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Lamin-B1

Lamins are intermediate filament proteins that assemble into a filamentous meshwork, and which constitute the major components of the nuclear lamina, a fibrous layer on the nucleoplasmic side of the inner nuclear membrane. Lamins provide a framework for the nuclear envelope, bridging the nuclear envelope and chromatin, thereby playing an important role in nuclear assembly, chromatin organization, nuclear membrane and telomere dynamics. The structural integrity of the lamina is strictly controlled by the cell cycle, as seen by the disintegration and formation of the nuclear envelope in prophase and telophase, respectively.

AlphaFold DB , UniProt , Accession I2CV36, Species MACMU (Macaca mulatta, Rhesus macaque), Gene LMNB1, Length 586 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	36.9	Very low	47.2	Very low	238 Å²	238	138.5 Å²	138.5	100%	1.172	82%	0.822	S	S	*	*				0	131	0	-66.7	165.1	170.8	0	0	106.4
2	A	41.1	Very low	46.7	Very low	88 Å²	88	134 Å²	134	73%	0.727	83%	0.826	S	S	*	*			cis	69.8	141.1	42.6	0	0	0	0	0	111.5
3	T	41.7	Very low	46.4	Very low	140 Å²	140	133.3 Å²	133.3	86%	0.859	83%	0.83	S	S	*	*			cis	-173.5	166.1	-0.9	13.1	0	0	0	0	107.8
4	A	39.1	Very low	45.6	Very low	91 Å²	91	141.4 Å²	141.4	75%	0.752	84%	0.837	S	S	*	*			cis	-163.1	-170.3	-4	0	0	0	0	0	110.5
5	T	45.1	Very low	45.3	Very low	128 Å²	128	138.5 Å²	138.5	79%	0.785	84%	0.835	S	S	*	*			trans	-64.1	173.1	168	-3.2	0	0	0	0	113.4
6	P	54.7	Low	45	Very low	120 Å²	120	134.9 Å²	134.9	78%	0.779	84%	0.836	S	S	*	*				-159	-158.6	66.1	44.2	-19.7	0	0	0	117.7
7	V	47.8	Very low	44.9	Very low	130 Å²	130	131.6 Å²	131.6	79%	0.788	84%	0.835	S	S	*	*			trans	-149.3	-172.8	-176.3	-159.1	0	0	0	0	109.5
8	P	69.1	Low	45	Very low	108 Å²	108	131.6 Å²	131.6	70%	0.701	84%	0.835	S	S	*	*				-98	-166.7	-95.5	42.3	-27.1	0	0	0	116.4
9	P	56.9	Low	45.2	Very low	133 Å²	133	131.1 Å²	131.1	86%	0.864	83%	0.831	S	S	*	*			trans	-145	-156	131.4	38.3	-20.6	0	0	0	116.8
10	R	44.5	Very low	45	Very low	219 Å²	219	130.9 Å²	130.9	83%	0.826	83%	0.828	S	S	*	*			trans	-141.3	163.1	-157.1	-99.7	177	73.8	-165.2	5	117.1
11	T	42.3	Very low	45.5	Very low	128 Å²	128	130.1 Å²	130.1	79%	0.785	82%	0.824	S	S	*	*			trans	69.6	143	148.1	46.3	0	0	0	0	124.3
12	G	40.9	Very low	45.4	Very low	85 Å²	85	125.5 Å²	125.5	88%	0.876	80%	0.804	S	S	*	*			trans	160.9	131.7	154.4	0	0	0	0	0	117.1
13	S	43.3	Very low	45.6	Very low	125 Å²	125	126.7 Å²	126.7	87%	0.874	81%	0.806	S	S	*	*			trans	-120.7	159.7	-171.7	174.8	0	0	0	0	114.9
14	R	35.2	Very low	46.1	Very low	246 Å²	246	125.2 Å²	125.2	93%	0.928	80%	0.8	S	S	*	*			trans	-160.9	164.1	156.8	-163.5	158.4	169	164.4	-5.5	113.1
15	A	41.7	Very low	46	Very low	98 Å²	98	125.4 Å²	125.4	81%	0.81	79%	0.791	S	S	*	*			trans	-147.1	174.4	-170.7	0	0	0	0	0	114.9
16	G	39.5	Very low	46.4	Very low	82 Å²	82	131.4 Å²	131.4	85%	0.845	80%	0.8	S	S	*	*			trans	151.8	129.5	151.9	0	0	0	0	0	120.3
17	G	42.9	Very low	46	Very low	79 Å²	79	131.2 Å²	131.2	81%	0.814	79%	0.792	S	S	*	*			trans	90.2	162.4	157.2	0	0	0	0	0	118.2
18	P	48.3	Very low	46.2	Very low	131 Å²	131	129.3 Å²	129.3	85%	0.851	78%	0.784	S	S	*	*			cis	-123	-159.5	4.4	43.1	-28.2	0	0	0	114.5
19	T	48.9	Very low	45.9	Very low	121 Å²	121	134.6 Å²	134.6	74%	0.742	79%	0.79	S	S	*	*			trans	-134.4	177.1	-170.8	57.8	0	0	0	0	115.3
20	T	41	Very low	46.1	Very low	128 Å²	128	134.5 Å²	134.5	79%	0.785	78%	0.781	S	S	*	*			trans	72.8	157.8	155.5	35.6	0	0	0	0	118.4
21	P	55.5	Low	46.8	Very low	115 Å²	115	128.1 Å²	128.1	75%	0.747	76%	0.761	S	S	*	*			cis	-104.1	-133.2	4.7	26.9	-4.2	0	0	0	111.8
22	L	33.9	Very low	47.7	Very low	141 Å²	141	127.8 Å²	127.8	74%	0.738	75%	0.75	S	S	*	*			cis	-163.3	145.9	2.3	-145.5	-179	0	0	0	111.3
23	S	46.3	Very low	49.1	Very low	112 Å²	112	131.7 Å²	131.7	78%	0.783	74%	0.743	S	S	*	*			trans	-145.9	138.1	155.8	-67.4	0	0	0	0	106.7
24	P	51.1	Low	50.3	Low	110 Å²	110	131.9 Å²	131.9	71%	0.714	73%	0.73	S	S	*	*				-140.3	-156.6	71.3	28.4	-1.9	0	0	0	111.1
25	T	36.4	Very low	51.7	Low	95 Å²	95	126.2 Å²	126.2	58%	0.583	71%	0.714	S	S	*	*			cis	-158.9	151.2	22.1	-37	0	0	0	0	113.7	L27	T25-L27 HydrophobicContact CG2-CD1 3.74Å; T25-L27 HydrophobicContact CG2-CG 3.99Å; T25-L27 PolarHBondContact O-N 2.66Å
26	R	54	Low	53	Low	254 Å²	254	126.4 Å²	126.4	96%	0.958	70%	0.701	S	S	*	*			trans	-76.1	96.8	161.4	-92.4	-172.8	166.4	-160.5	-1.1	110.1
27	L	45.9	Very low	54.6	Low	116 Å²	116	131.1 Å²	131.1	61%	0.607	69%	0.694	S	S	*	*			trans	-137.7	172.8	175.3	-88.9	164	0	0	0	112.2	T25	T25-L27 HydrophobicContact CG2-CD1 3.74Å; T25-L27 HydrophobicContact CG2-CG 3.99Å; T25-L27 PolarHBondContact O-N 2.66Å
28	S	53.7	Low	56.1	Low	89 Å²	89	132.8 Å²	132.8	62%	0.622	68%	0.68	S	S	*	*			trans	-77.9	153.1	-171.1	-168.4	0	0	0	0	112.9	L30 Q31	S28-L30 PolarHBondContact O-N 2.66Å; S28-Q31 PolarHBondContact O-N 2.82Å
29	R	61.5	Low	57.4	Low	219 Å²	219	131.5 Å²	131.5	83%	0.826	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	6.1	-172.1	-157.8	-179.7	-178.2	177.5	1.5	116.8
30	L	62.1	Low	58.6	Low	132 Å²	132	130.4 Å²	130.4	69%	0.691	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-37.6	177.8	-152.4	127.6	0	0	0	111.8	S28 K33	S28-L30 PolarHBondContact O-N 2.66Å; L30-K33 PolarHBondContact O-N 3.21Å
31	Q	59.1	Low	60.2	Low	85 Å²	85	129.1 Å²	129.1	40%	0.397	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.6	-34.7	-177.7	-69.1	174.1	-78.7	0	0	112.9	S28 K33 E34 E35	S28-Q31 PolarHBondContact O-N 2.82Å; Q31-K33 PolarHBondContact O-N 3.44Å; Q31-E34 PolarHBondContact O-N 3.03Å; Q31-E35 PolarHBondContact O-N 3.42Å; Q31-E35 VanDerWaalsContact O-N 3.08Å
32	E	61.2	Low	61.1	Low	121 Å²	121	130.6 Å²	130.6	57%	0.565	63%	0.634	S	S	*	*	H	α-helix	trans	-53.7	-27.1	173.9	-172.4	177.8	-133	0	0	112.7	L36	E32-L36 WeakPolarHBondContact O-CB 3.2Å; E32-L36 WeakPolarHBondContact O-CG 3.37Å; E32-L36 PolarHBondContact O-N 3.47Å
33	K	69.1	Low	63.1	Low	166 Å²	166	128.1 Å²	128.1	72%	0.722	62%	0.621	S	S	*	*	H	α-helix	trans	-82.3	-21.7	177.3	-167.1	177.4	178.7	-175.8	0	113.7	L30 Q31	L30-K33 PolarHBondContact O-N 3.21Å; Q31-K33 PolarHBondContact O-N 3.44Å
34	E	68.2	Low	64.5	Low	130 Å²	130	125 Å²	125	61%	0.607	60%	0.603	S	S	*	*	H	α-helix	trans	-86.7	-40.5	175.4	-69.8	178.9	133.2	0	0	110.7	Q31 L36 R37 E38	Q31-E34 PolarHBondContact O-N 3.03Å; E34-L36 PolarHBondContact O-N 3.41Å; E34-R37 WeakPolarHBondContact O-CA 3.12Å; E34-R37 VanDerWaalsContact O-CB 3.25Å; E34-R37 WeakPolarHBondContact O-CB 3.48Å; E34-R37 PolarHBondContact O-N 2.95Å; E34-E38 PolarHBondContact O-N 3.15Å
35	E	65.4	Low	66	Low	126 Å²	126	124.8 Å²	124.8	59%	0.589	60%	0.599	S	S	*	*	H	α-helix	trans	-59.6	-43.5	173	-67.4	178.7	174.9	0	0	112.1	Q31 R37 E38 L39	Q31-E35 PolarHBondContact O-N 3.42Å; Q31-E35 VanDerWaalsContact O-N 3.08Å; E35-R37 PolarHBondContact O-N 2.92Å; E35-E38 PolarHBondContact O-N 3.49Å; E35-L39 WeakPolarHBondContact O-CB 3.04Å; E35-L39 PolarHBondContact O-N 2.89Å
36	L	69.7	Low	68.1	Low	102 Å²	102	128.1 Å²	128.1	53%	0.534	60%	0.602	S	S	.	*	H	α-helix	trans	-64	-17.9	173	-81.2	172.2	0	0	0	113.7	E32 E34 N40	E32-L36 WeakPolarHBondContact O-CB 3.2Å; E32-L36 WeakPolarHBondContact O-CG 3.37Å; E32-L36 PolarHBondContact O-N 3.47Å; E34-L36 PolarHBondContact O-N 3.41Å; L36-N40 PolarHBondContact O-ND2 3.3Å
37	R	72.9	Confident	69.2	Low	182 Å²	182	119.9 Å²	119.9	69%	0.687	58%	0.576	S	S	*	*	H	α-helix	trans	-83.7	-51.7	175.8	-150.4	173.1	-167.7	167.2	1.5	110.3	E34 E35 L39 N40 D41	E34-R37 WeakPolarHBondContact O-CA 3.12Å; E34-R37 VanDerWaalsContact O-CB 3.25Å; E34-R37 WeakPolarHBondContact O-CB 3.48Å; E34-R37 PolarHBondContact O-N 2.95Å; E35-R37 PolarHBondContact O-N 2.92Å; R37-L39 PolarHBondContact O-N 3.45Å; R37-N40 PolarHBondContact O-N 3.42Å; R37-D41 PolarHBondContact O-N 3.32Å
38	E	74.8	Confident	70.9	Confident	113 Å²	113	118.8 Å²	118.8	53%	0.528	57%	0.571	S	S	.	*	H	α-helix	trans	-56.9	-37.8	175.6	-166.3	-167.9	151.5	0	0	111.9	E34 E35 D41 R42	E34-E38 PolarHBondContact O-N 3.15Å; E35-E38 PolarHBondContact O-N 3.49Å; E38-D41 PolarHBondContact O-N 2.71Å; E38-R42 PolarHBondContact O-N 2.93Å; E38-R42 IonicContact OE1-CZ 2.69Å; E38-R42 IonicContact OE1-NH1 2.69Å; E38-R42 PolarHBondContact OE1-NH1 2.77Å
39	L	75.1	Confident	72.2	Confident	104 Å²	104	119.2 Å²	119.2	55%	0.545	56%	0.561	S	S	.	*	H	α-helix	trans	-66	-39.8	176.7	-168.5	70.6	0	0	0	112.7	E35 R37 L43	E35-L39 WeakPolarHBondContact O-CB 3.04Å; E35-L39 PolarHBondContact O-N 2.89Å; R37-L39 PolarHBondContact O-N 3.45Å; L39-L43 WeakPolarHBondContact O-CB 3.19Å; L39-L43 PolarHBondContact O-N 3.09Å
40	N	73.3	Confident	73.2	Confident	99 Å²	99	112 Å²	112	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-69	-40.6	175.6	-88.4	-71.5	0	0	0	111.8	L36 R37 R42 L43 A44	L36-N40 PolarHBondContact O-ND2 3.3Å; R37-N40 PolarHBondContact O-N 3.42Å; N40-R42 VanDerWaalsContact C-N 3.32Å; N40-R42 PolarHBondContact O-N 3.26Å; N40-L43 WeakPolarHBondContact O-CB 3.21Å; N40-L43 PolarHBondContact O-N 2.75Å; N40-L43 VanDerWaalsContact O-N 3.09Å; N40-A44 PolarHBondContact O-N 3.02Å
41	D	75.4	Confident	74.2	Confident	101 Å²	101	112.6 Å²	112.6	54%	0.54	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-39.6	176.5	-63.5	-29.5	0	0	0	110.8	R37 E38 A44 V45	R37-D41 PolarHBondContact O-N 3.32Å; E38-D41 PolarHBondContact O-N 2.71Å; D41-A44 PolarHBondContact O-N 3Å; D41-V45 WeakPolarHBondContact O-CG2 3.48Å; D41-V45 PolarHBondContact O-N 2.98Å; D41-V45 VanDerWaalsContact O-N 3.17Å
42	R	75	Confident	75.4	Confident	145 Å²	145	110.8 Å²	110.8	55%	0.547	53%	0.531	S	S	.	.	H	α-helix	trans	-60.7	-42.6	169.2	-107.1	-170.8	-177.1	96	1.2	112.7	E38 N40 V45 Y46	E38-R42 PolarHBondContact O-N 2.93Å; E38-R42 IonicContact OE1-CZ 2.69Å; E38-R42 IonicContact OE1-NH1 2.69Å; E38-R42 PolarHBondContact OE1-NH1 2.77Å; N40-R42 VanDerWaalsContact C-N 3.32Å; N40-R42 PolarHBondContact O-N 3.26Å; R42-V45 PolarHBondContact O-N 3.37Å; R42-Y46 WeakPolarHBondContact O-CD2 3.36Å; R42-Y46 PolarHBondContact O-N 3.3Å
43	L	75.7	Confident	76.5	Confident	90 Å²	90	109.2 Å²	109.2	47%	0.471	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-39.5	179.1	-109	163	0	0	0	111.9	L39 N40 Y46 I47	L39-L43 WeakPolarHBondContact O-CB 3.19Å; L39-L43 PolarHBondContact O-N 3.09Å; N40-L43 WeakPolarHBondContact O-CB 3.21Å; N40-L43 PolarHBondContact O-N 2.75Å; N40-L43 VanDerWaalsContact O-N 3.09Å; L43-Y46 PolarHBondContact O-N 3.08Å; L43-I47 HydrophobicContact CD2-CD1 4.4Å; L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.33Å; L43-I47 PolarHBondContact O-N 3.28Å
44	A	75.9	Confident	77.2	Confident	47 Å²	47	106.7 Å²	106.7	39%	0.388	52%	0.517	S	S	.	.	H	α-helix	trans	-60.2	-48.8	173.5	0	0	0	0	0	111.4	N40 D41 Y46 I47 D48	N40-A44 PolarHBondContact O-N 3.02Å; D41-A44 PolarHBondContact O-N 3Å; A44-Y46 VanDerWaalsContact C-N 3.29Å; A44-Y46 PolarHBondContact O-N 3.2Å; A44-I47 PolarHBondContact O-N 3.13Å; A44-I47 VanDerWaalsContact O-N 3.13Å; A44-D48 PolarHBondContact O-N 3.41Å
45	V	80.6	Confident	78.1	Confident	105 Å²	105	105 Å²	105	64%	0.636	52%	0.516	S	S	*	.	H	α-helix	trans	-58.8	-38.7	176	172.9	0	0	0	0	112.1	D41 R42 K49	D41-V45 WeakPolarHBondContact O-CG2 3.48Å; D41-V45 PolarHBondContact O-N 2.98Å; D41-V45 VanDerWaalsContact O-N 3.17Å; R42-V45 PolarHBondContact O-N 3.37Å; V45-K49 WeakPolarHBondContact O-CB 3.29Å; V45-K49 PolarHBondContact O-N 3.23Å
46	Y	80.4	Confident	79.1	Confident	164 Å²	164	103.8 Å²	103.8	64%	0.643	51%	0.51	S	S	*	.	H	α-helix	trans	-68.1	-42.1	174.2	-96.1	-76.6	0	0	0	113	R42 L43 A44 K49 V50	R42-Y46 WeakPolarHBondContact O-CD2 3.36Å; R42-Y46 PolarHBondContact O-N 3.3Å; L43-Y46 PolarHBondContact O-N 3.08Å; A44-Y46 VanDerWaalsContact C-N 3.29Å; A44-Y46 PolarHBondContact O-N 3.2Å; Y46-K49 PolarHBondContact O-N 2.97Å; Y46-V50 WeakPolarHBondContact O-CG2 3.45Å; Y46-V50 PolarHBondContact O-N 2.66Å
47	I	79	Confident	79.8	Confident	81 Å²	81	103 Å²	103	42%	0.415	51%	0.507	S	S	.	.	H	α-helix	trans	-63.4	-43.7	177.5	-71.9	164.3	0	0	0	110.7	L43 A44 V50 R51	L43-I47 HydrophobicContact CD2-CD1 4.4Å; L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.33Å; L43-I47 PolarHBondContact O-N 3.28Å; A44-I47 PolarHBondContact O-N 3.13Å; A44-I47 VanDerWaalsContact O-N 3.13Å; I47-V50 PolarHBondContact O-N 3.12Å; I47-R51 WeakPolarHBondContact O-CG 3.47Å; I47-R51 PolarHBondContact O-N 3.49Å
48	D	80.3	Confident	80.5	Confident	93 Å²	93	97.5 Å²	97.5	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-69.7	-32.4	177.4	-70.9	-24.7	0	0	0	112	A44 R51 S52	A44-D48 PolarHBondContact O-N 3.41Å; D48-R51 IonicContact OD1-NH1 2.72Å; D48-R51 PolarHBondContact OD1-NH1 3.49Å; D48-S52 WeakPolarHBondContact O-CB 3.47Å; D48-S52 PolarHBondContact O-N 2.81Å
49	K	81.4	Confident	81.1	Confident	98 Å²	98	94.6 Å²	94.6	43%	0.426	49%	0.491	S	S	.	.	H	α-helix	trans	-71.7	-34.5	171.5	-173.5	56.4	-164.8	155.7	0	112.9	V45 Y46 S52 L53	V45-K49 WeakPolarHBondContact O-CB 3.29Å; V45-K49 PolarHBondContact O-N 3.23Å; Y46-K49 PolarHBondContact O-N 2.97Å; K49-S52 PolarHBondContact NZ-OG 3.34Å; K49-S52 WeakPolarHBondContact O-CB 3.4Å; K49-S52 PolarHBondContact O-N 3.17Å; K49-L53 HydrophobicContact CD-CG 4.44Å; K49-L53 HydrophobicContact CG-CD1 4.31Å; K49-L53 WeakPolarHBondContact O-CG 3.26Å; K49-L53 PolarHBondContact O-N 3.5Å
50	V	83.1	Confident	81.6	Confident	69 Å²	69	94 Å²	94	42%	0.418	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-48.4	171.6	168.2	0	0	0	0	110.2	Y46 I47 S52 L53 E54	Y46-V50 WeakPolarHBondContact O-CG2 3.45Å; Y46-V50 PolarHBondContact O-N 2.66Å; I47-V50 PolarHBondContact O-N 3.12Å; V50-S52 VanDerWaalsContact C-N 3.3Å; V50-S52 PolarHBondContact O-N 2.73Å; V50-L53 CarbonylContact O-C 3.53Å; V50-L53 WeakPolarHBondContact O-CA 3.3Å; V50-L53 PolarHBondContact O-N 3.47Å; V50-E54 HydrophobicContact CG1-CG 4.21Å; V50-E54 WeakPolarHBondContact O-CG 3.18Å; V50-E54 PolarHBondContact O-N 3.42Å
51	R	82.2	Confident	82.2	Confident	144 Å²	144	94.6 Å²	94.6	54%	0.543	49%	0.488	S	S	.	.	H	α-helix	trans	-57.8	-40	174.2	-73.2	167.4	168.2	173.9	-6.3	113.1	I47 D48 E54 T55	I47-R51 WeakPolarHBondContact O-CG 3.47Å; I47-R51 PolarHBondContact O-N 3.49Å; D48-R51 IonicContact OD1-NH1 2.72Å; D48-R51 PolarHBondContact OD1-NH1 3.49Å; R51-E54 PolarHBondContact O-N 3.23Å; R51-T55 WeakPolarHBondContact O-CG2 3.43Å; R51-T55 PolarHBondContact O-N 3.09Å; R51-T55 PolarHBondContact O-OG1 3.44Å
52	S	85.1	Confident	82.9	Confident	46 Å²	46	95.5 Å²	95.5	32%	0.322	49%	0.492	S	S	.	.	H	α-helix	trans	-59.4	-45.5	171.7	156.4	0	0	0	0	111.5	D48 K49 V50 T55 E56	D48-S52 WeakPolarHBondContact O-CB 3.47Å; D48-S52 PolarHBondContact O-N 2.81Å; K49-S52 PolarHBondContact NZ-OG 3.34Å; K49-S52 WeakPolarHBondContact O-CB 3.4Å; K49-S52 PolarHBondContact O-N 3.17Å; V50-S52 VanDerWaalsContact C-N 3.3Å; V50-S52 PolarHBondContact O-N 2.73Å; S52-T55 PolarHBondContact O-OG1 2.69Å; S52-E56 WeakPolarHBondContact O-CB 3.18Å; S52-E56 PolarHBondContact O-N 3.36Å
53	L	83.1	Confident	83.5	Confident	88 Å²	88	93.3 Å²	93.3	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-71.7	-32.6	178.7	-70.6	168	0	0	0	112.7	K49 V50 N57	K49-L53 HydrophobicContact CD-CG 4.44Å; K49-L53 HydrophobicContact CG-CD1 4.31Å; K49-L53 WeakPolarHBondContact O-CG 3.26Å; K49-L53 PolarHBondContact O-N 3.5Å; V50-L53 CarbonylContact O-C 3.53Å; V50-L53 WeakPolarHBondContact O-CA 3.3Å; V50-L53 PolarHBondContact O-N 3.47Å; L53-N57 WeakPolarHBondContact O-CB 3.44Å; L53-N57 PolarHBondContact O-N 3.35Å
54	E	85	Confident	84	Confident	114 Å²	114	93 Å²	93	53%	0.533	49%	0.489	S	S	.	.	H	α-helix	trans	-65.8	-48.6	174	-72.9	171.2	155.9	0	0	110.7	V50 R51 E56 N57 S58	V50-E54 HydrophobicContact CG1-CG 4.21Å; V50-E54 WeakPolarHBondContact O-CG 3.18Å; V50-E54 PolarHBondContact O-N 3.42Å; R51-E54 PolarHBondContact O-N 3.23Å; E54-E56 PolarHBondContact O-N 3.17Å; E54-N57 PolarHBondContact O-N 3.02Å; E54-S58 PolarHBondContact O-N 2.9Å; E54-S58 PolarHBondContact O-OG 3.35Å
55	T	86.2	Confident	84.6	Confident	95 Å²	95	94.1 Å²	94.1	58%	0.583	49%	0.492	S	S	*	.	H	α-helix	trans	-64.2	-38.9	175.6	49.4	0	0	0	0	112.6	R51 S52 A59	R51-T55 WeakPolarHBondContact O-CG2 3.43Å; R51-T55 PolarHBondContact O-N 3.09Å; R51-T55 PolarHBondContact O-OG1 3.44Å; S52-T55 PolarHBondContact O-OG1 2.69Å; T55-A59 WeakPolarHBondContact O-CB 3.18Å; T55-A59 PolarHBondContact O-N 3.04Å
56	E	86.5	Confident	85	Confident	99 Å²	99	95 Å²	95	46%	0.463	49%	0.489	S	S	.	.	H	α-helix	trans	-64.1	-43.4	173.8	-175	172.8	-171.1	0	0	111.8	S52 E54 A59 L60	S52-E56 WeakPolarHBondContact O-CB 3.18Å; S52-E56 PolarHBondContact O-N 3.36Å; E54-E56 PolarHBondContact O-N 3.17Å; E56-A59 PolarHBondContact O-N 3.16Å; E56-L60 HydrophobicContact CG-CD1 4.31Å; E56-L60 WeakPolarHBondContact O-CB 3.46Å; E56-L60 VanDerWaalsContact O-CG 3.31Å; E56-L60 WeakPolarHBondContact O-CG 3.42Å; E56-L60 PolarHBondContact O-N 3.35Å
57	N	84.1	Confident	85.4	Confident	87 Å²	87	96 Å²	96	47%	0.465	49%	0.491	S	S	.	.	H	α-helix	trans	-68.8	-39.8	177.8	-166.3	-8.1	0	0	0	111.8	L53 E54 A59 L60 Q61	L53-N57 WeakPolarHBondContact O-CB 3.44Å; L53-N57 PolarHBondContact O-N 3.35Å; E54-N57 PolarHBondContact O-N 3.02Å; N57-A59 PolarHBondContact O-N 3.19Å; N57-L60 PolarHBondContact O-N 3.07Å; N57-Q61 WeakPolarHBondContact O-CB 3.24Å; N57-Q61 VanDerWaalsContact O-CG 3.25Å; N57-Q61 WeakPolarHBondContact O-CG 3.18Å; N57-Q61 PolarHBondContact O-N 3.05Å; N57-Q61 PolarHBondContact OD1-NE2 3Å
58	S	87.4	Confident	85.8	Confident	65 Å²	65	96.7 Å²	96.7	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-38.9	170.9	-66.5	0	0	0	0	112.7	E54 Q61 L62	E54-S58 PolarHBondContact O-N 2.9Å; E54-S58 PolarHBondContact O-OG 3.35Å; S58-Q61 PolarHBondContact O-N 3.35Å; S58-L62 WeakPolarHBondContact O-CG 3.45Å; S58-L62 PolarHBondContact O-N 3.05Å
59	A	88.7	Confident	86.2	Confident	52 Å²	52	97.3 Å²	97.3	43%	0.43	49%	0.493	S	S	.	.	H	α-helix	trans	-67.2	-39	175	0	0	0	0	0	112.3	T55 E56 N57 L62 Q63	T55-A59 WeakPolarHBondContact O-CB 3.18Å; T55-A59 PolarHBondContact O-N 3.04Å; E56-A59 PolarHBondContact O-N 3.16Å; N57-A59 PolarHBondContact O-N 3.19Å; A59-L62 PolarHBondContact O-N 3.02Å; A59-Q63 PolarHBondContact O-N 3.03Å
60	L	85.8	Confident	86.6	Confident	93 Å²	93	95.5 Å²	95.5	49%	0.487	49%	0.49	S	S	.	.	H	α-helix	trans	-67.2	-39.9	174.1	-73.4	168.9	0	0	0	112	E56 N57 Q63 V64	E56-L60 HydrophobicContact CG-CD1 4.31Å; E56-L60 WeakPolarHBondContact O-CB 3.46Å; E56-L60 VanDerWaalsContact O-CG 3.31Å; E56-L60 WeakPolarHBondContact O-CG 3.42Å; E56-L60 PolarHBondContact O-N 3.35Å; N57-L60 PolarHBondContact O-N 3.07Å; L60-Q63 PolarHBondContact O-N 3.34Å; L60-V64 WeakPolarHBondContact O-CG2 3.14Å; L60-V64 PolarHBondContact O-N 3.35Å
61	Q	86.3	Confident	87	Confident	111 Å²	111	98 Å²	98	52%	0.519	49%	0.492	S	S	.	.	H	α-helix	trans	-61.6	-43.4	173.4	-73.8	169.5	27.5	0	0	111.3	N57 S58 V64 T65	N57-Q61 WeakPolarHBondContact O-CB 3.24Å; N57-Q61 VanDerWaalsContact O-CG 3.25Å; N57-Q61 WeakPolarHBondContact O-CG 3.18Å; N57-Q61 PolarHBondContact O-N 3.05Å; N57-Q61 PolarHBondContact OD1-NE2 3Å; S58-Q61 PolarHBondContact O-N 3.35Å; Q61-V64 PolarHBondContact O-N 2.87Å; Q61-T65 PolarHBondContact O-N 2.95Å; Q61-T65 PolarHBondContact O-OG1 3.14Å
62	L	88.3	Confident	87.3	Confident	119 Å²	119	92.7 Å²	92.7	62%	0.623	48%	0.481	S	S	*	.	H	α-helix	trans	-59.6	-47.4	173	-80.7	165.7	0	0	0	112.1	S58 A59 V64 T65 E66	S58-L62 WeakPolarHBondContact O-CG 3.45Å; S58-L62 PolarHBondContact O-N 3.05Å; A59-L62 PolarHBondContact O-N 3.02Å; L62-V64 VanDerWaalsContact C-N 3.3Å; L62-V64 PolarHBondContact O-N 3.27Å; L62-T65 WeakPolarHBondContact CA-OG1 3.43Å; L62-T65 PolarHBondContact O-N 3.49Å; L62-T65 PolarHBondContact O-OG1 3.06Å; L62-E66 WeakPolarHBondContact O-CB 3.48Å; L62-E66 PolarHBondContact O-N 3.04Å
63	Q	88.1	Confident	87.5	Confident	99 Å²	99	98.1 Å²	98.1	46%	0.463	50%	0.495	S	S	.	.	H	α-helix	trans	-62.5	-34	175.6	-76.7	-169.1	4.1	0	0	113.4	A59 L60 R67	A59-Q63 PolarHBondContact O-N 3.03Å; L60-Q63 PolarHBondContact O-N 3.34Å; Q63-R67 WeakPolarHBondContact O-CB 3.47Å; Q63-R67 VanDerWaalsContact O-CG 3.27Å; Q63-R67 WeakPolarHBondContact O-CG 3.41Å; Q63-R67 PolarHBondContact O-N 3.35Å
64	V	86.7	Confident	87.9	Confident	83 Å²	83	100 Å²	100	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-53.8	172.4	169.4	0	0	0	0	109.3	L60 Q61 L62 E66 R67 E68	L60-V64 WeakPolarHBondContact O-CG2 3.14Å; L60-V64 PolarHBondContact O-N 3.35Å; Q61-V64 PolarHBondContact O-N 2.87Å; L62-V64 VanDerWaalsContact C-N 3.3Å; L62-V64 PolarHBondContact O-N 3.27Å; V64-E66 VanDerWaalsContact C-N 3.32Å; V64-E66 PolarHBondContact O-N 2.84Å; V64-R67 PolarHBondContact O-N 3.38Å; V64-R67 VanDerWaalsContact O-N 3.15Å; V64-E68 HydrophobicContact CG1-CG 4.13Å; V64-E68 VanDerWaalsContact O-CG 3.22Å; V64-E68 WeakPolarHBondContact O-CG 3.49Å; V64-E68 PolarHBondContact O-N 2.92Å
65	T	88.3	Confident	88.1	Confident	72 Å²	72	99.6 Å²	99.6	44%	0.442	50%	0.502	S	S	.	.	H	α-helix	trans	-59	-40.6	179.3	48.4	0	0	0	0	112.8	Q61 L62 E68 E69	Q61-T65 PolarHBondContact O-N 2.95Å; Q61-T65 PolarHBondContact O-OG1 3.14Å; L62-T65 WeakPolarHBondContact CA-OG1 3.43Å; L62-T65 PolarHBondContact O-N 3.49Å; L62-T65 PolarHBondContact O-OG1 3.06Å; T65-E68 PolarHBondContact O-N 3.31Å; T65-E69 WeakPolarHBondContact O-CB 3.48Å; T65-E69 WeakPolarHBondContact O-CG 3.4Å; T65-E69 PolarHBondContact O-N 3.25Å
66	E	88.7	Confident	88.4	Confident	124 Å²	124	99.7 Å²	99.7	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-62.6	-44.5	176.3	-177.4	178.1	-148	0	0	111.6	L62 V64 E69 V70	L62-E66 WeakPolarHBondContact O-CB 3.48Å; L62-E66 PolarHBondContact O-N 3.04Å; V64-E66 VanDerWaalsContact C-N 3.32Å; V64-E66 PolarHBondContact O-N 2.84Å; E66-E69 PolarHBondContact O-N 3Å; E66-V70 WeakPolarHBondContact O-CB 3.38Å; E66-V70 VanDerWaalsContact O-CG2 3.29Å; E66-V70 WeakPolarHBondContact O-CG2 3.41Å; E66-V70 PolarHBondContact O-N 3.45Å
67	R	88.8	Confident	88.7	Confident	184 Å²	184	96.6 Å²	96.6	69%	0.694	50%	0.498	S	S	*	.	H	α-helix	trans	-67.2	-36.6	175.4	-74.8	177.8	179.3	-165.1	2	112.8	Q63 V64 R71	Q63-R67 WeakPolarHBondContact O-CB 3.47Å; Q63-R67 VanDerWaalsContact O-CG 3.27Å; Q63-R67 WeakPolarHBondContact O-CG 3.41Å; Q63-R67 PolarHBondContact O-N 3.35Å; V64-R67 PolarHBondContact O-N 3.38Å; V64-R67 VanDerWaalsContact O-N 3.15Å; R67-R71 WeakPolarHBondContact O-CB 3.48Å; R67-R71 PolarHBondContact O-N 3.37Å
68	E	88.4	Confident	89.1	Confident	96 Å²	96	96.4 Å²	96.4	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-69.1	-37.4	176.5	-61.2	-134.9	114.2	0	0	111.4	V64 T65 R71 G72	V64-E68 HydrophobicContact CG1-CG 4.13Å; V64-E68 VanDerWaalsContact O-CG 3.22Å; V64-E68 WeakPolarHBondContact O-CG 3.49Å; V64-E68 PolarHBondContact O-N 2.92Å; T65-E68 PolarHBondContact O-N 3.31Å; E68-R71 IonicContact OE1-CZ 2.65Å; E68-R71 VanDerWaalsContact OE1-CZ 3.23Å; E68-R71 IonicContact OE1-NH1 2.73Å; E68-R71 PolarHBondContact OE1-NH1 2.83Å; E68-R71 IonicContact OE1-NH2 3.83Å; E68-R71 PolarHBondContact OE1-NH2 3Å; E68-R71 IonicContact OE2-NH2 3.22Å; E68-G72 PolarHBondContact O-N 3.16Å
69	E	88.4	Confident	89.4	Confident	105 Å²	105	99.1 Å²	99.1	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-66.2	-46.6	170.9	-79.9	-166.6	-142.1	0	0	112.6	T65 E66 G72 R73	T65-E69 WeakPolarHBondContact O-CB 3.48Å; T65-E69 WeakPolarHBondContact O-CG 3.4Å; T65-E69 PolarHBondContact O-N 3.25Å; E66-E69 PolarHBondContact O-N 3Å; E69-G72 CarbonylContact O-C 3.59Å; E69-G72 WeakPolarHBondContact O-CA 3.37Å; E69-G72 PolarHBondContact O-N 2.98Å; E69-G72 VanDerWaalsContact O-N 3.14Å; E69-R73 VanDerWaalsContact O-CG 3.24Å; E69-R73 WeakPolarHBondContact O-CG 3.43Å; E69-R73 PolarHBondContact O-N 2.8Å; E69-R73 IonicContact OE2-CZ 3.94Å; E69-R73 IonicContact OE2-NE 2.67Å; E69-R73 IonicContact OE2-NH2 2.66Å; E69-R73 PolarHBondContact OE2-NH2 2.9Å
70	V	89.1	Confident	89.6	Confident	60 Å²	60	99 Å²	99	36%	0.364	50%	0.498	S	S	.	.	H	α-helix	trans	-59.5	-50.4	176.8	167.8	0	0	0	0	110.2	E66 G72 R73 E74	E66-V70 WeakPolarHBondContact O-CB 3.38Å; E66-V70 VanDerWaalsContact O-CG2 3.29Å; E66-V70 WeakPolarHBondContact O-CG2 3.41Å; E66-V70 PolarHBondContact O-N 3.45Å; V70-G72 VanDerWaalsContact C-N 3.26Å; V70-G72 PolarHBondContact O-N 2.8Å; V70-R73 PolarHBondContact O-N 3.48Å; V70-R73 VanDerWaalsContact O-N 3.09Å; V70-E74 HydrophobicContact CG1-CG 4.32Å; V70-E74 WeakPolarHBondContact O-CB 3.21Å; V70-E74 WeakPolarHBondContact O-CG 3.35Å; V70-E74 PolarHBondContact O-N 3.17Å
71	R	90.9	Very high	90	Very high	123 Å²	123	99.4 Å²	99.4	46%	0.464	50%	0.501	S	S	.	.	H	α-helix	trans	-57.2	-38.1	173.8	-176.1	-169.9	66.6	-158.2	-5.8	112	R67 E68 L75	R67-R71 WeakPolarHBondContact O-CB 3.48Å; R67-R71 PolarHBondContact O-N 3.37Å; E68-R71 IonicContact OE1-CZ 2.65Å; E68-R71 VanDerWaalsContact OE1-CZ 3.23Å; E68-R71 IonicContact OE1-NH1 2.73Å; E68-R71 PolarHBondContact OE1-NH1 2.83Å; E68-R71 IonicContact OE1-NH2 3.83Å; E68-R71 PolarHBondContact OE1-NH2 3Å; E68-R71 IonicContact OE2-NH2 3.22Å; R71-L75 HydrophobicContact CG-CD1 4.14Å; R71-L75 WeakPolarHBondContact O-CB 3.33Å; R71-L75 VanDerWaalsContact O-CG 3.23Å; R71-L75 WeakPolarHBondContact O-CG 3.32Å; R71-L75 PolarHBondContact O-N 2.81Å
72	G	88.4	Confident	90.4	Very high	31 Å²	31	100.2 Å²	100.2	32%	0.32	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-42.4	174.9	0	0	0	0	0	113.1	E68 E69 V70 T76	E68-G72 PolarHBondContact O-N 3.16Å; E69-G72 CarbonylContact O-C 3.59Å; E69-G72 WeakPolarHBondContact O-CA 3.37Å; E69-G72 PolarHBondContact O-N 2.98Å; E69-G72 VanDerWaalsContact O-N 3.14Å; V70-G72 VanDerWaalsContact C-N 3.26Å; V70-G72 PolarHBondContact O-N 2.8Å; G72-T76 WeakPolarHBondContact O-CB 3.37Å; G72-T76 PolarHBondContact O-N 3.02Å; G72-T76 PolarHBondContact O-OG1 3.11Å
73	R	89.7	Confident	90.8	Very high	161 Å²	161	99.7 Å²	99.7	61%	0.608	49%	0.494	S	S	*	.	H	α-helix	trans	-67.4	-42.4	175.3	-65.3	164.3	-165.2	-179.5	4.5	111.2	E69 V70 T76 G77	E69-R73 VanDerWaalsContact O-CG 3.24Å; E69-R73 WeakPolarHBondContact O-CG 3.43Å; E69-R73 PolarHBondContact O-N 2.8Å; E69-R73 IonicContact OE2-CZ 3.94Å; E69-R73 IonicContact OE2-NE 2.67Å; E69-R73 IonicContact OE2-NH2 2.66Å; E69-R73 PolarHBondContact OE2-NH2 2.9Å; V70-R73 PolarHBondContact O-N 3.48Å; V70-R73 VanDerWaalsContact O-N 3.09Å; R73-T76 PolarHBondContact O-N 2.69Å; R73-G77 PolarHBondContact O-N 3.08Å
74	E	91.1	Very high	91.1	Very high	127 Å²	127	98.5 Å²	98.5	59%	0.593	49%	0.494	S	S	*	.	H	α-helix	trans	-60.6	-50	174.5	-73.9	173.4	165.1	0	0	111.7	V70 T76 G77 L78	V70-E74 HydrophobicContact CG1-CG 4.32Å; V70-E74 WeakPolarHBondContact O-CB 3.21Å; V70-E74 WeakPolarHBondContact O-CG 3.35Å; V70-E74 PolarHBondContact O-N 3.17Å; E74-T76 VanDerWaalsContact C-N 3.3Å; E74-T76 PolarHBondContact O-N 2.68Å; E74-G77 PolarHBondContact O-N 3.33Å; E74-L78 WeakPolarHBondContact O-CB 3.31Å; E74-L78 PolarHBondContact O-N 3.1Å
75	L	90.8	Very high	91.5	Very high	105 Å²	105	100.1 Å²	100.1	55%	0.55	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-36.4	176.3	-73.2	170.1	0	0	0	112.1	R71 K79	R71-L75 HydrophobicContact CG-CD1 4.14Å; R71-L75 WeakPolarHBondContact O-CB 3.33Å; R71-L75 VanDerWaalsContact O-CG 3.23Å; R71-L75 WeakPolarHBondContact O-CG 3.32Å; R71-L75 PolarHBondContact O-N 2.81Å; L75-K79 WeakPolarHBondContact O-CB 3.32Å; L75-K79 PolarHBondContact O-N 3.06Å
76	T	91.9	Very high	91.9	Very high	97 Å²	97	101.4 Å²	101.4	60%	0.595	50%	0.5	S	S	*	.	H	α-helix	trans	-69.5	-39.9	175.5	-56.3	0	0	0	0	111.5	G72 R73 E74 A80	G72-T76 WeakPolarHBondContact O-CB 3.37Å; G72-T76 PolarHBondContact O-N 3.02Å; G72-T76 PolarHBondContact O-OG1 3.11Å; R73-T76 PolarHBondContact O-N 2.69Å; E74-T76 VanDerWaalsContact C-N 3.3Å; E74-T76 PolarHBondContact O-N 2.68Å; T76-A80 WeakPolarHBondContact O-CB 3.26Å; T76-A80 PolarHBondContact O-N 3.3Å
77	G	92.8	Very high	92.2	Very high	35 Å²	35	97.3 Å²	97.3	36%	0.361	49%	0.487	S	S	.	.	H	α-helix	trans	-66.9	-45.2	175.2	0	0	0	0	0	112.6	R73 E74 K79 A80 L81	R73-G77 PolarHBondContact O-N 3.08Å; E74-G77 PolarHBondContact O-N 3.33Å; G77-K79 VanDerWaalsContact C-N 3.33Å; G77-K79 PolarHBondContact O-N 3.17Å; G77-A80 PolarHBondContact O-N 2.99Å; G77-L81 WeakPolarHBondContact O-CG 3.35Å; G77-L81 PolarHBondContact O-N 3.34Å
78	L	92.1	Very high	92.5	Very high	83 Å²	83	92.4 Å²	92.4	44%	0.435	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-41.8	174.9	-172.3	73.1	0	0	0	111.4	E74 L81 Y82	E74-L78 WeakPolarHBondContact O-CB 3.31Å; E74-L78 PolarHBondContact O-N 3.1Å; L78-L81 PolarHBondContact O-N 2.73Å; L78-Y82 HydrophobicContact CD1-CD2 4.48Å; L78-Y82 HydrophobicContact CD1-CE2 3.86Å; L78-Y82 HydrophobicContact CD2-CE2 4.03Å; L78-Y82 HydrophobicContact CG-CD2 4.03Å; L78-Y82 HydrophobicContact CG-CE2 3.65Å; L78-Y82 VanDerWaalsContact O-CD2 3.31Å; L78-Y82 WeakPolarHBondContact O-CD2 3.37Å; L78-Y82 PolarHBondContact O-N 3.43Å
79	K	94	Very high	92.8	Very high	122 Å²	122	90.8 Å²	90.8	53%	0.53	48%	0.477	S	S	.	.	H	α-helix	trans	-60	-48.1	172.3	-179.2	-172.1	166.2	-168.7	0	111.1	L75 G77 L81 Y82 E83	L75-K79 WeakPolarHBondContact O-CB 3.32Å; L75-K79 PolarHBondContact O-N 3.06Å; G77-K79 VanDerWaalsContact C-N 3.33Å; G77-K79 PolarHBondContact O-N 3.17Å; K79-L81 VanDerWaalsContact C-N 3.33Å; K79-L81 PolarHBondContact O-N 2.88Å; K79-Y82 PolarHBondContact O-N 3.13Å; K79-E83 WeakPolarHBondContact CE-OE1 3.31Å; K79-E83 WeakPolarHBondContact CE-OE2 3.49Å; K79-E83 HydrophobicContact CG-CG 4.4Å; K79-E83 IonicContact NZ-OE1 2.92Å; K79-E83 PolarHBondContact NZ-OE1 3.34Å; K79-E83 WeakPolarHBondContact O-CB 3.34Å; K79-E83 WeakPolarHBondContact O-CG 3.41Å; K79-E83 PolarHBondContact O-N 3.16Å
80	A	94	Very high	93.2	Very high	48 Å²	48	93.9 Å²	93.9	40%	0.397	48%	0.484	S	S	.	.	H	α-helix	trans	-61.6	-40.2	179.5	0	0	0	0	0	112	T76 G77 E83 T84	T76-A80 WeakPolarHBondContact O-CB 3.26Å; T76-A80 PolarHBondContact O-N 3.3Å; G77-A80 PolarHBondContact O-N 2.99Å; A80-E83 PolarHBondContact O-N 2.74Å; A80-T84 PolarHBondContact O-N 2.94Å; A80-T84 PolarHBondContact O-OG1 3.38Å
81	L	94.2	Very high	93.6	Very high	103 Å²	103	98.2 Å²	98.2	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-60.1	-52.1	173.9	-72.8	170.4	0	0	0	111.4	G77 L78 K79 E83 T84 E85	G77-L81 WeakPolarHBondContact O-CG 3.35Å; G77-L81 PolarHBondContact O-N 3.34Å; L78-L81 PolarHBondContact O-N 2.73Å; K79-L81 VanDerWaalsContact C-N 3.33Å; K79-L81 PolarHBondContact O-N 2.88Å; L81-E83 VanDerWaalsContact C-N 3.3Å; L81-E83 PolarHBondContact O-N 3.46Å; L81-T84 WeakPolarHBondContact CA-OG1 3.44Å; L81-T84 PolarHBondContact O-N 3.2Å; L81-T84 VanDerWaalsContact O-N 3.1Å; L81-T84 PolarHBondContact O-OG1 3.34Å; L81-E85 WeakPolarHBondContact O-CG 3.33Å; L81-E85 PolarHBondContact O-N 2.71Å
82	Y	94.3	Very high	93.8	Very high	128 Å²	128	95 Å²	95	50%	0.502	49%	0.494	S	S	.	.	H	α-helix	trans	-63.5	-32.8	176.2	-71.1	-46.9	0	0	0	113.2	L78 K79 E85 L86	L78-Y82 HydrophobicContact CD1-CD2 4.48Å; L78-Y82 HydrophobicContact CD1-CE2 3.86Å; L78-Y82 HydrophobicContact CD2-CE2 4.03Å; L78-Y82 HydrophobicContact CG-CD2 4.03Å; L78-Y82 HydrophobicContact CG-CE2 3.65Å; L78-Y82 VanDerWaalsContact O-CD2 3.31Å; L78-Y82 WeakPolarHBondContact O-CD2 3.37Å; L78-Y82 PolarHBondContact O-N 3.43Å; K79-Y82 PolarHBondContact O-N 3.13Å; Y82-E85 WeakPolarHBondContact CD1-OE2 3.49Å; Y82-L86 VanDerWaalsContact O-CB 3.25Å; Y82-L86 WeakPolarHBondContact O-CB 3.45Å; Y82-L86 WeakPolarHBondContact O-CD1 3.5Å; Y82-L86 WeakPolarHBondContact O-CG 3.45Å; Y82-L86 PolarHBondContact O-N 3.39Å
83	E	95.1	Very high	94.2	Very high	107 Å²	107	98.8 Å²	98.8	50%	0.5	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-35.7	172.9	-76.7	179.5	155.6	0	0	111.9	K79 A80 L81 A87	K79-E83 WeakPolarHBondContact CE-OE1 3.31Å; K79-E83 WeakPolarHBondContact CE-OE2 3.49Å; K79-E83 HydrophobicContact CG-CG 4.4Å; K79-E83 IonicContact NZ-OE1 2.92Å; K79-E83 PolarHBondContact NZ-OE1 3.34Å; K79-E83 WeakPolarHBondContact O-CB 3.34Å; K79-E83 WeakPolarHBondContact O-CG 3.41Å; K79-E83 PolarHBondContact O-N 3.16Å; A80-E83 PolarHBondContact O-N 2.74Å; L81-E83 VanDerWaalsContact C-N 3.3Å; L81-E83 PolarHBondContact O-N 3.46Å; E83-A87 WeakPolarHBondContact O-CB 3.36Å; E83-A87 PolarHBondContact O-N 3.05Å
84	T	95.7	Very high	94.5	Very high	74 Å²	74	95.5 Å²	95.5	45%	0.454	50%	0.501	S	S	.	.	H	α-helix	trans	-70.2	-45.1	171.2	49.2	0	0	0	0	112.9	A80 L81 L86 A87 D88	A80-T84 PolarHBondContact O-N 2.94Å; A80-T84 PolarHBondContact O-OG1 3.38Å; L81-T84 WeakPolarHBondContact CA-OG1 3.44Å; L81-T84 PolarHBondContact O-N 3.2Å; L81-T84 VanDerWaalsContact O-N 3.1Å; L81-T84 PolarHBondContact O-OG1 3.34Å; T84-L86 VanDerWaalsContact C-N 3.32Å; T84-L86 PolarHBondContact O-N 3.45Å; T84-A87 WeakPolarHBondContact O-CB 3.49Å; T84-A87 PolarHBondContact O-N 3.03Å; T84-D88 PolarHBondContact O-N 2.96Å
85	E	95.2	Very high	94.7	Very high	118 Å²	118	92.7 Å²	92.7	55%	0.551	49%	0.49	S	S	*	.	H	α-helix	trans	-60.8	-41	176.6	-71.4	179.4	171.8	0	0	111.6	L81 Y82 A87 D88 A89	L81-E85 WeakPolarHBondContact O-CG 3.33Å; L81-E85 PolarHBondContact O-N 2.71Å; Y82-E85 WeakPolarHBondContact CD1-OE2 3.49Å; E85-A87 VanDerWaalsContact C-N 3.35Å; E85-D88 PolarHBondContact O-N 3.18Å; E85-A89 WeakPolarHBondContact O-CB 3.49Å; E85-A89 PolarHBondContact O-N 2.96Å
86	L	95.4	Very high	95	Very high	99 Å²	99	91.7 Å²	91.7	52%	0.518	49%	0.488	S	S	.	.	H	α-helix	trans	-67.5	-32.3	173.8	-74.8	169.9	0	0	0	112.8	Y82 T84 R90	Y82-L86 VanDerWaalsContact O-CB 3.25Å; Y82-L86 WeakPolarHBondContact O-CB 3.45Å; Y82-L86 WeakPolarHBondContact O-CD1 3.5Å; Y82-L86 WeakPolarHBondContact O-CG 3.45Å; Y82-L86 PolarHBondContact O-N 3.39Å; T84-L86 VanDerWaalsContact C-N 3.32Å; T84-L86 PolarHBondContact O-N 3.45Å; L86-R90 WeakPolarHBondContact O-CB 3.36Å; L86-R90 WeakPolarHBondContact O-CD 3.33Å; L86-R90 WeakPolarHBondContact O-CG 3.44Å; L86-R90 PolarHBondContact O-N 3.26Å; L86-R90 VanDerWaalsContact O-N 3.16Å
87	A	95.6	Very high	95.2	Very high	37 Å²	37	89.3 Å²	89.3	31%	0.306	48%	0.479	S	S	.	.	H	α-helix	trans	-70.1	-42.6	174.7	0	0	0	0	0	111.7	E83 T84 E85 R90 R91	E83-A87 WeakPolarHBondContact O-CB 3.36Å; E83-A87 PolarHBondContact O-N 3.05Å; T84-A87 WeakPolarHBondContact O-CB 3.49Å; T84-A87 PolarHBondContact O-N 3.03Å; E85-A87 VanDerWaalsContact C-N 3.35Å; A87-R90 PolarHBondContact O-N 3.15Å; A87-R91 WeakPolarHBondContact O-CG 3.36Å; A87-R91 PolarHBondContact O-N 3.01Å
88	D	95.7	Very high	95.3	Very high	82 Å²	82	93.8 Å²	93.8	44%	0.439	48%	0.484	S	S	.	.	H	α-helix	trans	-73.9	-35.9	179	-72.1	-32.5	0	0	0	112.6	T84 E85 R90 R91 A92	T84-D88 PolarHBondContact O-N 2.96Å; E85-D88 PolarHBondContact O-N 3.18Å; D88-R90 VanDerWaalsContact C-N 3.31Å; D88-R90 PolarHBondContact O-N 3.29Å; D88-R91 PolarHBondContact O-N 2.99Å; D88-R91 WeakPolarHBondContact OD1-CD 3.31Å; D88-R91 IonicContact OD1-CZ 3.9Å; D88-R91 IonicContact OD1-NE 3.23Å; D88-R91 IonicContact OD1-NH1 2.64Å; D88-R91 PolarHBondContact OD1-NH1 3.34Å; D88-A92 WeakPolarHBondContact O-CB 3.4Å; D88-A92 PolarHBondContact O-N 2.99Å
89	A	95.1	Very high	95.5	Very high	61 Å²	61	95 Å²	95	50%	0.504	49%	0.488	S	S	.	.	H	α-helix	trans	-62.2	-37	170	0	0	0	0	0	112.3	E85 L93	E85-A89 WeakPolarHBondContact O-CB 3.49Å; E85-A89 PolarHBondContact O-N 2.96Å; A89-L93 WeakPolarHBondContact O-CB 3.29Å; A89-L93 PolarHBondContact O-N 3.1Å; A89-L93 VanDerWaalsContact O-N 3.09Å
90	R	96.3	Very high	95.6	Very high	171 Å²	171	98 Å²	98	65%	0.645	50%	0.496	S	S	*	.	H	α-helix	trans	-67.8	-45.5	172.8	-75.6	168.2	-175.8	171.5	2.9	111.9	L86 A87 D88 A92 L93 D94	L86-R90 WeakPolarHBondContact O-CB 3.36Å; L86-R90 WeakPolarHBondContact O-CD 3.33Å; L86-R90 WeakPolarHBondContact O-CG 3.44Å; L86-R90 PolarHBondContact O-N 3.26Å; L86-R90 VanDerWaalsContact O-N 3.16Å; A87-R90 PolarHBondContact O-N 3.15Å; D88-R90 VanDerWaalsContact C-N 3.31Å; D88-R90 PolarHBondContact O-N 3.29Å; R90-A92 PolarHBondContact O-N 3.09Å; R90-L93 WeakPolarHBondContact O-CB 3.29Å; R90-L93 PolarHBondContact O-N 3.12Å; R90-L93 VanDerWaalsContact O-N 3.15Å; R90-D94 PolarHBondContact O-N 2.99Å
91	R	96.4	Very high	95.8	Very high	150 Å²	150	97.9 Å²	97.9	57%	0.566	50%	0.495	S	S	*	.	H	α-helix	trans	-54.6	-50.8	174.1	-74	165.2	174.8	160.1	-2	111.1	A87 D88 L93 D94 D95	A87-R91 WeakPolarHBondContact O-CG 3.36Å; A87-R91 PolarHBondContact O-N 3.01Å; D88-R91 PolarHBondContact O-N 2.99Å; D88-R91 WeakPolarHBondContact OD1-CD 3.31Å; D88-R91 IonicContact OD1-CZ 3.9Å; D88-R91 IonicContact OD1-NE 3.23Å; D88-R91 IonicContact OD1-NH1 2.64Å; D88-R91 PolarHBondContact OD1-NH1 3.34Å; R91-L93 VanDerWaalsContact C-N 3.29Å; R91-L93 PolarHBondContact O-N 3.4Å; R91-D94 CarbonylContact O-C 3.6Å; R91-D94 PolarHBondContact O-N 3.41Å; R91-D94 VanDerWaalsContact O-N 3.08Å; R91-D95 WeakPolarHBondContact O-CB 3.46Å; R91-D95 PolarHBondContact O-N 3.08Å
92	A	96.1	Very high	95.9	Very high	55 Å²	55	99 Å²	99	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-60	-36.3	177.9	0	0	0	0	0	113	D88 R90 T96	D88-A92 WeakPolarHBondContact O-CB 3.4Å; D88-A92 PolarHBondContact O-N 2.99Å; R90-A92 PolarHBondContact O-N 3.09Å; A92-T96 WeakPolarHBondContact O-CB 3.4Å; A92-T96 WeakPolarHBondContact O-CG2 3.42Å; A92-T96 PolarHBondContact O-N 3.21Å; A92-T96 PolarHBondContact O-OG1 3.39Å
93	L	96.1	Very high	96	Very high	112 Å²	112	98 Å²	98	59%	0.586	50%	0.499	S	S	*	.	H	α-helix	trans	-67.2	-42.9	173.1	-171.5	151.2	0	0	0	111.6	A89 R90 R91 T96 A97	A89-L93 WeakPolarHBondContact O-CB 3.29Å; A89-L93 PolarHBondContact O-N 3.1Å; A89-L93 VanDerWaalsContact O-N 3.09Å; R90-L93 WeakPolarHBondContact O-CB 3.29Å; R90-L93 PolarHBondContact O-N 3.12Å; R90-L93 VanDerWaalsContact O-N 3.15Å; R91-L93 VanDerWaalsContact C-N 3.29Å; R91-L93 PolarHBondContact O-N 3.4Å; L93-T96 PolarHBondContact O-OG1 3.35Å; L93-A97 WeakPolarHBondContact O-CB 3.21Å; L93-A97 PolarHBondContact O-N 3.46Å
94	D	96.4	Very high	96	Very high	91 Å²	91	99.2 Å²	99.2	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-68.7	-36.1	177	-70.8	-30.5	0	0	0	112.5	R90 R91 R98	R90-D94 PolarHBondContact O-N 2.99Å; R91-D94 CarbonylContact O-C 3.6Å; R91-D94 PolarHBondContact O-N 3.41Å; R91-D94 VanDerWaalsContact O-N 3.08Å; D94-R98 WeakPolarHBondContact O-CB 3.37Å; D94-R98 VanDerWaalsContact O-CG 3.3Å; D94-R98 WeakPolarHBondContact O-CG 3.33Å; D94-R98 PolarHBondContact O-N 3.14Å; D94-R98 PolarHBondContact O-NE 3.47Å
95	D	96.2	Very high	96.1	Very high	69 Å²	69	101.7 Å²	101.7	37%	0.369	51%	0.513	S	S	.	.	H	α-helix	trans	-65.6	-53.3	174.1	-79.6	-57.1	0	0	0	110.7	R91 A97 R98 E99	R91-D95 WeakPolarHBondContact O-CB 3.46Å; R91-D95 PolarHBondContact O-N 3.08Å; D95-A97 VanDerWaalsContact C-N 3.3Å; D95-A97 PolarHBondContact O-N 2.69Å; D95-R98 CarbonylContact O-C 3.59Å; D95-R98 WeakPolarHBondContact O-CB 3.46Å; D95-R98 PolarHBondContact O-N 3.49Å; D95-R98 VanDerWaalsContact O-N 3.08Å; D95-R98 IonicContact OD1-CZ 3.6Å; D95-R98 IonicContact OD1-NH1 2.9Å; D95-R98 PolarHBondContact OD1-NH1 3.31Å; D95-R98 IonicContact OD1-NH2 3.1Å; D95-R98 PolarHBondContact OD1-NH2 3.16Å; D95-R98 IonicContact OD2-NH2 2.82Å; D95-E99 WeakPolarHBondContact O-CG 3.42Å; D95-E99 PolarHBondContact O-N 3.46Å
96	T	95.8	Very high	96.1	Very high	83 Å²	83	101.1 Å²	101.1	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-65.5	-31	178.1	53.9	0	0	0	0	112.8	A92 L93 R100	A92-T96 WeakPolarHBondContact O-CB 3.4Å; A92-T96 WeakPolarHBondContact O-CG2 3.42Å; A92-T96 PolarHBondContact O-N 3.21Å; A92-T96 PolarHBondContact O-OG1 3.39Å; L93-T96 PolarHBondContact O-OG1 3.35Å; T96-R100 VanDerWaalsContact O-CB 3.23Å; T96-R100 WeakPolarHBondContact O-CB 3.27Å; T96-R100 PolarHBondContact O-N 3.25Å
97	A	95.9	Very high	96.1	Very high	48 Å²	48	101 Å²	101	40%	0.397	51%	0.51	S	S	.	.	H	α-helix	trans	-66.2	-41.8	170.3	0	0	0	0	0	112	L93 D95 A101	L93-A97 WeakPolarHBondContact O-CB 3.21Å; L93-A97 PolarHBondContact O-N 3.46Å; D95-A97 VanDerWaalsContact C-N 3.3Å; D95-A97 PolarHBondContact O-N 2.69Å; A97-A101 WeakPolarHBondContact O-CB 3.21Å; A97-A101 PolarHBondContact O-N 2.94Å
98	R	96.6	Very high	96.2	Very high	128 Å²	128	101.1 Å²	101.1	48%	0.483	52%	0.515	S	S	.	.	H	α-helix	trans	-65.8	-39.9	174.5	-80.4	177.9	-80.7	112.6	-5.5	112.3	D94 D95 A101 K102	D94-R98 WeakPolarHBondContact O-CB 3.37Å; D94-R98 VanDerWaalsContact O-CG 3.3Å; D94-R98 WeakPolarHBondContact O-CG 3.33Å; D94-R98 PolarHBondContact O-N 3.14Å; D94-R98 PolarHBondContact O-NE 3.47Å; D95-R98 CarbonylContact O-C 3.59Å; D95-R98 WeakPolarHBondContact O-CB 3.46Å; D95-R98 PolarHBondContact O-N 3.49Å; D95-R98 VanDerWaalsContact O-N 3.08Å; D95-R98 IonicContact OD1-CZ 3.6Å; D95-R98 IonicContact OD1-NH1 2.9Å; D95-R98 PolarHBondContact OD1-NH1 3.31Å; D95-R98 IonicContact OD1-NH2 3.1Å; D95-R98 PolarHBondContact OD1-NH2 3.16Å; D95-R98 IonicContact OD2-NH2 2.82Å; R98-A101 PolarHBondContact O-N 3.47Å; R98-K102 WeakPolarHBondContact O-CG 3.46Å; R98-K102 PolarHBondContact O-N 3.33Å
99	E	96.3	Very high	96.3	Very high	110 Å²	110	103 Å²	103	51%	0.514	52%	0.519	S	S	.	.	H	α-helix	trans	-66.2	-46.2	174.7	-71.4	-178.2	162.1	0	0	111.9	D95 A101 K102 L103	D95-E99 WeakPolarHBondContact O-CG 3.42Å; D95-E99 PolarHBondContact O-N 3.46Å; E99-A101 VanDerWaalsContact C-N 3.27Å; E99-A101 PolarHBondContact O-N 2.98Å; E99-K102 WeakPolarHBondContact O-CB 3.5Å; E99-K102 PolarHBondContact O-N 3.01Å; E99-L103 WeakPolarHBondContact O-CB 3.49Å; E99-L103 WeakPolarHBondContact O-CG 3.24Å; E99-L103 PolarHBondContact O-N 3.4Å
100	R	96.4	Very high	96.3	Very high	183 Å²	183	103.6 Å²	103.6	69%	0.691	52%	0.519	S	S	*	.	H	α-helix	trans	-57	-41.1	173.1	178.9	178.9	171.1	-179.2	-1.5	111.9	T96 Q104	T96-R100 VanDerWaalsContact O-CB 3.23Å; T96-R100 WeakPolarHBondContact O-CB 3.27Å; T96-R100 PolarHBondContact O-N 3.25Å; R100-Q104 VanDerWaalsContact O-CB 3.26Å; R100-Q104 WeakPolarHBondContact O-CB 3.42Å; R100-Q104 PolarHBondContact O-N 2.93Å
101	A	96.3	Very high	96.3	Very high	47 Å²	47	101.2 Å²	101.2	39%	0.388	51%	0.513	S	S	.	.	H	α-helix	trans	-65.4	-43.7	176.7	0	0	0	0	0	112.3	A97 R98 E99 Q104 I105	A97-A101 WeakPolarHBondContact O-CB 3.21Å; A97-A101 PolarHBondContact O-N 2.94Å; R98-A101 PolarHBondContact O-N 3.47Å; E99-A101 VanDerWaalsContact C-N 3.27Å; E99-A101 PolarHBondContact O-N 2.98Å; A101-Q104 PolarHBondContact O-N 2.89Å; A101-I105 WeakPolarHBondContact O-CG1 3.36Å; A101-I105 PolarHBondContact O-N 3.08Å
102	K	97	Very high	96.3	Very high	126 Å²	126	96.8 Å²	96.8	55%	0.548	51%	0.509	S	S	.	.	H	α-helix	trans	-58.2	-53.7	173.1	-71.1	170.4	-178.1	177.1	0	111.3	R98 E99 Q104 I105 E106	R98-K102 WeakPolarHBondContact O-CG 3.46Å; R98-K102 PolarHBondContact O-N 3.33Å; E99-K102 WeakPolarHBondContact O-CB 3.5Å; E99-K102 PolarHBondContact O-N 3.01Å; K102-Q104 PolarHBondContact O-N 2.97Å; K102-I105 WeakPolarHBondContact O-CB 3.5Å; K102-I105 PolarHBondContact O-N 3.43Å; K102-E106 WeakPolarHBondContact O-CG 3.36Å; K102-E106 PolarHBondContact O-N 3.4Å
103	L	96	Very high	96.4	Very high	108 Å²	108	98.3 Å²	98.3	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-60.5	-33.3	180	-69.4	170.7	0	0	0	112.4	E99 L107	E99-L103 WeakPolarHBondContact O-CB 3.49Å; E99-L103 WeakPolarHBondContact O-CG 3.24Å; E99-L103 PolarHBondContact O-N 3.4Å; L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 PolarHBondContact O-N 3.37Å
104	Q	96.4	Very high	96.4	Very high	131 Å²	131	98.1 Å²	98.1	61%	0.612	50%	0.503	S	S	*	.	H	α-helix	trans	-70.6	-36.1	174.5	-175.9	170.5	-18.7	0	0	112.5	R100 A101 K102 G108	R100-Q104 VanDerWaalsContact O-CB 3.26Å; R100-Q104 WeakPolarHBondContact O-CB 3.42Å; R100-Q104 PolarHBondContact O-N 2.93Å; A101-Q104 PolarHBondContact O-N 2.89Å; K102-Q104 PolarHBondContact O-N 2.97Å; Q104-G108 PolarHBondContact O-N 2.92Å
105	I	96.6	Very high	96.4	Very high	126 Å²	126	98.5 Å²	98.5	65%	0.646	50%	0.504	S	S	*	.	H	α-helix	trans	-69.5	-44.2	173.2	-67.3	164	0	0	0	110.5	A101 K102 G108 K109	A101-I105 WeakPolarHBondContact O-CG1 3.36Å; A101-I105 PolarHBondContact O-N 3.08Å; K102-I105 WeakPolarHBondContact O-CB 3.5Å; K102-I105 PolarHBondContact O-N 3.43Å; I105-G108 PolarHBondContact O-N 3.33Å; I105-K109 WeakPolarHBondContact O-CB 3.5Å; I105-K109 PolarHBondContact O-N 3.24Å
106	E	96.2	Very high	96.4	Very high	106 Å²	106	101.3 Å²	101.3	50%	0.495	52%	0.515	S	S	.	.	H	α-helix	trans	-62.7	-43.7	176.9	-72.2	167.6	-169.2	0	0	111.7	K102 G108 K109 C110	K102-E106 WeakPolarHBondContact O-CG 3.36Å; K102-E106 PolarHBondContact O-N 3.4Å; E106-G108 VanDerWaalsContact C-N 3.33Å; E106-G108 PolarHBondContact O-N 3.49Å; E106-K109 PolarHBondContact O-N 3.17Å; E106-C110 WeakPolarHBondContact O-CB 3.35Å; E106-C110 PolarHBondContact O-N 2.7Å; E106-C110 PolarHBondContact O-SG 2.85Å
107	L	95.8	Very high	96.5	Very high	96 Å²	96	102.9 Å²	102.9	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-62	-39.1	172.3	-179.7	63.2	0	0	0	112.1	L103 K111	L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 PolarHBondContact O-N 3.37Å; L107-K111 HydrophobicContact CD1-CD 4.49Å; L107-K111 HydrophobicContact CG-CD 4.39Å; L107-K111 WeakPolarHBondContact O-CB 3.45Å; L107-K111 VanDerWaalsContact O-CG 3.25Å; L107-K111 WeakPolarHBondContact O-CG 3.5Å; L107-K111 PolarHBondContact O-N 3.11Å
108	G	97	Very high	96.5	Very high	40 Å²	40	105 Å²	105	41%	0.412	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-44.2	174.1	0	0	0	0	0	112.4	Q104 I105 E106 K111 A112	Q104-G108 PolarHBondContact O-N 2.92Å; I105-G108 PolarHBondContact O-N 3.33Å; E106-G108 VanDerWaalsContact C-N 3.33Å; E106-G108 PolarHBondContact O-N 3.49Å; G108-K111 PolarHBondContact O-N 2.95Å; G108-A112 PolarHBondContact O-N 2.81Å
109	K	97.1	Very high	96.6	Very high	122 Å²	122	104.5 Å²	104.5	53%	0.53	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-52	175.8	-179.6	-175	165	-174	0	111.5	I105 E106 K111 A112 E113	I105-K109 WeakPolarHBondContact O-CB 3.5Å; I105-K109 PolarHBondContact O-N 3.24Å; E106-K109 PolarHBondContact O-N 3.17Å; K109-K111 PolarHBondContact O-N 3.08Å; K109-A112 PolarHBondContact O-N 3.35Å; K109-A112 VanDerWaalsContact O-N 3.11Å; K109-E113 VanDerWaalsContact CE-CD 3.43Å; K109-E113 WeakPolarHBondContact CE-OE1 3.34Å; K109-E113 HydrophobicContact CG-CG 4.44Å; K109-E113 IonicContact NZ-OE1 2.64Å; K109-E113 WeakPolarHBondContact O-CG 3.42Å; K109-E113 PolarHBondContact O-N 2.96Å
110	C	95.9	Very high	96.6	Very high	74 Å²	74	103 Å²	103	50%	0.5	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-31.4	-178.7	-63.4	0	0	0	0	112.2	E106 H114	E106-C110 WeakPolarHBondContact O-CB 3.35Å; E106-C110 PolarHBondContact O-N 2.7Å; E106-C110 PolarHBondContact O-SG 2.85Å; C110-H114 VanDerWaalsContact O-CB 3.27Å; C110-H114 WeakPolarHBondContact O-CB 3.36Å; C110-H114 PolarHBondContact O-N 2.97Å
111	K	96.7	Very high	96.6	Very high	120 Å²	120	101.3 Å²	101.3	52%	0.522	52%	0.521	S	S	.	.	H	α-helix	trans	-66.3	-49.9	170.5	-77.6	175.7	177.2	-174.5	0	111.9	L107 G108 K109 E113 H114 D115	L107-K111 HydrophobicContact CD1-CD 4.49Å; L107-K111 HydrophobicContact CG-CD 4.39Å; L107-K111 WeakPolarHBondContact O-CB 3.45Å; L107-K111 VanDerWaalsContact O-CG 3.25Å; L107-K111 WeakPolarHBondContact O-CG 3.5Å; L107-K111 PolarHBondContact O-N 3.11Å; G108-K111 PolarHBondContact O-N 2.95Å; K109-K111 PolarHBondContact O-N 3.08Å; K111-E113 VanDerWaalsContact C-N 3.3Å; K111-E113 PolarHBondContact O-N 3.23Å; K111-H114 WeakPolarHBondContact O-CB 3.39Å; K111-H114 PolarHBondContact O-N 3.3Å; K111-H114 VanDerWaalsContact O-N 3.09Å; K111-D115 VanDerWaalsContact O-CG 3.23Å; K111-D115 PolarHBondContact O-N 2.98Å
112	A	96.6	Very high	96.6	Very high	57 Å²	57	101.7 Å²	101.7	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-60.3	-39	177.5	0	0	0	0	0	112.5	G108 K109 Q116	G108-A112 PolarHBondContact O-N 2.81Å; K109-A112 PolarHBondContact O-N 3.35Å; K109-A112 VanDerWaalsContact O-N 3.11Å; A112-Q116 VanDerWaalsContact O-CB 3.27Å; A112-Q116 WeakPolarHBondContact O-CB 3.29Å; A112-Q116 PolarHBondContact O-N 2.86Å
113	E	96.8	Very high	96.7	Very high	87 Å²	87	101.7 Å²	101.7	41%	0.407	52%	0.523	S	S	.	.	H	α-helix	trans	-65.1	-41	173.3	-71.6	173.9	155.4	0	0	111.6	K109 K111 L117	K109-E113 VanDerWaalsContact CE-CD 3.43Å; K109-E113 WeakPolarHBondContact CE-OE1 3.34Å; K109-E113 HydrophobicContact CG-CG 4.44Å; K109-E113 IonicContact NZ-OE1 2.64Å; K109-E113 WeakPolarHBondContact O-CG 3.42Å; K109-E113 PolarHBondContact O-N 2.96Å; K111-E113 VanDerWaalsContact C-N 3.3Å; K111-E113 PolarHBondContact O-N 3.23Å; E113-L117 WeakPolarHBondContact O-CB 3.47Å; E113-L117 VanDerWaalsContact O-CG 3.23Å; E113-L117 WeakPolarHBondContact O-CG 3.43Å; E113-L117 PolarHBondContact O-N 3.46Å
114	H	96.2	Very high	96.7	Very high	109 Å²	109	103 Å²	103	51%	0.505	53%	0.525	S	S	.	.	H	α-helix	trans	-64.4	-48	174.7	-178	71.1	0	0	0	112.5	C110 K111 Q116 L117 L118	C110-H114 VanDerWaalsContact O-CB 3.27Å; C110-H114 WeakPolarHBondContact O-CB 3.36Å; C110-H114 PolarHBondContact O-N 2.97Å; K111-H114 WeakPolarHBondContact O-CB 3.39Å; K111-H114 PolarHBondContact O-N 3.3Å; K111-H114 VanDerWaalsContact O-N 3.09Å; H114-Q116 VanDerWaalsContact C-N 3.3Å; H114-Q116 PolarHBondContact O-N 3.06Å; H114-L117 PolarHBondContact O-N 3.46Å; H114-L117 VanDerWaalsContact O-N 3.13Å; H114-L118 WeakPolarHBondContact O-CG 3.34Å; H114-L118 PolarHBondContact O-N 3.33Å
115	D	96.9	Very high	96.7	Very high	98 Å²	98	101.1 Å²	101.1	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-39.2	178.5	-63.8	-27.7	0	0	0	111.1	K111 L118 L119	K111-D115 VanDerWaalsContact O-CG 3.23Å; K111-D115 PolarHBondContact O-N 2.98Å; D115-L118 PolarHBondContact O-N 3.37Å; D115-L119 PolarHBondContact O-N 2.88Å
116	Q	96.8	Very high	96.8	Very high	128 Å²	128	98.9 Å²	98.9	60%	0.598	51%	0.512	S	S	*	.	H	α-helix	trans	-67.4	-38.9	173.9	-170.8	178.3	16.1	0	0	112.2	A112 H114 L119 N120	A112-Q116 VanDerWaalsContact O-CB 3.27Å; A112-Q116 WeakPolarHBondContact O-CB 3.29Å; A112-Q116 PolarHBondContact O-N 2.86Å; H114-Q116 VanDerWaalsContact C-N 3.3Å; H114-Q116 PolarHBondContact O-N 3.06Å; Q116-L119 PolarHBondContact O-N 3.12Å; Q116-N120 WeakPolarHBondContact O-CB 3.32Å; Q116-N120 VanDerWaalsContact O-CG 3.3Å; Q116-N120 PolarHBondContact O-N 3.41Å; Q116-N120 PolarHBondContact O-ND2 2.89Å; Q116-N120 VanDerWaalsContact O-ND2 3.13Å
117	L	96.4	Very high	96.8	Very high	117 Å²	117	97.3 Å²	97.3	61%	0.613	51%	0.506	S	S	*	.	H	α-helix	trans	-66.3	-39.8	174.2	-76.2	168.9	0	0	0	112	E113 H114 N120 Y121	E113-L117 WeakPolarHBondContact O-CB 3.47Å; E113-L117 VanDerWaalsContact O-CG 3.23Å; E113-L117 WeakPolarHBondContact O-CG 3.43Å; E113-L117 PolarHBondContact O-N 3.46Å; H114-L117 PolarHBondContact O-N 3.46Å; H114-L117 VanDerWaalsContact O-N 3.13Å; L117-N120 PolarHBondContact O-N 3.1Å; L117-Y121 VanDerWaalsContact O-CB 3.31Å; L117-Y121 WeakPolarHBondContact O-CB 3.46Å; L117-Y121 PolarHBondContact O-N 2.92Å
118	L	97.3	Very high	96.9	Very high	91 Å²	91	97.5 Å²	97.5	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-45.1	174	-72.8	178.8	0	0	0	111.8	H114 D115 N120 Y121 A122	H114-L118 WeakPolarHBondContact O-CG 3.34Å; H114-L118 PolarHBondContact O-N 3.33Å; D115-L118 PolarHBondContact O-N 3.37Å; L118-N120 PolarHBondContact O-N 3.46Å; L118-Y121 PolarHBondContact O-N 3.39Å; L118-A122 WeakPolarHBondContact O-CB 3.19Å; L118-A122 PolarHBondContact O-N 3.19Å
119	L	96.9	Very high	96.9	Very high	119 Å²	119	99.1 Å²	99.1	62%	0.623	51%	0.507	S	S	*	.	H	α-helix	trans	-63.4	-41.9	176.8	-173.6	151.8	0	0	0	111.7	D115 Q116 K123	D115-L119 PolarHBondContact O-N 2.88Å; Q116-L119 PolarHBondContact O-N 3.12Å; L119-K123 WeakPolarHBondContact O-CB 3.25Å; L119-K123 PolarHBondContact O-N 2.94Å
120	N	97.1	Very high	96.9	Very high	77 Å²	77	94.9 Å²	94.9	41%	0.412	50%	0.497	S	S	.	.	H	α-helix	trans	-65.2	-40	174.9	-77.3	-35.3	0	0	0	112.3	Q116 L117 L118 K123 K124	Q116-N120 WeakPolarHBondContact O-CB 3.32Å; Q116-N120 VanDerWaalsContact O-CG 3.3Å; Q116-N120 PolarHBondContact O-N 3.41Å; Q116-N120 PolarHBondContact O-ND2 2.89Å; Q116-N120 VanDerWaalsContact O-ND2 3.13Å; L117-N120 PolarHBondContact O-N 3.1Å; L118-N120 PolarHBondContact O-N 3.46Å; N120-K123 PolarHBondContact O-N 2.89Å; N120-K124 WeakPolarHBondContact O-CG 3.49Å; N120-K124 PolarHBondContact O-N 3.36Å
121	Y	96.8	Very high	96.9	Very high	149 Å²	149	94 Å²	94	58%	0.584	50%	0.495	S	S	*	.	H	α-helix	trans	-63.5	-51.8	176	179.1	-86.3	0	0	0	111.1	L117 L118 K123 K124 E125	L117-Y121 VanDerWaalsContact O-CB 3.31Å; L117-Y121 WeakPolarHBondContact O-CB 3.46Å; L117-Y121 PolarHBondContact O-N 2.92Å; L118-Y121 PolarHBondContact O-N 3.39Å; Y121-K123 VanDerWaalsContact C-N 3.26Å; Y121-K123 PolarHBondContact O-N 3.01Å; Y121-K124 CarbonylContact O-C 3.58Å; Y121-K124 WeakPolarHBondContact O-CA 3.33Å; Y121-K124 PolarHBondContact O-N 2.89Å; Y121-E125 HydrophobicContact CE1-CB 4.37Å; Y121-E125 WeakPolarHBondContact CE1-OE2 3.27Å; Y121-E125 WeakPolarHBondContact O-CB 3.29Å; Y121-E125 PolarHBondContact O-N 3.45Å
122	A	97.2	Very high	97	Very high	54 Å²	54	91.4 Å²	91.4	45%	0.446	49%	0.485	S	S	.	.	H	α-helix	trans	-59.4	-36.7	178.2	0	0	0	0	0	112.2	L118 S126	L118-A122 WeakPolarHBondContact O-CB 3.19Å; L118-A122 PolarHBondContact O-N 3.19Å; A122-S126 WeakPolarHBondContact O-CB 3.3Å; A122-S126 PolarHBondContact O-N 3.1Å
123	K	97.3	Very high	97	Very high	126 Å²	126	93 Å²	93	55%	0.548	49%	0.485	S	S	.	.	H	α-helix	trans	-64.1	-43.5	171.2	-175.7	173	-179.5	176.6	0	112	L119 N120 Y121 S126 D127	L119-K123 WeakPolarHBondContact O-CB 3.25Å; L119-K123 PolarHBondContact O-N 2.94Å; N120-K123 PolarHBondContact O-N 2.89Å; Y121-K123 VanDerWaalsContact C-N 3.26Å; Y121-K123 PolarHBondContact O-N 3.01Å; K123-S126 WeakPolarHBondContact O-CB 3.3Å; K123-S126 PolarHBondContact O-N 3.27Å; K123-D127 VanDerWaalsContact O-CG 3.22Å; K123-D127 PolarHBondContact O-N 2.67Å
124	K	96.7	Very high	97.1	Very high	136 Å²	136	94.4 Å²	94.4	59%	0.591	49%	0.49	S	S	*	.	H	α-helix	trans	-69.2	-33.3	179	-74.8	-72.9	151.8	-139.6	0	113.3	N120 Y121 D127 L128	N120-K124 WeakPolarHBondContact O-CG 3.49Å; N120-K124 PolarHBondContact O-N 3.36Å; Y121-K124 CarbonylContact O-C 3.58Å; Y121-K124 WeakPolarHBondContact O-CA 3.33Å; Y121-K124 PolarHBondContact O-N 2.89Å; K124-D127 IonicContact NZ-OD2 3.37Å; K124-D127 PolarHBondContact NZ-OD2 3.07Å; K124-L128 WeakPolarHBondContact O-CB 3.39Å; K124-L128 PolarHBondContact O-N 3.05Å
125	E	97.1	Very high	97.1	Very high	91 Å²	91	94 Å²	94	43%	0.425	49%	0.491	S	S	.	.	H	α-helix	trans	-66.3	-41.3	171.5	-175.7	167.5	-144.4	0	0	111.2	Y121 L128 N129	Y121-E125 HydrophobicContact CE1-CB 4.37Å; Y121-E125 WeakPolarHBondContact CE1-OE2 3.27Å; Y121-E125 WeakPolarHBondContact O-CB 3.29Å; Y121-E125 PolarHBondContact O-N 3.45Å; E125-L128 PolarHBondContact O-N 3.36Å; E125-N129 WeakPolarHBondContact O-CB 3.42Å; E125-N129 VanDerWaalsContact O-CG 3.29Å; E125-N129 PolarHBondContact O-N 2.76Å; E125-N129 PolarHBondContact O-ND2 2.75Å; E125-N129 VanDerWaalsContact O-ND2 3.07Å
126	S	97.4	Very high	97.2	Very high	80 Å²	80	95.7 Å²	95.7	56%	0.559	49%	0.49	S	S	*	.	H	α-helix	trans	-64.1	-47.3	172.1	-168.8	0	0	0	0	112.5	A122 K123 L128 N129 G130	A122-S126 WeakPolarHBondContact O-CB 3.3Å; A122-S126 PolarHBondContact O-N 3.1Å; K123-S126 WeakPolarHBondContact O-CB 3.3Å; K123-S126 PolarHBondContact O-N 3.27Å; S126-L128 VanDerWaalsContact C-N 3.3Å; S126-L128 PolarHBondContact O-N 3.1Å; S126-N129 PolarHBondContact O-N 3.32Å; S126-G130 PolarHBondContact O-N 3.37Å
127	D	97.3	Very high	97.2	Very high	72 Å²	72	95 Å²	95	39%	0.385	49%	0.486	S	S	.	.	H	α-helix	trans	-55.7	-45	174.2	-69	-22.6	0	0	0	111	K123 K124 G130 A131	K123-D127 VanDerWaalsContact O-CG 3.22Å; K123-D127 PolarHBondContact O-N 2.67Å; K124-D127 IonicContact NZ-OD2 3.37Å; K124-D127 PolarHBondContact NZ-OD2 3.07Å; D127-G130 PolarHBondContact O-N 2.85Å; D127-A131 PolarHBondContact O-N 3.06Å
128	L	96.9	Very high	97.2	Very high	100 Å²	100	97.3 Å²	97.3	52%	0.524	49%	0.488	S	S	.	.	H	α-helix	trans	-66.3	-46	179.7	176.8	62.1	0	0	0	112	K124 E125 S126 G130 A131 Q132	K124-L128 WeakPolarHBondContact O-CB 3.39Å; K124-L128 PolarHBondContact O-N 3.05Å; E125-L128 PolarHBondContact O-N 3.36Å; S126-L128 VanDerWaalsContact C-N 3.3Å; S126-L128 PolarHBondContact O-N 3.1Å; L128-G130 VanDerWaalsContact C-N 3.33Å; L128-G130 PolarHBondContact O-N 2.76Å; L128-A131 WeakPolarHBondContact O-CB 3.39Å; L128-A131 PolarHBondContact O-N 2.91Å; L128-A131 VanDerWaalsContact O-N 3.16Å; L128-Q132 HydrophobicContact CD1-CG 4.49Å; L128-Q132 WeakPolarHBondContact O-CG 3.48Å; L128-Q132 PolarHBondContact O-N 3.47Å
129	N	97.3	Very high	97.3	Very high	75 Å²	75	97.5 Å²	97.5	40%	0.401	49%	0.486	S	S	.	.	H	α-helix	trans	-62.6	-41.1	177.2	-75.9	-37.5	0	0	0	111.2	E125 S126 A131 Q132 I133	E125-N129 WeakPolarHBondContact O-CB 3.42Å; E125-N129 VanDerWaalsContact O-CG 3.29Å; E125-N129 PolarHBondContact O-N 2.76Å; E125-N129 PolarHBondContact O-ND2 2.75Å; E125-N129 VanDerWaalsContact O-ND2 3.07Å; S126-N129 PolarHBondContact O-N 3.32Å; N129-A131 VanDerWaalsContact C-N 3.32Å; N129-A131 PolarHBondContact O-N 2.79Å; N129-Q132 PolarHBondContact O-N 3.4Å; N129-I133 WeakPolarHBondContact O-CG1 3.21Å; N129-I133 PolarHBondContact O-N 3.25Å
130	G	97.5	Very high	97.3	Very high	32 Å²	32	94.7 Å²	94.7	33%	0.33	48%	0.481	S	S	.	.	H	α-helix	trans	-62.3	-36	172.9	0	0	0	0	0	113.5	S126 D127 L128 K134	S126-G130 PolarHBondContact O-N 3.37Å; D127-G130 PolarHBondContact O-N 2.85Å; L128-G130 VanDerWaalsContact C-N 3.33Å; L128-G130 PolarHBondContact O-N 2.76Å; G130-K134 WeakPolarHBondContact O-CG 3.38Å; G130-K134 PolarHBondContact O-N 3.47Å
131	A	96.4	Very high	97.3	Very high	55 Å²	55	93.6 Å²	93.6	46%	0.455	48%	0.482	S	S	.	.	H	α-helix	trans	-69.9	-40.8	173.5	0	0	0	0	0	112.5	D127 L128 N129 I133 K134 L135	D127-A131 PolarHBondContact O-N 3.06Å; L128-A131 WeakPolarHBondContact O-CB 3.39Å; L128-A131 PolarHBondContact O-N 2.91Å; L128-A131 VanDerWaalsContact O-N 3.16Å; N129-A131 VanDerWaalsContact C-N 3.32Å; N129-A131 PolarHBondContact O-N 2.79Å; A131-I133 PolarHBondContact O-N 2.85Å; A131-K134 PolarHBondContact O-N 2.97Å; A131-L135 PolarHBondContact O-N 3.01Å
132	Q	97.6	Very high	97.4	Very high	66 Å²	66	91.2 Å²	91.2	31%	0.308	48%	0.479	S	S	.	.	H	α-helix	trans	-65.2	-35.1	176.5	-71.2	-175.5	24.3	0	0	113.2	L128 N129 L135 R136	L128-Q132 HydrophobicContact CD1-CG 4.49Å; L128-Q132 WeakPolarHBondContact O-CG 3.48Å; L128-Q132 PolarHBondContact O-N 3.47Å; N129-Q132 PolarHBondContact O-N 3.4Å; Q132-L135 PolarHBondContact O-N 3.2Å; Q132-R136 WeakPolarHBondContact O-CG 3.34Å; Q132-R136 PolarHBondContact O-N 2.79Å
133	I	97.6	Very high	97.4	Very high	90 Å²	90	93.8 Å²	93.8	46%	0.462	49%	0.485	S	S	.	.	H	α-helix	trans	-63.6	-49.7	175	-69.6	164.5	0	0	0	109.5	N129 A131 L135 R136 E137	N129-I133 WeakPolarHBondContact O-CG1 3.21Å; N129-I133 PolarHBondContact O-N 3.25Å; A131-I133 PolarHBondContact O-N 2.85Å; I133-L135 VanDerWaalsContact C-N 3.31Å; I133-L135 PolarHBondContact O-N 3.08Å; I133-R136 PolarHBondContact O-N 3.13Å; I133-R136 VanDerWaalsContact O-N 3.12Å; I133-E137 HydrophobicContact CG2-CG 4.46Å; I133-E137 WeakPolarHBondContact O-CG 3.31Å; I133-E137 PolarHBondContact O-N 2.97Å
134	K	97.8	Very high	97.5	Very high	118 Å²	118	91.7 Å²	91.7	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-36.8	176.9	-69.6	175.3	-178.9	-179.1	0	113.3	G130 A131 E137 Y138	G130-K134 WeakPolarHBondContact O-CG 3.38Å; G130-K134 PolarHBondContact O-N 3.47Å; A131-K134 PolarHBondContact O-N 2.97Å; K134-E137 PolarHBondContact O-N 3.28Å; K134-Y138 HydrophobicContact CB-CE2 4.21Å; K134-Y138 WeakPolarHBondContact O-CD2 3.33Å; K134-Y138 PolarHBondContact O-N 2.87Å
135	L	97.5	Very high	97.5	Very high	100 Å²	100	92.4 Å²	92.4	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-56.7	-52.1	173.2	-170.3	85.6	0	0	0	110.5	A131 Q132 I133 E137 Y138 E139	A131-L135 PolarHBondContact O-N 3.01Å; Q132-L135 PolarHBondContact O-N 3.2Å; I133-L135 VanDerWaalsContact C-N 3.31Å; I133-L135 PolarHBondContact O-N 3.08Å; L135-E137 VanDerWaalsContact C-N 3.32Å; L135-E137 PolarHBondContact O-N 2.86Å; L135-Y138 PolarHBondContact O-N 2.79Å; L135-Y138 VanDerWaalsContact O-N 3.17Å; L135-E139 WeakPolarHBondContact CD2-OE1 3.35Å; L135-E139 VanDerWaalsContact O-CG 3.31Å; L135-E139 WeakPolarHBondContact O-CG 3.43Å; L135-E139 PolarHBondContact O-N 3.35Å
136	R	97.8	Very high	97.5	Very high	134 Å²	134	92 Å²	92	51%	0.506	49%	0.49	S	S	.	.	H	α-helix	trans	-63.8	-35.5	179.5	-64.8	171.2	-169.3	117.3	5.7	112.5	Q132 I133 A140	Q132-R136 WeakPolarHBondContact O-CG 3.34Å; Q132-R136 PolarHBondContact O-N 2.79Å; I133-R136 PolarHBondContact O-N 3.13Å; I133-R136 VanDerWaalsContact O-N 3.12Å; R136-A140 VanDerWaalsContact O-CB 3.31Å; R136-A140 WeakPolarHBondContact O-CB 3.31Å; R136-A140 PolarHBondContact O-N 3.37Å
137	E	97.6	Very high	97.6	Very high	112 Å²	112	90.9 Å²	90.9	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-63.1	-44.8	173	-70.5	169.8	168.8	0	0	111.6	I133 K134 L135 A140 A141	I133-E137 HydrophobicContact CG2-CG 4.46Å; I133-E137 WeakPolarHBondContact O-CG 3.31Å; I133-E137 PolarHBondContact O-N 2.97Å; K134-E137 PolarHBondContact O-N 3.28Å; L135-E137 VanDerWaalsContact C-N 3.32Å; L135-E137 PolarHBondContact O-N 2.86Å; E137-A140 PolarHBondContact O-N 2.96Å; E137-A141 WeakPolarHBondContact O-CB 3.38Å; E137-A141 PolarHBondContact O-N 3.5Å
138	Y	97.3	Very high	97.6	Very high	166 Å²	166	90.1 Å²	90.1	65%	0.651	49%	0.49	S	S	*	.	H	α-helix	trans	-69.8	-37.7	176.5	-65.8	-46.4	0	0	0	112.8	K134 L135 A141 L142	K134-Y138 HydrophobicContact CB-CE2 4.21Å; K134-Y138 WeakPolarHBondContact O-CD2 3.33Å; K134-Y138 PolarHBondContact O-N 2.87Å; L135-Y138 PolarHBondContact O-N 2.79Å; L135-Y138 VanDerWaalsContact O-N 3.17Å; Y138-A141 PolarHBondContact O-N 3Å; Y138-L142 WeakPolarHBondContact O-CB 3.27Å; Y138-L142 PolarHBondContact O-N 3.15Å
139	E	97.8	Very high	97.6	Very high	95 Å²	95	90.2 Å²	90.2	44%	0.444	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-45.3	172.9	-72.3	167.6	165.2	0	0	111.2	L135 L142 N143	L135-E139 WeakPolarHBondContact CD2-OE1 3.35Å; L135-E139 VanDerWaalsContact O-CG 3.31Å; L135-E139 WeakPolarHBondContact O-CG 3.43Å; L135-E139 PolarHBondContact O-N 3.35Å; E139-L142 PolarHBondContact O-N 2.87Å; E139-N143 WeakPolarHBondContact O-CB 3.43Å; E139-N143 VanDerWaalsContact O-CG 3.32Å; E139-N143 PolarHBondContact O-N 3.47Å; E139-N143 PolarHBondContact O-ND2 2.85Å
140	A	97.7	Very high	97.7	Very high	61 Å²	61	89.6 Å²	89.6	50%	0.504	50%	0.496	S	S	.	.	H	α-helix	trans	-64.3	-40.8	175.6	0	0	0	0	0	112.2	R136 E137 S144	R136-A140 VanDerWaalsContact O-CB 3.31Å; R136-A140 WeakPolarHBondContact O-CB 3.31Å; R136-A140 PolarHBondContact O-N 3.37Å; E137-A140 PolarHBondContact O-N 2.96Å; A140-S144 WeakPolarHBondContact O-CB 3.3Å; A140-S144 PolarHBondContact O-N 2.97Å
141	A	97.8	Very high	97.7	Very high	53 Å²	53	92.1 Å²	92.1	44%	0.438	51%	0.505	S	S	.	.	H	α-helix	trans	-65.3	-40.2	175.9	0	0	0	0	0	112.4	E137 Y138 S144 K145	E137-A141 WeakPolarHBondContact O-CB 3.38Å; E137-A141 PolarHBondContact O-N 3.5Å; Y138-A141 PolarHBondContact O-N 3Å; A141-S144 PolarHBondContact O-N 2.79Å; A141-K145 WeakPolarHBondContact O-CG 3.44Å; A141-K145 PolarHBondContact O-N 3.25Å
142	L	97.6	Very high	97.7	Very high	100 Å²	100	92.1 Å²	92.1	52%	0.524	51%	0.505	S	S	.	.	H	α-helix	trans	-62.9	-53.4	175.5	179	60.5	0	0	0	110.8	Y138 E139 S144 K145 D146	Y138-L142 WeakPolarHBondContact O-CB 3.27Å; Y138-L142 PolarHBondContact O-N 3.15Å; E139-L142 PolarHBondContact O-N 2.87Å; L142-S144 PolarHBondContact O-N 2.77Å; L142-K145 CarbonylContact O-C 3.54Å; L142-K145 WeakPolarHBondContact O-CA 3.38Å; L142-K145 WeakPolarHBondContact O-CB 3.4Å; L142-K145 PolarHBondContact O-N 3.12Å; L142-D146 PolarHBondContact O-N 2.62Å
143	N	98	Very high	97.7	Very high	108 Å²	108	93.2 Å²	93.2	58%	0.578	51%	0.512	S	S	*	.	H	α-helix	trans	-55.7	-37.7	176.6	-72.5	-49.7	0	0	0	112.4	E139 A147	E139-N143 WeakPolarHBondContact O-CB 3.43Å; E139-N143 VanDerWaalsContact O-CG 3.32Å; E139-N143 PolarHBondContact O-N 3.47Å; E139-N143 PolarHBondContact O-ND2 2.85Å; N143-A147 WeakPolarHBondContact O-CB 3.5Å; N143-A147 PolarHBondContact O-N 3.41Å
144	S	98.1	Very high	97.8	Very high	81 Å²	81	90.7 Å²	90.7	57%	0.566	51%	0.509	S	S	*	.	H	α-helix	trans	-66.9	-37.2	174.6	177.7	0	0	0	0	113	A140 A141 L142 A148	A140-S144 WeakPolarHBondContact O-CB 3.3Å; A140-S144 PolarHBondContact O-N 2.97Å; A141-S144 PolarHBondContact O-N 2.79Å; L142-S144 PolarHBondContact O-N 2.77Å; S144-A148 WeakPolarHBondContact O-CB 3.36Å; S144-A148 PolarHBondContact O-N 3.25Å; S144-A148 VanDerWaalsContact O-N 3.12Å
145	K	97.5	Very high	97.8	Very high	152 Å²	152	89.3 Å²	89.3	66%	0.661	51%	0.507	S	S	*	.	H	α-helix	trans	-71.6	-41.2	175.6	-71	-67.1	-178.6	-176.9	0	112.2	A141 L142 A148 L149	A141-K145 WeakPolarHBondContact O-CG 3.44Å; A141-K145 PolarHBondContact O-N 3.25Å; L142-K145 CarbonylContact O-C 3.54Å; L142-K145 WeakPolarHBondContact O-CA 3.38Å; L142-K145 WeakPolarHBondContact O-CB 3.4Å; L142-K145 PolarHBondContact O-N 3.12Å; K145-A148 PolarHBondContact O-N 2.83Å; K145-L149 VanDerWaalsContact O-CB 3.32Å; K145-L149 WeakPolarHBondContact O-CB 3.38Å; K145-L149 PolarHBondContact O-N 3.22Å
146	D	98	Very high	97.8	Very high	81 Å²	81	89.5 Å²	89.5	43%	0.433	50%	0.503	S	S	.	.	H	α-helix	trans	-65.8	-39.9	177.6	-67.5	-25.5	0	0	0	111.4	L142 L149 A150	L142-D146 PolarHBondContact O-N 2.62Å; D146-L149 PolarHBondContact O-N 3.22Å; D146-A150 WeakPolarHBondContact O-CB 3.29Å; D146-A150 PolarHBondContact O-N 3.25Å
147	A	98.1	Very high	97.8	Very high	57 Å²	57	90.1 Å²	90.1	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-62.2	-45.4	172.1	0	0	0	0	0	112.3	N143 L149 A150 T151	N143-A147 WeakPolarHBondContact O-CB 3.5Å; N143-A147 PolarHBondContact O-N 3.41Å; A147-L149 VanDerWaalsContact C-N 3.33Å; A147-L149 PolarHBondContact O-N 2.84Å; A147-A150 PolarHBondContact O-N 2.92Å; A147-T151 PolarHBondContact O-N 2.71Å; A147-T151 PolarHBondContact O-OG1 3.43Å
148	A	97.8	Very high	97.8	Very high	57 Å²	57	87.7 Å²	87.7	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-36.6	177	0	0	0	0	0	112.7	S144 K145 A152	S144-A148 WeakPolarHBondContact O-CB 3.36Å; S144-A148 PolarHBondContact O-N 3.25Å; S144-A148 VanDerWaalsContact O-N 3.12Å; K145-A148 PolarHBondContact O-N 2.83Å; A148-A152 WeakPolarHBondContact O-CB 3.29Å; A148-A152 PolarHBondContact O-N 2.96Å
149	L	97.6	Very high	97.8	Very high	101 Å²	101	84.7 Å²	84.7	53%	0.529	50%	0.5	S	S	.	.	H	α-helix	trans	-66.8	-41.8	174.4	-175.6	154.8	0	0	0	111.1	K145 D146 A147 A152 L153	K145-L149 VanDerWaalsContact O-CB 3.32Å; K145-L149 WeakPolarHBondContact O-CB 3.38Å; K145-L149 PolarHBondContact O-N 3.22Å; D146-L149 PolarHBondContact O-N 3.22Å; A147-L149 VanDerWaalsContact C-N 3.33Å; A147-L149 PolarHBondContact O-N 2.84Å; L149-A152 PolarHBondContact O-N 3.44Å; L149-L153 HydrophobicContact CD2-CD1 3.58Å; L149-L153 HydrophobicContact CD2-CG 4.11Å; L149-L153 WeakPolarHBondContact O-CB 3.13Å; L149-L153 WeakPolarHBondContact O-CG 3.28Å; L149-L153 PolarHBondContact O-N 3.13Å
150	A	98.1	Very high	97.8	Very high	63 Å²	63	84.7 Å²	84.7	52%	0.521	50%	0.5	S	S	.	.	H	α-helix	trans	-61.6	-43.7	175.8	0	0	0	0	0	112	D146 A147 L153 G154	D146-A150 WeakPolarHBondContact O-CB 3.29Å; D146-A150 PolarHBondContact O-N 3.25Å; A147-A150 PolarHBondContact O-N 2.92Å; A150-L153 PolarHBondContact O-N 2.87Å; A150-G154 PolarHBondContact O-N 2.82Å
151	T	98.1	Very high	97.9	Very high	84 Å²	84	83.4 Å²	83.4	52%	0.515	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-50.8	173.1	-55.8	0	0	0	0	111.2	A147 L153 G154 D155	A147-T151 PolarHBondContact O-N 2.71Å; A147-T151 PolarHBondContact O-OG1 3.43Å; T151-L153 VanDerWaalsContact C-N 3.27Å; T151-L153 PolarHBondContact O-N 3.47Å; T151-G154 CarbonylContact O-C 3.59Å; T151-G154 VanDerWaalsContact O-CA 3.29Å; T151-G154 WeakPolarHBondContact O-CA 3.15Å; T151-G154 PolarHBondContact O-N 2.93Å; T151-D155 VanDerWaalsContact O-CG 3.32Å; T151-D155 PolarHBondContact O-N 2.8Å
152	A	97.1	Very high	97.9	Very high	56 Å²	56	84.9 Å²	84.9	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-30.7	-179.8	0	0	0	0	0	113.6	A148 L149 K156	A148-A152 WeakPolarHBondContact O-CB 3.29Å; A148-A152 PolarHBondContact O-N 2.96Å; L149-A152 PolarHBondContact O-N 3.44Å; A152-K156 WeakPolarHBondContact O-CB 3.35Å; A152-K156 PolarHBondContact O-N 3.5Å
153	L	97.9	Very high	97.9	Very high	89 Å²	89	85 Å²	85	47%	0.466	49%	0.494	S	S	.	.	H	α-helix	trans	-75.2	-23	170.6	-72.7	-176.6	0	0	0	113.5	L149 A150 T151 K157	L149-L153 HydrophobicContact CD2-CD1 3.58Å; L149-L153 HydrophobicContact CD2-CG 4.11Å; L149-L153 WeakPolarHBondContact O-CB 3.13Å; L149-L153 WeakPolarHBondContact O-CG 3.28Å; L149-L153 PolarHBondContact O-N 3.13Å; A150-L153 PolarHBondContact O-N 2.87Å; T151-L153 VanDerWaalsContact C-N 3.27Å; T151-L153 PolarHBondContact O-N 3.47Å; L153-K157 WeakPolarHBondContact O-CD 3.2Å; L153-K157 VanDerWaalsContact O-CG 3.26Å; L153-K157 WeakPolarHBondContact O-CG 3.48Å; L153-K157 PolarHBondContact O-N 3.44Å
154	G	98.1	Very high	97.9	Very high	37 Å²	37	84.6 Å²	84.6	38%	0.381	49%	0.488	S	S	.	.	H	α-helix	trans	-70.9	-56.3	167.9	0	0	0	0	0	110.9	A150 T151 K156 K157 S158	A150-G154 PolarHBondContact O-N 2.82Å; T151-G154 CarbonylContact O-C 3.59Å; T151-G154 VanDerWaalsContact O-CA 3.29Å; T151-G154 WeakPolarHBondContact O-CA 3.15Å; T151-G154 PolarHBondContact O-N 2.93Å; G154-K156 VanDerWaalsContact C-N 3.26Å; G154-K156 PolarHBondContact O-N 3.36Å; G154-K157 WeakPolarHBondContact O-CA 3.36Å; G154-K157 WeakPolarHBondContact O-CB 3.42Å; G154-K157 PolarHBondContact O-N 2.84Å; G154-S158 PolarHBondContact O-N 2.86Å; G154-S158 PolarHBondContact O-OG 3.3Å
155	D	97.8	Very high	97.9	Very high	89 Å²	89	85.6 Å²	85.6	48%	0.476	49%	0.487	S	S	.	.	H	α-helix	trans	-56.2	-41.1	179.7	-56.3	-25.3	0	0	0	111.7	T151 K157 S158 L159	T151-D155 VanDerWaalsContact O-CG 3.32Å; T151-D155 PolarHBondContact O-N 2.8Å; D155-K157 VanDerWaalsContact C-N 3.34Å; D155-K157 PolarHBondContact O-N 3.21Å; D155-S158 WeakPolarHBondContact CA-OG 3.34Å; D155-S158 PolarHBondContact O-N 3.08Å; D155-S158 PolarHBondContact O-OG 3.43Å; D155-L159 WeakPolarHBondContact O-CB 3.36Å; D155-L159 VanDerWaalsContact O-CG 3.29Å; D155-L159 WeakPolarHBondContact O-CG 3.22Å; D155-L159 PolarHBondContact O-N 2.84Å
156	K	97.9	Very high	97.9	Very high	103 Å²	103	82.7 Å²	82.7	45%	0.448	48%	0.478	S	S	.	.	H	α-helix	trans	-59.2	-42.3	173.5	178.2	175.5	178	-71.3	0	112.1	A152 G154 L159 E160	A152-K156 WeakPolarHBondContact O-CB 3.35Å; A152-K156 PolarHBondContact O-N 3.5Å; G154-K156 VanDerWaalsContact C-N 3.26Å; G154-K156 PolarHBondContact O-N 3.36Å; K156-L159 PolarHBondContact O-N 2.82Å; K156-E160 HydrophobicContact CG-CG 4.46Å; K156-E160 IonicContact NZ-OE1 3.64Å; K156-E160 PolarHBondContact NZ-OE1 3.18Å; K156-E160 IonicContact NZ-OE2 3.89Å; K156-E160 PolarHBondContact NZ-OE2 2.93Å; K156-E160 WeakPolarHBondContact O-CB 3.48Å; K156-E160 VanDerWaalsContact O-CG 3.31Å; K156-E160 WeakPolarHBondContact O-CG 3.12Å; K156-E160 PolarHBondContact O-N 2.94Å
157	K	98.1	Very high	97.9	Very high	147 Å²	147	84.1 Å²	84.1	64%	0.639	48%	0.481	S	S	*	.	H	α-helix	trans	-71.8	-36	-178.7	-75.9	171.7	-177.9	178.3	0	112.8	L153 G154 D155 E160 G161	L153-K157 WeakPolarHBondContact O-CD 3.2Å; L153-K157 VanDerWaalsContact O-CG 3.26Å; L153-K157 WeakPolarHBondContact O-CG 3.48Å; L153-K157 PolarHBondContact O-N 3.44Å; G154-K157 WeakPolarHBondContact O-CA 3.36Å; G154-K157 WeakPolarHBondContact O-CB 3.42Å; G154-K157 PolarHBondContact O-N 2.84Å; D155-K157 VanDerWaalsContact C-N 3.34Å; D155-K157 PolarHBondContact O-N 3.21Å; K157-E160 PolarHBondContact O-N 3.31Å; K157-G161 PolarHBondContact O-N 2.88Å; K157-G161 VanDerWaalsContact O-N 3.09Å
158	S	97.9	Very high	97.9	Very high	61 Å²	61	86.5 Å²	86.5	43%	0.427	49%	0.486	S	S	.	.	H	α-helix	trans	-64.6	-46.2	171.6	42.7	0	0	0	0	110.7	G154 D155 E160 G161 D162	G154-S158 PolarHBondContact O-N 2.86Å; G154-S158 PolarHBondContact O-OG 3.3Å; D155-S158 WeakPolarHBondContact CA-OG 3.34Å; D155-S158 PolarHBondContact O-N 3.08Å; D155-S158 PolarHBondContact O-OG 3.43Å; S158-E160 VanDerWaalsContact C-N 3.31Å; S158-E160 PolarHBondContact O-N 2.78Å; S158-G161 CarbonylContact O-C 3.55Å; S158-G161 WeakPolarHBondContact O-CA 3.23Å; S158-G161 PolarHBondContact O-N 3.31Å; S158-D162 VanDerWaalsContact O-CG 3.27Å; S158-D162 PolarHBondContact O-N 3.39Å
159	L	97.6	Very high	97.9	Very high	104 Å²	104	88.7 Å²	88.7	55%	0.545	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-32.9	177	-69.2	169.5	0	0	0	113	D155 K156 G161 L163	D155-L159 WeakPolarHBondContact O-CB 3.36Å; D155-L159 VanDerWaalsContact O-CG 3.29Å; D155-L159 WeakPolarHBondContact O-CG 3.22Å; D155-L159 PolarHBondContact O-N 2.84Å; K156-L159 PolarHBondContact O-N 2.82Å; L159-G161 VanDerWaalsContact C-N 3.32Å; L159-L163 VanDerWaalsContact O-CB 3.28Å; L159-L163 WeakPolarHBondContact O-CB 3.33Å; L159-L163 WeakPolarHBondContact O-CD1 3.43Å; L159-L163 WeakPolarHBondContact O-CG 3.47Å; L159-L163 PolarHBondContact O-N 3.4Å
160	E	97.9	Very high	97.9	Very high	95 Å²	95	88.4 Å²	88.4	44%	0.444	48%	0.484	S	S	.	.	H	α-helix	trans	-67.8	-30.4	171.4	-78	175.8	139.2	0	0	112.6	K156 K157 S158 E164	K156-E160 HydrophobicContact CG-CG 4.46Å; K156-E160 IonicContact NZ-OE1 3.64Å; K156-E160 PolarHBondContact NZ-OE1 3.18Å; K156-E160 IonicContact NZ-OE2 3.89Å; K156-E160 PolarHBondContact NZ-OE2 2.93Å; K156-E160 WeakPolarHBondContact O-CB 3.48Å; K156-E160 VanDerWaalsContact O-CG 3.31Å; K156-E160 WeakPolarHBondContact O-CG 3.12Å; K156-E160 PolarHBondContact O-N 2.94Å; K157-E160 PolarHBondContact O-N 3.31Å; S158-E160 VanDerWaalsContact C-N 3.31Å; S158-E160 PolarHBondContact O-N 2.78Å; E160-E164 PolarHBondContact O-N 3.41Å
161	G	98	Very high	97.9	Very high	33 Å²	33	87.9 Å²	87.9	34%	0.34	48%	0.48	S	S	.	.	H	α-helix	trans	-72.1	-51.1	170.3	0	0	0	0	0	112.6	K157 S158 L159 L163 E164 D165	K157-G161 PolarHBondContact O-N 2.88Å; K157-G161 VanDerWaalsContact O-N 3.09Å; S158-G161 CarbonylContact O-C 3.55Å; S158-G161 WeakPolarHBondContact O-CA 3.23Å; S158-G161 PolarHBondContact O-N 3.31Å; L159-G161 VanDerWaalsContact C-N 3.32Å; G161-L163 PolarHBondContact O-N 3.05Å; G161-E164 PolarHBondContact O-N 2.82Å; G161-D165 PolarHBondContact O-N 3.28Å
162	D	97.8	Very high	97.9	Very high	85 Å²	85	90.9 Å²	90.9	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-54.5	-37.9	176.7	-60.2	-35.9	0	0	0	111.3	S158 L166	S158-D162 VanDerWaalsContact O-CG 3.27Å; S158-D162 PolarHBondContact O-N 3.39Å; D162-L166 WeakPolarHBondContact O-CB 3.47Å; D162-L166 WeakPolarHBondContact O-CD1 3.41Å; D162-L166 WeakPolarHBondContact O-CG 3.46Å; D162-L166 PolarHBondContact O-N 3.5Å
163	L	97.8	Very high	97.9	Very high	103 Å²	103	93.8 Å²	93.8	54%	0.539	50%	0.495	S	S	.	.	H	α-helix	trans	-71.3	-24.4	175.9	-77.4	171.3	0	0	0	114.2	L159 G161 K167	L159-L163 VanDerWaalsContact O-CB 3.28Å; L159-L163 WeakPolarHBondContact O-CB 3.33Å; L159-L163 WeakPolarHBondContact O-CD1 3.43Å; L159-L163 WeakPolarHBondContact O-CG 3.47Å; L159-L163 PolarHBondContact O-N 3.4Å; G161-L163 PolarHBondContact O-N 3.05Å; L163-K167 WeakPolarHBondContact O-CD 3.23Å; L163-K167 VanDerWaalsContact O-CE 3.28Å; L163-K167 WeakPolarHBondContact O-CE 3.33Å; L163-K167 VanDerWaalsContact O-CG 3.25Å; L163-K167 WeakPolarHBondContact O-CG 3.48Å; L163-K167 PolarHBondContact O-N 2.81Å
164	E	98	Very high	97.9	Very high	98 Å²	98	95.7 Å²	95.7	46%	0.458	50%	0.502	S	S	.	.	H	α-helix	trans	-81.4	-46.3	173.6	-151	69.5	-165.9	0	0	110.3	E160 G161 L166 K167 D168	E160-E164 PolarHBondContact O-N 3.41Å; G161-E164 PolarHBondContact O-N 2.82Å; E164-L166 PolarHBondContact O-N 2.85Å; E164-K167 WeakPolarHBondContact O-CA 3.29Å; E164-K167 WeakPolarHBondContact O-CB 3.33Å; E164-K167 PolarHBondContact O-N 3.34Å; E164-K167 IonicContact OE1-NZ 3.73Å; E164-K167 IonicContact OE2-NZ 2.81Å; E164-K167 PolarHBondContact OE2-NZ 3.35Å; E164-D168 PolarHBondContact O-N 2.83Å
165	D	98	Very high	97.9	Very high	103 Å²	103	96.9 Å²	96.9	55%	0.551	51%	0.508	S	S	*	.	H	α-helix	trans	-55.6	-36.3	174.1	-77.9	1	0	0	0	111.8	G161 Q169	G161-D165 PolarHBondContact O-N 3.28Å; D165-Q169 VanDerWaalsContact O-CG 3.28Å; D165-Q169 WeakPolarHBondContact O-CG 3.18Å; D165-Q169 PolarHBondContact O-N 2.9Å; D165-Q169 VanDerWaalsContact O-N 3.12Å; D165-Q169 PolarHBondContact O-NE2 3.47Å
166	L	97.4	Very high	98	Very high	91 Å²	91	95.8 Å²	95.8	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-72.4	-32.5	174.3	-76	170.2	0	0	0	113.5	D162 E164 I170	D162-L166 WeakPolarHBondContact O-CB 3.47Å; D162-L166 WeakPolarHBondContact O-CD1 3.41Å; D162-L166 WeakPolarHBondContact O-CG 3.46Å; D162-L166 PolarHBondContact O-N 3.5Å; E164-L166 PolarHBondContact O-N 2.85Å; L166-I170 WeakPolarHBondContact O-CD1 3.23Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.17Å; L166-I170 PolarHBondContact O-N 3.46Å
167	K	98.1	Very high	97.9	Very high	111 Å²	111	95.3 Å²	95.3	48%	0.483	51%	0.509	S	S	.	.	H	α-helix	trans	-67.8	-44.1	173.1	-71	162.9	-157.7	163.3	0	111	L163 E164 Q169 I170 A171	L163-K167 WeakPolarHBondContact O-CD 3.23Å; L163-K167 VanDerWaalsContact O-CE 3.28Å; L163-K167 WeakPolarHBondContact O-CE 3.33Å; L163-K167 VanDerWaalsContact O-CG 3.25Å; L163-K167 WeakPolarHBondContact O-CG 3.48Å; L163-K167 PolarHBondContact O-N 2.81Å; E164-K167 WeakPolarHBondContact O-CA 3.29Å; E164-K167 WeakPolarHBondContact O-CB 3.33Å; E164-K167 PolarHBondContact O-N 3.34Å; E164-K167 IonicContact OE1-NZ 3.73Å; E164-K167 IonicContact OE2-NZ 2.81Å; E164-K167 PolarHBondContact OE2-NZ 3.35Å; K167-Q169 VanDerWaalsContact C-N 3.32Å; K167-Q169 PolarHBondContact O-N 3.39Å; K167-I170 PolarHBondContact O-N 2.96Å; K167-I170 VanDerWaalsContact O-N 3.14Å; K167-A171 WeakPolarHBondContact O-CB 3.36Å; K167-A171 PolarHBondContact O-N 2.76Å
168	D	98.1	Very high	98	Very high	107 Å²	107	91.1 Å²	91.1	57%	0.572	50%	0.502	S	S	*	.	H	α-helix	trans	-63.2	-40.1	178.7	-84.8	-1.7	0	0	0	111.1	E164 A171 Q172	E164-D168 PolarHBondContact O-N 2.83Å; D168-A171 PolarHBondContact O-N 3.02Å; D168-Q172 VanDerWaalsContact O-CB 3.32Å; D168-Q172 WeakPolarHBondContact O-CB 3.43Å; D168-Q172 PolarHBondContact O-N 3.43Å
169	Q	97.9	Very high	98	Very high	102 Å²	102	90.6 Å²	90.6	48%	0.477	50%	0.502	S	S	.	.	H	α-helix	trans	-60.8	-44.5	170.7	-76.7	168.7	73.6	0	0	112.6	D165 K167 Q172 L173	D165-Q169 VanDerWaalsContact O-CG 3.28Å; D165-Q169 WeakPolarHBondContact O-CG 3.18Å; D165-Q169 PolarHBondContact O-N 2.9Å; D165-Q169 VanDerWaalsContact O-N 3.12Å; D165-Q169 PolarHBondContact O-NE2 3.47Å; K167-Q169 VanDerWaalsContact C-N 3.32Å; K167-Q169 PolarHBondContact O-N 3.39Å; Q169-Q172 PolarHBondContact O-N 2.91Å; Q169-L173 WeakPolarHBondContact O-CB 3.14Å; Q169-L173 VanDerWaalsContact O-CG 3.26Å; Q169-L173 WeakPolarHBondContact O-CG 3.39Å; Q169-L173 PolarHBondContact O-N 3.34Å
170	I	97.5	Very high	98	Very high	95 Å²	95	88.2 Å²	88.2	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-62.2	-47.9	176.5	-71.8	164.1	0	0	0	110.6	L166 K167 Q172 L173 E174	L166-I170 WeakPolarHBondContact O-CD1 3.23Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.17Å; L166-I170 PolarHBondContact O-N 3.46Å; K167-I170 PolarHBondContact O-N 2.96Å; K167-I170 VanDerWaalsContact O-N 3.14Å; I170-Q172 VanDerWaalsContact C-N 3.34Å; I170-Q172 PolarHBondContact O-N 2.83Å; I170-L173 PolarHBondContact O-N 3.08Å; I170-E174 HydrophobicContact CG2-CG 4.36Å; I170-E174 WeakPolarHBondContact O-CG 3.42Å; I170-E174 PolarHBondContact O-N 2.74Å
171	A	98.2	Very high	98	Very high	53 Å²	53	90.3 Å²	90.3	44%	0.438	50%	0.504	S	S	.	.	H	α-helix	trans	-61.9	-39.7	178.9	0	0	0	0	0	112.3	K167 D168 A175	K167-A171 WeakPolarHBondContact O-CB 3.36Å; K167-A171 PolarHBondContact O-N 2.76Å; D168-A171 PolarHBondContact O-N 3.02Å; A171-A175 WeakPolarHBondContact O-CB 3.23Å; A171-A175 PolarHBondContact O-N 2.87Å
172	Q	98.1	Very high	98	Very high	147 Å²	147	94.7 Å²	94.7	69%	0.687	51%	0.514	S	S	*	.	H	α-helix	trans	-65.1	-41.4	174.3	-170.6	179	21.5	0	0	111.9	D168 Q169 I170 A175 S176	D168-Q172 VanDerWaalsContact O-CB 3.32Å; D168-Q172 WeakPolarHBondContact O-CB 3.43Å; D168-Q172 PolarHBondContact O-N 3.43Å; Q169-Q172 PolarHBondContact O-N 2.91Å; I170-Q172 VanDerWaalsContact C-N 3.34Å; I170-Q172 PolarHBondContact O-N 2.83Å; Q172-A175 PolarHBondContact O-N 3.07Å; Q172-S176 WeakPolarHBondContact O-CB 3.28Å; Q172-S176 PolarHBondContact O-N 3.05Å
173	L	97.9	Very high	98	Very high	116 Å²	116	96.7 Å²	96.7	61%	0.607	52%	0.52	S	S	*	.	H	α-helix	trans	-65.9	-45	176	-73.5	170	0	0	0	111.7	Q169 I170 A175 S176 L177	Q169-L173 WeakPolarHBondContact O-CB 3.14Å; Q169-L173 VanDerWaalsContact O-CG 3.26Å; Q169-L173 WeakPolarHBondContact O-CG 3.39Å; Q169-L173 PolarHBondContact O-N 3.34Å; I170-L173 PolarHBondContact O-N 3.08Å; L173-A175 PolarHBondContact O-N 3.12Å; L173-S176 PolarHBondContact O-N 2.9Å; L173-S176 PolarHBondContact O-OG 3.45Å; L173-L177 WeakPolarHBondContact O-CB 3.34Å; L173-L177 PolarHBondContact O-N 3.41Å
174	E	98.1	Very high	98	Very high	129 Å²	129	97.3 Å²	97.3	60%	0.603	52%	0.524	S	S	*	.	H	α-helix	trans	-59.3	-43.5	174.8	-74.2	-174.2	161.5	0	0	112.1	I170 L177 A178	I170-E174 HydrophobicContact CG2-CG 4.36Å; I170-E174 WeakPolarHBondContact O-CG 3.42Å; I170-E174 PolarHBondContact O-N 2.74Å; E174-L177 PolarHBondContact O-N 3.45Å; E174-A178 WeakPolarHBondContact O-CB 3.21Å; E174-A178 PolarHBondContact O-N 3.04Å
175	A	98.4	Very high	98	Very high	63 Å²	63	95.1 Å²	95.1	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-62.9	-41.9	175.1	0	0	0	0	0	112.1	A171 Q172 L173 A178 A179	A171-A175 WeakPolarHBondContact O-CB 3.23Å; A171-A175 PolarHBondContact O-N 2.87Å; Q172-A175 PolarHBondContact O-N 3.07Å; L173-A175 PolarHBondContact O-N 3.12Å; A175-A178 PolarHBondContact O-N 2.62Å; A175-A179 PolarHBondContact O-N 3.33Å
176	S	98.3	Very high	98	Very high	65 Å²	65	93.9 Å²	93.9	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-38.9	176.4	79.2	0	0	0	0	112.3	Q172 L173 A179 A180	Q172-S176 WeakPolarHBondContact O-CB 3.28Å; Q172-S176 PolarHBondContact O-N 3.05Å; L173-S176 PolarHBondContact O-N 2.9Å; L173-S176 PolarHBondContact O-OG 3.45Å; S176-A179 PolarHBondContact O-N 2.82Å; S176-A180 WeakPolarHBondContact O-CB 3.31Å; S176-A180 PolarHBondContact O-N 3.39Å
177	L	97.8	Very high	98	Very high	93 Å²	93	95.4 Å²	95.4	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-69.6	-37.4	177.4	178.4	152.4	0	0	0	111.6	L173 E174 K181	L173-L177 WeakPolarHBondContact O-CB 3.34Å; L173-L177 PolarHBondContact O-N 3.41Å; E174-L177 PolarHBondContact O-N 3.45Å; L177-K181 HydrophobicContact CD2-CD 3.86Å; L177-K181 WeakPolarHBondContact O-CB 3.08Å; L177-K181 WeakPolarHBondContact O-CG 3.38Å; L177-K181 PolarHBondContact O-N 2.84Å
178	A	98.3	Very high	98	Very high	59 Å²	59	93.7 Å²	93.7	49%	0.488	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-43	172.4	0	0	0	0	0	111.7	E174 A175 K181 K182	E174-A178 WeakPolarHBondContact O-CB 3.21Å; E174-A178 PolarHBondContact O-N 3.04Å; A175-A178 PolarHBondContact O-N 2.62Å; A178-K181 PolarHBondContact O-N 3.31Å; A178-K182 PolarHBondContact O-N 2.87Å
179	A	98.3	Very high	98	Very high	51 Å²	51	93.6 Å²	93.6	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-62.5	-46.9	175.2	0	0	0	0	0	112.1	A175 S176 K181 K182 Q183	A175-A179 PolarHBondContact O-N 3.33Å; S176-A179 PolarHBondContact O-N 2.82Å; A179-K181 PolarHBondContact O-N 3.46Å; A179-K182 PolarHBondContact O-N 2.93Å; A179-Q183 WeakPolarHBondContact O-CG 3.47Å; A179-Q183 PolarHBondContact O-N 2.87Å
180	A	97.5	Very high	98	Very high	53 Å²	53	92.9 Å²	92.9	44%	0.438	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-39.4	177.1	0	0	0	0	0	112.6	S176 Q183 L184	S176-A180 WeakPolarHBondContact O-CB 3.31Å; S176-A180 PolarHBondContact O-N 3.39Å; A180-Q183 PolarHBondContact O-N 2.72Å; A180-L184 WeakPolarHBondContact O-CB 3.31Å; A180-L184 PolarHBondContact O-N 3.31Å
181	K	98.2	Very high	98.1	Very high	140 Å²	140	93.7 Å²	93.7	61%	0.609	52%	0.517	S	S	*	.	H	α-helix	trans	-62.8	-39.2	172.6	-80.2	179.6	178.9	176.6	0	112.4	L177 A178 A179 A185	L177-K181 HydrophobicContact CD2-CD 3.86Å; L177-K181 WeakPolarHBondContact O-CB 3.08Å; L177-K181 WeakPolarHBondContact O-CG 3.38Å; L177-K181 PolarHBondContact O-N 2.84Å; A178-K181 PolarHBondContact O-N 3.31Å; A179-K181 PolarHBondContact O-N 3.46Å; K181-A185 PolarHBondContact O-N 3.46Å
182	K	98.4	Very high	98.1	Very high	125 Å²	125	94.4 Å²	94.4	54%	0.543	52%	0.516	S	S	.	.	H	α-helix	trans	-65.7	-47.9	175.5	-166.8	-159.3	-179.5	-63.1	0	111.1	A178 A179 L184 A185 D186	A178-K182 PolarHBondContact O-N 2.87Å; A179-K182 PolarHBondContact O-N 2.93Å; K182-L184 VanDerWaalsContact C-N 3.3Å; K182-L184 PolarHBondContact O-N 2.88Å; K182-A185 WeakPolarHBondContact O-CB 3.28Å; K182-A185 PolarHBondContact O-N 3.48Å; K182-D186 IonicContact NZ-OD1 2.68Å; K182-D186 PolarHBondContact NZ-OD1 2.82Å; K182-D186 IonicContact NZ-OD2 2.65Å; K182-D186 PolarHBondContact NZ-OD2 2.8Å; K182-D186 PolarHBondContact O-N 2.81Å
183	Q	98.3	Very high	98.1	Very high	126 Å²	126	91.7 Å²	91.7	59%	0.589	51%	0.506	S	S	*	.	H	α-helix	trans	-56.8	-43.9	176.5	-73.4	172.1	-22.8	0	0	111.6	A179 A180 A185 D186 E187	A179-Q183 WeakPolarHBondContact O-CG 3.47Å; A179-Q183 PolarHBondContact O-N 2.87Å; A180-Q183 PolarHBondContact O-N 2.72Å; Q183-A185 PolarHBondContact O-N 2.65Å; Q183-D186 PolarHBondContact O-N 3.16Å; Q183-E187 WeakPolarHBondContact O-CB 3.45Å; Q183-E187 VanDerWaalsContact O-CG 3.31Å; Q183-E187 WeakPolarHBondContact O-CG 3.26Å; Q183-E187 PolarHBondContact O-N 3.15Å
184	L	98.1	Very high	98.1	Very high	117 Å²	117	90.7 Å²	90.7	61%	0.613	50%	0.501	S	S	*	.	H	α-helix	trans	-60.6	-42.6	174.6	-179.8	61.8	0	0	0	112.1	A180 K182 T188	A180-L184 WeakPolarHBondContact O-CB 3.31Å; A180-L184 PolarHBondContact O-N 3.31Å; K182-L184 VanDerWaalsContact C-N 3.3Å; K182-L184 PolarHBondContact O-N 2.88Å; L184-T188 HydrophobicContact CD1-CG2 4.26Å; L184-T188 VanDerWaalsContact O-CG2 3.31Å; L184-T188 WeakPolarHBondContact O-CG2 3.33Å; L184-T188 PolarHBondContact O-N 2.92Å; L184-T188 PolarHBondContact O-OG1 3.39Å; L184-T188 VanDerWaalsContact O-OG1 3.12Å
185	A	98.1	Very high	98	Very high	51 Å²	51	89.1 Å²	89.1	42%	0.421	49%	0.493	S	S	.	.	H	α-helix	trans	-63.7	-48.2	176.4	0	0	0	0	0	111.9	K181 K182 Q183 E187 T188 L189	K181-A185 PolarHBondContact O-N 3.46Å; K182-A185 WeakPolarHBondContact O-CB 3.28Å; K182-A185 PolarHBondContact O-N 3.48Å; Q183-A185 PolarHBondContact O-N 2.65Å; A185-E187 VanDerWaalsContact C-N 3.35Å; A185-E187 PolarHBondContact O-N 3.23Å; A185-T188 WeakPolarHBondContact CA-OG1 3.43Å; A185-T188 PolarHBondContact O-N 3.47Å; A185-T188 PolarHBondContact O-OG1 3.38Å; A185-L189 PolarHBondContact O-N 3.41Å
186	D	98.1	Very high	98	Very high	77 Å²	77	90.1 Å²	90.1	41%	0.412	49%	0.49	S	S	.	.	H	α-helix	trans	-58.5	-44.1	178.1	-61.5	-27.5	0	0	0	110.8	K182 Q183 L189 L190	K182-D186 IonicContact NZ-OD1 2.68Å; K182-D186 PolarHBondContact NZ-OD1 2.82Å; K182-D186 IonicContact NZ-OD2 2.65Å; K182-D186 PolarHBondContact NZ-OD2 2.8Å; K182-D186 PolarHBondContact O-N 2.81Å; Q183-D186 PolarHBondContact O-N 3.16Å; D186-L189 PolarHBondContact O-N 3.4Å; D186-L190 PolarHBondContact O-N 3.35Å
187	E	97.6	Very high	98	Very high	123 Å²	123	95.1 Å²	95.1	58%	0.575	50%	0.499	S	S	*	.	H	α-helix	trans	-68.4	-38	175.4	-72.3	-70.3	171.5	0	0	113.1	Q183 A185 L189 L190 K191	Q183-E187 WeakPolarHBondContact O-CB 3.45Å; Q183-E187 VanDerWaalsContact O-CG 3.31Å; Q183-E187 WeakPolarHBondContact O-CG 3.26Å; Q183-E187 PolarHBondContact O-N 3.15Å; A185-E187 VanDerWaalsContact C-N 3.35Å; A185-E187 PolarHBondContact O-N 3.23Å; E187-L189 VanDerWaalsContact C-N 3.31Å; E187-L189 PolarHBondContact O-N 2.93Å; E187-L190 PolarHBondContact O-N 2.89Å; E187-K191 WeakPolarHBondContact O-CB 3.07Å; E187-K191 PolarHBondContact O-N 3.48Å
188	T	97.5	Very high	98	Very high	75 Å²	75	94.4 Å²	94.4	46%	0.46	50%	0.501	S	S	.	.	H	α-helix	trans	-66.5	-33.2	175.3	53.1	0	0	0	0	112.6	L184 A185 V192	L184-T188 HydrophobicContact CD1-CG2 4.26Å; L184-T188 VanDerWaalsContact O-CG2 3.31Å; L184-T188 WeakPolarHBondContact O-CG2 3.33Å; L184-T188 PolarHBondContact O-N 2.92Å; L184-T188 PolarHBondContact O-OG1 3.39Å; L184-T188 VanDerWaalsContact O-OG1 3.12Å; A185-T188 WeakPolarHBondContact CA-OG1 3.43Å; A185-T188 PolarHBondContact O-N 3.47Å; A185-T188 PolarHBondContact O-OG1 3.38Å; T188-V192 WeakPolarHBondContact O-CG2 3.25Å; T188-V192 PolarHBondContact O-N 2.83Å
189	L	98.3	Very high	98	Very high	106 Å²	106	96.9 Å²	96.9	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-66.9	-49.3	172.5	-179.5	63.3	0	0	0	110.6	A185 D186 E187 K191 V192 D193	A185-L189 PolarHBondContact O-N 3.41Å; D186-L189 PolarHBondContact O-N 3.4Å; E187-L189 VanDerWaalsContact C-N 3.31Å; E187-L189 PolarHBondContact O-N 2.93Å; L189-K191 VanDerWaalsContact C-N 3.29Å; L189-K191 PolarHBondContact O-N 3.23Å; L189-V192 PolarHBondContact O-N 3.43Å; L189-V192 VanDerWaalsContact O-N 3.09Å; L189-D193 PolarHBondContact O-N 3.09Å
190	L	98.1	Very high	98	Very high	86 Å²	86	97.7 Å²	97.7	45%	0.45	51%	0.505	S	S	.	.	H	α-helix	trans	-58.2	-40.2	177.1	179.5	60.4	0	0	0	112.3	D186 E187 D193 L194	D186-L190 PolarHBondContact O-N 3.35Å; E187-L190 PolarHBondContact O-N 2.89Å; L190-D193 PolarHBondContact O-N 3.48Å; L190-L194 HydrophobicContact CD1-CD1 4.19Å; L190-L194 HydrophobicContact CD1-CG 4.28Å; L190-L194 HydrophobicContact CG-CD1 4.11Å; L190-L194 WeakPolarHBondContact O-CB 3.39Å; L190-L194 VanDerWaalsContact O-CG 3.26Å; L190-L194 WeakPolarHBondContact O-CG 3.24Å; L190-L194 PolarHBondContact O-N 2.76Å
191	K	98.3	Very high	98	Very high	113 Å²	113	99.9 Å²	99.9	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-58.7	-48.5	173.5	177.7	-180	176.5	-71.9	0	111.6	E187 L189 L194 E195	E187-K191 WeakPolarHBondContact O-CB 3.07Å; E187-K191 PolarHBondContact O-N 3.48Å; L189-K191 VanDerWaalsContact C-N 3.29Å; L189-K191 PolarHBondContact O-N 3.23Å; K191-L194 PolarHBondContact O-N 2.9Å; K191-E195 WeakPolarHBondContact CE-OE1 3.35Å; K191-E195 IonicContact NZ-OE1 3.5Å; K191-E195 PolarHBondContact NZ-OE1 3.03Å; K191-E195 IonicContact NZ-OE2 3.57Å; K191-E195 PolarHBondContact NZ-OE2 3.34Å; K191-E195 WeakPolarHBondContact O-CG 3.34Å; K191-E195 PolarHBondContact O-N 2.91Å
192	V	98.4	Very high	98	Very high	68 Å²	68	96.6 Å²	96.6	41%	0.412	50%	0.5	S	S	.	.	H	α-helix	trans	-64.8	-42	179.9	168.6	0	0	0	0	111.2	T188 L189 L194 E195 N196	T188-V192 WeakPolarHBondContact O-CG2 3.25Å; T188-V192 PolarHBondContact O-N 2.83Å; L189-V192 PolarHBondContact O-N 3.43Å; L189-V192 VanDerWaalsContact O-N 3.09Å; V192-L194 VanDerWaalsContact C-N 3.31Å; V192-L194 PolarHBondContact O-N 3.37Å; V192-E195 PolarHBondContact O-N 3.01Å; V192-N196 WeakPolarHBondContact O-CB 3.27Å; V192-N196 PolarHBondContact O-N 3.48Å; V192-N196 PolarHBondContact O-ND2 2.89Å; V192-N196 VanDerWaalsContact O-ND2 3.15Å
193	D	98.1	Very high	97.9	Very high	90 Å²	90	95.3 Å²	95.3	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-37.1	175.9	-74.8	-18.1	0	0	0	112.4	L189 L190 R197	L189-D193 PolarHBondContact O-N 3.09Å; L190-D193 PolarHBondContact O-N 3.48Å; D193-R197 WeakPolarHBondContact O-CB 3.43Å; D193-R197 PolarHBondContact O-N 2.8Å
194	L	97.4	Very high	97.9	Very high	94 Å²	94	92.8 Å²	92.8	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-71.6	-40.1	174.3	-71.5	171.9	0	0	0	112.4	L190 K191 V192 R197 C198	L190-L194 HydrophobicContact CD1-CD1 4.19Å; L190-L194 HydrophobicContact CD1-CG 4.28Å; L190-L194 HydrophobicContact CG-CD1 4.11Å; L190-L194 WeakPolarHBondContact O-CB 3.39Å; L190-L194 VanDerWaalsContact O-CG 3.26Å; L190-L194 WeakPolarHBondContact O-CG 3.24Å; L190-L194 PolarHBondContact O-N 2.76Å; K191-L194 PolarHBondContact O-N 2.9Å; V192-L194 VanDerWaalsContact C-N 3.31Å; V192-L194 PolarHBondContact O-N 3.37Å; L194-R197 PolarHBondContact O-N 3.28Å; L194-C198 WeakPolarHBondContact O-CB 3.45Å; L194-C198 PolarHBondContact O-N 2.67Å; L194-C198 PolarHBondContact O-SG 2.94Å
195	E	97.8	Very high	97.9	Very high	96 Å²	96	92.4 Å²	92.4	45%	0.449	49%	0.485	S	S	.	.	H	α-helix	trans	-63.4	-46.2	175	-76.7	174.4	144.7	0	0	111.3	K191 V192 R197 C198 Q199	K191-E195 WeakPolarHBondContact CE-OE1 3.35Å; K191-E195 IonicContact NZ-OE1 3.5Å; K191-E195 PolarHBondContact NZ-OE1 3.03Å; K191-E195 IonicContact NZ-OE2 3.57Å; K191-E195 PolarHBondContact NZ-OE2 3.34Å; K191-E195 WeakPolarHBondContact O-CG 3.34Å; K191-E195 PolarHBondContact O-N 2.91Å; V192-E195 PolarHBondContact O-N 3.01Å; E195-R197 VanDerWaalsContact C-N 3.33Å; E195-R197 PolarHBondContact O-N 2.89Å; E195-C198 PolarHBondContact O-N 2.88Å; E195-Q199 PolarHBondContact O-N 2.89Å
196	N	98.1	Very high	97.9	Very high	84 Å²	84	95.3 Å²	95.3	45%	0.449	49%	0.49	S	S	.	.	H	α-helix	trans	-55.9	-46.4	172.9	-70.1	-28.4	0	0	0	111.4	V192 C198 Q199 S200	V192-N196 WeakPolarHBondContact O-CB 3.27Å; V192-N196 PolarHBondContact O-N 3.48Å; V192-N196 PolarHBondContact O-ND2 2.89Å; V192-N196 VanDerWaalsContact O-ND2 3.15Å; N196-C198 PolarHBondContact O-N 3.38Å; N196-Q199 PolarHBondContact O-N 2.81Å; N196-S200 PolarHBondContact O-N 3.43Å; N196-S200 PolarHBondContact O-OG 3.41Å
197	R	98.1	Very high	97.9	Very high	171 Å²	171	97.6 Å²	97.6	65%	0.645	50%	0.496	S	S	*	.	H	α-helix	trans	-65.7	-38.1	178.7	-176	174.5	-178.3	159.5	2.5	112.7	D193 L194 E195 L201	D193-R197 WeakPolarHBondContact O-CB 3.43Å; D193-R197 PolarHBondContact O-N 2.8Å; L194-R197 PolarHBondContact O-N 3.28Å; E195-R197 VanDerWaalsContact C-N 3.33Å; E195-R197 PolarHBondContact O-N 2.89Å; R197-L201 HydrophobicContact CG-CD1 4.2Å; R197-L201 WeakPolarHBondContact O-CB 3.34Å; R197-L201 VanDerWaalsContact O-CG 3.3Å; R197-L201 WeakPolarHBondContact O-CG 3.24Å; R197-L201 PolarHBondContact O-N 3.11Å
198	C	97.5	Very high	97.9	Very high	77 Å²	77	98.4 Å²	98.4	52%	0.52	49%	0.494	S	S	.	.	H	α-helix	trans	-66.4	-38.6	174.5	-74.9	0	0	0	0	111.7	L194 E195 N196 L201 T202	L194-C198 WeakPolarHBondContact O-CB 3.45Å; L194-C198 PolarHBondContact O-N 2.67Å; L194-C198 PolarHBondContact O-SG 2.94Å; E195-C198 PolarHBondContact O-N 2.88Å; N196-C198 PolarHBondContact O-N 3.38Å; C198-L201 PolarHBondContact O-N 3.09Å; C198-T202 PolarHBondContact O-N 2.87Å; C198-T202 PolarHBondContact O-OG1 2.99Å
199	Q	98.1	Very high	97.9	Very high	112 Å²	112	100.4 Å²	100.4	52%	0.523	50%	0.496	S	S	.	.	H	α-helix	trans	-61.7	-53.3	173	179.5	175.6	-20	0	0	110.9	E195 N196 L201 T202 E203	E195-Q199 PolarHBondContact O-N 2.89Å; N196-Q199 PolarHBondContact O-N 2.81Å; Q199-L201 VanDerWaalsContact C-N 3.27Å; Q199-L201 PolarHBondContact O-N 2.76Å; Q199-T202 WeakPolarHBondContact O-CA 3.42Å; Q199-T202 WeakPolarHBondContact O-CB 3.38Å; Q199-T202 PolarHBondContact O-N 3.43Å; Q199-E203 HydrophobicContact CG-CG 4.41Å; Q199-E203 WeakPolarHBondContact CG-OE1 3.49Å; Q199-E203 PolarHBondContact NE2-OE1 2.93Å; Q199-E203 WeakPolarHBondContact O-CG 3.46Å; Q199-E203 PolarHBondContact O-N 2.8Å
200	S	98.1	Very high	97.8	Very high	68 Å²	68	99.6 Å²	99.6	48%	0.476	49%	0.492	S	S	.	.	H	α-helix	trans	-59	-36.8	178.7	-57.9	0	0	0	0	112.8	N196 T202 E203 D204	N196-S200 PolarHBondContact O-N 3.43Å; N196-S200 PolarHBondContact O-OG 3.41Å; S200-T202 VanDerWaalsContact C-N 3.3Å; S200-T202 PolarHBondContact O-N 3.43Å; S200-E203 PolarHBondContact O-N 3.2Å; S200-D204 WeakPolarHBondContact O-CB 3.4Å; S200-D204 PolarHBondContact O-N 2.89Å
201	L	97.4	Very high	97.8	Very high	99 Å²	99	99.3 Å²	99.3	52%	0.518	49%	0.49	S	S	.	.	H	α-helix	trans	-69.3	-24.5	173.8	-74.9	171.2	0	0	0	113.7	R197 C198 Q199 L205	R197-L201 HydrophobicContact CG-CD1 4.2Å; R197-L201 WeakPolarHBondContact O-CB 3.34Å; R197-L201 VanDerWaalsContact O-CG 3.3Å; R197-L201 WeakPolarHBondContact O-CG 3.24Å; R197-L201 PolarHBondContact O-N 3.11Å; C198-L201 PolarHBondContact O-N 3.09Å; Q199-L201 VanDerWaalsContact C-N 3.27Å; Q199-L201 PolarHBondContact O-N 2.76Å; L201-L205 WeakPolarHBondContact O-CB 3.26Å; L201-L205 PolarHBondContact O-N 2.91Å
202	T	97.9	Very high	97.6	Very high	70 Å²	70	100.9 Å²	100.9	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-76.8	-45.7	174.1	-54.7	0	0	0	0	110.1	C198 Q199 S200 D204 L205 E206	C198-T202 PolarHBondContact O-N 2.87Å; C198-T202 PolarHBondContact O-OG1 2.99Å; Q199-T202 WeakPolarHBondContact O-CA 3.42Å; Q199-T202 WeakPolarHBondContact O-CB 3.38Å; Q199-T202 PolarHBondContact O-N 3.43Å; S200-T202 VanDerWaalsContact C-N 3.3Å; S200-T202 PolarHBondContact O-N 3.43Å; T202-D204 VanDerWaalsContact C-N 3.33Å; T202-D204 PolarHBondContact O-N 3.25Å; T202-L205 WeakPolarHBondContact O-CB 3.39Å; T202-L205 PolarHBondContact O-N 3.46Å; T202-L205 VanDerWaalsContact O-N 3.07Å; T202-E206 WeakPolarHBondContact O-CG 3.25Å; T202-E206 PolarHBondContact O-N 3.23Å
203	E	97.8	Very high	97.6	Very high	98 Å²	98	102 Å²	102	46%	0.458	50%	0.495	S	S	.	.	H	α-helix	trans	-58.7	-42.6	173.3	-66.3	166	173.7	0	0	111.4	Q199 S200 L205 E206 F207	Q199-E203 HydrophobicContact CG-CG 4.41Å; Q199-E203 WeakPolarHBondContact CG-OE1 3.49Å; Q199-E203 PolarHBondContact NE2-OE1 2.93Å; Q199-E203 WeakPolarHBondContact O-CG 3.46Å; Q199-E203 PolarHBondContact O-N 2.8Å; S200-E203 PolarHBondContact O-N 3.2Å; E203-L205 VanDerWaalsContact C-N 3.3Å; E203-L205 PolarHBondContact O-N 2.83Å; E203-E206 PolarHBondContact O-N 2.94Å; E203-F207 WeakPolarHBondContact O-CB 3.15Å; E203-F207 PolarHBondContact O-N 2.97Å
204	D	97.9	Very high	97.4	Very high	74 Å²	74	103.5 Å²	103.5	40%	0.396	50%	0.499	S	S	.	.	H	α-helix	trans	-60.9	-36	173.5	-124.3	37.1	0	0	0	112.7	S200 T202 R208	S200-D204 WeakPolarHBondContact O-CB 3.4Å; S200-D204 PolarHBondContact O-N 2.89Å; T202-D204 VanDerWaalsContact C-N 3.33Å; T202-D204 PolarHBondContact O-N 3.25Å; D204-R208 WeakPolarHBondContact O-CD 3.11Å; D204-R208 WeakPolarHBondContact O-CG 3.37Å; D204-R208 PolarHBondContact O-N 2.81Å; D204-R208 PolarHBondContact O-NE 3.34Å; D204-R208 IonicContact OD2-CZ 2.56Å; D204-R208 IonicContact OD2-NE 2.7Å; D204-R208 IonicContact OD2-NH2 2.76Å; D204-R208 PolarHBondContact OD2-NH2 3.24Å
205	L	97.4	Very high	97.3	Very high	108 Å²	108	104.6 Å²	104.6	57%	0.565	50%	0.501	S	S	*	.	H	α-helix	trans	-74.7	-48.1	179.4	-166.2	167.2	0	0	0	110.1	L201 T202 E203 F207 R208 K209	L201-L205 WeakPolarHBondContact O-CB 3.26Å; L201-L205 PolarHBondContact O-N 2.91Å; T202-L205 WeakPolarHBondContact O-CB 3.39Å; T202-L205 PolarHBondContact O-N 3.46Å; T202-L205 VanDerWaalsContact O-N 3.07Å; E203-L205 VanDerWaalsContact C-N 3.3Å; E203-L205 PolarHBondContact O-N 2.83Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.24Å; L205-R208 PolarHBondContact O-N 3.41Å; L205-K209 WeakPolarHBondContact O-CB 3.4Å; L205-K209 PolarHBondContact O-N 3.47Å
206	E	97.5	Very high	97.2	Very high	112 Å²	112	103.9 Å²	103.9	52%	0.523	50%	0.499	S	S	.	.	H	α-helix	trans	-59.6	-43.6	176.1	-71.6	-179.5	179.4	0	0	111.6	T202 E203 R208 K209 N210	T202-E206 WeakPolarHBondContact O-CG 3.25Å; T202-E206 PolarHBondContact O-N 3.23Å; E203-E206 PolarHBondContact O-N 2.94Å; E206-R208 PolarHBondContact O-N 3.19Å; E206-K209 WeakPolarHBondContact O-CB 3.48Å; E206-K209 PolarHBondContact O-N 2.9Å; E206-N210 WeakPolarHBondContact O-CB 3.47Å; E206-N210 PolarHBondContact O-N 3.4Å; E206-N210 PolarHBondContact O-OD1 2.88Å
207	F	98.1	Very high	97	Very high	125 Å²	125	103.1 Å²	103.1	55%	0.548	50%	0.496	S	S	.	.	H	α-helix	trans	-57	-49.4	173.3	174.1	-103.3	0	0	0	112.3	E203 L205 K209 N210 M211	E203-F207 WeakPolarHBondContact O-CB 3.15Å; E203-F207 PolarHBondContact O-N 2.97Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.24Å; F207-K209 VanDerWaalsContact C-N 3.3Å; F207-K209 PolarHBondContact O-N 3.48Å; F207-N210 PolarHBondContact O-N 3.37Å; F207-M211 HydrophobicContact CD1-CG 4.44Å; F207-M211 HydrophobicContact CD2-CG 4.46Å; F207-M211 HydrophobicContact CE1-CG 3.98Å; F207-M211 HydrophobicContact CE1-SD 4.44Å; F207-M211 HydrophobicContact CE2-CG 4Å; F207-M211 HydrophobicContact CE2-SD 4.1Å; F207-M211 HydrophobicContact CZ-CG 3.74Å; F207-M211 HydrophobicContact CZ-SD 3.74Å; F207-M211 VanDerWaalsContact O-CG 3.24Å; F207-M211 WeakPolarHBondContact O-CG 3.28Å; F207-M211 PolarHBondContact O-N 2.88Å
208	R	97.2	Very high	96.9	Very high	140 Å²	140	99.5 Å²	99.5	53%	0.528	49%	0.486	S	S	.	.	H	α-helix	trans	-63	-37.6	177	-69.8	169	-158.7	-157.6	8.1	112	D204 L205 E206 M211 Y212	D204-R208 WeakPolarHBondContact O-CD 3.11Å; D204-R208 WeakPolarHBondContact O-CG 3.37Å; D204-R208 PolarHBondContact O-N 2.81Å; D204-R208 PolarHBondContact O-NE 3.34Å; D204-R208 IonicContact OD2-CZ 2.56Å; D204-R208 IonicContact OD2-NE 2.7Å; D204-R208 IonicContact OD2-NH2 2.76Å; D204-R208 PolarHBondContact OD2-NH2 3.24Å; L205-R208 PolarHBondContact O-N 3.41Å; E206-R208 PolarHBondContact O-N 3.19Å; R208-M211 PolarHBondContact O-N 2.85Å; R208-Y212 HydrophobicContact CB-CE2 4.31Å; R208-Y212 WeakPolarHBondContact O-CD2 3.06Å; R208-Y212 PolarHBondContact O-N 3.1Å
209	K	97.8	Very high	96.6	Very high	117 Å²	117	99.3 Å²	99.3	51%	0.509	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-47	178.9	-160	-176.2	177.4	-162.9	0	110.8	L205 E206 F207 M211 Y212 E213	L205-K209 WeakPolarHBondContact O-CB 3.4Å; L205-K209 PolarHBondContact O-N 3.47Å; E206-K209 WeakPolarHBondContact O-CB 3.48Å; E206-K209 PolarHBondContact O-N 2.9Å; F207-K209 VanDerWaalsContact C-N 3.3Å; F207-K209 PolarHBondContact O-N 3.48Å; K209-M211 VanDerWaalsContact C-N 3.33Å; K209-M211 PolarHBondContact O-N 2.81Å; K209-Y212 PolarHBondContact O-N 3.24Å; K209-E213 WeakPolarHBondContact O-CG 3.24Å; K209-E213 PolarHBondContact O-N 3.46Å
210	N	97.6	Very high	96.4	Very high	89 Å²	89	101.7 Å²	101.7	48%	0.476	49%	0.487	S	S	.	.	H	α-helix	trans	-60.5	-41.4	174.4	-64.1	-10.1	0	0	0	111.4	E206 F207 E213 E214	E206-N210 WeakPolarHBondContact O-CB 3.47Å; E206-N210 PolarHBondContact O-N 3.4Å; E206-N210 PolarHBondContact O-OD1 2.88Å; F207-N210 PolarHBondContact O-N 3.37Å; N210-E213 PolarHBondContact O-N 3.39Å; N210-E214 WeakPolarHBondContact O-CG 3.19Å; N210-E214 PolarHBondContact O-N 3.02Å
211	M	97.1	Very high	96.1	Very high	81 Å²	81	106.3 Å²	106.3	40%	0.399	49%	0.494	S	S	.	.	H	α-helix	trans	-62.8	-42.1	175.6	-66.8	-89.6	74.7	0	0	112.8	F207 R208 K209 E214 E215	F207-M211 HydrophobicContact CD1-CG 4.44Å; F207-M211 HydrophobicContact CD2-CG 4.46Å; F207-M211 HydrophobicContact CE1-CG 3.98Å; F207-M211 HydrophobicContact CE1-SD 4.44Å; F207-M211 HydrophobicContact CE2-CG 4Å; F207-M211 HydrophobicContact CE2-SD 4.1Å; F207-M211 HydrophobicContact CZ-CG 3.74Å; F207-M211 HydrophobicContact CZ-SD 3.74Å; F207-M211 VanDerWaalsContact O-CG 3.24Å; F207-M211 WeakPolarHBondContact O-CG 3.28Å; F207-M211 PolarHBondContact O-N 2.88Å; R208-M211 PolarHBondContact O-N 2.85Å; K209-M211 VanDerWaalsContact C-N 3.33Å; K209-M211 PolarHBondContact O-N 2.81Å; M211-E214 WeakPolarHBondContact CE-OE2 3.32Å; M211-E214 PolarHBondContact O-N 2.82Å; M211-E215 PolarHBondContact O-N 2.92Å
212	Y	95.1	Very high	95.9	Very high	146 Å²	146	107 Å²	107	57%	0.573	49%	0.493	S	S	*	.	H	α-helix	trans	-68.5	-35.1	173.9	-66.5	-51.5	0	0	0	112.5	R208 K209 E215 I216	R208-Y212 HydrophobicContact CB-CE2 4.31Å; R208-Y212 WeakPolarHBondContact O-CD2 3.06Å; R208-Y212 PolarHBondContact O-N 3.1Å; K209-Y212 PolarHBondContact O-N 3.24Å; Y212-E215 PolarHBondContact O-N 3.44Å; Y212-I216 WeakPolarHBondContact O-CB 3.34Å; Y212-I216 WeakPolarHBondContact O-CD1 3.2Å; Y212-I216 WeakPolarHBondContact O-CG1 3.4Å; Y212-I216 PolarHBondContact O-N 2.93Å
213	E	96.8	Very high	95.5	Very high	92 Å²	92	109.4 Å²	109.4	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-67.6	-37	174.4	-73	179	-154.5	0	0	111.4	K209 N210 N217	K209-E213 WeakPolarHBondContact O-CG 3.24Å; K209-E213 PolarHBondContact O-N 3.46Å; N210-E213 PolarHBondContact O-N 3.39Å; E213-N217 VanDerWaalsContact O-CB 3.28Å; E213-N217 WeakPolarHBondContact O-CB 3.43Å; E213-N217 PolarHBondContact O-N 3.3Å; E213-N217 PolarHBondContact O-ND2 2.97Å
214	E	95.1	Very high	95.2	Very high	121 Å²	121	110.7 Å²	110.7	57%	0.565	51%	0.505	S	S	*	.	H	α-helix	trans	-65.5	-44.1	170.6	-76	-176.2	-176.1	0	0	112.4	N210 M211 N217 E218	N210-E214 WeakPolarHBondContact O-CG 3.19Å; N210-E214 PolarHBondContact O-N 3.02Å; M211-E214 WeakPolarHBondContact CE-OE2 3.32Å; M211-E214 PolarHBondContact O-N 2.82Å; E214-N217 CarbonylContact O-C 3.59Å; E214-N217 PolarHBondContact O-N 3.29Å; E214-E218 WeakPolarHBondContact O-CB 3.44Å; E214-E218 PolarHBondContact O-N 3.5Å
215	E	95.4	Very high	94.7	Very high	116 Å²	116	111 Å²	111	54%	0.542	51%	0.509	S	S	.	.	H	α-helix	trans	-62.9	-41.5	175.3	-174	177.5	-160.7	0	0	111.9	M211 Y212 E218 T219	M211-E215 PolarHBondContact O-N 2.92Å; Y212-E215 PolarHBondContact O-N 3.44Å; E215-E218 PolarHBondContact O-N 3.49Å; E215-T219 WeakPolarHBondContact O-CB 3.42Å; E215-T219 WeakPolarHBondContact O-CG2 3.44Å; E215-T219 PolarHBondContact O-N 3.25Å; E215-T219 PolarHBondContact O-OG1 3.47Å
216	I	94.9	Very high	94.2	Very high	81 Å²	81	114 Å²	114	42%	0.415	51%	0.513	S	S	.	.	H	α-helix	trans	-63.6	-40.5	173.1	-72.6	165.8	0	0	0	110.8	Y212 T219 R220	Y212-I216 WeakPolarHBondContact O-CB 3.34Å; Y212-I216 WeakPolarHBondContact O-CD1 3.2Å; Y212-I216 WeakPolarHBondContact O-CG1 3.4Å; Y212-I216 PolarHBondContact O-N 2.93Å; I216-T219 WeakPolarHBondContact CA-OG1 3.41Å; I216-T219 PolarHBondContact O-OG1 2.87Å; I216-T219 VanDerWaalsContact O-OG1 3.09Å; I216-R220 HydrophobicContact CG2-CG 4.49Å; I216-R220 VanDerWaalsContact O-CB 3.25Å; I216-R220 WeakPolarHBondContact O-CB 3.32Å; I216-R220 WeakPolarHBondContact O-CD 3.4Å; I216-R220 WeakPolarHBondContact O-CG 3.5Å; I216-R220 PolarHBondContact O-N 3.47Å
217	N	95	Very high	93.5	Very high	69 Å²	69	112.7 Å²	112.7	37%	0.369	51%	0.509	S	S	.	.	H	α-helix	trans	-71.6	-35.5	178.1	-74.6	-37	0	0	0	112.4	E213 E214 R221	E213-N217 VanDerWaalsContact O-CB 3.28Å; E213-N217 WeakPolarHBondContact O-CB 3.43Å; E213-N217 PolarHBondContact O-N 3.3Å; E213-N217 PolarHBondContact O-ND2 2.97Å; E214-N217 CarbonylContact O-C 3.59Å; E214-N217 PolarHBondContact O-N 3.29Å; N217-R221 WeakPolarHBondContact O-CB 3.48Å; N217-R221 VanDerWaalsContact O-CG 3.24Å; N217-R221 WeakPolarHBondContact O-CG 3.48Å; N217-R221 PolarHBondContact O-N 3.07Å
218	E	94.4	Very high	93	Very high	95 Å²	95	111.1 Å²	111.1	44%	0.444	51%	0.51	S	S	.	.	H	α-helix	trans	-71.4	-41.5	175.8	-155	-147.1	-179.3	0	0	111.6	E214 E215 R221 K222	E214-E218 WeakPolarHBondContact O-CB 3.44Å; E214-E218 PolarHBondContact O-N 3.5Å; E215-E218 PolarHBondContact O-N 3.49Å; E218-R221 PolarHBondContact O-N 2.89Å; E218-K222 WeakPolarHBondContact O-CB 3.3Å; E218-K222 VanDerWaalsContact O-CG 3.27Å; E218-K222 WeakPolarHBondContact O-CG 3.4Å; E218-K222 PolarHBondContact O-N 3.02Å; E218-K222 WeakPolarHBondContact OE1-CE 3.32Å; E218-K222 IonicContact OE1-NZ 3.66Å; E218-K222 PolarHBondContact OE1-NZ 2.87Å; E218-K222 IonicContact OE2-NZ 2.67Å; E218-K222 PolarHBondContact OE2-NZ 3.41Å
219	T	92.7	Very high	92.4	Very high	73 Å²	73	110.7 Å²	110.7	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-67.2	-36.7	174.3	51.2	0	0	0	0	112.3	E215 I216 K222 H223	E215-T219 WeakPolarHBondContact O-CB 3.42Å; E215-T219 WeakPolarHBondContact O-CG2 3.44Å; E215-T219 PolarHBondContact O-N 3.25Å; E215-T219 PolarHBondContact O-OG1 3.47Å; I216-T219 WeakPolarHBondContact CA-OG1 3.41Å; I216-T219 PolarHBondContact O-OG1 2.87Å; I216-T219 VanDerWaalsContact O-OG1 3.09Å; T219-K222 PolarHBondContact O-N 2.87Å; T219-H223 PolarHBondContact O-N 3.3Å
220	R	93.3	Very high	91.7	Very high	161 Å²	161	108.4 Å²	108.4	61%	0.608	51%	0.509	S	S	*	.	H	α-helix	trans	-60.6	-51	169	-79.2	171.1	178.1	-176.7	-0.6	111.8	I216 K222 H223 E224	I216-R220 HydrophobicContact CG2-CG 4.49Å; I216-R220 VanDerWaalsContact O-CB 3.25Å; I216-R220 WeakPolarHBondContact O-CB 3.32Å; I216-R220 WeakPolarHBondContact O-CD 3.4Å; I216-R220 WeakPolarHBondContact O-CG 3.5Å; I216-R220 PolarHBondContact O-N 3.47Å; R220-K222 VanDerWaalsContact C-N 3.33Å; R220-K222 PolarHBondContact O-N 3.27Å; R220-H223 CarbonylContact O-C 3.56Å; R220-H223 WeakPolarHBondContact O-CA 3.33Å; R220-H223 WeakPolarHBondContact O-CB 3.35Å; R220-H223 PolarHBondContact O-N 2.99Å; R220-E224 WeakPolarHBondContact O-CB 3.33Å; R220-E224 PolarHBondContact O-N 2.92Å
221	R	92.2	Very high	91	Very high	165 Å²	165	107.3 Å²	107.3	62%	0.623	50%	0.503	S	S	*	.	H	α-helix	trans	-56.1	-45.4	176.2	-76.1	167.6	179.2	159.5	0.5	111.8	N217 E218 H223 E224 T225	N217-R221 WeakPolarHBondContact O-CB 3.48Å; N217-R221 VanDerWaalsContact O-CG 3.24Å; N217-R221 WeakPolarHBondContact O-CG 3.48Å; N217-R221 PolarHBondContact O-N 3.07Å; E218-R221 PolarHBondContact O-N 2.89Å; R221-H223 VanDerWaalsContact C-N 3.27Å; R221-H223 PolarHBondContact O-N 3.06Å; R221-E224 PolarHBondContact O-N 3.15Å; R221-T225 WeakPolarHBondContact O-CG2 3.41Å; R221-T225 PolarHBondContact O-N 2.78Å; R221-T225 PolarHBondContact O-OG1 3.4Å
222	K	91.9	Very high	90.4	Very high	114 Å²	114	106 Å²	106	50%	0.496	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-29.5	175.9	-73.4	166.1	179	169.6	0	113.4	E218 T219 R220 T225 R226	E218-K222 WeakPolarHBondContact O-CB 3.3Å; E218-K222 VanDerWaalsContact O-CG 3.27Å; E218-K222 WeakPolarHBondContact O-CG 3.4Å; E218-K222 PolarHBondContact O-N 3.02Å; E218-K222 WeakPolarHBondContact OE1-CE 3.32Å; E218-K222 IonicContact OE1-NZ 3.66Å; E218-K222 PolarHBondContact OE1-NZ 2.87Å; E218-K222 IonicContact OE2-NZ 2.67Å; E218-K222 PolarHBondContact OE2-NZ 3.41Å; T219-K222 PolarHBondContact O-N 2.87Å; R220-K222 VanDerWaalsContact C-N 3.33Å; R220-K222 PolarHBondContact O-N 3.27Å; K222-T225 PolarHBondContact O-OG1 3.34Å; K222-R226 WeakPolarHBondContact O-CB 3.39Å
223	H	89.9	Confident	89.9	Confident	121 Å²	121	100.5 Å²	100.5	56%	0.56	49%	0.49	S	S	*	.	H	α-helix	trans	-79	-43.3	173.9	-174	63.6	0	0	0	111.8	T219 R220 R221 R226 L227	T219-H223 PolarHBondContact O-N 3.3Å; R220-H223 CarbonylContact O-C 3.56Å; R220-H223 WeakPolarHBondContact O-CA 3.33Å; R220-H223 WeakPolarHBondContact O-CB 3.35Å; R220-H223 PolarHBondContact O-N 2.99Å; R221-H223 VanDerWaalsContact C-N 3.27Å; R221-H223 PolarHBondContact O-N 3.06Å; H223-R226 PolarHBondContact O-N 2.75Å; H223-L227 WeakPolarHBondContact O-CB 3.38Å; H223-L227 PolarHBondContact O-N 3.45Å
224	E	91.1	Very high	89.2	Confident	125 Å²	125	103.4 Å²	103.4	58%	0.584	50%	0.497	S	S	*	.	H	α-helix	trans	-61	-49.3	177.8	-178.2	174.8	-151.8	0	0	111.7	R220 R221 R226 L227 V228	R220-E224 WeakPolarHBondContact O-CB 3.33Å; R220-E224 PolarHBondContact O-N 2.92Å; R221-E224 PolarHBondContact O-N 3.15Å; E224-R226 VanDerWaalsContact C-N 3.31Å; E224-R226 PolarHBondContact O-N 2.9Å; E224-L227 PolarHBondContact O-N 2.64Å; E224-L227 VanDerWaalsContact O-N 3.11Å; E224-V228 WeakPolarHBondContact O-CG2 3.42Å; E224-V228 PolarHBondContact O-N 2.89Å
225	T	87.6	Confident	88.8	Confident	80 Å²	80	103 Å²	103	49%	0.491	50%	0.495	S	S	.	.	H	α-helix	trans	-59.5	-42.7	175.1	56.3	0	0	0	0	111.5	R221 K222 L227 V228 E229	R221-T225 WeakPolarHBondContact O-CG2 3.41Å; R221-T225 PolarHBondContact O-N 2.78Å; R221-T225 PolarHBondContact O-OG1 3.4Å; K222-T225 PolarHBondContact O-OG1 3.34Å; T225-L227 VanDerWaalsContact C-N 3.29Å; T225-L227 PolarHBondContact O-N 3.3Å; T225-V228 PolarHBondContact O-N 3.22Å; T225-E229 WeakPolarHBondContact O-CB 3.26Å; T225-E229 VanDerWaalsContact O-CG 3.28Å; T225-E229 WeakPolarHBondContact O-CG 3.42Å; T225-E229 PolarHBondContact O-N 2.88Å
226	R	87.3	Confident	88.4	Confident	170 Å²	170	102.4 Å²	102.4	64%	0.642	50%	0.495	S	S	*	.	H	α-helix	trans	-65.5	-31.6	177.2	-172.2	179.4	-176.9	-168.7	1.4	112.8	K222 H223 E224 V230	K222-R226 WeakPolarHBondContact O-CB 3.39Å; H223-R226 PolarHBondContact O-N 2.75Å; E224-R226 VanDerWaalsContact C-N 3.31Å; E224-R226 PolarHBondContact O-N 2.9Å; R226-V230 VanDerWaalsContact O-CG2 3.31Å; R226-V230 WeakPolarHBondContact O-CG2 3.31Å; R226-V230 PolarHBondContact O-N 3.33Å; R226-V230 VanDerWaalsContact O-N 3.15Å
227	L	83.1	Confident	88.2	Confident	85 Å²	85	103.8 Å²	103.8	45%	0.445	50%	0.5	S	S	.	.	H	α-helix	trans	-74.7	-42.5	177.3	-162.8	148.1	0	0	0	110.4	H223 E224 T225 V230 D231	H223-L227 WeakPolarHBondContact O-CB 3.38Å; H223-L227 PolarHBondContact O-N 3.45Å; E224-L227 PolarHBondContact O-N 2.64Å; E224-L227 VanDerWaalsContact O-N 3.11Å; T225-L227 VanDerWaalsContact C-N 3.29Å; T225-L227 PolarHBondContact O-N 3.3Å; L227-V230 PolarHBondContact O-N 2.86Å; L227-D231 WeakPolarHBondContact CD2-OD2 3.39Å; L227-D231 PolarHBondContact O-N 3.36Å
228	V	87.1	Confident	87.8	Confident	92 Å²	92	108.1 Å²	108.1	56%	0.558	51%	0.512	S	S	*	.	H	α-helix	trans	-62.4	-39.4	171.3	173.4	0	0	0	0	112	E224 T225 D231 S232	E224-V228 WeakPolarHBondContact O-CG2 3.42Å; E224-V228 PolarHBondContact O-N 2.89Å; T225-V228 PolarHBondContact O-N 3.22Å; V228-D231 PolarHBondContact O-N 3.09Å; V228-S232 WeakPolarHBondContact O-CB 3.38Å; V228-S232 PolarHBondContact O-N 3.44Å
229	E	84.8	Confident	87.7	Confident	132 Å²	132	108.4 Å²	108.4	62%	0.617	51%	0.513	S	S	*	.	H	α-helix	trans	-60	-43.9	172.6	-77.7	167.5	-176.2	0	0	111.9	T225 G233	T225-E229 WeakPolarHBondContact O-CB 3.26Å; T225-E229 VanDerWaalsContact O-CG 3.28Å; T225-E229 WeakPolarHBondContact O-CG 3.42Å; T225-E229 PolarHBondContact O-N 2.88Å; E229-G233 PolarHBondContact O-N 3.05Å
230	V	83.7	Confident	87.7	Confident	68 Å²	68	112.3 Å²	112.3	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-68.7	-43	178.7	166.3	0	0	0	0	111.7	R226 L227 G233 R234	R226-V230 VanDerWaalsContact O-CG2 3.31Å; R226-V230 WeakPolarHBondContact O-CG2 3.31Å; R226-V230 PolarHBondContact O-N 3.33Å; R226-V230 VanDerWaalsContact O-N 3.15Å; L227-V230 PolarHBondContact O-N 2.86Å; V230-G233 PolarHBondContact O-N 3.17Å; V230-R234 WeakPolarHBondContact O-CD 3.45Å; V230-R234 VanDerWaalsContact O-CG 3.26Å; V230-R234 WeakPolarHBondContact O-CG 3.31Å; V230-R234 PolarHBondContact O-N 3.01Å
231	D	83.2	Confident	87.7	Confident	66 Å²	66	109.9 Å²	109.9	35%	0.353	52%	0.515	S	S	.	.	H	α-helix	trans	-76.6	-32.6	-179.3	-73.8	-26.2	0	0	0	112.6	L227 V228 R234 Q235	L227-D231 WeakPolarHBondContact CD2-OD2 3.39Å; L227-D231 PolarHBondContact O-N 3.36Å; V228-D231 PolarHBondContact O-N 3.09Å; D231-R234 PolarHBondContact O-N 2.66Å; D231-R234 VanDerWaalsContact OD1-CD 3.26Å; D231-R234 WeakPolarHBondContact OD1-CD 3.5Å; D231-R234 IonicContact OD1-CZ 3.8Å; D231-R234 IonicContact OD1-NE 3.29Å; D231-R234 IonicContact OD1-NH1 2.91Å; D231-R234 PolarHBondContact OD1-NH1 2.92Å; D231-Q235 WeakPolarHBondContact O-CB 3.38Å; D231-Q235 PolarHBondContact O-N 3.07Å
232	S	83.3	Confident	87.6	Confident	54 Å²	54	106 Å²	106	38%	0.378	51%	0.506	S	S	.	.	H	α-helix	trans	-64.3	-42.9	167.2	-177.8	0	0	0	0	111.4	V228 R234 Q235 I236	V228-S232 WeakPolarHBondContact O-CB 3.38Å; V228-S232 PolarHBondContact O-N 3.44Å; S232-R234 PolarHBondContact O-N 2.65Å; S232-Q235 PolarHBondContact O-N 2.85Å; S232-I236 VanDerWaalsContact O-CG1 3.28Å; S232-I236 WeakPolarHBondContact O-CG1 3.4Å; S232-I236 PolarHBondContact O-N 3.37Å
233	G	84.4	Confident	87.7	Confident	31 Å²	31	103.3 Å²	103.3	32%	0.32	51%	0.505	S	S	.	.	H	α-helix	trans	-59.4	-44.5	173.1	0	0	0	0	0	112.7	E229 V230 I236 E237	E229-G233 PolarHBondContact O-N 3.05Å; V230-G233 PolarHBondContact O-N 3.17Å; G233-I236 PolarHBondContact O-N 2.83Å; G233-E237 WeakPolarHBondContact O-CB 3.32Å; G233-E237 PolarHBondContact O-N 3.44Å
234	R	83.1	Confident	87.8	Confident	153 Å²	153	101.4 Å²	101.4	58%	0.577	50%	0.496	S	S	*	.	H	α-helix	trans	-62.7	-41	173.7	-74	161.9	171.1	173	-2.2	112.6	V230 D231 S232 E237 Y238	V230-R234 WeakPolarHBondContact O-CD 3.45Å; V230-R234 VanDerWaalsContact O-CG 3.26Å; V230-R234 WeakPolarHBondContact O-CG 3.31Å; V230-R234 PolarHBondContact O-N 3.01Å; D231-R234 PolarHBondContact O-N 2.66Å; D231-R234 VanDerWaalsContact OD1-CD 3.26Å; D231-R234 WeakPolarHBondContact OD1-CD 3.5Å; D231-R234 IonicContact OD1-CZ 3.8Å; D231-R234 IonicContact OD1-NE 3.29Å; D231-R234 IonicContact OD1-NH1 2.91Å; D231-R234 PolarHBondContact OD1-NH1 2.92Å; S232-R234 PolarHBondContact O-N 2.65Å; R234-E237 PolarHBondContact O-N 3.38Å; R234-Y238 WeakPolarHBondContact O-CB 3.42Å; R234-Y238 PolarHBondContact O-N 3.43Å
235	Q	86.9	Confident	87.9	Confident	112 Å²	112	97.7 Å²	97.7	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-49.8	176.7	178.8	177.6	-9.4	0	0	110.5	D231 S232 E237 Y238 E239	D231-Q235 WeakPolarHBondContact O-CB 3.38Å; D231-Q235 PolarHBondContact O-N 3.07Å; S232-Q235 PolarHBondContact O-N 2.85Å; Q235-E237 VanDerWaalsContact C-N 3.33Å; Q235-E237 PolarHBondContact O-N 2.94Å; Q235-Y238 PolarHBondContact O-N 2.89Å; Q235-Y238 VanDerWaalsContact O-N 3.09Å; Q235-E239 HydrophobicContact CG-CG 4.31Å; Q235-E239 VanDerWaalsContact CG-OE1 3.25Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.42Å; Q235-E239 PolarHBondContact NE2-OE1 3.06Å; Q235-E239 WeakPolarHBondContact O-CB 3.46Å; Q235-E239 WeakPolarHBondContact O-CG 3.34Å; Q235-E239 PolarHBondContact O-N 3.46Å
236	I	87.4	Confident	88.1	Confident	104 Å²	104	98.3 Å²	98.3	53%	0.533	49%	0.487	S	S	.	.	H	α-helix	trans	-60.7	-42	177.1	-66.6	163.1	0	0	0	110.8	S232 G233 Y238 Y240	S232-I236 VanDerWaalsContact O-CG1 3.28Å; S232-I236 WeakPolarHBondContact O-CG1 3.4Å; S232-I236 PolarHBondContact O-N 3.37Å; G233-I236 PolarHBondContact O-N 2.83Å; I236-Y238 VanDerWaalsContact C-N 3.35Å; I236-Y238 PolarHBondContact O-N 3.23Å; I236-Y240 WeakPolarHBondContact O-CB 3.44Å; I236-Y240 PolarHBondContact O-N 2.9Å
237	E	89.2	Confident	88.4	Confident	110 Å²	110	96.2 Å²	96.2	51%	0.514	48%	0.484	S	S	.	.	H	α-helix	trans	-61.7	-39.3	173.3	-87	-165.9	-130.6	0	0	113	G233 R234 Q235 K241	G233-E237 WeakPolarHBondContact O-CB 3.32Å; G233-E237 PolarHBondContact O-N 3.44Å; R234-E237 PolarHBondContact O-N 3.38Å; Q235-E237 VanDerWaalsContact C-N 3.33Å; Q235-E237 PolarHBondContact O-N 2.94Å; E237-K241 WeakPolarHBondContact O-CB 3.45Å; E237-K241 VanDerWaalsContact O-CD 3.23Å; E237-K241 WeakPolarHBondContact O-CD 3.41Å; E237-K241 WeakPolarHBondContact O-CG 3.44Å; E237-K241 PolarHBondContact O-N 2.84Å; E237-K241 IonicContact OE2-NZ 2.62Å; E237-K241 PolarHBondContact OE2-NZ 3.46Å
238	Y	88.3	Confident	88.8	Confident	160 Å²	160	96.3 Å²	96.3	63%	0.627	48%	0.482	S	S	*	.	H	α-helix	trans	-72.3	-46.2	179.7	-177.8	-94.5	0	0	0	111.5	R234 Q235 I236 Y240 K241 L242	R234-Y238 WeakPolarHBondContact O-CB 3.42Å; R234-Y238 PolarHBondContact O-N 3.43Å; Q235-Y238 PolarHBondContact O-N 2.89Å; Q235-Y238 VanDerWaalsContact O-N 3.09Å; I236-Y238 VanDerWaalsContact C-N 3.35Å; I236-Y238 PolarHBondContact O-N 3.23Å; Y238-Y240 VanDerWaalsContact C-N 3.34Å; Y238-Y240 PolarHBondContact O-N 3.12Å; Y238-K241 PolarHBondContact O-N 2.81Å; Y238-L242 HydrophobicContact CE1-CD2 4.2Å; Y238-L242 VanDerWaalsContact O-CB 3.24Å; Y238-L242 WeakPolarHBondContact O-CB 3.17Å; Y238-L242 PolarHBondContact O-N 2.93Å
239	E	92.3	Very high	89	Confident	101 Å²	101	96.4 Å²	96.4	47%	0.472	48%	0.478	S	S	.	.	H	α-helix	trans	-60.1	-42.6	174.1	-73.2	175.9	-171.7	0	0	111.3	Q235 L242 A243	Q235-E239 HydrophobicContact CG-CG 4.31Å; Q235-E239 VanDerWaalsContact CG-OE1 3.25Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.42Å; Q235-E239 PolarHBondContact NE2-OE1 3.06Å; Q235-E239 WeakPolarHBondContact O-CB 3.46Å; Q235-E239 WeakPolarHBondContact O-CG 3.34Å; Q235-E239 PolarHBondContact O-N 3.46Å; E239-L242 PolarHBondContact O-N 2.73Å; E239-A243 WeakPolarHBondContact O-CB 3.29Å; E239-A243 PolarHBondContact O-N 3Å
240	Y	91.4	Very high	89.4	Confident	154 Å²	154	98.3 Å²	98.3	60%	0.604	48%	0.479	S	S	*	.	H	α-helix	trans	-62	-48.6	174.5	178.9	-94.3	0	0	0	112.1	I236 Y238 L242 A243 Q244	I236-Y240 WeakPolarHBondContact O-CB 3.44Å; I236-Y240 PolarHBondContact O-N 2.9Å; Y238-Y240 VanDerWaalsContact C-N 3.34Å; Y238-Y240 PolarHBondContact O-N 3.12Å; Y240-L242 VanDerWaalsContact C-N 3.34Å; Y240-L242 PolarHBondContact O-N 2.74Å; Y240-A243 PolarHBondContact O-N 2.81Å; Y240-Q244 WeakPolarHBondContact O-CB 3.34Å; Y240-Q244 PolarHBondContact O-N 2.88Å
241	K	93	Very high	89.9	Confident	110 Å²	110	100.5 Å²	100.5	48%	0.478	49%	0.485	S	S	.	.	H	α-helix	trans	-65.1	-37.4	179	-70.9	162	-162.3	165.9	0	111.9	E237 Y238 A245	E237-K241 WeakPolarHBondContact O-CB 3.45Å; E237-K241 VanDerWaalsContact O-CD 3.23Å; E237-K241 WeakPolarHBondContact O-CD 3.41Å; E237-K241 WeakPolarHBondContact O-CG 3.44Å; E237-K241 PolarHBondContact O-N 2.84Å; E237-K241 IonicContact OE2-NZ 2.62Å; E237-K241 PolarHBondContact OE2-NZ 3.46Å; Y238-K241 PolarHBondContact O-N 2.81Å; K241-A245 WeakPolarHBondContact O-CB 3.42Å; K241-A245 PolarHBondContact O-N 2.92Å
242	L	91.4	Very high	90.4	Very high	83 Å²	83	102 Å²	102	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-67.8	-44.5	174.9	-179.7	60.2	0	0	0	111.4	Y238 E239 Y240 A245 L246	Y238-L242 HydrophobicContact CE1-CD2 4.2Å; Y238-L242 VanDerWaalsContact O-CB 3.24Å; Y238-L242 WeakPolarHBondContact O-CB 3.17Å; Y238-L242 PolarHBondContact O-N 2.93Å; E239-L242 PolarHBondContact O-N 2.73Å; Y240-L242 VanDerWaalsContact C-N 3.34Å; Y240-L242 PolarHBondContact O-N 2.74Å; L242-A245 PolarHBondContact O-N 3.47Å; L242-L246 HydrophobicContact CD1-CD1 4.21Å; L242-L246 HydrophobicContact CD1-CG 4.34Å; L242-L246 HydrophobicContact CG-CD1 4.07Å; L242-L246 WeakPolarHBondContact O-CB 3.34Å; L242-L246 VanDerWaalsContact O-CG 3.23Å; L242-L246 WeakPolarHBondContact O-CG 3.39Å; L242-L246 PolarHBondContact O-N 2.85Å
243	A	92.9	Very high	90.8	Very high	58 Å²	58	104 Å²	104	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-40.1	175.8	0	0	0	0	0	111.9	E239 Y240 L246 H247	E239-A243 WeakPolarHBondContact O-CB 3.29Å; E239-A243 PolarHBondContact O-N 3Å; Y240-A243 PolarHBondContact O-N 2.81Å; A243-L246 PolarHBondContact O-N 2.89Å; A243-H247 WeakPolarHBondContact O-CB 3.34Å; A243-H247 PolarHBondContact O-N 3.04Å
244	Q	92.8	Very high	91.2	Very high	82 Å²	82	107.2 Å²	107.2	38%	0.383	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-51.6	173	-178.7	-178	-15.4	0	0	110.9	Y240 L246 H247 E248	Y240-Q244 WeakPolarHBondContact O-CB 3.34Å; Y240-Q244 PolarHBondContact O-N 2.88Å; Q244-L246 VanDerWaalsContact C-N 3.3Å; Q244-L246 PolarHBondContact O-N 2.96Å; Q244-H247 CarbonylContact O-C 3.41Å; Q244-H247 WeakPolarHBondContact O-CA 3.46Å; Q244-H247 WeakPolarHBondContact O-CB 3.35Å; Q244-H247 PolarHBondContact O-N 2.99Å; Q244-E248 HydrophobicContact CG-CG 4.44Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.48Å; Q244-E248 PolarHBondContact NE2-OE1 3.4Å; Q244-E248 WeakPolarHBondContact O-CG 3.33Å; Q244-E248 PolarHBondContact O-N 3.38Å
245	A	92.1	Very high	91.7	Very high	47 Å²	47	101.5 Å²	101.5	39%	0.388	49%	0.488	S	S	.	.	H	α-helix	trans	-60.7	-38.8	178.1	0	0	0	0	0	112.3	K241 L242 H247 M249	K241-A245 WeakPolarHBondContact O-CB 3.42Å; K241-A245 PolarHBondContact O-N 2.92Å; L242-A245 PolarHBondContact O-N 3.47Å; A245-H247 VanDerWaalsContact C-N 3.34Å; A245-M249 VanDerWaalsContact O-CB 3.31Å; A245-M249 WeakPolarHBondContact O-CB 3.41Å; A245-M249 WeakPolarHBondContact O-CG 3.18Å; A245-M249 PolarHBondContact O-N 2.93Å
246	L	91.6	Very high	91.9	Very high	92 Å²	92	100.5 Å²	100.5	48%	0.482	48%	0.484	S	S	.	.	H	α-helix	trans	-67.2	-32.3	173.3	-73	170.2	0	0	0	112.7	L242 A243 Q244 R250	L242-L246 HydrophobicContact CD1-CD1 4.21Å; L242-L246 HydrophobicContact CD1-CG 4.34Å; L242-L246 HydrophobicContact CG-CD1 4.07Å; L242-L246 WeakPolarHBondContact O-CB 3.34Å; L242-L246 VanDerWaalsContact O-CG 3.23Å; L242-L246 WeakPolarHBondContact O-CG 3.39Å; L242-L246 PolarHBondContact O-N 2.85Å; A243-L246 PolarHBondContact O-N 2.89Å; Q244-L246 VanDerWaalsContact C-N 3.3Å; Q244-L246 PolarHBondContact O-N 2.96Å; L246-R250 WeakPolarHBondContact O-CB 3.46Å; L246-R250 VanDerWaalsContact O-CG 3.23Å; L246-R250 WeakPolarHBondContact O-CG 3.29Å; L246-R250 PolarHBondContact O-N 3.17Å
247	H	93.8	Very high	92.2	Very high	126 Å²	126	100 Å²	100	58%	0.583	49%	0.485	S	S	*	.	H	α-helix	trans	-72	-47.5	174.9	-170.3	72.1	0	0	0	111.5	A243 Q244 A245 M249 R250 E251	A243-H247 WeakPolarHBondContact O-CB 3.34Å; A243-H247 PolarHBondContact O-N 3.04Å; Q244-H247 CarbonylContact O-C 3.41Å; Q244-H247 WeakPolarHBondContact O-CA 3.46Å; Q244-H247 WeakPolarHBondContact O-CB 3.35Å; Q244-H247 PolarHBondContact O-N 2.99Å; A245-H247 VanDerWaalsContact C-N 3.34Å; H247-M249 VanDerWaalsContact C-N 3.33Å; H247-M249 PolarHBondContact O-N 2.85Å; H247-R250 WeakPolarHBondContact O-CB 3.31Å; H247-R250 PolarHBondContact O-N 2.93Å; H247-R250 VanDerWaalsContact O-N 3.07Å; H247-E251 PolarHBondContact O-N 2.92Å
248	E	93.1	Very high	92.4	Very high	87 Å²	87	100.8 Å²	100.8	41%	0.407	48%	0.484	S	S	.	.	H	α-helix	trans	-59.4	-43.1	174.7	-70.8	174.7	-165.5	0	0	111.4	Q244 R250 E251 Q252	Q244-E248 HydrophobicContact CG-CG 4.44Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.48Å; Q244-E248 PolarHBondContact NE2-OE1 3.4Å; Q244-E248 WeakPolarHBondContact O-CG 3.33Å; Q244-E248 PolarHBondContact O-N 3.38Å; E248-R250 VanDerWaalsContact C-N 3.34Å; E248-R250 PolarHBondContact O-N 3.43Å; E248-E251 PolarHBondContact O-N 2.87Å; E248-Q252 WeakPolarHBondContact O-CB 3.46Å; E248-Q252 VanDerWaalsContact O-CG 3.23Å; E248-Q252 WeakPolarHBondContact O-CG 3.46Å; E248-Q252 PolarHBondContact O-N 2.96Å
249	M	90.5	Very high	92.6	Very high	94 Å²	94	98 Å²	98	46%	0.463	48%	0.479	S	S	.	.	H	α-helix	trans	-64	-36.4	173.7	-73.9	-60.8	-55.6	0	0	112.4	A245 H247 H253	A245-M249 VanDerWaalsContact O-CB 3.31Å; A245-M249 WeakPolarHBondContact O-CB 3.41Å; A245-M249 WeakPolarHBondContact O-CG 3.18Å; A245-M249 PolarHBondContact O-N 2.93Å; H247-M249 VanDerWaalsContact C-N 3.33Å; H247-M249 PolarHBondContact O-N 2.85Å; M249-H253 PolarHBondContact O-N 3.35Å; M249-H253 VanDerWaalsContact O-N 3.12Å; M249-H253 PolarHBondContact O-ND1 2.87Å
250	R	92.9	Very high	92.5	Very high	173 Å²	173	100 Å²	100	65%	0.653	48%	0.483	S	S	*	.	H	α-helix	trans	-67.5	-47.2	173.9	-77.3	171.9	-173.7	-163.6	3.5	111.4	L246 H247 E248 Q252 H253 D254	L246-R250 WeakPolarHBondContact O-CB 3.46Å; L246-R250 VanDerWaalsContact O-CG 3.23Å; L246-R250 WeakPolarHBondContact O-CG 3.29Å; L246-R250 PolarHBondContact O-N 3.17Å; H247-R250 WeakPolarHBondContact O-CB 3.31Å; H247-R250 PolarHBondContact O-N 2.93Å; H247-R250 VanDerWaalsContact O-N 3.07Å; E248-R250 VanDerWaalsContact C-N 3.34Å; E248-R250 PolarHBondContact O-N 3.43Å; R250-Q252 VanDerWaalsContact C-N 3.28Å; R250-Q252 PolarHBondContact O-N 3.05Å; R250-H253 PolarHBondContact O-N 2.69Å; R250-H253 VanDerWaalsContact O-N 3.08Å; R250-D254 PolarHBondContact O-N 2.95Å
251	E	93.9	Very high	92.6	Very high	114 Å²	114	98 Å²	98	53%	0.533	48%	0.478	S	S	.	.	H	α-helix	trans	-60.8	-37.6	177.8	-173.2	176.9	-164.3	0	0	111.7	H247 E248 D254 A255	H247-E251 PolarHBondContact O-N 2.92Å; E248-E251 PolarHBondContact O-N 2.87Å; E251-D254 PolarHBondContact O-N 3.02Å; E251-A255 VanDerWaalsContact O-CB 3.22Å; E251-A255 WeakPolarHBondContact O-CB 3.3Å; E251-A255 PolarHBondContact O-N 3.02Å
252	Q	93.8	Very high	92.6	Very high	96 Å²	96	97.3 Å²	97.3	45%	0.449	48%	0.476	S	S	.	.	H	α-helix	trans	-62.9	-43.4	172.5	-74.6	173.8	35.4	0	0	112.5	E248 R250 A255 Q256	E248-Q252 WeakPolarHBondContact O-CB 3.46Å; E248-Q252 VanDerWaalsContact O-CG 3.23Å; E248-Q252 WeakPolarHBondContact O-CG 3.46Å; E248-Q252 PolarHBondContact O-N 2.96Å; R250-Q252 VanDerWaalsContact C-N 3.28Å; R250-Q252 PolarHBondContact O-N 3.05Å; Q252-A255 PolarHBondContact O-N 3.37Å; Q252-Q256 VanDerWaalsContact O-CG 3.29Å; Q252-Q256 WeakPolarHBondContact O-CG 3.35Å; Q252-Q256 PolarHBondContact O-N 3.43Å
253	H	91.6	Very high	92.7	Very high	98 Å²	98	98.6 Å²	98.6	45%	0.454	48%	0.48	S	S	.	.	H	α-helix	trans	-66.3	-42.6	174.1	-73.4	98.9	0	0	0	111.7	M249 R250 A255 Q256 V257	M249-H253 PolarHBondContact O-N 3.35Å; M249-H253 VanDerWaalsContact O-N 3.12Å; M249-H253 PolarHBondContact O-ND1 2.87Å; R250-H253 PolarHBondContact O-N 2.69Å; R250-H253 VanDerWaalsContact O-N 3.08Å; H253-A255 VanDerWaalsContact C-N 3.28Å; H253-A255 PolarHBondContact O-N 2.89Å; H253-Q256 PolarHBondContact O-N 2.8Å; H253-V257 WeakPolarHBondContact O-CB 3.23Å; H253-V257 WeakPolarHBondContact O-CG2 3.46Å; H253-V257 PolarHBondContact O-N 2.88Å
254	D	93.1	Very high	92.5	Very high	98 Å²	98	100.4 Å²	100.4	52%	0.524	48%	0.481	S	S	.	.	H	α-helix	trans	-66.8	-28.5	176.5	-71.9	-28.2	0	0	0	112.3	R250 E251 R258	R250-D254 PolarHBondContact O-N 2.95Å; E251-D254 PolarHBondContact O-N 3.02Å; D254-R258 WeakPolarHBondContact O-CB 3.48Å; D254-R258 VanDerWaalsContact O-CG 3.27Å; D254-R258 WeakPolarHBondContact O-CG 3.18Å; D254-R258 PolarHBondContact O-N 3.14Å; D254-R258 PolarHBondContact O-NE 3.06Å
255	A	93	Very high	92.5	Very high	33 Å²	33	100.6 Å²	100.6	27%	0.273	48%	0.482	S	S	.	.	H	α-helix	trans	-71.1	-44.3	169.7	0	0	0	0	0	111.7	E251 Q252 H253 R258 L259	E251-A255 VanDerWaalsContact O-CB 3.22Å; E251-A255 WeakPolarHBondContact O-CB 3.3Å; E251-A255 PolarHBondContact O-N 3.02Å; Q252-A255 PolarHBondContact O-N 3.37Å; H253-A255 VanDerWaalsContact C-N 3.28Å; H253-A255 PolarHBondContact O-N 2.89Å; A255-R258 PolarHBondContact O-N 3.05Å; A255-L259 WeakPolarHBondContact O-CG 3.46Å; A255-L259 PolarHBondContact O-N 2.79Å
256	Q	92.8	Very high	92.5	Very high	91 Å²	91	104.5 Å²	104.5	43%	0.425	49%	0.492	S	S	.	.	H	α-helix	trans	-61.8	-43.5	174.1	-71.4	170.1	23.4	0	0	111.7	Q252 H253 R258 L259 Y260	Q252-Q256 VanDerWaalsContact O-CG 3.29Å; Q252-Q256 WeakPolarHBondContact O-CG 3.35Å; Q252-Q256 PolarHBondContact O-N 3.43Å; H253-Q256 PolarHBondContact O-N 2.8Å; Q256-R258 PolarHBondContact O-N 2.84Å; Q256-L259 PolarHBondContact O-N 2.93Å; Q256-Y260 HydrophobicContact CB-CE2 4.36Å; Q256-Y260 WeakPolarHBondContact O-CD2 3.41Å; Q256-Y260 PolarHBondContact O-N 3.48Å
257	V	92.3	Very high	92.3	Very high	93 Å²	93	102.9 Å²	102.9	56%	0.564	49%	0.486	S	S	*	.	H	α-helix	trans	-64.3	-38.8	176.3	170.4	0	0	0	0	111.5	H253 K261	H253-V257 WeakPolarHBondContact O-CB 3.23Å; H253-V257 WeakPolarHBondContact O-CG2 3.46Å; H253-V257 PolarHBondContact O-N 2.88Å; V257-K261 VanDerWaalsContact O-CB 3.29Å; V257-K261 WeakPolarHBondContact O-CB 3.41Å; V257-K261 PolarHBondContact O-N 3.31Å
258	R	93.6	Very high	92.1	Very high	127 Å²	127	103.7 Å²	103.7	48%	0.479	49%	0.485	S	S	.	.	H	α-helix	trans	-62.4	-48	171.1	-81.5	176.4	-71.4	158.2	-7.2	112	D254 A255 Q256 Y260 K261 E262	D254-R258 WeakPolarHBondContact O-CB 3.48Å; D254-R258 VanDerWaalsContact O-CG 3.27Å; D254-R258 WeakPolarHBondContact O-CG 3.18Å; D254-R258 PolarHBondContact O-N 3.14Å; D254-R258 PolarHBondContact O-NE 3.06Å; A255-R258 PolarHBondContact O-N 3.05Å; Q256-R258 PolarHBondContact O-N 2.84Å; R258-Y260 PolarHBondContact O-N 2.81Å; R258-K261 CarbonylContact O-C 3.56Å; R258-K261 WeakPolarHBondContact O-CB 3.28Å; R258-K261 PolarHBondContact O-N 2.81Å; R258-K261 VanDerWaalsContact O-N 3.13Å; R258-E262 WeakPolarHBondContact O-CB 3.43Å; R258-E262 WeakPolarHBondContact O-CG 3.32Å; R258-E262 PolarHBondContact O-N 2.78Å
259	L	92.9	Very high	92	Very high	100 Å²	100	105.8 Å²	105.8	52%	0.524	49%	0.494	S	S	.	.	H	α-helix	trans	-60.4	-47	177.7	-71.7	170.1	0	0	0	111.7	A255 Q256 K261 E262 E263	A255-L259 WeakPolarHBondContact O-CG 3.46Å; A255-L259 PolarHBondContact O-N 2.79Å; Q256-L259 PolarHBondContact O-N 2.93Å; L259-K261 VanDerWaalsContact C-N 3.28Å; L259-K261 PolarHBondContact O-N 3.3Å; L259-E262 PolarHBondContact O-N 3.48Å; L259-E263 WeakPolarHBondContact O-CB 3.41Å; L259-E263 WeakPolarHBondContact O-CG 3.16Å; L259-E263 PolarHBondContact O-N 3.44Å
260	Y	90.7	Very high	91.9	Very high	145 Å²	145	103.6 Å²	103.6	57%	0.569	49%	0.491	S	S	*	.	H	α-helix	trans	-61.7	-34.7	174.6	-72	-50.7	0	0	0	112.8	Q256 R258 L264	Q256-Y260 HydrophobicContact CB-CE2 4.36Å; Q256-Y260 WeakPolarHBondContact O-CD2 3.41Å; Q256-Y260 PolarHBondContact O-N 3.48Å; R258-Y260 PolarHBondContact O-N 2.81Å; Y260-L264 VanDerWaalsContact O-CB 3.29Å; Y260-L264 WeakPolarHBondContact O-CB 3.29Å; Y260-L264 WeakPolarHBondContact O-CD1 3.34Å; Y260-L264 WeakPolarHBondContact O-CG 3.37Å; Y260-L264 PolarHBondContact O-N 2.89Å
261	K	93.6	Very high	91.7	Very high	112 Å²	112	101.3 Å²	101.3	49%	0.487	49%	0.486	S	S	.	.	H	α-helix	trans	-68.5	-43.4	174	179.2	179.2	172.6	-63.8	0	111.8	V257 R258 L259 L264 E265	V257-K261 VanDerWaalsContact O-CB 3.29Å; V257-K261 WeakPolarHBondContact O-CB 3.41Å; V257-K261 PolarHBondContact O-N 3.31Å; R258-K261 CarbonylContact O-C 3.56Å; R258-K261 WeakPolarHBondContact O-CB 3.28Å; R258-K261 PolarHBondContact O-N 2.81Å; R258-K261 VanDerWaalsContact O-N 3.13Å; L259-K261 VanDerWaalsContact C-N 3.28Å; L259-K261 PolarHBondContact O-N 3.3Å; K261-L264 PolarHBondContact O-N 2.96Å; K261-E265 VanDerWaalsContact CE-OE1 3.31Å; K261-E265 WeakPolarHBondContact CE-OE1 3.02Å; K261-E265 VanDerWaalsContact NZ-CD 3.29Å; K261-E265 IonicContact NZ-OE1 2.73Å; K261-E265 PolarHBondContact NZ-OE1 3.33Å; K261-E265 IonicContact NZ-OE2 3.86Å; K261-E265 PolarHBondContact NZ-OE2 3.41Å; K261-E265 WeakPolarHBondContact O-CB 3.39Å; K261-E265 WeakPolarHBondContact O-CG 3.13Å; K261-E265 PolarHBondContact O-N 2.74Å
262	E	92.8	Very high	91.4	Very high	95 Å²	95	101.2 Å²	101.2	44%	0.444	49%	0.489	S	S	.	.	H	α-helix	trans	-66.6	-40.6	176.8	-73.4	171.6	-152.7	0	0	111.7	R258 L259 E265 Q266	R258-E262 WeakPolarHBondContact O-CB 3.43Å; R258-E262 WeakPolarHBondContact O-CG 3.32Å; R258-E262 PolarHBondContact O-N 2.78Å; L259-E262 PolarHBondContact O-N 3.48Å; E262-E265 PolarHBondContact O-N 2.98Å; E262-Q266 WeakPolarHBondContact O-CB 3.33Å; E262-Q266 WeakPolarHBondContact O-CG 3.48Å; E262-Q266 PolarHBondContact O-N 3.41Å; E262-Q266 PolarHBondContact O-NE2 3.33Å
263	E	92.5	Very high	91.2	Very high	109 Å²	109	101 Å²	101	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-61.4	-46.8	171	-75.2	-179.3	170.7	0	0	111.2	L259 Q266 T267	L259-E263 WeakPolarHBondContact O-CB 3.41Å; L259-E263 WeakPolarHBondContact O-CG 3.16Å; L259-E263 PolarHBondContact O-N 3.44Å; E263-Q266 PolarHBondContact O-N 3.37Å; E263-T267 WeakPolarHBondContact O-CG2 3.28Å; E263-T267 PolarHBondContact O-N 3.39Å
264	L	89.7	Confident	90.9	Very high	96 Å²	96	101.5 Å²	101.5	50%	0.503	49%	0.494	S	S	.	.	H	α-helix	trans	-58.6	-49.9	175.2	-80	168.1	0	0	0	111.1	Y260 K261 Q266 T267 Y268	Y260-L264 VanDerWaalsContact O-CB 3.29Å; Y260-L264 WeakPolarHBondContact O-CB 3.29Å; Y260-L264 WeakPolarHBondContact O-CD1 3.34Å; Y260-L264 WeakPolarHBondContact O-CG 3.37Å; Y260-L264 PolarHBondContact O-N 2.89Å; K261-L264 PolarHBondContact O-N 2.96Å; L264-Q266 VanDerWaalsContact C-N 3.33Å; L264-Q266 PolarHBondContact O-N 2.87Å; L264-T267 CarbonylContact O-C 3.56Å; L264-T267 PolarHBondContact O-N 2.71Å; L264-T267 VanDerWaalsContact O-N 3.08Å; L264-T267 PolarHBondContact O-OG1 3.46Å; L264-Y268 HydrophobicContact CB-CD2 4.48Å; L264-Y268 HydrophobicContact CB-CE2 4.46Å; L264-Y268 WeakPolarHBondContact O-CD2 3.34Å; L264-Y268 PolarHBondContact O-N 3.08Å
265	E	91.3	Very high	90.6	Very high	86 Å²	86	99.5 Å²	99.5	40%	0.402	49%	0.491	S	S	.	.	H	α-helix	trans	-58.3	-42.3	176.7	-77.5	171.5	178.4	0	0	111.8	K261 E262 Y268 H269	K261-E265 VanDerWaalsContact CE-OE1 3.31Å; K261-E265 WeakPolarHBondContact CE-OE1 3.02Å; K261-E265 VanDerWaalsContact NZ-CD 3.29Å; K261-E265 IonicContact NZ-OE1 2.73Å; K261-E265 PolarHBondContact NZ-OE1 3.33Å; K261-E265 IonicContact NZ-OE2 3.86Å; K261-E265 PolarHBondContact NZ-OE2 3.41Å; K261-E265 WeakPolarHBondContact O-CB 3.39Å; K261-E265 WeakPolarHBondContact O-CG 3.13Å; K261-E265 PolarHBondContact O-N 2.74Å; E262-E265 PolarHBondContact O-N 2.98Å; E265-Y268 PolarHBondContact O-N 3.22Å; E265-H269 PolarHBondContact O-CD2 3.46Å; E265-H269 VanDerWaalsContact O-CD2 3.25Å; E265-H269 PolarHBondContact O-N 2.98Å
266	Q	92.2	Very high	90.4	Very high	129 Å²	129	104.1 Å²	104.1	60%	0.603	50%	0.501	S	S	*	.	H	α-helix	trans	-61.5	-43.2	171.8	-74.2	171.8	54.1	0	0	112.1	E262 E263 L264 Y268 H269 A270	E262-Q266 WeakPolarHBondContact O-CB 3.33Å; E262-Q266 WeakPolarHBondContact O-CG 3.48Å; E262-Q266 PolarHBondContact O-N 3.41Å; E262-Q266 PolarHBondContact O-NE2 3.33Å; E263-Q266 PolarHBondContact O-N 3.37Å; L264-Q266 VanDerWaalsContact C-N 3.33Å; L264-Q266 PolarHBondContact O-N 2.87Å; Q266-Y268 VanDerWaalsContact C-N 3.33Å; Q266-Y268 PolarHBondContact O-N 3.16Å; Q266-H269 PolarHBondContact O-N 2.77Å; Q266-A270 WeakPolarHBondContact O-CB 3.44Å; Q266-A270 PolarHBondContact O-N 3.19Å
267	T	88.8	Confident	90.1	Very high	58 Å²	58	103.8 Å²	103.8	36%	0.356	50%	0.502	S	S	.	.	H	α-helix	trans	-68.5	-30.5	174.7	76.3	0	0	0	0	112.9	E263 L264 K271	E263-T267 WeakPolarHBondContact O-CG2 3.28Å; E263-T267 PolarHBondContact O-N 3.39Å; L264-T267 CarbonylContact O-C 3.56Å; L264-T267 PolarHBondContact O-N 2.71Å; L264-T267 VanDerWaalsContact O-N 3.08Å; L264-T267 PolarHBondContact O-OG1 3.46Å; T267-K271 WeakPolarHBondContact O-CB 3.32Å; T267-K271 VanDerWaalsContact O-CD 3.28Å; T267-K271 WeakPolarHBondContact O-CD 3.17Å; T267-K271 WeakPolarHBondContact O-CG 3.14Å; T267-K271 PolarHBondContact O-N 2.89Å; T267-K271 PolarHBondContact OG1-NZ 3.11Å
268	Y	88.7	Confident	89.6	Confident	144 Å²	144	102.2 Å²	102.2	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-69.2	-45.1	173.4	-81.4	-67.6	0	0	0	111	L264 E265 Q266 K271 L272	L264-Y268 HydrophobicContact CB-CD2 4.48Å; L264-Y268 HydrophobicContact CB-CE2 4.46Å; L264-Y268 WeakPolarHBondContact O-CD2 3.34Å; L264-Y268 PolarHBondContact O-N 3.08Å; E265-Y268 PolarHBondContact O-N 3.22Å; Q266-Y268 VanDerWaalsContact C-N 3.33Å; Q266-Y268 PolarHBondContact O-N 3.16Å; Y268-K271 PolarHBondContact O-N 3.41Å; Y268-L272 WeakPolarHBondContact O-CB 3.32Å; Y268-L272 VanDerWaalsContact O-CG 3.31Å; Y268-L272 WeakPolarHBondContact O-CG 3.45Å; Y268-L272 PolarHBondContact O-N 2.91Å
269	H	91.3	Very high	89	Confident	130 Å²	130	99.3 Å²	99.3	60%	0.602	49%	0.494	S	S	*	.	H	α-helix	trans	-60	-44.5	172	-83.9	-69.6	0	0	0	111.9	E265 Q266 K271 L272 E273	E265-H269 PolarHBondContact O-CD2 3.46Å; E265-H269 VanDerWaalsContact O-CD2 3.25Å; E265-H269 PolarHBondContact O-N 2.98Å; Q266-H269 PolarHBondContact O-N 2.77Å; H269-K271 VanDerWaalsContact C-N 3.35Å; H269-K271 PolarHBondContact O-N 3.47Å; H269-L272 PolarHBondContact O-N 2.93Å; H269-E273 PolarHBondContact O-N 2.69Å
270	A	88.3	Confident	88.6	Confident	49 Å²	49	98.4 Å²	98.4	41%	0.405	49%	0.487	S	S	.	.	H	α-helix	trans	-62.8	-38.7	175.6	0	0	0	0	0	112.4	Q266 N274	Q266-A270 WeakPolarHBondContact O-CB 3.44Å; Q266-A270 PolarHBondContact O-N 3.19Å; A270-N274 WeakPolarHBondContact O-CB 2.9Å; A270-N274 PolarHBondContact O-N 2.84Å; A270-N274 PolarHBondContact O-ND2 3.33Å
271	K	89.9	Confident	88.1	Confident	125 Å²	125	97 Å²	97	54%	0.543	49%	0.487	S	S	.	.	H	α-helix	trans	-67.1	-39.9	173.5	-74.3	160.3	-170.6	153.3	0	111.9	T267 Y268 H269 N274 A275	T267-K271 WeakPolarHBondContact O-CB 3.32Å; T267-K271 VanDerWaalsContact O-CD 3.28Å; T267-K271 WeakPolarHBondContact O-CD 3.17Å; T267-K271 WeakPolarHBondContact O-CG 3.14Å; T267-K271 PolarHBondContact O-N 2.89Å; T267-K271 PolarHBondContact OG1-NZ 3.11Å; Y268-K271 PolarHBondContact O-N 3.41Å; H269-K271 VanDerWaalsContact C-N 3.35Å; H269-K271 PolarHBondContact O-N 3.47Å; K271-N274 PolarHBondContact O-N 2.87Å; K271-A275 VanDerWaalsContact O-CB 3.3Å; K271-A275 WeakPolarHBondContact O-CB 3.3Å; K271-A275 PolarHBondContact O-N 3.49Å
272	L	87.6	Confident	87.6	Confident	112 Å²	112	96.7 Å²	96.7	59%	0.586	49%	0.491	S	S	*	.	H	α-helix	trans	-65.6	-45	176.8	-75.5	167.9	0	0	0	111.8	Y268 H269 A275 R276	Y268-L272 WeakPolarHBondContact O-CB 3.32Å; Y268-L272 VanDerWaalsContact O-CG 3.31Å; Y268-L272 WeakPolarHBondContact O-CG 3.45Å; Y268-L272 PolarHBondContact O-N 2.91Å; H269-L272 PolarHBondContact O-N 2.93Å; L272-A275 PolarHBondContact O-N 2.95Å; L272-R276 VanDerWaalsContact O-CB 3.3Å; L272-R276 WeakPolarHBondContact O-CB 3.24Å; L272-R276 PolarHBondContact O-N 2.91Å
273	E	88.4	Confident	87.3	Confident	90 Å²	90	95.7 Å²	95.7	42%	0.421	49%	0.491	S	S	.	.	H	α-helix	trans	-68.6	-35.2	175.6	-76.9	-62.2	138.6	0	0	112.1	H269 R276 L277	H269-E273 PolarHBondContact O-N 2.69Å; E273-R276 PolarHBondContact O-N 2.69Å; E273-R276 IonicContact OE1-NH1 2.66Å; E273-L277 WeakPolarHBondContact O-CB 3.44Å; E273-L277 VanDerWaalsContact O-CG 3.25Å; E273-L277 WeakPolarHBondContact O-CG 3.29Å; E273-L277 PolarHBondContact O-N 3.02Å
274	N	86.4	Confident	86.7	Confident	110 Å²	110	93.2 Å²	93.2	59%	0.588	49%	0.486	S	S	*	.	H	α-helix	trans	-66.4	-38.4	170.4	-83.3	-79.3	0	0	0	112.6	A270 K271 R276 S278	A270-N274 WeakPolarHBondContact O-CB 2.9Å; A270-N274 PolarHBondContact O-N 2.84Å; A270-N274 PolarHBondContact O-ND2 3.33Å; K271-N274 PolarHBondContact O-N 2.87Å; N274-R276 VanDerWaalsContact C-N 3.34Å; N274-S278 WeakPolarHBondContact O-CB 3.25Å; N274-S278 PolarHBondContact O-N 2.6Å; N274-S278 PolarHBondContact O-OG 3.21Å
275	A	85.3	Confident	86.2	Confident	56 Å²	56	92.6 Å²	92.6	46%	0.463	49%	0.486	S	S	.	.	H	α-helix	trans	-66.4	-37.2	173.8	0	0	0	0	0	111.7	K271 L272 S278 S279	K271-A275 VanDerWaalsContact O-CB 3.3Å; K271-A275 WeakPolarHBondContact O-CB 3.3Å; K271-A275 PolarHBondContact O-N 3.49Å; L272-A275 PolarHBondContact O-N 2.95Å; A275-S278 WeakPolarHBondContact CA-OG 3.41Å; A275-S278 PolarHBondContact O-OG 2.98Å; A275-S278 VanDerWaalsContact O-OG 3.13Å; A275-S279 VanDerWaalsContact O-CB 3.3Å; A275-S279 WeakPolarHBondContact O-CB 3.49Å; A275-S279 PolarHBondContact O-N 2.83Å
276	R	88.9	Confident	85.7	Confident	130 Å²	130	92.1 Å²	92.1	49%	0.491	49%	0.489	S	S	.	.	H	α-helix	trans	-66.1	-54	174	-177	-169.3	166.8	176.9	-4.6	111.5	L272 E273 N274 S278 S279 E280	L272-R276 VanDerWaalsContact O-CB 3.3Å; L272-R276 WeakPolarHBondContact O-CB 3.24Å; L272-R276 PolarHBondContact O-N 2.91Å; E273-R276 PolarHBondContact O-N 2.69Å; E273-R276 IonicContact OE1-NH1 2.66Å; N274-R276 VanDerWaalsContact C-N 3.34Å; R276-S278 VanDerWaalsContact C-N 3.31Å; R276-S278 PolarHBondContact O-N 2.79Å; R276-S279 CarbonylContact O-C 3.58Å; R276-S279 WeakPolarHBondContact O-CA 3.26Å; R276-S279 VanDerWaalsContact O-CB 3.29Å; R276-S279 WeakPolarHBondContact O-CB 3.42Å; R276-S279 PolarHBondContact O-N 2.97Å; R276-E280 IonicContact CZ-OE1 2.74Å; R276-E280 VanDerWaalsContact CZ-OE1 3.29Å; R276-E280 IonicContact NE-OE1 2.76Å; R276-E280 PolarHBondContact NE-OE1 3.42Å; R276-E280 IonicContact NH2-OE1 3.13Å; R276-E280 PolarHBondContact NH2-OE1 3.17Å; R276-E280 PolarHBondContact O-N 3.12Å
277	L	86.4	Confident	85.1	Confident	84 Å²	84	89.1 Å²	89.1	44%	0.44	48%	0.477	S	S	.	.	H	α-helix	trans	-60.4	-39.7	179.7	-72.5	168.6	0	0	0	111.6	E273 E280 M281	E273-L277 WeakPolarHBondContact O-CB 3.44Å; E273-L277 VanDerWaalsContact O-CG 3.25Å; E273-L277 WeakPolarHBondContact O-CG 3.29Å; E273-L277 PolarHBondContact O-N 3.02Å; L277-E280 PolarHBondContact O-N 3.46Å; L277-M281 WeakPolarHBondContact O-CB 3.24Å; L277-M281 VanDerWaalsContact O-CG 3.27Å; L277-M281 WeakPolarHBondContact O-CG 3.48Å; L277-M281 PolarHBondContact O-N 2.95Å
278	S	82.7	Confident	84.7	Confident	59 Å²	59	89 Å²	89	41%	0.413	48%	0.479	S	S	.	.	H	α-helix	trans	-68.7	-32.2	172.9	54.7	0	0	0	0	112.8	N274 A275 R276 M281 N282	N274-S278 WeakPolarHBondContact O-CB 3.25Å; N274-S278 PolarHBondContact O-N 2.6Å; N274-S278 PolarHBondContact O-OG 3.21Å; A275-S278 WeakPolarHBondContact CA-OG 3.41Å; A275-S278 PolarHBondContact O-OG 2.98Å; A275-S278 VanDerWaalsContact O-OG 3.13Å; R276-S278 VanDerWaalsContact C-N 3.31Å; R276-S278 PolarHBondContact O-N 2.79Å; S278-M281 PolarHBondContact O-N 2.89Å; S278-N282 WeakPolarHBondContact O-CB 3.29Å; S278-N282 PolarHBondContact O-N 2.86Å; S278-N282 PolarHBondContact O-ND2 2.85Å; S278-N282 VanDerWaalsContact O-ND2 3.15Å
279	S	81.1	Confident	84.2	Confident	66 Å²	66	84.8 Å²	84.8	46%	0.462	47%	0.473	S	S	.	.	H	α-helix	trans	-66.6	-40.1	169.3	-168	0	0	0	0	112.6	A275 R276 N282 T283	A275-S279 VanDerWaalsContact O-CB 3.3Å; A275-S279 WeakPolarHBondContact O-CB 3.49Å; A275-S279 PolarHBondContact O-N 2.83Å; R276-S279 CarbonylContact O-C 3.58Å; R276-S279 WeakPolarHBondContact O-CA 3.26Å; R276-S279 VanDerWaalsContact O-CB 3.29Å; R276-S279 WeakPolarHBondContact O-CB 3.42Å; R276-S279 PolarHBondContact O-N 2.97Å; S279-N282 PolarHBondContact O-N 3.03Å; S279-T283 WeakPolarHBondContact O-CB 3.38Å; S279-T283 PolarHBondContact O-N 2.74Å; S279-T283 PolarHBondContact O-OG1 3.03Å
280	E	84.5	Confident	83.6	Confident	82 Å²	82	86.3 Å²	86.3	38%	0.383	47%	0.474	S	S	.	.	H	α-helix	trans	-66.3	-38.3	174.7	-71.2	178.1	-178.2	0	0	111.2	R276 L277 T283 S284	R276-E280 IonicContact CZ-OE1 2.74Å; R276-E280 VanDerWaalsContact CZ-OE1 3.29Å; R276-E280 IonicContact NE-OE1 2.76Å; R276-E280 PolarHBondContact NE-OE1 3.42Å; R276-E280 IonicContact NH2-OE1 3.13Å; R276-E280 PolarHBondContact NH2-OE1 3.17Å; R276-E280 PolarHBondContact O-N 3.12Å; L277-E280 PolarHBondContact O-N 3.46Å; E280-T283 WeakPolarHBondContact O-CB 3.47Å; E280-T283 PolarHBondContact O-N 2.59Å; E280-S284 PolarHBondContact O-N 3.14Å
281	M	80.5	Confident	83.1	Confident	116 Å²	116	90.4 Å²	90.4	57%	0.571	49%	0.485	S	S	*	.	H	α-helix	trans	-69.9	-36.6	172.5	-68.1	-63	137.2	0	0	113.4	L277 S278 T283 S284 T285	L277-M281 WeakPolarHBondContact O-CB 3.24Å; L277-M281 VanDerWaalsContact O-CG 3.27Å; L277-M281 WeakPolarHBondContact O-CG 3.48Å; L277-M281 PolarHBondContact O-N 2.95Å; S278-M281 PolarHBondContact O-N 2.89Å; M281-T283 VanDerWaalsContact C-N 3.25Å; M281-T283 PolarHBondContact O-N 2.98Å; M281-S284 WeakPolarHBondContact CA-OG 3.42Å; M281-S284 PolarHBondContact O-N 2.93Å; M281-S284 PolarHBondContact O-OG 3.41Å; M281-S284 VanDerWaalsContact O-OG 3.06Å; M281-T285 WeakPolarHBondContact O-CB 3.36Å; M281-T285 WeakPolarHBondContact O-CG2 3.43Å; M281-T285 PolarHBondContact O-N 3.03Å; M281-T285 PolarHBondContact O-OG1 3.04Å
282	N	82.7	Confident	82.6	Confident	105 Å²	105	90 Å²	90	56%	0.561	49%	0.485	S	S	*	.	H	α-helix	trans	-66.1	-32.2	170.6	-71.3	-24.7	0	0	0	111	S278 S279 T285 V286	S278-N282 WeakPolarHBondContact O-CB 3.29Å; S278-N282 PolarHBondContact O-N 2.86Å; S278-N282 PolarHBondContact O-ND2 2.85Å; S278-N282 VanDerWaalsContact O-ND2 3.15Å; S279-N282 PolarHBondContact O-N 3.03Å; N282-T285 WeakPolarHBondContact CA-OG1 3.34Å; N282-T285 PolarHBondContact O-OG1 2.86Å; N282-T285 VanDerWaalsContact O-OG1 3.12Å; N282-V286 WeakPolarHBondContact O-CB 3.27Å; N282-V286 WeakPolarHBondContact O-CG2 3.06Å; N282-V286 PolarHBondContact O-N 2.96Å; N282-V286 VanDerWaalsContact O-N 3.08Å
283	T	85.8	Confident	82.1	Confident	73 Å²	73	89.1 Å²	89.1	45%	0.448	48%	0.48	S	S	.	.	H	α-helix	trans	-73.4	-41.8	175.7	-56.9	0	0	0	0	111.7	S279 E280 M281 V286 N287	S279-T283 WeakPolarHBondContact O-CB 3.38Å; S279-T283 PolarHBondContact O-N 2.74Å; S279-T283 PolarHBondContact O-OG1 3.03Å; E280-T283 WeakPolarHBondContact O-CB 3.47Å; E280-T283 PolarHBondContact O-N 2.59Å; M281-T283 VanDerWaalsContact C-N 3.25Å; M281-T283 PolarHBondContact O-N 2.98Å; T283-V286 PolarHBondContact O-N 2.83Å; T283-N287 VanDerWaalsContact O-CG 3.3Å; T283-N287 PolarHBondContact O-N 2.92Å; T283-N287 PolarHBondContact O-ND2 2.76Å
284	S	79.7	Confident	81.6	Confident	57 Å²	57	90.8 Å²	90.8	40%	0.399	49%	0.49	S	S	.	.	H	α-helix	trans	-67.9	-39.6	177.6	67.8	0	0	0	0	112.4	E280 M281 N287 S288	E280-S284 PolarHBondContact O-N 3.14Å; M281-S284 WeakPolarHBondContact CA-OG 3.42Å; M281-S284 PolarHBondContact O-N 2.93Å; M281-S284 PolarHBondContact O-OG 3.41Å; M281-S284 VanDerWaalsContact O-OG 3.06Å; S284-N287 PolarHBondContact O-N 3.24Å; S284-S288 PolarHBondContact O-N 2.66Å
285	T	80.3	Confident	81.3	Confident	84 Å²	84	90.9 Å²	90.9	52%	0.515	49%	0.486	S	S	.	.	H	α-helix	trans	-66.4	-38.1	173	48.9	0	0	0	0	112.6	M281 N282 N287 S288 A289	M281-T285 WeakPolarHBondContact O-CB 3.36Å; M281-T285 WeakPolarHBondContact O-CG2 3.43Å; M281-T285 PolarHBondContact O-N 3.03Å; M281-T285 PolarHBondContact O-OG1 3.04Å; N282-T285 WeakPolarHBondContact CA-OG1 3.34Å; N282-T285 PolarHBondContact O-OG1 2.86Å; N282-T285 VanDerWaalsContact O-OG1 3.12Å; T285-N287 VanDerWaalsContact C-N 3.3Å; T285-N287 PolarHBondContact O-N 2.74Å; T285-S288 PolarHBondContact O-N 3Å; T285-A289 WeakPolarHBondContact O-CB 3.37Å; T285-A289 PolarHBondContact O-N 2.96Å
286	V	80	Confident	80.7	Confident	76 Å²	76	90 Å²	90	46%	0.461	48%	0.477	S	S	.	.	H	α-helix	trans	-63.3	-34.2	170.4	163.6	0	0	0	0	112.2	N282 T283 R290	N282-V286 WeakPolarHBondContact O-CB 3.27Å; N282-V286 WeakPolarHBondContact O-CG2 3.06Å; N282-V286 PolarHBondContact O-N 2.96Å; N282-V286 VanDerWaalsContact O-N 3.08Å; T283-V286 PolarHBondContact O-N 2.83Å; V286-R290 WeakPolarHBondContact O-CG 3.28Å; V286-R290 PolarHBondContact O-N 3.42Å
287	N	80.9	Confident	80.2	Confident	66 Å²	66	91.4 Å²	91.4	35%	0.353	48%	0.482	S	S	.	.	H	α-helix	trans	-72.7	-42.7	175.1	-71.3	-19.5	0	0	0	112.1	T283 S284 T285 A289 R290 E291	T283-N287 VanDerWaalsContact O-CG 3.3Å; T283-N287 PolarHBondContact O-N 2.92Å; T283-N287 PolarHBondContact O-ND2 2.76Å; S284-N287 PolarHBondContact O-N 3.24Å; T285-N287 VanDerWaalsContact C-N 3.3Å; T285-N287 PolarHBondContact O-N 2.74Å; N287-A289 VanDerWaalsContact C-N 3.32Å; N287-A289 PolarHBondContact O-N 3.11Å; N287-R290 CarbonylContact O-C 3.52Å; N287-R290 WeakPolarHBondContact O-CA 3.45Å; N287-R290 WeakPolarHBondContact O-CB 3.18Å; N287-R290 PolarHBondContact O-N 2.96Å; N287-E291 WeakPolarHBondContact O-CG 3.48Å; N287-E291 PolarHBondContact O-N 2.87Å
288	S	79.3	Confident	79.8	Confident	56 Å²	56	92.9 Å²	92.9	39%	0.392	49%	0.488	S	S	.	.	H	α-helix	trans	-55.2	-47.5	171	-169.7	0	0	0	0	111.3	S284 T285 R290 E291 E292	S284-S288 PolarHBondContact O-N 2.66Å; T285-S288 PolarHBondContact O-N 3Å; S288-R290 VanDerWaalsContact C-N 3.25Å; S288-R290 PolarHBondContact O-N 2.87Å; S288-E291 PolarHBondContact O-N 3.01Å; S288-E291 VanDerWaalsContact O-N 3.1Å; S288-E292 WeakPolarHBondContact O-CG 3.25Å; S288-E292 PolarHBondContact O-N 3.39Å; S288-E292 PolarHBondContact OG-OE1 2.76Å
289	A	77.4	Confident	79.8	Confident	54 Å²	54	96.8 Å²	96.8	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-64.1	-27.4	176.8	0	0	0	0	0	113.3	T285 N287 L293	T285-A289 WeakPolarHBondContact O-CB 3.37Å; T285-A289 PolarHBondContact O-N 2.96Å; N287-A289 VanDerWaalsContact C-N 3.32Å; N287-A289 PolarHBondContact O-N 3.11Å; A289-L293 VanDerWaalsContact O-CB 3.29Å; A289-L293 WeakPolarHBondContact O-CB 3.43Å; A289-L293 PolarHBondContact O-N 3.23Å; A289-L293 VanDerWaalsContact O-N 3.1Å
290	R	79.9	Confident	79.6	Confident	162 Å²	162	98.7 Å²	98.7	61%	0.611	50%	0.498	S	S	*	.	H	α-helix	trans	-75.2	-36.5	171.7	-81.1	171.6	162.8	173.5	-5.2	112.5	V286 N287 S288 L293 M294	V286-R290 WeakPolarHBondContact O-CG 3.28Å; V286-R290 PolarHBondContact O-N 3.42Å; N287-R290 CarbonylContact O-C 3.52Å; N287-R290 WeakPolarHBondContact O-CA 3.45Å; N287-R290 WeakPolarHBondContact O-CB 3.18Å; N287-R290 PolarHBondContact O-N 2.96Å; S288-R290 VanDerWaalsContact C-N 3.25Å; S288-R290 PolarHBondContact O-N 2.87Å; R290-L293 PolarHBondContact O-N 3.08Å; R290-M294 WeakPolarHBondContact O-CB 3.45Å; R290-M294 PolarHBondContact O-N 2.88Å
291	E	77.8	Confident	79.4	Confident	135 Å²	135	100.9 Å²	100.9	63%	0.631	51%	0.508	S	S	*	.	H	α-helix	trans	-68.3	-44.7	175.7	-72.2	169.8	-171.8	0	0	110.4	N287 S288 L293 M294 E295	N287-E291 WeakPolarHBondContact O-CG 3.48Å; N287-E291 PolarHBondContact O-N 2.87Å; S288-E291 PolarHBondContact O-N 3.01Å; S288-E291 VanDerWaalsContact O-N 3.1Å; E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 3.17Å; E291-M294 CarbonylContact O-C 3.57Å; E291-M294 WeakPolarHBondContact O-CB 3.28Å; E291-M294 PolarHBondContact O-N 3.35Å; E291-E295 PolarHBondContact O-N 3.48Å
292	E	78.9	Confident	79.4	Confident	117 Å²	117	98 Å²	98	55%	0.547	50%	0.5	S	S	.	.	H	α-helix	trans	-59	-37.8	170.2	-69.8	168.6	-132.9	0	0	112.6	S288 S296	S288-E292 WeakPolarHBondContact O-CG 3.25Å; S288-E292 PolarHBondContact O-N 3.39Å; S288-E292 PolarHBondContact OG-OE1 2.76Å; E292-S296 WeakPolarHBondContact O-CB 3.2Å; E292-S296 PolarHBondContact O-N 2.89Å; E292-S296 PolarHBondContact O-OG 3.01Å
293	L	76.2	Confident	78.9	Confident	93 Å²	93	97.8 Å²	97.8	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-68.3	-34.7	173.6	-170.9	70.1	0	0	0	112.3	A289 R290 E291 S296 R297	A289-L293 VanDerWaalsContact O-CB 3.29Å; A289-L293 WeakPolarHBondContact O-CB 3.43Å; A289-L293 PolarHBondContact O-N 3.23Å; A289-L293 VanDerWaalsContact O-N 3.1Å; R290-L293 PolarHBondContact O-N 3.08Å; E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 3.17Å; L293-S296 WeakPolarHBondContact CA-OG 3.38Å; L293-S296 PolarHBondContact O-OG 2.73Å; L293-S296 VanDerWaalsContact O-OG 3.12Å; L293-R297 WeakPolarHBondContact O-CB 3.41Å; L293-R297 WeakPolarHBondContact O-CD 3.46Å; L293-R297 WeakPolarHBondContact O-CG 3.34Å; L293-R297 PolarHBondContact O-N 3.03Å
294	M	78.4	Confident	78.6	Confident	126 Å²	126	97.4 Å²	97.4	62%	0.621	50%	0.498	S	S	*	.	H	α-helix	trans	-72.7	-44.5	176	-174.1	168.2	176.1	0	0	111.2	R290 E291 S296 R297 M298	R290-M294 WeakPolarHBondContact O-CB 3.45Å; R290-M294 PolarHBondContact O-N 2.88Å; E291-M294 CarbonylContact O-C 3.57Å; E291-M294 WeakPolarHBondContact O-CB 3.28Å; E291-M294 PolarHBondContact O-N 3.35Å; M294-S296 PolarHBondContact O-N 3.19Å; M294-R297 WeakPolarHBondContact O-CB 3.45Å; M294-R297 PolarHBondContact O-N 3.09Å; M294-M298 VanDerWaalsContact O-CG 3.29Å; M294-M298 WeakPolarHBondContact O-CG 3.41Å; M294-M298 PolarHBondContact O-N 2.66Å
295	E	80.2	Confident	78.5	Confident	111 Å²	111	97.4 Å²	97.4	52%	0.519	50%	0.498	S	S	.	.	H	α-helix	trans	-56.7	-49	172.7	-75.4	-157.9	154.4	0	0	111.6	E291 R297 M298 R299	E291-E295 PolarHBondContact O-N 3.48Å; E295-R297 VanDerWaalsContact C-N 3.34Å; E295-R297 PolarHBondContact O-N 2.97Å; E295-M298 PolarHBondContact O-N 2.91Å; E295-R299 WeakPolarHBondContact O-CB 3.23Å; E295-R299 PolarHBondContact O-N 3.41Å; E295-R299 IonicContact OE2-CZ 3.95Å; E295-R299 IonicContact OE2-NH1 3.24Å; E295-R299 IonicContact OE2-NH2 3.41Å; E295-R299 PolarHBondContact OE2-NH2 3.2Å
296	S	72.4	Confident	78.4	Confident	39 Å²	39	98.3 Å²	98.3	27%	0.273	50%	0.497	S	S	.	.	H	α-helix	trans	-65.8	-34.8	-179.4	52.4	0	0	0	0	112.5	E292 L293 M294 R299 I300	E292-S296 WeakPolarHBondContact O-CB 3.2Å; E292-S296 PolarHBondContact O-N 2.89Å; E292-S296 PolarHBondContact O-OG 3.01Å; L293-S296 WeakPolarHBondContact CA-OG 3.38Å; L293-S296 PolarHBondContact O-OG 2.73Å; L293-S296 VanDerWaalsContact O-OG 3.12Å; M294-S296 PolarHBondContact O-N 3.19Å; S296-R299 WeakPolarHBondContact O-CB 3.26Å; S296-R299 PolarHBondContact O-N 2.94Å; S296-I300 WeakPolarHBondContact O-CB 3.31Å; S296-I300 WeakPolarHBondContact O-CD1 3.44Å; S296-I300 VanDerWaalsContact O-CG1 3.24Å; S296-I300 WeakPolarHBondContact O-CG1 3.48Å; S296-I300 PolarHBondContact O-N 2.95Å
297	R	79.7	Confident	78.1	Confident	159 Å²	159	100.2 Å²	100.2	60%	0.6	50%	0.503	S	S	*	.	H	α-helix	trans	-60.2	-49.8	168.5	-78.2	167.6	175.8	-97.2	0.3	112.2	L293 M294 E295 R299 I300 E301	L293-R297 WeakPolarHBondContact O-CB 3.41Å; L293-R297 WeakPolarHBondContact O-CD 3.46Å; L293-R297 WeakPolarHBondContact O-CG 3.34Å; L293-R297 PolarHBondContact O-N 3.03Å; M294-R297 WeakPolarHBondContact O-CB 3.45Å; M294-R297 PolarHBondContact O-N 3.09Å; E295-R297 VanDerWaalsContact C-N 3.34Å; E295-R297 PolarHBondContact O-N 2.97Å; R297-R299 VanDerWaalsContact C-N 3.26Å; R297-R299 PolarHBondContact O-N 2.86Å; R297-I300 WeakPolarHBondContact O-CB 3.21Å; R297-I300 PolarHBondContact O-N 2.84Å; R297-I300 VanDerWaalsContact O-N 3.1Å; R297-E301 PolarHBondContact O-N 2.8Å
298	M	78.3	Confident	77.9	Confident	114 Å²	114	99.3 Å²	99.3	56%	0.562	50%	0.502	S	S	*	.	H	α-helix	trans	-61.1	-36.4	177.1	-64.4	-71.2	-78.8	0	0	111.7	M294 E295 S302	M294-M298 VanDerWaalsContact O-CG 3.29Å; M294-M298 WeakPolarHBondContact O-CG 3.41Å; M294-M298 PolarHBondContact O-N 2.66Å; E295-M298 PolarHBondContact O-N 2.91Å; M298-S302 WeakPolarHBondContact O-CB 3.3Å; M298-S302 PolarHBondContact O-N 2.62Å
299	R	81.6	Confident	77.7	Confident	141 Å²	141	100.6 Å²	100.6	53%	0.532	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-41	174.5	-137.1	167.3	-81.3	142.1	-5.5	111.6	E295 S296 R297 L303	E295-R299 WeakPolarHBondContact O-CB 3.23Å; E295-R299 PolarHBondContact O-N 3.41Å; E295-R299 IonicContact OE2-CZ 3.95Å; E295-R299 IonicContact OE2-NH1 3.24Å; E295-R299 IonicContact OE2-NH2 3.41Å; E295-R299 PolarHBondContact OE2-NH2 3.2Å; S296-R299 WeakPolarHBondContact O-CB 3.26Å; S296-R299 PolarHBondContact O-N 2.94Å; R297-R299 VanDerWaalsContact C-N 3.26Å; R297-R299 PolarHBondContact O-N 2.86Å; R299-L303 WeakPolarHBondContact O-CG 3.42Å; R299-L303 PolarHBondContact O-N 2.78Å; R299-L303 VanDerWaalsContact O-N 3.08Å
300	I	77.2	Confident	77.4	Confident	106 Å²	106	103.1 Å²	103.1	54%	0.544	51%	0.511	S	S	.	.	H	α-helix	trans	-68.2	-44	175.5	-71.5	162.6	0	0	0	111.4	S296 R297 L303 S304	S296-I300 WeakPolarHBondContact O-CB 3.31Å; S296-I300 WeakPolarHBondContact O-CD1 3.44Å; S296-I300 VanDerWaalsContact O-CG1 3.24Å; S296-I300 WeakPolarHBondContact O-CG1 3.48Å; S296-I300 PolarHBondContact O-N 2.95Å; R297-I300 WeakPolarHBondContact O-CB 3.21Å; R297-I300 PolarHBondContact O-N 2.84Å; R297-I300 VanDerWaalsContact O-N 3.1Å; I300-L303 PolarHBondContact O-N 2.56Å; I300-S304 VanDerWaalsContact O-CB 3.27Å; I300-S304 WeakPolarHBondContact O-CB 3.48Å; I300-S304 PolarHBondContact O-N 2.93Å; I300-S304 PolarHBondContact O-OG 3.39Å
301	E	79.9	Confident	77.2	Confident	128 Å²	128	101.2 Å²	101.2	60%	0.598	51%	0.509	S	S	*	.	H	α-helix	trans	-64.2	-41.3	177.5	-73	-179.1	168.1	0	0	111.5	R297 S304 S305	R297-E301 PolarHBondContact O-N 2.8Å; E301-S304 PolarHBondContact O-N 2.82Å; E301-S305 PolarHBondContact O-N 2.83Å
302	S	79.9	Confident	77.1	Confident	57 Å²	57	101.5 Å²	101.5	40%	0.399	51%	0.507	S	S	.	.	H	α-helix	trans	-58.5	-52.3	173.2	-176.2	0	0	0	0	112	M298 S304 S305 Q306	M298-S302 WeakPolarHBondContact O-CB 3.3Å; M298-S302 PolarHBondContact O-N 2.62Å; S302-S304 VanDerWaalsContact C-N 3.31Å; S302-S304 PolarHBondContact O-N 2.86Å; S302-S305 PolarHBondContact O-N 3.39Å; S302-S305 PolarHBondContact O-OG 3.49Å; S302-Q306 WeakPolarHBondContact O-CG 3.44Å; S302-Q306 PolarHBondContact O-N 2.91Å; S302-Q306 VanDerWaalsContact O-N 3.11Å
303	L	74	Confident	77	Confident	100 Å²	100	101.9 Å²	101.9	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-34.8	177.8	-72.4	167.7	0	0	0	112.6	R299 I300 Q306 L307	R299-L303 WeakPolarHBondContact O-CG 3.42Å; R299-L303 PolarHBondContact O-N 2.78Å; R299-L303 VanDerWaalsContact O-N 3.08Å; I300-L303 PolarHBondContact O-N 2.56Å; L303-Q306 PolarHBondContact O-N 2.87Å; L303-L307 PolarHBondContact O-N 3.15Å
304	S	77.6	Confident	76.7	Confident	64 Å²	64	100.8 Å²	100.8	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-66.6	-37.5	175.2	-58.4	0	0	0	0	112	I300 E301 S302 S308	I300-S304 VanDerWaalsContact O-CB 3.27Å; I300-S304 WeakPolarHBondContact O-CB 3.48Å; I300-S304 PolarHBondContact O-N 2.93Å; I300-S304 PolarHBondContact O-OG 3.39Å; E301-S304 PolarHBondContact O-N 2.82Å; S302-S304 VanDerWaalsContact C-N 3.31Å; S302-S304 PolarHBondContact O-N 2.86Å; S304-S308 WeakPolarHBondContact O-CB 3.45Å; S304-S308 PolarHBondContact O-N 3.45Å
305	S	78.9	Confident	76.6	Confident	58 Å²	58	102.3 Å²	102.3	41%	0.406	51%	0.508	S	S	.	.	H	α-helix	trans	-65.9	-38.7	174.1	79.9	0	0	0	0	112.3	E301 S302 S308 N309	E301-S305 PolarHBondContact O-N 2.83Å; S302-S305 PolarHBondContact O-N 3.39Å; S302-S305 PolarHBondContact O-OG 3.49Å; S305-S308 WeakPolarHBondContact O-CB 3.31Å; S305-S308 PolarHBondContact O-N 2.7Å; S305-N309 VanDerWaalsContact O-CG 3.27Å; S305-N309 PolarHBondContact O-N 3.09Å; S305-N309 VanDerWaalsContact O-N 3.14Å; S305-N309 PolarHBondContact O-ND2 2.83Å; S305-N309 PolarHBondContact O-OD1 2.98Å
306	Q	78.4	Confident	76.4	Confident	102 Å²	102	99.7 Å²	99.7	48%	0.477	51%	0.506	S	S	.	.	H	α-helix	trans	-66.7	-44.4	176.6	-68.2	173.8	8.3	0	0	111.3	S302 L303 S308 N309 L310	S302-Q306 WeakPolarHBondContact O-CG 3.44Å; S302-Q306 PolarHBondContact O-N 2.91Å; S302-Q306 VanDerWaalsContact O-N 3.11Å; L303-Q306 PolarHBondContact O-N 2.87Å; Q306-S308 PolarHBondContact O-N 3.35Å; Q306-N309 PolarHBondContact O-N 3.45Å; Q306-L310 PolarHBondContact O-N 3.03Å; Q306-L310 VanDerWaalsContact O-N 3.08Å
307	L	73.5	Confident	76.5	Confident	116 Å²	116	101.6 Å²	101.6	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-59.1	-44.5	172.1	-81.6	167.5	0	0	0	112	L303 N309 L310 Q311	L303-L307 PolarHBondContact O-N 3.15Å; L307-N309 VanDerWaalsContact C-N 3.27Å; L307-N309 PolarHBondContact O-N 3.48Å; L307-L310 PolarHBondContact O-N 2.92Å; L307-Q311 WeakPolarHBondContact O-CB 3.39Å; L307-Q311 PolarHBondContact O-N 2.94Å
308	S	76.7	Confident	76.1	Confident	47 Å²	47	99.1 Å²	99.1	33%	0.329	52%	0.516	S	S	.	.	H	α-helix	trans	-53.2	-43.5	175	141.4	0	0	0	0	112.4	S304 S305 Q306 K312	S304-S308 WeakPolarHBondContact O-CB 3.45Å; S304-S308 PolarHBondContact O-N 3.45Å; S305-S308 WeakPolarHBondContact O-CB 3.31Å; S305-S308 PolarHBondContact O-N 2.7Å; Q306-S308 PolarHBondContact O-N 3.35Å; S308-K312 WeakPolarHBondContact O-CG 3.17Å; S308-K312 PolarHBondContact O-N 2.91Å; S308-K312 VanDerWaalsContact O-N 3.16Å
309	N	75.3	Confident	76	Confident	83 Å²	83	99.8 Å²	99.8	44%	0.444	52%	0.518	S	S	.	.	H	α-helix	trans	-74.4	-47.1	-175.5	-65.2	-11.4	0	0	0	111.6	S305 Q306 L307 Q311 K312 E313	S305-N309 VanDerWaalsContact O-CG 3.27Å; S305-N309 PolarHBondContact O-N 3.09Å; S305-N309 VanDerWaalsContact O-N 3.14Å; S305-N309 PolarHBondContact O-ND2 2.83Å; S305-N309 PolarHBondContact O-OD1 2.98Å; Q306-N309 PolarHBondContact O-N 3.45Å; L307-N309 VanDerWaalsContact C-N 3.27Å; L307-N309 PolarHBondContact O-N 3.48Å; N309-Q311 PolarHBondContact O-N 2.83Å; N309-K312 WeakPolarHBondContact O-CB 3.43Å; N309-K312 PolarHBondContact O-N 3.38Å; N309-E313 PolarHBondContact O-N 3.08Å
310	L	70	Confident	75.7	Confident	108 Å²	108	100.2 Å²	100.2	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-58	-35.3	173.1	-69.7	168.8	0	0	0	112	Q306 L307 K312 E313 S314	Q306-L310 PolarHBondContact O-N 3.03Å; Q306-L310 VanDerWaalsContact O-N 3.08Å; L307-L310 PolarHBondContact O-N 2.92Å; L310-K312 VanDerWaalsContact C-N 3.34Å; L310-E313 PolarHBondContact O-N 2.88Å; L310-S314 WeakPolarHBondContact O-CB 3.17Å; L310-S314 PolarHBondContact O-N 3.1Å
311	Q	75.6	Confident	75.5	Confident	122 Å²	122	99 Å²	99	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-72.8	-24.1	177.7	-160.9	174.3	39.5	0	0	113.2	L307 N309 R315	L307-Q311 WeakPolarHBondContact O-CB 3.39Å; L307-Q311 PolarHBondContact O-N 2.94Å; N309-Q311 PolarHBondContact O-N 2.83Å; Q311-R315 WeakPolarHBondContact O-CG 3.28Å
312	K	76.2	Confident	75.4	Confident	140 Å²	140	99.6 Å²	99.6	61%	0.609	52%	0.516	S	S	*	.	H	α-helix	trans	-76.5	-46.5	168.6	-73.7	172.7	-179.5	170.8	0	111.6	S308 N309 L310 S314 R315 A316	S308-K312 WeakPolarHBondContact O-CG 3.17Å; S308-K312 PolarHBondContact O-N 2.91Å; S308-K312 VanDerWaalsContact O-N 3.16Å; N309-K312 WeakPolarHBondContact O-CB 3.43Å; N309-K312 PolarHBondContact O-N 3.38Å; L310-K312 VanDerWaalsContact C-N 3.34Å; K312-S314 VanDerWaalsContact C-N 3.3Å; K312-S314 PolarHBondContact O-N 3.06Å; K312-R315 PolarHBondContact O-N 3.17Å; K312-A316 PolarHBondContact O-N 2.88Å
313	E	76.2	Confident	75.1	Confident	126 Å²	126	101.9 Å²	101.9	59%	0.589	52%	0.521	S	S	*	.	H	α-helix	trans	-58.3	-43.2	177.8	-70.2	170.8	-179.7	0	0	111.3	N309 L310 R315 A316 C317	N309-E313 PolarHBondContact O-N 3.08Å; L310-E313 PolarHBondContact O-N 2.88Å; E313-R315 VanDerWaalsContact C-N 3.29Å; E313-R315 PolarHBondContact O-N 3.17Å; E313-A316 PolarHBondContact O-N 3.13Å; E313-C317 WeakPolarHBondContact O-CB 3.35Å; E313-C317 PolarHBondContact O-N 3.44Å
314	S	70.9	Confident	74.9	Confident	70 Å²	70	102.2 Å²	102.2	49%	0.49	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-31.1	174.6	-177.6	0	0	0	0	113.9	L310 K312 L318	L310-S314 WeakPolarHBondContact O-CB 3.17Å; L310-S314 PolarHBondContact O-N 3.1Å; K312-S314 VanDerWaalsContact C-N 3.3Å; K312-S314 PolarHBondContact O-N 3.06Å; S314-L318 WeakPolarHBondContact O-CD1 3.29Å; S314-L318 VanDerWaalsContact O-CG 3.29Å; S314-L318 WeakPolarHBondContact O-CG 3.48Å; S314-L318 PolarHBondContact O-N 3.03Å
315	R	75.4	Confident	74.8	Confident	158 Å²	158	105 Å²	105	60%	0.596	53%	0.528	S	S	*	.	H	α-helix	trans	-76.4	-48.1	176.9	-74.4	177	-176.6	-174.9	2.4	111.4	Q311 K312 E313 C317 L318 E319	Q311-R315 WeakPolarHBondContact O-CG 3.28Å; K312-R315 PolarHBondContact O-N 3.17Å; E313-R315 VanDerWaalsContact C-N 3.29Å; E313-R315 PolarHBondContact O-N 3.17Å; R315-C317 PolarHBondContact O-N 3.46Å; R315-L318 PolarHBondContact O-N 2.85Å; R315-E319 PolarHBondContact O-N 3.05Å
316	A	77.3	Confident	74.6	Confident	56 Å²	56	106.9 Å²	106.9	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-58.4	-36.4	177.1	0	0	0	0	0	112.1	K312 E313 R320	K312-A316 PolarHBondContact O-N 2.88Å; E313-A316 PolarHBondContact O-N 3.13Å; A316-R320 WeakPolarHBondContact O-CB 3.46Å; A316-R320 PolarHBondContact O-N 2.9Å; A316-R320 VanDerWaalsContact O-N 3.15Å
317	C	73.2	Confident	74.3	Confident	78 Å²	78	107.8 Å²	107.8	53%	0.527	54%	0.539	S	S	.	.	H	α-helix	trans	-69.2	-32.5	175.5	-162.4	0	0	0	0	113.3	E313 R315 I321	E313-C317 WeakPolarHBondContact O-CB 3.35Å; E313-C317 PolarHBondContact O-N 3.44Å; R315-C317 PolarHBondContact O-N 3.46Å; C317-I321 WeakPolarHBondContact O-CD1 3.29Å; C317-I321 WeakPolarHBondContact O-CG1 3.46Å; C317-I321 PolarHBondContact O-N 3.06Å
318	L	72.8	Confident	74.5	Confident	108 Å²	108	106.3 Å²	106.3	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-74.5	-44.5	177	-74.7	167.5	0	0	0	112.1	S314 R315 R320 I321 Q322	S314-L318 WeakPolarHBondContact O-CD1 3.29Å; S314-L318 VanDerWaalsContact O-CG 3.29Å; S314-L318 WeakPolarHBondContact O-CG 3.48Å; S314-L318 PolarHBondContact O-N 3.03Å; R315-L318 PolarHBondContact O-N 2.85Å; L318-R320 PolarHBondContact O-N 3.03Å; L318-I321 PolarHBondContact O-N 2.87Å; L318-I321 VanDerWaalsContact O-N 3.12Å; L318-Q322 PolarHBondContact O-N 3.28Å; L318-Q322 VanDerWaalsContact O-N 3.1Å
319	E	74.9	Confident	74.5	Confident	127 Å²	127	106.4 Å²	106.4	59%	0.593	54%	0.535	S	S	*	.	H	α-helix	trans	-56.8	-42.1	174.3	-70.3	168	177	0	0	110.6	R315 I321 Q322 E323	R315-E319 PolarHBondContact O-N 3.05Å; E319-I321 VanDerWaalsContact C-N 3.33Å; E319-I321 PolarHBondContact O-N 2.92Å; E319-Q322 PolarHBondContact O-N 3.01Å; E319-E323 PolarHBondContact O-N 3.24Å; E319-E323 VanDerWaalsContact O-N 3.09Å
320	R	75.4	Confident	74.5	Confident	150 Å²	150	107.5 Å²	107.5	57%	0.566	54%	0.536	S	S	*	.	H	α-helix	trans	-66.6	-28.6	178	-166.3	55.9	168.6	172.6	0.7	114.3	A316 L318 E323 L324	A316-R320 WeakPolarHBondContact O-CB 3.46Å; A316-R320 PolarHBondContact O-N 2.9Å; A316-R320 VanDerWaalsContact O-N 3.15Å; L318-R320 PolarHBondContact O-N 3.03Å; R320-E323 WeakPolarHBondContact CD-OE2 3.39Å; R320-E323 IonicContact CZ-OE2 3.12Å; R320-E323 IonicContact NE-OE2 3.65Å; R320-E323 IonicContact NH1-OE2 3.93Å; R320-E323 PolarHBondContact NH1-OE2 3.42Å; R320-L324 WeakPolarHBondContact O-CD1 3.43Å; R320-L324 WeakPolarHBondContact O-CG 3.32Å
321	I	73.9	Confident	74.5	Confident	81 Å²	81	108.8 Å²	108.8	42%	0.415	54%	0.539	S	S	.	.	H	α-helix	trans	-71.3	-45.2	172.5	-71.1	163.2	0	0	0	109.6	C317 L318 E319 E323 L324 E325	C317-I321 WeakPolarHBondContact O-CD1 3.29Å; C317-I321 WeakPolarHBondContact O-CG1 3.46Å; C317-I321 PolarHBondContact O-N 3.06Å; L318-I321 PolarHBondContact O-N 2.87Å; L318-I321 VanDerWaalsContact O-N 3.12Å; E319-I321 VanDerWaalsContact C-N 3.33Å; E319-I321 PolarHBondContact O-N 2.92Å; I321-E323 PolarHBondContact O-N 3.35Å; I321-L324 PolarHBondContact O-N 3.46Å; I321-L324 VanDerWaalsContact O-N 3.08Å; I321-E325 HydrophobicContact CG2-CG 4.28Å; I321-E325 WeakPolarHBondContact O-CG 3.22Å; I321-E325 PolarHBondContact O-N 2.87Å
322	Q	77.5	Confident	74.5	Confident	140 Å²	140	108.7 Å²	108.7	65%	0.654	54%	0.537	S	S	*	.	H	α-helix	trans	-59	-43.7	179.3	-115.8	176.8	-17.8	0	0	112.4	L318 E319 L324 E325 D326	L318-Q322 PolarHBondContact O-N 3.28Å; L318-Q322 VanDerWaalsContact O-N 3.1Å; E319-Q322 PolarHBondContact O-N 3.01Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 2.87Å; Q322-E325 PolarHBondContact O-N 3.21Å; Q322-D326 WeakPolarHBondContact O-CB 3.47Å; Q322-D326 PolarHBondContact O-N 3.29Å; Q322-D326 VanDerWaalsContact O-N 3.08Å
323	E	74.3	Confident	74.5	Confident	106 Å²	106	105.6 Å²	105.6	50%	0.495	53%	0.527	S	S	.	.	H	α-helix	trans	-56.4	-40.8	173.9	-70.4	-175.6	136.3	0	0	113.1	E319 R320 I321 M327	E319-E323 PolarHBondContact O-N 3.24Å; E319-E323 VanDerWaalsContact O-N 3.09Å; R320-E323 WeakPolarHBondContact CD-OE2 3.39Å; R320-E323 IonicContact CZ-OE2 3.12Å; R320-E323 IonicContact NE-OE2 3.65Å; R320-E323 IonicContact NH1-OE2 3.93Å; R320-E323 PolarHBondContact NH1-OE2 3.42Å; I321-E323 PolarHBondContact O-N 3.35Å; E323-M327 VanDerWaalsContact O-CG 3.32Å; E323-M327 WeakPolarHBondContact O-CG 3.45Å; E323-M327 PolarHBondContact O-N 3.38Å
324	L	69.1	Low	74.4	Confident	107 Å²	107	104.4 Å²	104.4	56%	0.56	52%	0.524	S	S	*	.	H	α-helix	trans	-75.1	-38	-177	-70.2	170.5	0	0	0	112.3	R320 I321 Q322 D326 M327 L328	R320-L324 WeakPolarHBondContact O-CD1 3.43Å; R320-L324 WeakPolarHBondContact O-CG 3.32Å; I321-L324 PolarHBondContact O-N 3.46Å; I321-L324 VanDerWaalsContact O-N 3.08Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 2.87Å; L324-D326 VanDerWaalsContact C-N 3.35Å; L324-M327 PolarHBondContact O-N 3.01Å; L324-L328 VanDerWaalsContact O-CB 3.31Å; L324-L328 WeakPolarHBondContact O-CB 3.38Å; L324-L328 PolarHBondContact O-N 2.93Å
325	E	75.2	Confident	74.5	Confident	123 Å²	123	104.2 Å²	104.2	58%	0.575	52%	0.523	S	S	*	.	H	α-helix	trans	-63.6	-42.2	174.4	-70	-177	146.5	0	0	111.3	I321 Q322 M327 L328 A329	I321-E325 HydrophobicContact CG2-CG 4.28Å; I321-E325 WeakPolarHBondContact O-CG 3.22Å; I321-E325 PolarHBondContact O-N 2.87Å; Q322-E325 PolarHBondContact O-N 3.21Å; E325-M327 VanDerWaalsContact C-N 3.34Å; E325-M327 PolarHBondContact O-N 2.86Å; E325-L328 PolarHBondContact O-N 3.3Å; E325-A329 WeakPolarHBondContact O-CB 3.34Å; E325-A329 PolarHBondContact O-N 3.02Å
326	D	75.6	Confident	74.5	Confident	96 Å²	96	105.2 Å²	105.2	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-71.5	-27.1	-178.4	-142.3	53.5	0	0	0	112.8	Q322 L324 K330	Q322-D326 WeakPolarHBondContact O-CB 3.47Å; Q322-D326 PolarHBondContact O-N 3.29Å; Q322-D326 VanDerWaalsContact O-N 3.08Å; L324-D326 VanDerWaalsContact C-N 3.35Å; D326-K330 WeakPolarHBondContact O-CD 3.49Å; D326-K330 VanDerWaalsContact O-CG 3.31Å; D326-K330 WeakPolarHBondContact O-CG 3.46Å; D326-K330 PolarHBondContact O-NZ 3.5Å; D326-K330 IonicContact OD2-NZ 2.68Å; D326-K330 PolarHBondContact OD2-NZ 3.4Å
327	M	72.2	Confident	74.3	Confident	122 Å²	122	109.4 Å²	109.4	60%	0.601	53%	0.531	S	S	*	.	H	α-helix	trans	-76.5	-44.6	170.3	-73.9	-63.6	-67.8	0	0	111.8	E323 L324 E325 A329 K330 E331	E323-M327 VanDerWaalsContact O-CG 3.32Å; E323-M327 WeakPolarHBondContact O-CG 3.45Å; E323-M327 PolarHBondContact O-N 3.38Å; L324-M327 PolarHBondContact O-N 3.01Å; E325-M327 VanDerWaalsContact C-N 3.34Å; E325-M327 PolarHBondContact O-N 2.86Å; M327-A329 PolarHBondContact O-N 3.02Å; M327-K330 PolarHBondContact O-N 2.99Å; M327-K330 VanDerWaalsContact O-N 3.16Å; M327-E331 PolarHBondContact O-N 3.2Å; M327-E331 VanDerWaalsContact O-N 3.1Å
328	L	76.6	Confident	74.1	Confident	84 Å²	84	111.3 Å²	111.3	44%	0.44	53%	0.534	S	S	.	.	H	α-helix	trans	-61.2	-32.6	176.8	-176.1	66.8	0	0	0	112.3	L324 E325 K332	L324-L328 VanDerWaalsContact O-CB 3.31Å; L324-L328 WeakPolarHBondContact O-CB 3.38Å; L324-L328 PolarHBondContact O-N 2.93Å; E325-L328 PolarHBondContact O-N 3.3Å; L328-K332 HydrophobicContact CG-CD 4.34Å; L328-K332 WeakPolarHBondContact O-CD 3.33Å; L328-K332 VanDerWaalsContact O-CG 3.26Å; L328-K332 WeakPolarHBondContact O-CG 3.33Å; L328-K332 PolarHBondContact O-N 3.12Å
329	A	77.1	Confident	74.1	Confident	49 Å²	49	111.1 Å²	111.1	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-64.2	-48.1	173.2	0	0	0	0	0	112.2	E325 M327 E331 K332 D333	E325-A329 WeakPolarHBondContact O-CB 3.34Å; E325-A329 PolarHBondContact O-N 3.02Å; M327-A329 PolarHBondContact O-N 3.02Å; A329-E331 VanDerWaalsContact C-N 3.34Å; A329-E331 PolarHBondContact O-N 3Å; A329-K332 PolarHBondContact O-N 2.86Å; A329-D333 PolarHBondContact O-N 2.93Å; A329-D333 VanDerWaalsContact O-N 3.13Å
330	K	74.3	Confident	74	Confident	106 Å²	106	108.8 Å²	108.8	46%	0.461	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-39.7	-179.8	-66.6	171.1	-171.1	98.7	0	112	D326 M327 D333 N334	D326-K330 WeakPolarHBondContact O-CD 3.49Å; D326-K330 VanDerWaalsContact O-CG 3.31Å; D326-K330 WeakPolarHBondContact O-CG 3.46Å; D326-K330 PolarHBondContact O-NZ 3.5Å; D326-K330 IonicContact OD2-NZ 2.68Å; D326-K330 PolarHBondContact OD2-NZ 3.4Å; M327-K330 PolarHBondContact O-N 2.99Å; M327-K330 VanDerWaalsContact O-N 3.16Å; K330-D333 PolarHBondContact O-N 3.4Å; K330-N334 PolarHBondContact O-N 3.17Å; K330-N334 VanDerWaalsContact O-N 3.09Å
331	E	71.2	Confident	73.9	Confident	135 Å²	135	106 Å²	106	63%	0.631	52%	0.523	S	S	*	.	H	α-helix	trans	-69.9	-37.6	179	-168.9	165.1	-145.5	0	0	112.8	M327 A329 S335	M327-E331 PolarHBondContact O-N 3.2Å; M327-E331 VanDerWaalsContact O-N 3.1Å; A329-E331 VanDerWaalsContact C-N 3.34Å; A329-E331 PolarHBondContact O-N 3Å; E331-S335 WeakPolarHBondContact O-CB 3.31Å; E331-S335 PolarHBondContact O-N 2.95Å; E331-S335 PolarHBondContact O-OG 2.88Å
332	K	75.5	Confident	73.9	Confident	121 Å²	121	107 Å²	107	53%	0.526	53%	0.525	S	S	.	.	H	α-helix	trans	-62.4	-41.3	172.3	-76.3	167.7	-179.3	168	0	112.6	L328 A329 S335 R336	L328-K332 HydrophobicContact CG-CD 4.34Å; L328-K332 WeakPolarHBondContact O-CD 3.33Å; L328-K332 VanDerWaalsContact O-CG 3.26Å; L328-K332 WeakPolarHBondContact O-CG 3.33Å; L328-K332 PolarHBondContact O-N 3.12Å; A329-K332 PolarHBondContact O-N 2.86Å; K332-S335 PolarHBondContact O-N 2.95Å; K332-R336 PolarHBondContact O-N 3.42Å
333	D	75.4	Confident	73.8	Confident	75 Å²	75	106 Å²	106	40%	0.401	52%	0.52	S	S	.	.	H	α-helix	trans	-72.2	-38.2	-179.6	-103.7	21.2	0	0	0	112.9	A329 K330 R336 R337	A329-D333 PolarHBondContact O-N 2.93Å; A329-D333 VanDerWaalsContact O-N 3.13Å; K330-D333 PolarHBondContact O-N 3.4Å; D333-R336 PolarHBondContact O-N 3.29Å; D333-R337 WeakPolarHBondContact O-CG 3.37Å; D333-R337 PolarHBondContact O-N 2.85Å; D333-R337 IonicContact OD2-NH2 2.66Å
334	N	75.3	Confident	73.8	Confident	100 Å²	100	108.9 Å²	108.9	54%	0.535	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-43.8	169.8	-86.3	-3.7	0	0	0	111.5	K330 R336 R337 M338	K330-N334 PolarHBondContact O-N 3.17Å; K330-N334 VanDerWaalsContact O-N 3.09Å; N334-R336 VanDerWaalsContact C-N 3.29Å; N334-R336 PolarHBondContact O-N 2.85Å; N334-R337 PolarHBondContact O-N 3.37Å; N334-M338 WeakPolarHBondContact O-CG 3.34Å; N334-M338 PolarHBondContact O-N 3.49Å; N334-M338 VanDerWaalsContact O-N 3.13Å
335	S	71.9	Confident	74	Confident	67 Å²	67	108 Å²	108	47%	0.469	52%	0.52	S	S	.	.	H	α-helix	trans	-60.4	-38	177.1	-59	0	0	0	0	112.3	E331 K332 L339	E331-S335 WeakPolarHBondContact O-CB 3.31Å; E331-S335 PolarHBondContact O-N 2.95Å; E331-S335 PolarHBondContact O-OG 2.88Å; K332-S335 PolarHBondContact O-N 2.95Å; S335-L339 PolarHBondContact O-N 3.34Å; S335-L339 VanDerWaalsContact O-N 3.08Å
336	R	76.4	Confident	73.8	Confident	179 Å²	179	106.7 Å²	106.7	68%	0.675	52%	0.515	S	S	*	.	H	α-helix	trans	-62.8	-44.5	174.3	-93	178.8	161.2	169.9	-6.3	113.3	K332 D333 N334 L339 T340	K332-R336 PolarHBondContact O-N 3.42Å; D333-R336 PolarHBondContact O-N 3.29Å; N334-R336 VanDerWaalsContact C-N 3.29Å; N334-R336 PolarHBondContact O-N 2.85Å; R336-L339 WeakPolarHBondContact O-CB 3.38Å; R336-L339 PolarHBondContact O-N 3.37Å; R336-T340 PolarHBondContact O-N 3.21Å; R336-T340 PolarHBondContact O-OG1 2.96Å
337	R	72.4	Confident	73.8	Confident	143 Å²	143	104.4 Å²	104.4	54%	0.54	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-45.6	179.9	-66.7	170.4	-163.7	163.7	7.4	111.4	D333 N334 L339 T340 D341	D333-R337 WeakPolarHBondContact O-CG 3.37Å; D333-R337 PolarHBondContact O-N 2.85Å; D333-R337 IonicContact OD2-NH2 2.66Å; N334-R337 PolarHBondContact O-N 3.37Å; R337-L339 PolarHBondContact O-N 3.34Å; R337-T340 WeakPolarHBondContact CA-OG1 3.47Å; R337-T340 PolarHBondContact O-N 3.12Å; R337-T340 PolarHBondContact O-OG1 3.34Å; R337-D341 PolarHBondContact O-N 2.9Å
338	M	68.5	Low	73.9	Confident	119 Å²	119	102.7 Å²	102.7	59%	0.586	50%	0.499	S	S	*	.	H	α-helix	trans	-59.3	-35.2	173.9	-67	-60	-58.4	0	0	112.4	N334 K342	N334-M338 WeakPolarHBondContact O-CG 3.34Å; N334-M338 PolarHBondContact O-N 3.49Å; N334-M338 VanDerWaalsContact O-N 3.13Å; M338-K342 WeakPolarHBondContact O-CG 3.21Å; M338-K342 PolarHBondContact O-N 2.95Å
339	L	73.1	Confident	73.9	Confident	103 Å²	103	103.4 Å²	103.4	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-66.2	-50.5	173.3	-108.7	164.7	0	0	0	111.9	S335 R336 R337 D341 K342 E343	S335-L339 PolarHBondContact O-N 3.34Å; S335-L339 VanDerWaalsContact O-N 3.08Å; R336-L339 WeakPolarHBondContact O-CB 3.38Å; R336-L339 PolarHBondContact O-N 3.37Å; R337-L339 PolarHBondContact O-N 3.34Å; L339-D341 VanDerWaalsContact C-N 3.3Å; L339-D341 PolarHBondContact O-N 3.48Å; L339-K342 PolarHBondContact O-N 3.16Å; L339-K342 VanDerWaalsContact O-N 3.17Å; L339-E343 HydrophobicContact CD2-CG 4.46Å; L339-E343 WeakPolarHBondContact O-CB 3.31Å; L339-E343 WeakPolarHBondContact O-CG 3.43Å; L339-E343 PolarHBondContact O-N 3.44Å
340	T	74.1	Confident	73.8	Confident	78 Å²	78	108 Å²	108	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-35.4	-178.3	48.5	0	0	0	0	113	R336 R337 R344	R336-T340 PolarHBondContact O-N 3.21Å; R336-T340 PolarHBondContact O-OG1 2.96Å; R337-T340 WeakPolarHBondContact CA-OG1 3.47Å; R337-T340 PolarHBondContact O-N 3.12Å; R337-T340 PolarHBondContact O-OG1 3.34Å; T340-R344 WeakPolarHBondContact O-CB 3.42Å; T340-R344 PolarHBondContact O-N 3.36Å
341	D	72.6	Confident	73.9	Confident	92 Å²	92	108.6 Å²	108.6	49%	0.492	52%	0.517	S	S	.	.	H	α-helix	trans	-68.4	-39.4	176.6	-66.2	-22.2	0	0	0	111.3	R337 L339 R344 E345	R337-D341 PolarHBondContact O-N 2.9Å; L339-D341 VanDerWaalsContact C-N 3.3Å; L339-D341 PolarHBondContact O-N 3.48Å; D341-R344 WeakPolarHBondContact O-CB 3.49Å; D341-R344 PolarHBondContact O-N 3Å; D341-E345 PolarHBondContact O-N 3.37Å
342	K	73.6	Confident	74	Confident	102 Å²	102	107.9 Å²	107.9	44%	0.443	51%	0.514	S	S	.	.	H	α-helix	trans	-75	-31	175.3	-66.6	-48.8	-173.6	-170.1	0	113.9	M338 L339 R344 E345 M346	M338-K342 WeakPolarHBondContact O-CG 3.21Å; M338-K342 PolarHBondContact O-N 2.95Å; L339-K342 PolarHBondContact O-N 3.16Å; L339-K342 VanDerWaalsContact O-N 3.17Å; K342-R344 VanDerWaalsContact C-N 3.27Å; K342-R344 PolarHBondContact O-N 3.47Å; K342-E345 WeakPolarHBondContact CD-OE2 3.36Å; K342-E345 IonicContact NZ-OE1 2.59Å; K342-E345 PolarHBondContact NZ-OE1 2.85Å; K342-E345 IonicContact NZ-OE2 3.02Å; K342-E345 PolarHBondContact NZ-OE2 2.68Å; K342-M346 VanDerWaalsContact O-CB 3.3Å; K342-M346 WeakPolarHBondContact O-CB 3.05Å; K342-M346 WeakPolarHBondContact O-CG 3.44Å; K342-M346 PolarHBondContact O-N 3.01Å
343	E	75.2	Confident	73.7	Confident	119 Å²	119	107.5 Å²	107.5	56%	0.556	52%	0.516	S	S	*	.	H	α-helix	trans	-63.6	-35.6	169.1	-74.8	176.7	159.6	0	0	111.3	L339 A347	L339-E343 HydrophobicContact CD2-CG 4.46Å; L339-E343 WeakPolarHBondContact O-CB 3.31Å; L339-E343 WeakPolarHBondContact O-CG 3.43Å; L339-E343 PolarHBondContact O-N 3.44Å; E343-A347 PolarHBondContact O-N 2.91Å; E343-A347 VanDerWaalsContact O-N 3.07Å
344	R	74.8	Confident	73.5	Confident	167 Å²	167	109 Å²	109	63%	0.63	52%	0.52	S	S	*	.	H	α-helix	trans	-69.1	-48.3	174.2	-170.1	-166.9	149.9	142.9	4	112.5	T340 D341 K342 M346 A347 E348	T340-R344 WeakPolarHBondContact O-CB 3.42Å; T340-R344 PolarHBondContact O-N 3.36Å; D341-R344 WeakPolarHBondContact O-CB 3.49Å; D341-R344 PolarHBondContact O-N 3Å; K342-R344 VanDerWaalsContact C-N 3.27Å; K342-R344 PolarHBondContact O-N 3.47Å; R344-M346 VanDerWaalsContact C-N 3.25Å; R344-M346 PolarHBondContact O-N 3.07Å; R344-A347 WeakPolarHBondContact O-CB 3.39Å; R344-A347 PolarHBondContact O-N 3.38Å; R344-E348 IonicContact CZ-OE1 2.66Å; R344-E348 IonicContact NE-OE1 3.16Å; R344-E348 PolarHBondContact NE-OE1 3.49Å; R344-E348 IonicContact NH2-OE1 2.66Å; R344-E348 PolarHBondContact NH2-OE1 2.95Å; R344-E348 PolarHBondContact O-N 2.88Å
345	E	73.7	Confident	73.3	Confident	89 Å²	89	110.6 Å²	110.6	42%	0.416	53%	0.525	S	S	.	.	H	α-helix	trans	-55.7	-42.3	173.1	-73.5	175.2	-155.7	0	0	111.6	D341 K342 A347 E348 I349	D341-E345 PolarHBondContact O-N 3.37Å; K342-E345 WeakPolarHBondContact CD-OE2 3.36Å; K342-E345 IonicContact NZ-OE1 2.59Å; K342-E345 PolarHBondContact NZ-OE1 2.85Å; K342-E345 IonicContact NZ-OE2 3.02Å; K342-E345 PolarHBondContact NZ-OE2 2.68Å; E345-A347 VanDerWaalsContact C-N 3.26Å; E345-A347 PolarHBondContact O-N 2.82Å; E345-E348 PolarHBondContact O-N 2.81Å; E345-I349 WeakPolarHBondContact O-CG1 3.5Å; E345-I349 PolarHBondContact O-N 3.43Å
346	M	70.7	Confident	73.3	Confident	95 Å²	95	113.2 Å²	113.2	47%	0.468	53%	0.529	S	S	.	.	H	α-helix	trans	-68.3	-20	176.5	-74.3	-69.8	-65.9	0	0	113.9	K342 R344 R350	K342-M346 VanDerWaalsContact O-CB 3.3Å; K342-M346 WeakPolarHBondContact O-CB 3.05Å; K342-M346 WeakPolarHBondContact O-CG 3.44Å; K342-M346 PolarHBondContact O-N 3.01Å; R344-M346 VanDerWaalsContact C-N 3.25Å; R344-M346 PolarHBondContact O-N 3.07Å; M346-R350 VanDerWaalsContact O-CD 3.26Å; M346-R350 WeakPolarHBondContact O-CD 3.45Å; M346-R350 WeakPolarHBondContact O-CG 3.36Å
347	A	75.9	Confident	73.2	Confident	47 Å²	47	109 Å²	109	39%	0.388	52%	0.519	S	S	.	.	H	α-helix	trans	-79.7	-47	171.1	0	0	0	0	0	110.9	E343 R344 E345 I349 R350 D351	E343-A347 PolarHBondContact O-N 2.91Å; E343-A347 VanDerWaalsContact O-N 3.07Å; R344-A347 WeakPolarHBondContact O-CB 3.39Å; R344-A347 PolarHBondContact O-N 3.38Å; E345-A347 VanDerWaalsContact C-N 3.26Å; E345-A347 PolarHBondContact O-N 2.82Å; A347-I349 VanDerWaalsContact C-N 3.31Å; A347-I349 PolarHBondContact O-N 3.28Å; A347-R350 WeakPolarHBondContact O-CB 3.38Å; A347-R350 PolarHBondContact O-N 3.32Å; A347-D351 PolarHBondContact O-N 3.01Å
348	E	74.4	Confident	73.2	Confident	87 Å²	87	105.8 Å²	105.8	41%	0.407	51%	0.513	S	S	.	.	H	α-helix	trans	-60.6	-38.4	178.9	-68.2	176.8	-165.8	0	0	112.2	R344 E345 Q352	R344-E348 IonicContact CZ-OE1 2.66Å; R344-E348 IonicContact NE-OE1 3.16Å; R344-E348 PolarHBondContact NE-OE1 3.49Å; R344-E348 IonicContact NH2-OE1 2.66Å; R344-E348 PolarHBondContact NH2-OE1 2.95Å; R344-E348 PolarHBondContact O-N 2.88Å; E345-E348 PolarHBondContact O-N 2.81Å; E348-Q352 WeakPolarHBondContact O-CG 3.31Å; E348-Q352 PolarHBondContact O-N 2.95Å
349	I	74.9	Confident	73.4	Confident	98 Å²	98	104.9 Å²	104.9	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-68.5	-34.1	174.5	-67.7	168.5	0	0	0	112.1	E345 A347 M353	E345-I349 WeakPolarHBondContact O-CG1 3.5Å; E345-I349 PolarHBondContact O-N 3.43Å; A347-I349 VanDerWaalsContact C-N 3.31Å; A347-I349 PolarHBondContact O-N 3.28Å; I349-M353 WeakPolarHBondContact O-CB 3.38Å; I349-M353 PolarHBondContact O-N 3.29Å
350	R	75.2	Confident	73.1	Confident	146 Å²	146	107.4 Å²	107.4	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-68.7	-43.7	177.5	-78.7	169.7	-173	146.7	1.3	111.7	M346 A347 Q352 M353 Q354	M346-R350 VanDerWaalsContact O-CD 3.26Å; M346-R350 WeakPolarHBondContact O-CD 3.45Å; M346-R350 WeakPolarHBondContact O-CG 3.36Å; A347-R350 WeakPolarHBondContact O-CB 3.38Å; A347-R350 PolarHBondContact O-N 3.32Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; R350-Q352 PolarHBondContact O-N 2.97Å; R350-M353 PolarHBondContact O-N 3.13Å; R350-Q354 WeakPolarHBondContact O-CB 3.49Å; R350-Q354 PolarHBondContact O-N 2.84Å
351	D	76.2	Confident	72.8	Confident	118 Å²	118	109.4 Å²	109.4	63%	0.631	52%	0.518	S	S	*	.	H	α-helix	trans	-63.7	-40.1	177.1	-84.7	3.8	0	0	0	111.6	A347 Q354 Q355	A347-D351 PolarHBondContact O-N 3.01Å; D351-Q354 PolarHBondContact O-N 3.45Å; D351-Q355 PolarHBondContact O-N 3.4Å
352	Q	73.3	Confident	72.4	Confident	121 Å²	121	110.8 Å²	110.8	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-62.4	-42.3	173.9	-71.2	173.3	21.4	0	0	112.3	E348 R350 Q354 Q355 Q356	E348-Q352 WeakPolarHBondContact O-CG 3.31Å; E348-Q352 PolarHBondContact O-N 2.95Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; R350-Q352 PolarHBondContact O-N 2.97Å; Q352-Q354 VanDerWaalsContact C-N 3.35Å; Q352-Q355 PolarHBondContact O-N 3.47Å; Q352-Q356 PolarHBondContact O-N 3.03Å
353	M	69.2	Low	72.3	Confident	112 Å²	112	111.1 Å²	111.1	55%	0.552	53%	0.528	S	S	*	.	H	α-helix	trans	-68.1	-33.9	175.7	-172.1	171.8	64.2	0	0	112.2	I349 R350 Q356 L357	I349-M353 WeakPolarHBondContact O-CB 3.38Å; I349-M353 PolarHBondContact O-N 3.29Å; R350-M353 PolarHBondContact O-N 3.13Å; M353-Q356 PolarHBondContact O-N 3.18Å; M353-L357 WeakPolarHBondContact O-CG 3.43Å; M353-L357 PolarHBondContact O-N 2.98Å
354	Q	72.5	Confident	72.1	Confident	108 Å²	108	109.8 Å²	109.8	51%	0.505	52%	0.524	S	S	.	.	H	α-helix	trans	-71.4	-36.6	175.9	-164.7	65.5	51.8	0	0	111.9	R350 D351 Q352 L357 N358	R350-Q354 WeakPolarHBondContact O-CB 3.49Å; R350-Q354 PolarHBondContact O-N 2.84Å; D351-Q354 PolarHBondContact O-N 3.45Å; Q352-Q354 VanDerWaalsContact C-N 3.35Å; Q354-L357 PolarHBondContact O-N 2.88Å; Q354-N358 PolarHBondContact O-N 3.09Å; Q354-N358 PolarHBondContact O-OD1 3.13Å
355	Q	71.3	Confident	71.9	Confident	133 Å²	133	106.7 Å²	106.7	62%	0.621	52%	0.52	S	S	*	.	H	α-helix	trans	-62.7	-47.1	169.8	-79.7	-173.9	-42.8	0	0	111.5	D351 Q352 L357 N358 D359	D351-Q355 PolarHBondContact O-N 3.4Å; Q352-Q355 PolarHBondContact O-N 3.47Å; Q355-L357 VanDerWaalsContact C-N 3.29Å; Q355-L357 PolarHBondContact O-N 2.95Å; Q355-N358 PolarHBondContact O-N 2.92Å; Q355-N358 VanDerWaalsContact O-N 3.14Å; Q355-D359 PolarHBondContact O-N 3.5Å
356	Q	71.8	Confident	71.6	Confident	121 Å²	121	106.7 Å²	106.7	57%	0.565	53%	0.526	S	S	*	.	H	α-helix	trans	-60.2	-38.1	175.3	-73.6	-169	-20.5	0	0	112.4	Q352 M353 D359 Y360	Q352-Q356 PolarHBondContact O-N 3.03Å; M353-Q356 PolarHBondContact O-N 3.18Å; Q356-D359 PolarHBondContact O-N 3.11Å; Q356-Y360 HydrophobicContact CB-CE2 4.47Å; Q356-Y360 WeakPolarHBondContact O-CB 3.38Å; Q356-Y360 WeakPolarHBondContact O-CD2 3.44Å; Q356-Y360 PolarHBondContact O-N 3.28Å
357	L	73.2	Confident	71.6	Confident	90 Å²	90	106.8 Å²	106.8	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-61.9	-44.6	173	-81.8	165.8	0	0	0	112.5	M353 Q354 Q355 D359 Y360 E361	M353-L357 WeakPolarHBondContact O-CG 3.43Å; M353-L357 PolarHBondContact O-N 2.98Å; Q354-L357 PolarHBondContact O-N 2.88Å; Q355-L357 VanDerWaalsContact C-N 3.29Å; Q355-L357 PolarHBondContact O-N 2.95Å; L357-D359 VanDerWaalsContact C-N 3.35Å; L357-D359 PolarHBondContact O-N 3.36Å; L357-Y360 CarbonylContact O-C 3.58Å; L357-Y360 PolarHBondContact O-N 3.5Å; L357-E361 WeakPolarHBondContact O-CB 3.44Å; L357-E361 PolarHBondContact O-N 2.82Å
358	N	73.6	Confident	71	Confident	76 Å²	76	108.3 Å²	108.3	41%	0.406	53%	0.525	S	S	.	.	H	α-helix	trans	-66.7	-33.7	177.2	-74.3	18.2	0	0	0	112.9	Q354 Q355 E361 Q362	Q354-N358 PolarHBondContact O-N 3.09Å; Q354-N358 PolarHBondContact O-OD1 3.13Å; Q355-N358 PolarHBondContact O-N 2.92Å; Q355-N358 VanDerWaalsContact O-N 3.14Å; N358-E361 PolarHBondContact O-N 2.87Å; N358-Q362 WeakPolarHBondContact O-CG 3.44Å; N358-Q362 PolarHBondContact O-N 2.85Å; N358-Q362 PolarHBondContact O-NE2 3.01Å
359	D	72.9	Confident	70.5	Confident	101 Å²	101	106.9 Å²	106.9	54%	0.54	53%	0.528	S	S	.	.	H	α-helix	trans	-71.9	-37.4	174.7	-71.6	-15.3	0	0	0	111	Q355 Q356 L357 L363	Q355-D359 PolarHBondContact O-N 3.5Å; Q356-D359 PolarHBondContact O-N 3.11Å; L357-D359 VanDerWaalsContact C-N 3.35Å; L357-D359 PolarHBondContact O-N 3.36Å; D359-L363 VanDerWaalsContact O-CB 3.29Å; D359-L363 WeakPolarHBondContact O-CB 3.23Å; D359-L363 PolarHBondContact O-N 2.99Å
360	Y	66.2	Low	69.9	Low	156 Å²	156	106.5 Å²	106.5	61%	0.612	53%	0.526	S	S	*	.	H	α-helix	trans	-68.6	-31.5	170.3	-77.7	-55.2	0	0	0	113	Q356 L357 L363 L364	Q356-Y360 HydrophobicContact CB-CE2 4.47Å; Q356-Y360 WeakPolarHBondContact O-CB 3.38Å; Q356-Y360 WeakPolarHBondContact O-CD2 3.44Å; Q356-Y360 PolarHBondContact O-N 3.28Å; L357-Y360 CarbonylContact O-C 3.58Å; L357-Y360 PolarHBondContact O-N 3.5Å; Y360-L363 HydrophobicContact CD1-CD2 4.49Å; Y360-L364 WeakPolarHBondContact O-CB 3.42Å; Y360-L364 PolarHBondContact O-N 3.03Å
361	E	68.3	Low	69.1	Low	120 Å²	120	101.9 Å²	101.9	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-71.2	-43.9	175.8	-168.8	165.5	-134.2	0	0	111	L357 N358 L363 L364 D365	L357-E361 WeakPolarHBondContact O-CB 3.44Å; L357-E361 PolarHBondContact O-N 2.82Å; N358-E361 PolarHBondContact O-N 2.87Å; E361-L363 VanDerWaalsContact C-N 3.34Å; E361-L363 PolarHBondContact O-N 3.19Å; E361-L364 CarbonylContact O-C 3.6Å; E361-L364 WeakPolarHBondContact O-CB 3.44Å; E361-L364 PolarHBondContact O-N 3.28Å; E361-L364 VanDerWaalsContact O-N 3.16Å; E361-D365 PolarHBondContact O-N 3.04Å
362	Q	64.4	Low	68.4	Low	121 Å²	121	102.7 Å²	102.7	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-62	-39.9	170.7	-74.4	167.7	86.9	0	0	112.4	N358 L364 D365 V366	N358-Q362 WeakPolarHBondContact O-CG 3.44Å; N358-Q362 PolarHBondContact O-N 2.85Å; N358-Q362 PolarHBondContact O-NE2 3.01Å; Q362-L364 VanDerWaalsContact C-N 3.32Å; Q362-D365 PolarHBondContact O-N 3.47Å; Q362-V366 WeakPolarHBondContact O-CG2 3.27Å; Q362-V366 PolarHBondContact O-N 3.47Å
363	L	71	Confident	67.8	Low	108 Å²	108	102.8 Å²	102.8	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-68.2	-33.5	174.8	-171	63.8	0	0	0	111.7	D359 Y360 E361 K367	D359-L363 VanDerWaalsContact O-CB 3.29Å; D359-L363 WeakPolarHBondContact O-CB 3.23Å; D359-L363 PolarHBondContact O-N 2.99Å; Y360-L363 HydrophobicContact CD1-CD2 4.49Å; E361-L363 VanDerWaalsContact C-N 3.34Å; E361-L363 PolarHBondContact O-N 3.19Å; L363-K367 WeakPolarHBondContact O-CB 2.8Å; L363-K367 PolarHBondContact O-N 3.06Å
364	L	70.9	Confident	66.9	Low	91 Å²	91	101.1 Å²	101.1	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-68.7	-37.5	173.3	179.8	61.8	0	0	0	111.6	Y360 E361 Q362 K367 L368	Y360-L364 WeakPolarHBondContact O-CB 3.42Å; Y360-L364 PolarHBondContact O-N 3.03Å; E361-L364 CarbonylContact O-C 3.6Å; E361-L364 WeakPolarHBondContact O-CB 3.44Å; E361-L364 PolarHBondContact O-N 3.28Å; E361-L364 VanDerWaalsContact O-N 3.16Å; Q362-L364 VanDerWaalsContact C-N 3.32Å; L364-K367 HydrophobicContact CD1-CD 4.46Å; L364-K367 CarbonylContact O-C 3.6Å; L364-K367 PolarHBondContact O-N 2.89Å; L364-L368 HydrophobicContact CD1-CD1 4.5Å; L364-L368 HydrophobicContact CD1-CG 4.45Å; L364-L368 HydrophobicContact CG-CD1 4.1Å; L364-L368 WeakPolarHBondContact O-CB 3.25Å; L364-L368 VanDerWaalsContact O-CG 3.31Å; L364-L368 WeakPolarHBondContact O-CG 3.48Å; L364-L368 PolarHBondContact O-N 3.26Å
365	D	69.3	Low	65.9	Low	102 Å²	102	98.6 Å²	98.6	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-71.1	-42.2	176.5	-88.9	-6.4	0	0	0	112.3	E361 Q362 K367 L368 A369	E361-D365 PolarHBondContact O-N 3.04Å; Q362-D365 PolarHBondContact O-N 3.47Å; D365-K367 VanDerWaalsContact C-N 3.26Å; D365-K367 PolarHBondContact O-N 2.93Å; D365-L368 PolarHBondContact O-N 2.76Å; D365-L368 VanDerWaalsContact O-N 3.11Å; D365-A369 PolarHBondContact O-N 2.85Å
366	V	69.1	Low	65	Low	89 Å²	89	95.9 Å²	95.9	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-60.8	-39.8	169.4	171.9	0	0	0	0	110.4	Q362 A369 L370	Q362-V366 WeakPolarHBondContact O-CG2 3.27Å; Q362-V366 PolarHBondContact O-N 3.47Å; V366-A369 PolarHBondContact O-N 3.02Å; V366-L370 HydrophobicContact CG1-CD1 4.41Å; V366-L370 WeakPolarHBondContact O-CG 3.27Å; V366-L370 PolarHBondContact O-N 2.84Å; V366-L370 VanDerWaalsContact O-N 3.15Å
367	K	69.3	Low	63.6	Low	98 Å²	98	98.8 Å²	98.8	43%	0.426	51%	0.509	S	S	.	.	H	α-helix	trans	-69.1	-30.3	174	-172.2	-92.2	179	-177	0	112.3	L363 L364 D365 L370 D371	L363-K367 WeakPolarHBondContact O-CB 2.8Å; L363-K367 PolarHBondContact O-N 3.06Å; L364-K367 HydrophobicContact CD1-CD 4.46Å; L364-K367 CarbonylContact O-C 3.6Å; L364-K367 PolarHBondContact O-N 2.89Å; D365-K367 VanDerWaalsContact C-N 3.26Å; D365-K367 PolarHBondContact O-N 2.93Å; K367-L370 PolarHBondContact O-N 2.89Å; K367-D371 WeakPolarHBondContact CE-OD1 3.47Å; K367-D371 IonicContact NZ-OD1 2.75Å; K367-D371 PolarHBondContact NZ-OD1 3.33Å; K367-D371 VanDerWaalsContact NZ-OD1 3.12Å; K367-D371 IonicContact NZ-OD2 2.71Å; K367-D371 PolarHBondContact NZ-OD2 3.37Å; K367-D371 VanDerWaalsContact O-CB 3.24Å; K367-D371 WeakPolarHBondContact O-CB 3.44Å; K367-D371 PolarHBondContact O-N 3.19Å
368	L	64.7	Low	62.1	Low	78 Å²	78	102.4 Å²	102.4	41%	0.408	52%	0.516	S	S	.	.	H	α-helix	trans	-74.3	-34.3	176	-84.8	165.8	0	0	0	111.9	L364 D365 D371 M372	L364-L368 HydrophobicContact CD1-CD1 4.5Å; L364-L368 HydrophobicContact CD1-CG 4.45Å; L364-L368 HydrophobicContact CG-CD1 4.1Å; L364-L368 WeakPolarHBondContact O-CB 3.25Å; L364-L368 VanDerWaalsContact O-CG 3.31Å; L364-L368 WeakPolarHBondContact O-CG 3.48Å; L364-L368 PolarHBondContact O-N 3.26Å; D365-L368 PolarHBondContact O-N 2.76Å; D365-L368 VanDerWaalsContact O-N 3.11Å; L368-D371 PolarHBondContact O-N 3.36Å; L368-M372 WeakPolarHBondContact O-CB 3.39Å; L368-M372 WeakPolarHBondContact O-CG 3.37Å; L368-M372 PolarHBondContact O-N 3.05Å
369	A	64.3	Low	60.9	Low	57 Å²	57	108.3 Å²	108.3	47%	0.471	54%	0.538	S	S	.	.	H	α-helix	trans	-60.9	-50.1	168.2	0	0	0	0	0	110.8	D365 V366 D371 M372 E373	D365-A369 PolarHBondContact O-N 2.85Å; V366-A369 PolarHBondContact O-N 3.02Å; A369-D371 PolarHBondContact O-N 3.01Å; A369-M372 PolarHBondContact O-N 2.75Å; A369-E373 PolarHBondContact O-N 2.67Å
370	L	61.6	Low	59.8	Low	90 Å²	90	110.6 Å²	110.6	47%	0.471	55%	0.55	S	S	.	.	H	α-helix	trans	-64.1	-36.5	175	-69.8	167.3	0	0	0	112.7	V366 K367 M372 E373 I374	V366-L370 HydrophobicContact CG1-CD1 4.41Å; V366-L370 WeakPolarHBondContact O-CG 3.27Å; V366-L370 PolarHBondContact O-N 2.84Å; V366-L370 VanDerWaalsContact O-N 3.15Å; K367-L370 PolarHBondContact O-N 2.89Å; L370-M372 VanDerWaalsContact C-N 3.34Å; L370-E373 PolarHBondContact O-N 2.84Å; L370-I374 WeakPolarHBondContact O-CB 3.49Å; L370-I374 WeakPolarHBondContact O-CD1 3.17Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 3.08Å
371	D	59.2	Low	58.3	Low	49 Å²	49	109.8 Å²	109.8	26%	0.262	56%	0.555	S	S	.	*	H	α-helix	trans	-69.9	-29.8	174.3	-105	31.7	0	0	0	111.8	K367 L368 A369 I374 S375	K367-D371 WeakPolarHBondContact CE-OD1 3.47Å; K367-D371 IonicContact NZ-OD1 2.75Å; K367-D371 PolarHBondContact NZ-OD1 3.33Å; K367-D371 VanDerWaalsContact NZ-OD1 3.12Å; K367-D371 IonicContact NZ-OD2 2.71Å; K367-D371 PolarHBondContact NZ-OD2 3.37Å; K367-D371 VanDerWaalsContact O-CB 3.24Å; K367-D371 WeakPolarHBondContact O-CB 3.44Å; K367-D371 PolarHBondContact O-N 3.19Å; L368-D371 PolarHBondContact O-N 3.36Å; A369-D371 PolarHBondContact O-N 3.01Å; D371-I374 CarbonylContact O-C 3.48Å; D371-I374 PolarHBondContact O-N 3.41Å; D371-S375 WeakPolarHBondContact O-CA 3.38Å; D371-S375 WeakPolarHBondContact O-CB 3.49Å; D371-S375 PolarHBondContact O-N 2.95Å
372	M	59.8	Low	57.1	Low	136 Å²	136	112 Å²	112	67%	0.67	57%	0.565	S	S	*	*	H	α-helix	trans	-69.9	-42.5	173	-81.7	-179.7	58.9	0	0	110.6	L368 A369 L370 S375 A376	L368-M372 WeakPolarHBondContact O-CB 3.39Å; L368-M372 WeakPolarHBondContact O-CG 3.37Å; L368-M372 PolarHBondContact O-N 3.05Å; A369-M372 PolarHBondContact O-N 2.75Å; L370-M372 VanDerWaalsContact C-N 3.34Å; M372-S375 WeakPolarHBondContact CA-OG 3.47Å; M372-S375 PolarHBondContact O-N 2.66Å; M372-S375 PolarHBondContact O-OG 3.43Å; M372-A376 PolarHBondContact O-N 2.9Å; M372-A376 VanDerWaalsContact O-N 3.09Å
373	E	60.8	Low	56.7	Low	123 Å²	123	109.6 Å²	109.6	58%	0.575	57%	0.574	S	S	*	*	H	α-helix	trans	-60.4	-46.1	169.8	-66.7	-179.1	160.9	0	0	111.3	A369 L370 S375 A376 Y377	A369-E373 PolarHBondContact O-N 2.67Å; L370-E373 PolarHBondContact O-N 2.84Å; E373-S375 VanDerWaalsContact C-N 3.28Å; E373-S375 PolarHBondContact O-N 3.3Å; E373-A376 WeakPolarHBondContact O-CB 3.26Å; E373-A376 PolarHBondContact O-N 2.78Å; E373-Y377 WeakPolarHBondContact O-CD2 3.47Å; E373-Y377 PolarHBondContact O-N 2.96Å
374	I	51.4	Low	55	Low	76 Å²	76	113.3 Å²	113.3	39%	0.39	59%	0.588	S	S	.	*	H	α-helix	trans	-66.7	-26.5	174.5	-67.4	164.4	0	0	0	111.9	L370 D371 Y377 R378	L370-I374 WeakPolarHBondContact O-CB 3.49Å; L370-I374 WeakPolarHBondContact O-CD1 3.17Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 3.08Å; D371-I374 CarbonylContact O-C 3.48Å; D371-I374 PolarHBondContact O-N 3.41Å; I374-Y377 CarbonylContact O-C 3.46Å; I374-Y377 WeakPolarHBondContact O-CA 3.49Å; I374-Y377 PolarHBondContact O-N 3.21Å; I374-Y377 VanDerWaalsContact O-N 3.16Å; I374-R378 HydrophobicContact CG2-CG 4.34Å; I374-R378 WeakPolarHBondContact O-CB 3.37Å; I374-R378 PolarHBondContact O-N 3.08Å
375	S	49.9	Very low	53.7	Low	56 Å²	56	118.5 Å²	118.5	39%	0.392	61%	0.61	S	S	.	*	H	α-helix	trans	-72.7	-31.8	175.6	81.5	0	0	0	0	112.1	D371 M372 E373 Y377 R378 K379	D371-S375 WeakPolarHBondContact O-CA 3.38Å; D371-S375 WeakPolarHBondContact O-CB 3.49Å; D371-S375 PolarHBondContact O-N 2.95Å; M372-S375 WeakPolarHBondContact CA-OG 3.47Å; M372-S375 PolarHBondContact O-N 2.66Å; M372-S375 PolarHBondContact O-OG 3.43Å; E373-S375 VanDerWaalsContact C-N 3.28Å; E373-S375 PolarHBondContact O-N 3.3Å; S375-Y377 PolarHBondContact O-N 2.95Å; S375-R378 PolarHBondContact O-N 2.89Å; S375-K379 PolarHBondContact O-N 3.32Å
376	A	53.3	Low	52.9	Low	76 Å²	76	120.6 Å²	120.6	63%	0.628	62%	0.617	S	S	*	*	H	α-helix	trans	-64.7	-29.7	169	0	0	0	0	0	111.4	M372 E373	M372-A376 PolarHBondContact O-N 2.9Å; M372-A376 VanDerWaalsContact O-N 3.09Å; E373-A376 WeakPolarHBondContact O-CB 3.26Å; E373-A376 PolarHBondContact O-N 2.78Å
377	Y	41.6	Very low	51.9	Low	181 Å²	181	126 Å²	126	71%	0.71	63%	0.627	S	S	*	*	H	α-helix	trans	-81.9	-31.4	170.3	-66	-65	0	0	0	114	E373 I374 S375	E373-Y377 WeakPolarHBondContact O-CD2 3.47Å; E373-Y377 PolarHBondContact O-N 2.96Å; I374-Y377 CarbonylContact O-C 3.46Å; I374-Y377 WeakPolarHBondContact O-CA 3.49Å; I374-Y377 PolarHBondContact O-N 3.21Å; I374-Y377 VanDerWaalsContact O-N 3.16Å; S375-Y377 PolarHBondContact O-N 2.95Å
378	R	42.4	Very low	51	Low	166 Å²	166	129.5 Å²	129.5	63%	0.626	65%	0.65	S	S	*	*	H	α-helix	trans	-82.8	-31.9	-177.9	-88.9	-177.1	163.1	157.2	-4.4	115	I374 S375 L380 L381	I374-R378 HydrophobicContact CG2-CG 4.34Å; I374-R378 WeakPolarHBondContact O-CB 3.37Å; I374-R378 PolarHBondContact O-N 3.08Å; S375-R378 PolarHBondContact O-N 2.89Å; R378-L380 PolarHBondContact O-N 3.15Å; R378-L381 PolarHBondContact O-N 3.09Å
379	K	47.9	Very low	50.5	Low	200 Å²	200	136.4 Å²	136.4	87%	0.87	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	1.3	173.7	-97.5	-176.3	174.9	176.5	0	114.2	S375	S375-K379 PolarHBondContact O-N 3.32Å
380	L	50.6	Low	49.6	Very low	150 Å²	150	142.5 Å²	142.5	79%	0.785	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-7.7	171.1	-167.9	58.3	0	0	0	113.4	R378	R378-L380 PolarHBondContact O-N 3.15Å
381	L	34.9	Very low	48.7	Very low	139 Å²	139	144.4 Å²	144.4	73%	0.728	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.8	-48	-162.6	-115.5	159.6	0	0	0	117.5	R378	R378-L381 PolarHBondContact O-N 3.09Å
382	E	42.9	Very low	48.2	Very low	165 Å²	165	148.6 Å²	148.6	77%	0.771	75%	0.751	S	S	*	*			trans	-138.8	145.1	-166.9	-70.7	161.6	-160.5	0	0	112.4
383	G	55.4	Low	47.1	Very low	72 Å²	72	148.2 Å²	148.2	74%	0.742	76%	0.761	S	S	*	*			cis	171	-118	8.5	0	0	0	0	0	113.8
384	E	36.7	Very low	46.5	Very low	185 Å²	185	148.9 Å²	148.9	86%	0.864	78%	0.777	S	S	*	*			trans	-147.2	0	-164.6	-48.3	-174.5	97.4	0	0	114.6
385	E	43.7	Very low	45.9	Very low	201 Å²	201	151.7 Å²	151.7	94%	0.939	80%	0.803	S	S	*	*				0	0	0	-52.6	165.6	167.4	0	0	128.3
386	E	50.4	Low	45.5	Very low	146 Å²	146	155.1 Å²	155.1	68%	0.682	83%	0.827	S	S	*	*				0	0	0	69.7	77.1	41.2	0	0	135
387	R	48.3	Very low	45	Very low	203 Å²	203	163.5 Å²	163.5	77%	0.766	84%	0.842	S	S	*	*				0	0	0	-113.1	88	66.7	-151.4	-13.2	137.1
388	L	50.9	Low	45.1	Very low	170 Å²	170	161.2 Å²	161.2	89%	0.89	85%	0.847	S	S	*	*				0	0	0	-51.1	-174.6	0	0	0	142.5
389	K	53.3	Low	45.3	Very low	223 Å²	223	160.1 Å²	160.1	97%	0.97	86%	0.859	S	S	*	*				0	0	0	-51.9	-161.1	-179.6	-176.9	0	134.3
390	L	46.8	Very low	45.1	Very low	186 Å²	186	157.3 Å²	157.3	97%	0.974	86%	0.858	S	S	*	*				0	0	0	-106.7	171.3	0	0	0	135.3
391	S	42.2	Very low	44.9	Very low	129 Å²	129	156.5 Å²	156.5	90%	0.902	87%	0.865	S	S	*	*				0	0	0	-72.2	0	0	0	0	135.9
392	P	47.8	Very low	45.4	Very low	137 Å²	137	162 Å²	162	89%	0.89	88%	0.876	S	S	*	*				0	0	0	46.1	-25.3	0	0	0	136.9
393	S	37.2	Very low	45.5	Very low	128 Å²	128	158.6 Å²	158.6	90%	0.895	88%	0.876	S	S	*	*				0	0	0	-78.7	0	0	0	0	135.9
394	P	49.3	Very low	45.1	Very low	138 Å²	138	161.9 Å²	161.9	90%	0.896	89%	0.887	S	S	*	*				0	0	0	44.6	-20	0	0	0	136.9
395	S	38.6	Very low	45.6	Very low	134 Å²	134	159.3 Å²	159.3	94%	0.937	89%	0.89	S	S	*	*				0	0	0	-169.4	0	0	0	0	131.5
396	S	41.8	Very low	46	Very low	128 Å²	128	156 Å²	156	90%	0.895	89%	0.889	S	S	*	*				0	0	0	65.4	0	0	0	0	127.2
397	R	41.8	Very low	46.1	Very low	252 Å²	252	160.1 Å²	160.1	95%	0.951	90%	0.899	S	S	*	*				0	0	0	-160.8	175.8	-175.1	180	2.1	127.2
398	V	44.2	Very low	46.1	Very low	134 Å²	134	155 Å²	155	81%	0.812	89%	0.894	S	S	*	*				0	0	0	173.8	0	0	0	0	126.5
399	T	45.5	Very low	46.1	Very low	143 Å²	143	153.7 Å²	153.7	88%	0.877	89%	0.892	S	S	*	*				0	0	0	17.2	0	0	0	0	128.3
400	V	45.7	Very low	46	Very low	141 Å²	141	153.9 Å²	153.9	86%	0.855	89%	0.887	S	S	*	*				0	0	0	162.6	0	0	0	0	127
401	S	45.2	Very low	46.3	Very low	132 Å²	132	150.2 Å²	150.2	92%	0.923	87%	0.873	S	S	*	*				0	0	0	-90.8	0	0	0	0	128
402	R	45.8	Very low	46.7	Very low	255 Å²	255	151.6 Å²	151.6	96%	0.962	88%	0.876	S	S	*	*				0	0	0	-153.7	-172.6	178.3	-161.2	-0.5	127
403	A	45.8	Very low	46.7	Very low	94 Å²	94	158 Å²	158	78%	0.777	88%	0.882	S	S	*	*				0	0	0	0	0	0	0	0	127.4
404	S	46.8	Very low	47.1	Very low	140 Å²	140	156 Å²	156	98%	0.979	88%	0.882	S	S	*	*				0	0	0	-59.4	0	0	0	0	127
405	S	47.1	Very low	46.9	Very low	132 Å²	132	159.8 Å²	159.8	92%	0.923	88%	0.884	S	S	*	*				0	0	0	-165.6	0	0	0	0	126.9
406	S	52.5	Low	46.9	Very low	131 Å²	131	164.4 Å²	164.4	92%	0.916	88%	0.881	S	S	*	*				0	0	0	71.6	0	0	0	0	127
407	R	50.9	Low	46.6	Very low	233 Å²	233	167.8 Å²	167.8	88%	0.879	88%	0.879	S	S	*	*				0	0	0	-156	-162.4	151.4	89.5	9.6	126.7
408	S	48.2	Very low	46.3	Very low	96 Å²	96	164.8 Å²	164.8	67%	0.671	87%	0.868	S	S	*	*				0	0	0	-147.6	0	0	0	0	127.3
409	V	52.1	Low	45.9	Very low	141 Å²	141	164.8 Å²	164.8	86%	0.855	87%	0.868	S	S	*	*				0	0	0	172.2	0	0	0	0	126.3
410	R	51	Low	45.2	Very low	227 Å²	227	163.2 Å²	163.2	86%	0.857	86%	0.855	S	S	*	*				0	0	0	-146.9	-174.3	177.4	-119.3	14.3	126.7
411	T	52.1	Low	44.6	Very low	110 Å²	110	163.3 Å²	163.3	68%	0.675	86%	0.855	S	S	*	*				0	0	0	-11.1	0	0	0	0	131
412	T	52	Low	43.9	Very low	157 Å²	157	165.6 Å²	165.6	96%	0.963	85%	0.851	S	S	*	*				0	0	0	63.1	0	0	0	0	134.8
413	R	47.4	Very low	43	Very low	272 Å²	272	162.6 Å²	162.6	100%	1.026	85%	0.848	S	S	*	*				0	0	0	-131.5	-169.1	179	-146.5	-1.1	134.7
414	G	44.9	Very low	42.3	Very low	86 Å²	86	163.8 Å²	163.8	89%	0.887	85%	0.851	S	S	*	*				0	0	0	0	0	0	0	0	135.9
415	K	44.8	Very low	41.7	Very low	217 Å²	217	167 Å²	167	94%	0.943	85%	0.85	S	S	*	*				0	0	0	-163.6	-109.1	-178.7	-163.9	0	134.1
416	R	39.1	Very low	41.1	Very low	232 Å²	232	165.3 Å²	165.3	88%	0.875	84%	0.844	S	S	*	*				0	0	0	-142.3	-179.5	-177.6	-165.5	-0.3	130.6
417	K	36.7	Very low	40.1	Very low	198 Å²	198	165.4 Å²	165.4	86%	0.861	85%	0.845	S	S	*	*				0	0	0	-170.2	-109.5	176.3	-168.6	0	128
418	R	35.3	Very low	39.3	Very low	190 Å²	190	160.4 Å²	160.4	72%	0.717	85%	0.846	S	S	*	*				0	0	0	176.1	164.6	179.3	155.2	10.8	129.9	D420	R418-D420 IonicContact CZ-OD1 3.25Å; R418-D420 IonicContact CZ-OD2 3.7Å; R418-D420 IonicContact NE-OD2 2.72Å; R418-D420 PolarHBondContact NE-OD2 3.44Å; R418-D420 VanDerWaalsContact NE-OD2 3.1Å; R418-D420 IonicContact NH2-OD1 2.62Å; R418-D420 PolarHBondContact NH2-OD1 2.99Å; R418-D420 IonicContact NH2-OD2 2.62Å; R418-D420 PolarHBondContact NH2-OD2 2.87Å
419	V	34.8	Very low	38.6	Very low	134 Å²	134	161.2 Å²	161.2	81%	0.812	85%	0.851	S	S	*	*				0	0	0	-148	0	0	0	0	127.7
420	D	32.2	Very low	38.2	Very low	110 Å²	110	160.1 Å²	160.1	59%	0.588	85%	0.845	S	S	*	*				0	0	0	-54.1	-94.1	0	0	0	125.3	R418	R418-D420 IonicContact CZ-OD1 3.25Å; R418-D420 IonicContact CZ-OD2 3.7Å; R418-D420 IonicContact NE-OD2 2.72Å; R418-D420 PolarHBondContact NE-OD2 3.44Å; R418-D420 VanDerWaalsContact NE-OD2 3.1Å; R418-D420 IonicContact NH2-OD1 2.62Å; R418-D420 PolarHBondContact NH2-OD1 2.99Å; R418-D420 IonicContact NH2-OD2 2.62Å; R418-D420 PolarHBondContact NH2-OD2 2.87Å
421	V	31.4	Very low	38.1	Very low	143 Å²	143	153 Å²	153	87%	0.867	83%	0.83	S	S	*	*				0	0	0	173.2	0	0	0	0	131.6
422	E	31.3	Very low	38.8	Very low	179 Å²	179	152.8 Å²	152.8	84%	0.836	82%	0.823	S	S	*	*				0	0	0	-42	78.5	-165.9	0	0	132.9
423	E	27.8	Very low	39.5	Very low	192 Å²	192	148.2 Å²	148.2	90%	0.897	80%	0.798	S	S	*	*				0	0	0	-100.5	-71.3	26.9	0	0	132.9
424	S	30	Very low	40.9	Very low	119 Å²	119	140.6 Å²	140.6	83%	0.832	77%	0.774	S	S	*	*				0	0	0	-38.9	0	0	0	0	134.9
425	E	35.2	Very low	42.6	Very low	207 Å²	207	139.4 Å²	139.4	97%	0.967	75%	0.752	S	S	*	*				0	0	0	-86.4	-157.1	-172.2	0	0	131.4
426	A	32.6	Very low	44.4	Very low	97 Å²	97	132.5 Å²	132.5	80%	0.802	74%	0.735	S	S	*	*				0	172.3	0	0	0	0	0	0	125.4
427	S	31.5	Very low	46.5	Very low	134 Å²	134	124.5 Å²	124.5	94%	0.937	72%	0.715	S	S	*	*			trans	-176.2	173.8	165.3	-86.9	0	0	0	0	119.9
428	S	34.3	Very low	48.6	Very low	127 Å²	127	117.5 Å²	117.5	89%	0.888	69%	0.694	S	S	*	*			trans	-137	177.5	-170.2	68.2	0	0	0	0	119.1
429	S	35.2	Very low	50.7	Low	113 Å²	113	114.2 Å²	114.2	79%	0.79	70%	0.695	S	S	*	*			trans	-158.9	175.6	-177.8	69.5	0	0	0	0	117.7
430	V	42.1	Very low	52.9	Low	118 Å²	118	109.5 Å²	109.5	72%	0.715	67%	0.673	S	S	*	*			trans	-135.7	158.8	-175.4	171.2	0	0	0	0	112.1
431	S	50.2	Low	55.6	Low	79 Å²	79	107.5 Å²	107.5	55%	0.552	66%	0.662	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136.7	159.8	-177.3	70	0	0	0	0	116.2
432	I	66	Low	58.4	Low	104 Å²	104	100.7 Å²	100.7	53%	0.533	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128	146.1	-177.8	-59.5	174.9	0	0	0	109.4	F546	I432-F546 HydrophobicContact CD1-CD1 4.13Å; I432-F546 HydrophobicContact CD1-CE1 3.87Å; I432-F546 HydrophobicContact CG1-CD1 3.9Å; I432-F546 HydrophobicContact CG1-CE1 4.14Å; I432-F546 HydrophobicContact CG2-CD1 4.29Å; I432-F546 HydrophobicContact CG2-CE1 4.27Å
433	S	67.1	Low	61.3	Low	61 Å²	61	93.7 Å²	93.7	43%	0.427	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.8	144	179.1	71.4	0	0	0	0	114	V545	S433-V545 PolarHBondContact N-O 2.74Å; S433-V545 PolarHBondContact O-N 3.07Å; S433-V545 PolarHBondContact OG-O 3.27Å
434	H	77.1	Confident	64.4	Low	113 Å²	113	84.9 Å²	84.9	52%	0.523	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.1	137.6	175.1	-59.5	-63.2	0	0	0	109.9	T544	H434-T544 VanDerWaalsContact ND1-CG2 3.31Å; H434-T544 WeakPolarHBondContact ND1-CG2 3.37Å
435	S	79.6	Confident	67.2	Low	60 Å²	60	81.9 Å²	81.9	42%	0.42	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.7	172.6	53.4	0	0	0	0	110.4	R542 S543	S435-R542 CarbonylContact O-C 3.5Å; S435-R542 VanDerWaalsContact O-CA 3.32Å; S435-R542 WeakPolarHBondContact O-CA 3.33Å; S435-R542 WeakPolarHBondContact O-CG 3.34Å; S435-S543 PolarHBondContact N-O 2.72Å; S435-S543 PolarHBondContact O-N 3.19Å; S435-S543 PolarHBondContact OG-OG 3.23Å
436	A	82.6	Confident	69.8	Low	72 Å²	72	75.5 Å²	75.5	60%	0.595	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.3	-179.7	0	0	0	0	0	110.9	Q541 R542	A436-Q541 CarbonylContact C-O 3.57Å; A436-Q541 WeakPolarHBondContact CA-O 3.4Å; A436-R542 HydrophobicContact CB-CB 4.21Å; A436-R542 HydrophobicContact CB-CG 3.98Å
437	S	83.1	Confident	72.5	Confident	65 Å²	65	71.8 Å²	71.8	46%	0.455	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.6	174.1	58.6	0	0	0	0	110.5	A540 Q541	S437-A540 CarbonylContact O-C 3.59Å; S437-A540 WeakPolarHBondContact O-CA 3.44Å; S437-Q541 PolarHBondContact N-O 3.06Å; S437-Q541 PolarHBondContact O-N 3.05Å; S437-Q541 VanDerWaalsContact O-O 3.06Å
438	A	82.1	Confident	75.2	Confident	50 Å²	50	66.7 Å²	66.7	41%	0.413	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	134.2	172.5	0	0	0	0	0	109.2	C443 V539 A540	A438-C443 HydrophobicContact CB-CB 3.76Å; A438-V539 WeakPolarHBondContact CA-O 3.23Å; A438-A540 HydrophobicContact CB-CB 4.07Å
439	T	78.6	Confident	77.3	Confident	122 Å²	122	65.1 Å²	65.1	75%	0.748	41%	0.408	S	S	*	.	S	Bend	trans	-103.4	-11.1	-177.9	-35.2	0	0	0	0	111.4	V539	T439-V539 PolarHBondContact N-O 2.86Å
440	G	80.3	Confident	79.5	Confident	34 Å²	34	64.1 Å²	64.1	35%	0.351	39%	0.393	S	S	.	.	S	Bend	trans	-143.8	-168	-179.6	0	0	0	0	0	113.4	V442	G440-V442 PolarHBondContact O-N 2.89Å
441	N	88.6	Confident	81.6	Confident	68 Å²	68	58.6 Å²	58.6	36%	0.364	36%	0.36	S	S	.	.	S	Bend	trans	-59.5	-11	-168.5	-63.7	-26	0	0	0	116.7	N458 T459 Q464	N441-N458 CarbonylContact O-C 3.59Å; N441-N458 WeakPolarHBondContact O-CA 3.32Å; N441-N458 PolarHBondContact O-OD1 3.4Å; N441-N458 VanDerWaalsContact O-OD1 3.11Å; N441-T459 PolarHBondContact O-N 3.45Å; N441-T459 PolarHBondContact O-OG1 2.85Å; N441-Q464 PolarHBondContact ND2-OE1 3.39Å
442	V	91.1	Very high	83.4	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.2	-173	-179.3	0	0	0	0	110.4	G440 L456 K457 N458 Q464 M466 W469 L490 L531 A540	G440-V442 PolarHBondContact O-N 2.89Å; V442-L456 HydrophobicContact CG1-CB 4.04Å; V442-L456 HydrophobicContact CG1-CD1 4.15Å; V442-K457 CarbonylContact C-O 3.6Å; V442-K457 VanDerWaalsContact CA-O 3.29Å; V442-K457 WeakPolarHBondContact CA-O 3.37Å; V442-N458 HydrophobicContact CG2-CB 4.34Å; V442-Q464 HydrophobicContact CG2-CB 4.18Å; V442-Q464 HydrophobicContact CG2-CG 3.84Å; V442-M466 HydrophobicContact CG1-CE 4.27Å; V442-M466 HydrophobicContact CG2-CE 4.47Å; V442-M466 HydrophobicContact CG2-SD 4.06Å; V442-W469 HydrophobicContact CB-CZ3 4.39Å; V442-W469 HydrophobicContact CG2-CZ3 4.49Å; V442-L490 HydrophobicContact CG1-CD2 4.11Å; V442-L490 HydrophobicContact CG2-CD2 4.21Å; V442-L531 HydrophobicContact CB-CD2 4.17Å; V442-L531 HydrophobicContact CG1-CD2 3.76Å; V442-A540 WeakPolarHBondContact O-CB 3.5Å
443	C	91.9	Very high	84.7	Confident	32 Å²	32	54.9 Å²	54.9	22%	0.216	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	163.8	177.2	75.3	0	0	0	0	112.4	A438 E445 L456 K457	A438-C443 HydrophobicContact CB-CB 3.76Å; C443-E445 PolarHBondContact O-N 3.1Å; C443-L456 CarbonylContact O-C 3.56Å; C443-L456 VanDerWaalsContact O-CA 3.29Å; C443-L456 WeakPolarHBondContact O-CA 3.42Å; C443-K457 PolarHBondContact N-O 2.92Å; C443-K457 PolarHBondContact O-N 2.84Å
444	I	92.8	Very high	85.9	Confident	7 Å²	7	52 Å²	52	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	97.3	175.2	-57.3	155.6	0	0	0	108	I447 I454 R455 L456 V529 A540 R542	I444-I447 HydrophobicContact CG2-CG1 4.03Å; I444-I454 HydrophobicContact CG2-CG2 3.96Å; I444-R455 CarbonylContact C-O 3.59Å; I444-L456 HydrophobicContact CB-CD2 4.04Å; I444-L456 HydrophobicContact CG1-CD2 3.52Å; I444-L456 HydrophobicContact CG2-CD2 4.26Å; I444-V529 HydrophobicContact CD1-CB 4.17Å; I444-V529 HydrophobicContact CD1-CG1 3.82Å; I444-V529 HydrophobicContact CG1-CG1 4.47Å; I444-A540 HydrophobicContact CD1-CB 4.23Å; I444-A540 HydrophobicContact CG1-CB 4.29Å; I444-R542 HydrophobicContact CB-CB 3.97Å; I444-R542 HydrophobicContact CD1-CB 4.02Å; I444-R542 HydrophobicContact CG2-CB 3.98Å; I444-R542 WeakPolarHBondContact O-CD 3.14Å; I444-R542 PolarHBondContact O-NH1 3.43Å
445	E	89.6	Confident	86.8	Confident	55 Å²	55	49.1 Å²	49.1	26%	0.257	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-32.6	-173.9	-169.5	-175.6	-126.8	0	0	112.7	C443 R455 K457 R542	C443-E445 PolarHBondContact O-N 3.1Å; E445-R455 PolarHBondContact N-O 2.9Å; E445-R455 IonicContact OE2-CZ 2.67Å; E445-R455 IonicContact OE2-NE 2.66Å; E445-R455 PolarHBondContact OE2-NE 2.9Å; E445-R455 IonicContact OE2-NH2 3.11Å; E445-R455 PolarHBondContact OE2-NH2 3.37Å; E445-K457 HydrophobicContact CB-CB 4.14Å; E445-K457 VanDerWaalsContact OE1-CD 3.32Å; E445-K457 WeakPolarHBondContact OE1-CD 3.48Å; E445-K457 WeakPolarHBondContact OE1-CE 3.47Å; E445-K457 IonicContact OE1-NZ 3.62Å; E445-K457 PolarHBondContact OE1-NZ 2.81Å; E445-R542 PolarHBondContact O-NH1 3.08Å
446	E	90.1	Very high	87.5	Confident	73 Å²	73	46.3 Å²	46.3	34%	0.341	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	146.4	177.4	-169.4	161.8	-150	0	0	112.6	F453 R455	E446-F453 HydrophobicContact CB-CE2 4.35Å; E446-F453 HydrophobicContact CG-CE2 4.06Å; E446-F453 HydrophobicContact CG-CZ 4.43Å; E446-R455 HydrophobicContact CB-CB 4.27Å; E446-R455 PolarHBondContact N-O 2.84Å; E446-R455 PolarHBondContact O-N 3.16Å; E446-R455 IonicContact OE2-CZ 3.91Å; E446-R455 IonicContact OE2-NH1 3.88Å; E446-R455 PolarHBondContact OE2-NH1 2.92Å; E446-R455 IonicContact OE2-NH2 3.36Å; E446-R455 PolarHBondContact OE2-NH2 3.37Å
447	I	88.6	Confident	88	Confident	20 Å²	20	46.2 Å²	46.2	10%	0.103	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.3	165	-60	170.4	0	0	0	105.2	I444 V527 V529 R542 T544	I444-I447 HydrophobicContact CG2-CG1 4.03Å; I447-V527 HydrophobicContact CG2-CG1 4.17Å; I447-V529 HydrophobicContact CD1-CB 3.97Å; I447-V529 HydrophobicContact CD1-CG2 3.55Å; I447-V529 HydrophobicContact CG1-CG2 3.97Å; I447-R542 HydrophobicContact CD1-CB 3.93Å; I447-R542 HydrophobicContact CD1-CG 3.72Å; I447-R542 HydrophobicContact CG1-CG 4.4Å; I447-T544 HydrophobicContact CD1-CG2 4.44Å
448	D	87.9	Confident	88.5	Confident	26 Å²	26	43.1 Å²	43.1	14%	0.139	24%	0.239	C	C	.	.			trans	-73.3	128.4	176.9	178.7	57.6	0	0	0	111.1	D450 G451 K452 F453	D448-D450 VanDerWaalsContact C-N 3.25Å; D448-D450 PolarHBondContact O-N 2.81Å; D448-D450 WeakPolarHBondContact OD2-CB 3.3Å; D448-D450 PolarHBondContact OD2-N 2.88Å; D448-G451 PolarHBondContact O-N 3.2Å; D448-G451 PolarHBondContact OD2-N 3.23Å; D448-G451 VanDerWaalsContact OD2-N 3.17Å; D448-K452 WeakPolarHBondContact OD2-CA 3.48Å; D448-K452 WeakPolarHBondContact OD2-CB 3.22Å; D448-K452 WeakPolarHBondContact OD2-CG 3.43Å; D448-K452 PolarHBondContact OD2-N 3.47Å; D448-F453 HydrophobicContact CB-CD1 3.67Å; D448-F453 HydrophobicContact CB-CD2 4.33Å; D448-F453 HydrophobicContact CB-CE1 3.64Å; D448-F453 HydrophobicContact CB-CE2 4.3Å; D448-F453 HydrophobicContact CB-CG 4.02Å; D448-F453 HydrophobicContact CB-CZ 3.97Å; D448-F453 VanDerWaalsContact CB-O 3.27Å; D448-F453 WeakPolarHBondContact CB-O 3.36Å; D448-F453 PolarHBondContact N-O 3.44Å; D448-F453 VanDerWaalsContact N-O 3.08Å
449	V	79.6	Confident	89	Confident	95 Å²	95	45 Å²	45	58%	0.576	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-21	-178.6	-69.9	0	0	0	0	113.5	G451 T523	V449-G451 VanDerWaalsContact C-N 3.31Å; V449-T523 VanDerWaalsContact O-CG2 3.25Å; V449-T523 WeakPolarHBondContact O-CG2 3.13Å
450	D	80.9	Confident	89.5	Confident	92 Å²	92	40.3 Å²	40.3	49%	0.492	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	2.2	171.7	-68.1	-18.4	0	0	0	112.7	D448 K452 T523	D448-D450 VanDerWaalsContact C-N 3.25Å; D448-D450 PolarHBondContact O-N 2.81Å; D448-D450 WeakPolarHBondContact OD2-CB 3.3Å; D448-D450 PolarHBondContact OD2-N 2.88Å; D450-K452 VanDerWaalsContact C-N 3.33Å; D450-K452 HydrophobicContact CB-CD 4.03Å; D450-K452 VanDerWaalsContact CB-CE 3.47Å; D450-K452 HydrophobicContact CB-CG 4.17Å; D450-K452 PolarHBondContact O-N 3.03Å; D450-K452 WeakPolarHBondContact OD2-CE 3.44Å; D450-K452 IonicContact OD2-NZ 2.81Å; D450-K452 PolarHBondContact OD2-NZ 3.36Å; D450-T523 VanDerWaalsContact C-CG2 3.4Å
451	G	85.5	Confident	89.9	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.01	24%	0.243	C	C	.	.	S	Bend	trans	66.6	27	178.1	0	0	0	0	0	114.5	D448 V449 S520 W521	D448-G451 PolarHBondContact O-N 3.2Å; D448-G451 PolarHBondContact OD2-N 3.23Å; D448-G451 VanDerWaalsContact OD2-N 3.17Å; V449-G451 VanDerWaalsContact C-N 3.31Å; G451-S520 PolarHBondContact O-OG 2.82Å; G451-W521 WeakPolarHBondContact O-CB 3.34Å; G451-W521 PolarHBondContact O-N 3.31Å
452	K	89.5	Confident	90.1	Very high	81 Å²	81	51.4 Å²	51.4	35%	0.352	26%	0.258	S	S	.	.	S	Bend	trans	-85	-34.8	179	-59.7	160.6	-172.1	151.3	0	112.5	D448 D450 A500 A503	D448-K452 WeakPolarHBondContact OD2-CA 3.48Å; D448-K452 WeakPolarHBondContact OD2-CB 3.22Å; D448-K452 WeakPolarHBondContact OD2-CG 3.43Å; D448-K452 PolarHBondContact OD2-N 3.47Å; D450-K452 VanDerWaalsContact C-N 3.33Å; D450-K452 HydrophobicContact CB-CD 4.03Å; D450-K452 VanDerWaalsContact CB-CE 3.47Å; D450-K452 HydrophobicContact CB-CG 4.17Å; D450-K452 PolarHBondContact O-N 3.03Å; D450-K452 WeakPolarHBondContact OD2-CE 3.44Å; D450-K452 IonicContact OD2-NZ 2.81Å; D450-K452 PolarHBondContact OD2-NZ 3.36Å; K452-A500 PolarHBondContact O-N 2.99Å; K452-A503 HydrophobicContact CB-CB 4.17Å
453	F	91.8	Very high	90.2	Very high	25 Å²	25	55.4 Å²	55.4	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	163.9	-179.2	69.2	-89.9	0	0	0	114.3	E446 D448 R455 T497 I498 W499	E446-F453 HydrophobicContact CB-CE2 4.35Å; E446-F453 HydrophobicContact CG-CE2 4.06Å; E446-F453 HydrophobicContact CG-CZ 4.43Å; D448-F453 HydrophobicContact CB-CD1 3.67Å; D448-F453 HydrophobicContact CB-CD2 4.33Å; D448-F453 HydrophobicContact CB-CE1 3.64Å; D448-F453 HydrophobicContact CB-CE2 4.3Å; D448-F453 HydrophobicContact CB-CG 4.02Å; D448-F453 HydrophobicContact CB-CZ 3.97Å; D448-F453 VanDerWaalsContact CB-O 3.27Å; D448-F453 WeakPolarHBondContact CB-O 3.36Å; D448-F453 PolarHBondContact N-O 3.44Å; D448-F453 VanDerWaalsContact N-O 3.08Å; F453-R455 HydrophobicContact CD2-CB 4.4Å; F453-R455 HydrophobicContact CE2-CB 4.45Å; F453-T497 HydrophobicContact CB-CG2 3.7Å; F453-T497 HydrophobicContact CD2-CG2 3.67Å; F453-T497 HydrophobicContact CG-CG2 3.82Å; F453-I498 WeakPolarHBondContact CA-O 3.36Å; F453-W499 HydrophobicContact CB-CD2 4.04Å; F453-W499 HydrophobicContact CB-CE3 3.7Å; F453-W499 HydrophobicContact CB-CZ3 4.04Å; F453-W499 HydrophobicContact CD1-CE3 4.03Å; F453-W499 AromaticContact CD1-CH2 3.89Å; F453-W499 HydrophobicContact CD1-CH2 3.89Å; F453-W499 AromaticContact CD1-CZ3 3.47Å; F453-W499 HydrophobicContact CD1-CZ3 3.47Å; F453-W499 VanDerWaalsContact CD1-CZ3 3.47Å; F453-W499 HydrophobicContact CE1-CH2 4.36Å; F453-W499 HydrophobicContact CE1-CZ3 4.25Å; F453-W499 HydrophobicContact CG-CE3 4.2Å; F453-W499 HydrophobicContact CG-CH2 4.34Å; F453-W499 HydrophobicContact CG-CZ3 4.01Å
454	I	93.7	Very high	90.3	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.2	162	-62.1	169.9	0	0	0	107	I444 L456 M471 I498 W521 V529	I444-I454 HydrophobicContact CG2-CG2 3.96Å; I454-L456 HydrophobicContact CG2-CD2 4.47Å; I454-M471 HydrophobicContact CB-CE 3.96Å; I454-M471 HydrophobicContact CB-SD 4.4Å; I454-M471 HydrophobicContact CD1-CE 4.1Å; I454-M471 HydrophobicContact CG2-CE 4.04Å; I454-M471 HydrophobicContact CG2-SD 3.81Å; I454-I498 PolarHBondContact N-O 3.43Å; I454-I498 PolarHBondContact O-N 3.32Å; I454-W521 HydrophobicContact CD1-CD2 3.5Å; I454-W521 VanDerWaalsContact CD1-CD2 3.5Å; I454-W521 HydrophobicContact CD1-CE3 3.36Å; I454-W521 HydrophobicContact CD1-CG 4.1Å; I454-W521 HydrophobicContact CD1-CH2 4.09Å; I454-W521 HydrophobicContact CD1-CZ2 4.18Å; I454-W521 HydrophobicContact CD1-CZ3 3.67Å; I454-W521 HydrophobicContact CG1-CD2 3.96Å; I454-W521 HydrophobicContact CG1-CE3 4.33Å; I454-W521 HydrophobicContact CG1-CG 4.14Å; I454-V529 HydrophobicContact CD1-CG1 4.04Å; I454-V529 HydrophobicContact CD1-CG2 3.63Å; I454-V529 HydrophobicContact CG1-CG2 4.47Å; I454-V529 HydrophobicContact CG2-CG1 4.41Å
455	R	94.3	Very high	90.4	Very high	52 Å²	52	58.5 Å²	58.5	20%	0.196	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.9	177.1	-168	166.9	65.8	-101	-8.9	111.3	I444 E445 E446 F453 V496 T497	I444-R455 CarbonylContact C-O 3.59Å; E445-R455 PolarHBondContact N-O 2.9Å; E445-R455 IonicContact OE2-CZ 2.67Å; E445-R455 IonicContact OE2-NE 2.66Å; E445-R455 PolarHBondContact OE2-NE 2.9Å; E445-R455 IonicContact OE2-NH2 3.11Å; E445-R455 PolarHBondContact OE2-NH2 3.37Å; E446-R455 HydrophobicContact CB-CB 4.27Å; E446-R455 PolarHBondContact N-O 2.84Å; E446-R455 PolarHBondContact O-N 3.16Å; E446-R455 IonicContact OE2-CZ 3.91Å; E446-R455 IonicContact OE2-NH1 3.88Å; E446-R455 PolarHBondContact OE2-NH1 2.92Å; E446-R455 IonicContact OE2-NH2 3.36Å; E446-R455 PolarHBondContact OE2-NH2 3.37Å; F453-R455 HydrophobicContact CD2-CB 4.4Å; F453-R455 HydrophobicContact CE2-CB 4.45Å; R455-V496 WeakPolarHBondContact CA-O 3.39Å; R455-V496 WeakPolarHBondContact CG-O 3.47Å; R455-T497 WeakPolarHBondContact CD-OG1 3.17Å
456	L	94.7	Very high	90.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	158.8	171.3	-55.2	-172.5	0	0	0	110.9	V442 C443 I444 I454 M466 M471 Y484 T495 V496 I498 L531	V442-L456 HydrophobicContact CG1-CB 4.04Å; V442-L456 HydrophobicContact CG1-CD1 4.15Å; C443-L456 CarbonylContact O-C 3.56Å; C443-L456 VanDerWaalsContact O-CA 3.29Å; C443-L456 WeakPolarHBondContact O-CA 3.42Å; I444-L456 HydrophobicContact CB-CD2 4.04Å; I444-L456 HydrophobicContact CG1-CD2 3.52Å; I444-L456 HydrophobicContact CG2-CD2 4.26Å; I454-L456 HydrophobicContact CG2-CD2 4.47Å; L456-M466 HydrophobicContact CD1-CE 4.37Å; L456-M471 HydrophobicContact CD1-SD 4.17Å; L456-M471 HydrophobicContact CD2-SD 3.89Å; L456-M471 HydrophobicContact CG-SD 4.17Å; L456-Y484 WeakPolarHBondContact CD1-OH 3.34Å; L456-T495 CarbonylContact O-C 3.56Å; L456-T495 VanDerWaalsContact O-CA 3.24Å; L456-T495 WeakPolarHBondContact O-CA 3.34Å; L456-V496 HydrophobicContact CB-CG1 3.88Å; L456-V496 PolarHBondContact N-O 2.96Å; L456-V496 PolarHBondContact O-N 3.49Å; L456-I498 HydrophobicContact CG-CD1 4.26Å; L456-L531 HydrophobicContact CD1-CD1 3.96Å; L456-L531 HydrophobicContact CD1-CD2 3.89Å
457	K	94.1	Very high	90.5	Very high	71 Å²	71	53.7 Å²	53.7	31%	0.309	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.3	175.3	-171.7	178.8	-148	156.3	0	110.7	V442 C443 E445 T459 T495	V442-K457 CarbonylContact C-O 3.6Å; V442-K457 VanDerWaalsContact CA-O 3.29Å; V442-K457 WeakPolarHBondContact CA-O 3.37Å; C443-K457 PolarHBondContact N-O 2.92Å; C443-K457 PolarHBondContact O-N 2.84Å; E445-K457 HydrophobicContact CB-CB 4.14Å; E445-K457 VanDerWaalsContact OE1-CD 3.32Å; E445-K457 WeakPolarHBondContact OE1-CD 3.48Å; E445-K457 WeakPolarHBondContact OE1-CE 3.47Å; E445-K457 IonicContact OE1-NZ 3.62Å; E445-K457 PolarHBondContact OE1-NZ 2.81Å; K457-T459 HydrophobicContact CD-CG2 4.26Å; K457-T459 HydrophobicContact CG-CG2 4.32Å; K457-T459 PolarHBondContact O-N 2.98Å; K457-T495 HydrophobicContact CB-CG2 3.95Å; K457-T495 HydrophobicContact CD-CG2 4.21Å; K457-T495 HydrophobicContact CG-CG2 3.78Å
458	N	93.8	Very high	90.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	115.2	162.6	-177.8	-9	0	0	0	108.2	N441 V442 S460 Q462 L490 K491 G493 Q494	N441-N458 CarbonylContact O-C 3.59Å; N441-N458 WeakPolarHBondContact O-CA 3.32Å; N441-N458 PolarHBondContact O-OD1 3.4Å; N441-N458 VanDerWaalsContact O-OD1 3.11Å; V442-N458 HydrophobicContact CG2-CB 4.34Å; N458-S460 WeakPolarHBondContact OD1-CB 3.38Å; N458-S460 PolarHBondContact OD1-N 2.94Å; N458-S460 PolarHBondContact OD1-O 2.64Å; N458-S460 PolarHBondContact OD1-OG 2.83Å; N458-Q462 PolarHBondContact ND2-O 3.15Å; N458-L490 HydrophobicContact CB-CD2 3.88Å; N458-L490 HydrophobicContact CB-CG 3.88Å; N458-L490 PolarHBondContact ND2-O 3.29Å; N458-K491 WeakPolarHBondContact CB-O 3.37Å; N458-K491 PolarHBondContact ND2-O 3.09Å; N458-K491 VanDerWaalsContact ND2-O 3.08Å; N458-G493 CarbonylContact O-C 3.6Å; N458-G493 WeakPolarHBondContact O-CA 3.18Å; N458-G493 PolarHBondContact O-N 2.67Å; N458-Q494 PolarHBondContact N-O 3.32Å
459	T	91.1	Very high	90.8	Very high	89 Å²	89	54.6 Å²	54.6	55%	0.546	30%	0.296	S	S	.	.			trans	-94.6	2.6	-180	50.9	0	0	0	0	113	N441 K457	N441-T459 PolarHBondContact O-N 3.45Å; N441-T459 PolarHBondContact O-OG1 2.85Å; K457-T459 HydrophobicContact CD-CG2 4.26Å; K457-T459 HydrophobicContact CG-CG2 4.32Å; K457-T459 PolarHBondContact O-N 2.98Å
460	S	89.6	Confident	91.5	Very high	23 Å²	23	51.7 Å²	51.7	16%	0.161	28%	0.276	C	S	.	.	S	Bend	trans	-97.8	163.8	177.1	78.9	0	0	0	0	112.7	N458 Q462 A492 G493	N458-S460 WeakPolarHBondContact OD1-CB 3.38Å; N458-S460 PolarHBondContact OD1-N 2.94Å; N458-S460 PolarHBondContact OD1-O 2.64Å; N458-S460 PolarHBondContact OD1-OG 2.83Å; S460-Q462 PolarHBondContact O-N 2.71Å; S460-Q462 PolarHBondContact OG-N 3.04Å; S460-Q462 PolarHBondContact OG-O 3.41Å; S460-A492 WeakPolarHBondContact O-CA 3.36Å; S460-G493 PolarHBondContact O-N 2.91Å
461	E	89.3	Confident	92.1	Very high	191 Å²	191	47.3 Å²	47.3	89%	0.893	25%	0.253	S	S	*	.	S	Bend	trans	-81.8	8	173.4	-58.5	-173.5	158.4	0	0	113.3	A492	E461-A492 WeakPolarHBondContact O-CB 3.41Å
462	Q	91.8	Very high	92.5	Very high	144 Å²	144	48.6 Å²	48.6	67%	0.673	26%	0.259	S	S	*	.	S	Bend	trans	-120.9	147.6	-176.9	-60.8	-174	13.6	0	0	112	N458 S460 Q464	N458-Q462 PolarHBondContact ND2-O 3.15Å; S460-Q462 PolarHBondContact O-N 2.71Å; S460-Q462 PolarHBondContact OG-N 3.04Å; S460-Q462 PolarHBondContact OG-O 3.41Å; Q462-Q464 PolarHBondContact O-N 2.85Å
463	D	94.6	Very high	92.6	Very high	85 Å²	85	45.7 Å²	45.7	46%	0.455	25%	0.246	S	C	.	.			trans	-70.9	118.8	176.6	-81.8	12.2	0	0	0	110.7	P465 V489 K491 A492	D463-P465 VanDerWaalsContact O-CD 3.28Å; D463-P465 WeakPolarHBondContact O-CD 3.43Å; D463-V489 HydrophobicContact CB-CG1 3.92Å; D463-K491 WeakPolarHBondContact OD1-CA 3.41Å; D463-K491 VanDerWaalsContact OD1-CB 3.3Å; D463-K491 WeakPolarHBondContact OD1-CB 3.49Å; D463-A492 PolarHBondContact OD1-N 2.92Å
464	Q	93.1	Very high	92.5	Very high	29 Å²	29	48.9 Å²	48.9	14%	0.136	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	112.4	-177.3	-177.9	61.3	61.9	0	0	111.2	N441 V442 Q462 M466 W469 V489 L490	N441-Q464 PolarHBondContact ND2-OE1 3.39Å; V442-Q464 HydrophobicContact CG2-CB 4.18Å; V442-Q464 HydrophobicContact CG2-CG 3.84Å; Q462-Q464 PolarHBondContact O-N 2.85Å; Q464-M466 HydrophobicContact CB-SD 4.44Å; Q464-M466 HydrophobicContact CG-SD 3.67Å; Q464-M466 PolarHBondContact O-N 2.9Å; Q464-W469 HydrophobicContact CG-CH2 4.08Å; Q464-W469 HydrophobicContact CG-CZ2 4.13Å; Q464-V489 WeakPolarHBondContact O-CA 3.27Å; Q464-L490 PolarHBondContact N-O 3.3Å; Q464-L490 PolarHBondContact O-N 3.45Å
465	P	94.1	Very high	92.2	Very high	75 Å²	75	50.2 Å²	50.2	49%	0.487	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.3	167	27.8	-33.6	0	0	0	110.1	D463 W469 V489	D463-P465 VanDerWaalsContact O-CD 3.28Å; D463-P465 WeakPolarHBondContact O-CD 3.43Å; P465-W469 PolarHBondContact O-NE1 3.14Å; P465-V489 HydrophobicContact CB-CG2 4.49Å
466	M	92.6	Very high	91.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.288	C	S	.	.			trans	-107	10.5	179.4	-50.7	-69.6	-74.1	0	0	112	V442 L456 Q464 G468 W469 Y484 Y488 L490 L531	V442-M466 HydrophobicContact CG1-CE 4.27Å; V442-M466 HydrophobicContact CG2-CE 4.47Å; V442-M466 HydrophobicContact CG2-SD 4.06Å; L456-M466 HydrophobicContact CD1-CE 4.37Å; Q464-M466 HydrophobicContact CB-SD 4.44Å; Q464-M466 HydrophobicContact CG-SD 3.67Å; Q464-M466 PolarHBondContact O-N 2.9Å; M466-G468 PolarHBondContact O-N 3.24Å; M466-G468 VanDerWaalsContact O-N 3.11Å; M466-W469 VanDerWaalsContact C-CD1 3.43Å; M466-W469 HydrophobicContact CB-CB 4.39Å; M466-W469 HydrophobicContact CB-CG 4.25Å; M466-W469 HydrophobicContact CE-CD2 3.88Å; M466-W469 HydrophobicContact CE-CE3 3.3Å; M466-W469 HydrophobicContact CE-CG 4.44Å; M466-W469 HydrophobicContact CE-CZ3 3.7Å; M466-W469 VanDerWaalsContact O-CB 3.29Å; M466-W469 WeakPolarHBondContact O-CB 3.2Å; M466-W469 PolarHBondContact O-N 2.83Å; M466-W469 HydrophobicContact SD-CD2 3.93Å; M466-W469 HydrophobicContact SD-CE3 3.74Å; M466-W469 HydrophobicContact SD-CH2 4.18Å; M466-W469 HydrophobicContact SD-CZ2 4.37Å; M466-W469 HydrophobicContact SD-CZ3 3.85Å; M466-Y484 HydrophobicContact CB-CD1 4.35Å; M466-Y484 HydrophobicContact CB-CG 4.09Å; M466-Y484 HydrophobicContact CE-CE2 4.42Å; M466-Y484 VanDerWaalsContact O-CB 3.29Å; M466-Y484 WeakPolarHBondContact O-CB 3.25Å; M466-Y488 HydrophobicContact CB-CD1 3.91Å; M466-Y488 HydrophobicContact CG-CD1 3.84Å; M466-Y488 HydrophobicContact CG-CE1 4.16Å; M466-Y488 PolarHBondContact N-O 2.98Å; M466-L490 HydrophobicContact CG-CB 4.11Å; M466-L490 HydrophobicContact SD-CB 4.46Å; M466-L531 HydrophobicContact CE-CD1 4.44Å; M466-L531 HydrophobicContact CE-CD2 4.31Å
467	G	90.4	Very high	90.8	Very high	27 Å²	27	59.1 Å²	59.1	28%	0.278	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	117.3	-175	0	0	0	0	0	111.9	W469	G467-W469 VanDerWaalsContact C-N 3.34Å
468	G	87.9	Confident	90.2	Very high	44 Å²	44	60 Å²	60	45%	0.454	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	3.9	-177.5	0	0	0	0	0	115.5	M466	M466-G468 PolarHBondContact O-N 3.24Å; M466-G468 VanDerWaalsContact O-N 3.11Å
469	W	94.8	Very high	90	Very high	21 Å²	21	63.6 Å²	63.6	8%	0.08	37%	0.369	C	S	.	.			trans	-70.8	155.2	171.6	-70.4	39.6	0	0	0	110.8	V442 Q464 P465 M466 G467 K483 Y484 L531 K532 N533 V539	V442-W469 HydrophobicContact CB-CZ3 4.39Å; V442-W469 HydrophobicContact CG2-CZ3 4.49Å; Q464-W469 HydrophobicContact CG-CH2 4.08Å; Q464-W469 HydrophobicContact CG-CZ2 4.13Å; P465-W469 PolarHBondContact O-NE1 3.14Å; M466-W469 VanDerWaalsContact C-CD1 3.43Å; M466-W469 HydrophobicContact CB-CB 4.39Å; M466-W469 HydrophobicContact CB-CG 4.25Å; M466-W469 HydrophobicContact CE-CD2 3.88Å; M466-W469 HydrophobicContact CE-CE3 3.3Å; M466-W469 HydrophobicContact CE-CG 4.44Å; M466-W469 HydrophobicContact CE-CZ3 3.7Å; M466-W469 VanDerWaalsContact O-CB 3.29Å; M466-W469 WeakPolarHBondContact O-CB 3.2Å; M466-W469 PolarHBondContact O-N 2.83Å; M466-W469 HydrophobicContact SD-CD2 3.93Å; M466-W469 HydrophobicContact SD-CE3 3.74Å; M466-W469 HydrophobicContact SD-CH2 4.18Å; M466-W469 HydrophobicContact SD-CZ2 4.37Å; M466-W469 HydrophobicContact SD-CZ3 3.85Å; G467-W469 VanDerWaalsContact C-N 3.34Å; W469-K483 WeakPolarHBondContact O-CA 3.36Å; W469-Y484 HydrophobicContact CB-CD2 3.96Å; W469-Y484 PolarHBondContact O-N 2.95Å; W469-L531 HydrophobicContact CE3-CD1 4.21Å; W469-L531 HydrophobicContact CE3-CD2 4.04Å; W469-L531 HydrophobicContact CE3-CG 3.98Å; W469-L531 HydrophobicContact CZ3-CD2 3.9Å; W469-L531 HydrophobicContact CZ3-CG 4.24Å; W469-K532 WeakPolarHBondContact CA-O 3.38Å; W469-K532 WeakPolarHBondContact CB-O 3.45Å; W469-N533 HydrophobicContact CD2-CB 4.26Å; W469-N533 HydrophobicContact CZ2-CB 4.17Å; W469-V539 HydrophobicContact CE3-CG2 4.1Å; W469-V539 HydrophobicContact CH2-CG2 4.12Å; W469-V539 HydrophobicContact CZ3-CG2 3.58Å
470	E	94.3	Very high	90	Very high	35 Å²	35	60.8 Å²	60.8	16%	0.164	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.6	-177.5	-176.7	160.7	-144.9	0	0	111.8	I472 S481 Y482 K483 K532	E470-I472 HydrophobicContact CG-CD1 4.46Å; E470-I472 HydrophobicContact CG-CG1 3.92Å; E470-S481 WeakPolarHBondContact OE1-CB 3.34Å; E470-S481 PolarHBondContact OE1-OG 2.83Å; E470-Y482 CarbonylContact C-O 3.4Å; E470-Y482 WeakPolarHBondContact CA-O 2.83Å; E470-K483 HydrophobicContact CB-CG 4.14Å; E470-K483 HydrophobicContact CG-CG 3.91Å; E470-K483 WeakPolarHBondContact OE1-CE 3.31Å; E470-K483 IonicContact OE1-NZ 2.67Å; E470-K483 PolarHBondContact OE1-NZ 3.38Å; E470-K483 IonicContact OE2-NZ 3.85Å; E470-K483 PolarHBondContact OE2-NZ 2.92Å; E470-K532 PolarHBondContact N-O 2.94Å; E470-K532 PolarHBondContact O-N 3.24Å
471	M	94.1	Very high	90.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.8	173.7	-172.7	165	71.5	0	0	109.3	I454 L456 S481 Y482 Y484 I498 W521 V529 I530 L531	I454-M471 HydrophobicContact CB-CE 3.96Å; I454-M471 HydrophobicContact CB-SD 4.4Å; I454-M471 HydrophobicContact CD1-CE 4.1Å; I454-M471 HydrophobicContact CG2-CE 4.04Å; I454-M471 HydrophobicContact CG2-SD 3.81Å; L456-M471 HydrophobicContact CD1-SD 4.17Å; L456-M471 HydrophobicContact CD2-SD 3.89Å; L456-M471 HydrophobicContact CG-SD 4.17Å; M471-S481 CarbonylContact O-C 3.54Å; M471-S481 VanDerWaalsContact O-CA 3.28Å; M471-S481 WeakPolarHBondContact O-CA 3.29Å; M471-Y482 PolarHBondContact N-O 3.18Å; M471-Y482 PolarHBondContact O-N 2.86Å; M471-Y484 HydrophobicContact CB-CE2 4.31Å; M471-I498 HydrophobicContact CE-CB 4.08Å; M471-I498 HydrophobicContact CE-CD1 3.97Å; M471-I498 HydrophobicContact CE-CG1 4.04Å; M471-W521 HydrophobicContact CE-CH2 3.39Å; M471-W521 HydrophobicContact CE-CZ2 3.55Å; M471-W521 HydrophobicContact CE-CZ3 4.25Å; M471-V529 HydrophobicContact CG-CG1 3.88Å; M471-V529 HydrophobicContact SD-CG1 4.22Å; M471-I530 CarbonylContact C-O 3.6Å; M471-I530 WeakPolarHBondContact CA-O 3.46Å; M471-L531 HydrophobicContact CB-CD1 4.09Å
472	I	93	Very high	90.4	Very high	28 Å²	28	54.4 Å²	54.4	14%	0.144	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.4	-175.6	-52.5	-178.9	0	0	0	109	E470 V480 V529 I530 K532	E470-I472 HydrophobicContact CG-CD1 4.46Å; E470-I472 HydrophobicContact CG-CG1 3.92Å; I472-V480 WeakPolarHBondContact CA-O 3.45Å; I472-V529 CarbonylContact O-C 3.57Å; I472-V529 WeakPolarHBondContact O-CA 3.25Å; I472-I530 PolarHBondContact N-O 3.32Å; I472-I530 PolarHBondContact O-N 3.29Å; I472-K532 HydrophobicContact CD1-CD 3.84Å
473	R	91.9	Very high	90.4	Very high	19 Å²	19	53.9 Å²	53.9	7%	0.072	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.4	173.6	178	-116.7	70	173.4	6.4	110.4	T478 S479 V480 W521 V527 V529	R473-T478 PolarHBondContact NH2-O 3.33Å; R473-S479 WeakPolarHBondContact O-CA 3.48Å; R473-V480 HydrophobicContact CB-CG2 4.23Å; R473-V480 PolarHBondContact N-O 3.31Å; R473-V480 PolarHBondContact O-N 3.24Å; R473-W521 HydrophobicContact CB-CE3 3.95Å; R473-W521 HydrophobicContact CB-CZ3 4.04Å; R473-W521 WeakPolarHBondContact CD-O 3.33Å; R473-W521 HydrophobicContact CG-CE3 4.42Å; R473-W521 PolarHBondContact NH1-O 2.89Å; R473-V527 HydrophobicContact CG-CG1 4.17Å; R473-V529 HydrophobicContact CB-CG2 4.24Å; R473-V529 HydrophobicContact CG-CG2 4.06Å
474	K	89.7	Confident	90.4	Very high	93 Å²	93	50.2 Å²	50.2	40%	0.404	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.5	172.1	-58.1	-174.1	178.5	-175.2	0	109.8	T478 K528 I530	K474-T478 WeakPolarHBondContact CA-O 3.2Å; K474-K528 PolarHBondContact N-O 3.02Å; K474-K528 PolarHBondContact O-N 3.43Å; K474-I530 HydrophobicContact CD-CD1 4.47Å
475	I	88	Confident	90.2	Very high	28 Å²	28	53.3 Å²	53.3	14%	0.144	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	112.5	166.4	-61.1	179.4	0	0	0	105.3	D477 T478 V527	I475-D477 PolarHBondContact O-N 3.33Å; I475-T478 PolarHBondContact N-O 2.96Å; I475-T478 PolarHBondContact O-N 3.41Å; I475-V527 HydrophobicContact CD1-CG1 4.22Å; I475-V527 HydrophobicContact CD1-CG2 3.9Å; I475-V527 HydrophobicContact CG1-CB 4.3Å; I475-V527 HydrophobicContact CG1-CG1 4.05Å; I475-V527 HydrophobicContact CG1-CG2 4.05Å
476	G	81.2	Confident	89.9	Confident	63 Å²	63	55 Å²	55	65%	0.649	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	-137.6	-161.7	0	0	0	0	0	111.4	T478	G476-T478 PolarHBondContact O-N 2.89Å
477	D	77	Confident	89.7	Confident	176 Å²	176	66.4 Å²	66.4	94%	0.941	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.7	176.4	-61.9	-42.9	0	0	0	114.2	I475 S479	I475-D477 PolarHBondContact O-N 3.33Å; D477-S479 PolarHBondContact O-N 2.88Å
478	T	82	Confident	89.8	Confident	89 Å²	89	66 Å²	66	55%	0.546	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	109	-175.6	-56.4	0	0	0	0	110.8	R473 K474 I475 G476	R473-T478 PolarHBondContact NH2-O 3.33Å; K474-T478 WeakPolarHBondContact CA-O 3.2Å; I475-T478 PolarHBondContact N-O 2.96Å; I475-T478 PolarHBondContact O-N 3.41Å; G476-T478 PolarHBondContact O-N 2.89Å
479	S	89.8	Confident	90.1	Very high	76 Å²	76	66.9 Å²	66.9	53%	0.531	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.1	170.6	70	0	0	0	0	112.7	R473 D477	R473-S479 WeakPolarHBondContact O-CA 3.48Å; D477-S479 PolarHBondContact O-N 2.88Å
480	V	91.4	Very high	90.1	Very high	30 Å²	30	65.9 Å²	65.9	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.6	173.4	-59.7	0	0	0	0	109.8	I472 R473 W515	I472-V480 WeakPolarHBondContact CA-O 3.45Å; R473-V480 HydrophobicContact CB-CG2 4.23Å; R473-V480 PolarHBondContact N-O 3.31Å; R473-V480 PolarHBondContact O-N 3.24Å; V480-W515 HydrophobicContact CB-CH2 3.75Å; V480-W515 HydrophobicContact CG2-CH2 3.68Å; V480-W515 HydrophobicContact CG2-CZ3 3.99Å
481	S	92.7	Very high	90.1	Very high	51 Å²	51	70 Å²	70	36%	0.357	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141	-174.4	70.4	0	0	0	0	116.3	E470 M471 W515	E470-S481 WeakPolarHBondContact OE1-CB 3.34Å; E470-S481 PolarHBondContact OE1-OG 2.83Å; M471-S481 CarbonylContact O-C 3.54Å; M471-S481 VanDerWaalsContact O-CA 3.28Å; M471-S481 WeakPolarHBondContact O-CA 3.29Å; S481-W515 VanDerWaalsContact C-CZ2 3.48Å; S481-W515 WeakPolarHBondContact O-CZ2 3.24Å
482	Y	93.1	Very high	90	Very high	29 Å²	29	72 Å²	72	11%	0.114	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.8	178	178.4	-92.5	0	0	0	110.2	E470 M471 Y484 I498 L513 W515	E470-Y482 CarbonylContact C-O 3.4Å; E470-Y482 WeakPolarHBondContact CA-O 2.83Å; M471-Y482 PolarHBondContact N-O 3.18Å; M471-Y482 PolarHBondContact O-N 2.86Å; Y482-Y484 HydrophobicContact CD1-CD2 4.45Å; Y482-Y484 HydrophobicContact CD1-CE1 4.42Å; Y482-Y484 HydrophobicContact CD1-CE2 4.16Å; Y482-Y484 HydrophobicContact CE1-CD1 4.04Å; Y482-Y484 AromaticContact CE1-CE1 3.89Å; Y482-Y484 HydrophobicContact CE1-CE1 3.89Å; Y482-Y484 HydrophobicContact CE1-CE2 4.39Å; Y482-Y484 HydrophobicContact CE1-CG 4.33Å; Y482-I498 HydrophobicContact CD1-CG2 4.21Å; Y482-I498 HydrophobicContact CD2-CG2 4.09Å; Y482-I498 HydrophobicContact CE1-CG1 4.36Å; Y482-I498 HydrophobicContact CE1-CG2 4.07Å; Y482-I498 HydrophobicContact CE2-CG2 3.94Å; Y482-I498 HydrophobicContact CG-CG2 4.22Å; Y482-L513 HydrophobicContact CE1-CD1 4.48Å; Y482-W515 HydrophobicContact CD2-CB 3.85Å; Y482-W515 AromaticContact CD2-CD1 3.63Å; Y482-W515 AromaticContact CD2-CD2 3.97Å; Y482-W515 HydrophobicContact CD2-CD2 3.97Å; Y482-W515 AromaticContact CD2-CG 3.56Å; Y482-W515 HydrophobicContact CD2-CG 3.56Å; Y482-W515 HydrophobicContact CE2-CB 4.04Å; Y482-W515 HydrophobicContact CE2-CG 4.14Å
483	K	93.5	Very high	89.9	Confident	134 Å²	134	73 Å²	73	58%	0.583	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.4	179.1	-64.8	-176.1	-164.3	-97	0	111.3	W469 E470	W469-K483 WeakPolarHBondContact O-CA 3.36Å; E470-K483 HydrophobicContact CB-CG 4.14Å; E470-K483 HydrophobicContact CG-CG 3.91Å; E470-K483 WeakPolarHBondContact OE1-CE 3.31Å; E470-K483 IonicContact OE1-NZ 2.67Å; E470-K483 PolarHBondContact OE1-NZ 3.38Å; E470-K483 IonicContact OE2-NZ 3.85Å; E470-K483 PolarHBondContact OE2-NZ 2.92Å
484	Y	93.3	Very high	90	Very high	8 Å²	8	73.7 Å²	73.7	3%	0.031	42%	0.416	C	S	.	.			trans	-76.4	142.8	177.6	-69.2	-88.7	0	0	0	111.2	L456 M466 W469 M471 Y482 Y488 I498 L513 L531	L456-Y484 WeakPolarHBondContact CD1-OH 3.34Å; M466-Y484 HydrophobicContact CB-CD1 4.35Å; M466-Y484 HydrophobicContact CB-CG 4.09Å; M466-Y484 HydrophobicContact CE-CE2 4.42Å; M466-Y484 VanDerWaalsContact O-CB 3.29Å; M466-Y484 WeakPolarHBondContact O-CB 3.25Å; W469-Y484 HydrophobicContact CB-CD2 3.96Å; W469-Y484 PolarHBondContact O-N 2.95Å; M471-Y484 HydrophobicContact CB-CE2 4.31Å; Y482-Y484 HydrophobicContact CD1-CD2 4.45Å; Y482-Y484 HydrophobicContact CD1-CE1 4.42Å; Y482-Y484 HydrophobicContact CD1-CE2 4.16Å; Y482-Y484 HydrophobicContact CE1-CD1 4.04Å; Y482-Y484 AromaticContact CE1-CE1 3.89Å; Y482-Y484 HydrophobicContact CE1-CE1 3.89Å; Y482-Y484 HydrophobicContact CE1-CE2 4.39Å; Y482-Y484 HydrophobicContact CE1-CG 4.33Å; Y484-Y488 AromaticContact CD1-CD1 3.98Å; Y484-Y488 HydrophobicContact CD1-CD1 3.98Å; Y484-Y488 HydrophobicContact CD1-CE1 4.35Å; Y484-Y488 HydrophobicContact CD1-CG 4.36Å; Y484-I498 WeakPolarHBondContact OH-CD1 3.37Å; Y484-L513 HydrophobicContact CD1-CD1 4.29Å; Y484-L513 HydrophobicContact CE1-CD1 4.05Å; Y484-L531 HydrophobicContact CE2-CD1 4.15Å
485	T	90.1	Very high	90.3	Very high	94 Å²	94	71.6 Å²	71.6	58%	0.577	41%	0.411	S	S	*	.			trans	-68.6	147.5	179.3	66.5	0	0	0	0	110.8	R487 Y488	T485-R487 PolarHBondContact O-N 3.49Å; T485-Y488 WeakPolarHBondContact O-CB 3.48Å; T485-Y488 PolarHBondContact O-N 3.23Å
486	S	86.7	Confident	90.6	Very high	111 Å²	111	70.3 Å²	70.3	78%	0.776	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-4.5	-173.2	-43.2	0	0	0	0	115.8
487	R	89.1	Confident	91.3	Very high	238 Å²	238	68 Å²	68	90%	0.898	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	4.7	176.6	-61.8	-172.2	-178.9	-140.2	1	113.4	T485	T485-R487 PolarHBondContact O-N 3.49Å
488	Y	93.1	Very high	92.2	Very high	20 Å²	20	59.6 Å²	59.6	8%	0.078	33%	0.332	C	S	.	.			trans	-78.7	131.2	179.8	-170.6	-86.6	0	0	0	111.2	M466 Y484 T485 L490 V496 P510 L513	M466-Y488 HydrophobicContact CB-CD1 3.91Å; M466-Y488 HydrophobicContact CG-CD1 3.84Å; M466-Y488 HydrophobicContact CG-CE1 4.16Å; M466-Y488 PolarHBondContact N-O 2.98Å; Y484-Y488 AromaticContact CD1-CD1 3.98Å; Y484-Y488 HydrophobicContact CD1-CD1 3.98Å; Y484-Y488 HydrophobicContact CD1-CE1 4.35Å; Y484-Y488 HydrophobicContact CD1-CG 4.36Å; T485-Y488 WeakPolarHBondContact O-CB 3.48Å; T485-Y488 PolarHBondContact O-N 3.23Å; Y488-L490 HydrophobicContact CE1-CB 4.08Å; Y488-V496 VanDerWaalsContact OH-CB 3.31Å; Y488-V496 WeakPolarHBondContact OH-CB 3.43Å; Y488-V496 VanDerWaalsContact OH-CG2 3.23Å; Y488-V496 WeakPolarHBondContact OH-CG2 3.33Å; Y488-P510 HydrophobicContact CE2-CB 3.88Å; Y488-P510 WeakPolarHBondContact CE2-O 3.44Å; Y488-P510 PolarHBondContact OH-O 2.78Å; Y488-L513 HydrophobicContact CD2-CD1 4.28Å; Y488-L513 HydrophobicContact CE2-CD1 3.87Å; Y488-L513 HydrophobicContact CE2-CD2 4.06Å; Y488-L513 HydrophobicContact CE2-CG 4.38Å
489	V	94	Very high	92.8	Very high	61 Å²	61	57.7 Å²	57.7	37%	0.37	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.4	177.9	-177.7	0	0	0	0	107.5	D463 Q464 P465	D463-V489 HydrophobicContact CB-CG1 3.92Å; Q464-V489 WeakPolarHBondContact O-CA 3.27Å; P465-V489 HydrophobicContact CB-CG2 4.49Å
490	L	94.6	Very high	92.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111.6	174.9	-173.2	61.2	0	0	0	108.4	V442 N458 Q464 M466 Y488 Q494 V496	V442-L490 HydrophobicContact CG1-CD2 4.11Å; V442-L490 HydrophobicContact CG2-CD2 4.21Å; N458-L490 HydrophobicContact CB-CD2 3.88Å; N458-L490 HydrophobicContact CB-CG 3.88Å; N458-L490 PolarHBondContact ND2-O 3.29Å; Q464-L490 PolarHBondContact N-O 3.3Å; Q464-L490 PolarHBondContact O-N 3.45Å; M466-L490 HydrophobicContact CG-CB 4.11Å; M466-L490 HydrophobicContact SD-CB 4.46Å; Y488-L490 HydrophobicContact CE1-CB 4.08Å; L490-Q494 HydrophobicContact CD1-CB 3.96Å; L490-Q494 HydrophobicContact CD1-CG 4Å; L490-Q494 HydrophobicContact CG-CB 4.46Å; L490-V496 HydrophobicContact CD1-CB 3.82Å; L490-V496 HydrophobicContact CD1-CG1 3.69Å; L490-V496 HydrophobicContact CD2-CG1 3.93Å; L490-V496 HydrophobicContact CG-CG1 4.44Å
491	K	93.5	Very high	92.8	Very high	122 Å²	122	54.8 Å²	54.8	53%	0.53	30%	0.299	S	S	.	.			trans	-66.5	162.3	-172.1	-63.3	-165.8	170.3	-167.8	0	113.4	N458 D463 G493 Q494	N458-K491 WeakPolarHBondContact CB-O 3.37Å; N458-K491 PolarHBondContact ND2-O 3.09Å; N458-K491 VanDerWaalsContact ND2-O 3.08Å; D463-K491 WeakPolarHBondContact OD1-CA 3.41Å; D463-K491 VanDerWaalsContact OD1-CB 3.3Å; D463-K491 WeakPolarHBondContact OD1-CB 3.49Å; K491-G493 PolarHBondContact O-N 2.96Å; K491-Q494 HydrophobicContact CB-CB 4Å; K491-Q494 VanDerWaalsContact CB-OE1 3.29Å; K491-Q494 WeakPolarHBondContact O-CB 3.23Å; K491-Q494 PolarHBondContact O-N 2.85Å
492	A	93.1	Very high	92.5	Very high	43 Å²	43	57.1 Å²	57.1	36%	0.355	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.8	129	170.5	0	0	0	0	0	111.5	S460 E461 D463 Q494	S460-A492 WeakPolarHBondContact O-CA 3.36Å; E461-A492 WeakPolarHBondContact O-CB 3.41Å; D463-A492 PolarHBondContact OD1-N 2.92Å; A492-Q494 PolarHBondContact O-N 2.93Å
493	G	90.1	Very high	92.1	Very high	49 Å²	49	57 Å²	57	51%	0.505	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	-2.4	-177.3	0	0	0	0	0	117	N458 S460 K491	N458-G493 CarbonylContact O-C 3.6Å; N458-G493 WeakPolarHBondContact O-CA 3.18Å; N458-G493 PolarHBondContact O-N 2.67Å; S460-G493 PolarHBondContact O-N 2.91Å; K491-G493 PolarHBondContact O-N 2.96Å
494	Q	94.1	Very high	91.5	Very high	33 Å²	33	54.3 Å²	54.3	15%	0.154	32%	0.323	C	S	.	.			trans	-79.4	142.2	-171.3	-167.1	-171.9	-12.7	0	0	112.4	N458 L490 K491 A492	N458-Q494 PolarHBondContact N-O 3.32Å; L490-Q494 HydrophobicContact CD1-CB 3.96Å; L490-Q494 HydrophobicContact CD1-CG 4Å; L490-Q494 HydrophobicContact CG-CB 4.46Å; K491-Q494 HydrophobicContact CB-CB 4Å; K491-Q494 VanDerWaalsContact CB-OE1 3.29Å; K491-Q494 WeakPolarHBondContact O-CB 3.23Å; K491-Q494 PolarHBondContact O-N 2.85Å; A492-Q494 PolarHBondContact O-N 2.93Å
495	T	95.2	Very high	91.2	Very high	49 Å²	49	56.5 Å²	56.5	30%	0.301	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	150.3	166.6	50.1	0	0	0	0	112.5	L456 K457	L456-T495 CarbonylContact O-C 3.56Å; L456-T495 VanDerWaalsContact O-CA 3.24Å; L456-T495 WeakPolarHBondContact O-CA 3.34Å; K457-T495 HydrophobicContact CB-CG2 3.95Å; K457-T495 HydrophobicContact CD-CG2 4.21Å; K457-T495 HydrophobicContact CG-CG2 3.78Å
496	V	95.6	Very high	91	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.5	169.6	55.5	0	0	0	0	110.1	R455 L456 Y488 L490 I498 T511 L513	R455-V496 WeakPolarHBondContact CA-O 3.39Å; R455-V496 WeakPolarHBondContact CG-O 3.47Å; L456-V496 HydrophobicContact CB-CG1 3.88Å; L456-V496 PolarHBondContact N-O 2.96Å; L456-V496 PolarHBondContact O-N 3.49Å; Y488-V496 VanDerWaalsContact OH-CB 3.31Å; Y488-V496 WeakPolarHBondContact OH-CB 3.43Å; Y488-V496 VanDerWaalsContact OH-CG2 3.23Å; Y488-V496 WeakPolarHBondContact OH-CG2 3.33Å; L490-V496 HydrophobicContact CD1-CB 3.82Å; L490-V496 HydrophobicContact CD1-CG1 3.69Å; L490-V496 HydrophobicContact CD2-CG1 3.93Å; L490-V496 HydrophobicContact CG-CG1 4.44Å; V496-I498 HydrophobicContact CG1-CD1 4.21Å; V496-I498 HydrophobicContact CG2-CD1 4.11Å; V496-I498 HydrophobicContact CG2-CG1 4.48Å; V496-T511 CarbonylContact C-O 3.6Å; V496-T511 WeakPolarHBondContact CA-O 3.49Å; V496-L513 HydrophobicContact CG2-CD1 3.77Å; V496-L513 HydrophobicContact CG2-CG 3.88Å
497	T	95.4	Very high	91	Very high	15 Å²	15	54.8 Å²	54.8	9%	0.092	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.7	176.5	-48	0	0	0	0	109.1	F453 R455 W499 T511 L513	F453-T497 HydrophobicContact CB-CG2 3.7Å; F453-T497 HydrophobicContact CD2-CG2 3.67Å; F453-T497 HydrophobicContact CG-CG2 3.82Å; R455-T497 WeakPolarHBondContact CD-OG1 3.17Å; T497-W499 HydrophobicContact CG2-CD2 3.99Å; T497-W499 VanDerWaalsContact CG2-CE2 3.44Å; T497-W499 HydrophobicContact CG2-CG 4.32Å; T497-W499 HydrophobicContact CG2-CH2 4.46Å; T497-W499 HydrophobicContact CG2-CZ2 3.73Å; T497-T511 PolarHBondContact N-O 2.89Å; T497-L513 PolarHBondContact O-N 3.38Å
498	I	94.9	Very high	91	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	99	178.9	-51.4	77.5	0	0	0	107.3	F453 I454 L456 M471 Y482 Y484 V496 L513 W521	F453-I498 WeakPolarHBondContact CA-O 3.36Å; I454-I498 PolarHBondContact N-O 3.43Å; I454-I498 PolarHBondContact O-N 3.32Å; L456-I498 HydrophobicContact CG-CD1 4.26Å; M471-I498 HydrophobicContact CE-CB 4.08Å; M471-I498 HydrophobicContact CE-CD1 3.97Å; M471-I498 HydrophobicContact CE-CG1 4.04Å; Y482-I498 HydrophobicContact CD1-CG2 4.21Å; Y482-I498 HydrophobicContact CD2-CG2 4.09Å; Y482-I498 HydrophobicContact CE1-CG1 4.36Å; Y482-I498 HydrophobicContact CE1-CG2 4.07Å; Y482-I498 HydrophobicContact CE2-CG2 3.94Å; Y482-I498 HydrophobicContact CG-CG2 4.22Å; Y484-I498 WeakPolarHBondContact OH-CD1 3.37Å; V496-I498 HydrophobicContact CG1-CD1 4.21Å; V496-I498 HydrophobicContact CG2-CD1 4.11Å; V496-I498 HydrophobicContact CG2-CG1 4.48Å; I498-L513 CarbonylContact C-O 3.53Å; I498-L513 WeakPolarHBondContact CA-O 3.37Å; I498-L513 HydrophobicContact CG1-CB 4.44Å; I498-L513 HydrophobicContact CG1-CD1 4.46Å; I498-L513 HydrophobicContact CG2-CB 4.44Å; I498-W521 HydrophobicContact CB-CZ2 4.14Å; I498-W521 HydrophobicContact CG2-CZ2 3.77Å; I498-W521 PolarHBondContact O-NE1 2.99Å
499	W	94.6	Very high	90.7	Very high	48 Å²	48	49.9 Å²	49.9	18%	0.182	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	141.8	-178.2	-60.9	95	0	0	0	111.3	F453 T497 A503 V505 D512 L513 I514 W515	F453-W499 HydrophobicContact CB-CD2 4.04Å; F453-W499 HydrophobicContact CB-CE3 3.7Å; F453-W499 HydrophobicContact CB-CZ3 4.04Å; F453-W499 HydrophobicContact CD1-CE3 4.03Å; F453-W499 AromaticContact CD1-CH2 3.89Å; F453-W499 HydrophobicContact CD1-CH2 3.89Å; F453-W499 AromaticContact CD1-CZ3 3.47Å; F453-W499 HydrophobicContact CD1-CZ3 3.47Å; F453-W499 VanDerWaalsContact CD1-CZ3 3.47Å; F453-W499 HydrophobicContact CE1-CH2 4.36Å; F453-W499 HydrophobicContact CE1-CZ3 4.25Å; F453-W499 HydrophobicContact CG-CE3 4.2Å; F453-W499 HydrophobicContact CG-CH2 4.34Å; F453-W499 HydrophobicContact CG-CZ3 4.01Å; T497-W499 HydrophobicContact CG2-CD2 3.99Å; T497-W499 VanDerWaalsContact CG2-CE2 3.44Å; T497-W499 HydrophobicContact CG2-CG 4.32Å; T497-W499 HydrophobicContact CG2-CH2 4.46Å; T497-W499 HydrophobicContact CG2-CZ2 3.73Å; W499-A503 HydrophobicContact CB-CB 4.39Å; W499-A503 HydrophobicContact CE3-CB 3.78Å; W499-V505 HydrophobicContact CD2-CB 3.99Å; W499-V505 HydrophobicContact CD2-CG1 4.23Å; W499-V505 HydrophobicContact CD2-CG2 3.75Å; W499-V505 HydrophobicContact CE3-CB 4.34Å; W499-V505 HydrophobicContact CE3-CG2 3.68Å; W499-V505 HydrophobicContact CG-CB 4.19Å; W499-V505 HydrophobicContact CG-CG1 4.33Å; W499-V505 HydrophobicContact CG-CG2 4.46Å; W499-V505 HydrophobicContact CH2-CG2 3.92Å; W499-V505 HydrophobicContact CZ2-CG1 4.44Å; W499-V505 HydrophobicContact CZ2-CG2 3.98Å; W499-V505 HydrophobicContact CZ3-CG2 3.77Å; W499-D512 PolarHBondContact NE1-OD1 2.98Å; W499-L513 PolarHBondContact N-O 3.17Å; W499-I514 HydrophobicContact CB-CG1 4.34Å; W499-I514 WeakPolarHBondContact O-CA 3.46Å; W499-W515 PolarHBondContact O-N 3.42Å
500	A	91.8	Very high	90.3	Very high	2 Å²	2	50 Å²	50	2%	0.017	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	158.9	168.2	0	0	0	0	0	111.4	K452 N502 A503 N519 S520	K452-A500 PolarHBondContact O-N 2.99Å; A500-N502 PolarHBondContact O-N 3.32Å; A500-A503 WeakPolarHBondContact O-CB 3.47Å; A500-A503 PolarHBondContact O-N 2.86Å; A500-A503 VanDerWaalsContact O-N 3.13Å; A500-N519 WeakPolarHBondContact CB-O 3.22Å; A500-S520 VanDerWaalsContact CB-CA 3.45Å
501	A	89.6	Confident	90.1	Very high	44 Å²	44	52.5 Å²	52.5	36%	0.364	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.4	-172.3	0	0	0	0	0	114.5	Q518	A501-Q518 VanDerWaalsContact CB-O 3.3Å; A501-Q518 WeakPolarHBondContact CB-O 3.31Å; A501-Q518 PolarHBondContact N-O 3.31Å
502	N	87.1	Confident	90.1	Very high	99 Å²	99	48.4 Å²	48.4	53%	0.529	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.9	177	83	-8	0	0	0	114.7	A500 G504 N519	A500-N502 PolarHBondContact O-N 3.32Å; N502-G504 PolarHBondContact O-N 3.22Å; N502-N519 WeakPolarHBondContact CB-O 3.47Å; N502-N519 PolarHBondContact N-O 2.89Å; N502-N519 VanDerWaalsContact N-O 3.15Å; N502-N519 PolarHBondContact ND2-O 3.3Å; N502-N519 PolarHBondContact OD1-O 2.84Å
503	A	84.3	Confident	90.1	Very high	27 Å²	27	47 Å²	47	22%	0.223	32%	0.318	C	S	.	.	S	Bend	trans	-72.1	-2.6	-164.9	0	0	0	0	0	115.1	K452 W499 A500 V505	K452-A503 HydrophobicContact CB-CB 4.17Å; W499-A503 HydrophobicContact CB-CB 4.39Å; W499-A503 HydrophobicContact CE3-CB 3.78Å; A500-A503 WeakPolarHBondContact O-CB 3.47Å; A500-A503 PolarHBondContact O-N 2.86Å; A500-A503 VanDerWaalsContact O-N 3.13Å; A503-V505 PolarHBondContact O-N 3.33Å
504	G	81.1	Confident	90.2	Very high	78 Å²	78	46.7 Å²	46.7	80%	0.804	30%	0.304	S	S	*	.			trans	74.8	-3	176.2	0	0	0	0	0	115.8	N502	N502-G504 PolarHBondContact O-N 3.22Å
505	V	86.9	Confident	90	Very high	54 Å²	54	46.3 Å²	46.3	33%	0.327	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-82.1	147.4	179.6	-178.8	0	0	0	0	111	W499 A503 I514	W499-V505 HydrophobicContact CD2-CB 3.99Å; W499-V505 HydrophobicContact CD2-CG1 4.23Å; W499-V505 HydrophobicContact CD2-CG2 3.75Å; W499-V505 HydrophobicContact CE3-CB 4.34Å; W499-V505 HydrophobicContact CE3-CG2 3.68Å; W499-V505 HydrophobicContact CG-CB 4.19Å; W499-V505 HydrophobicContact CG-CG1 4.33Å; W499-V505 HydrophobicContact CG-CG2 4.46Å; W499-V505 HydrophobicContact CH2-CG2 3.92Å; W499-V505 HydrophobicContact CZ2-CG1 4.44Å; W499-V505 HydrophobicContact CZ2-CG2 3.98Å; W499-V505 HydrophobicContact CZ3-CG2 3.77Å; A503-V505 PolarHBondContact O-N 3.33Å; V505-I514 WeakPolarHBondContact O-CD1 3.21Å
506	T	86.8	Confident	89.6	Confident	122 Å²	122	52 Å²	52	75%	0.748	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-92.4	136.9	172.7	-61.9	0	0	0	0	110.2	S508	T506-S508 PolarHBondContact O-N 2.87Å
507	A	86.4	Confident	89.1	Confident	46 Å²	46	58.6 Å²	58.6	38%	0.38	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-65.2	128.6	-176.9	0	0	0	0	0	111.6	I514	A507-I514 HydrophobicContact CB-CD1 3.77Å; A507-I514 HydrophobicContact CB-CG1 3.89Å
508	S	89.3	Confident	88.6	Confident	64 Å²	64	61.5 Å²	61.5	45%	0.448	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-131.7	72.6	175.2	-179.8	0	0	0	0	110.4	T506 T511 D512	T506-S508 PolarHBondContact O-N 2.87Å; S508-T511 PolarHBondContact O-N 2.87Å; S508-T511 VanDerWaalsContact O-N 3.09Å; S508-T511 PolarHBondContact O-OG1 2.95Å; S508-T511 VanDerWaalsContact O-OG1 3.1Å; S508-D512 CarbonylContact C-O 3.58Å; S508-D512 PolarHBondContact N-O 3.03Å; S508-D512 PolarHBondContact O-N 3.43Å
509	P	87.2	Confident	88.1	Confident	91 Å²	91	67 Å²	67	59%	0.591	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	139.7	175.7	-19.6	33.2	0	0	0	110.9	L513	P509-L513 HydrophobicContact CB-CD2 4.04Å; P509-L513 HydrophobicContact CG-CD2 4.22Å
510	P	85.4	Confident	87.7	Confident	64 Å²	64	66.5 Å²	66.5	42%	0.416	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.4	-10.3	11.6	33.8	-36.1	0	0	0	116.1	Y488	Y488-P510 HydrophobicContact CE2-CB 3.88Å; Y488-P510 WeakPolarHBondContact CE2-O 3.44Å; Y488-P510 PolarHBondContact OH-O 2.78Å
511	T	90.1	Very high	87.5	Confident	52 Å²	52	66.7 Å²	66.7	32%	0.319	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-38.3	-173.1	53	0	0	0	0	113.4	V496 T497 S508	V496-T511 CarbonylContact C-O 3.6Å; V496-T511 WeakPolarHBondContact CA-O 3.49Å; T497-T511 PolarHBondContact N-O 2.89Å; S508-T511 PolarHBondContact O-N 2.87Å; S508-T511 VanDerWaalsContact O-N 3.09Å; S508-T511 PolarHBondContact O-OG1 2.95Å; S508-T511 VanDerWaalsContact O-OG1 3.1Å
512	D	92.7	Very high	87.1	Confident	36 Å²	36	65.6 Å²	65.6	19%	0.193	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	103	-170.4	-63.5	-85.2	0	0	0	110.7	W499 S508	W499-D512 PolarHBondContact NE1-OD1 2.98Å; S508-D512 CarbonylContact C-O 3.58Å; S508-D512 PolarHBondContact N-O 3.03Å; S508-D512 PolarHBondContact O-N 3.43Å
513	L	93.1	Very high	86.7	Confident	15 Å²	15	65.2 Å²	65.2	8%	0.079	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141	179.6	-55.8	-178.6	0	0	0	109.4	Y482 Y484 Y488 V496 T497 I498 W499 P509	Y482-L513 HydrophobicContact CE1-CD1 4.48Å; Y484-L513 HydrophobicContact CD1-CD1 4.29Å; Y484-L513 HydrophobicContact CE1-CD1 4.05Å; Y488-L513 HydrophobicContact CD2-CD1 4.28Å; Y488-L513 HydrophobicContact CE2-CD1 3.87Å; Y488-L513 HydrophobicContact CE2-CD2 4.06Å; Y488-L513 HydrophobicContact CE2-CG 4.38Å; V496-L513 HydrophobicContact CG2-CD1 3.77Å; V496-L513 HydrophobicContact CG2-CG 3.88Å; T497-L513 PolarHBondContact O-N 3.38Å; I498-L513 CarbonylContact C-O 3.53Å; I498-L513 WeakPolarHBondContact CA-O 3.37Å; I498-L513 HydrophobicContact CG1-CB 4.44Å; I498-L513 HydrophobicContact CG1-CD1 4.46Å; I498-L513 HydrophobicContact CG2-CB 4.44Å; W499-L513 PolarHBondContact N-O 3.17Å; P509-L513 HydrophobicContact CB-CD2 4.04Å; P509-L513 HydrophobicContact CG-CD2 4.22Å
514	I	91.8	Very high	86.1	Confident	42 Å²	42	65.4 Å²	65.4	22%	0.215	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.3	174.9	-60.9	-179.4	0	0	0	109.9	W499 V505 A507 K516	W499-I514 HydrophobicContact CB-CG1 4.34Å; W499-I514 WeakPolarHBondContact O-CA 3.46Å; V505-I514 WeakPolarHBondContact O-CD1 3.21Å; A507-I514 HydrophobicContact CB-CD1 3.77Å; A507-I514 HydrophobicContact CB-CG1 3.89Å; I514-K516 VanDerWaalsContact C-N 3.32Å; I514-K516 HydrophobicContact CG2-CG 4.16Å; I514-K516 PolarHBondContact O-N 3.31Å
515	W	91.4	Very high	85.5	Confident	24 Å²	24	69.3 Å²	69.3	9%	0.091	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	78.2	170.6	-168.7	13.3	0	0	0	110.9	V480 S481 Y482 W499 N517 Q518 W521	V480-W515 HydrophobicContact CB-CH2 3.75Å; V480-W515 HydrophobicContact CG2-CH2 3.68Å; V480-W515 HydrophobicContact CG2-CZ3 3.99Å; S481-W515 VanDerWaalsContact C-CZ2 3.48Å; S481-W515 WeakPolarHBondContact O-CZ2 3.24Å; Y482-W515 HydrophobicContact CD2-CB 3.85Å; Y482-W515 AromaticContact CD2-CD1 3.63Å; Y482-W515 AromaticContact CD2-CD2 3.97Å; Y482-W515 HydrophobicContact CD2-CD2 3.97Å; Y482-W515 AromaticContact CD2-CG 3.56Å; Y482-W515 HydrophobicContact CD2-CG 3.56Å; Y482-W515 HydrophobicContact CE2-CB 4.04Å; Y482-W515 HydrophobicContact CE2-CG 4.14Å; W499-W515 PolarHBondContact O-N 3.42Å; W515-N517 PolarHBondContact O-N 2.89Å; W515-Q518 HydrophobicContact CD2-CB 3.68Å; W515-Q518 HydrophobicContact CD2-CG 3.81Å; W515-Q518 HydrophobicContact CE3-CB 3.69Å; W515-Q518 HydrophobicContact CE3-CG 3.93Å; W515-Q518 HydrophobicContact CG-CB 4.22Å; W515-Q518 HydrophobicContact CH2-CB 4.36Å; W515-Q518 HydrophobicContact CH2-CG 3.7Å; W515-Q518 HydrophobicContact CZ2-CB 4.3Å; W515-Q518 HydrophobicContact CZ2-CG 3.49Å; W515-Q518 VanDerWaalsContact CZ2-CG 3.49Å; W515-Q518 HydrophobicContact CZ3-CB 4.03Å; W515-Q518 HydrophobicContact CZ3-CG 3.87Å; W515-Q518 PolarHBondContact O-N 3.13Å; W515-Q518 VanDerWaalsContact O-N 3.08Å; W515-W521 HydrophobicContact CD2-CH2 4.49Å; W515-W521 HydrophobicContact CE3-CD2 4.11Å; W515-W521 AromaticContact CE3-CE2 3.87Å; W515-W521 HydrophobicContact CE3-CE3 4.09Å; W515-W521 AromaticContact CE3-CH2 3.57Å; W515-W521 HydrophobicContact CE3-CH2 3.57Å; W515-W521 AromaticContact CE3-CZ2 3.59Å; W515-W521 HydrophobicContact CE3-CZ2 3.59Å; W515-W521 AromaticContact CE3-CZ3 3.84Å; W515-W521 HydrophobicContact CE3-CZ3 3.84Å; W515-W521 HydrophobicContact CH2-CH2 4.27Å; W515-W521 HydrophobicContact CH2-CZ3 4.04Å; W515-W521 HydrophobicContact CZ3-CD2 4.02Å; W515-W521 AromaticContact CZ3-CE3 3.55Å; W515-W521 HydrophobicContact CZ3-CE3 3.55Å; W515-W521 AromaticContact CZ3-CH2 3.44Å; W515-W521 HydrophobicContact CZ3-CH2 3.44Å; W515-W521 VanDerWaalsContact CZ3-CH2 3.44Å; W515-W521 AromaticContact CZ3-CZ2 3.93Å; W515-W521 HydrophobicContact CZ3-CZ2 3.93Å; W515-W521 AromaticContact CZ3-CZ3 3.25Å; W515-W521 HydrophobicContact CZ3-CZ3 3.25Å
516	K	86.1	Confident	85	Confident	168 Å²	168	71.3 Å²	71.3	73%	0.73	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-15.2	-174.3	-60.8	-174.9	179.7	-176.1	0	116	I514	I514-K516 VanDerWaalsContact C-N 3.32Å; I514-K516 HydrophobicContact CG2-CG 4.16Å; I514-K516 PolarHBondContact O-N 3.31Å
517	N	83.9	Confident	85	Confident	139 Å²	139	66.1 Å²	66.1	74%	0.743	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-0.4	-175.4	-62.6	17.1	0	0	0	113.3	W515	W515-N517 PolarHBondContact O-N 2.89Å
518	Q	85.4	Confident	85.1	Confident	77 Å²	77	67.4 Å²	67.4	36%	0.36	37%	0.374	S	S	.	.			trans	-135.1	129.7	175.3	-74.3	-63.6	-8.9	0	0	111.1	A501 W515	A501-Q518 VanDerWaalsContact CB-O 3.3Å; A501-Q518 WeakPolarHBondContact CB-O 3.31Å; A501-Q518 PolarHBondContact N-O 3.31Å; W515-Q518 HydrophobicContact CD2-CB 3.68Å; W515-Q518 HydrophobicContact CD2-CG 3.81Å; W515-Q518 HydrophobicContact CE3-CB 3.69Å; W515-Q518 HydrophobicContact CE3-CG 3.93Å; W515-Q518 HydrophobicContact CG-CB 4.22Å; W515-Q518 HydrophobicContact CH2-CB 4.36Å; W515-Q518 HydrophobicContact CH2-CG 3.7Å; W515-Q518 HydrophobicContact CZ2-CB 4.3Å; W515-Q518 HydrophobicContact CZ2-CG 3.49Å; W515-Q518 VanDerWaalsContact CZ2-CG 3.49Å; W515-Q518 HydrophobicContact CZ3-CB 4.03Å; W515-Q518 HydrophobicContact CZ3-CG 3.87Å; W515-Q518 PolarHBondContact O-N 3.13Å; W515-Q518 VanDerWaalsContact O-N 3.08Å
519	N	85.4	Confident	85.3	Confident	114 Å²	114	64.4 Å²	64.4	61%	0.61	35%	0.352	S	S	*	.	S	Bend	trans	-73.8	-29.6	-176.9	-73.7	-7.9	0	0	0	112.6	A500 N502	A500-N519 WeakPolarHBondContact CB-O 3.22Å; N502-N519 WeakPolarHBondContact CB-O 3.47Å; N502-N519 PolarHBondContact N-O 2.89Å; N502-N519 VanDerWaalsContact N-O 3.15Å; N502-N519 PolarHBondContact ND2-O 3.3Å; N502-N519 PolarHBondContact OD1-O 2.84Å
520	S	86.6	Confident	85.6	Confident	39 Å²	39	60.1 Å²	60.1	27%	0.273	33%	0.325	S	S	.	.			trans	-147.8	153.3	177.9	179	0	0	0	0	110.3	G451 A500 G522	G451-S520 PolarHBondContact O-OG 2.82Å; A500-S520 VanDerWaalsContact CB-CA 3.45Å; S520-G522 PolarHBondContact O-N 2.96Å; S520-G522 PolarHBondContact OG-N 3.46Å
521	W	86.5	Confident	86	Confident	5 Å²	5	57.1 Å²	57.1	2%	0.019	31%	0.305	C	S	.	.			trans	-70	-12.8	161.5	-73.5	102.3	0	0	0	112.4	G451 I454 M471 R473 I498 W515	G451-W521 WeakPolarHBondContact O-CB 3.34Å; G451-W521 PolarHBondContact O-N 3.31Å; I454-W521 HydrophobicContact CD1-CD2 3.5Å; I454-W521 VanDerWaalsContact CD1-CD2 3.5Å; I454-W521 HydrophobicContact CD1-CE3 3.36Å; I454-W521 HydrophobicContact CD1-CG 4.1Å; I454-W521 HydrophobicContact CD1-CH2 4.09Å; I454-W521 HydrophobicContact CD1-CZ2 4.18Å; I454-W521 HydrophobicContact CD1-CZ3 3.67Å; I454-W521 HydrophobicContact CG1-CD2 3.96Å; I454-W521 HydrophobicContact CG1-CE3 4.33Å; I454-W521 HydrophobicContact CG1-CG 4.14Å; M471-W521 HydrophobicContact CE-CH2 3.39Å; M471-W521 HydrophobicContact CE-CZ2 3.55Å; M471-W521 HydrophobicContact CE-CZ3 4.25Å; R473-W521 HydrophobicContact CB-CE3 3.95Å; R473-W521 HydrophobicContact CB-CZ3 4.04Å; R473-W521 WeakPolarHBondContact CD-O 3.33Å; R473-W521 HydrophobicContact CG-CE3 4.42Å; R473-W521 PolarHBondContact NH1-O 2.89Å; I498-W521 HydrophobicContact CB-CZ2 4.14Å; I498-W521 HydrophobicContact CG2-CZ2 3.77Å; I498-W521 PolarHBondContact O-NE1 2.99Å; W515-W521 HydrophobicContact CD2-CH2 4.49Å; W515-W521 HydrophobicContact CE3-CD2 4.11Å; W515-W521 AromaticContact CE3-CE2 3.87Å; W515-W521 HydrophobicContact CE3-CE3 4.09Å; W515-W521 AromaticContact CE3-CH2 3.57Å; W515-W521 HydrophobicContact CE3-CH2 3.57Å; W515-W521 AromaticContact CE3-CZ2 3.59Å; W515-W521 HydrophobicContact CE3-CZ2 3.59Å; W515-W521 AromaticContact CE3-CZ3 3.84Å; W515-W521 HydrophobicContact CE3-CZ3 3.84Å; W515-W521 HydrophobicContact CH2-CH2 4.27Å; W515-W521 HydrophobicContact CH2-CZ3 4.04Å; W515-W521 HydrophobicContact CZ3-CD2 4.02Å; W515-W521 AromaticContact CZ3-CE3 3.55Å; W515-W521 HydrophobicContact CZ3-CE3 3.55Å; W515-W521 AromaticContact CZ3-CH2 3.44Å; W515-W521 HydrophobicContact CZ3-CH2 3.44Å; W515-W521 VanDerWaalsContact CZ3-CH2 3.44Å; W515-W521 AromaticContact CZ3-CZ2 3.93Å; W515-W521 HydrophobicContact CZ3-CZ2 3.93Å; W515-W521 AromaticContact CZ3-CZ3 3.25Å; W515-W521 HydrophobicContact CZ3-CZ3 3.25Å
522	G	81.3	Confident	86.2	Confident	22 Å²	22	56.7 Å²	56.7	23%	0.227	30%	0.299	C	S	.	.			trans	80.9	154.2	177.7	0	0	0	0	0	113.5	S520	S520-G522 PolarHBondContact O-N 2.96Å; S520-G522 PolarHBondContact OG-N 3.46Å
523	T	79.4	Confident	86.2	Confident	91 Å²	91	56.1 Å²	56.1	56%	0.558	30%	0.296	S	S	*	.			trans	-115.4	155.1	178.9	56.9	0	0	0	0	109.9	V449 D450	V449-T523 VanDerWaalsContact O-CG2 3.25Å; V449-T523 WeakPolarHBondContact O-CG2 3.13Å; D450-T523 VanDerWaalsContact C-CG2 3.4Å
524	G	71	Confident	86	Confident	31 Å²	31	59.1 Å²	59.1	32%	0.32	32%	0.318	S	S	.	.			trans	170.1	167.9	-179.1	0	0	0	0	0	112.6
525	E	68.5	Low	85.7	Confident	159 Å²	159	64.7 Å²	64.7	74%	0.743	34%	0.343	S	S	*	.	S	Bend	trans	-78.8	-21.6	-171.8	-64	174.1	156.7	0	0	113.4	F546	E525-F546 HydrophobicContact CB-CD2 4.36Å; E525-F546 VanDerWaalsContact O-CD2 3.3Å; E525-F546 WeakPolarHBondContact O-CD2 3.46Å
526	D	76.8	Confident	85.4	Confident	97 Å²	97	65.3 Å²	65.3	52%	0.519	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	93.2	170.3	-84.3	-56.5	0	0	0	110.3
527	V	85.9	Confident	85.5	Confident	13 Å²	13	62.6 Å²	62.6	8%	0.079	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.8	172.3	-170.3	0	0	0	0	109.2	I447 R473 I475 V529 S543 T544	I447-V527 HydrophobicContact CG2-CG1 4.17Å; R473-V527 HydrophobicContact CG-CG1 4.17Å; I475-V527 HydrophobicContact CD1-CG1 4.22Å; I475-V527 HydrophobicContact CD1-CG2 3.9Å; I475-V527 HydrophobicContact CG1-CB 4.3Å; I475-V527 HydrophobicContact CG1-CG1 4.05Å; I475-V527 HydrophobicContact CG1-CG2 4.05Å; V527-V529 HydrophobicContact CG1-CG2 4.44Å; V527-S543 VanDerWaalsContact O-CA 3.23Å; V527-S543 WeakPolarHBondContact O-CA 3.4Å; V527-T544 PolarHBondContact O-N 3.32Å
528	K	89.9	Confident	85.9	Confident	73 Å²	73	60.2 Å²	60.2	32%	0.317	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.5	174.5	173.3	166.6	169.5	157.6	0	111	K474 I530 Q541 R542	K474-K528 PolarHBondContact N-O 3.02Å; K474-K528 PolarHBondContact O-N 3.43Å; K528-I530 HydrophobicContact CG-CG1 4.3Å; K528-Q541 HydrophobicContact CG-CG 4.33Å; K528-R542 CarbonylContact C-O 3.6Å; K528-R542 WeakPolarHBondContact CA-O 3.4Å
529	V	92.6	Very high	86.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.6	175.2	-179.4	0	0	0	0	109.4	I444 I447 I454 M471 I472 R473 V527 Q541 R542	I444-V529 HydrophobicContact CD1-CB 4.17Å; I444-V529 HydrophobicContact CD1-CG1 3.82Å; I444-V529 HydrophobicContact CG1-CG1 4.47Å; I447-V529 HydrophobicContact CD1-CB 3.97Å; I447-V529 HydrophobicContact CD1-CG2 3.55Å; I447-V529 HydrophobicContact CG1-CG2 3.97Å; I454-V529 HydrophobicContact CD1-CG1 4.04Å; I454-V529 HydrophobicContact CD1-CG2 3.63Å; I454-V529 HydrophobicContact CG1-CG2 4.47Å; I454-V529 HydrophobicContact CG2-CG1 4.41Å; M471-V529 HydrophobicContact CG-CG1 3.88Å; M471-V529 HydrophobicContact SD-CG1 4.22Å; I472-V529 CarbonylContact O-C 3.57Å; I472-V529 WeakPolarHBondContact O-CA 3.25Å; R473-V529 HydrophobicContact CB-CG2 4.24Å; R473-V529 HydrophobicContact CG-CG2 4.06Å; V527-V529 HydrophobicContact CG1-CG2 4.44Å; V529-Q541 CarbonylContact O-C 3.57Å; V529-Q541 VanDerWaalsContact O-CA 3.29Å; V529-Q541 WeakPolarHBondContact O-CA 3.42Å; V529-R542 PolarHBondContact N-O 3.04Å; V529-R542 PolarHBondContact O-N 2.89Å
530	I	93.4	Very high	86.4	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.2	179.4	-53.4	171.8	0	0	0	107.7	M471 I472 K474 K528 K532 E538 A540 Q541	M471-I530 CarbonylContact C-O 3.6Å; M471-I530 WeakPolarHBondContact CA-O 3.46Å; I472-I530 PolarHBondContact N-O 3.32Å; I472-I530 PolarHBondContact O-N 3.29Å; K474-I530 HydrophobicContact CD-CD1 4.47Å; K528-I530 HydrophobicContact CG-CG1 4.3Å; I530-K532 HydrophobicContact CG2-CG 4.38Å; I530-E538 HydrophobicContact CG2-CB 4.01Å; I530-E538 VanDerWaalsContact CG2-CD 3.48Å; I530-E538 HydrophobicContact CG2-CG 3.67Å; I530-E538 WeakPolarHBondContact CG2-OE2 3.43Å; I530-A540 CarbonylContact C-O 3.56Å; I530-A540 WeakPolarHBondContact CA-O 3.25Å; I530-Q541 HydrophobicContact CG1-CG 4.39Å
531	L	95	Very high	86.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.1	170.5	-175.2	64	0	0	0	108.9	V442 L456 M466 W469 M471 Y484 V539 A540	V442-L531 HydrophobicContact CB-CD2 4.17Å; V442-L531 HydrophobicContact CG1-CD2 3.76Å; L456-L531 HydrophobicContact CD1-CD1 3.96Å; L456-L531 HydrophobicContact CD1-CD2 3.89Å; M466-L531 HydrophobicContact CE-CD1 4.44Å; M466-L531 HydrophobicContact CE-CD2 4.31Å; W469-L531 HydrophobicContact CE3-CD1 4.21Å; W469-L531 HydrophobicContact CE3-CD2 4.04Å; W469-L531 HydrophobicContact CE3-CG 3.98Å; W469-L531 HydrophobicContact CZ3-CD2 3.9Å; W469-L531 HydrophobicContact CZ3-CG 4.24Å; M471-L531 HydrophobicContact CB-CD1 4.09Å; Y484-L531 HydrophobicContact CE2-CD1 4.15Å; L531-V539 HydrophobicContact CB-CG2 4.33Å; L531-V539 HydrophobicContact CD2-CG2 4.24Å; L531-V539 HydrophobicContact CG-CG2 4Å; L531-V539 WeakPolarHBondContact O-CG2 3.29Å; L531-V539 PolarHBondContact O-N 2.8Å; L531-A540 HydrophobicContact CB-CB 4.13Å; L531-A540 HydrophobicContact CD2-CB 4.46Å; L531-A540 PolarHBondContact N-O 3.45Å; L531-A540 PolarHBondContact O-N 3.05Å
532	K	93.4	Very high	86.9	Confident	43 Å²	43	54.7 Å²	54.7	19%	0.187	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.3	175.3	-74.3	178.2	179.2	-76.4	0	111.8	W469 E470 I472 I530 G536 E537 E538	W469-K532 WeakPolarHBondContact CA-O 3.38Å; W469-K532 WeakPolarHBondContact CB-O 3.45Å; E470-K532 PolarHBondContact N-O 2.94Å; E470-K532 PolarHBondContact O-N 3.24Å; I472-K532 HydrophobicContact CD1-CD 3.84Å; I530-K532 HydrophobicContact CG2-CG 4.38Å; K532-G536 WeakPolarHBondContact CD-O 3.34Å; K532-G536 PolarHBondContact NZ-O 3.46Å; K532-E537 WeakPolarHBondContact CA-O 3.37Å; K532-E538 HydrophobicContact CD-CG 4.48Å; K532-E538 WeakPolarHBondContact CE-OE1 3.49Å; K532-E538 HydrophobicContact CG-CG 3.95Å; K532-E538 IonicContact NZ-OE1 2.76Å; K532-E538 PolarHBondContact NZ-OE1 2.94Å
533	N	91.6	Very high	87.1	Confident	24 Å²	24	54.5 Å²	54.5	13%	0.128	29%	0.292	C	S	.	.			trans	-75.2	178.4	171.3	72.6	9.3	0	0	0	111.6	W469 Q535 G536 E537 V539	W469-N533 HydrophobicContact CD2-CB 4.26Å; W469-N533 HydrophobicContact CZ2-CB 4.17Å; N533-Q535 PolarHBondContact O-N 2.89Å; N533-Q535 VanDerWaalsContact O-N 3.14Å; N533-Q535 WeakPolarHBondContact OD1-CA 3.33Å; N533-Q535 WeakPolarHBondContact OD1-CB 3.48Å; N533-Q535 PolarHBondContact OD1-N 3.09Å; N533-G536 PolarHBondContact O-N 3.01Å; N533-G536 PolarHBondContact OD1-N 2.72Å; N533-E537 PolarHBondContact N-O 3.03Å; N533-E537 PolarHBondContact ND2-OE2 3.2Å; N533-E537 PolarHBondContact OD1-N 3.41Å; N533-V539 HydrophobicContact CB-CG1 3.98Å; N533-V539 HydrophobicContact CB-CG2 4.49Å
534	S	89.3	Confident	87.3	Confident	78 Å²	78	50.6 Å²	50.6	55%	0.545	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.3	178.5	50.1	0	0	0	0	115.2
535	Q	86.4	Confident	87.5	Confident	160 Å²	160	51.7 Å²	51.7	75%	0.748	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-6.2	172.8	-63.8	180	-14.6	0	0	112.5	N533 E537	N533-Q535 PolarHBondContact O-N 2.89Å; N533-Q535 VanDerWaalsContact O-N 3.14Å; N533-Q535 WeakPolarHBondContact OD1-CA 3.33Å; N533-Q535 WeakPolarHBondContact OD1-CB 3.48Å; N533-Q535 PolarHBondContact OD1-N 3.09Å; Q535-E537 HydrophobicContact CB-CG 4.41Å
536	G	84.4	Confident	87.5	Confident	36 Å²	36	48.7 Å²	48.7	37%	0.371	25%	0.253	S	S	.	.	S	Bend	trans	93.5	-0.2	178.6	0	0	0	0	0	115.2	K532 N533	K532-G536 WeakPolarHBondContact CD-O 3.34Å; K532-G536 PolarHBondContact NZ-O 3.46Å; N533-G536 PolarHBondContact O-N 3.01Å; N533-G536 PolarHBondContact OD1-N 2.72Å
537	E	88.9	Confident	86.3	Confident	111 Å²	111	51.1 Å²	51.1	52%	0.519	26%	0.259	S	S	.	.			trans	-73.3	144.5	179.5	-51.5	177.3	123.9	0	0	111.3	K532 N533 Q535 V539	K532-E537 WeakPolarHBondContact CA-O 3.37Å; N533-E537 PolarHBondContact N-O 3.03Å; N533-E537 PolarHBondContact ND2-OE2 3.2Å; N533-E537 PolarHBondContact OD1-N 3.41Å; Q535-E537 HydrophobicContact CB-CG 4.41Å; E537-V539 PolarHBondContact O-N 2.99Å
538	E	91.8	Very high	84.2	Confident	90 Å²	90	56.1 Å²	56.1	42%	0.421	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	104.6	-177.4	-59.2	-169.2	-178.6	0	0	110.5	I530 K532	I530-E538 HydrophobicContact CG2-CB 4.01Å; I530-E538 VanDerWaalsContact CG2-CD 3.48Å; I530-E538 HydrophobicContact CG2-CG 3.67Å; I530-E538 WeakPolarHBondContact CG2-OE2 3.43Å; K532-E538 HydrophobicContact CD-CG 4.48Å; K532-E538 WeakPolarHBondContact CE-OE1 3.49Å; K532-E538 HydrophobicContact CG-CG 3.95Å; K532-E538 IonicContact NZ-OE1 2.76Å; K532-E538 PolarHBondContact NZ-OE1 2.94Å
539	V	91	Very high	81.7	Confident	19 Å²	19	57.6 Å²	57.6	12%	0.115	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-16.9	-172.4	-67.9	0	0	0	0	113.7	A438 T439 W469 L531 N533 E537	A438-V539 WeakPolarHBondContact CA-O 3.23Å; T439-V539 PolarHBondContact N-O 2.86Å; W469-V539 HydrophobicContact CE3-CG2 4.1Å; W469-V539 HydrophobicContact CH2-CG2 4.12Å; W469-V539 HydrophobicContact CZ3-CG2 3.58Å; L531-V539 HydrophobicContact CB-CG2 4.33Å; L531-V539 HydrophobicContact CD2-CG2 4.24Å; L531-V539 HydrophobicContact CG-CG2 4Å; L531-V539 WeakPolarHBondContact O-CG2 3.29Å; L531-V539 PolarHBondContact O-N 2.8Å; N533-V539 HydrophobicContact CB-CG1 3.98Å; N533-V539 HydrophobicContact CB-CG2 4.49Å; E537-V539 PolarHBondContact O-N 2.99Å
540	A	91.1	Very high	79	Confident	3 Å²	3	64.2 Å²	64.2	3%	0.025	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	151.9	164.8	0	0	0	0	0	111.9	S437 A438 V442 I444 I530 L531	S437-A540 CarbonylContact O-C 3.59Å; S437-A540 WeakPolarHBondContact O-CA 3.44Å; A438-A540 HydrophobicContact CB-CB 4.07Å; V442-A540 WeakPolarHBondContact O-CB 3.5Å; I444-A540 HydrophobicContact CD1-CB 4.23Å; I444-A540 HydrophobicContact CG1-CB 4.29Å; I530-A540 CarbonylContact C-O 3.56Å; I530-A540 WeakPolarHBondContact CA-O 3.25Å; L531-A540 HydrophobicContact CB-CB 4.13Å; L531-A540 HydrophobicContact CD2-CB 4.46Å; L531-A540 PolarHBondContact N-O 3.45Å; L531-A540 PolarHBondContact O-N 3.05Å
541	Q	91.7	Very high	76.2	Confident	50 Å²	50	69.9 Å²	69.9	23%	0.234	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	145.7	174	-175.7	-169	-70.7	0	0	110.1	A436 S437 K528 V529 I530	A436-Q541 CarbonylContact C-O 3.57Å; A436-Q541 WeakPolarHBondContact CA-O 3.4Å; S437-Q541 PolarHBondContact N-O 3.06Å; S437-Q541 PolarHBondContact O-N 3.05Å; S437-Q541 VanDerWaalsContact O-O 3.06Å; K528-Q541 HydrophobicContact CG-CG 4.33Å; V529-Q541 CarbonylContact O-C 3.57Å; V529-Q541 VanDerWaalsContact O-CA 3.29Å; V529-Q541 WeakPolarHBondContact O-CA 3.42Å; I530-Q541 HydrophobicContact CG1-CG 4.39Å
542	R	90.8	Very high	73.3	Confident	47 Å²	47	78.6 Å²	78.6	18%	0.177	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	141.7	166.1	-177.6	170.8	-179.2	152.1	-8.5	111.1	S435 A436 I444 E445 I447 K528 V529	S435-R542 CarbonylContact O-C 3.5Å; S435-R542 VanDerWaalsContact O-CA 3.32Å; S435-R542 WeakPolarHBondContact O-CA 3.33Å; S435-R542 WeakPolarHBondContact O-CG 3.34Å; A436-R542 HydrophobicContact CB-CB 4.21Å; A436-R542 HydrophobicContact CB-CG 3.98Å; I444-R542 HydrophobicContact CB-CB 3.97Å; I444-R542 HydrophobicContact CD1-CB 4.02Å; I444-R542 HydrophobicContact CG2-CB 3.98Å; I444-R542 WeakPolarHBondContact O-CD 3.14Å; I444-R542 PolarHBondContact O-NH1 3.43Å; E445-R542 PolarHBondContact O-NH1 3.08Å; I447-R542 HydrophobicContact CD1-CB 3.93Å; I447-R542 HydrophobicContact CD1-CG 3.72Å; I447-R542 HydrophobicContact CG1-CG 4.4Å; K528-R542 CarbonylContact C-O 3.6Å; K528-R542 WeakPolarHBondContact CA-O 3.4Å; V529-R542 PolarHBondContact N-O 3.04Å; V529-R542 PolarHBondContact O-N 2.89Å
543	S	86.8	Confident	70.3	Confident	17 Å²	17	86.1 Å²	86.1	12%	0.119	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.7	180	22.6	0	0	0	0	112	S435 V527	S435-S543 PolarHBondContact N-O 2.72Å; S435-S543 PolarHBondContact O-N 3.19Å; S435-S543 PolarHBondContact OG-OG 3.23Å; V527-S543 VanDerWaalsContact O-CA 3.23Å; V527-S543 WeakPolarHBondContact O-CA 3.4Å
544	T	82.4	Confident	67.6	Low	9 Å²	9	94.1 Å²	94.1	6%	0.055	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.1	177.9	65.6	0	0	0	0	109.1	H434 I447 V527	H434-T544 VanDerWaalsContact ND1-CG2 3.31Å; H434-T544 WeakPolarHBondContact ND1-CG2 3.37Å; I447-T544 HydrophobicContact CD1-CG2 4.44Å; V527-T544 PolarHBondContact O-N 3.32Å
545	V	75.8	Confident	64.9	Low	55 Å²	55	99.8 Å²	99.8	33%	0.333	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.4	-174.4	-170.4	0	0	0	0	109.5	S433	S433-V545 PolarHBondContact N-O 2.74Å; S433-V545 PolarHBondContact O-N 3.07Å; S433-V545 PolarHBondContact OG-O 3.27Å
546	F	68.4	Low	62.4	Low	96 Å²	96	101.1 Å²	101.1	42%	0.421	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	143.9	174.6	-59.1	-96.3	0	0	0	110.1	I432 E525	I432-F546 HydrophobicContact CD1-CD1 4.13Å; I432-F546 HydrophobicContact CD1-CE1 3.87Å; I432-F546 HydrophobicContact CG1-CD1 3.9Å; I432-F546 HydrophobicContact CG1-CE1 4.14Å; I432-F546 HydrophobicContact CG2-CD1 4.29Å; I432-F546 HydrophobicContact CG2-CE1 4.27Å; E525-F546 HydrophobicContact CB-CD2 4.36Å; E525-F546 VanDerWaalsContact O-CD2 3.3Å; E525-F546 WeakPolarHBondContact O-CD2 3.46Å
547	K	52.1	Low	59.9	Low	148 Å²	148	107.8 Å²	107.8	64%	0.643	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	110.3	-179.3	-165.3	175.8	-176.1	-178.5	0	111.8
548	T	40.8	Very low	57.2	Low	117 Å²	117	111.6 Å²	111.6	72%	0.718	55%	0.553	S	S	*	*			trans	-91.8	132.6	174.2	-54.6	0	0	0	0	109.8
549	T	37.4	Very low	54.5	Low	105 Å²	105	116.9 Å²	116.9	64%	0.644	58%	0.577	S	S	*	*			trans	-106.6	115.4	176.1	48.7	0	0	0	0	110.5
550	I	35.6	Very low	51.7	Low	139 Å²	139	120.9 Å²	120.9	71%	0.713	61%	0.612	S	S	*	*			trans	-98.8	133.2	160.5	-59.7	174.2	0	0	0	106.3	E552	I550-E552 HydrophobicContact CG2-CG 4.46Å
551	P	36.6	Very low	49	Very low	120 Å²	120	125.8 Å²	125.8	78%	0.779	65%	0.653	S	S	*	*			trans	-84.9	119.5	170.3	32.6	-29.1	0	0	0	109.8
552	E	32.6	Very low	46.2	Very low	184 Å²	184	126.8 Å²	126.8	86%	0.86	68%	0.677	S	S	*	*			trans	-124	162.9	159.5	-72.3	-174	151.8	0	0	108.3	I550	I550-E552 HydrophobicContact CG2-CG 4.46Å
553	E	31.5	Very low	43.3	Very low	201 Å²	201	131 Å²	131	94%	0.939	71%	0.707	S	S	*	*			trans	-90.8	172.7	-146.8	-65.6	169.2	130.8	0	0	114.8
554	E	34.9	Very low	40.9	Very low	192 Å²	192	136.2 Å²	136.2	90%	0.897	74%	0.738	S	S	*	*			trans	-77.8	128	175	-57.6	171.9	135.8	0	0	110.4
555	E	32.1	Very low	38.4	Very low	197 Å²	197	142.3 Å²	142.3	92%	0.921	78%	0.775	S	S	*	*			trans	-137.6	163.3	154.2	-76.9	-159	146.1	0	0	110
556	E	33.4	Very low	36.4	Very low	187 Å²	187	147.4 Å²	147.4	87%	0.874	80%	0.795	S	S	*	*			trans	-105.7	-157.2	-152.3	-54.6	-177.9	108.2	0	0	114.6
557	E	32	Very low	34.8	Very low	176 Å²	176	151 Å²	151	82%	0.822	81%	0.814	S	S	*	*			trans	71.6	103.1	170.2	-55.3	-169.5	162.1	0	0	116
558	E	32.9	Very low	33.9	Very low	192 Å²	192	151 Å²	151	90%	0.897	82%	0.816	S	S	*	*				95.8	145.9	67.5	-85.7	-146	147.8	0	0	113.6
559	E	34.9	Very low	33.6	Very low	200 Å²	200	150.4 Å²	150.4	94%	0.935	81%	0.807	S	S	*	*			trans	-84.7	136.2	-179.7	-64.2	-170.2	141.4	0	0	112.4
560	A	32.9	Very low	33.3	Very low	103 Å²	103	153.8 Å²	153.8	85%	0.851	81%	0.814	S	S	*	*			trans	-151.9	145.4	150.5	0	0	0	0	0	112.5
561	A	33.7	Very low	33.3	Very low	106 Å²	106	153.4 Å²	153.4	88%	0.876	81%	0.809	S	S	*	*			trans	-93	134.8	-170.4	0	0	0	0	0	115.1
562	G	32.3	Very low	33.3	Very low	71 Å²	71	154.7 Å²	154.7	73%	0.732	80%	0.804	S	S	*	*				95.3	173.9	116.9	0	0	0	0	0	121.4
563	V	31	Very low	33.4	Very low	135 Å²	135	154.5 Å²	154.5	82%	0.818	80%	0.803	S	S	*	*			trans	76.9	101.6	163.4	-167.1	0	0	0	0	119.3
564	V	35.1	Very low	33.4	Very low	128 Å²	128	148.8 Å²	148.8	78%	0.776	80%	0.798	S	S	*	*				21.8	130.8	127.4	-166.2	0	0	0	0	119.8
565	V	30.2	Very low	33.4	Very low	136 Å²	136	146.1 Å²	146.1	82%	0.824	80%	0.795	S	S	*	*				-177.3	162.2	124.3	145.6	0	0	0	0	111.4
566	E	34	Very low	34.4	Very low	162 Å²	162	142 Å²	142	76%	0.757	79%	0.786	S	S	*	*			trans	-90.7	170.9	-171.5	-62.6	160.4	111.3	0	0	115
567	E	34.4	Very low	34.6	Very low	173 Å²	173	143.8 Å²	143.8	81%	0.808	78%	0.784	S	S	*	*			trans	68.1	158.9	152.8	-79.8	178.9	168	0	0	119.3
568	E	34.4	Very low	34.8	Very low	147 Å²	147	141.4 Å²	141.4	69%	0.687	78%	0.782	S	S	*	*			cis	-150.1	164	9.4	-143.6	-165.5	171.9	0	0	112.7
569	L	33.3	Very low	35.1	Very low	104 Å²	104	137.3 Å²	137.3	55%	0.545	78%	0.775	S	S	.	*			trans	54.7	137.4	157.7	-107.1	76.4	0	0	0	120.5
570	F	32	Very low	35.2	Very low	177 Å²	177	134 Å²	134	78%	0.776	76%	0.764	S	S	*	*				-158.9	143.2	67.7	-116.5	-100	0	0	0	113.4
571	H	36.1	Very low	35.7	Very low	131 Å²	131	139.4 Å²	139.4	61%	0.606	76%	0.762	S	S	*	*			trans	20.4	146	144.1	-61.4	78.2	0	0	0	121.5
572	Q	34.9	Very low	35.9	Very low	147 Å²	147	139.2 Å²	139.2	69%	0.687	75%	0.754	S	S	*	*			cis	-162.7	147.8	24.2	-145.3	166.7	48.5	0	0	114.2
573	Q	34.5	Very low	36.2	Very low	180 Å²	180	142.1 Å²	142.1	84%	0.841	76%	0.762	S	S	*	*			trans	38.1	129.3	150.8	-70.3	169.3	18.4	0	0	122.3
574	G	33.3	Very low	36.8	Very low	81 Å²	81	139.5 Å²	139.5	84%	0.835	75%	0.754	S	S	*	*			trans	-179.5	39.7	170.7	0	0	0	0	0	119.8
575	T	35.1	Very low	37.3	Very low	136 Å²	136	141 Å²	141	83%	0.834	76%	0.757	S	S	*	*			trans	-92.2	161	170.2	68.2	0	0	0	0	110.5
576	P	51.8	Low	37.9	Very low	111 Å²	111	147 Å²	147	72%	0.721	78%	0.778	S	S	*	*			cis	-149.2	-172.2	21.3	43.2	-22.1	0	0	0	118.7
577	R	38	Very low	38.1	Very low	223 Å²	223	146.2 Å²	146.2	84%	0.842	78%	0.779	S	S	*	*			trans	89.4	104	140.7	-95.5	-177.1	170	-175.6	-4.1	123.3
578	T	36.9	Very low	38.3	Very low	126 Å²	126	144.8 Å²	144.8	77%	0.773	78%	0.778	S	S	*	*				58	117.5	122.3	56.7	0	0	0	0	122.5
579	S	38.5	Very low	38.5	Very low	107 Å²	107	144.7 Å²	144.7	75%	0.748	78%	0.783	S	S	*	*				-178.2	131.6	109.3	-163.7	0	0	0	0	108.3
580	N	37.6	Very low	38.8	Very low	131 Å²	131	147.1 Å²	147.1	70%	0.701	80%	0.797	S	S	*	*				44	131.8	74.7	-77.4	-24.9	0	0	0	113.7
581	R	42	Very low	39.3	Very low	216 Å²	216	145.2 Å²	145.2	82%	0.815	80%	0.798	S	S	*	*			cis	-161	168.7	7.4	-130.3	170.4	-167.2	-174.4	-0.1	111.9
582	S	38.4	Very low	39.5	Very low	101 Å²	101	146.1 Å²	146.1	71%	0.706	81%	0.811	S	S	*	*			trans	-33.2	152	161.9	55.7	0	0	0	0	117.7
583	C	37.9	Very low	39.8	Very low	133 Å²	133	146.1 Å²	146.1	90%	0.899	82%	0.82	S	S	*	*				-154.7	162.8	113	-141.7	0	0	0	0	112.3
584	A	44.5	Very low	40.2	Very low	80 Å²	80	143.5 Å²	143.5	66%	0.661	82%	0.818	S	S	*	*			trans	-145.3	146.2	175.1	0	0	0	0	0	110.3
585	I	45.4	Very low	40.8	Very low	160 Å²	160	148.7 Å²	148.7	82%	0.821	82%	0.817	S	S	*	*			trans	42.2	102.7	156.8	-51.6	170.6	0	0	0	117.1
586	M	43.5	Very low	41.3	Very low	260 Å²	260	149.8 Å²	149.8	100%	1.281	82%	0.815	S	S	*	*				-148.2	0	101.7	-106.1	-168.5	-69.1	0	0	110.2

Retrieved 586 of 586 residues in 95.6 ms (Link to these results)

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