-173	-93.2	0	0	0	111.8	S460 F461 T462 T466 S467 V468 L495 L498	S460-F464 WeakPolarHBondContact O-CB 3.29Å; S460-F464 PolarHBondContact O-N 3.29Å; F461-F464 PolarHBondContact O-N 3.03Å; T462-F464 PolarHBondContact O-N 2.82Å; F464-T466 VanDerWaalsContact C-N 3.34Å; F464-T466 PolarHBondContact O-N 3.07Å; F464-S467 PolarHBondContact O-N 3.2Å; F464-V468 HydrophobicContact CD1-CG2 4.2Å; F464-V468 HydrophobicContact CE1-CG2 3.91Å; F464-V468 HydrophobicContact CZ-CG2 4.36Å; F464-V468 WeakPolarHBondContact O-CG2 3.23Å; F464-V468 PolarHBondContact O-N 3.45Å; F464-L495 HydrophobicContact CD2-CD2 4.02Å; F464-L495 HydrophobicContact CE2-CD2 3.89Å; F464-L495 HydrophobicContact CZ-CD2 4.36Å; F464-L498 HydrophobicContact CD2-CB 4.22Å
465	L	94.7	Very high	92.1	Very high	121 Å²	121	61.7 Å²	61.7	63%	0.634	32%	0.321	S	S	*	.	H	α-helix	trans	-63.1	-39.2	175.6	-176.6	61.7	0	0	0	111.8	F461 T462 V468 A469	F461-L465 WeakPolarHBondContact O-CB 3.4Å; F461-L465 PolarHBondContact O-N 2.79Å; T462-L465 PolarHBondContact O-N 2.81Å; L465-V468 PolarHBondContact O-N 3.42Å; L465-A469 WeakPolarHBondContact O-CB 3Å; L465-A469 PolarHBondContact O-N 3.26Å
466	T	94.9	Very high	92.1	Very high	62 Å²	62	65.1 Å²	65.1	38%	0.38	34%	0.335	S	S	.	.	H	α-helix	trans	-60.6	-45.6	174.8	-57.7	0	0	0	0	111.8	I438 T462 L463 F464 V468 A469 F470	I438-T466 HydrophobicContact CD1-CG2 3.93Å; I438-T466 HydrophobicContact CG1-CG2 4.21Å; I438-T466 HydrophobicContact CG2-CG2 4.36Å; T462-T466 PolarHBondContact O-N 3.32Å; T462-T466 PolarHBondContact O-OG1 3.32Å; L463-T466 WeakPolarHBondContact O-CB 3.47Å; L463-T466 PolarHBondContact O-N 3.24Å; F464-T466 VanDerWaalsContact C-N 3.34Å; F464-T466 PolarHBondContact O-N 3.07Å; T466-V468 PolarHBondContact O-N 3.15Å; T466-A469 PolarHBondContact O-N 3.49Å; T466-F470 WeakPolarHBondContact O-CB 3.44Å; T466-F470 PolarHBondContact O-N 3.48Å
467	S	93.6	Very high	92	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.3	-33.7	175.1	-72.7	0	0	0	0	113.3	M435 I438 L463 F464 K471 L495 L498	M435-S467 WeakPolarHBondContact CE-OG 3.39Å; I438-S467 VanDerWaalsContact CG2-OG 3.29Å; I438-S467 WeakPolarHBondContact CG2-OG 3.17Å; L463-S467 PolarHBondContact O-N 3.09Å; F464-S467 PolarHBondContact O-N 3.2Å; S467-K471 PolarHBondContact O-N 3.44Å; S467-L495 VanDerWaalsContact CB-CD2 3.49Å; S467-L498 VanDerWaalsContact OG-CD1 3.28Å; S467-L498 WeakPolarHBondContact OG-CD1 3.27Å
468	V	94.2	Very high	91.9	Very high	39 Å²	39	65.3 Å²	65.3	24%	0.236	34%	0.34	C	S	.	.	H	α-helix	trans	-68.4	-41.8	173.2	170.1	0	0	0	0	111.3	F464 L465 T466 K471 F472 L495	F464-V468 HydrophobicContact CD1-CG2 4.2Å; F464-V468 HydrophobicContact CE1-CG2 3.91Å; F464-V468 HydrophobicContact CZ-CG2 4.36Å; F464-V468 WeakPolarHBondContact O-CG2 3.23Å; F464-V468 PolarHBondContact O-N 3.45Å; L465-V468 PolarHBondContact O-N 3.42Å; T466-V468 PolarHBondContact O-N 3.15Å; V468-K471 WeakPolarHBondContact O-CB 3.47Å; V468-K471 PolarHBondContact O-N 3.2Å; V468-F472 HydrophobicContact CG1-CD2 4.27Å; V468-F472 HydrophobicContact CG1-CE2 3.69Å; V468-F472 HydrophobicContact CG1-CZ 4.47Å; V468-F472 WeakPolarHBondContact O-CD2 3.41Å; V468-F472 PolarHBondContact O-N 3.2Å; V468-L495 HydrophobicContact CG2-CD2 3.84Å
469	A	94.2	Very high	91.7	Very high	52 Å²	52	60.2 Å²	60.2	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-61.2	-44.4	173.6	0	0	0	0	0	111.4	L465 T466 K471 F472 V473	L465-A469 WeakPolarHBondContact O-CB 3Å; L465-A469 PolarHBondContact O-N 3.26Å; T466-A469 PolarHBondContact O-N 3.49Å; A469-K471 VanDerWaalsContact C-N 3.32Å; A469-K471 PolarHBondContact O-N 3.12Å; A469-F472 WeakPolarHBondContact O-CB 3.4Å; A469-F472 PolarHBondContact O-N 2.94Å; A469-V473 PolarHBondContact O-N 2.96Å
470	F	92.2	Very high	91.4	Very high	37 Å²	37	67 Å²	67	16%	0.162	34%	0.344	C	S	.	.	H	α-helix	trans	-63.7	-36.6	177.4	-160.5	-104.7	0	0	0	112.5	N430 V431 I434 M435 T466 F472 V473 I474	N430-F470 VanDerWaalsContact O-CZ 3.28Å; N430-F470 WeakPolarHBondContact O-CZ 3.48Å; V431-F470 HydrophobicContact CB-CE1 4.38Å; V431-F470 HydrophobicContact CG1-CE1 4.24Å; V431-F470 HydrophobicContact CG2-CE1 4.3Å; V431-F470 HydrophobicContact CG2-CZ 4.33Å; I434-F470 HydrophobicContact CB-CZ 4.25Å; I434-F470 HydrophobicContact CG2-CD2 4.45Å; I434-F470 HydrophobicContact CG2-CE2 4.05Å; I434-F470 HydrophobicContact CG2-CZ 4.18Å; M435-F470 HydrophobicContact CG-CD1 3.53Å; M435-F470 HydrophobicContact CG-CE1 3.74Å; M435-F470 HydrophobicContact SD-CB 4.14Å; M435-F470 HydrophobicContact SD-CD1 3.53Å; M435-F470 VanDerWaalsContact SD-CD1 3.53Å; M435-F470 HydrophobicContact SD-CE1 4.35Å; M435-F470 HydrophobicContact SD-CG 4.13Å; T466-F470 WeakPolarHBondContact O-CB 3.44Å; T466-F470 PolarHBondContact O-N 3.48Å; F470-F472 VanDerWaalsContact C-N 3.29Å; F470-F472 PolarHBondContact O-N 3.45Å; F470-V473 PolarHBondContact O-N 3.48Å; F470-I474 HydrophobicContact CD1-CD1 3.68Å; F470-I474 HydrophobicContact CD1-CG1 4.24Å; F470-I474 HydrophobicContact CE1-CD1 3.71Å; F470-I474 HydrophobicContact CE1-CG1 4.1Å; F470-I474 WeakPolarHBondContact O-CG1 3.4Å; F470-I474 PolarHBondContact O-N 3.23Å
471	K	92.1	Very high	91.2	Very high	59 Å²	59	69.1 Å²	69.1	26%	0.257	36%	0.355	S	S	.	.	H	α-helix	trans	-59.1	-36.8	170.7	-172.1	-178.7	177.8	-175.2	0	112.6	S467 V468 A469 I474 N475 V491 L495	S467-K471 PolarHBondContact O-N 3.44Å; V468-K471 WeakPolarHBondContact O-CB 3.47Å; V468-K471 PolarHBondContact O-N 3.2Å; A469-K471 VanDerWaalsContact C-N 3.32Å; A469-K471 PolarHBondContact O-N 3.12Å; K471-I474 PolarHBondContact O-N 3.2Å; K471-N475 WeakPolarHBondContact O-CB 3.45Å; K471-N475 VanDerWaalsContact O-CG 3.22Å; K471-N475 PolarHBondContact O-N 3.3Å; K471-N475 PolarHBondContact O-OD1 2.93Å; K471-V491 HydrophobicContact CB-CG1 3.86Å; K471-V491 HydrophobicContact CD-CG1 4.15Å; K471-V491 HydrophobicContact CG-CG1 3.92Å; K471-L495 HydrophobicContact CD-CD1 4.4Å
472	F	91.6	Very high	91.1	Very high	134 Å²	134	69.6 Å²	69.6	59%	0.588	37%	0.373	S	S	*	.	H	α-helix	trans	-67.8	-36.9	176.4	-71.5	-61.5	0	0	0	112.8	V468 A469 F470 N475 Q476	V468-F472 HydrophobicContact CG1-CD2 4.27Å; V468-F472 HydrophobicContact CG1-CE2 3.69Å; V468-F472 HydrophobicContact CG1-CZ 4.47Å; V468-F472 WeakPolarHBondContact O-CD2 3.41Å; V468-F472 PolarHBondContact O-N 3.2Å; A469-F472 WeakPolarHBondContact O-CB 3.4Å; A469-F472 PolarHBondContact O-N 2.94Å; F470-F472 VanDerWaalsContact C-N 3.29Å; F470-F472 PolarHBondContact O-N 3.45Å; F472-N475 PolarHBondContact O-N 2.98Å; F472-Q476 WeakPolarHBondContact O-CG 3.36Å; F472-Q476 PolarHBondContact O-N 3.46Å
473	V	91.9	Very high	90.9	Very high	85 Å²	85	70 Å²	70	52%	0.515	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-45.1	173.1	-179.5	0	0	0	0	110.6	A469 F470 N475 Q476	A469-V473 PolarHBondContact O-N 2.96Å; F470-V473 PolarHBondContact O-N 3.48Å; V473-N475 PolarHBondContact O-N 2.88Å; V473-Q476 WeakPolarHBondContact O-CB 3.23Å; V473-Q476 PolarHBondContact O-N 3.16Å; V473-Q476 VanDerWaalsContact O-N 3.13Å
474	I	89.7	Confident	90.7	Very high	6 Å²	6	72.4 Å²	72.4	3%	0.031	38%	0.38	C	S	.	.	H	α-helix	trans	-57.1	-47.6	174.7	-71.3	171.4	0	0	0	111.4	V431 F470 K471 Q476 S477 M487 V491	V431-I474 HydrophobicContact CG1-CD1 3.74Å; V431-I474 HydrophobicContact CG1-CG1 4.32Å; V431-I474 HydrophobicContact CG2-CD1 4.49Å; V431-I474 HydrophobicContact CG2-CG1 4.21Å; F470-I474 HydrophobicContact CD1-CD1 3.68Å; F470-I474 HydrophobicContact CD1-CG1 4.24Å; F470-I474 HydrophobicContact CE1-CD1 3.71Å; F470-I474 HydrophobicContact CE1-CG1 4.1Å; F470-I474 WeakPolarHBondContact O-CG1 3.4Å; F470-I474 PolarHBondContact O-N 3.23Å; K471-I474 PolarHBondContact O-N 3.2Å; I474-Q476 PolarHBondContact O-N 3.34Å; I474-S477 PolarHBondContact O-N 3.46Å; I474-S477 PolarHBondContact O-OG 2.93Å; I474-M487 HydrophobicContact CG2-CE 3.26Å; I474-M487 HydrophobicContact CG2-CG 4.22Å; I474-M487 HydrophobicContact CG2-SD 3.63Å; I474-V491 HydrophobicContact CD1-CG2 3.55Å
475	N	88.6	Confident	90.5	Very high	74 Å²	74	68.9 Å²	68.9	40%	0.396	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.1	178.8	-75.2	5.7	0	0	0	114.7	K471 F472 V473	K471-N475 WeakPolarHBondContact O-CB 3.45Å; K471-N475 VanDerWaalsContact O-CG 3.22Å; K471-N475 PolarHBondContact O-N 3.3Å; K471-N475 PolarHBondContact O-OD1 2.93Å; F472-N475 PolarHBondContact O-N 2.98Å; V473-N475 PolarHBondContact O-N 2.88Å
476	Q	88.5	Confident	90.2	Very high	142 Å²	142	64 Å²	64	66%	0.664	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-21.1	174	-70	166.5	-16	0	0	112.5	F472 V473 I474	F472-Q476 WeakPolarHBondContact O-CG 3.36Å; F472-Q476 PolarHBondContact O-N 3.46Å; V473-Q476 WeakPolarHBondContact O-CB 3.23Å; V473-Q476 PolarHBondContact O-N 3.16Å; V473-Q476 VanDerWaalsContact O-N 3.13Å; I474-Q476 PolarHBondContact O-N 3.34Å
477	S	85.1	Confident	89.9	Confident	45 Å²	45	61.1 Å²	61.1	32%	0.315	32%	0.319	S	S	.	.	S	Bend	trans	-88.9	-3.5	178	66.4	0	0	0	0	114.8	I474	I474-S477 PolarHBondContact O-N 3.46Å; I474-S477 PolarHBondContact O-OG 2.93Å
478	L	87.2	Confident	89.8	Confident	13 Å²	13	61.7 Å²	61.7	7%	0.068	32%	0.323	C	S	.	.	S	Bend	trans	-122.9	145.5	-179.8	-72.2	178.2	0	0	0	111.3	L341 F344 T485 M487	L341-L478 HydrophobicContact CD1-CD2 4.23Å; F344-L478 HydrophobicContact CD1-CD1 4.45Å; F344-L478 HydrophobicContact CD1-CD2 3.91Å; F344-L478 HydrophobicContact CD2-CD2 3.75Å; F344-L478 HydrophobicContact CE1-CD2 3.89Å; F344-L478 HydrophobicContact CE1-CG 4.35Å; F344-L478 HydrophobicContact CE2-CD2 3.69Å; F344-L478 HydrophobicContact CG-CD2 3.84Å; F344-L478 HydrophobicContact CZ-CD2 3.75Å; F344-L478 HydrophobicContact CZ-CG 4.46Å; L478-T485 HydrophobicContact CD1-CG2 3.89Å; L478-M487 HydrophobicContact CD1-CE 3.5Å; L478-M487 VanDerWaalsContact CD1-CE 3.5Å; L478-M487 HydrophobicContact CG-CE 4.11Å
479	P	88.3	Confident	89.7	Confident	23 Å²	23	62.8 Å²	62.8	15%	0.149	32%	0.324	C	S	.	.			trans	-66	165.5	166.5	30.4	-33.9	0	0	0	110.3	T257 L341 I481	T257-P479 VanDerWaalsContact O-CD 3.26Å; T257-P479 WeakPolarHBondContact O-CD 3.38Å; T257-P479 VanDerWaalsContact O-CG 3.23Å; T257-P479 WeakPolarHBondContact O-CG 3.42Å; L341-P479 VanDerWaalsContact CD1-CD 3.49Å; L341-P479 HydrophobicContact CD1-CG 3.38Å; P479-I481 HydrophobicContact CG-CG2 4.2Å; P479-I481 PolarHBondContact O-N 3.35Å
480	K	86.9	Confident	89.5	Confident	222 Å²	222	60.8 Å²	60.8	97%	0.965	31%	0.306	S	S	*	.			trans	-77.7	64.8	-175.1	-66	177.5	-177.5	170.6	0	112.6
481	I	87.9	Confident	89.5	Confident	46 Å²	46	59 Å²	59	24%	0.236	30%	0.298	C	S	.	.			trans	-67.2	147.3	176.5	53	178.8	0	0	0	112.5	L341 P479 Y483 T485	L341-I481 HydrophobicContact CD1-CG2 4.39Å; P479-I481 HydrophobicContact CG-CG2 4.2Å; P479-I481 PolarHBondContact O-N 3.35Å; I481-Y483 HydrophobicContact CB-CD1 4.41Å; I481-Y483 HydrophobicContact CB-CD2 4.43Å; I481-Y483 HydrophobicContact CB-CE1 4.16Å; I481-Y483 HydrophobicContact CB-CE2 4.18Å; I481-Y483 HydrophobicContact CD1-CD2 4Å; I481-Y483 HydrophobicContact CD1-CE2 3.67Å; I481-Y483 HydrophobicContact CG1-CE2 4.45Å; I481-Y483 HydrophobicContact CG2-CE1 4.09Å; I481-Y483 HydrophobicContact CG2-CE2 4.25Å; I481-T485 HydrophobicContact CD1-CG2 3.44Å; I481-T485 VanDerWaalsContact CD1-CG2 3.44Å
482	S	89.2	Confident	89.5	Confident	131 Å²	131	59.4 Å²	59.4	92%	0.916	30%	0.303	S	S	*	.	S	Bend	trans	-91.5	-0.8	177.7	-171.8	0	0	0	0	113.7
483	Y	90.8	Very high	89.5	Confident	82 Å²	82	55.1 Å²	55.1	32%	0.322	29%	0.285	S	S	.	.	S	Bend	trans	-116	166.9	179.2	57	-104.7	0	0	0	110.9	L339 L341 N342 I481	L339-Y483 PolarHBondContact O-OH 2.8Å; L341-Y483 HydrophobicContact CB-CE2 4.29Å; L341-Y483 PolarHBondContact N-OH 3.13Å; N342-Y483 HydrophobicContact CB-CE2 4.44Å; N342-Y483 VanDerWaalsContact OD1-CD2 3.23Å; N342-Y483 WeakPolarHBondContact OD1-CD2 3.48Å; I481-Y483 HydrophobicContact CB-CD1 4.41Å; I481-Y483 HydrophobicContact CB-CD2 4.43Å; I481-Y483 HydrophobicContact CB-CE1 4.16Å; I481-Y483 HydrophobicContact CB-CE2 4.18Å; I481-Y483 HydrophobicContact CD1-CD2 4Å; I481-Y483 HydrophobicContact CD1-CE2 3.67Å; I481-Y483 HydrophobicContact CG1-CE2 4.45Å; I481-Y483 HydrophobicContact CG2-CE1 4.09Å; I481-Y483 HydrophobicContact CG2-CE2 4.25Å
484	L	88.3	Confident	89.4	Confident	73 Å²	73	51.1 Å²	51.1	38%	0.382	26%	0.26	S	S	.	.			trans	-104	119.6	-170.5	-166.6	74.9	0	0	0	110.8	D488 K489 L492	L484-D488 HydrophobicContact CD1-CB 3.38Å; L484-D488 HydrophobicContact CG-CB 3.84Å; L484-K489 HydrophobicContact CD2-CB 4.48Å; L484-K489 HydrophobicContact CD2-CD 4.41Å; L484-K489 HydrophobicContact CD2-CG 3.41Å; L484-K489 VanDerWaalsContact CD2-CG 3.41Å; L484-K489 HydrophobicContact CG-CG 3.82Å; L484-K489 WeakPolarHBondContact O-CE 3.29Å; L484-K489 PolarHBondContact O-NZ 2.78Å; L484-L492 HydrophobicContact CD1-CD1 3.68Å; L484-L492 HydrophobicContact CD2-CD1 3.92Å; L484-L492 HydrophobicContact CG-CD1 4.45Å
485	T	91.2	Very high	89.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.			trans	-73.1	169.7	179.9	70.7	0	0	0	0	112.4	L341 N342 F344 L478 I481 M487 D488 K489	L341-T485 VanDerWaalsContact O-CG2 3.29Å; L341-T485 WeakPolarHBondContact O-CG2 3.29Å; N342-T485 WeakPolarHBondContact O-CA 3.47Å; F344-T485 HydrophobicContact CB-CG2 4.2Å; L478-T485 HydrophobicContact CD1-CG2 3.89Å; I481-T485 HydrophobicContact CD1-CG2 3.44Å; I481-T485 VanDerWaalsContact CD1-CG2 3.44Å; T485-M487 VanDerWaalsContact C-N 3.29Å; T485-M487 PolarHBondContact O-N 3.16Å; T485-M487 PolarHBondContact OG1-N 3.48Å; T485-D488 WeakPolarHBondContact CB-OD2 3.48Å; T485-D488 WeakPolarHBondContact CG2-OD2 3.48Å; T485-D488 PolarHBondContact N-OD2 3.31Å; T485-D488 PolarHBondContact O-N 2.85Å; T485-D488 VanDerWaalsContact OG1-CG 3.23Å; T485-D488 PolarHBondContact OG1-N 2.96Å; T485-D488 PolarHBondContact OG1-OD2 2.83Å; T485-K489 WeakPolarHBondContact O-CD 3.35Å; T485-K489 VanDerWaalsContact O-CG 3.23Å; T485-K489 WeakPolarHBondContact O-CG 3.35Å; T485-K489 PolarHBondContact O-N 3.2Å
486	Y	88.3	Confident	89.7	Confident	20 Å²	20	50.6 Å²	50.6	8%	0.078	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-35.6	169.9	-69.3	-42.7	0	0	0	112.7	N342 D343 K489 Y490 W654 D658 A659	N342-Y486 PolarHBondContact O-N 3.35Å; D343-Y486 HydrophobicContact CB-CD2 3.94Å; D343-Y486 HydrophobicContact CB-CE2 3.66Å; D343-Y486 WeakPolarHBondContact O-CD2 3.42Å; Y486-K489 HydrophobicContact CD1-CD 4.26Å; Y486-K489 PolarHBondContact O-N 2.72Å; Y486-Y490 PolarHBondContact O-N 3.42Å; Y486-W654 HydrophobicContact CD1-CE3 4.44Å; Y486-W654 AromaticContact CD1-CH2 3.29Å; Y486-W654 HydrophobicContact CD1-CH2 3.29Å; Y486-W654 AromaticContact CD1-CZ2 3.9Å; Y486-W654 HydrophobicContact CD1-CZ2 3.9Å; Y486-W654 AromaticContact CD1-CZ3 3.59Å; Y486-W654 HydrophobicContact CD1-CZ3 3.59Å; Y486-W654 AromaticContact CE1-CH2 3.33Å; Y486-W654 HydrophobicContact CE1-CH2 3.33Å; Y486-W654 AromaticContact CE1-CZ2 3.41Å; Y486-W654 HydrophobicContact CE1-CZ2 3.41Å; Y486-W654 VanDerWaalsContact CE1-CZ2 3.41Å; Y486-W654 AromaticContact CE1-CZ3 3.99Å; Y486-W654 HydrophobicContact CE1-CZ3 3.99Å; Y486-D658 VanDerWaalsContact OH-CG 3.27Å; Y486-D658 PolarHBondContact OH-OD2 3.07Å; Y486-A659 HydrophobicContact CD2-CB 3.36Å; Y486-A659 HydrophobicContact CE2-CB 3.2Å; Y486-A659 HydrophobicContact CG-CB 4.33Å
487	M	88.9	Confident	89.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-47.6	172.3	-177.1	175.3	57.9	0	0	112	F344 F427 V431 I474 L478 T485 K489 Y490 V491	F344-M487 HydrophobicContact CD1-CB 4.47Å; F344-M487 HydrophobicContact CD1-CE 3.55Å; F344-M487 HydrophobicContact CD1-SD 4.2Å; F344-M487 HydrophobicContact CE1-CE 3.37Å; F344-M487 HydrophobicContact CE1-SD 3.87Å; F344-M487 PolarHBondContact O-N 3.28Å; F427-M487 HydrophobicContact CD1-SD 4.15Å; V431-M487 HydrophobicContact CG1-CG 4Å; V431-M487 HydrophobicContact CG1-SD 4.05Å; I474-M487 HydrophobicContact CG2-CE 3.26Å; I474-M487 HydrophobicContact CG2-CG 4.22Å; I474-M487 HydrophobicContact CG2-SD 3.63Å; L478-M487 HydrophobicContact CD1-CE 3.5Å; L478-M487 VanDerWaalsContact CD1-CE 3.5Å; L478-M487 HydrophobicContact CG-CE 4.11Å; T485-M487 VanDerWaalsContact C-N 3.29Å; T485-M487 PolarHBondContact O-N 3.16Å; T485-M487 PolarHBondContact OG1-N 3.48Å; M487-K489 VanDerWaalsContact C-N 3.32Å; M487-K489 PolarHBondContact O-N 2.93Å; M487-Y490 WeakPolarHBondContact O-CB 3.28Å; M487-Y490 PolarHBondContact O-N 3.49Å; M487-Y490 VanDerWaalsContact O-N 3.14Å; M487-V491 WeakPolarHBondContact O-CG2 3.33Å; M487-V491 PolarHBondContact O-N 2.84Å
488	D	91.2	Very high	90.2	Very high	13 Å²	13	43.5 Å²	43.5	7%	0.07	23%	0.228	C	C	.	.	H	α-helix	trans	-66	-35.4	179.7	-61.4	-59.4	0	0	0	112.4	L484 T485 Y490 V491 L492	L484-D488 HydrophobicContact CD1-CB 3.38Å; L484-D488 HydrophobicContact CG-CB 3.84Å; T485-D488 WeakPolarHBondContact CB-OD2 3.48Å; T485-D488 WeakPolarHBondContact CG2-OD2 3.48Å; T485-D488 PolarHBondContact N-OD2 3.31Å; T485-D488 PolarHBondContact O-N 2.85Å; T485-D488 VanDerWaalsContact OG1-CG 3.23Å; T485-D488 PolarHBondContact OG1-N 2.96Å; T485-D488 PolarHBondContact OG1-OD2 2.83Å; D488-Y490 VanDerWaalsContact C-N 3.26Å; D488-Y490 PolarHBondContact O-N 3.41Å; D488-V491 PolarHBondContact O-N 3.46Å; D488-L492 WeakPolarHBondContact O-CB 3.04Å; D488-L492 WeakPolarHBondContact O-CG 3.5Å; D488-L492 PolarHBondContact O-N 2.89Å
489	K	90.8	Very high	90.4	Very high	62 Å²	62	45.8 Å²	45.8	27%	0.27	24%	0.244	S	C	.	.	H	α-helix	trans	-59.6	-39.1	173.8	-71.6	164.5	-158.9	143.2	0	111.2	L484 T485 Y486 M487 M493 W654	L484-K489 HydrophobicContact CD2-CB 4.48Å; L484-K489 HydrophobicContact CD2-CD 4.41Å; L484-K489 HydrophobicContact CD2-CG 3.41Å; L484-K489 VanDerWaalsContact CD2-CG 3.41Å; L484-K489 HydrophobicContact CG-CG 3.82Å; L484-K489 WeakPolarHBondContact O-CE 3.29Å; L484-K489 PolarHBondContact O-NZ 2.78Å; T485-K489 WeakPolarHBondContact O-CD 3.35Å; T485-K489 VanDerWaalsContact O-CG 3.23Å; T485-K489 WeakPolarHBondContact O-CG 3.35Å; T485-K489 PolarHBondContact O-N 3.2Å; Y486-K489 HydrophobicContact CD1-CD 4.26Å; Y486-K489 PolarHBondContact O-N 2.72Å; M487-K489 VanDerWaalsContact C-N 3.32Å; M487-K489 PolarHBondContact O-N 2.93Å; K489-M493 WeakPolarHBondContact O-CB 3.48Å; K489-M493 PolarHBondContact O-N 3.49Å; K489-W654 HydrophobicContact CB-CZ3 4.43Å; K489-W654 HydrophobicContact CD-CH2 3.57Å; K489-W654 HydrophobicContact CD-CZ3 4.05Å
490	Y	91.2	Very high	90.5	Very high	9 Å²	9	48.6 Å²	48.6	4%	0.035	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-44.8	173.6	-173.6	-109.5	0	0	0	112.8	F432 M435 Y486 M487 D488 L492 M493 S494 H648 F651	F432-Y490 HydrophobicContact CB-CE1 4.41Å; F432-Y490 AromaticContact CD1-CD1 3.45Å; F432-Y490 HydrophobicContact CD1-CD1 3.45Å; F432-Y490 VanDerWaalsContact CD1-CD1 3.45Å; F432-Y490 HydrophobicContact CD1-CD2 4.25Å; F432-Y490 AromaticContact CD1-CE1 3.62Å; F432-Y490 HydrophobicContact CD1-CE1 3.62Å; F432-Y490 HydrophobicContact CD1-CE2 4.38Å; F432-Y490 AromaticContact CD1-CG 3.77Å; F432-Y490 HydrophobicContact CD1-CG 3.77Å; F432-Y490 AromaticContact CE1-CD1 3.8Å; F432-Y490 HydrophobicContact CE1-CD1 3.8Å; F432-Y490 HydrophobicContact CE1-CD2 4.38Å; F432-Y490 HydrophobicContact CE1-CE1 4.41Å; F432-Y490 AromaticContact CE1-CG 3.76Å; F432-Y490 HydrophobicContact CE1-CG 3.76Å; F432-Y490 HydrophobicContact CG-CE1 4.47Å; F432-Y490 PolarHBondContact O-OH 3.47Å; M435-Y490 HydrophobicContact CB-CD1 4.4Å; M435-Y490 HydrophobicContact CB-CE1 3.78Å; Y486-Y490 PolarHBondContact O-N 3.42Å; M487-Y490 WeakPolarHBondContact O-CB 3.28Å; M487-Y490 PolarHBondContact O-N 3.49Å; M487-Y490 VanDerWaalsContact O-N 3.14Å; D488-Y490 VanDerWaalsContact C-N 3.26Å; D488-Y490 PolarHBondContact O-N 3.41Å; Y490-L492 PolarHBondContact O-N 2.84Å; Y490-M493 HydrophobicContact CD2-SD 4.34Å; Y490-M493 HydrophobicContact CE2-SD 4.49Å; Y490-M493 PolarHBondContact O-N 3.24Å; Y490-S494 PolarHBondContact O-N 2.87Å; Y490-S494 PolarHBondContact O-OG 3.09Å; Y490-H648 AromaticContact CE2-CE1 3.57Å; Y490-H648 AromaticContact CE2-ND1 3.52Å; Y490-H648 AromaticContact CZ-CE1 3.65Å; Y490-H648 AromaticContact CZ-ND1 3.86Å; Y490-H648 PolarHBondContact OH-CE1 3.23Å; Y490-H648 PolarHBondContact OH-ND1 3.1Å; Y490-F651 HydrophobicContact CD2-CB 4.49Å; Y490-F651 AromaticContact CD2-CD1 3.33Å; Y490-F651 HydrophobicContact CD2-CD1 3.33Å; Y490-F651 AromaticContact CD2-CD2 3.9Å; Y490-F651 HydrophobicContact CD2-CD2 3.9Å; Y490-F651 AromaticContact CD2-CE1 3.39Å; Y490-F651 HydrophobicContact CD2-CE1 3.39Å; Y490-F651 AromaticContact CD2-CE2 3.96Å; Y490-F651 HydrophobicContact CD2-CE2 3.96Å; Y490-F651 AromaticContact CD2-CG 3.61Å; Y490-F651 HydrophobicContact CD2-CG 3.61Å; Y490-F651 AromaticContact CD2-CZ 3.73Å; Y490-F651 HydrophobicContact CD2-CZ 3.73Å; Y490-F651 AromaticContact CE2-CD1 3.61Å; Y490-F651 HydrophobicContact CE2-CD1 3.61Å; Y490-F651 AromaticContact CE2-CE1 3.93Å; Y490-F651 HydrophobicContact CE2-CE1 3.93Å; Y490-F651 HydrophobicContact CE2-CG 4.09Å; Y490-F651 HydrophobicContact CG-CD1 4.3Å; Y490-F651 AromaticContact CG-CE1 3.92Å; Y490-F651 HydrophobicContact CG-CE1 3.92Å; Y490-F651 HydrophobicContact CG-CE2 4.32Å; Y490-F651 AromaticContact CG-CZ 3.95Å; Y490-F651 HydrophobicContact CG-CZ 3.95Å
491	V	91.8	Very high	90.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-38	178.9	177.6	0	0	0	0	111.5	M435 K471 I474 M487 D488 S494 L495	M435-V491 HydrophobicContact CE-CG1 4.3Å; K471-V491 HydrophobicContact CB-CG1 3.86Å; K471-V491 HydrophobicContact CD-CG1 4.15Å; K471-V491 HydrophobicContact CG-CG1 3.92Å; I474-V491 HydrophobicContact CD1-CG2 3.55Å; M487-V491 WeakPolarHBondContact O-CG2 3.33Å; M487-V491 PolarHBondContact O-N 2.84Å; D488-V491 PolarHBondContact O-N 3.46Å; V491-S494 VanDerWaalsContact CA-OG 3.29Å; V491-S494 WeakPolarHBondContact CA-OG 3.43Å; V491-S494 PolarHBondContact O-OG 3.36Å; V491-L495 HydrophobicContact CG1-CD1 4.11Å; V491-L495 WeakPolarHBondContact O-CB 3.38Å; V491-L495 WeakPolarHBondContact O-CD1 3.49Å; V491-L495 VanDerWaalsContact O-CG 3.26Å; V491-L495 WeakPolarHBondContact O-CG 3.39Å; V491-L495 PolarHBondContact O-N 3.16Å
492	L	91.9	Very high	90.7	Very high	68 Å²	68	36.6 Å²	36.6	36%	0.356	21%	0.208	S	C	.	.	H	α-helix	trans	-71.1	-37.8	173.5	-70.1	-174.9	0	0	0	112.6	L484 D488 Y490 L495 A496	L484-L492 HydrophobicContact CD1-CD1 3.68Å; L484-L492 HydrophobicContact CD2-CD1 3.92Å; L484-L492 HydrophobicContact CG-CD1 4.45Å; D488-L492 WeakPolarHBondContact O-CB 3.04Å; D488-L492 WeakPolarHBondContact O-CG 3.5Å; D488-L492 PolarHBondContact O-N 2.89Å; Y490-L492 PolarHBondContact O-N 2.84Å; L492-L495 HydrophobicContact CD2-CD1 4.38Å; L492-L495 PolarHBondContact O-N 3.37Å; L492-A496 WeakPolarHBondContact O-CB 3.31Å; L492-A496 PolarHBondContact O-N 2.89Å
493	M	90.9	Very high	90.7	Very high	44 Å²	44	34.1 Å²	34.1	22%	0.217	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-42.5	174.7	163.3	-85.8	-172.6	0	0	111.8	K489 Y490 A496 I497 A647	K489-M493 WeakPolarHBondContact O-CB 3.48Å; K489-M493 PolarHBondContact O-N 3.49Å; Y490-M493 HydrophobicContact CD2-SD 4.34Å; Y490-M493 HydrophobicContact CE2-SD 4.49Å; Y490-M493 PolarHBondContact O-N 3.24Å; M493-A496 WeakPolarHBondContact O-CB 3.41Å; M493-A496 PolarHBondContact O-N 3.11Å; M493-I497 HydrophobicContact CE-CD1 3.67Å; M493-I497 PolarHBondContact O-N 3.11Å; M493-I497 HydrophobicContact SD-CD1 4.22Å; M493-A647 HydrophobicContact CE-CB 3.45Å; M493-A647 VanDerWaalsContact CE-CB 3.45Å
494	S	91.1	Very high	90.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.1	-41.5	176.3	40	0	0	0	0	112.2	M435 Y490 V491 A496 I497 L498	M435-S494 WeakPolarHBondContact CE-OG 3.22Å; Y490-S494 PolarHBondContact O-N 2.87Å; Y490-S494 PolarHBondContact O-OG 3.09Å; V491-S494 VanDerWaalsContact CA-OG 3.29Å; V491-S494 WeakPolarHBondContact CA-OG 3.43Å; V491-S494 PolarHBondContact O-OG 3.36Å; S494-A496 VanDerWaalsContact C-N 3.29Å; S494-A496 PolarHBondContact O-N 3.34Å; S494-I497 PolarHBondContact O-N 3.11Å; S494-L498 WeakPolarHBondContact O-CG 3.37Å; S494-L498 PolarHBondContact O-N 3.35Å
495	L	92.7	Very high	90.5	Very high	18 Å²	18	29.5 Å²	29.5	9%	0.094	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-35.5	169.7	-77.1	166.9	0	0	0	112.6	F464 S467 V468 K471 V491 L492 L498 C499	F464-L495 HydrophobicContact CD2-CD2 4.02Å; F464-L495 HydrophobicContact CE2-CD2 3.89Å; F464-L495 HydrophobicContact CZ-CD2 4.36Å; S467-L495 VanDerWaalsContact CB-CD2 3.49Å; V468-L495 HydrophobicContact CG2-CD2 3.84Å; K471-L495 HydrophobicContact CD-CD1 4.4Å; V491-L495 HydrophobicContact CG1-CD1 4.11Å; V491-L495 WeakPolarHBondContact O-CB 3.38Å; V491-L495 WeakPolarHBondContact O-CD1 3.49Å; V491-L495 VanDerWaalsContact O-CG 3.26Å; V491-L495 WeakPolarHBondContact O-CG 3.39Å; V491-L495 PolarHBondContact O-N 3.16Å; L492-L495 HydrophobicContact CD2-CD1 4.38Å; L492-L495 PolarHBondContact O-N 3.37Å; L495-L498 PolarHBondContact O-N 3.26Å; L495-C499 WeakPolarHBondContact O-CB 3.32Å; L495-C499 PolarHBondContact O-N 2.87Å
496	A	92.4	Very high	90.3	Very high	52 Å²	52	31.2 Å²	31.2	43%	0.43	18%	0.179	S	C	.	.	H	α-helix	trans	-67.6	-41.1	175.3	0	0	0	0	0	111.9	L492 M493 S494 C499 V500	L492-A496 WeakPolarHBondContact O-CB 3.31Å; L492-A496 PolarHBondContact O-N 2.89Å; M493-A496 WeakPolarHBondContact O-CB 3.41Å; M493-A496 PolarHBondContact O-N 3.11Å; S494-A496 VanDerWaalsContact C-N 3.29Å; S494-A496 PolarHBondContact O-N 3.34Å; A496-C499 WeakPolarHBondContact O-CB 3.41Å; A496-C499 PolarHBondContact O-N 3.45Å; A496-V500 WeakPolarHBondContact O-CG2 3.34Å; A496-V500 PolarHBondContact O-N 2.89Å
497	I	90.4	Very high	90.2	Very high	35 Å²	35	33.2 Å²	33.2	18%	0.179	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-48	172.5	-71.8	174.9	0	0	0	110.7	M493 S494 C499 V500 V501 Y644 A647	M493-I497 HydrophobicContact CE-CD1 3.67Å; M493-I497 PolarHBondContact O-N 3.11Å; M493-I497 HydrophobicContact SD-CD1 4.22Å; S494-I497 PolarHBondContact O-N 3.11Å; I497-C499 VanDerWaalsContact C-N 3.27Å; I497-C499 PolarHBondContact O-N 3.14Å; I497-V500 PolarHBondContact O-N 2.93Å; I497-V501 WeakPolarHBondContact O-CG2 3.39Å; I497-V501 PolarHBondContact O-N 3.1Å; I497-Y644 HydrophobicContact CD1-CD2 4.22Å; I497-Y644 HydrophobicContact CG2-CD2 4.46Å; I497-A647 HydrophobicContact CD1-CB 4.24Å
498	L	92.1	Very high	89.8	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-36.1	176.3	-69.6	173	0	0	0	112.3	T439 L463 F464 S467 S494 L495 S502	T439-L498 HydrophobicContact CG2-CD1 4.42Å; T439-L498 HydrophobicContact CG2-CG 4.27Å; L463-L498 HydrophobicContact CB-CD2 4.09Å; F464-L498 HydrophobicContact CD2-CB 4.22Å; S467-L498 VanDerWaalsContact OG-CD1 3.28Å; S467-L498 WeakPolarHBondContact OG-CD1 3.27Å; S494-L498 WeakPolarHBondContact O-CG 3.37Å; S494-L498 PolarHBondContact O-N 3.35Å; L495-L498 PolarHBondContact O-N 3.26Å; L498-S502 WeakPolarHBondContact O-CB 3.45Å; L498-S502 PolarHBondContact O-N 2.99Å; L498-S502 PolarHBondContact O-OG 2.86Å
499	C	92	Very high	89.1	Confident	60 Å²	60	36.7 Å²	36.7	41%	0.405	22%	0.215	S	C	.	.	H	α-helix	trans	-63.8	-47.6	173.5	-171.9	0	0	0	0	111.7	L495 A496 I497 V501 S502 V503	L495-C499 WeakPolarHBondContact O-CB 3.32Å; L495-C499 PolarHBondContact O-N 2.87Å; A496-C499 WeakPolarHBondContact O-CB 3.41Å; A496-C499 PolarHBondContact O-N 3.45Å; I497-C499 VanDerWaalsContact C-N 3.27Å; I497-C499 PolarHBondContact O-N 3.14Å; C499-V501 PolarHBondContact O-N 2.89Å; C499-S502 WeakPolarHBondContact O-CB 3.36Å; C499-S502 PolarHBondContact O-N 3.41Å; C499-V503 WeakPolarHBondContact O-CG2 3.4Å; C499-V503 PolarHBondContact O-N 3.46Å
500	V	90.7	Very high	88.4	Confident	83 Å²	83	40 Å²	40	50%	0.503	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-39.7	178.2	178.5	0	0	0	0	111.7	A496 I497 V503 W504 F640	A496-V500 WeakPolarHBondContact O-CG2 3.34Å; A496-V500 PolarHBondContact O-N 2.89Å; I497-V500 PolarHBondContact O-N 2.93Å; V500-V503 PolarHBondContact O-N 2.98Å; V500-W504 PolarHBondContact O-N 3.05Å; V500-F640 HydrophobicContact CG1-CE1 3.74Å; V500-F640 HydrophobicContact CG1-CZ 4.11Å
501	V	88.9	Confident	87.4	Confident	3 Å²	3	44 Å²	44	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-40.2	173.9	173.4	0	0	0	0	111.3	F446 I497 C499 W504 H505 F640	F446-V501 HydrophobicContact CE2-CG1 3.95Å; F446-V501 HydrophobicContact CZ-CG1 4.18Å; I497-V501 WeakPolarHBondContact O-CG2 3.39Å; I497-V501 PolarHBondContact O-N 3.1Å; C499-V501 PolarHBondContact O-N 2.89Å; V501-W504 PolarHBondContact O-N 3.12Å; V501-H505 PolarHBondContact O-CD2 2.82Å; V501-H505 PolarHBondContact O-N 3.32Å; V501-F640 HydrophobicContact CG2-CD1 4.46Å
502	S	89.8	Confident	85.7	Confident	12 Å²	12	48.9 Å²	48.9	8%	0.084	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-42	175.6	-56.4	0	0	0	0	112	S460 L498 C499 H505 A506	S460-S502 WeakPolarHBondContact CB-OG 3.34Å; L498-S502 WeakPolarHBondContact O-CB 3.45Å; L498-S502 PolarHBondContact O-N 2.99Å; L498-S502 PolarHBondContact O-OG 2.86Å; C499-S502 WeakPolarHBondContact O-CB 3.36Å; C499-S502 PolarHBondContact O-N 3.41Å; S502-H505 PolarHBondContact O-N 3.33Å; S502-A506 PolarHBondContact O-N 2.87Å
503	V	90.3	Very high	83.9	Confident	80 Å²	80	49.5 Å²	49.5	49%	0.485	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-39.2	174.5	170.1	0	0	0	0	111	C499 V500 A506 V507	C499-V503 WeakPolarHBondContact O-CG2 3.4Å; C499-V503 PolarHBondContact O-N 3.46Å; V500-V503 PolarHBondContact O-N 2.98Å; V503-A506 PolarHBondContact O-N 3.01Å; V503-V507 HydrophobicContact CG1-CG2 4.34Å; V503-V507 WeakPolarHBondContact O-CG2 3.2Å; V503-V507 PolarHBondContact O-N 2.97Å
504	W	88	Confident	82	Confident	52 Å²	52	50.9 Å²	50.9	20%	0.197	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-50	173.6	174.6	-99	0	0	0	111.7	F446 V500 V501 A506 V507 V508 I632 V636 F640	F446-W504 AromaticContact CE1-CD1 3.72Å; F446-W504 AromaticContact CE1-NE1 3.85Å; V500-W504 PolarHBondContact O-N 3.05Å; V501-W504 PolarHBondContact O-N 3.12Å; W504-A506 VanDerWaalsContact C-N 3.28Å; W504-A506 PolarHBondContact O-N 3.43Å; W504-V507 PolarHBondContact O-N 2.91Å; W504-V507 VanDerWaalsContact O-N 3.11Å; W504-V508 HydrophobicContact CD2-CG2 4.26Å; W504-V508 HydrophobicContact CZ2-CG2 3.75Å; W504-V508 WeakPolarHBondContact O-CG2 3.48Å; W504-V508 PolarHBondContact O-N 2.93Å; W504-I632 HydrophobicContact CH2-CG2 4.38Å; W504-V636 HydrophobicContact CD2-CG1 3.93Å; W504-V636 HydrophobicContact CE3-CG1 4.22Å; W504-V636 HydrophobicContact CH2-CB 4.34Å; W504-V636 HydrophobicContact CH2-CG1 4.06Å; W504-V636 HydrophobicContact CH2-CG2 3.77Å; W504-V636 HydrophobicContact CZ2-CB 4.07Å; W504-V636 HydrophobicContact CZ2-CG1 3.74Å; W504-V636 HydrophobicContact CZ2-CG2 3.98Å; W504-V636 HydrophobicContact CZ3-CG1 4.27Å; W504-V636 HydrophobicContact CZ3-CG2 4.35Å; W504-F640 HydrophobicContact CB-CE2 4.01Å; W504-F640 HydrophobicContact CB-CZ 3.98Å; W504-F640 HydrophobicContact CD2-CE2 4.17Å; W504-F640 AromaticContact CG-CE2 3.79Å; W504-F640 HydrophobicContact CG-CE2 3.79Å; W504-F640 HydrophobicContact CG-CZ 4.22Å
505	H	86.8	Confident	80.2	Confident	5 Å²	5	52.9 Å²	52.9	2%	0.023	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-36.3	177.5	-72.3	-58.3	0	0	0	112.5	T445 S460 V501 S502 V508 T509	T445-H505 PolarHBondContact OG1-NE2 2.88Å; S460-H505 PolarHBondContact OG-CD2 2.79Å; S460-H505 VanDerWaalsContact OG-CD2 3.24Å; V501-H505 PolarHBondContact O-CD2 2.82Å; V501-H505 PolarHBondContact O-N 3.32Å; S502-H505 PolarHBondContact O-N 3.33Å; H505-V508 PolarHBondContact O-N 3.38Å; H505-T509 VanDerWaalsContact O-CG2 3.29Å; H505-T509 WeakPolarHBondContact O-CG2 3.43Å; H505-T509 PolarHBondContact O-N 3.46Å
506	A	86.8	Confident	78.2	Confident	36 Å²	36	58.5 Å²	58.5	30%	0.298	35%	0.348	S	S	.	.	H	α-helix	trans	-65.6	-42.1	172.1	0	0	0	0	0	112.6	S502 V503 W504 V508 T509 L510	S502-A506 PolarHBondContact O-N 2.87Å; V503-A506 PolarHBondContact O-N 3.01Å; W504-A506 VanDerWaalsContact C-N 3.28Å; W504-A506 PolarHBondContact O-N 3.43Å; A506-V508 VanDerWaalsContact C-N 3.32Å; A506-V508 PolarHBondContact O-N 2.77Å; A506-T509 PolarHBondContact O-N 2.96Å; A506-T509 VanDerWaalsContact O-N 3.11Å; A506-T509 PolarHBondContact O-OG1 2.67Å; A506-L510 PolarHBondContact O-N 2.62Å
507	V	85.3	Confident	76.1	Confident	63 Å²	63	63.1 Å²	63.1	38%	0.382	36%	0.359	S	S	.	.	H	α-helix	trans	-65	-35.5	176.4	168.4	0	0	0	0	111.7	V503 W504 T509 L510 I511	V503-V507 HydrophobicContact CG1-CG2 4.34Å; V503-V507 WeakPolarHBondContact O-CG2 3.2Å; V503-V507 PolarHBondContact O-N 2.97Å; W504-V507 PolarHBondContact O-N 2.91Å; W504-V507 VanDerWaalsContact O-N 3.11Å; V507-T509 PolarHBondContact O-N 2.98Å; V507-L510 PolarHBondContact O-N 2.78Å; V507-I511 PolarHBondContact O-N 2.74Å
508	V	80.7	Confident	74.3	Confident	14 Å²	14	64.6 Å²	64.6	9%	0.085	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-25.3	173.7	171.7	0	0	0	0	112.4	W504 H505 A506 M629	W504-V508 HydrophobicContact CD2-CG2 4.26Å; W504-V508 HydrophobicContact CZ2-CG2 3.75Å; W504-V508 WeakPolarHBondContact O-CG2 3.48Å; W504-V508 PolarHBondContact O-N 2.93Å; H505-V508 PolarHBondContact O-N 3.38Å; A506-V508 VanDerWaalsContact C-N 3.32Å; A506-V508 PolarHBondContact O-N 2.77Å; V508-M629 HydrophobicContact CG1-CE 3.72Å
509	T	77.6	Confident	72.5	Confident	72 Å²	72	69 Å²	69	44%	0.442	39%	0.385	S	S	.	.	H	α-helix	trans	-78.2	-26.1	172.9	84.6	0	0	0	0	113.3	P453 H505 A506 V507	P453-T509 HydrophobicContact CB-CG2 3.49Å; P453-T509 VanDerWaalsContact CB-CG2 3.49Å; P453-T509 HydrophobicContact CG-CG2 4.37Å; H505-T509 VanDerWaalsContact O-CG2 3.29Å; H505-T509 WeakPolarHBondContact O-CG2 3.43Å; H505-T509 PolarHBondContact O-N 3.46Å; A506-T509 PolarHBondContact O-N 2.96Å; A506-T509 VanDerWaalsContact O-N 3.11Å; A506-T509 PolarHBondContact O-OG1 2.67Å; V507-T509 PolarHBondContact O-N 2.98Å
510	L	75.6	Confident	70.7	Confident	132 Å²	132	70.6 Å²	70.6	69%	0.691	39%	0.389	S	S	*	.	H	α-helix	trans	-83.8	-21.8	-178.1	-65.7	175.3	0	0	0	113.3	A506 V507 P512	A506-L510 PolarHBondContact O-N 2.62Å; V507-L510 PolarHBondContact O-N 2.78Å; L510-P512 VanDerWaalsContact O-CD 3.27Å; L510-P512 WeakPolarHBondContact O-CD 3.48Å
511	I	68.8	Low	69.1	Low	93 Å²	93	69.1 Å²	69.1	48%	0.477	38%	0.381	S	S	.	.	S	Bend	trans	-65.2	117.7	170.5	-63.6	171.4	0	0	0	107.5	V507 S513	V507-I511 PolarHBondContact O-N 2.74Å; I511-S513 PolarHBondContact O-N 3.39Å
512	P	57	Low	67.5	Low	102 Å²	102	72.2 Å²	72.2	66%	0.662	40%	0.4	S	S	*	.			trans	-59.4	112.2	-174.2	-26.6	36.3	0	0	0	111.8	L510 D514	L510-P512 VanDerWaalsContact O-CD 3.27Å; L510-P512 WeakPolarHBondContact O-CD 3.48Å; P512-D514 PolarHBondContact O-N 2.9Å
513	S	55	Low	65.8	Low	81 Å²	81	77 Å²	77	57%	0.566	42%	0.419	S	S	*	.			trans	-69.5	90.3	159.5	-74.2	0	0	0	0	107.4	I511 A515 E516	I511-S513 PolarHBondContact O-N 3.39Å; S513-A515 PolarHBondContact O-N 2.86Å; S513-E516 PolarHBondContact O-N 2.77Å
514	D	50.9	Low	64.3	Low	72 Å²	72	77.7 Å²	77.7	39%	0.385	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-20.7	-178.7	-66.5	-39.3	0	0	0	113.8	P512 E516 F517 E518 K625	P512-D514 PolarHBondContact O-N 2.9Å; D514-E516 PolarHBondContact O-N 2.87Å; D514-F517 CarbonylContact O-C 3.6Å; D514-F517 PolarHBondContact O-N 2.65Å; D514-E518 PolarHBondContact O-N 3.05Å; D514-K625 VanDerWaalsContact CB-NZ 3.31Å; D514-K625 VanDerWaalsContact OD2-CE 3.24Å; D514-K625 WeakPolarHBondContact OD2-CE 3.31Å; D514-K625 IonicContact OD2-NZ 3.25Å; D514-K625 PolarHBondContact OD2-NZ 3.26Å
515	A	51.8	Low	62.6	Low	42 Å²	42	79.9 Å²	79.9	35%	0.347	44%	0.435	S	S	.	.	H	α-helix	trans	-46.5	-34.8	168.2	0	0	0	0	0	113.9	S513 Q519	S513-A515 PolarHBondContact O-N 2.86Å; A515-Q519 WeakPolarHBondContact O-CB 3.26Å; A515-Q519 WeakPolarHBondContact O-CG 3.47Å; A515-Q519 PolarHBondContact O-N 3.08Å
516	E	51.6	Low	61	Low	137 Å²	137	85.4 Å²	85.4	64%	0.64	46%	0.464	S	S	*	.	H	α-helix	trans	-73.4	-42.2	173.8	-72.1	-125.4	117.1	0	0	112.1	S513 D514 Q519 L520	S513-E516 PolarHBondContact O-N 2.77Å; D514-E516 PolarHBondContact O-N 2.87Å; E516-Q519 PolarHBondContact O-N 2.85Å; E516-L520 WeakPolarHBondContact O-CB 3.48Å; E516-L520 WeakPolarHBondContact O-CG 3.33Å; E516-L520 PolarHBondContact O-N 3.16Å
517	F	47.7	Very low	59.5	Low	148 Å²	148	92 Å²	92	65%	0.649	49%	0.486	S	S	*	.	H	α-helix	trans	-71.4	-39.9	179.5	-166.9	-93.9	0	0	0	112.2	D514 Q519 L520 T521	D514-F517 CarbonylContact O-C 3.6Å; D514-F517 PolarHBondContact O-N 2.65Å; F517-Q519 VanDerWaalsContact C-N 3.35Å; F517-L520 PolarHBondContact O-N 3.24Å; F517-T521 WeakPolarHBondContact O-CB 3.43Å; F517-T521 PolarHBondContact O-N 3.42Å; F517-T521 PolarHBondContact O-OG1 3.14Å
518	E	53.3	Low	57.9	Low	67 Å²	67	94.4 Å²	94.4	31%	0.313	50%	0.501	S	S	.	.	H	α-helix	trans	-67.8	-32.4	169.2	-76.9	-153.1	176.8	0	0	111.3	D514 T522 R621	D514-E518 PolarHBondContact O-N 3.05Å; E518-T522 VanDerWaalsContact O-CB 3.29Å; E518-T522 WeakPolarHBondContact O-CB 3.33Å; E518-T522 VanDerWaalsContact O-CG2 3.25Å; E518-T522 WeakPolarHBondContact O-CG2 3.32Å; E518-T522 PolarHBondContact O-N 2.94Å; E518-T522 PolarHBondContact O-OG1 2.95Å; E518-R621 IonicContact OE1-CZ 3.01Å; E518-R621 IonicContact OE1-NH1 2.9Å; E518-R621 IonicContact OE1-NH2 2.68Å; E518-R621 PolarHBondContact OE1-NH2 3.09Å; E518-R621 IonicContact OE2-NH2 2.86Å
519	Q	53.9	Low	56	Low	94 Å²	94	97.3 Å²	97.3	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-66.4	-43.7	171.2	-89	-170.5	67.7	0	0	112.9	A515 E516 F517 T522 K523	A515-Q519 WeakPolarHBondContact O-CB 3.26Å; A515-Q519 WeakPolarHBondContact O-CG 3.47Å; A515-Q519 PolarHBondContact O-N 3.08Å; E516-Q519 PolarHBondContact O-N 2.85Å; F517-Q519 VanDerWaalsContact C-N 3.35Å; Q519-T522 WeakPolarHBondContact CA-OG1 3.39Å; Q519-T522 PolarHBondContact O-OG1 2.92Å; Q519-K523 VanDerWaalsContact O-CB 3.24Å; Q519-K523 WeakPolarHBondContact O-CB 3.2Å; Q519-K523 VanDerWaalsContact O-CD 3.26Å; Q519-K523 WeakPolarHBondContact O-CD 3.34Å; Q519-K523 WeakPolarHBondContact O-CG 3.47Å; Q519-K523 PolarHBondContact O-N 2.9Å
520	L	54	Low	54.1	Low	94 Å²	94	100.4 Å²	100.4	49%	0.492	53%	0.533	S	S	.	.	H	α-helix	trans	-66.7	-43.2	175.8	-76.6	163.9	0	0	0	110.9	E516 F517 K523 N524	E516-L520 WeakPolarHBondContact O-CB 3.48Å; E516-L520 WeakPolarHBondContact O-CG 3.33Å; E516-L520 PolarHBondContact O-N 3.16Å; F517-L520 PolarHBondContact O-N 3.24Å; L520-K523 PolarHBondContact O-N 2.73Å; L520-N524 VanDerWaalsContact O-CB 3.31Å; L520-N524 WeakPolarHBondContact O-CB 3.34Å; L520-N524 PolarHBondContact O-N 3.14Å; L520-N524 PolarHBondContact O-ND2 3.33Å
521	T	57.6	Low	52.7	Low	53 Å²	53	99.1 Å²	99.1	33%	0.325	53%	0.532	S	S	.	.	H	α-helix	trans	-64.9	-42.8	177.9	-58.9	0	0	0	0	111.6	F517 N524 L525	F517-T521 WeakPolarHBondContact O-CB 3.43Å; F517-T521 PolarHBondContact O-N 3.42Å; F517-T521 PolarHBondContact O-OG1 3.14Å; T521-N524 PolarHBondContact O-N 3.41Å; T521-L525 HydrophobicContact CG2-CD1 3.88Å; T521-L525 HydrophobicContact CG2-CG 4.38Å; T521-L525 WeakPolarHBondContact O-CB 3.27Å; T521-L525 VanDerWaalsContact O-CG 3.26Å; T521-L525 WeakPolarHBondContact O-CG 3.16Å; T521-L525 PolarHBondContact O-N 3.27Å
522	T	56.1	Low	51.5	Low	68 Å²	68	103.4 Å²	103.4	42%	0.417	55%	0.55	S	S	.	*	H	α-helix	trans	-69.5	-39.2	174.6	52.6	0	0	0	0	112.7	E518 Q519 N524 L525 L526	E518-T522 VanDerWaalsContact O-CB 3.29Å; E518-T522 WeakPolarHBondContact O-CB 3.33Å; E518-T522 VanDerWaalsContact O-CG2 3.25Å; E518-T522 WeakPolarHBondContact O-CG2 3.32Å; E518-T522 PolarHBondContact O-N 2.94Å; E518-T522 PolarHBondContact O-OG1 2.95Å; Q519-T522 WeakPolarHBondContact CA-OG1 3.39Å; Q519-T522 PolarHBondContact O-OG1 2.92Å; T522-N524 VanDerWaalsContact C-N 3.29Å; T522-N524 PolarHBondContact O-N 3.22Å; T522-L525 PolarHBondContact O-N 3.06Å; T522-L526 VanDerWaalsContact O-CB 3.26Å; T522-L526 WeakPolarHBondContact O-CB 3.35Å; T522-L526 WeakPolarHBondContact O-CD1 3.47Å; T522-L526 VanDerWaalsContact O-CG 3.23Å; T522-L526 WeakPolarHBondContact O-CG 3.19Å; T522-L526 PolarHBondContact O-N 3.33Å
523	K	53.7	Low	50.8	Low	113 Å²	113	103.7 Å²	103.7	49%	0.491	54%	0.541	S	S	.	.	H	α-helix	trans	-60	-39.3	171.9	-74.1	163	-165.2	166.5	0	111.4	Q519 L520 K527	Q519-K523 VanDerWaalsContact O-CB 3.24Å; Q519-K523 WeakPolarHBondContact O-CB 3.2Å; Q519-K523 VanDerWaalsContact O-CD 3.26Å; Q519-K523 WeakPolarHBondContact O-CD 3.34Å; Q519-K523 WeakPolarHBondContact O-CG 3.47Å; Q519-K523 PolarHBondContact O-N 2.9Å; L520-K523 PolarHBondContact O-N 2.73Å; K523-K527 WeakPolarHBondContact O-CB 3.35Å; K523-K527 PolarHBondContact O-N 2.79Å
524	N	57.3	Low	50.1	Low	94 Å²	94	104.3 Å²	104.3	50%	0.503	55%	0.546	S	S	.	.	H	α-helix	trans	-74.1	-44.4	177.8	-71.5	-22.8	0	0	0	112.4	L520 T521 T522 L526 K527 T528	L520-N524 VanDerWaalsContact O-CB 3.31Å; L520-N524 WeakPolarHBondContact O-CB 3.34Å; L520-N524 PolarHBondContact O-N 3.14Å; L520-N524 PolarHBondContact O-ND2 3.33Å; T521-N524 PolarHBondContact O-N 3.41Å; T522-N524 VanDerWaalsContact C-N 3.29Å; T522-N524 PolarHBondContact O-N 3.22Å; N524-L526 VanDerWaalsContact C-N 3.32Å; N524-L526 PolarHBondContact O-N 2.98Å; N524-K527 CarbonylContact O-C 3.51Å; N524-K527 WeakPolarHBondContact O-CA 3.43Å; N524-K527 WeakPolarHBondContact O-CB 3.5Å; N524-K527 PolarHBondContact O-N 3.43Å; N524-T528 PolarHBondContact O-N 2.97Å; N524-T528 PolarHBondContact O-OG1 3.11Å
525	L	54.2	Low	49.7	Very low	97 Å²	97	108 Å²	108	51%	0.508	56%	0.559	S	S	.	*	H	α-helix	trans	-60.5	-39	174.8	-75.4	167.6	0	0	0	112.4	T521 T522 K527 T528 T529	T521-L525 HydrophobicContact CG2-CD1 3.88Å; T521-L525 HydrophobicContact CG2-CG 4.38Å; T521-L525 WeakPolarHBondContact O-CB 3.27Å; T521-L525 VanDerWaalsContact O-CG 3.26Å; T521-L525 WeakPolarHBondContact O-CG 3.16Å; T521-L525 PolarHBondContact O-N 3.27Å; T522-L525 PolarHBondContact O-N 3.06Å; L525-K527 PolarHBondContact O-N 2.98Å; L525-T528 PolarHBondContact O-N 3.36Å; L525-T528 PolarHBondContact O-OG1 2.92Å; L525-T529 PolarHBondContact O-N 2.65Å; L525-T529 VanDerWaalsContact O-N 3.12Å; L525-T529 PolarHBondContact O-OG1 3.27Å
526	L	52.3	Low	49.4	Very low	121 Å²	121	110.9 Å²	110.9	63%	0.634	57%	0.566	S	S	*	*	H	α-helix	trans	-70.9	-8.1	172.7	-72.1	169	0	0	0	113.7	T522 N524	T522-L526 VanDerWaalsContact O-CB 3.26Å; T522-L526 WeakPolarHBondContact O-CB 3.35Å; T522-L526 WeakPolarHBondContact O-CD1 3.47Å; T522-L526 VanDerWaalsContact O-CG 3.23Å; T522-L526 WeakPolarHBondContact O-CG 3.19Å; T522-L526 PolarHBondContact O-N 3.33Å; N524-L526 VanDerWaalsContact C-N 3.32Å; N524-L526 PolarHBondContact O-N 2.98Å
527	K	54.5	Low	48.9	Very low	176 Å²	176	113.8 Å²	113.8	77%	0.765	58%	0.577	S	S	*	*	H	α-helix	trans	-107.1	-19.3	177.8	-163.4	177.9	-177.5	-174.8	0	112.6	K523 N524 L525	K523-K527 WeakPolarHBondContact O-CB 3.35Å; K523-K527 PolarHBondContact O-N 2.79Å; N524-K527 CarbonylContact O-C 3.51Å; N524-K527 WeakPolarHBondContact O-CA 3.43Å; N524-K527 WeakPolarHBondContact O-CB 3.5Å; N524-K527 PolarHBondContact O-N 3.43Å; L525-K527 PolarHBondContact O-N 2.98Å
528	T	53.1	Low	48.3	Very low	112 Å²	112	116.2 Å²	116.2	69%	0.687	58%	0.582	S	S	*	*	H	α-helix	trans	-100.8	-11.8	175.9	57.1	0	0	0	0	114.2	N524 L525	N524-T528 PolarHBondContact O-N 2.97Å; N524-T528 PolarHBondContact O-OG1 3.11Å; L525-T528 PolarHBondContact O-N 3.36Å; L525-T528 PolarHBondContact O-OG1 2.92Å
529	T	40.9	Very low	47.7	Very low	76 Å²	76	120.9 Å²	120.9	47%	0.466	60%	0.597	S	S	.	*	S	Bend	trans	-83.8	138.4	174.1	40.1	0	0	0	0	112.3	L525	L525-T529 PolarHBondContact O-N 2.65Å; L525-T529 VanDerWaalsContact O-N 3.12Å; L525-T529 PolarHBondContact O-OG1 3.27Å
530	N	37.6	Very low	47	Very low	136 Å²	136	126 Å²	126	73%	0.727	62%	0.618	S	S	*	*			trans	-58.1	150.7	-176.5	-105	-37.1	0	0	0	112.9	Q532 F533	N530-Q532 PolarHBondContact O-N 2.98Å; N530-F533 PolarHBondContact O-N 2.85Å
531	P	46.3	Very low	46.1	Very low	105 Å²	105	124.4 Å²	124.4	68%	0.682	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-66	-2.2	-169.3	25.9	-34.7	0	0	0	115.8	F533 S534	P531-F533 PolarHBondContact O-N 3.24Å; P531-S534 VanDerWaalsContact O-CB 3.31Å; P531-S534 WeakPolarHBondContact O-CB 3.44Å; P531-S534 PolarHBondContact O-N 2.91Å; P531-S534 PolarHBondContact O-OG 3.2Å
532	Q	43.4	Very low	45	Very low	184 Å²	184	128.8 Å²	128.8	86%	0.86	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-67.4	-18.2	171.1	-66.6	-169.9	-7.5	0	0	113.4	N530 S534	N530-Q532 PolarHBondContact O-N 2.98Å; Q532-S534 PolarHBondContact O-N 2.96Å
533	F	42.3	Very low	43.6	Very low	108 Å²	108	131.6 Å²	131.6	47%	0.474	66%	0.662	S	S	.	*	G	3₁₀ helix	trans	-81	9.7	175.1	-119.2	-92.8	0	0	0	114.8	N530 P531 F535 M536	N530-F533 PolarHBondContact O-N 2.85Å; P531-F533 PolarHBondContact O-N 3.24Å; F533-F535 PolarHBondContact O-N 2.88Å; F533-M536 HydrophobicContact CD1-CG 4.41Å; F533-M536 HydrophobicContact CD1-SD 4.09Å; F533-M536 HydrophobicContact CE1-CE 4.09Å; F533-M536 HydrophobicContact CE1-CG 4.42Å; F533-M536 HydrophobicContact CE1-SD 3.88Å; F533-M536 PolarHBondContact O-N 2.85Å
534	S	39.9	Very low	42.6	Very low	94 Å²	94	135.2 Å²	135.2	66%	0.657	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-59.8	-17.6	-175.8	43.9	0	0	0	0	115.5	P531 Q532 M536 K537	P531-S534 VanDerWaalsContact O-CB 3.31Å; P531-S534 WeakPolarHBondContact O-CB 3.44Å; P531-S534 PolarHBondContact O-N 2.91Å; P531-S534 PolarHBondContact O-OG 3.2Å; Q532-S534 PolarHBondContact O-N 2.96Å; S534-M536 VanDerWaalsContact C-N 3.3Å; S534-M536 PolarHBondContact O-N 2.96Å; S534-K537 PolarHBondContact O-N 2.84Å
535	F	43.1	Very low	41.3	Very low	150 Å²	150	136.5 Å²	136.5	66%	0.658	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-63.3	-29.5	179.3	-160.5	-98.8	0	0	0	113.9	F533 K537 Y539	F533-F535 PolarHBondContact O-N 2.88Å; F535-K537 PolarHBondContact O-N 2.84Å; F535-K537 VanDerWaalsContact O-N 3.12Å; F535-Y539 HydrophobicContact CE1-CE2 4.2Å
536	M	44.7	Very low	39.9	Very low	102 Å²	102	142.4 Å²	142.4	50%	0.502	71%	0.709	S	S	.	*	G	3₁₀ helix	trans	-66.1	-14.6	-176.6	-94.8	-169.4	171.1	0	0	114.8	F533 S534 R538	F533-M536 HydrophobicContact CD1-CG 4.41Å; F533-M536 HydrophobicContact CD1-SD 4.09Å; F533-M536 HydrophobicContact CE1-CE 4.09Å; F533-M536 HydrophobicContact CE1-CG 4.42Å; F533-M536 HydrophobicContact CE1-SD 3.88Å; F533-M536 PolarHBondContact O-N 2.85Å; S534-M536 VanDerWaalsContact C-N 3.3Å; S534-M536 PolarHBondContact O-N 2.96Å; M536-R538 PolarHBondContact O-N 3.42Å
537	K	40.9	Very low	38.8	Very low	197 Å²	197	141.2 Å²	141.2	86%	0.857	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-71.8	-10.2	-176.5	-149.3	173.5	-175.8	-179.7	0	113.9	S534 F535	S534-K537 PolarHBondContact O-N 2.84Å; F535-K537 PolarHBondContact O-N 2.84Å; F535-K537 VanDerWaalsContact O-N 3.12Å
538	R	36.1	Very low	37.6	Very low	200 Å²	200	136.6 Å²	136.6	76%	0.755	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-85.6	-17.6	-171.6	-173.4	164	-78.6	-173.3	-3.9	115.8	M536	M536-R538 PolarHBondContact O-N 3.42Å
539	Y	40.8	Very low	36.3	Very low	164 Å²	164	137.1 Å²	137.1	64%	0.643	70%	0.704	S	S	*	*	S	Bend	trans	-100.9	3.8	-169.9	-73.3	-79.1	0	0	0	116.6	F535 G541	F535-Y539 HydrophobicContact CE1-CE2 4.2Å; Y539-G541 PolarHBondContact O-N 2.89Å; Y539-G541 VanDerWaalsContact O-N 3.15Å
540	K	38.3	Very low	35.7	Very low	202 Å²	202	139.6 Å²	139.6	88%	0.878	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	19.1	175.4	-70.9	-166.5	172.5	-171.6	0	114.6
541	G	35.3	Very low	35.2	Very low	60 Å²	60	140 Å²	140	62%	0.619	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-7.5	-174.1	0	0	0	0	0	116.6	Y539 T543	Y539-G541 PolarHBondContact O-N 2.89Å; Y539-G541 VanDerWaalsContact O-N 3.15Å; G541-T543 PolarHBondContact O-N 2.81Å
542	L	33.8	Very low	34.4	Very low	146 Å²	146	142.1 Å²	142.1	76%	0.764	73%	0.731	S	S	*	*			trans	-98.5	82.6	179.8	-79.9	85.5	0	0	0	111.6
543	T	27.8	Very low	33.8	Very low	126 Å²	126	139.5 Å²	139.5	77%	0.773	73%	0.728	S	S	*	*			trans	-91.9	114.7	159.4	49.5	0	0	0	0	109.3	G541	G541-T543 PolarHBondContact O-N 2.81Å
544	F	31.6	Very low	33.2	Very low	189 Å²	189	139.1 Å²	139.1	83%	0.829	74%	0.738	S	S	*	*			trans	-134.9	150.6	167.8	-86.5	-80.5	0	0	0	110.9
545	P	29.8	Very low	32.7	Very low	121 Å²	121	145.6 Å²	145.6	79%	0.786	75%	0.749	S	S	*	*			trans	-93.4	175.9	-157.7	37.4	-37.5	0	0	0	115.2
546	Y	26.5	Very low	32.1	Very low	222 Å²	222	146.3 Å²	146.3	87%	0.871	75%	0.754	S	S	*	*			trans	-59.8	130.9	176	-177.1	-82.3	0	0	0	113.8
547	S	28.7	Very low	31.4	Very low	96 Å²	96	147.9 Å²	147.9	67%	0.671	76%	0.763	S	S	*	*			trans	-165.6	129.3	137.1	-152.1	0	0	0	0	115.1
548	S	28.1	Very low	30.9	Very low	79 Å²	79	144.5 Å²	144.5	55%	0.552	75%	0.754	S	S	*	*			trans	44.7	127.7	135.3	67.5	0	0	0	0	124.1
549	T	26.2	Very low	30.6	Very low	123 Å²	123	141.4 Å²	141.4	76%	0.755	75%	0.753	S	S	*	*			trans	57.8	129.8	135.2	58.3	0	0	0	0	121.7
550	V	29.3	Very low	30.1	Very low	127 Å²	127	138.3 Å²	138.3	77%	0.77	76%	0.761	S	S	*	*				-166.5	137.4	103.9	143.9	0	0	0	0	112
551	N	27.5	Very low	29.7	Very low	146 Å²	146	133.9 Å²	133.9	78%	0.781	76%	0.755	S	S	*	*			trans	-6.4	144.2	167.8	-50.6	-16.4	0	0	0	121.8
552	V	27.6	Very low	29.5	Very low	148 Å²	148	138.1 Å²	138.1	90%	0.897	76%	0.762	S	S	*	*			trans	-112.3	134.3	165.2	173.9	0	0	0	0	109.8
553	T	31.4	Very low	29.2	Very low	129 Å²	129	138 Å²	138	79%	0.791	76%	0.763	S	S	*	*			trans	-113.8	99.9	176.1	49.3	0	0	0	0	113.1
554	S	29.2	Very low	29.3	Very low	100 Å²	100	139.5 Å²	139.5	70%	0.699	77%	0.766	S	S	*	*			trans	18.9	117.6	145.2	60.2	0	0	0	0	121
555	R	30.1	Very low	29.2	Very low	230 Å²	230	139 Å²	139	87%	0.868	77%	0.766	S	S	*	*				-174.2	113.3	109.5	-98.4	166.7	173.8	165	-1.5	108
556	Q	30.2	Very low	29.4	Very low	166 Å²	166	139.1 Å²	139.1	78%	0.776	76%	0.764	S	S	*	*				84.2	139.9	57.8	-164.8	-165.1	-1.1	0	0	112.4
557	I	30.7	Very low	29.5	Very low	135 Å²	135	133.4 Å²	133.4	69%	0.692	75%	0.748	S	S	*	*			trans	108.6	87.9	166.6	-56.3	-174.7	0	0	0	116.2
558	N	30.7	Very low	29.6	Very low	126 Å²	126	135.9 Å²	135.9	67%	0.674	76%	0.759	S	S	*	*				91.2	123.3	128.4	-71.4	46.1	0	0	0	124.3
559	D	29.3	Very low	29.6	Very low	135 Å²	135	139.3 Å²	139.3	72%	0.722	76%	0.764	S	S	*	*				76.8	86.4	126.6	-52.1	-12.8	0	0	0	122.2
560	A	29.9	Very low	29.7	Very low	98 Å²	98	141 Å²	141	81%	0.81	77%	0.768	S	S	*	*				49.5	100.1	116.7	0	0	0	0	0	120
561	S	30.1	Very low	29.7	Very low	109 Å²	109	142.8 Å²	142.8	76%	0.762	77%	0.774	S	S	*	*				-171	137.5	108.8	41.3	0	0	0	0	113.2
562	I	30.6	Very low	29.8	Very low	149 Å²	149	142.8 Å²	142.8	76%	0.764	78%	0.779	S	S	*	*				52.5	140.6	129.9	-60.1	172	0	0	0	120.2
563	D	28.6	Very low	29.7	Very low	145 Å²	145	140.6 Å²	140.6	78%	0.775	77%	0.771	S	S	*	*			trans	67.2	75.4	167.8	-63.3	-16.4	0	0	0	119.2	H565	D563-H565 PolarHBondContact O-N 2.8Å
564	D	29.7	Very low	29.6	Very low	157 Å²	157	142.6 Å²	142.6	84%	0.84	78%	0.776	S	S	*	*			trans	-75.7	68	168.7	-139.2	-7.7	0	0	0	111.6
565	H	29.6	Very low	29.6	Very low	179 Å²	179	145.8 Å²	145.8	83%	0.829	78%	0.783	S	S	*	*			trans	-109	43.8	176.8	-145.1	-56.1	0	0	0	111.9	D563 D567	D563-H565 PolarHBondContact O-N 2.8Å; H565-D567 PolarHBondContact O-N 2.85Å
566	V	32.7	Very low	29.4	Very low	122 Å²	122	144.2 Å²	144.2	74%	0.739	79%	0.786	S	S	*	*			trans	-72.5	109.1	-169.7	-177.3	0	0	0	0	112.7
567	D	28.6	Very low	29.5	Very low	102 Å²	102	144.2 Å²	144.2	55%	0.545	79%	0.789	S	S	.	*			trans	-66.1	144.3	177.9	-156.9	3.8	0	0	0	112.3	H565 K569	H565-D567 PolarHBondContact O-N 2.85Å; D567-K569 PolarHBondContact O-N 2.82Å; D567-K569 WeakPolarHBondContact OD2-CD 3.3Å; D567-K569 WeakPolarHBondContact OD2-CE 3.33Å; D567-K569 IonicContact OD2-NZ 3.8Å; D567-K569 PolarHBondContact OD2-NZ 3.05Å
568	V	32	Very low	29.5	Very low	148 Å²	148	146.1 Å²	146.1	90%	0.897	80%	0.795	S	S	*	*	S	Bend	trans	-81.3	68.4	-178.9	-173.5	0	0	0	0	110.4
569	K	28.6	Very low	29.4	Very low	151 Å²	151	150.4 Å²	150.4	66%	0.657	81%	0.808	S	S	*	*			trans	-141.1	85.1	178.2	-68.7	175.1	-172.9	141.7	0	110.8	D567	D567-K569 PolarHBondContact O-N 2.82Å; D567-K569 WeakPolarHBondContact OD2-CD 3.3Å; D567-K569 WeakPolarHBondContact OD2-CE 3.33Å; D567-K569 IonicContact OD2-NZ 3.8Å; D567-K569 PolarHBondContact OD2-NZ 3.05Å
570	N	27.9	Very low	29.6	Very low	159 Å²	159	149.3 Å²	149.3	85%	0.85	81%	0.811	S	S	*	*			trans	-173.5	75.9	156.6	-96.2	-26.2	0	0	0	111
571	N	29.7	Very low	29.6	Very low	165 Å²	165	150.7 Å²	150.7	88%	0.882	81%	0.809	S	S	*	*			trans	-148.1	29.1	168.6	-103	-30.5	0	0	0	111.9
572	T	28.6	Very low	29.6	Very low	146 Å²	146	153.2 Å²	153.2	90%	0.896	81%	0.814	S	S	*	*			trans	-118	48.5	-174	-39.8	0	0	0	0	110.8
573	S	26.6	Very low	29.6	Very low	102 Å²	102	149.4 Å²	149.4	71%	0.713	81%	0.812	S	S	*	*			trans	-151.1	53.7	-168.7	63.2	0	0	0	0	114.2
574	L	28.7	Very low	29.9	Very low	171 Å²	171	149.4 Å²	149.4	90%	0.895	81%	0.811	S	S	*	*			trans	-151.2	40.7	169.5	-149.9	100	0	0	0	115.7
575	I	29.5	Very low	30.1	Very low	167 Å²	167	149.5 Å²	149.5	86%	0.856	81%	0.81	S	S	*	*			trans	-131.6	78.5	162.3	-50.6	-178.9	0	0	0	109.7
576	Q	26	Very low	30.5	Very low	197 Å²	197	146.5 Å²	146.5	92%	0.921	81%	0.805	S	S	*	*			trans	-125.3	99.7	155.3	-83.5	-170.6	-41.5	0	0	107.6
577	I	31	Very low	31	Very low	166 Å²	166	143.5 Å²	143.5	85%	0.851	79%	0.789	S	S	*	*			trans	-132.5	141.6	162.3	-61.8	-176.5	0	0	0	106.2
578	E	31.3	Very low	31.7	Very low	175 Å²	175	145.1 Å²	145.1	82%	0.818	80%	0.798	S	S	*	*			trans	-76.8	152.2	-152.9	-65	154.2	106	0	0	115.1
579	K	27.8	Very low	32.4	Very low	216 Å²	216	143.9 Å²	143.9	94%	0.939	79%	0.786	S	S	*	*			trans	-77.6	113.5	154	-74.9	-178.5	176.5	179.2	0	108.4
580	S	34.5	Very low	33.3	Very low	112 Å²	112	140.8 Å²	140.8	78%	0.783	78%	0.777	S	S	*	*			trans	-115.9	121.6	162.9	42.5	0	0	0	0	109.7
581	T	29.1	Very low	34.1	Very low	126 Å²	126	139.7 Å²	139.7	77%	0.773	77%	0.765	S	S	*	*			trans	-83.9	137	176.4	41.2	0	0	0	0	111
582	N	31.4	Very low	35	Very low	163 Å²	163	137.4 Å²	137.4	87%	0.872	75%	0.748	S	S	*	*			trans	168.8	160.2	131.8	-82.7	-16.2	0	0	0	110.5
583	G	30.7	Very low	36	Very low	69 Å²	69	134.8 Å²	134.8	71%	0.711	73%	0.728	S	S	*	*			trans	107.9	93.3	163.6	0	0	0	0	0	117
584	D	33.2	Very low	37.3	Very low	144 Å²	144	133.5 Å²	133.5	77%	0.77	72%	0.716	S	S	*	*			trans	28.1	118.8	144.7	-56.3	-29.4	0	0	0	123
585	I	34.5	Very low	38.4	Very low	160 Å²	160	130.4 Å²	130.4	82%	0.821	70%	0.7	S	S	*	*				33.9	100.1	124.8	-48.1	175.1	0	0	0	117.1
586	T	37.3	Very low	39.5	Very low	116 Å²	116	130.4 Å²	130.4	71%	0.712	69%	0.689	S	S	*	*			trans	-157.4	167.6	145.4	7.7	0	0	0	0	109.5
587	S	43.7	Very low	40.8	Very low	59 Å²	59	125.9 Å²	125.9	41%	0.413	67%	0.668	S	S	.	*			trans	-25.1	127.7	-175.2	22.4	0	0	0	0	117.6	D589 D590	S587-D589 VanDerWaalsContact C-N 3.28Å; S587-D589 PolarHBondContact O-N 3.49Å; S587-D590 WeakPolarHBondContact CB-OD2 3.19Å; S587-D590 PolarHBondContact OG-OD2 3.27Å
588	N	43.4	Very low	41.8	Very low	136 Å²	136	121.9 Å²	121.9	73%	0.727	65%	0.648	S	S	*	*	H	α-helix	trans	-67.7	-23.9	176.1	-87.2	-24.1	0	0	0	113.8
589	D	47.9	Very low	42.9	Very low	121 Å²	121	117.1 Å²	117.1	65%	0.647	64%	0.635	S	S	*	*	H	α-helix	trans	-76.2	-36.4	-175.8	-59.8	-59	0	0	0	112.8	S587 K591 Q592 I593	S587-D589 VanDerWaalsContact C-N 3.28Å; S587-D589 PolarHBondContact O-N 3.49Å; D589-K591 VanDerWaalsContact C-N 3.34Å; D589-K591 PolarHBondContact O-N 3.46Å; D589-Q592 PolarHBondContact O-N 2.69Å; D589-I593 PolarHBondContact O-N 3.32Å
590	D	46.8	Very low	44.4	Very low	86 Å²	86	112.7 Å²	112.7	46%	0.46	62%	0.617	S	S	.	*	H	α-helix	trans	-65.8	-35	-178.7	-67.5	-63	0	0	0	112.5	S587 Q592 I593 V594	S587-D590 WeakPolarHBondContact CB-OD2 3.19Å; S587-D590 PolarHBondContact OG-OD2 3.27Å; D590-Q592 VanDerWaalsContact C-N 3.33Å; D590-Q592 PolarHBondContact O-N 2.63Å; D590-I593 PolarHBondContact O-N 3.06Å; D590-I593 VanDerWaalsContact O-N 3.11Å; D590-V594 WeakPolarHBondContact O-CG2 3.41Å; D590-V594 PolarHBondContact O-N 2.83Å
591	K	45.2	Very low	45.7	Very low	137 Å²	137	113.3 Å²	113.3	60%	0.596	61%	0.606	S	S	*	*	H	α-helix	trans	-60.1	-41.5	176.6	-77.5	-177.5	176.3	172.6	0	112	D589 I593 V594 D595	D589-K591 VanDerWaalsContact C-N 3.34Å; D589-K591 PolarHBondContact O-N 3.46Å; K591-I593 VanDerWaalsContact C-N 3.28Å; K591-I593 PolarHBondContact O-N 3.42Å; K591-V594 PolarHBondContact O-N 3.21Å; K591-D595 WeakPolarHBondContact O-CB 3.37Å; K591-D595 PolarHBondContact O-N 3.42Å
592	Q	47.1	Very low	46.5	Very low	116 Å²	116	113.2 Å²	113.2	54%	0.542	60%	0.6	S	S	.	*	H	α-helix	trans	-65.6	-31.4	176.3	-68.4	-160.1	35.1	0	0	113	D589 D590 R596	D589-Q592 PolarHBondContact O-N 2.69Å; D590-Q592 VanDerWaalsContact C-N 3.33Å; D590-Q592 PolarHBondContact O-N 2.63Å; Q592-R596 WeakPolarHBondContact O-CB 3.35Å; Q592-R596 WeakPolarHBondContact O-CG 2.83Å; Q592-R596 PolarHBondContact O-N 2.88Å; Q592-R596 VanDerWaalsContact O-N 3.15Å
593	I	50.8	Low	47.8	Very low	92 Å²	92	108 Å²	108	47%	0.472	58%	0.576	S	S	.	*	H	α-helix	trans	-73.1	-46.1	177.4	-62.3	172.6	0	0	0	110	D589 D590 K591 R596 Q597	D589-I593 PolarHBondContact O-N 3.32Å; D590-I593 PolarHBondContact O-N 3.06Å; D590-I593 VanDerWaalsContact O-N 3.11Å; K591-I593 VanDerWaalsContact C-N 3.28Å; K591-I593 PolarHBondContact O-N 3.42Å; I593-R596 PolarHBondContact O-N 2.96Å; I593-Q597 WeakPolarHBondContact O-CG 3.41Å; I593-Q597 PolarHBondContact O-N 3.46Å
594	V	52.8	Low	49.2	Very low	75 Å²	75	111 Å²	111	46%	0.455	57%	0.572	S	S	.	*	H	α-helix	trans	-63.1	-45.3	177.8	173.1	0	0	0	0	111.3	D590 K591 R596 Q597 N598	D590-V594 WeakPolarHBondContact O-CG2 3.41Å; D590-V594 PolarHBondContact O-N 2.83Å; K591-V594 PolarHBondContact O-N 3.21Å; V594-R596 PolarHBondContact O-N 3.3Å; V594-Q597 PolarHBondContact O-N 2.95Å; V594-N598 WeakPolarHBondContact O-CB 3.26Å; V594-N598 VanDerWaalsContact O-CG 3.32Å; V594-N598 PolarHBondContact O-N 2.95Å; V594-N598 PolarHBondContact O-ND2 3.15Å
595	D	51.8	Low	50.3	Low	106 Å²	106	109.7 Å²	109.7	57%	0.567	56%	0.561	S	S	*	*	H	α-helix	trans	-64.9	-37.5	177.9	-73.9	-25.3	0	0	0	112.2	K591 S599	K591-D595 WeakPolarHBondContact O-CB 3.37Å; K591-D595 PolarHBondContact O-N 3.42Å; D595-S599 VanDerWaalsContact O-CB 3.23Å; D595-S599 WeakPolarHBondContact O-CB 3.49Å; D595-S599 PolarHBondContact O-N 2.89Å
596	R	52.4	Low	51.5	Low	166 Å²	166	107.2 Å²	107.2	63%	0.626	55%	0.549	S	S	*	.	H	α-helix	trans	-64.9	-43.8	172.4	-76.6	176	-170.3	-161.1	7.5	112.1	Q592 I593 V594 S599 Q600	Q592-R596 WeakPolarHBondContact O-CB 3.35Å; Q592-R596 WeakPolarHBondContact O-CG 2.83Å; Q592-R596 PolarHBondContact O-N 2.88Å; Q592-R596 VanDerWaalsContact O-N 3.15Å; I593-R596 PolarHBondContact O-N 2.96Å; V594-R596 PolarHBondContact O-N 3.3Å; R596-S599 PolarHBondContact O-N 3.44Å; R596-Q600 WeakPolarHBondContact O-CB 3.49Å; R596-Q600 WeakPolarHBondContact O-CG 3.49Å; R596-Q600 PolarHBondContact O-N 2.88Å
597	Q	54.5	Low	53.1	Low	103 Å²	103	106.2 Å²	106.2	48%	0.481	54%	0.539	S	S	.	.	H	α-helix	trans	-65.4	-39.4	177.3	-73.4	-174.1	10	0	0	112.2	I593 V594 Q600 K601	I593-Q597 WeakPolarHBondContact O-CG 3.41Å; I593-Q597 PolarHBondContact O-N 3.46Å; V594-Q597 PolarHBondContact O-N 2.95Å; Q597-Q600 PolarHBondContact O-N 3.14Å; Q597-K601 WeakPolarHBondContact O-CG 2.96Å; Q597-K601 PolarHBondContact O-N 3.09Å
598	N	51.2	Low	54.4	Low	81 Å²	81	109.8 Å²	109.8	43%	0.433	55%	0.55	S	S	.	.	H	α-helix	trans	-67.3	-42.1	175.6	-72.6	-23.5	0	0	0	111.5	V594 Q600 K601 L602	V594-N598 WeakPolarHBondContact O-CB 3.26Å; V594-N598 VanDerWaalsContact O-CG 3.32Å; V594-N598 PolarHBondContact O-N 2.95Å; V594-N598 PolarHBondContact O-ND2 3.15Å; N598-Q600 VanDerWaalsContact C-N 3.35Å; N598-Q600 PolarHBondContact O-N 3.15Å; N598-K601 PolarHBondContact O-N 3.23Å; N598-L602 VanDerWaalsContact O-CB 3.29Å; N598-L602 WeakPolarHBondContact O-CB 3.46Å; N598-L602 PolarHBondContact O-N 3.06Å
599	S	54.6	Low	55.7	Low	76 Å²	76	109.7 Å²	109.7	53%	0.531	55%	0.545	S	S	.	.	H	α-helix	trans	-61.5	-39.5	173.4	-176	0	0	0	0	112.7	D595 R596 S603	D595-S599 VanDerWaalsContact O-CB 3.23Å; D595-S599 WeakPolarHBondContact O-CB 3.49Å; D595-S599 PolarHBondContact O-N 2.89Å; R596-S599 PolarHBondContact O-N 3.44Å; S599-S603 WeakPolarHBondContact O-CB 3.5Å; S599-S603 PolarHBondContact O-N 3.13Å; S599-S603 PolarHBondContact O-OG 3.09Å
600	Q	59.4	Low	57.1	Low	123 Å²	123	107 Å²	107	58%	0.575	53%	0.533	S	S	*	.	H	α-helix	trans	-67.4	-41.2	174.1	-75.7	-179	-15	0	0	112.8	R596 Q597 N598 S603 Q604	R596-Q600 WeakPolarHBondContact O-CB 3.49Å; R596-Q600 WeakPolarHBondContact O-CG 3.49Å; R596-Q600 PolarHBondContact O-N 2.88Å; Q597-Q600 PolarHBondContact O-N 3.14Å; N598-Q600 VanDerWaalsContact C-N 3.35Å; N598-Q600 PolarHBondContact O-N 3.15Å; Q600-S603 WeakPolarHBondContact CA-OG 3.24Å; Q600-S603 PolarHBondContact O-OG 3.35Å; Q600-S603 VanDerWaalsContact O-OG 3.12Å; Q600-Q604 WeakPolarHBondContact O-CB 3.44Å; Q600-Q604 VanDerWaalsContact O-CG 3.28Å; Q600-Q604 WeakPolarHBondContact O-CG 3.33Å; Q600-Q604 PolarHBondContact O-N 3.27Å
601	K	61.1	Low	58.1	Low	125 Å²	125	109.4 Å²	109.4	54%	0.543	54%	0.535	S	S	.	.	H	α-helix	trans	-64.2	-44.6	173.2	-75.9	175.4	179.3	171.6	0	112	Q597 N598 Q604 Q605	Q597-K601 WeakPolarHBondContact O-CG 2.96Å; Q597-K601 PolarHBondContact O-N 3.09Å; N598-K601 PolarHBondContact O-N 3.23Å; K601-Q604 PolarHBondContact O-N 3.37Å; K601-Q605 PolarHBondContact O-N 2.86Å
602	L	46.1	Very low	59.7	Low	123 Å²	123	107.8 Å²	107.8	64%	0.644	53%	0.532	S	S	*	.	H	α-helix	trans	-62.9	-44.3	-179.8	-170.3	70.6	0	0	0	111.4	N598 Q605 L606	N598-L602 VanDerWaalsContact O-CB 3.29Å; N598-L602 WeakPolarHBondContact O-CB 3.46Å; N598-L602 PolarHBondContact O-N 3.06Å; L602-Q605 PolarHBondContact O-N 3.14Å; L602-L606 WeakPolarHBondContact O-CB 3.43Å; L602-L606 PolarHBondContact O-N 3.43Å
603	S	59	Low	61.2	Low	54 Å²	54	105 Å²	105	38%	0.378	53%	0.529	S	S	.	.	H	α-helix	trans	-68.7	-31.6	175.9	52.1	0	0	0	0	113.2	S599 Q600 N607	S599-S603 WeakPolarHBondContact O-CB 3.5Å; S599-S603 PolarHBondContact O-N 3.13Å; S599-S603 PolarHBondContact O-OG 3.09Å; Q600-S603 WeakPolarHBondContact CA-OG 3.24Å; Q600-S603 PolarHBondContact O-OG 3.35Å; Q600-S603 VanDerWaalsContact O-OG 3.12Å; S603-N607 WeakPolarHBondContact O-CB 3.49Å; S603-N607 VanDerWaalsContact O-CG 3.31Å; S603-N607 PolarHBondContact O-N 2.73Å; S603-N607 PolarHBondContact O-ND2 2.84Å
604	Q	59.6	Low	62.5	Low	132 Å²	132	104.9 Å²	104.9	62%	0.617	53%	0.529	S	S	*	.	H	α-helix	trans	-66.5	-42.5	169.7	-75.4	176.1	6.9	0	0	112.5	Q600 K601 N607 Q608	Q600-Q604 WeakPolarHBondContact O-CB 3.44Å; Q600-Q604 VanDerWaalsContact O-CG 3.28Å; Q600-Q604 WeakPolarHBondContact O-CG 3.33Å; Q600-Q604 PolarHBondContact O-N 3.27Å; K601-Q604 PolarHBondContact O-N 3.37Å; Q604-N607 PolarHBondContact O-N 3.15Å; Q604-Q608 PolarHBondContact O-N 3.07Å
605	Q	57.8	Low	63.6	Low	116 Å²	116	104 Å²	104	54%	0.542	53%	0.529	S	S	.	.	H	α-helix	trans	-66.8	-41.5	175.6	-74	-176.2	-41.8	0	0	112.3	K601 L602 N607 Q608 Q609	K601-Q605 PolarHBondContact O-N 2.86Å; L602-Q605 PolarHBondContact O-N 3.14Å; Q605-N607 VanDerWaalsContact C-N 3.3Å; Q605-N607 PolarHBondContact O-N 2.78Å; Q605-Q608 PolarHBondContact O-N 2.88Å; Q605-Q608 VanDerWaalsContact O-N 3.13Å; Q605-Q609 PolarHBondContact O-N 2.81Å
606	L	58.5	Low	65	Low	108 Å²	108	104.1 Å²	104.1	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-60.2	-41.4	174.9	-167.3	71	0	0	0	111.1	L602 Q609 T610	L602-L606 WeakPolarHBondContact O-CB 3.43Å; L602-L606 PolarHBondContact O-N 3.43Å; L606-Q609 PolarHBondContact O-N 2.95Å; L606-T610 WeakPolarHBondContact O-CG2 3.44Å; L606-T610 PolarHBondContact O-N 2.57Å; L606-T610 PolarHBondContact O-OG1 3.34Å
607	N	72.2	Confident	66.4	Low	95 Å²	95	101.5 Å²	101.5	51%	0.508	53%	0.525	S	S	.	.	H	α-helix	trans	-64.6	-39	173	-78.9	-39.1	0	0	0	112.9	S603 Q604 Q605 T610 W611	S603-N607 WeakPolarHBondContact O-CB 3.49Å; S603-N607 VanDerWaalsContact O-CG 3.31Å; S603-N607 PolarHBondContact O-N 2.73Å; S603-N607 PolarHBondContact O-ND2 2.84Å; Q604-N607 PolarHBondContact O-N 3.15Å; Q605-N607 VanDerWaalsContact C-N 3.3Å; Q605-N607 PolarHBondContact O-N 2.78Å; N607-T610 WeakPolarHBondContact CA-OG1 3.49Å; N607-T610 PolarHBondContact O-OG1 2.93Å; N607-T610 VanDerWaalsContact O-OG1 3.05Å; N607-W611 PolarHBondContact O-N 2.9Å
608	Q	70.1	Confident	67.5	Low	135 Å²	135	98.6 Å²	98.6	63%	0.631	52%	0.515	S	S	*	.	H	α-helix	trans	-63.7	-42.8	173.3	-78	-172.5	-26.2	0	0	112	Q604 Q605 W611 I612	Q604-Q608 PolarHBondContact O-N 3.07Å; Q605-Q608 PolarHBondContact O-N 2.88Å; Q605-Q608 VanDerWaalsContact O-N 3.13Å; Q608-W611 PolarHBondContact O-N 2.92Å; Q608-I612 VanDerWaalsContact O-CG1 3.3Å; Q608-I612 WeakPolarHBondContact O-CG1 3.37Å; Q608-I612 PolarHBondContact O-N 2.85Å
609	Q	71.2	Confident	68.8	Low	133 Å²	133	100.9 Å²	100.9	62%	0.621	52%	0.521	S	S	*	.	H	α-helix	trans	-65.2	-40.4	178.2	-71.9	-175.6	-6.2	0	0	112.4	Q605 L606 I612 A613	Q605-Q609 PolarHBondContact O-N 2.81Å; L606-Q609 PolarHBondContact O-N 2.95Å; Q609-I612 PolarHBondContact O-N 2.88Å; Q609-A613 WeakPolarHBondContact O-CB 3.49Å; Q609-A613 PolarHBondContact O-N 2.89Å
610	T	76.9	Confident	69.9	Low	65 Å²	65	100.7 Å²	100.7	40%	0.399	52%	0.52	S	S	.	.	H	α-helix	trans	-67.3	-37.4	175.5	52.9	0	0	0	0	112.5	L606 N607 A613 L614	L606-T610 WeakPolarHBondContact O-CG2 3.44Å; L606-T610 PolarHBondContact O-N 2.57Å; L606-T610 PolarHBondContact O-OG1 3.34Å; N607-T610 WeakPolarHBondContact CA-OG1 3.49Å; N607-T610 PolarHBondContact O-OG1 2.93Å; N607-T610 VanDerWaalsContact O-OG1 3.05Å; T610-A613 PolarHBondContact O-N 2.83Å; T610-L614 WeakPolarHBondContact O-CB 3.33Å; T610-L614 WeakPolarHBondContact O-CG 3.35Å; T610-L614 PolarHBondContact O-N 2.83Å
611	W	68.4	Low	70.7	Confident	136 Å²	136	100.3 Å²	100.3	52%	0.515	51%	0.514	S	S	.	.	H	α-helix	trans	-63.4	-39.3	171.5	-82.3	114.7	0	0	0	112.8	N607 Q608 A615	N607-W611 PolarHBondContact O-N 2.9Å; Q608-W611 PolarHBondContact O-N 2.92Å; W611-A615 WeakPolarHBondContact O-CB 3.47Å; W611-A615 PolarHBondContact O-N 2.82Å
612	I	78.7	Confident	71.4	Confident	104 Å²	104	96.7 Å²	96.7	53%	0.533	50%	0.498	S	S	.	.	H	α-helix	trans	-66.4	-42.9	175.3	-68.5	164.2	0	0	0	110.7	Q608 Q609 A615 L616	Q608-I612 VanDerWaalsContact O-CG1 3.3Å; Q608-I612 WeakPolarHBondContact O-CG1 3.37Å; Q608-I612 PolarHBondContact O-N 2.85Å; Q609-I612 PolarHBondContact O-N 2.88Å; I612-A615 PolarHBondContact O-N 3.35Å; I612-L616 HydrophobicContact CG2-CD1 4.08Å; I612-L616 WeakPolarHBondContact O-CG 3.22Å; I612-L616 PolarHBondContact O-N 2.82Å
613	A	77.2	Confident	72.9	Confident	58 Å²	58	95.1 Å²	95.1	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-45	175.9	0	0	0	0	0	112	Q609 T610 A615 L616 Q617	Q609-A613 WeakPolarHBondContact O-CB 3.49Å; Q609-A613 PolarHBondContact O-N 2.89Å; T610-A613 PolarHBondContact O-N 2.83Å; A613-A615 PolarHBondContact O-N 3.25Å; A613-L616 PolarHBondContact O-N 3.47Å; A613-Q617 WeakPolarHBondContact O-CB 3.47Å; A613-Q617 PolarHBondContact O-N 2.72Å
614	L	78.1	Confident	73.7	Confident	88 Å²	88	98.3 Å²	98.3	46%	0.461	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-38.8	175.1	-75.5	167.2	0	0	0	112.4	T610 Q617 S618	T610-L614 WeakPolarHBondContact O-CB 3.33Å; T610-L614 WeakPolarHBondContact O-CG 3.35Å; T610-L614 PolarHBondContact O-N 2.83Å; L614-Q617 PolarHBondContact O-N 3.47Å; L614-S618 PolarHBondContact O-N 3.3Å; L614-S618 PolarHBondContact O-OG 3.22Å
615	A	76.6	Confident	74.5	Confident	56 Å²	56	95.2 Å²	95.2	46%	0.463	48%	0.481	S	S	.	.	H	α-helix	trans	-67.1	-39	175.6	0	0	0	0	0	112.4	W611 I612 A613 S618 K619	W611-A615 WeakPolarHBondContact O-CB 3.47Å; W611-A615 PolarHBondContact O-N 2.82Å; I612-A615 PolarHBondContact O-N 3.35Å; A613-A615 PolarHBondContact O-N 3.25Å; A615-S618 PolarHBondContact O-OG 3.07Å; A615-K619 WeakPolarHBondContact O-CB 3.41Å; A615-K619 PolarHBondContact O-N 2.7Å
616	L	81.4	Confident	75.3	Confident	109 Å²	109	96.2 Å²	96.2	57%	0.571	48%	0.48	S	S	*	.	H	α-helix	trans	-67.3	-38.8	172.2	-72.4	169.3	0	0	0	111.5	I612 A613 S620	I612-L616 HydrophobicContact CG2-CD1 4.08Å; I612-L616 WeakPolarHBondContact O-CG 3.22Å; I612-L616 PolarHBondContact O-N 2.82Å; A613-L616 PolarHBondContact O-N 3.47Å; L616-S620 VanDerWaalsContact O-CB 3.22Å; L616-S620 WeakPolarHBondContact O-CB 3.21Å; L616-S620 PolarHBondContact O-N 2.92Å
617	Q	81.3	Confident	76.3	Confident	112 Å²	112	99 Å²	99	52%	0.523	48%	0.483	S	S	.	.	H	α-helix	trans	-67	-41.4	176.6	-168	-177.3	18.6	0	0	112	A613 L614 S620 R621	A613-Q617 WeakPolarHBondContact O-CB 3.47Å; A613-Q617 PolarHBondContact O-N 2.72Å; L614-Q617 PolarHBondContact O-N 3.47Å; Q617-S620 PolarHBondContact O-N 3.44Å; Q617-R621 WeakPolarHBondContact O-CB 3.46Å; Q617-R621 VanDerWaalsContact O-CG 3.31Å; Q617-R621 WeakPolarHBondContact O-CG 3.45Å; Q617-R621 PolarHBondContact O-N 2.88Å
618	S	77.4	Confident	76.7	Confident	41 Å²	41	98.6 Å²	98.6	29%	0.287	48%	0.48	S	S	.	.	H	α-helix	trans	-64.9	-46.5	174.8	67	0	0	0	0	111.3	L614 A615 S620 R621 E622	L614-S618 PolarHBondContact O-N 3.3Å; L614-S618 PolarHBondContact O-OG 3.22Å; A615-S618 PolarHBondContact O-OG 3.07Å; S618-S620 VanDerWaalsContact C-N 3.3Å; S618-S620 PolarHBondContact O-N 3.37Å; S618-R621 PolarHBondContact O-N 3.42Å; S618-E622 PolarHBondContact O-N 2.93Å
619	K	78.5	Confident	77	Confident	129 Å²	129	94.9 Å²	94.9	56%	0.561	46%	0.464	S	S	*	.	H	α-helix	trans	-58.2	-40.6	173.9	-173.2	178.3	-179.2	-178.8	0	112.3	A615 Q623	A615-K619 WeakPolarHBondContact O-CB 3.41Å; A615-K619 PolarHBondContact O-N 2.7Å; K619-Q623 WeakPolarHBondContact O-CB 3.46Å; K619-Q623 VanDerWaalsContact O-CG 3.29Å; K619-Q623 WeakPolarHBondContact O-CG 3.39Å; K619-Q623 PolarHBondContact O-N 3.1Å
620	S	77.6	Confident	77.3	Confident	73 Å²	73	94 Å²	94	51%	0.51	46%	0.461	S	S	.	.	H	α-helix	trans	-67.6	-45.1	176.9	-173.9	0	0	0	0	112.1	L616 Q617 S618 E622 Q623 H624	L616-S620 VanDerWaalsContact O-CB 3.22Å; L616-S620 WeakPolarHBondContact O-CB 3.21Å; L616-S620 PolarHBondContact O-N 2.92Å; Q617-S620 PolarHBondContact O-N 3.44Å; S618-S620 VanDerWaalsContact C-N 3.3Å; S618-S620 PolarHBondContact O-N 3.37Å; S620-E622 PolarHBondContact O-N 3.04Å; S620-Q623 PolarHBondContact O-N 2.9Å; S620-H624 WeakPolarHBondContact O-CB 3.41Å; S620-H624 PolarHBondContact O-N 2.88Å
621	R	76.2	Confident	77.6	Confident	115 Å²	115	97.8 Å²	97.8	43%	0.434	47%	0.468	S	S	.	.	H	α-helix	trans	-59.3	-45.9	174.2	-72.7	-175.5	-54.3	151.7	17.8	111.4	E518 Q617 S618 H624 K625	E518-R621 IonicContact OE1-CZ 3.01Å; E518-R621 IonicContact OE1-NH1 2.9Å; E518-R621 IonicContact OE1-NH2 2.68Å; E518-R621 PolarHBondContact OE1-NH2 3.09Å; E518-R621 IonicContact OE2-NH2 2.86Å; Q617-R621 WeakPolarHBondContact O-CB 3.46Å; Q617-R621 VanDerWaalsContact O-CG 3.31Å; Q617-R621 WeakPolarHBondContact O-CG 3.45Å; Q617-R621 PolarHBondContact O-N 2.88Å; S618-R621 PolarHBondContact O-N 3.42Å; R621-H624 WeakPolarHBondContact O-CB 3.27Å; R621-H624 PolarHBondContact O-N 3.33Å; R621-K625 WeakPolarHBondContact O-CG 3.21Å; R621-K625 PolarHBondContact O-N 3.42Å
622	E	76	Confident	78.3	Confident	48 Å²	48	95.1 Å²	95.1	22%	0.224	46%	0.463	C	S	.	.	H	α-helix	trans	-65.5	-40.8	177.2	-74.8	-59.9	114.7	0	0	112.8	S618 S620 H624 K625 R626	S618-E622 PolarHBondContact O-N 2.93Å; S620-E622 PolarHBondContact O-N 3.04Å; E622-H624 VanDerWaalsContact C-N 3.31Å; E622-H624 PolarHBondContact O-N 3.34Å; E622-K625 PolarHBondContact O-N 3.1Å; E622-K625 WeakPolarHBondContact OE1-CD 3.34Å; E622-K625 WeakPolarHBondContact OE1-CE 3.28Å; E622-K625 IonicContact OE1-NZ 3.93Å; E622-K625 PolarHBondContact OE1-NZ 3.48Å; E622-R626 WeakPolarHBondContact O-CB 3.19Å; E622-R626 WeakPolarHBondContact O-CD 3.29Å; E622-R626 VanDerWaalsContact O-CG 3.23Å; E622-R626 WeakPolarHBondContact O-CG 3.36Å; E622-R626 PolarHBondContact O-N 2.69Å
623	Q	77.4	Confident	78.5	Confident	91 Å²	91	90.9 Å²	90.9	43%	0.425	44%	0.441	S	S	.	.	H	α-helix	trans	-64.1	-35.6	172.1	-76.2	-178.2	-16.8	0	0	112.3	K619 S620 R627	K619-Q623 WeakPolarHBondContact O-CB 3.46Å; K619-Q623 VanDerWaalsContact O-CG 3.29Å; K619-Q623 WeakPolarHBondContact O-CG 3.39Å; K619-Q623 PolarHBondContact O-N 3.1Å; S620-Q623 PolarHBondContact O-N 2.9Å; Q623-R627 WeakPolarHBondContact O-CB 2.97Å; Q623-R627 VanDerWaalsContact O-CG 3.23Å; Q623-R627 WeakPolarHBondContact O-CG 3.16Å; Q623-R627 PolarHBondContact O-N 3.2Å
624	H	77	Confident	78.8	Confident	120 Å²	120	95 Å²	95	56%	0.556	44%	0.444	S	S	*	.	H	α-helix	trans	-68	-47.4	175.3	-168.6	105.5	0	0	0	111.4	S620 R621 E622 R626 R627 L628	S620-H624 WeakPolarHBondContact O-CB 3.41Å; S620-H624 PolarHBondContact O-N 2.88Å; R621-H624 WeakPolarHBondContact O-CB 3.27Å; R621-H624 PolarHBondContact O-N 3.33Å; E622-H624 VanDerWaalsContact C-N 3.31Å; E622-H624 PolarHBondContact O-N 3.34Å; H624-R626 PolarHBondContact O-N 2.97Å; H624-R627 PolarHBondContact O-N 3.33Å; H624-L628 WeakPolarHBondContact O-CB 3.42Å; H624-L628 PolarHBondContact O-N 2.72Å
625	K	75.2	Confident	79.2	Confident	68 Å²	68	94.3 Å²	94.3	30%	0.296	44%	0.441	S	S	.	.	H	α-helix	trans	-57.3	-47.3	174.6	-70.6	-179.3	-161.5	170	0	111.8	D514 R621 E622 R627 L628 M629	D514-K625 VanDerWaalsContact CB-NZ 3.31Å; D514-K625 VanDerWaalsContact OD2-CE 3.24Å; D514-K625 WeakPolarHBondContact OD2-CE 3.31Å; D514-K625 IonicContact OD2-NZ 3.25Å; D514-K625 PolarHBondContact OD2-NZ 3.26Å; R621-K625 WeakPolarHBondContact O-CG 3.21Å; R621-K625 PolarHBondContact O-N 3.42Å; E622-K625 PolarHBondContact O-N 3.1Å; E622-K625 WeakPolarHBondContact OE1-CD 3.34Å; E622-K625 WeakPolarHBondContact OE1-CE 3.28Å; E622-K625 IonicContact OE1-NZ 3.93Å; E622-K625 PolarHBondContact OE1-NZ 3.48Å; K625-R627 VanDerWaalsContact C-N 3.34Å; K625-R627 PolarHBondContact O-N 3.22Å; K625-L628 WeakPolarHBondContact O-CB 3.41Å; K625-L628 PolarHBondContact O-N 2.82Å; K625-L628 VanDerWaalsContact O-N 3.14Å; K625-M629 WeakPolarHBondContact O-CB 3.39Å; K625-M629 PolarHBondContact O-N 2.93Å
626	R	74.9	Confident	79.6	Confident	137 Å²	137	93.1 Å²	93.1	52%	0.517	43%	0.427	S	S	.	.	H	α-helix	trans	-58.1	-43.5	175.5	-72.8	164.1	174.9	-97	-9.2	111.9	E451 E622 H624 M630	E451-R626 IonicContact OE1-CZ 3.28Å; E451-R626 VanDerWaalsContact OE1-CZ 3.25Å; E451-R626 IonicContact OE1-NH1 2.65Å; E451-R626 PolarHBondContact OE1-NH1 3.49Å; E451-R626 IonicContact OE1-NH2 3.55Å; E451-R626 PolarHBondContact OE1-NH2 2.86Å; E622-R626 WeakPolarHBondContact O-CB 3.19Å; E622-R626 WeakPolarHBondContact O-CD 3.29Å; E622-R626 VanDerWaalsContact O-CG 3.23Å; E622-R626 WeakPolarHBondContact O-CG 3.36Å; E622-R626 PolarHBondContact O-N 2.69Å; H624-R626 PolarHBondContact O-N 2.97Å; R626-M630 WeakPolarHBondContact O-CB 3.3Å; R626-M630 VanDerWaalsContact O-CG 3.25Å; R626-M630 WeakPolarHBondContact O-CG 3.4Å; R626-M630 PolarHBondContact O-N 3.32Å
627	R	79.1	Confident	79.9	Confident	167 Å²	167	91.2 Å²	91.2	63%	0.63	42%	0.415	S	S	*	.	H	α-helix	trans	-65.2	-37.8	174.8	-74	170	-178.3	-175	2.3	112.7	Q623 H624 K625 R631	Q623-R627 WeakPolarHBondContact O-CB 2.97Å; Q623-R627 VanDerWaalsContact O-CG 3.23Å; Q623-R627 WeakPolarHBondContact O-CG 3.16Å; Q623-R627 PolarHBondContact O-N 3.2Å; H624-R627 PolarHBondContact O-N 3.33Å; K625-R627 VanDerWaalsContact C-N 3.34Å; K625-R627 PolarHBondContact O-N 3.22Å; R627-R631 VanDerWaalsContact O-CG 3.3Å; R627-R631 WeakPolarHBondContact O-CG 3.43Å; R627-R631 PolarHBondContact O-N 3.07Å; R627-R631 VanDerWaalsContact O-N 3.14Å
628	L	80.7	Confident	80.2	Confident	85 Å²	85	89 Å²	89	45%	0.445	41%	0.409	S	S	.	.	H	α-helix	trans	-67.3	-47.4	176.8	-170.2	73.1	0	0	0	110.9	H624 K625 M630 R631 I632	H624-L628 WeakPolarHBondContact O-CB 3.42Å; H624-L628 PolarHBondContact O-N 2.72Å; K625-L628 WeakPolarHBondContact O-CB 3.41Å; K625-L628 PolarHBondContact O-N 2.82Å; K625-L628 VanDerWaalsContact O-N 3.14Å; L628-M630 PolarHBondContact O-N 3.5Å; L628-R631 WeakPolarHBondContact O-CB 3.45Å; L628-R631 PolarHBondContact O-N 2.91Å; L628-R631 VanDerWaalsContact O-N 3.14Å; L628-I632 HydrophobicContact CD2-CD1 4.48Å; L628-I632 HydrophobicContact CG-CD1 4.02Å; L628-I632 WeakPolarHBondContact O-CG1 3.25Å; L628-I632 PolarHBondContact O-N 2.86Å
629	M	77.2	Confident	80.6	Confident	58 Å²	58	90 Å²	90	29%	0.286	42%	0.416	S	S	.	.	H	α-helix	trans	-58.8	-48.7	176.6	-168.9	177.2	-163.7	0	0	111.4	P450 V508 K625 R631 I632 E633	P450-M629 HydrophobicContact CB-CE 3.49Å; P450-M629 VanDerWaalsContact CB-CE 3.49Å; P450-M629 HydrophobicContact CB-SD 4.01Å; P450-M629 HydrophobicContact CG-CE 4.03Å; P450-M629 HydrophobicContact CG-SD 3.87Å; V508-M629 HydrophobicContact CG1-CE 3.72Å; K625-M629 WeakPolarHBondContact O-CB 3.39Å; K625-M629 PolarHBondContact O-N 2.93Å; M629-R631 VanDerWaalsContact C-N 3.26Å; M629-R631 PolarHBondContact O-N 2.86Å; M629-I632 PolarHBondContact O-N 2.78Å; M629-E633 HydrophobicContact CG-CG 4.46Å; M629-E633 WeakPolarHBondContact O-CG 3.45Å; M629-E633 PolarHBondContact O-N 2.81Å
630	M	78.4	Confident	81.1	Confident	113 Å²	113	85.3 Å²	85.3	56%	0.557	40%	0.395	S	S	*	.	H	α-helix	trans	-63.1	-27.7	176.9	-69.3	-62.3	-58.5	0	0	113.6	R626 L628 R634	R626-M630 WeakPolarHBondContact O-CB 3.3Å; R626-M630 VanDerWaalsContact O-CG 3.25Å; R626-M630 WeakPolarHBondContact O-CG 3.4Å; R626-M630 PolarHBondContact O-N 3.32Å; L628-M630 PolarHBondContact O-N 3.5Å; M630-R634 VanDerWaalsContact O-CB 3.28Å; M630-R634 WeakPolarHBondContact O-CB 3.48Å; M630-R634 PolarHBondContact O-N 2.8Å
631	R	82.9	Confident	81.6	Confident	145 Å²	145	83.4 Å²	83.4	55%	0.547	38%	0.382	S	S	.	.	H	α-helix	trans	-71.1	-52	170.6	-74	169.6	-178.8	-172.7	-1.2	110.6	R627 L628 M629 E633 R634 D635	R627-R631 VanDerWaalsContact O-CG 3.3Å; R627-R631 WeakPolarHBondContact O-CG 3.43Å; R627-R631 PolarHBondContact O-N 3.07Å; R627-R631 VanDerWaalsContact O-N 3.14Å; L628-R631 WeakPolarHBondContact O-CB 3.45Å; L628-R631 PolarHBondContact O-N 2.91Å; L628-R631 VanDerWaalsContact O-N 3.14Å; M629-R631 VanDerWaalsContact C-N 3.26Å; M629-R631 PolarHBondContact O-N 2.86Å; R631-E633 VanDerWaalsContact C-N 3.32Å; R631-E633 PolarHBondContact O-N 3.47Å; R631-R634 PolarHBondContact O-N 3.01Å; R631-R634 VanDerWaalsContact O-N 3.15Å; R631-D635 WeakPolarHBondContact O-CB 3.35Å; R631-D635 PolarHBondContact O-N 3.05Å
632	I	83.3	Confident	82.2	Confident	81 Å²	81	82.4 Å²	82.4	42%	0.415	38%	0.384	S	S	.	.	H	α-helix	trans	-55.6	-47.6	178.6	-66.8	165.3	0	0	0	110.5	W504 L628 M629 R634 D635 V636	W504-I632 HydrophobicContact CH2-CG2 4.38Å; L628-I632 HydrophobicContact CD2-CD1 4.48Å; L628-I632 HydrophobicContact CG-CD1 4.02Å; L628-I632 WeakPolarHBondContact O-CG1 3.25Å; L628-I632 PolarHBondContact O-N 2.86Å; M629-I632 PolarHBondContact O-N 2.78Å; I632-R634 PolarHBondContact O-N 3.5Å; I632-D635 PolarHBondContact O-N 2.72Å; I632-V636 HydrophobicContact CG2-CG2 4.3Å; I632-V636 VanDerWaalsContact O-CB 3.26Å; I632-V636 WeakPolarHBondContact O-CB 3.43Å; I632-V636 VanDerWaalsContact O-CG2 3.23Å; I632-V636 WeakPolarHBondContact O-CG2 3.43Å; I632-V636 PolarHBondContact O-N 2.94Å
633	E	81.8	Confident	82.7	Confident	15 Å²	15	85.1 Å²	85.1	7%	0.07	40%	0.4	C	S	.	.	H	α-helix	trans	-63.8	-39.5	178.6	-69.4	-165	158.2	0	0	113	P450 R456 M629 R631 F637	P450-E633 WeakPolarHBondContact CB-OE1 3.47Å; R456-E633 IonicContact CZ-OE1 3.69Å; R456-E633 IonicContact CZ-OE2 2.72Å; R456-E633 IonicContact NH1-OE1 3.47Å; R456-E633 PolarHBondContact NH1-OE1 2.81Å; R456-E633 IonicContact NH1-OE2 3.65Å; R456-E633 IonicContact NH2-OE1 3.87Å; R456-E633 PolarHBondContact NH2-OE1 3.05Å; R456-E633 IonicContact NH2-OE2 2.77Å; R456-E633 PolarHBondContact NH2-OE2 3.31Å; M629-E633 HydrophobicContact CG-CG 4.46Å; M629-E633 WeakPolarHBondContact O-CG 3.45Å; M629-E633 PolarHBondContact O-N 2.81Å; R631-E633 VanDerWaalsContact C-N 3.32Å; R631-E633 PolarHBondContact O-N 3.47Å; E633-F637 WeakPolarHBondContact O-CB 3.22Å; E633-F637 PolarHBondContact O-N 2.71Å
634	R	83.9	Confident	83.3	Confident	144 Å²	144	81.3 Å²	81.3	54%	0.543	38%	0.381	S	S	.	.	H	α-helix	trans	-66.6	-43.9	175.4	-178.7	-162	66	-176.5	-2.5	111.8	M630 R631 I632 V636 F637 V638	M630-R634 VanDerWaalsContact O-CB 3.28Å; M630-R634 WeakPolarHBondContact O-CB 3.48Å; M630-R634 PolarHBondContact O-N 2.8Å; R631-R634 PolarHBondContact O-N 3.01Å; R631-R634 VanDerWaalsContact O-N 3.15Å; I632-R634 PolarHBondContact O-N 3.5Å; R634-V636 VanDerWaalsContact C-N 3.35Å; R634-F637 WeakPolarHBondContact O-CB 3.43Å; R634-F637 PolarHBondContact O-N 3.07Å; R634-V638 WeakPolarHBondContact O-CG2 3.43Å; R634-V638 PolarHBondContact O-N 2.83Å
635	D	86.8	Confident	83.9	Confident	73 Å²	73	79.4 Å²	79.4	39%	0.39	38%	0.378	S	S	.	.	H	α-helix	trans	-73.9	-32.1	-174.9	-57.8	-14.7	0	0	0	110.2	R631 I632 S639	R631-D635 WeakPolarHBondContact O-CB 3.35Å; R631-D635 PolarHBondContact O-N 3.05Å; I632-D635 PolarHBondContact O-N 2.72Å; D635-S639 WeakPolarHBondContact O-CB 3.31Å; D635-S639 PolarHBondContact O-N 2.86Å; D635-S639 PolarHBondContact O-OG 3.41Å
636	V	85.4	Confident	84.6	Confident	31 Å²	31	80.7 Å²	80.7	19%	0.188	39%	0.387	C	S	.	.	H	α-helix	trans	-72.5	-39.1	168.5	171	0	0	0	0	112.2	W504 I632 R634 S639 F640	W504-V636 HydrophobicContact CD2-CG1 3.93Å; W504-V636 HydrophobicContact CE3-CG1 4.22Å; W504-V636 HydrophobicContact CH2-CB 4.34Å; W504-V636 HydrophobicContact CH2-CG1 4.06Å; W504-V636 HydrophobicContact CH2-CG2 3.77Å; W504-V636 HydrophobicContact CZ2-CB 4.07Å; W504-V636 HydrophobicContact CZ2-CG1 3.74Å; W504-V636 HydrophobicContact CZ2-CG2 3.98Å; W504-V636 HydrophobicContact CZ3-CG1 4.27Å; W504-V636 HydrophobicContact CZ3-CG2 4.35Å; I632-V636 HydrophobicContact CG2-CG2 4.3Å; I632-V636 VanDerWaalsContact O-CB 3.26Å; I632-V636 WeakPolarHBondContact O-CB 3.43Å; I632-V636 VanDerWaalsContact O-CG2 3.23Å; I632-V636 WeakPolarHBondContact O-CG2 3.43Å; I632-V636 PolarHBondContact O-N 2.94Å; R634-V636 VanDerWaalsContact C-N 3.35Å; V636-S639 CarbonylContact O-C 3.48Å; V636-S639 WeakPolarHBondContact O-CB 3.5Å; V636-S639 PolarHBondContact O-N 3.04Å; V636-S639 VanDerWaalsContact O-N 3.16Å; V636-F640 HydrophobicContact CG1-CD2 3.59Å; V636-F640 HydrophobicContact CG1-CE2 3.39Å; V636-F640 HydrophobicContact CG1-CZ 4.43Å; V636-F640 WeakPolarHBondContact O-CD2 3.3Å; V636-F640 PolarHBondContact O-N 3.02Å
637	F	87.7	Confident	85.2	Confident	69 Å²	69	75.5 Å²	75.5	30%	0.303	37%	0.374	S	S	.	.	H	α-helix	trans	-58.7	-46.9	171.9	167.1	-94.7	0	0	0	111.4	F443 F446 E633 R634 S639 F640 C641	F443-F637 HydrophobicContact CB-CE2 3.98Å; F443-F637 HydrophobicContact CD1-CD2 4.37Å; F443-F637 AromaticContact CD1-CE2 4Å; F443-F637 HydrophobicContact CD1-CE2 4Å; F443-F637 HydrophobicContact CG-CE2 4.33Å; F446-F637 HydrophobicContact CB-CD2 3.71Å; F446-F637 HydrophobicContact CB-CE2 4.32Å; F446-F637 HydrophobicContact CD1-CB 4.22Å; F446-F637 HydrophobicContact CD1-CD2 4.34Å; F446-F637 AromaticContact CD2-CD2 3.98Å; F446-F637 HydrophobicContact CD2-CD2 3.98Å; F446-F637 HydrophobicContact CG-CB 4.47Å; F446-F637 AromaticContact CG-CD2 3.76Å; F446-F637 HydrophobicContact CG-CD2 3.76Å; E633-F637 WeakPolarHBondContact O-CB 3.22Å; E633-F637 PolarHBondContact O-N 2.71Å; R634-F637 WeakPolarHBondContact O-CB 3.43Å; R634-F637 PolarHBondContact O-N 3.07Å; F637-S639 VanDerWaalsContact C-N 3.3Å; F637-S639 PolarHBondContact O-N 2.71Å; F637-F640 PolarHBondContact O-N 3.09Å; F637-C641 PolarHBondContact O-N 3.28Å; F637-C641 PolarHBondContact O-SG 2.81Å
638	V	86.8	Confident	85.6	Confident	67 Å²	67	68 Å²	68	41%	0.406	35%	0.346	S	S	.	.	H	α-helix	trans	-59.3	-42.7	173.5	169.1	0	0	0	0	110.8	R634 F640 C641 I642	R634-V638 WeakPolarHBondContact O-CG2 3.43Å; R634-V638 PolarHBondContact O-N 2.83Å; V638-F640 PolarHBondContact O-N 3.38Å; V638-C641 PolarHBondContact O-N 2.85Å; V638-I642 HydrophobicContact CG1-CD1 3.75Å; V638-I642 HydrophobicContact CG1-CG1 4.47Å; V638-I642 VanDerWaalsContact O-CG1 3.3Å; V638-I642 WeakPolarHBondContact O-CG1 3.26Å; V638-I642 PolarHBondContact O-N 3.37Å
639	S	87.1	Confident	86	Confident	62 Å²	62	68.7 Å²	68.7	43%	0.434	35%	0.35	S	S	.	.	H	α-helix	trans	-61.3	-42.9	176.2	-57.8	0	0	0	0	112.4	D635 V636 F637 I642 L643	D635-S639 WeakPolarHBondContact O-CB 3.31Å; D635-S639 PolarHBondContact O-N 2.86Å; D635-S639 PolarHBondContact O-OG 3.41Å; V636-S639 CarbonylContact O-C 3.48Å; V636-S639 WeakPolarHBondContact O-CB 3.5Å; V636-S639 PolarHBondContact O-N 3.04Å; V636-S639 VanDerWaalsContact O-N 3.16Å; F637-S639 VanDerWaalsContact C-N 3.3Å; F637-S639 PolarHBondContact O-N 2.71Å; S639-I642 PolarHBondContact O-N 3.21Å; S639-L643 WeakPolarHBondContact O-CB 3.43Å; S639-L643 VanDerWaalsContact O-CG 3.3Å; S639-L643 WeakPolarHBondContact O-CG 3.45Å; S639-L643 PolarHBondContact O-N 3.07Å
640	F	87.9	Confident	86.4	Confident	29 Å²	29	70.2 Å²	70.2	13%	0.127	36%	0.363	C	S	.	.	H	α-helix	trans	-66.3	-41.5	174.9	-80.1	-56.7	0	0	0	112.7	F443 F446 V500 V501 W504 V636 F637 V638 I642 L643 Y644	F443-F640 HydrophobicContact CE1-CB 4.2Å; F446-F640 AromaticContact CE1-CD2 3.98Å; F446-F640 HydrophobicContact CE1-CD2 3.98Å; F446-F640 HydrophobicContact CE1-CE2 4.29Å; F446-F640 AromaticContact CZ-CD2 3.54Å; F446-F640 HydrophobicContact CZ-CD2 3.54Å; F446-F640 AromaticContact CZ-CE2 3.93Å; F446-F640 HydrophobicContact CZ-CE2 3.93Å; F446-F640 HydrophobicContact CZ-CG 4.36Å; V500-F640 HydrophobicContact CG1-CE1 3.74Å; V500-F640 HydrophobicContact CG1-CZ 4.11Å; V501-F640 HydrophobicContact CG2-CD1 4.46Å; W504-F640 HydrophobicContact CB-CE2 4.01Å; W504-F640 HydrophobicContact CB-CZ 3.98Å; W504-F640 HydrophobicContact CD2-CE2 4.17Å; W504-F640 AromaticContact CG-CE2 3.79Å; W504-F640 HydrophobicContact CG-CE2 3.79Å; W504-F640 HydrophobicContact CG-CZ 4.22Å; V636-F640 HydrophobicContact CG1-CD2 3.59Å; V636-F640 HydrophobicContact CG1-CE2 3.39Å; V636-F640 HydrophobicContact CG1-CZ 4.43Å; V636-F640 WeakPolarHBondContact O-CD2 3.3Å; V636-F640 PolarHBondContact O-N 3.02Å; F637-F640 PolarHBondContact O-N 3.09Å; V638-F640 PolarHBondContact O-N 3.38Å; F640-I642 VanDerWaalsContact C-N 3.33Å; F640-I642 PolarHBondContact O-N 2.93Å; F640-L643 PolarHBondContact O-N 3.06Å; F640-Y644 WeakPolarHBondContact O-CB 3.22Å; F640-Y644 PolarHBondContact O-N 3.32Å
641	C	88.3	Confident	86.8	Confident	33 Å²	33	65.8 Å²	65.8	22%	0.223	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-42.1	174.2	-70.9	0	0	0	0	111.9	F443 F637 V638 V645	F443-C641 VanDerWaalsContact CD1-SG 3.58Å; F443-C641 HydrophobicContact CE1-CB 4.39Å; F443-C641 WeakPolarHBondContact CE1-SG 3.31Å; F637-C641 PolarHBondContact O-N 3.28Å; F637-C641 PolarHBondContact O-SG 2.81Å; V638-C641 PolarHBondContact O-N 2.85Å; C641-V645 WeakPolarHBondContact O-CG2 3.5Å; C641-V645 PolarHBondContact O-N 2.81Å
642	I	88.3	Confident	86.9	Confident	94 Å²	94	63.8 Å²	63.8	48%	0.482	34%	0.339	S	S	.	.	H	α-helix	trans	-66	-49.9	176.2	-69	165.9	0	0	0	110.6	V638 S639 F640 Y644 V645 L646	V638-I642 HydrophobicContact CG1-CD1 3.75Å; V638-I642 HydrophobicContact CG1-CG1 4.47Å; V638-I642 VanDerWaalsContact O-CG1 3.3Å; V638-I642 WeakPolarHBondContact O-CG1 3.26Å; V638-I642 PolarHBondContact O-N 3.37Å; S639-I642 PolarHBondContact O-N 3.21Å; F640-I642 VanDerWaalsContact C-N 3.33Å; F640-I642 PolarHBondContact O-N 2.93Å; I642-Y644 VanDerWaalsContact C-N 3.27Å; I642-Y644 PolarHBondContact O-N 2.94Å; I642-V645 PolarHBondContact O-N 2.64Å; I642-L646 HydrophobicContact CG2-CD1 3.78Å; I642-L646 HydrophobicContact CG2-CG 4.31Å; I642-L646 WeakPolarHBondContact O-CB 3.48Å; I642-L646 VanDerWaalsContact O-CG 3.28Å; I642-L646 WeakPolarHBondContact O-CG 3.38Å; I642-L646 PolarHBondContact O-N 3.36Å
643	L	87.1	Confident	87	Confident	105 Å²	105	66 Å²	66	55%	0.55	35%	0.346	S	S	.	.	H	α-helix	trans	-58.2	-40.1	177.8	-75.7	169.6	0	0	0	112	S639 F640 A647	S639-L643 WeakPolarHBondContact O-CB 3.43Å; S639-L643 VanDerWaalsContact O-CG 3.3Å; S639-L643 WeakPolarHBondContact O-CG 3.45Å; S639-L643 PolarHBondContact O-N 3.07Å; F640-L643 PolarHBondContact O-N 3.06Å; L643-A647 WeakPolarHBondContact O-CB 3.41Å; L643-A647 PolarHBondContact O-N 3.21Å
644	Y	89.9	Confident	87.1	Confident	12 Å²	12	69.8 Å²	69.8	5%	0.047	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-50.9	176.6	178.1	-100.5	0	0	0	112.8	F436 T439 G440 F443 I497 F640 I642 L646 A647 H648	F436-Y644 HydrophobicContact CD2-CE1 4.28Å; F436-Y644 AromaticContact CD2-CZ 3.95Å; F436-Y644 WeakPolarHBondContact CD2-OH 3.44Å; F436-Y644 AromaticContact CE2-CE1 3.65Å; F436-Y644 HydrophobicContact CE2-CE1 3.65Å; F436-Y644 AromaticContact CE2-CZ 3.8Å; F436-Y644 WeakPolarHBondContact CE2-OH 3.28Å; F436-Y644 HydrophobicContact CZ-CE1 4.2Å; F436-Y644 PolarHBondContact O-OH 2.87Å; T439-Y644 WeakPolarHBondContact OG1-CE2 3.37Å; T439-Y644 PolarHBondContact OG1-OH 2.87Å; G440-Y644 PolarHBondContact N-OH 2.6Å; F443-Y644 AromaticContact CE2-CD1 3.58Å; F443-Y644 HydrophobicContact CE2-CD1 3.58Å; F443-Y644 HydrophobicContact CE2-CD2 4.18Å; F443-Y644 AromaticContact CE2-CE1 3.85Å; F443-Y644 HydrophobicContact CE2-CE1 3.85Å; F443-Y644 HydrophobicContact CE2-CE2 4.42Å; F443-Y644 AromaticContact CE2-CG 3.76Å; F443-Y644 HydrophobicContact CE2-CG 3.76Å; F443-Y644 AromaticContact CZ-CD1 3.78Å; F443-Y644 HydrophobicContact CZ-CD1 3.78Å; F443-Y644 HydrophobicContact CZ-CD2 4.03Å; F443-Y644 HydrophobicContact CZ-CE1 4.46Å; F443-Y644 AromaticContact CZ-CG 3.53Å; F443-Y644 HydrophobicContact CZ-CG 3.53Å; I497-Y644 HydrophobicContact CD1-CD2 4.22Å; I497-Y644 HydrophobicContact CG2-CD2 4.46Å; F640-Y644 WeakPolarHBondContact O-CB 3.22Å; F640-Y644 PolarHBondContact O-N 3.32Å; I642-Y644 VanDerWaalsContact C-N 3.27Å; I642-Y644 PolarHBondContact O-N 2.94Å; Y644-L646 VanDerWaalsContact C-N 3.32Å; Y644-L646 PolarHBondContact O-N 3.11Å; Y644-A647 PolarHBondContact O-N 2.63Å; Y644-H648 AromaticContact CD1-CD2 3.98Å; Y644-H648 AromaticContact CD2-CD2 3.62Å; Y644-H648 AromaticContact CD2-NE2 3.69Å; Y644-H648 AromaticContact CE1-CD2 3.69Å; Y644-H648 AromaticContact CE2-CD2 3.28Å; Y644-H648 WeakPolarHBondContact CE2-CD2 3.43Å; Y644-H648 AromaticContact CE2-NE2 3.02Å; Y644-H648 WeakPolarHBondContact CE2-NE2 3.5Å; Y644-H648 AromaticContact CG-CD2 3.95Å; Y644-H648 AromaticContact CZ-CD2 3.34Å; Y644-H648 AromaticContact CZ-NE2 3.33Å; Y644-H648 VanDerWaalsContact CZ-NE2 3.33Å; Y644-H648 PolarHBondContact O-CD2 3.21Å; Y644-H648 VanDerWaalsContact O-CD2 3.3Å; Y644-H648 PolarHBondContact O-N 3Å
645	V	89.1	Confident	87.1	Confident	79 Å²	79	63.7 Å²	63.7	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-61.3	-43.5	177.1	170.1	0	0	0	0	110.3	C641 I642 A647 H648 L649	C641-V645 WeakPolarHBondContact O-CG2 3.5Å; C641-V645 PolarHBondContact O-N 2.81Å; I642-V645 PolarHBondContact O-N 2.64Å; V645-A647 PolarHBondContact O-N 3.37Å; V645-H648 PolarHBondContact O-N 3.26Å; V645-L649 HydrophobicContact CG1-CD1 3.74Å; V645-L649 HydrophobicContact CG1-CG 4.26Å; V645-L649 VanDerWaalsContact O-CB 3.3Å; V645-L649 WeakPolarHBondContact O-CB 3.39Å; V645-L649 WeakPolarHBondContact O-CG 3.44Å; V645-L649 PolarHBondContact O-N 2.97Å
646	L	90	Very high	86.8	Confident	95 Å²	95	66.8 Å²	66.8	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-42.2	174.9	-71.4	173.8	0	0	0	112.5	I642 Y644 L649 T650	I642-L646 HydrophobicContact CG2-CD1 3.78Å; I642-L646 HydrophobicContact CG2-CG 4.31Å; I642-L646 WeakPolarHBondContact O-CB 3.48Å; I642-L646 VanDerWaalsContact O-CG 3.28Å; I642-L646 WeakPolarHBondContact O-CG 3.38Å; I642-L646 PolarHBondContact O-N 3.36Å; Y644-L646 VanDerWaalsContact C-N 3.32Å; Y644-L646 PolarHBondContact O-N 3.11Å; L646-L649 PolarHBondContact O-N 3.21Å; L646-T650 WeakPolarHBondContact O-CB 3.35Å; L646-T650 WeakPolarHBondContact O-CG2 3.44Å; L646-T650 PolarHBondContact O-N 2.96Å; L646-T650 PolarHBondContact O-OG1 2.84Å
647	A	88.1	Confident	86.5	Confident	28 Å²	28	70 Å²	70	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-71.4	-33.8	-179.2	0	0	0	0	0	112.6	M493 I497 L643 Y644 V645 T650 F651	M493-A647 HydrophobicContact CE-CB 3.45Å; M493-A647 VanDerWaalsContact CE-CB 3.45Å; I497-A647 HydrophobicContact CD1-CB 4.24Å; L643-A647 WeakPolarHBondContact O-CB 3.41Å; L643-A647 PolarHBondContact O-N 3.21Å; Y644-A647 PolarHBondContact O-N 2.63Å; V645-A647 PolarHBondContact O-N 3.37Å; A647-T650 WeakPolarHBondContact CA-OG1 3.38Å; A647-T650 PolarHBondContact O-OG1 2.81Å; A647-F651 WeakPolarHBondContact O-CB 3.29Å; A647-F651 PolarHBondContact O-N 2.84Å; A647-F651 VanDerWaalsContact O-N 3.08Å
648	H	87.6	Confident	86	Confident	9 Å²	9	69.7 Å²	69.7	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-73.2	-39.2	170.6	-78.9	-64.3	0	0	0	112.7	Y490 Y644 V645 F651 I652	Y490-H648 AromaticContact CE2-CE1 3.57Å; Y490-H648 AromaticContact CE2-ND1 3.52Å; Y490-H648 AromaticContact CZ-CE1 3.65Å; Y490-H648 AromaticContact CZ-ND1 3.86Å; Y490-H648 PolarHBondContact OH-CE1 3.23Å; Y490-H648 PolarHBondContact OH-ND1 3.1Å; Y644-H648 AromaticContact CD1-CD2 3.98Å; Y644-H648 AromaticContact CD2-CD2 3.62Å; Y644-H648 AromaticContact CD2-NE2 3.69Å; Y644-H648 AromaticContact CE1-CD2 3.69Å; Y644-H648 AromaticContact CE2-CD2 3.28Å; Y644-H648 WeakPolarHBondContact CE2-CD2 3.43Å; Y644-H648 AromaticContact CE2-NE2 3.02Å; Y644-H648 WeakPolarHBondContact CE2-NE2 3.5Å; Y644-H648 AromaticContact CG-CD2 3.95Å; Y644-H648 AromaticContact CZ-CD2 3.34Å; Y644-H648 AromaticContact CZ-NE2 3.33Å; Y644-H648 VanDerWaalsContact CZ-NE2 3.33Å; Y644-H648 PolarHBondContact O-CD2 3.21Å; Y644-H648 VanDerWaalsContact O-CD2 3.3Å; Y644-H648 PolarHBondContact O-N 3Å; V645-H648 PolarHBondContact O-N 3.26Å; H648-F651 PolarHBondContact O-N 2.95Å; H648-I652 WeakPolarHBondContact O-CB 3.39Å; H648-I652 WeakPolarHBondContact O-CD1 3.22Å; H648-I652 WeakPolarHBondContact O-CG1 3.37Å; H648-I652 PolarHBondContact O-N 3.16Å
649	L	87.8	Confident	85.4	Confident	100 Å²	100	66.5 Å²	66.5	52%	0.524	34%	0.339	S	S	.	.	H	α-helix	trans	-65.5	-41.6	175.3	-74	173.8	0	0	0	112.1	V645 L646 I652 F653	V645-L649 HydrophobicContact CG1-CD1 3.74Å; V645-L649 HydrophobicContact CG1-CG 4.26Å; V645-L649 VanDerWaalsContact O-CB 3.3Å; V645-L649 WeakPolarHBondContact O-CB 3.39Å; V645-L649 WeakPolarHBondContact O-CG 3.44Å; V645-L649 PolarHBondContact O-N 2.97Å; L646-L649 PolarHBondContact O-N 3.21Å; L649-I652 PolarHBondContact O-N 2.99Å; L649-F653 VanDerWaalsContact O-CB 3.22Å; L649-F653 WeakPolarHBondContact O-CB 3.44Å; L649-F653 PolarHBondContact O-N 3.23Å
650	T	87.1	Confident	85	Confident	91 Å²	91	64.5 Å²	64.5	56%	0.558	33%	0.325	S	S	*	.	H	α-helix	trans	-66.5	-37.6	174.5	52.6	0	0	0	0	111.7	L646 A647 W654	L646-T650 WeakPolarHBondContact O-CB 3.35Å; L646-T650 WeakPolarHBondContact O-CG2 3.44Å; L646-T650 PolarHBondContact O-N 2.96Å; L646-T650 PolarHBondContact O-OG1 2.84Å; A647-T650 WeakPolarHBondContact CA-OG1 3.38Å; A647-T650 PolarHBondContact O-OG1 2.81Å; T650-W654 VanDerWaalsContact O-CB 3.22Å; T650-W654 WeakPolarHBondContact O-CB 3.32Å; T650-W654 PolarHBondContact O-N 3.17Å
651	F	86	Confident	84.8	Confident	19 Å²	19	68.3 Å²	68.3	8%	0.083	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-46.7	172.8	-177.5	-96.5	0	0	0	112.6	F432 Y490 A647 H648 F653 W654 L655	F432-F651 AromaticContact CD1-CE1 3.9Å; F432-F651 HydrophobicContact CD1-CE1 3.9Å; F432-F651 HydrophobicContact CD1-CZ 4.41Å; F432-F651 AromaticContact CE1-CE1 3.52Å; F432-F651 HydrophobicContact CE1-CE1 3.52Å; F432-F651 AromaticContact CE1-CZ 3.6Å; F432-F651 HydrophobicContact CE1-CZ 3.6Å; F432-F651 HydrophobicContact CZ-CE1 4.38Å; F432-F651 HydrophobicContact CZ-CZ 4.28Å; Y490-F651 HydrophobicContact CD2-CB 4.49Å; Y490-F651 AromaticContact CD2-CD1 3.33Å; Y490-F651 HydrophobicContact CD2-CD1 3.33Å; Y490-F651 AromaticContact CD2-CD2 3.9Å; Y490-F651 HydrophobicContact CD2-CD2 3.9Å; Y490-F651 AromaticContact CD2-CE1 3.39Å; Y490-F651 HydrophobicContact CD2-CE1 3.39Å; Y490-F651 AromaticContact CD2-CE2 3.96Å; Y490-F651 HydrophobicContact CD2-CE2 3.96Å; Y490-F651 AromaticContact CD2-CG 3.61Å; Y490-F651 HydrophobicContact CD2-CG 3.61Å; Y490-F651 AromaticContact CD2-CZ 3.73Å; Y490-F651 HydrophobicContact CD2-CZ 3.73Å; Y490-F651 AromaticContact CE2-CD1 3.61Å; Y490-F651 HydrophobicContact CE2-CD1 3.61Å; Y490-F651 AromaticContact CE2-CE1 3.93Å; Y490-F651 HydrophobicContact CE2-CE1 3.93Å; Y490-F651 HydrophobicContact CE2-CG 4.09Å; Y490-F651 HydrophobicContact CG-CD1 4.3Å; Y490-F651 AromaticContact CG-CE1 3.92Å; Y490-F651 HydrophobicContact CG-CE1 3.92Å; Y490-F651 HydrophobicContact CG-CE2 4.32Å; Y490-F651 AromaticContact CG-CZ 3.95Å; Y490-F651 HydrophobicContact CG-CZ 3.95Å; A647-F651 WeakPolarHBondContact O-CB 3.29Å; A647-F651 PolarHBondContact O-N 2.84Å; A647-F651 VanDerWaalsContact O-N 3.08Å; H648-F651 PolarHBondContact O-N 2.95Å; F651-F653 VanDerWaalsContact C-N 3.34Å; F651-F653 PolarHBondContact O-N 2.74Å; F651-W654 HydrophobicContact CD2-CE3 4.15Å; F651-W654 HydrophobicContact CE2-CE3 4.11Å; F651-W654 HydrophobicContact CE2-CZ3 4.24Å; F651-W654 PolarHBondContact O-N 2.85Å; F651-L655 HydrophobicContact CE1-CB 4.26Å; F651-L655 HydrophobicContact CE1-CD1 3.53Å; F651-L655 HydrophobicContact CZ-CB 4.39Å; F651-L655 HydrophobicContact CZ-CD1 3.72Å; F651-L655 VanDerWaalsContact O-CB 3.22Å; F651-L655 WeakPolarHBondContact O-CB 3.4Å; F651-L655 PolarHBondContact O-N 3.45Å
652	I	85.5	Confident	84.3	Confident	104 Å²	104	69.5 Å²	69.5	53%	0.533	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-44.2	177.2	-70.4	162.7	0	0	0	110.5	H648 L649 Y656	H648-I652 WeakPolarHBondContact O-CB 3.39Å; H648-I652 WeakPolarHBondContact O-CD1 3.22Å; H648-I652 WeakPolarHBondContact O-CG1 3.37Å; H648-I652 PolarHBondContact O-N 3.16Å; L649-I652 PolarHBondContact O-N 2.99Å; I652-Y656 VanDerWaalsContact O-CB 3.3Å; I652-Y656 WeakPolarHBondContact O-CB 3.37Å; I652-Y656 PolarHBondContact O-N 2.86Å
653	F	85.6	Confident	83.9	Confident	128 Å²	128	67.2 Å²	67.2	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-59.9	-47.5	174.9	179.8	-85.6	0	0	0	111.3	L649 F651 Y656 F657	L649-F653 VanDerWaalsContact O-CB 3.22Å; L649-F653 WeakPolarHBondContact O-CB 3.44Å; L649-F653 PolarHBondContact O-N 3.23Å; F651-F653 VanDerWaalsContact C-N 3.34Å; F651-F653 PolarHBondContact O-N 2.74Å; F653-Y656 PolarHBondContact O-N 2.7Å; F653-F657 HydrophobicContact CD1-CD2 4.01Å; F653-F657 AromaticContact CD2-CD2 3.74Å; F653-F657 HydrophobicContact CD2-CD2 3.74Å; F653-F657 AromaticContact CD2-CE2 3.73Å; F653-F657 HydrophobicContact CD2-CE2 3.73Å; F653-F657 HydrophobicContact CE1-CB 4.44Å; F653-F657 AromaticContact CE1-CD2 3.76Å; F653-F657 HydrophobicContact CE1-CD2 3.76Å; F653-F657 HydrophobicContact CE1-CE2 4.34Å; F653-F657 HydrophobicContact CE1-CG 4.18Å; F653-F657 AromaticContact CE2-CD2 3.49Å; F653-F657 HydrophobicContact CE2-CD2 3.49Å; F653-F657 VanDerWaalsContact CE2-CD2 3.49Å; F653-F657 AromaticContact CE2-CE2 3.26Å; F653-F657 HydrophobicContact CE2-CE2 3.26Å; F653-F657 HydrophobicContact CE2-CZ 4.13Å; F653-F657 AromaticContact CG-CD2 3.99Å; F653-F657 HydrophobicContact CG-CD2 3.99Å; F653-F657 HydrophobicContact CG-CE2 4.45Å; F653-F657 AromaticContact CZ-CD2 3.5Å; F653-F657 HydrophobicContact CZ-CD2 3.5Å; F653-F657 VanDerWaalsContact CZ-CD2 3.5Å; F653-F657 AromaticContact CZ-CE2 3.61Å; F653-F657 HydrophobicContact CZ-CE2 3.61Å; F653-F657 HydrophobicContact CZ-CG 4.11Å; F653-F657 HydrophobicContact CZ-CZ 4.29Å; F653-F657 WeakPolarHBondContact O-CB 3.49Å; F653-F657 WeakPolarHBondContact O-CD2 3.31Å; F653-F657 PolarHBondContact O-N 3.27Å
654	W	83.5	Confident	83.8	Confident	93 Å²	93	67.4 Å²	67.4	35%	0.352	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-43.1	-179.3	-176.5	53.9	0	0	0	112.3	Y486 K489 T650 F651 Y656 F657 D658	Y486-W654 HydrophobicContact CD1-CE3 4.44Å; Y486-W654 AromaticContact CD1-CH2 3.29Å; Y486-W654 HydrophobicContact CD1-CH2 3.29Å; Y486-W654 AromaticContact CD1-CZ2 3.9Å; Y486-W654 HydrophobicContact CD1-CZ2 3.9Å; Y486-W654 AromaticContact CD1-CZ3 3.59Å; Y486-W654 HydrophobicContact CD1-CZ3 3.59Å; Y486-W654 AromaticContact CE1-CH2 3.33Å; Y486-W654 HydrophobicContact CE1-CH2 3.33Å; Y486-W654 AromaticContact CE1-CZ2 3.41Å; Y486-W654 HydrophobicContact CE1-CZ2 3.41Å; Y486-W654 VanDerWaalsContact CE1-CZ2 3.41Å; Y486-W654 AromaticContact CE1-CZ3 3.99Å; Y486-W654 HydrophobicContact CE1-CZ3 3.99Å; K489-W654 HydrophobicContact CB-CZ3 4.43Å; K489-W654 HydrophobicContact CD-CH2 3.57Å; K489-W654 HydrophobicContact CD-CZ3 4.05Å; T650-W654 VanDerWaalsContact O-CB 3.22Å; T650-W654 WeakPolarHBondContact O-CB 3.32Å; T650-W654 PolarHBondContact O-N 3.17Å; F651-W654 HydrophobicContact CD2-CE3 4.15Å; F651-W654 HydrophobicContact CE2-CE3 4.11Å; F651-W654 HydrophobicContact CE2-CZ3 4.24Å; F651-W654 PolarHBondContact O-N 2.85Å; W654-Y656 VanDerWaalsContact C-N 3.31Å; W654-Y656 PolarHBondContact O-N 2.91Å; W654-F657 PolarHBondContact O-N 2.61Å; W654-D658 HydrophobicContact CG-CB 4.42Å; W654-D658 PolarHBondContact NE1-OD2 2.77Å; W654-D658 WeakPolarHBondContact O-CA 3.33Å; W654-D658 VanDerWaalsContact O-CB 3.23Å; W654-D658 WeakPolarHBondContact O-CB 3.49Å; W654-D658 PolarHBondContact O-N 3.03Å
655	L	82.5	Confident	83.5	Confident	16 Å²	16	70.4 Å²	70.4	8%	0.084	34%	0.335	C	S	.	.	I	π-helix	trans	-62.7	-35.9	173.9	178.7	150.9	0	0	0	112.2	L346 Y428 F432 F651 A659 S660	L346-L655 HydrophobicContact CD1-CD1 4.08Å; L346-L655 HydrophobicContact CD1-CD2 3.67Å; L346-L655 HydrophobicContact CD1-CG 3.53Å; Y428-L655 HydrophobicContact CE1-CD1 4.35Å; Y428-L655 HydrophobicContact CE1-CD2 4.03Å; Y428-L655 WeakPolarHBondContact OH-CD2 3.29Å; F432-L655 HydrophobicContact CE1-CD1 4.24Å; F432-L655 HydrophobicContact CE2-CD1 4.38Å; F432-L655 HydrophobicContact CZ-CD1 3.94Å; F651-L655 HydrophobicContact CE1-CB 4.26Å; F651-L655 HydrophobicContact CE1-CD1 3.53Å; F651-L655 HydrophobicContact CZ-CB 4.39Å; F651-L655 HydrophobicContact CZ-CD1 3.72Å; F651-L655 VanDerWaalsContact O-CB 3.22Å; F651-L655 WeakPolarHBondContact O-CB 3.4Å; F651-L655 PolarHBondContact O-N 3.45Å; L655-A659 WeakPolarHBondContact O-CB 3.38Å; L655-S660 PolarHBondContact O-N 2.86Å; L655-S660 PolarHBondContact O-OG 2.88Å
656	Y	80.8	Confident	83.2	Confident	138 Å²	138	67 Å²	67	54%	0.541	31%	0.314	S	S	.	.	I	π-helix	trans	-74.6	-38.4	174.6	-178.7	-100.3	0	0	0	113.1	I652 F653 W654 S660	I652-Y656 VanDerWaalsContact O-CB 3.3Å; I652-Y656 WeakPolarHBondContact O-CB 3.37Å; I652-Y656 PolarHBondContact O-N 2.86Å; F653-Y656 PolarHBondContact O-N 2.7Å; W654-Y656 VanDerWaalsContact C-N 3.31Å; W654-Y656 PolarHBondContact O-N 2.91Å; Y656-S660 VanDerWaalsContact O-CB 3.29Å; Y656-S660 WeakPolarHBondContact O-CB 3.47Å
657	F	79.3	Confident	82.9	Confident	98 Å²	98	65.4 Å²	65.4	43%	0.43	31%	0.308	S	S	.	.	I	π-helix	trans	-85.6	-44.9	-176.8	-88.1	-85.3	0	0	0	113.9	F653 W654 K661 R664	F653-F657 HydrophobicContact CD1-CD2 4.01Å; F653-F657 AromaticContact CD2-CD2 3.74Å; F653-F657 HydrophobicContact CD2-CD2 3.74Å; F653-F657 AromaticContact CD2-CE2 3.73Å; F653-F657 HydrophobicContact CD2-CE2 3.73Å; F653-F657 HydrophobicContact CE1-CB 4.44Å; F653-F657 AromaticContact CE1-CD2 3.76Å; F653-F657 HydrophobicContact CE1-CD2 3.76Å; F653-F657 HydrophobicContact CE1-CE2 4.34Å; F653-F657 HydrophobicContact CE1-CG 4.18Å; F653-F657 AromaticContact CE2-CD2 3.49Å; F653-F657 HydrophobicContact CE2-CD2 3.49Å; F653-F657 VanDerWaalsContact CE2-CD2 3.49Å; F653-F657 AromaticContact CE2-CE2 3.26Å; F653-F657 HydrophobicContact CE2-CE2 3.26Å; F653-F657 HydrophobicContact CE2-CZ 4.13Å; F653-F657 AromaticContact CG-CD2 3.99Å; F653-F657 HydrophobicContact CG-CD2 3.99Å; F653-F657 HydrophobicContact CG-CE2 4.45Å; F653-F657 AromaticContact CZ-CD2 3.5Å; F653-F657 HydrophobicContact CZ-CD2 3.5Å; F653-F657 VanDerWaalsContact CZ-CD2 3.5Å; F653-F657 AromaticContact CZ-CE2 3.61Å; F653-F657 HydrophobicContact CZ-CE2 3.61Å; F653-F657 HydrophobicContact CZ-CG 4.11Å; F653-F657 HydrophobicContact CZ-CZ 4.29Å; F653-F657 WeakPolarHBondContact O-CB 3.49Å; F653-F657 WeakPolarHBondContact O-CD2 3.31Å; F653-F657 PolarHBondContact O-N 3.27Å; W654-F657 PolarHBondContact O-N 2.61Å; F657-K661 WeakPolarHBondContact O-CB 3.27Å; F657-R664 PolarHBondContact O-NH2 3.42Å
658	D	78.5	Confident	82.9	Confident	64 Å²	64	69.7 Å²	69.7	34%	0.342	32%	0.323	S	S	.	.	I	π-helix	trans	-89	-63.4	-173.4	-159.6	38.1	0	0	0	110.5	Y486 W654 S660 K661	Y486-D658 VanDerWaalsContact OH-CG 3.27Å; Y486-D658 PolarHBondContact OH-OD2 3.07Å; W654-D658 HydrophobicContact CG-CB 4.42Å; W654-D658 PolarHBondContact NE1-OD2 2.77Å; W654-D658 WeakPolarHBondContact O-CA 3.33Å; W654-D658 VanDerWaalsContact O-CB 3.23Å; W654-D658 WeakPolarHBondContact O-CB 3.49Å; W654-D658 PolarHBondContact O-N 3.03Å; D658-S660 VanDerWaalsContact C-N 3.27Å; D658-S660 PolarHBondContact O-N 3.25Å; D658-K661 WeakPolarHBondContact O-CA 3.29Å; D658-K661 WeakPolarHBondContact O-CB 3.34Å; D658-K661 PolarHBondContact O-N 3.02Å
659	A	73.1	Confident	82.7	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.337	C	S	.	.	I	π-helix	trans	-64.1	-29.3	-177.3	0	0	0	0	0	113.9	L346 Y486 L655	L346-A659 HydrophobicContact CB-CB 3.93Å; L346-A659 HydrophobicContact CD1-CB 3.55Å; L346-A659 HydrophobicContact CG-CB 4.4Å; Y486-A659 HydrophobicContact CD2-CB 3.36Å; Y486-A659 HydrophobicContact CE2-CB 3.2Å; Y486-A659 HydrophobicContact CG-CB 4.33Å; L655-A659 WeakPolarHBondContact O-CB 3.38Å
660	S	78.6	Confident	82.5	Confident	20 Å²	20	70 Å²	70	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-91.5	8.6	172.8	-45.7	0	0	0	0	113.5	L655 Y656 D658 R664	L655-S660 PolarHBondContact O-N 2.86Å; L655-S660 PolarHBondContact O-OG 2.88Å; Y656-S660 VanDerWaalsContact O-CB 3.29Å; Y656-S660 WeakPolarHBondContact O-CB 3.47Å; D658-S660 VanDerWaalsContact C-N 3.27Å; D658-S660 PolarHBondContact O-N 3.25Å; S660-R664 WeakPolarHBondContact O-CG 3.42Å; S660-R664 PolarHBondContact O-N 2.73Å; S660-R664 PolarHBondContact O-NE 3.16Å
661	K	83.2	Confident	82.4	Confident	108 Å²	108	73.2 Å²	73.2	47%	0.47	32%	0.32	S	S	.	.	H	α-helix	trans	-67.6	-58.5	170.7	-173.7	-178.6	166.8	-172.1	0	111	F657 D658 R663 R664 E665	F657-K661 WeakPolarHBondContact O-CB 3.27Å; D658-K661 WeakPolarHBondContact O-CA 3.29Å; D658-K661 WeakPolarHBondContact O-CB 3.34Å; D658-K661 PolarHBondContact O-N 3.02Å; K661-R663 PolarHBondContact O-N 3.35Å; K661-R663 VanDerWaalsContact O-N 3.16Å; K661-R664 PolarHBondContact O-N 3.39Å; K661-E665 WeakPolarHBondContact CE-OE1 3.23Å; K661-E665 WeakPolarHBondContact CG-OE1 3.22Å; K661-E665 PolarHBondContact O-N 3.15Å
662	R	77.8	Confident	82.5	Confident	59 Å²	59	77.1 Å²	77.1	22%	0.223	34%	0.341	C	S	.	.	H	α-helix	trans	-50.3	-44.5	178.5	-71.8	-148.9	-102.4	-170	-13.6	111.4	E340 D343 R664 E665 M666	E340-R662 IonicContact OE2-CZ 3.63Å; E340-R662 IonicContact OE2-NH1 3.46Å; E340-R662 PolarHBondContact OE2-NH1 2.94Å; E340-R662 IonicContact OE2-NH2 3.97Å; D343-R662 IonicContact OD1-CZ 3.2Å; D343-R662 IonicContact OD1-NE 3.56Å; D343-R662 IonicContact OD1-NH2 3.69Å; D343-R662 PolarHBondContact OD1-NH2 3.03Å; D343-R662 IonicContact OD2-CZ 2.69Å; D343-R662 IonicContact OD2-NE 2.63Å; D343-R662 PolarHBondContact OD2-NE 3Å; D343-R662 IonicContact OD2-NH2 3.7Å; D343-R662 PolarHBondContact OD2-NH2 2.86Å; R662-R664 PolarHBondContact O-N 2.76Å; R662-E665 WeakPolarHBondContact O-CB 3.37Å; R662-E665 PolarHBondContact O-N 2.73Å; R662-M666 WeakPolarHBondContact O-CG 3.23Å; R662-M666 PolarHBondContact O-N 2.88Å
663	R	81.1	Confident	82.3	Confident	45 Å²	45	74.2 Å²	74.2	17%	0.17	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-39.9	178	-67.7	177.8	172.8	-111.2	-17.2	114.1	L346 D347 V348 R422 K661 V667	L346-R663 VanDerWaalsContact C-NE 3.33Å; L346-R663 PolarHBondContact O-NE 3.01Å; L346-R663 PolarHBondContact O-NH2 3.01Å; D347-R663 PolarHBondContact O-NH2 2.93Å; V348-R663 HydrophobicContact CG2-CG 4.01Å; R422-R663 PolarHBondContact O-NH1 2.7Å; R422-R663 PolarHBondContact O-NH2 3.46Å; K661-R663 PolarHBondContact O-N 3.35Å; K661-R663 VanDerWaalsContact O-N 3.16Å; R663-V667 WeakPolarHBondContact O-CG2 3.1Å; R663-V667 PolarHBondContact O-N 2.93Å; R663-V667 VanDerWaalsContact O-N 3.11Å
664	R	83.7	Confident	82.2	Confident	110 Å²	110	72.2 Å²	72.2	42%	0.415	32%	0.315	S	S	.	.	H	α-helix	trans	-67.9	-41.2	176	-75.6	176.3	-71.5	170.4	0.3	111.1	F657 S660 K661 R662 V667 E668	F657-R664 PolarHBondContact O-NH2 3.42Å; S660-R664 WeakPolarHBondContact O-CG 3.42Å; S660-R664 PolarHBondContact O-N 2.73Å; S660-R664 PolarHBondContact O-NE 3.16Å; K661-R664 PolarHBondContact O-N 3.39Å; R662-R664 PolarHBondContact O-N 2.76Å; R664-V667 PolarHBondContact O-N 2.88Å; R664-E668 PolarHBondContact O-N 3.09Å
665	E	85	Confident	82.3	Confident	75 Å²	75	74.3 Å²	74.3	35%	0.35	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-41.9	175.7	-65.7	169.5	172.5	0	0	111.7	K661 R662 E668 R669	K661-E665 WeakPolarHBondContact CE-OE1 3.23Å; K661-E665 WeakPolarHBondContact CG-OE1 3.22Å; K661-E665 PolarHBondContact O-N 3.15Å; R662-E665 WeakPolarHBondContact O-CB 3.37Å; R662-E665 PolarHBondContact O-N 2.73Å; E665-E668 PolarHBondContact O-N 3.46Å; E665-R669 WeakPolarHBondContact O-CG 3.42Å; E665-R669 PolarHBondContact O-N 2.77Å
666	M	82.5	Confident	82.3	Confident	8 Å²	8	76.6 Å²	76.6	4%	0.039	34%	0.344	C	S	.	.	H	α-helix	trans	-67.3	-38.3	175.7	-60.4	-47	177.1	0	0	113.1	V348 R419 R662 E668 R669 D670	V348-M666 HydrophobicContact CG1-CG 4.2Å; V348-M666 HydrophobicContact CG2-CG 4.37Å; R419-M666 VanDerWaalsContact CD-SD 3.5Å; R662-M666 WeakPolarHBondContact O-CG 3.23Å; R662-M666 PolarHBondContact O-N 2.88Å; M666-E668 VanDerWaalsContact C-N 3.25Å; M666-E668 PolarHBondContact O-N 2.89Å; M666-R669 PolarHBondContact O-N 3Å; M666-D670 PolarHBondContact O-N 3.26Å
667	V	83.1	Confident	82.1	Confident	61 Å²	61	72.1 Å²	72.1	37%	0.37	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-29.9	173.2	169.1	0	0	0	0	111.6	R663 R664 R671	R663-V667 WeakPolarHBondContact O-CG2 3.1Å; R663-V667 PolarHBondContact O-N 2.93Å; R663-V667 VanDerWaalsContact O-N 3.11Å; R664-V667 PolarHBondContact O-N 2.88Å; V667-R671 WeakPolarHBondContact O-CD 3.44Å; V667-R671 VanDerWaalsContact O-CG 3.26Å; V667-R671 WeakPolarHBondContact O-CG 3.43Å; V667-R671 PolarHBondContact O-N 3.42Å
668	E	87.8	Confident	82.1	Confident	117 Å²	117	73.3 Å²	73.3	55%	0.547	34%	0.335	S	S	.	.	H	α-helix	trans	-73	-42.5	171.3	-174.6	156.5	-147.1	0	0	112.3	R664 E665 M666 D670 R671 L672	R664-E668 PolarHBondContact O-N 3.09Å; E665-E668 PolarHBondContact O-N 3.46Å; M666-E668 VanDerWaalsContact C-N 3.25Å; M666-E668 PolarHBondContact O-N 2.89Å; E668-D670 VanDerWaalsContact C-N 3.34Å; E668-D670 PolarHBondContact O-N 3.01Å; E668-R671 WeakPolarHBondContact O-CB 3.39Å; E668-R671 PolarHBondContact O-N 3.19Å; E668-R671 VanDerWaalsContact O-N 3.09Å; E668-L672 HydrophobicContact CG-CD1 4.43Å; E668-L672 WeakPolarHBondContact O-CG 3.29Å; E668-L672 PolarHBondContact O-N 2.77Å
669	R	84.8	Confident	82.3	Confident	93 Å²	93	72.9 Å²	72.9	35%	0.351	34%	0.341	S	S	.	.	H	α-helix	trans	-57.8	-43	172.3	-69.9	177.7	-170.7	-166	2.1	112.3	E394 E665 M666 R671 L672 Y673	E394-R669 IonicContact OE2-NH1 3.61Å; E394-R669 PolarHBondContact OE2-NH1 3.37Å; E665-R669 WeakPolarHBondContact O-CG 3.42Å; E665-R669 PolarHBondContact O-N 2.77Å; M666-R669 PolarHBondContact O-N 3Å; R669-R671 VanDerWaalsContact C-N 3.33Å; R669-R671 PolarHBondContact O-N 2.68Å; R669-L672 PolarHBondContact O-N 2.86Å; R669-Y673 WeakPolarHBondContact O-CB 3.44Å; R669-Y673 PolarHBondContact O-N 3.11Å
670	D	82.5	Confident	82.4	Confident	22 Å²	22	77.1 Å²	77.1	12%	0.118	37%	0.37	C	S	.	.	H	α-helix	trans	-59.5	-41.2	173.2	-83.8	-15.8	0	0	0	112.5	H390 E391 H392 M666 E668 L672 Y673 K674	H390-D670 WeakPolarHBondContact CB-OD1 3.19Å; H390-D670 IonicContact CE1-OD2 2.78Å; H390-D670 IonicContact CG-OD2 3.75Å; H390-D670 IonicContact ND1-OD1 2.72Å; H390-D670 IonicContact ND1-OD2 3.4Å; H390-D670 PolarHBondContact ND1-OD2 3.11Å; E391-D670 PolarHBondContact N-OD1 3.45Å; H392-D670 IonicContact CE1-OD1 2.74Å; H392-D670 IonicContact CG-OD1 2.7Å; H392-D670 PolarHBondContact N-OD1 3.36Å; H392-D670 VanDerWaalsContact N-OD1 3.14Å; H392-D670 IonicContact ND1-OD1 3.35Å; H392-D670 PolarHBondContact ND1-OD1 3.32Å; M666-D670 PolarHBondContact O-N 3.26Å; E668-D670 VanDerWaalsContact C-N 3.34Å; E668-D670 PolarHBondContact O-N 3.01Å; D670-L672 VanDerWaalsContact C-N 3.34Å; D670-Y673 PolarHBondContact O-N 2.98Å; D670-K674 WeakPolarHBondContact O-CB 3.47Å; D670-K674 VanDerWaalsContact O-CG 3.28Å; D670-K674 WeakPolarHBondContact O-CG 3.47Å; D670-K674 PolarHBondContact O-N 3.48Å
671	R	85.5	Confident	82.2	Confident	159 Å²	159	84 Å²	84	60%	0.6	40%	0.398	S	S	*	.	H	α-helix	trans	-66	-37.2	176.9	-70.6	163.5	178.8	179.8	-0.9	111.7	V667 E668 R669 K675	V667-R671 WeakPolarHBondContact O-CD 3.44Å; V667-R671 VanDerWaalsContact O-CG 3.26Å; V667-R671 WeakPolarHBondContact O-CG 3.43Å; V667-R671 PolarHBondContact O-N 3.42Å; E668-R671 WeakPolarHBondContact O-CB 3.39Å; E668-R671 PolarHBondContact O-N 3.19Å; E668-R671 VanDerWaalsContact O-N 3.09Å; R669-R671 VanDerWaalsContact C-N 3.33Å; R669-R671 PolarHBondContact O-N 2.68Å; R671-K675 VanDerWaalsContact O-CG 3.29Å; R671-K675 WeakPolarHBondContact O-CG 3.39Å; R671-K675 PolarHBondContact O-N 2.93Å; R671-K675 VanDerWaalsContact O-N 3.14Å
672	L	87.8	Confident	81.8	Confident	101 Å²	101	86.2 Å²	86.2	53%	0.529	41%	0.413	S	S	.	.	H	α-helix	trans	-70.1	-43.5	175.7	-66.7	172.7	0	0	0	111.5	E668 R669 D670 K675 S676	E668-L672 HydrophobicContact CG-CD1 4.43Å; E668-L672 WeakPolarHBondContact O-CG 3.29Å; E668-L672 PolarHBondContact O-N 2.77Å; R669-L672 PolarHBondContact O-N 2.86Å; D670-L672 VanDerWaalsContact C-N 3.34Å; L672-K675 WeakPolarHBondContact O-CB 2.9Å; L672-K675 PolarHBondContact O-N 2.7Å; L672-S676 PolarHBondContact O-N 3.22Å; L672-S676 PolarHBondContact O-OG 2.82Å
673	Y	82.6	Confident	81	Confident	44 Å²	44	93 Å²	93	17%	0.173	45%	0.452	C	S	.	.	H	α-helix	trans	-61.6	-42.7	174.8	-178	-100.1	0	0	0	111.9	E391 H392 R669 D670 K675 S676 M677	E391-Y673 HydrophobicContact CB-CD1 4.17Å; E391-Y673 HydrophobicContact CB-CE1 4.37Å; E391-Y673 WeakPolarHBondContact O-CE1 3.41Å; H392-Y673 HydrophobicContact CB-CD1 4.35Å; H392-Y673 HydrophobicContact CB-CD2 4.1Å; H392-Y673 HydrophobicContact CB-CG 3.81Å; R669-Y673 WeakPolarHBondContact O-CB 3.44Å; R669-Y673 PolarHBondContact O-N 3.11Å; D670-Y673 PolarHBondContact O-N 2.98Å; Y673-K675 VanDerWaalsContact C-N 3.35Å; Y673-K675 PolarHBondContact O-N 3.4Å; Y673-S676 PolarHBondContact O-N 3.43Å; Y673-S676 PolarHBondContact O-OG 3.13Å; Y673-M677 HydrophobicContact CD1-CG 4.11Å; Y673-M677 HydrophobicContact CD2-CG 4.37Å; Y673-M677 HydrophobicContact CE1-CE 4.45Å; Y673-M677 HydrophobicContact CE1-CG 3.74Å; Y673-M677 HydrophobicContact CE2-CG 4.04Å; Y673-M677 HydrophobicContact CE2-SD 4.43Å; Y673-M677 HydrophobicContact CG-CG 4.4Å; Y673-M677 VanDerWaalsContact O-CB 3.31Å; Y673-M677 WeakPolarHBondContact O-CB 3.29Å; Y673-M677 VanDerWaalsContact O-CG 3.3Å; Y673-M677 WeakPolarHBondContact O-CG 3.47Å; Y673-M677 PolarHBondContact O-N 3.14Å
674	K	82	Confident	81	Confident	86 Å²	86	95.4 Å²	95.4	37%	0.374	47%	0.466	S	S	.	.	H	α-helix	trans	-59.8	-43	173.3	-77.8	174.4	176.3	-177.8	0	112.4	E391 D670 Q678	E391-K674 VanDerWaalsContact CD-NZ 3.3Å; E391-K674 WeakPolarHBondContact OE1-CE 3.31Å; E391-K674 IonicContact OE1-NZ 2.88Å; E391-K674 PolarHBondContact OE1-NZ 3.45Å; E391-K674 WeakPolarHBondContact OE2-CE 3.37Å; E391-K674 IonicContact OE2-NZ 2.7Å; D670-K674 WeakPolarHBondContact O-CB 3.47Å; D670-K674 VanDerWaalsContact O-CG 3.28Å; D670-K674 WeakPolarHBondContact O-CG 3.47Å; D670-K674 PolarHBondContact O-N 3.48Å; K674-Q678 WeakPolarHBondContact O-CB 3.3Å; K674-Q678 VanDerWaalsContact O-CG 3.25Å; K674-Q678 WeakPolarHBondContact O-CG 3.46Å; K674-Q678 PolarHBondContact O-N 3.14Å
675	K	85.2	Confident	80.8	Confident	137 Å²	137	94.6 Å²	94.6	60%	0.596	47%	0.469	S	S	*	.	H	α-helix	trans	-63.9	-43.2	175.5	-74.5	171.9	178.3	-176	0	112.3	R671 L672 Y673 Q678 A679	R671-K675 VanDerWaalsContact O-CG 3.29Å; R671-K675 WeakPolarHBondContact O-CG 3.39Å; R671-K675 PolarHBondContact O-N 2.93Å; R671-K675 VanDerWaalsContact O-N 3.14Å; L672-K675 WeakPolarHBondContact O-CB 2.9Å; L672-K675 PolarHBondContact O-N 2.7Å; Y673-K675 VanDerWaalsContact C-N 3.35Å; Y673-K675 PolarHBondContact O-N 3.4Å; K675-Q678 PolarHBondContact O-N 2.74Å; K675-A679 PolarHBondContact O-N 3.12Å
676	S	82.8	Confident	80.6	Confident	63 Å²	63	95.7 Å²	95.7	44%	0.441	48%	0.476	S	S	.	.	H	α-helix	trans	-68.6	-39.7	178.3	63.7	0	0	0	0	112.3	L672 Y673 Q678 A679 S680	L672-S676 PolarHBondContact O-N 3.22Å; L672-S676 PolarHBondContact O-OG 2.82Å; Y673-S676 PolarHBondContact O-N 3.43Å; Y673-S676 PolarHBondContact O-OG 3.13Å; S676-Q678 VanDerWaalsContact C-N 3.28Å; S676-Q678 PolarHBondContact O-N 3.19Å; S676-A679 PolarHBondContact O-N 2.91Å; S676-S680 VanDerWaalsContact O-CB 3.3Å; S676-S680 WeakPolarHBondContact O-CB 3.31Å; S676-S680 PolarHBondContact O-N 2.7Å
677	M	76.9	Confident	80.5	Confident	44 Å²	44	100.8 Å²	100.8	22%	0.217	50%	0.501	C	S	.	.	H	α-helix	trans	-70	-20.6	174.4	-71.4	-74.2	-81.3	0	0	113.6	Y673 K681	Y673-M677 HydrophobicContact CD1-CG 4.11Å; Y673-M677 HydrophobicContact CD2-CG 4.37Å; Y673-M677 HydrophobicContact CE1-CE 4.45Å; Y673-M677 HydrophobicContact CE1-CG 3.74Å; Y673-M677 HydrophobicContact CE2-CG 4.04Å; Y673-M677 HydrophobicContact CE2-SD 4.43Å; Y673-M677 HydrophobicContact CG-CG 4.4Å; Y673-M677 VanDerWaalsContact O-CB 3.31Å; Y673-M677 WeakPolarHBondContact O-CB 3.29Å; Y673-M677 VanDerWaalsContact O-CG 3.3Å; Y673-M677 WeakPolarHBondContact O-CG 3.47Å; Y673-M677 PolarHBondContact O-N 3.14Å; M677-K681 WeakPolarHBondContact O-CD 3.39Å; M677-K681 VanDerWaalsContact O-CG 3.31Å; M677-K681 WeakPolarHBondContact O-CG 3.25Å
678	Q	80.2	Confident	80.3	Confident	123 Å²	123	103.3 Å²	103.3	58%	0.575	51%	0.51	S	S	*	.	H	α-helix	trans	-79.8	-45.5	168.1	-77.6	171.4	-22.6	0	0	111.2	K674 K675 S676 S680 K681 I682	K674-Q678 WeakPolarHBondContact O-CB 3.3Å; K674-Q678 VanDerWaalsContact O-CG 3.25Å; K674-Q678 WeakPolarHBondContact O-CG 3.46Å; K674-Q678 PolarHBondContact O-N 3.14Å; K675-Q678 PolarHBondContact O-N 2.74Å; S676-Q678 VanDerWaalsContact C-N 3.28Å; S676-Q678 PolarHBondContact O-N 3.19Å; Q678-S680 VanDerWaalsContact C-N 3.34Å; Q678-S680 PolarHBondContact O-N 3.1Å; Q678-K681 PolarHBondContact O-N 2.97Å; Q678-K681 VanDerWaalsContact O-N 3.1Å; Q678-I682 WeakPolarHBondContact O-CD1 3.49Å; Q678-I682 WeakPolarHBondContact O-CG1 3.32Å; Q678-I682 PolarHBondContact O-N 3.3Å
679	A	81.3	Confident	79.8	Confident	56 Å²	56	102.4 Å²	102.4	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-59.2	-44.4	176	0	0	0	0	0	111.9	K675 S676 K681 I682 L683	K675-A679 PolarHBondContact O-N 3.12Å; S676-A679 PolarHBondContact O-N 2.91Å; A679-K681 PolarHBondContact O-N 3.49Å; A679-K681 VanDerWaalsContact O-N 3.07Å; A679-I682 PolarHBondContact O-N 2.98Å; A679-L683 PolarHBondContact O-N 3.47Å
680	S	76.6	Confident	79.5	Confident	88 Å²	88	103.1 Å²	103.1	62%	0.615	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	14.5	175.9	-168.5	0	0	0	0	114.8	S676 Q678	S676-S680 VanDerWaalsContact O-CB 3.3Å; S676-S680 WeakPolarHBondContact O-CB 3.31Å; S676-S680 PolarHBondContact O-N 2.7Å; Q678-S680 VanDerWaalsContact C-N 3.34Å; Q678-S680 PolarHBondContact O-N 3.1Å
681	K	74.8	Confident	79.3	Confident	166 Å²	166	109.3 Å²	109.3	72%	0.722	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-7.4	166.6	-75.2	178.6	178.4	-173.6	0	112.8	M677 Q678 A679	M677-K681 WeakPolarHBondContact O-CD 3.39Å; M677-K681 VanDerWaalsContact O-CG 3.31Å; M677-K681 WeakPolarHBondContact O-CG 3.25Å; Q678-K681 PolarHBondContact O-N 2.97Å; Q678-K681 VanDerWaalsContact O-N 3.1Å; A679-K681 PolarHBondContact O-N 3.49Å; A679-K681 VanDerWaalsContact O-N 3.07Å
682	I	74.7	Confident	78.7	Confident	153 Å²	153	105.2 Å²	105.2	79%	0.785	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-31.6	178.5	-66.4	164.8	0	0	0	109.6	Q678 A679	Q678-I682 WeakPolarHBondContact O-CD1 3.49Å; Q678-I682 WeakPolarHBondContact O-CG1 3.32Å; Q678-I682 PolarHBondContact O-N 3.3Å; A679-I682 PolarHBondContact O-N 2.98Å
683	L	60.1	Low	77.9	Confident	201 Å²	201	105.5 Å²	105.5	100%	1.052	55%	0.546	S	S	*	.			trans	-92.9	0	163.8	-169.7	160.9	0	0	0	109	A679	A679-L683 PolarHBondContact O-N 3.47Å

Retrieved 683 of 683 residues in 964.6 ms (Link to these results)

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