A0A087XVI4_POEFO Loading...

Adducin 1 (alpha)

AlphaFold DB , UniProt , Accession A0A087XVI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 635 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	34.8	Very low	225 Å²	225	132.3 Å²	132.3	100%	1.108	87%	0.865	S	S	*	*				0	89.1	0	-59	168.3	93.8	0	0	104.6
2	N	33.8	Very low	34.5	Very low	164 Å²	164	129.2 Å²	129.2	88%	0.877	86%	0.858	S	S	*	*			cis	59.7	121.2	48.4	-47.6	47.9	0	0	0	109.8
3	G	30.7	Very low	34.5	Very low	76 Å²	76	128 Å²	128	78%	0.784	85%	0.849	S	S	*	*			cis	-172.9	-166.8	-0.4	0	0	0	0	0	112.4
4	E	34.7	Very low	34.4	Very low	192 Å²	192	127.1 Å²	127.1	90%	0.897	84%	0.842	S	S	*	*			trans	-73.5	-175.1	178.3	-59	172.1	101.2	0	0	113.6
5	S	34.9	Very low	34.7	Very low	130 Å²	130	126.8 Å²	126.8	91%	0.909	84%	0.839	S	S	*	*			trans	99.4	155.1	163.8	77.8	0	0	0	0	117
6	G	32.4	Very low	35.6	Very low	68 Å²	68	127.6 Å²	127.6	70%	0.701	84%	0.84	S	S	*	*			trans	-156.1	-156.3	-175	0	0	0	0	0	111.8
7	A	33	Very low	35.8	Very low	117 Å²	117	127.7 Å²	127.7	97%	0.967	84%	0.837	S	S	*	*			trans	68.5	151.3	-170	0	0	0	0	0	115.3
8	G	29.4	Very low	36.1	Very low	78 Å²	78	128.2 Å²	128.2	80%	0.804	84%	0.836	S	S	*	*			trans	131.8	89.2	174.7	0	0	0	0	0	114.5
9	V	40.8	Very low	36.3	Very low	133 Å²	133	127.2 Å²	127.2	81%	0.806	83%	0.83	S	S	*	*			trans	-84.1	133	166.5	172.3	0	0	0	0	109.4	T11	V9-T11 HydrophobicContact CG1-CG2 4.29Å
10	V	31.4	Very low	36.4	Very low	146 Å²	146	130.1 Å²	130.1	89%	0.885	83%	0.831	S	S	*	*			trans	-136.7	126.9	159.3	-177.4	0	0	0	0	109.3
11	T	44.5	Very low	36.6	Very low	126 Å²	126	133.3 Å²	133.3	77%	0.773	83%	0.832	S	S	*	*			trans	-98.7	139.8	-179.6	49.7	0	0	0	0	112.1	V9	V9-T11 HydrophobicContact CG1-CG2 4.29Å
12	A	30.9	Very low	36.8	Very low	95 Å²	95	130.5 Å²	130.5	79%	0.785	82%	0.817	S	S	*	*			trans	-143.4	158.9	171.1	0	0	0	0	0	110.2
13	P	35.4	Very low	37.3	Very low	114 Å²	114	132.1 Å²	132.1	74%	0.74	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-86.9	162.9	-149.8	32.9	-36.4	0	0	0	115.8
14	P	32.9	Very low	38	Very low	115 Å²	115	139.1 Å²	139.1	75%	0.747	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-70.6	135.6	179.5	29	-35.5	0	0	0	112.5
15	P	39.3	Very low	38.1	Very low	123 Å²	123	137.7 Å²	137.7	80%	0.799	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-72.8	135.2	172.1	30	-33.4	0	0	0	111.1	T17	P15-T17 PolarHBondContact O-N 3.14Å
16	T	48.1	Very low	38.9	Very low	140 Å²	140	137.6 Å²	137.6	86%	0.859	80%	0.795	S	S	*	*			trans	-86.1	97.3	-173.2	51.8	0	0	0	0	112.9
17	T	39	Very low	40	Very low	129 Å²	129	145.5 Å²	145.5	79%	0.791	80%	0.804	S	S	*	*			trans	-129.1	140.9	153.3	50.6	0	0	0	0	108.7	P15 P19	P15-T17 PolarHBondContact O-N 3.14Å; T17-P19 WeakPolarHBondContact O-CD 3.37Å
18	V	41	Very low	41	Very low	136 Å²	136	143.5 Å²	143.5	82%	0.824	78%	0.779	S	S	*	*			trans	-93	112.5	-176.2	-173.2	0	0	0	0	108.6
19	P	39.8	Very low	42.3	Very low	109 Å²	109	144.7 Å²	144.7	71%	0.708	77%	0.767	S	S	*	*			trans	-66.9	143.9	168.2	-12.3	29	0	0	0	108.7	T17 K21	T17-P19 WeakPolarHBondContact O-CD 3.37Å; P19-K21 PolarHBondContact O-N 3.45Å
20	H	38.4	Very low	43	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.856	76%	0.758	S	S	*	*			trans	-59.6	128.8	177	-88	-109.7	0	0	0	110.2	E22	H20-E22 VanDerWaalsContact C-N 3.25Å; H20-E22 PolarHBondContact O-N 3.43Å
21	K	40.2	Very low	44.3	Very low	198 Å²	198	141.4 Å²	141.4	86%	0.861	74%	0.742	S	S	*	*			trans	-78.3	78.2	-179.1	-167.2	175.6	-174.1	177	0	109.1	P19 R23	P19-K21 PolarHBondContact O-N 3.45Å; K21-R23 PolarHBondContact O-N 3.28Å
22	E	42.2	Very low	45.4	Very low	166 Å²	166	136.6 Å²	136.6	78%	0.776	71%	0.714	S	S	*	*			trans	-45.5	130.2	168	-71.7	-176.6	169.3	0	0	108.9	H20	H20-E22 VanDerWaalsContact C-N 3.25Å; H20-E22 PolarHBondContact O-N 3.43Å
23	R	43.3	Very low	46.6	Very low	199 Å²	199	135.6 Å²	135.6	75%	0.751	70%	0.7	S	S	*	*			trans	-85.8	151.6	-175.2	-69.8	-176.5	175.4	-173.5	-0.5	108.4	K21 F25 D26	K21-R23 PolarHBondContact O-N 3.28Å; R23-F25 HydrophobicContact CB-CD2 4.44Å; R23-F25 PolarHBondContact O-N 3.35Å; R23-D26 PolarHBondContact O-N 2.89Å
24	Y	45.8	Very low	47.5	Very low	223 Å²	223	136 Å²	136	88%	0.875	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	4.3	-176.8	-166.3	-99.6	0	0	0	114.9
25	F	38.5	Very low	49	Very low	162 Å²	162	134.3 Å²	134.3	71%	0.711	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-20.3	-174.5	-66.8	-84.8	0	0	0	113.5	R23 R27	R23-F25 HydrophobicContact CB-CD2 4.44Å; R23-F25 PolarHBondContact O-N 3.35Å; F25-R27 PolarHBondContact O-N 3.09Å
26	D	50.4	Low	50	Low	127 Å²	127	132.8 Å²	132.8	68%	0.679	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	37.1	-171.7	-54.6	-47.4	0	0	0	113.5	R23	R23-D26 PolarHBondContact O-N 2.89Å
27	R	55.3	Low	50.7	Low	234 Å²	234	133.3 Å²	133.3	88%	0.883	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.6	5	178.9	-73.4	-167.1	179.2	-177	0.6	115	F25	F25-R27 PolarHBondContact O-N 3.09Å
28	V	53.6	Low	51.6	Low	75 Å²	75	130.9 Å²	130.9	46%	0.455	62%	0.619	S	S	.	*			trans	-112.9	112.7	177.2	-177.4	0	0	0	0	108.4	E30 Y35	V28-E30 PolarHBondContact O-N 3.35Å; V28-Y35 HydrophobicContact CG1-CD1 3.97Å; V28-Y35 HydrophobicContact CG1-CD2 3.63Å; V28-Y35 HydrophobicContact CG1-CE1 3.81Å; V28-Y35 HydrophobicContact CG1-CE2 3.47Å; V28-Y35 VanDerWaalsContact CG1-CE2 3.47Å; V28-Y35 HydrophobicContact CG1-CG 3.87Å
29	D	58.8	Low	52.7	Low	103 Å²	103	132.1 Å²	132.1	55%	0.551	61%	0.609	S	S	*	*			trans	-75.2	100.6	171.8	-176	-6.6	0	0	0	109.1	S31 S32	D29-S31 VanDerWaalsContact CG-OG 3.3Å; D29-S31 PolarHBondContact O-N 3.14Å; D29-S31 VanDerWaalsContact O-N 3.08Å; D29-S31 WeakPolarHBondContact OD1-CA 3.47Å; D29-S31 VanDerWaalsContact OD1-CB 3.28Å; D29-S31 WeakPolarHBondContact OD1-CB 3.49Å; D29-S31 PolarHBondContact OD1-N 3.27Å; D29-S31 PolarHBondContact OD1-OG 3.21Å; D29-S31 PolarHBondContact OD2-OG 3.43Å; D29-S32 WeakPolarHBondContact O-CB 3.19Å; D29-S32 PolarHBondContact O-N 2.87Å
30	E	55.2	Low	53.8	Low	129 Å²	129	132.5 Å²	132.5	60%	0.603	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-10.6	177.3	-65.1	-159.3	110.7	0	0	113.5	V28 Y35 Q36	V28-E30 PolarHBondContact O-N 3.35Å; E30-Y35 HydrophobicContact CG-CE1 4.06Å; E30-Q36 WeakPolarHBondContact O-CG 3.35Å; E30-Q36 PolarHBondContact O-NE2 2.88Å
31	S	57.3	Low	55	Low	81 Å²	81	126.4 Å²	126.4	57%	0.566	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-7.7	172.9	79.8	0	0	0	0	114.4	D29	D29-S31 VanDerWaalsContact CG-OG 3.3Å; D29-S31 PolarHBondContact O-N 3.14Å; D29-S31 VanDerWaalsContact O-N 3.08Å; D29-S31 WeakPolarHBondContact OD1-CA 3.47Å; D29-S31 VanDerWaalsContact OD1-CB 3.28Å; D29-S31 WeakPolarHBondContact OD1-CB 3.49Å; D29-S31 PolarHBondContact OD1-N 3.27Å; D29-S31 PolarHBondContact OD1-OG 3.21Å; D29-S31 PolarHBondContact OD2-OG 3.43Å
32	S	67.9	Low	56.3	Low	25 Å²	25	119.2 Å²	119.2	18%	0.175	56%	0.555	C	S	.	*			trans	-60.6	128.8	177.8	156.5	0	0	0	0	112.2	D29 E34 Y35 Q36	D29-S32 WeakPolarHBondContact O-CB 3.19Å; D29-S32 PolarHBondContact O-N 2.87Å; S32-E34 PolarHBondContact O-N 3.02Å; S32-E34 WeakPolarHBondContact OG-CB 3.37Å; S32-E34 PolarHBondContact OG-N 3.32Å; S32-E34 VanDerWaalsContact OG-N 3.16Å; S32-E34 PolarHBondContact OG-OE2 3.23Å; S32-Y35 PolarHBondContact O-N 2.9Å; S32-Y35 PolarHBondContact OG-N 3.29Å; S32-Q36 WeakPolarHBondContact O-CG 3.43Å; S32-Q36 PolarHBondContact O-N 3.22Å
33	P	57	Low	57.1	Low	75 Å²	75	116 Å²	116	49%	0.487	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-6.1	176.2	31.9	-35.7	0	0	0	113.5	R37	P33-R37 WeakPolarHBondContact O-CB 3.32Å; P33-R37 PolarHBondContact O-NE 2.91Å; P33-R37 VanDerWaalsContact O-NE 3.12Å; P33-R37 PolarHBondContact O-NH2 3.43Å
34	E	54	Low	57.8	Low	121 Å²	121	111.9 Å²	111.9	57%	0.565	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-54.1	165	-58.7	67.2	-143.1	0	0	109.6	S32 Q36 R37 E38	S32-E34 PolarHBondContact O-N 3.02Å; S32-E34 WeakPolarHBondContact OG-CB 3.37Å; S32-E34 PolarHBondContact OG-N 3.32Å; S32-E34 VanDerWaalsContact OG-N 3.16Å; S32-E34 PolarHBondContact OG-OE2 3.23Å; E34-Q36 PolarHBondContact O-N 3.33Å; E34-R37 WeakPolarHBondContact O-CA 3.39Å; E34-R37 WeakPolarHBondContact O-CB 3.41Å; E34-R37 PolarHBondContact O-N 2.84Å; E34-E38 PolarHBondContact O-N 3.14Å
35	Y	63.8	Low	58	Low	80 Å²	80	105.8 Å²	105.8	31%	0.314	52%	0.524	S	S	.	.	H	α-helix	trans	-61	-43.8	-177.3	-178.4	-108	0	0	0	112.4	V28 E30 S32 R37 E38 R39	V28-Y35 HydrophobicContact CG1-CD1 3.97Å; V28-Y35 HydrophobicContact CG1-CD2 3.63Å; V28-Y35 HydrophobicContact CG1-CE1 3.81Å; V28-Y35 HydrophobicContact CG1-CE2 3.47Å; V28-Y35 VanDerWaalsContact CG1-CE2 3.47Å; V28-Y35 HydrophobicContact CG1-CG 3.87Å; E30-Y35 HydrophobicContact CG-CE1 4.06Å; S32-Y35 PolarHBondContact O-N 2.9Å; S32-Y35 PolarHBondContact OG-N 3.29Å; Y35-R37 VanDerWaalsContact C-N 3.27Å; Y35-R37 PolarHBondContact O-N 3.04Å; Y35-E38 PolarHBondContact O-N 3.28Å; Y35-R39 WeakPolarHBondContact O-CB 3.39Å; Y35-R39 PolarHBondContact O-N 2.91Å
36	Q	60.5	Low	59.1	Low	91 Å²	91	102.7 Å²	102.7	43%	0.425	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-35.3	175.6	-68.2	-179.8	9.7	0	0	112.2	E30 S32 E34 N40	E30-Q36 WeakPolarHBondContact O-CG 3.35Å; E30-Q36 PolarHBondContact O-NE2 2.88Å; S32-Q36 WeakPolarHBondContact O-CG 3.43Å; S32-Q36 PolarHBondContact O-N 3.22Å; E34-Q36 PolarHBondContact O-N 3.33Å; Q36-N40 VanDerWaalsContact O-CB 3.27Å; Q36-N40 WeakPolarHBondContact O-CB 3.46Å; Q36-N40 PolarHBondContact O-N 2.96Å; Q36-N40 PolarHBondContact O-ND2 3.2Å
37	R	62.5	Low	59.7	Low	151 Å²	151	102.7 Å²	102.7	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-71.2	-41.1	177.3	-163.2	-175	-42	-175.4	9.4	111.3	P33 E34 Y35 R39 N40 M41	P33-R37 WeakPolarHBondContact O-CB 3.32Å; P33-R37 PolarHBondContact O-NE 2.91Å; P33-R37 VanDerWaalsContact O-NE 3.12Å; P33-R37 PolarHBondContact O-NH2 3.43Å; E34-R37 WeakPolarHBondContact O-CA 3.39Å; E34-R37 WeakPolarHBondContact O-CB 3.41Å; E34-R37 PolarHBondContact O-N 2.84Å; Y35-R37 VanDerWaalsContact C-N 3.27Å; Y35-R37 PolarHBondContact O-N 3.04Å; R37-R39 VanDerWaalsContact C-N 3.33Å; R37-N40 PolarHBondContact O-N 3.03Å; R37-M41 WeakPolarHBondContact O-CG 3.35Å; R37-M41 PolarHBondContact O-N 2.74Å
38	E	58	Low	59.6	Low	79 Å²	79	95.6 Å²	95.6	37%	0.369	48%	0.483	S	S	.	.	H	α-helix	trans	-70.6	-27.7	176.8	-133.9	-155.3	160.5	0	0	113.1	E34 Y35 R46	E34-E38 PolarHBondContact O-N 3.14Å; Y35-E38 PolarHBondContact O-N 3.28Å; E38-R46 VanDerWaalsContact CD-NE 3.31Å; E38-R46 PolarHBondContact O-NH1 3.09Å; E38-R46 VanDerWaalsContact O-NH1 3.12Å; E38-R46 IonicContact OE1-CZ 2.7Å; E38-R46 IonicContact OE1-NE 3.62Å; E38-R46 PolarHBondContact OE1-NE 3.1Å; E38-R46 IonicContact OE1-NH2 2.95Å; E38-R46 PolarHBondContact OE1-NH2 3.06Å; E38-R46 IonicContact OE2-CZ 2.68Å; E38-R46 IonicContact OE2-NH2 3.46Å; E38-R46 PolarHBondContact OE2-NH2 3.43Å
39	R	63.8	Low	59.9	Low	162 Å²	162	97.5 Å²	97.5	61%	0.611	49%	0.485	S	S	*	.	H	α-helix	trans	-77.2	-31.4	172.9	-159.3	-168.5	80.2	163.3	5.8	112.7	Y35 R37	Y35-R39 WeakPolarHBondContact O-CB 3.39Å; Y35-R39 PolarHBondContact O-N 2.91Å; R37-R39 VanDerWaalsContact C-N 3.33Å
40	N	62.9	Low	60.4	Low	117 Å²	117	96.4 Å²	96.4	63%	0.626	48%	0.479	S	S	*	.	H	α-helix	trans	-94.6	-5.2	-178.4	-62.9	-11.9	0	0	0	113.3	Q36 R37	Q36-N40 VanDerWaalsContact O-CB 3.27Å; Q36-N40 WeakPolarHBondContact O-CB 3.46Å; Q36-N40 PolarHBondContact O-N 2.96Å; Q36-N40 PolarHBondContact O-ND2 3.2Å; R37-N40 PolarHBondContact O-N 3.03Å
41	M	64.9	Low	60.6	Low	56 Å²	56	93.1 Å²	93.1	28%	0.276	46%	0.464	S	S	.	.	S	Bend	trans	-74.3	136.7	169.7	-88	180	169	0	0	111.5	R37 F49	R37-M41 WeakPolarHBondContact O-CG 3.35Å; R37-M41 PolarHBondContact O-N 2.74Å; M41-F49 HydrophobicContact CE-CD2 3.91Å; M41-F49 HydrophobicContact CE-CE2 3.67Å; M41-F49 HydrophobicContact CE-CZ 4.2Å; M41-F49 HydrophobicContact SD-CD2 4.35Å
42	A	66.1	Low	60.2	Low	48 Å²	48	94 Å²	94	40%	0.397	46%	0.461	S	S	.	.			trans	-59.5	147.9	168.6	0	0	0	0	0	111	D44 L45 R46	A42-D44 PolarHBondContact O-N 3.36Å; A42-L45 PolarHBondContact O-N 3.21Å; A42-R46 PolarHBondContact O-N 2.88Å
43	P	59.7	Low	60	Low	97 Å²	97	97.5 Å²	97.5	63%	0.63	47%	0.474	S	S	*	.	H	α-helix	trans	-57.8	-37.7	-176.4	22.6	-33.5	0	0	0	112.6	R46 Q47	P43-R46 PolarHBondContact O-N 3.44Å; P43-Q47 PolarHBondContact O-N 3.01Å
44	D	57.9	Low	60.1	Low	113 Å²	113	99.7 Å²	99.7	60%	0.604	48%	0.478	S	S	*	.	H	α-helix	trans	-64.8	-46.3	179.8	-48.7	-36.6	0	0	0	111.4	A42 R46 Q47 D48	A42-D44 PolarHBondContact O-N 3.36Å; D44-R46 VanDerWaalsContact C-N 3.29Å; D44-R46 PolarHBondContact O-N 2.76Å; D44-Q47 WeakPolarHBondContact O-CB 3.42Å; D44-Q47 PolarHBondContact O-N 3.48Å; D44-D48 PolarHBondContact O-N 3.32Å
45	L	49.7	Very low	60.3	Low	95 Å²	95	101.9 Å²	101.9	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-61.2	-37.8	173.2	-95.2	80.7	0	0	0	111.9	A42 Q47 D48 F49	A42-L45 PolarHBondContact O-N 3.21Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-D48 PolarHBondContact O-N 3.47Å; L45-F49 WeakPolarHBondContact O-CB 3.33Å; L45-F49 WeakPolarHBondContact O-CD2 3.21Å; L45-F49 PolarHBondContact O-N 2.83Å
46	R	60.8	Low	60	Low	98 Å²	98	104.8 Å²	104.8	37%	0.37	50%	0.496	S	S	.	.	H	α-helix	trans	-70	-33.6	178.4	-166.3	171	178.3	179.7	-4.4	111.4	E38 A42 P43 D44 N50	E38-R46 VanDerWaalsContact CD-NE 3.31Å; E38-R46 PolarHBondContact O-NH1 3.09Å; E38-R46 VanDerWaalsContact O-NH1 3.12Å; E38-R46 IonicContact OE1-CZ 2.7Å; E38-R46 IonicContact OE1-NE 3.62Å; E38-R46 PolarHBondContact OE1-NE 3.1Å; E38-R46 IonicContact OE1-NH2 2.95Å; E38-R46 PolarHBondContact OE1-NH2 3.06Å; E38-R46 IonicContact OE2-CZ 2.68Å; E38-R46 IonicContact OE2-NH2 3.46Å; E38-R46 PolarHBondContact OE2-NH2 3.43Å; A42-R46 PolarHBondContact O-N 2.88Å; P43-R46 PolarHBondContact O-N 3.44Å; D44-R46 VanDerWaalsContact C-N 3.29Å; D44-R46 PolarHBondContact O-N 2.76Å; R46-N50 PolarHBondContact O-N 2.91Å; R46-N50 VanDerWaalsContact O-N 3.15Å; R46-N50 PolarHBondContact O-ND2 2.73Å
47	Q	63.9	Low	60	Low	127 Å²	127	107 Å²	107	59%	0.593	50%	0.5	S	S	*	.	H	α-helix	trans	-67.5	-44.1	170.3	-179.1	169	-27.4	0	0	111.4	P43 D44 L45 N50 M51	P43-Q47 PolarHBondContact O-N 3.01Å; D44-Q47 WeakPolarHBondContact O-CB 3.42Å; D44-Q47 PolarHBondContact O-N 3.48Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-N50 PolarHBondContact O-N 2.63Å; Q47-M51 WeakPolarHBondContact O-CG 3.46Å; Q47-M51 PolarHBondContact O-N 3.21Å
48	D	53.9	Low	59.7	Low	84 Å²	84	103.5 Å²	103.5	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-65.4	-38.7	176.9	-88.6	-18	0	0	0	113.1	D44 L45 M51 M52	D44-D48 PolarHBondContact O-N 3.32Å; L45-D48 PolarHBondContact O-N 3.47Å; D48-M51 PolarHBondContact O-N 2.91Å; D48-M51 WeakPolarHBondContact OD1-CE 3.43Å; D48-M52 WeakPolarHBondContact O-CB 3.05Å; D48-M52 WeakPolarHBondContact O-CG 3.49Å; D48-M52 PolarHBondContact O-N 3.31Å
49	F	58.3	Low	59.3	Low	116 Å²	116	102.1 Å²	102.1	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-63	-41.9	172.2	-99.3	-87.6	0	0	0	112.1	M41 L45 M52 E53	M41-F49 HydrophobicContact CE-CD2 3.91Å; M41-F49 HydrophobicContact CE-CE2 3.67Å; M41-F49 HydrophobicContact CE-CZ 4.2Å; M41-F49 HydrophobicContact SD-CD2 4.35Å; L45-F49 WeakPolarHBondContact O-CB 3.33Å; L45-F49 WeakPolarHBondContact O-CD2 3.21Å; L45-F49 PolarHBondContact O-N 2.83Å; F49-M52 HydrophobicContact CD1-CE 4.38Å; F49-M52 HydrophobicContact CD2-CE 4.1Å; F49-M52 HydrophobicContact CE2-CE 4.23Å; F49-M52 HydrophobicContact CG-CE 4.18Å; F49-M52 HydrophobicContact CZ-CE 4.44Å; F49-M52 PolarHBondContact O-N 3.07Å; F49-E53 PolarHBondContact O-N 3.46Å
50	N	69.6	Low	59.2	Low	79 Å²	79	100.2 Å²	100.2	42%	0.422	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-40.3	174	-84.1	-77.2	0	0	0	112	R46 Q47 E53 Q54	R46-N50 PolarHBondContact O-N 2.91Å; R46-N50 VanDerWaalsContact O-N 3.15Å; R46-N50 PolarHBondContact O-ND2 2.73Å; Q47-N50 PolarHBondContact O-N 2.63Å; N50-E53 PolarHBondContact O-N 2.77Å; N50-Q54 WeakPolarHBondContact O-CB 3.45Å; N50-Q54 VanDerWaalsContact O-CG 3.3Å; N50-Q54 WeakPolarHBondContact O-CG 3.3Å; N50-Q54 PolarHBondContact O-N 2.7Å
51	M	59.1	Low	59.2	Low	60 Å²	60	96 Å²	96	30%	0.296	47%	0.471	S	S	.	.	H	α-helix	trans	-65.8	-40.5	173.5	-75.2	-154.2	-61.6	0	0	112.4	Q47 D48 Q54 R55	Q47-M51 WeakPolarHBondContact O-CG 3.46Å; Q47-M51 PolarHBondContact O-N 3.21Å; D48-M51 PolarHBondContact O-N 2.91Å; D48-M51 WeakPolarHBondContact OD1-CE 3.43Å; M51-Q54 PolarHBondContact O-N 2.98Å; M51-R55 VanDerWaalsContact O-CB 3.28Å; M51-R55 WeakPolarHBondContact O-CB 3.37Å; M51-R55 WeakPolarHBondContact O-CG 3.43Å; M51-R55 PolarHBondContact O-N 3.01Å
52	M	50.4	Low	58.6	Low	101 Å²	101	96.5 Å²	96.5	50%	0.498	48%	0.475	S	S	.	.	H	α-helix	trans	-63.2	-42.9	175.4	-80.6	-168	-75.9	0	0	111.3	D48 F49 R55 K56	D48-M52 WeakPolarHBondContact O-CB 3.05Å; D48-M52 WeakPolarHBondContact O-CG 3.49Å; D48-M52 PolarHBondContact O-N 3.31Å; F49-M52 HydrophobicContact CD1-CE 4.38Å; F49-M52 HydrophobicContact CD2-CE 4.1Å; F49-M52 HydrophobicContact CE2-CE 4.23Å; F49-M52 HydrophobicContact CG-CE 4.18Å; F49-M52 HydrophobicContact CZ-CE 4.44Å; F49-M52 PolarHBondContact O-N 3.07Å; M52-R55 PolarHBondContact O-N 2.95Å; M52-K56 VanDerWaalsContact O-CB 3.32Å; M52-K56 WeakPolarHBondContact O-CB 3.34Å; M52-K56 PolarHBondContact O-N 3.11Å
53	E	63.7	Low	57.9	Low	97 Å²	97	99.4 Å²	99.4	45%	0.453	48%	0.48	S	S	.	.	H	α-helix	trans	-71.6	-38	177.9	-158.5	-174.9	-133.1	0	0	112.1	F49 N50 K56 R57	F49-E53 PolarHBondContact O-N 3.46Å; N50-E53 PolarHBondContact O-N 2.77Å; E53-K56 PolarHBondContact O-N 2.79Å; E53-R57 VanDerWaalsContact O-CG 3.3Å; E53-R57 WeakPolarHBondContact O-CG 3.17Å; E53-R57 PolarHBondContact O-N 3.46Å; E53-R57 IonicContact OE2-CZ 3.62Å; E53-R57 IonicContact OE2-NE 3.97Å; E53-R57 IonicContact OE2-NH2 3.22Å; E53-R57 PolarHBondContact OE2-NH2 3.25Å
54	Q	58.2	Low	58.5	Low	121 Å²	121	96.5 Å²	96.5	57%	0.565	46%	0.462	S	S	*	.	H	α-helix	trans	-60.1	-47	170.2	-76.9	-179.4	-2.2	0	0	111.6	N50 M51 K56 R57 V58	N50-Q54 WeakPolarHBondContact O-CB 3.45Å; N50-Q54 VanDerWaalsContact O-CG 3.3Å; N50-Q54 WeakPolarHBondContact O-CG 3.3Å; N50-Q54 PolarHBondContact O-N 2.7Å; M51-Q54 PolarHBondContact O-N 2.98Å; Q54-K56 VanDerWaalsContact C-N 3.31Å; Q54-K56 PolarHBondContact O-N 3.47Å; Q54-R57 PolarHBondContact O-N 3.31Å; Q54-V58 WeakPolarHBondContact O-CB 3.48Å; Q54-V58 VanDerWaalsContact O-CG2 3.31Å; Q54-V58 WeakPolarHBondContact O-CG2 3.32Å; Q54-V58 PolarHBondContact O-N 3.01Å
55	R	58.2	Low	58.4	Low	168 Å²	168	94.7 Å²	94.7	63%	0.634	46%	0.456	S	S	*	.	H	α-helix	trans	-59.2	-40.4	174.5	-74.1	169.6	-175.2	-176.2	4.3	111.6	M51 M52 V58 S59	M51-R55 VanDerWaalsContact O-CB 3.28Å; M51-R55 WeakPolarHBondContact O-CB 3.37Å; M51-R55 WeakPolarHBondContact O-CG 3.43Å; M51-R55 PolarHBondContact O-N 3.01Å; M52-R55 PolarHBondContact O-N 2.95Å; R55-V58 PolarHBondContact O-N 2.8Å; R55-S59 WeakPolarHBondContact O-CB 3.26Å; R55-S59 PolarHBondContact O-N 3Å
56	K	58.7	Low	59.2	Low	141 Å²	141	92.6 Å²	92.6	61%	0.613	45%	0.453	S	S	*	.	H	α-helix	trans	-64.2	-45.9	175.2	-172.8	178.5	-180	-177.9	0	112	M52 E53 Q54 S59 M60	M52-K56 VanDerWaalsContact O-CB 3.32Å; M52-K56 WeakPolarHBondContact O-CB 3.34Å; M52-K56 PolarHBondContact O-N 3.11Å; E53-K56 PolarHBondContact O-N 2.79Å; Q54-K56 VanDerWaalsContact C-N 3.31Å; Q54-K56 PolarHBondContact O-N 3.47Å; K56-S59 WeakPolarHBondContact O-CB 3.38Å; K56-S59 PolarHBondContact O-N 3.42Å; K56-M60 HydrophobicContact CG-SD 4.46Å; K56-M60 WeakPolarHBondContact O-CG 3.46Å; K56-M60 PolarHBondContact O-N 3.22Å
57	R	60.3	Low	59.6	Low	136 Å²	136	88.3 Å²	88.3	51%	0.513	44%	0.437	S	S	.	.	H	α-helix	trans	-62.7	-43.9	175.3	-67	179.8	-149.7	-170.3	9.2	111.5	E53 Q54 M60 I61	E53-R57 VanDerWaalsContact O-CG 3.3Å; E53-R57 WeakPolarHBondContact O-CG 3.17Å; E53-R57 PolarHBondContact O-N 3.46Å; E53-R57 IonicContact OE2-CZ 3.62Å; E53-R57 IonicContact OE2-NE 3.97Å; E53-R57 IonicContact OE2-NH2 3.22Å; E53-R57 PolarHBondContact OE2-NH2 3.25Å; Q54-R57 PolarHBondContact O-N 3.31Å; R57-M60 PolarHBondContact O-N 3.05Å; R57-I61 VanDerWaalsContact O-CG1 3.3Å; R57-I61 WeakPolarHBondContact O-CG1 3.28Å; R57-I61 PolarHBondContact O-N 2.98Å
58	V	54.8	Low	59.5	Low	79 Å²	79	83.7 Å²	83.7	48%	0.479	42%	0.418	S	S	.	.	H	α-helix	trans	-62.2	-44.4	175.3	169.5	0	0	0	0	111	Q54 R55 M60 I61 L62	Q54-V58 WeakPolarHBondContact O-CB 3.48Å; Q54-V58 VanDerWaalsContact O-CG2 3.31Å; Q54-V58 WeakPolarHBondContact O-CG2 3.32Å; Q54-V58 PolarHBondContact O-N 3.01Å; R55-V58 PolarHBondContact O-N 2.8Å; V58-M60 VanDerWaalsContact C-N 3.33Å; V58-M60 PolarHBondContact O-N 3.15Å; V58-I61 PolarHBondContact O-N 3.26Å; V58-L62 HydrophobicContact CG1-CD1 3.78Å; V58-L62 HydrophobicContact CG1-CG 4.31Å; V58-L62 WeakPolarHBondContact O-CG 3.37Å; V58-L62 PolarHBondContact O-N 3.39Å
59	S	51.5	Low	60.2	Low	50 Å²	50	85.9 Å²	85.9	35%	0.35	43%	0.426	S	S	.	.	H	α-helix	trans	-56.9	-45.1	173.5	-174.2	0	0	0	0	112	R55 K56 I61 L62 Q63	R55-S59 WeakPolarHBondContact O-CB 3.26Å; R55-S59 PolarHBondContact O-N 3Å; K56-S59 WeakPolarHBondContact O-CB 3.38Å; K56-S59 PolarHBondContact O-N 3.42Å; S59-I61 VanDerWaalsContact C-N 3.34Å; S59-I61 PolarHBondContact O-N 2.99Å; S59-L62 PolarHBondContact O-N 3Å; S59-Q63 WeakPolarHBondContact O-CB 3.39Å; S59-Q63 VanDerWaalsContact O-CG 3.22Å; S59-Q63 WeakPolarHBondContact O-CG 3.43Å; S59-Q63 PolarHBondContact O-N 3.44Å; S59-Q63 PolarHBondContact O-OE1 3.45Å
60	M	59.6	Low	60.9	Low	121 Å²	121	83 Å²	83	60%	0.596	41%	0.414	S	S	*	.	H	α-helix	trans	-66.2	-32.2	177.8	-71.1	174.8	66.1	0	0	113.1	K56 R57 V58 S64	K56-M60 HydrophobicContact CG-SD 4.46Å; K56-M60 WeakPolarHBondContact O-CG 3.46Å; K56-M60 PolarHBondContact O-N 3.22Å; R57-M60 PolarHBondContact O-N 3.05Å; V58-M60 VanDerWaalsContact C-N 3.33Å; V58-M60 PolarHBondContact O-N 3.15Å; M60-S64 PolarHBondContact O-N 2.91Å
61	I	64.8	Low	60.8	Low	30 Å²	30	79.5 Å²	79.5	15%	0.154	40%	0.395	C	S	.	.	H	α-helix	trans	-70.7	-45.2	173.9	-65.3	160.5	0	0	0	110.4	R57 V58 S59 Q63 S64 F67 L578	R57-I61 VanDerWaalsContact O-CG1 3.3Å; R57-I61 WeakPolarHBondContact O-CG1 3.28Å; R57-I61 PolarHBondContact O-N 2.98Å; V58-I61 PolarHBondContact O-N 3.26Å; S59-I61 VanDerWaalsContact C-N 3.34Å; S59-I61 PolarHBondContact O-N 2.99Å; I61-Q63 PolarHBondContact O-N 3.42Å; I61-S64 VanDerWaalsContact O-CB 3.26Å; I61-S64 WeakPolarHBondContact O-CB 3.39Å; I61-S64 PolarHBondContact O-N 2.88Å; I61-S64 VanDerWaalsContact O-N 3.08Å; I61-F67 HydrophobicContact CG2-CD1 4.14Å; I61-F67 HydrophobicContact CG2-CD2 4.33Å; I61-F67 HydrophobicContact CG2-CE1 4.36Å; I61-F67 HydrophobicContact CG2-CG 4.13Å; I61-F67 WeakPolarHBondContact O-CD1 3.26Å; I61-L578 HydrophobicContact CD1-CD2 4Å; I61-L578 HydrophobicContact CD1-CG 4.33Å; I61-L578 HydrophobicContact CG1-CD2 4.49Å
62	L	51.6	Low	61.3	Low	66 Å²	66	81.7 Å²	81.7	35%	0.346	41%	0.405	S	S	.	.	H	α-helix	trans	-67.3	-18.1	177.5	-66.5	171.5	0	0	0	113.4	V58 S59 F67 M98	V58-L62 HydrophobicContact CG1-CD1 3.78Å; V58-L62 HydrophobicContact CG1-CG 4.31Å; V58-L62 WeakPolarHBondContact O-CG 3.37Å; V58-L62 PolarHBondContact O-N 3.39Å; S59-L62 PolarHBondContact O-N 3Å; L62-F67 HydrophobicContact CD2-CE1 4.2Å; L62-M98 HydrophobicContact CD2-CE 4.33Å; L62-M98 HydrophobicContact CD2-CG 4.39Å; L62-M98 HydrophobicContact CD2-SD 3.7Å
63	Q	50.6	Low	62.3	Low	108 Å²	108	81 Å²	81	51%	0.505	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	2.1	174.1	-69.9	169.4	-19.4	0	0	113.1	S59 I61 P65	S59-Q63 WeakPolarHBondContact O-CB 3.39Å; S59-Q63 VanDerWaalsContact O-CG 3.22Å; S59-Q63 WeakPolarHBondContact O-CG 3.43Å; S59-Q63 PolarHBondContact O-N 3.44Å; S59-Q63 PolarHBondContact O-OE1 3.45Å; I61-Q63 PolarHBondContact O-N 3.42Å; Q63-P65 WeakPolarHBondContact O-CD 3.17Å
64	S	73.1	Confident	62.6	Low	36 Å²	36	78 Å²	78	25%	0.252	39%	0.392	S	S	.	.			trans	-81.2	117	-179.3	-179	0	0	0	0	111.1	M60 I61 A66 F67 C68	M60-S64 PolarHBondContact O-N 2.91Å; I61-S64 VanDerWaalsContact O-CB 3.26Å; I61-S64 WeakPolarHBondContact O-CB 3.39Å; I61-S64 PolarHBondContact O-N 2.88Å; I61-S64 VanDerWaalsContact O-N 3.08Å; S64-A66 VanDerWaalsContact C-N 3.27Å; S64-A66 PolarHBondContact O-N 2.9Å; S64-F67 WeakPolarHBondContact O-CB 3.5Å; S64-F67 PolarHBondContact O-N 3.37Å; S64-C68 PolarHBondContact O-N 2.83Å; S64-C68 VanDerWaalsContact O-N 3.12Å; S64-C68 PolarHBondContact O-SG 3.49Å; S64-C68 VanDerWaalsContact O-SG 3.41Å
65	P	55.2	Low	63.1	Low	75 Å²	75	73 Å²	73	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-56.8	-39.7	-178.7	-25.6	34.7	0	0	0	113.1	Q63 F67 C68 E69 M102	Q63-P65 WeakPolarHBondContact O-CD 3.17Å; P65-F67 VanDerWaalsContact C-N 3.28Å; P65-F67 PolarHBondContact O-N 3.45Å; P65-C68 WeakPolarHBondContact O-CB 3.42Å; P65-C68 PolarHBondContact O-N 2.93Å; P65-C68 VanDerWaalsContact O-N 3.14Å; P65-E69 WeakPolarHBondContact O-CG 3.37Å; P65-E69 PolarHBondContact O-N 2.99Å; P65-M102 HydrophobicContact CG-CE 4.12Å
66	A	66.5	Low	63.6	Low	52 Å²	52	69 Å²	69	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-29	178.5	0	0	0	0	0	113.1	S64 E70	S64-A66 VanDerWaalsContact C-N 3.27Å; S64-A66 PolarHBondContact O-N 2.9Å; A66-E70 WeakPolarHBondContact O-CB 3.42Å; A66-E70 PolarHBondContact O-N 3.18Å
67	F	69	Low	64.1	Low	8 Å²	8	65.7 Å²	65.7	4%	0.035	35%	0.347	C	S	.	.	H	α-helix	trans	-75.6	-38.1	173.3	179.8	-107.3	0	0	0	111	I61 L62 S64 P65 E70 L71 M98 F570 V574	I61-F67 HydrophobicContact CG2-CD1 4.14Å; I61-F67 HydrophobicContact CG2-CD2 4.33Å; I61-F67 HydrophobicContact CG2-CE1 4.36Å; I61-F67 HydrophobicContact CG2-CG 4.13Å; I61-F67 WeakPolarHBondContact O-CD1 3.26Å; L62-F67 HydrophobicContact CD2-CE1 4.2Å; S64-F67 WeakPolarHBondContact O-CB 3.5Å; S64-F67 PolarHBondContact O-N 3.37Å; P65-F67 VanDerWaalsContact C-N 3.28Å; P65-F67 PolarHBondContact O-N 3.45Å; F67-E70 PolarHBondContact O-N 2.91Å; F67-L71 HydrophobicContact CZ-CD1 4.3Å; F67-L71 VanDerWaalsContact O-CB 3.23Å; F67-L71 WeakPolarHBondContact O-CB 3.32Å; F67-L71 PolarHBondContact O-N 2.89Å; F67-M98 HydrophobicContact CD1-CE 3.8Å; F67-M98 HydrophobicContact CE1-CE 3.94Å; F67-F570 HydrophobicContact CE2-CE2 4.33Å; F67-F570 AromaticContact CZ-CE2 3.89Å; F67-F570 HydrophobicContact CZ-CE2 3.89Å; F67-F570 HydrophobicContact CZ-CZ 4.2Å; F67-V574 HydrophobicContact CE2-CG2 3.88Å; F67-V574 HydrophobicContact CZ-CG2 4.41Å
68	C	62	Low	64.1	Low	29 Å²	29	61.2 Å²	61.2	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-46	173.4	-58.2	0	0	0	0	112	S64 P65 L71 E72 M98	S64-C68 PolarHBondContact O-N 2.83Å; S64-C68 VanDerWaalsContact O-N 3.12Å; S64-C68 PolarHBondContact O-SG 3.49Å; S64-C68 VanDerWaalsContact O-SG 3.41Å; P65-C68 WeakPolarHBondContact O-CB 3.42Å; P65-C68 PolarHBondContact O-N 2.93Å; P65-C68 VanDerWaalsContact O-N 3.14Å; C68-L71 PolarHBondContact O-N 2.89Å; C68-E72 WeakPolarHBondContact O-CB 3.44Å; C68-E72 PolarHBondContact O-N 2.74Å; C68-M98 HydrophobicContact CB-CE 4.49Å; C68-M98 WeakPolarHBondContact SG-CE 3.42Å
69	E	69.6	Low	64.5	Low	130 Å²	130	62.5 Å²	62.5	61%	0.607	34%	0.335	S	S	*	.	H	α-helix	trans	-63.4	-42.6	177.5	-70.8	170.1	-172.8	0	0	112.4	P65 T73	P65-E69 WeakPolarHBondContact O-CG 3.37Å; P65-E69 PolarHBondContact O-N 2.99Å; E69-T73 WeakPolarHBondContact O-CB 3.48Å; E69-T73 WeakPolarHBondContact O-CG2 3.48Å; E69-T73 PolarHBondContact O-N 3.24Å; E69-T73 PolarHBondContact O-OG1 2.84Å
70	E	72.1	Confident	65.3	Low	55 Å²	55	67.7 Å²	67.7	26%	0.257	35%	0.352	S	S	.	.	H	α-helix	trans	-69	-33.5	177.1	-166.6	163.7	-136.1	0	0	111.8	A66 F67 T73 M74 A573 R576	A66-E70 WeakPolarHBondContact O-CB 3.42Å; A66-E70 PolarHBondContact O-N 3.18Å; F67-E70 PolarHBondContact O-N 2.91Å; E70-T73 PolarHBondContact O-OG1 3.15Å; E70-M74 VanDerWaalsContact O-CB 3.31Å; E70-M74 WeakPolarHBondContact O-CB 3.43Å; E70-M74 PolarHBondContact O-N 2.78Å; E70-A573 HydrophobicContact CG-CB 4.15Å; E70-A573 WeakPolarHBondContact OE2-CB 3.35Å; E70-R576 IonicContact OE1-CZ 2.78Å; E70-R576 IonicContact OE1-NH1 2.74Å; E70-R576 PolarHBondContact OE1-NH1 2.91Å
71	L	68.6	Low	65.6	Low	6 Å²	6	67.1 Å²	67.1	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-68.5	-48.1	173	-166.7	84.5	0	0	0	111.9	F67 C68 M74 I75 L91 I94 A95 M98 F570	F67-L71 HydrophobicContact CZ-CD1 4.3Å; F67-L71 VanDerWaalsContact O-CB 3.23Å; F67-L71 WeakPolarHBondContact O-CB 3.32Å; F67-L71 PolarHBondContact O-N 2.89Å; C68-L71 PolarHBondContact O-N 2.89Å; L71-M74 HydrophobicContact CD1-CE 4Å; L71-M74 PolarHBondContact O-N 3.35Å; L71-I75 HydrophobicContact CD2-CD1 4.41Å; L71-I75 HydrophobicContact CG-CD1 4.14Å; L71-I75 VanDerWaalsContact O-CG1 3.31Å; L71-I75 WeakPolarHBondContact O-CG1 3.5Å; L71-I75 PolarHBondContact O-N 2.73Å; L71-L91 HydrophobicContact CD1-CD2 3.77Å; L71-I94 HydrophobicContact CD2-CG2 4.32Å; L71-A95 HydrophobicContact CD2-CB 4.05Å; L71-M98 HydrophobicContact CD2-CE 4.24Å; L71-M98 HydrophobicContact CD2-SD 4.06Å; L71-F570 HydrophobicContact CD1-CD2 4.5Å; L71-F570 HydrophobicContact CD1-CE2 4.12Å
72	E	68.1	Low	64.9	Low	107 Å²	107	68.9 Å²	68.9	50%	0.5	37%	0.371	S	S	.	.	H	α-helix	trans	-67.1	-43	-177.3	-166.8	-174.2	160.8	0	0	111.4	C68 M74 I75 Q76	C68-E72 WeakPolarHBondContact O-CB 3.44Å; C68-E72 PolarHBondContact O-N 2.74Å; E72-M74 VanDerWaalsContact C-N 3.34Å; E72-M74 PolarHBondContact O-N 3.38Å; E72-I75 PolarHBondContact O-N 2.68Å; E72-Q76 WeakPolarHBondContact O-CG 3.3Å; E72-Q76 PolarHBondContact O-N 2.89Å; E72-Q76 PolarHBondContact OE1-NE2 3.26Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.12Å
73	T	73.3	Confident	64.9	Low	85 Å²	85	73 Å²	73	52%	0.521	39%	0.387	S	S	.	.	H	α-helix	trans	-63.5	-38.5	175.6	49.4	0	0	0	0	112.3	E69 E70 Q76 D77	E69-T73 WeakPolarHBondContact O-CB 3.48Å; E69-T73 WeakPolarHBondContact O-CG2 3.48Å; E69-T73 PolarHBondContact O-N 3.24Å; E69-T73 PolarHBondContact O-OG1 2.84Å; E70-T73 PolarHBondContact O-OG1 3.15Å; T73-Q76 PolarHBondContact O-N 2.86Å; T73-D77 WeakPolarHBondContact O-CB 3.39Å; T73-D77 PolarHBondContact O-N 3.3Å
74	M	69.2	Low	65.2	Low	34 Å²	34	73.9 Å²	73.9	17%	0.167	40%	0.399	C	S	.	.	H	α-helix	trans	-62.2	-43.5	171.7	-178.4	-177.8	60.4	0	0	112	E70 L71 E72 D77 Q78 L91 F570	E70-M74 VanDerWaalsContact O-CB 3.31Å; E70-M74 WeakPolarHBondContact O-CB 3.43Å; E70-M74 PolarHBondContact O-N 2.78Å; L71-M74 HydrophobicContact CD1-CE 4Å; L71-M74 PolarHBondContact O-N 3.35Å; E72-M74 VanDerWaalsContact C-N 3.34Å; E72-M74 PolarHBondContact O-N 3.38Å; M74-D77 PolarHBondContact O-N 2.7Å; M74-Q78 WeakPolarHBondContact O-CG 3.49Å; M74-Q78 PolarHBondContact O-N 3.39Å; M74-L91 HydrophobicContact CE-CD1 4.02Å; M74-L91 HydrophobicContact CE-CD2 3.91Å; M74-F570 HydrophobicContact CE-CD2 4.33Å
75	I	67.7	Low	64.5	Low	18 Å²	18	75 Å²	75	9%	0.092	41%	0.406	C	S	.	.	H	α-helix	trans	-61.6	-47.2	176.2	-71.7	165.2	0	0	0	110.7	L71 E72 D77 Q78 L79 L88 L91 A95	L71-I75 HydrophobicContact CD2-CD1 4.41Å; L71-I75 HydrophobicContact CG-CD1 4.14Å; L71-I75 VanDerWaalsContact O-CG1 3.31Å; L71-I75 WeakPolarHBondContact O-CG1 3.5Å; L71-I75 PolarHBondContact O-N 2.73Å; E72-I75 PolarHBondContact O-N 2.68Å; I75-D77 VanDerWaalsContact C-N 3.34Å; I75-D77 PolarHBondContact O-N 2.87Å; I75-Q78 PolarHBondContact O-N 2.66Å; I75-L79 PolarHBondContact O-N 2.82Å; I75-L88 HydrophobicContact CG2-CD2 4.11Å; I75-L91 HydrophobicContact CD1-CB 4.12Å; I75-L91 HydrophobicContact CG1-CB 4.08Å; I75-A95 HydrophobicContact CD1-CB 3.86Å
76	Q	68.7	Low	64.5	Low	84 Å²	84	77 Å²	77	39%	0.393	42%	0.417	S	S	.	.	H	α-helix	trans	-62.5	-37.4	178.8	-70.6	-176.6	22.8	0	0	112.8	E72 T73 L79 K80	E72-Q76 WeakPolarHBondContact O-CG 3.3Å; E72-Q76 PolarHBondContact O-N 2.89Å; E72-Q76 PolarHBondContact OE1-NE2 3.26Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.12Å; T73-Q76 PolarHBondContact O-N 2.86Å; Q76-L79 WeakPolarHBondContact O-CB 3.47Å; Q76-L79 PolarHBondContact O-N 3Å; Q76-K80 WeakPolarHBondContact O-CG 3.42Å; Q76-K80 PolarHBondContact O-N 2.94Å; Q76-K80 VanDerWaalsContact O-N 3.09Å
77	D	69.2	Low	63.9	Low	71 Å²	71	77.7 Å²	77.7	38%	0.38	42%	0.418	S	S	.	.	H	α-helix	trans	-74.9	-34.6	179.4	-164.9	52.9	0	0	0	112.6	T73 M74 I75 K80 K81	T73-D77 WeakPolarHBondContact O-CB 3.39Å; T73-D77 PolarHBondContact O-N 3.3Å; M74-D77 PolarHBondContact O-N 2.7Å; I75-D77 VanDerWaalsContact C-N 3.34Å; I75-D77 PolarHBondContact O-N 2.87Å; D77-K80 PolarHBondContact O-N 3.5Å; D77-K81 WeakPolarHBondContact O-CD 3.4Å; D77-K81 VanDerWaalsContact O-CG 3.32Å; D77-K81 WeakPolarHBondContact O-CG 3.42Å; D77-K81 PolarHBondContact O-N 3.37Å; D77-K81 VanDerWaalsContact O-N 3.15Å; D77-K81 WeakPolarHBondContact OD2-CE 3.26Å; D77-K81 IonicContact OD2-NZ 3.25Å; D77-K81 PolarHBondContact OD2-NZ 3.26Å
78	Q	61	Low	63.5	Low	42 Å²	42	77.9 Å²	77.9	20%	0.196	42%	0.419	C	S	.	.	H	α-helix	trans	-67.1	-36.5	169.5	-65.5	-65.5	-16.5	0	0	111.9	M74 I75 K80 K81 G82 L88	M74-Q78 WeakPolarHBondContact O-CG 3.49Å; M74-Q78 PolarHBondContact O-N 3.39Å; I75-Q78 PolarHBondContact O-N 2.66Å; Q78-K80 PolarHBondContact O-N 3.13Å; Q78-K81 PolarHBondContact O-N 3.11Å; Q78-G82 PolarHBondContact O-N 3.35Å; Q78-L88 HydrophobicContact CB-CD1 3.87Å; Q78-L88 HydrophobicContact CB-CG 4.34Å
79	L	63.7	Low	63.4	Low	105 Å²	105	81.5 Å²	81.5	55%	0.55	44%	0.436	S	S	.	.	H	α-helix	trans	-58.4	-47.3	172.2	-125.3	77.9	0	0	0	111.6	I75 Q76 K81 G82 L88	I75-L79 PolarHBondContact O-N 2.82Å; Q76-L79 WeakPolarHBondContact O-CB 3.47Å; Q76-L79 PolarHBondContact O-N 3Å; L79-K81 PolarHBondContact O-N 3.31Å; L79-G82 PolarHBondContact O-N 2.8Å; L79-G82 VanDerWaalsContact O-N 3.09Å; L79-L88 HydrophobicContact CD1-CD1 4.15Å; L79-L88 HydrophobicContact CD1-CD2 3.83Å
80	K	67.8	Low	62.7	Low	159 Å²	159	77.3 Å²	77.3	69%	0.691	42%	0.424	S	S	*	.	H	α-helix	trans	-62.2	-28.2	176.8	-71.2	165.8	-171.6	164.3	0	113	Q76 D77 Q78 G82	Q76-K80 WeakPolarHBondContact O-CG 3.42Å; Q76-K80 PolarHBondContact O-N 2.94Å; Q76-K80 VanDerWaalsContact O-N 3.09Å; D77-K80 PolarHBondContact O-N 3.5Å; Q78-K80 PolarHBondContact O-N 3.13Å; K80-G82 PolarHBondContact O-N 2.8Å
81	K	66.4	Low	62.1	Low	110 Å²	110	76.2 Å²	76.2	48%	0.478	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.1	176.5	-71	166.2	-172.6	168.4	0	113.8	D77 Q78 L79 K83	D77-K81 WeakPolarHBondContact O-CD 3.4Å; D77-K81 VanDerWaalsContact O-CG 3.32Å; D77-K81 WeakPolarHBondContact O-CG 3.42Å; D77-K81 PolarHBondContact O-N 3.37Å; D77-K81 VanDerWaalsContact O-N 3.15Å; D77-K81 WeakPolarHBondContact OD2-CE 3.26Å; D77-K81 IonicContact OD2-NZ 3.25Å; D77-K81 PolarHBondContact OD2-NZ 3.26Å; Q78-K81 PolarHBondContact O-N 3.11Å; L79-K81 PolarHBondContact O-N 3.31Å; K81-K83 PolarHBondContact O-N 3.28Å; K81-K83 VanDerWaalsContact O-N 3.12Å
82	G	50	Low	61.5	Low	66 Å²	66	79.8 Å²	79.8	68%	0.68	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	13.1	165.2	0	0	0	0	0	115.9	Q78 L79 K80	Q78-G82 PolarHBondContact O-N 3.35Å; L79-G82 PolarHBondContact O-N 2.8Å; L79-G82 VanDerWaalsContact O-N 3.09Å; K80-G82 PolarHBondContact O-N 2.8Å
83	K	52	Low	61	Low	154 Å²	154	81.2 Å²	81.2	67%	0.67	44%	0.443	S	S	*	.			trans	-109	124.7	176.7	-67.1	176.5	-176.7	176.3	0	108.6	K81 P85	K81-K83 PolarHBondContact O-N 3.28Å; K81-K83 VanDerWaalsContact O-N 3.12Å; K83-P85 WeakPolarHBondContact O-CD 3.34Å
84	T	56.9	Low	60.4	Low	126 Å²	126	80.8 Å²	80.8	77%	0.773	44%	0.437	S	S	*	.			trans	-111.1	67.4	-179.5	44.4	0	0	0	0	111.8
85	P	57.6	Low	59.7	Low	60 Å²	60	80 Å²	80	39%	0.39	44%	0.436	S	S	.	.			trans	-69.4	156.3	171.1	33.3	-35.7	0	0	0	110.7	K83 S87 L88	K83-P85 WeakPolarHBondContact O-CD 3.34Å; P85-S87 WeakPolarHBondContact CG-OG 3.44Å; P85-S87 PolarHBondContact O-N 2.94Å; P85-L88 HydrophobicContact CG-CB 4.31Å; P85-L88 WeakPolarHBondContact O-CB 3.46Å; P85-L88 PolarHBondContact O-N 3.35Å
86	T	54.7	Low	59	Low	117 Å²	117	83.4 Å²	83.4	72%	0.718	45%	0.454	S	S	*	.	H	α-helix	trans	-55.3	-27.1	177	-40.9	0	0	0	0	113.3	L88 L89 A90	T86-L88 VanDerWaalsContact C-N 3.29Å; T86-L88 PolarHBondContact O-N 2.76Å; T86-L89 PolarHBondContact O-N 3.1Å; T86-A90 PolarHBondContact O-N 3.46Å
87	S	54.7	Low	58.2	Low	65 Å²	65	86.7 Å²	86.7	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-27.9	174.2	50.7	0	0	0	0	113.9	P85 L91	P85-S87 WeakPolarHBondContact CG-OG 3.44Å; P85-S87 PolarHBondContact O-N 2.94Å; S87-L91 WeakPolarHBondContact O-CB 3.36Å; S87-L91 VanDerWaalsContact O-CG 3.32Å; S87-L91 WeakPolarHBondContact O-CG 3.37Å; S87-L91 PolarHBondContact O-N 2.79Å
88	L	59.5	Low	57.2	Low	12 Å²	12	83.8 Å²	83.8	6%	0.063	45%	0.452	C	S	.	.	H	α-helix	trans	-71.8	-40.6	175.7	-148.5	174.1	0	0	0	110.1	I75 Q78 L79 P85 T86 L91 Q92	I75-L88 HydrophobicContact CG2-CD2 4.11Å; Q78-L88 HydrophobicContact CB-CD1 3.87Å; Q78-L88 HydrophobicContact CB-CG 4.34Å; L79-L88 HydrophobicContact CD1-CD1 4.15Å; L79-L88 HydrophobicContact CD1-CD2 3.83Å; P85-L88 HydrophobicContact CG-CB 4.31Å; P85-L88 WeakPolarHBondContact O-CB 3.46Å; P85-L88 PolarHBondContact O-N 3.35Å; T86-L88 VanDerWaalsContact C-N 3.29Å; T86-L88 PolarHBondContact O-N 2.76Å; L88-L91 PolarHBondContact O-N 3.27Å; L88-Q92 WeakPolarHBondContact O-CB 3.46Å; L88-Q92 PolarHBondContact O-N 2.98Å
89	L	59.8	Low	56.8	Low	105 Å²	105	86.3 Å²	86.3	55%	0.55	47%	0.47	S	S	.	.	H	α-helix	trans	-62.9	-41.5	172.9	-64.4	174.3	0	0	0	111.8	T86 Q92 Q93	T86-L89 PolarHBondContact O-N 3.1Å; L89-Q92 PolarHBondContact O-N 2.98Å; L89-Q93 WeakPolarHBondContact O-CG 3.41Å; L89-Q93 PolarHBondContact O-N 3.29Å
90	A	56.6	Low	56	Low	43 Å²	43	86 Å²	86	36%	0.355	47%	0.473	S	S	.	.	H	α-helix	trans	-64.3	-42.2	175.1	0	0	0	0	0	112.4	T86 Q92 Q93 I94	T86-A90 PolarHBondContact O-N 3.46Å; A90-Q92 VanDerWaalsContact C-N 3.33Å; A90-Q92 PolarHBondContact O-N 3.16Å; A90-Q93 PolarHBondContact O-N 3.01Å; A90-I94 WeakPolarHBondContact O-CD1 3.41Å; A90-I94 VanDerWaalsContact O-CG1 3.27Å; A90-I94 WeakPolarHBondContact O-CG1 3.44Å; A90-I94 PolarHBondContact O-N 3.04Å
91	L	58.1	Low	54.6	Low	32 Å²	32	81.9 Å²	81.9	17%	0.168	46%	0.464	C	S	.	.	H	α-helix	trans	-62.7	-39	173.6	-78.7	164.8	0	0	0	112	L71 M74 I75 S87 L88 I94 A95 F570	L71-L91 HydrophobicContact CD1-CD2 3.77Å; M74-L91 HydrophobicContact CE-CD1 4.02Å; M74-L91 HydrophobicContact CE-CD2 3.91Å; I75-L91 HydrophobicContact CD1-CB 4.12Å; I75-L91 HydrophobicContact CG1-CB 4.08Å; S87-L91 WeakPolarHBondContact O-CB 3.36Å; S87-L91 VanDerWaalsContact O-CG 3.32Å; S87-L91 WeakPolarHBondContact O-CG 3.37Å; S87-L91 PolarHBondContact O-N 2.79Å; L88-L91 PolarHBondContact O-N 3.27Å; L91-I94 PolarHBondContact O-N 2.76Å; L91-A95 PolarHBondContact O-N 3.33Å; L91-F570 HydrophobicContact CD2-CD2 4.48Å; L91-F570 HydrophobicContact CD2-CE2 4.48Å
92	Q	57.2	Low	53	Low	81 Å²	81	80.1 Å²	80.1	38%	0.379	46%	0.458	S	S	.	.	H	α-helix	trans	-69.1	-42.1	176.8	-173.8	166.1	-1	0	0	112	L88 L89 A90 I94 A95 D96	L88-Q92 WeakPolarHBondContact O-CB 3.46Å; L88-Q92 PolarHBondContact O-N 2.98Å; L89-Q92 PolarHBondContact O-N 2.98Å; A90-Q92 VanDerWaalsContact C-N 3.33Å; A90-Q92 PolarHBondContact O-N 3.16Å; Q92-I94 VanDerWaalsContact C-N 3.26Å; Q92-I94 PolarHBondContact O-N 3.29Å; Q92-A95 PolarHBondContact O-N 3Å; Q92-A95 VanDerWaalsContact O-N 3.11Å; Q92-D96 WeakPolarHBondContact O-CB 3.34Å; Q92-D96 PolarHBondContact O-N 2.97Å
93	Q	56.8	Low	52.2	Low	136 Å²	136	81.6 Å²	81.6	64%	0.636	46%	0.456	S	S	*	.	H	α-helix	trans	-59	-37.8	172.6	-74.8	172.8	-27.4	0	0	112.3	L89 A90 F97	L89-Q93 WeakPolarHBondContact O-CG 3.41Å; L89-Q93 PolarHBondContact O-N 3.29Å; A90-Q93 PolarHBondContact O-N 3.01Å; Q93-F97 WeakPolarHBondContact O-CB 3.38Å; Q93-F97 PolarHBondContact O-N 3.16Å; Q93-F97 VanDerWaalsContact O-N 3.09Å
94	I	59.9	Low	51.2	Low	76 Å²	76	79.9 Å²	79.9	39%	0.39	46%	0.463	S	S	.	.	H	α-helix	trans	-66.2	-44.4	173.6	-70.7	164.5	0	0	0	110.8	L71 A90 L91 Q92 F97 M98	L71-I94 HydrophobicContact CD2-CG2 4.32Å; A90-I94 WeakPolarHBondContact O-CD1 3.41Å; A90-I94 VanDerWaalsContact O-CG1 3.27Å; A90-I94 WeakPolarHBondContact O-CG1 3.44Å; A90-I94 PolarHBondContact O-N 3.04Å; L91-I94 PolarHBondContact O-N 2.76Å; Q92-I94 VanDerWaalsContact C-N 3.26Å; Q92-I94 PolarHBondContact O-N 3.29Å; I94-F97 PolarHBondContact O-N 3.49Å; I94-M98 HydrophobicContact CG2-SD 3.53Å; I94-M98 VanDerWaalsContact CG2-SD 3.53Å; I94-M98 WeakPolarHBondContact O-CB 3.48Å; I94-M98 VanDerWaalsContact O-CG 3.25Å; I94-M98 WeakPolarHBondContact O-CG 3.31Å; I94-M98 PolarHBondContact O-N 3.04Å
95	A	54.8	Low	50.1	Low	19 Å²	19	82 Å²	82	16%	0.157	47%	0.466	C	S	.	.	H	α-helix	trans	-65.1	-39.9	177.1	0	0	0	0	0	113.2	L71 I75 L91 Q92 F97 M98 T99	L71-A95 HydrophobicContact CD2-CB 4.05Å; I75-A95 HydrophobicContact CD1-CB 3.86Å; L91-A95 PolarHBondContact O-N 3.33Å; Q92-A95 PolarHBondContact O-N 3Å; Q92-A95 VanDerWaalsContact O-N 3.11Å; A95-F97 VanDerWaalsContact C-N 3.35Å; A95-M98 PolarHBondContact O-N 3.18Å; A95-T99 WeakPolarHBondContact O-CB 3.1Å; A95-T99 WeakPolarHBondContact O-CG2 3.42Å; A95-T99 PolarHBondContact O-N 3.31Å; A95-T99 PolarHBondContact O-OG1 3.33Å
96	D	53.9	Low	48.9	Very low	88 Å²	88	89.2 Å²	89.2	47%	0.471	49%	0.487	S	S	.	.	H	α-helix	trans	-66	-37.2	176.3	-70.9	-27.7	0	0	0	111.4	Q92 T99 T100	Q92-D96 WeakPolarHBondContact O-CB 3.34Å; Q92-D96 PolarHBondContact O-N 2.97Å; D96-T99 WeakPolarHBondContact CA-OG1 3.2Å; D96-T99 PolarHBondContact O-OG1 3.41Å; D96-T100 WeakPolarHBondContact O-CB 3.46Å; D96-T100 PolarHBondContact O-N 3.28Å; D96-T100 PolarHBondContact O-OG1 3.23Å
97	F	51	Low	48	Very low	153 Å²	153	89.7 Å²	89.7	67%	0.671	49%	0.493	S	S	*	.	H	α-helix	trans	-67.7	-42	173.2	-174	-97.2	0	0	0	112.1	Q93 I94 A95 S101	Q93-F97 WeakPolarHBondContact O-CB 3.38Å; Q93-F97 PolarHBondContact O-N 3.16Å; Q93-F97 VanDerWaalsContact O-N 3.09Å; I94-F97 PolarHBondContact O-N 3.49Å; A95-F97 VanDerWaalsContact C-N 3.35Å; F97-S101 PolarHBondContact O-N 2.86Å; F97-S101 PolarHBondContact O-OG 3.4Å
98	M	49.5	Very low	46.9	Very low	10 Å²	10	91.2 Å²	91.2	5%	0.049	51%	0.509	C	S	.	.	H	α-helix	trans	-69.4	-42.9	178.4	-72.7	164.9	61	0	0	112.7	L62 F67 C68 L71 I94 A95 T100 S101 M102	L62-M98 HydrophobicContact CD2-CE 4.33Å; L62-M98 HydrophobicContact CD2-CG 4.39Å; L62-M98 HydrophobicContact CD2-SD 3.7Å; F67-M98 HydrophobicContact CD1-CE 3.8Å; F67-M98 HydrophobicContact CE1-CE 3.94Å; C68-M98 HydrophobicContact CB-CE 4.49Å; C68-M98 WeakPolarHBondContact SG-CE 3.42Å; L71-M98 HydrophobicContact CD2-CE 4.24Å; L71-M98 HydrophobicContact CD2-SD 4.06Å; I94-M98 HydrophobicContact CG2-SD 3.53Å; I94-M98 VanDerWaalsContact CG2-SD 3.53Å; I94-M98 WeakPolarHBondContact O-CB 3.48Å; I94-M98 VanDerWaalsContact O-CG 3.25Å; I94-M98 WeakPolarHBondContact O-CG 3.31Å; I94-M98 PolarHBondContact O-N 3.04Å; A95-M98 PolarHBondContact O-N 3.18Å; M98-T100 VanDerWaalsContact C-N 3.3Å; M98-T100 PolarHBondContact O-N 3.2Å; M98-S101 WeakPolarHBondContact O-CA 3.27Å; M98-S101 WeakPolarHBondContact O-CB 3.48Å; M98-S101 PolarHBondContact O-N 3.28Å; M98-M102 PolarHBondContact O-N 2.81Å
99	T	52.4	Low	45.6	Very low	95 Å²	95	95.3 Å²	95.3	58%	0.583	55%	0.545	S	S	*	.	H	α-helix	trans	-67	-29.9	177	49.1	0	0	0	0	112.7	A95 D96 S101	A95-T99 WeakPolarHBondContact O-CB 3.1Å; A95-T99 WeakPolarHBondContact O-CG2 3.42Å; A95-T99 PolarHBondContact O-N 3.31Å; A95-T99 PolarHBondContact O-OG1 3.33Å; D96-T99 WeakPolarHBondContact CA-OG1 3.2Å; D96-T99 PolarHBondContact O-OG1 3.41Å; T99-S101 PolarHBondContact O-N 2.79Å
100	T	47.1	Very low	44.9	Very low	99 Å²	99	95.6 Å²	95.6	61%	0.607	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-12	170.7	-53.6	0	0	0	0	112.6	D96 M98	D96-T100 WeakPolarHBondContact O-CB 3.46Å; D96-T100 PolarHBondContact O-N 3.28Å; D96-T100 PolarHBondContact O-OG1 3.23Å; M98-T100 VanDerWaalsContact C-N 3.3Å; M98-T100 PolarHBondContact O-N 3.2Å
101	S	37.3	Very low	43.7	Very low	72 Å²	72	102.9 Å²	102.9	50%	0.503	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.9	-3.8	-173.8	-57.3	0	0	0	0	115	F97 M98 T99	F97-S101 PolarHBondContact O-N 2.86Å; F97-S101 PolarHBondContact O-OG 3.4Å; M98-S101 WeakPolarHBondContact O-CA 3.27Å; M98-S101 WeakPolarHBondContact O-CB 3.48Å; M98-S101 PolarHBondContact O-N 3.28Å; T99-S101 PolarHBondContact O-N 2.79Å
102	M	32.5	Very low	42.5	Very low	73 Å²	73	105.4 Å²	105.4	36%	0.36	61%	0.614	S	S	.	*	S	Bend	trans	-103.8	126.8	-176	-73.3	-69.2	-81.9	0	0	112.4	P65 M98 S104	P65-M102 HydrophobicContact CG-CE 4.12Å; M98-M102 PolarHBondContact O-N 2.81Å; M102-S104 PolarHBondContact O-N 3.19Å
103	P	34.7	Very low	41.1	Very low	97 Å²	97	104.7 Å²	104.7	63%	0.63	63%	0.628	S	S	*	*			trans	-66.4	124.2	168.8	-17	30.7	0	0	0	110.6	M105	P103-M105 PolarHBondContact O-N 2.84Å
104	S	30.9	Very low	40.1	Very low	118 Å²	118	107.1 Å²	107.1	83%	0.825	64%	0.642	S	S	*	*			trans	-69.4	101	175.7	-175.2	0	0	0	0	110.5	M102 Y106	M102-S104 PolarHBondContact O-N 3.19Å; S104-Y106 PolarHBondContact O-N 2.77Å
105	M	32.1	Very low	39	Very low	170 Å²	170	108.2 Å²	108.2	84%	0.837	66%	0.662	S	S	*	*			trans	-100.6	46.8	-173.9	-158.9	167.4	71.8	0	0	113.3	P103	P103-M105 PolarHBondContact O-N 2.84Å
106	Y	32.9	Very low	37.9	Very low	212 Å²	212	111.8 Å²	111.8	83%	0.831	69%	0.692	S	S	*	*			trans	-134.4	119.3	165.8	-79.9	-72.4	0	0	0	111.2	S104 A108	S104-Y106 PolarHBondContact O-N 2.77Å; Y106-A108 PolarHBondContact O-N 3.02Å
107	P	35.9	Very low	36.8	Very low	128 Å²	128	114.9 Å²	114.9	83%	0.831	71%	0.707	S	S	*	*			trans	-82.2	115.6	178.3	31.4	-32	0	0	0	111.2
108	A	32.7	Very low	36.2	Very low	97 Å²	97	113.2 Å²	113.2	80%	0.802	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-70	145.2	159.1	0	0	0	0	0	110	Y106	Y106-A108 PolarHBondContact O-N 3.02Å
109	A	31.5	Very low	35.6	Very low	98 Å²	98	119.9 Å²	119.9	81%	0.81	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-65.8	153.6	-175.2	0	0	0	0	0	113
110	P	44	Very low	34.8	Very low	110 Å²	110	121.1 Å²	121.1	71%	0.714	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-94.4	128.9	-154.2	34.2	-34.7	0	0	0	114.9
111	Q	33.5	Very low	34.3	Very low	196 Å²	196	120.6 Å²	120.6	92%	0.916	74%	0.744	S	S	*	*			trans	-147.6	85.2	160.8	-135.1	83.3	72.2	0	0	112.7
112	G	31.6	Very low	34.6	Very low	86 Å²	86	119.3 Å²	119.3	89%	0.887	74%	0.741	S	S	*	*	S	Bend	trans	81.2	121.1	160.2	0	0	0	0	0	118.3
113	G	28.9	Very low	35.6	Very low	66 Å²	66	124.6 Å²	124.6	68%	0.68	77%	0.768	S	S	*	*			trans	118.7	82.3	157.4	0	0	0	0	0	117.6	A115	G113-A115 PolarHBondContact O-N 3.14Å
114	M	34.4	Very low	36.9	Very low	187 Å²	187	124.4 Å²	124.4	92%	0.921	76%	0.764	S	S	*	*			trans	34.4	52.6	141.5	-57.5	-61.6	-77.6	0	0	119
115	A	36.3	Very low	39	Very low	98 Å²	98	121.8 Å²	121.8	81%	0.81	74%	0.744	S	S	*	*			trans	-109.1	16.8	-178.2	0	0	0	0	0	115	G113	G113-A115 PolarHBondContact O-N 3.14Å
116	A	31.8	Very low	41.6	Very low	95 Å²	95	116.6 Å²	116.6	79%	0.785	72%	0.722	S	S	*	*			trans	-116.2	32.3	-164.5	0	0	0	0	0	115.5
117	L	32	Very low	44.2	Very low	153 Å²	153	108.6 Å²	108.6	80%	0.801	70%	0.695	S	S	*	*			trans	-126.3	8.6	-177.4	-69.8	177.8	0	0	0	115.3
118	N	38.5	Very low	46.8	Very low	117 Å²	117	107.1 Å²	107.1	63%	0.626	68%	0.681	S	S	*	*			trans	-111.3	65.4	-172.5	-165.4	36.2	0	0	0	113.7
119	M	36.3	Very low	49.5	Very low	151 Å²	151	104.1 Å²	104.1	74%	0.744	65%	0.651	S	S	*	*	S	Bend	trans	-138.2	139.2	168.2	-75.1	-65.4	153.9	0	0	109.7
120	S	35	Very low	52.2	Low	120 Å²	120	100.2 Å²	100.2	84%	0.839	62%	0.617	S	S	*	*	S	Bend	trans	81.2	-13.3	-173.7	79.1	0	0	0	0	118.9	G122	S120-G122 PolarHBondContact O-N 3.44Å
121	L	37.6	Very low	53.8	Low	89 Å²	89	102.8 Å²	102.8	47%	0.466	61%	0.612	S	S	.	*	S	Bend	trans	-76	115.3	174.1	-76.9	163.1	0	0	0	110.9
122	G	44.5	Very low	55.9	Low	44 Å²	44	96.2 Å²	96.2	45%	0.454	60%	0.597	S	S	.	*			trans	-48.7	143.8	179.4	0	0	0	0	0	114.3	S120 V124 R387	S120-G122 PolarHBondContact O-N 3.44Å; G122-V124 PolarHBondContact O-N 3.48Å; G122-V124 VanDerWaalsContact O-N 3.16Å; G122-R387 PolarHBondContact O-NH2 3.02Å
123	M	52	Low	57.6	Low	185 Å²	185	96 Å²	96	91%	0.911	58%	0.582	S	S	*	*			trans	-36.3	106.8	-163.7	-66.9	173.8	69.7	0	0	113.9	T125	M123-T125 PolarHBondContact O-N 2.97Å
124	V	62.8	Low	59.4	Low	93 Å²	93	96.4 Å²	96.4	56%	0.564	57%	0.569	S	S	*	*			trans	-81.1	102.7	178.1	-179	0	0	0	0	109.4	G122 P126	G122-V124 PolarHBondContact O-N 3.48Å; G122-V124 VanDerWaalsContact O-N 3.16Å; V124-P126 WeakPolarHBondContact O-CD 3.46Å
125	T	75.6	Confident	61.2	Low	63 Å²	63	89.1 Å²	89.1	39%	0.387	54%	0.536	S	S	.	.			trans	-59.2	116.8	175.1	-51.1	0	0	0	0	110.4	M123 R154 T193	M123-T125 PolarHBondContact O-N 2.97Å; T125-R154 PolarHBondContact O-NH2 3.07Å; T125-R154 VanDerWaalsContact O-NH2 3.16Å; T125-T193 HydrophobicContact CG2-CG2 3.56Å
126	P	84.7	Confident	63	Low	60 Å²	60	91.5 Å²	91.5	39%	0.39	53%	0.533	S	S	.	.			trans	-71.7	142.2	-174.5	29.3	-34.5	0	0	0	111.5	V124 N128 D129 T193	V124-P126 WeakPolarHBondContact O-CD 3.46Å; P126-N128 VanDerWaalsContact C-N 3.34Å; P126-N128 PolarHBondContact O-N 3.36Å; P126-D129 HydrophobicContact CG-CB 4.24Å; P126-T193 WeakPolarHBondContact O-CG2 3.36Å
127	V	89.1	Confident	65.3	Low	44 Å²	44	90.4 Å²	90.4	27%	0.267	52%	0.52	S	S	.	.	S	Bend	trans	-64.8	-39.7	177.9	-175.1	0	0	0	0	111.6	A150 A151 R154 A194	V127-A150 HydrophobicContact CG1-CB 3.68Å; V127-A151 HydrophobicContact CG1-CB 4.09Å; V127-R154 HydrophobicContact CG2-CG 3.61Å; V127-A194 WeakPolarHBondContact O-CB 3.29Å; V127-A194 PolarHBondContact O-N 3.47Å
128	N	90.6	Very high	68	Low	97 Å²	97	84.3 Å²	84.3	52%	0.519	49%	0.487	S	S	.	.			trans	-100.3	91.3	170.3	179.9	22.1	0	0	0	109.3	P126 C147	P126-N128 VanDerWaalsContact C-N 3.34Å; P126-N128 PolarHBondContact O-N 3.36Å; N128-C147 VanDerWaalsContact CG-SG 3.59Å; N128-C147 PolarHBondContact OD1-SG 3.42Å
129	D	89.6	Confident	70.4	Confident	35 Å²	35	85 Å²	85	19%	0.187	49%	0.49	C	S	.	.			trans	-97.9	-5.4	177.7	59.4	-20.9	0	0	0	113.3	P126 R131 T193 A194 S195	P126-D129 HydrophobicContact CG-CB 4.24Å; D129-R131 PolarHBondContact O-N 3.12Å; D129-T193 VanDerWaalsContact CG-CB 3.42Å; D129-T193 VanDerWaalsContact CG-OG1 3.29Å; D129-T193 WeakPolarHBondContact OD1-CB 3.21Å; D129-T193 PolarHBondContact OD1-OG1 3.27Å; D129-T193 WeakPolarHBondContact OD2-CB 3.28Å; D129-T193 PolarHBondContact OD2-OG1 3.02Å; D129-A194 PolarHBondContact OD1-N 2.85Å; D129-S195 PolarHBondContact OD1-N 3.12Å; D129-S195 VanDerWaalsContact OD2-CB 3.22Å; D129-S195 WeakPolarHBondContact OD2-CB 3.22Å; D129-S195 PolarHBondContact OD2-OG 3.5Å
130	L	86.8	Confident	72.9	Confident	16 Å²	16	86.6 Å²	86.6	8%	0.084	49%	0.493	C	S	.	.			trans	-66.2	93	-177.6	-63.4	178.7	0	0	0	112.5	Y138 K143 R146 A194	L130-Y138 HydrophobicContact CD1-CD2 4.29Å; L130-Y138 HydrophobicContact CD2-CD2 3.95Å; L130-Y138 HydrophobicContact CD2-CE2 3.61Å; L130-K143 HydrophobicContact CD1-CB 4.25Å; L130-K143 HydrophobicContact CD1-CG 4.24Å; L130-R146 HydrophobicContact CD1-CB 4.38Å; L130-A194 HydrophobicContact CD1-CB 3.8Å; L130-A194 HydrophobicContact CG-CB 3.79Å
131	R	79	Confident	75.6	Confident	164 Å²	164	83 Å²	83	62%	0.619	48%	0.475	S	S	*	.			trans	-118.7	164.1	179.1	-64.1	-178.9	-178	-165.2	2.5	111.2	D129 S133 D134 S135	D129-R131 PolarHBondContact O-N 3.12Å; R131-S133 PolarHBondContact O-N 2.8Å; R131-D134 PolarHBondContact O-N 2.9Å; R131-S135 PolarHBondContact O-N 3Å
132	G	76.5	Confident	78.3	Confident	58 Å²	58	79.6 Å²	79.6	60%	0.598	46%	0.457	S	S	*	.	H	α-helix	trans	48.7	-126.6	168.8	0	0	0	0	0	114.8	D134 S135 I136	G132-D134 PolarHBondContact O-N 2.89Å; G132-S135 WeakPolarHBondContact O-CB 3.19Å; G132-S135 PolarHBondContact O-N 2.69Å; G132-I136 PolarHBondContact O-N 2.9Å
133	S	67.5	Low	80.6	Confident	82 Å²	82	80 Å²	80	57%	0.573	45%	0.446	S	S	*	.	H	α-helix	trans	-52.1	-39.1	175.5	43	0	0	0	0	113.7	R131 S135 I136 S137	R131-S133 PolarHBondContact O-N 2.8Å; S133-S135 PolarHBondContact O-N 2.89Å; S133-I136 WeakPolarHBondContact O-CA 3.39Å; S133-I136 WeakPolarHBondContact O-CB 3.45Å; S133-I136 PolarHBondContact O-N 3.1Å; S133-S137 PolarHBondContact O-N 3.08Å; S133-S137 VanDerWaalsContact O-N 3.16Å
134	D	67.8	Low	82.6	Confident	74 Å²	74	76 Å²	76	40%	0.396	43%	0.428	S	S	.	.	H	α-helix	trans	-81.8	-11.8	-170.5	-48	-1.8	0	0	0	110.5	R131 G132 S137 Y138	R131-D134 PolarHBondContact O-N 2.9Å; G132-D134 PolarHBondContact O-N 2.89Å; D134-S137 PolarHBondContact O-OG 3.08Å; D134-S137 VanDerWaalsContact O-OG 3.12Å; D134-Y138 WeakPolarHBondContact O-CD2 3.45Å; D134-Y138 VanDerWaalsContact O-CE2 3.28Å; D134-Y138 WeakPolarHBondContact O-CE2 3.22Å
135	S	71.4	Confident	84.2	Confident	34 Å²	34	73.2 Å²	73.2	24%	0.238	41%	0.41	C	S	.	.	H	α-helix	trans	-78.5	-35.6	159.5	-154	0	0	0	0	111.2	R131 G132 S133 S137 K143	R131-S135 PolarHBondContact O-N 3Å; G132-S135 WeakPolarHBondContact O-CB 3.19Å; G132-S135 PolarHBondContact O-N 2.69Å; S133-S135 PolarHBondContact O-N 2.89Å; S135-S137 VanDerWaalsContact C-N 3.31Å; S135-S137 PolarHBondContact O-N 3.21Å; S135-K143 WeakPolarHBondContact O-CE 3.41Å; S135-K143 PolarHBondContact O-NZ 3.2Å; S135-K143 PolarHBondContact OG-NZ 3.49Å
136	I	74.4	Confident	85.2	Confident	147 Å²	147	70.2 Å²	70.2	75%	0.754	39%	0.391	S	S	*	.	H	α-helix	trans	-71	-28.1	-176	-59.8	171.5	0	0	0	111.6	G132 S133 Y138	G132-I136 PolarHBondContact O-N 2.9Å; S133-I136 WeakPolarHBondContact O-CA 3.39Å; S133-I136 WeakPolarHBondContact O-CB 3.45Å; S133-I136 PolarHBondContact O-N 3.1Å; I136-Y138 VanDerWaalsContact C-N 3.29Å; I136-Y138 PolarHBondContact O-N 3.05Å
137	S	80.3	Confident	85.7	Confident	73 Å²	73	68.7 Å²	68.7	51%	0.51	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.7	-180	54.4	0	0	0	0	116.2	S133 D134 S135	S133-S137 PolarHBondContact O-N 3.08Å; S133-S137 VanDerWaalsContact O-N 3.16Å; D134-S137 PolarHBondContact O-OG 3.08Å; D134-S137 VanDerWaalsContact O-OG 3.12Å; S135-S137 VanDerWaalsContact C-N 3.31Å; S135-S137 PolarHBondContact O-N 3.21Å
138	Y	87.8	Confident	86.1	Confident	25 Å²	25	69.6 Å²	69.6	10%	0.098	38%	0.382	C	S	.	.	S	Bend	trans	-124.2	145	-173.7	-54.2	-58.3	0	0	0	112.9	L130 D134 I136 E142 K143 R146 D208	L130-Y138 HydrophobicContact CD1-CD2 4.29Å; L130-Y138 HydrophobicContact CD2-CD2 3.95Å; L130-Y138 HydrophobicContact CD2-CE2 3.61Å; D134-Y138 WeakPolarHBondContact O-CD2 3.45Å; D134-Y138 VanDerWaalsContact O-CE2 3.28Å; D134-Y138 WeakPolarHBondContact O-CE2 3.22Å; I136-Y138 VanDerWaalsContact C-N 3.29Å; I136-Y138 PolarHBondContact O-N 3.05Å; Y138-E142 VanDerWaalsContact CD1-OE1 3.31Å; Y138-E142 WeakPolarHBondContact CD1-OE1 3.35Å; Y138-K143 WeakPolarHBondContact O-CE 3.45Å; Y138-R146 VanDerWaalsContact CE1-CZ 3.5Å; Y138-D208 WeakPolarHBondContact CE1-OD2 3.02Å
139	D	89.7	Confident	86.5	Confident	130 Å²	130	65 Å²	65	70%	0.695	36%	0.357	S	S	*	.			trans	-63.6	150.4	170.1	-86.1	-53.5	0	0	0	112.3	G141 E142 K143	D139-G141 PolarHBondContact O-N 3.34Å; D139-G141 VanDerWaalsContact O-N 3.1Å; D139-E142 PolarHBondContact O-N 3.47Å; D139-K143 WeakPolarHBondContact O-CG 3.37Å; D139-K143 PolarHBondContact O-N 2.9Å
140	K	89.1	Confident	86.8	Confident	186 Å²	186	63.3 Å²	63.3	81%	0.809	35%	0.348	S	S	*	.	H	α-helix	trans	-55	-33	179.7	-173.8	178.8	177.8	-177.7	0	112.9	L144	K140-L144 PolarHBondContact O-N 3.35Å
141	G	90.8	Very high	87.3	Confident	45 Å²	45	64.3 Å²	64.3	46%	0.464	36%	0.359	S	S	.	.	H	α-helix	trans	-68.7	-49.5	173.2	0	0	0	0	0	112.7	D139 K143 L144 L145	D139-G141 PolarHBondContact O-N 3.34Å; D139-G141 VanDerWaalsContact O-N 3.1Å; G141-K143 PolarHBondContact O-N 2.83Å; G141-L144 PolarHBondContact O-N 3.42Å; G141-L145 WeakPolarHBondContact O-CG 3.41Å; G141-L145 PolarHBondContact O-N 2.94Å; G141-L145 VanDerWaalsContact O-N 3.11Å
142	E	94.1	Very high	88.2	Confident	16 Å²	16	56.8 Å²	56.8	8%	0.075	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-42.5	179.3	-173.1	177	149	0	0	111.8	Y138 D139 L144 L145 R146 V173 L181 K199	Y138-E142 VanDerWaalsContact CD1-OE1 3.31Å; Y138-E142 WeakPolarHBondContact CD1-OE1 3.35Å; D139-E142 PolarHBondContact O-N 3.47Å; E142-L144 VanDerWaalsContact C-N 3.31Å; E142-L144 PolarHBondContact O-N 2.84Å; E142-L145 PolarHBondContact O-N 2.81Å; E142-L145 VanDerWaalsContact O-N 3.16Å; E142-R146 HydrophobicContact CG-CG 4.21Å; E142-R146 WeakPolarHBondContact O-CB 3.29Å; E142-R146 WeakPolarHBondContact O-CG 3.47Å; E142-R146 PolarHBondContact O-N 2.98Å; E142-R146 IonicContact OE1-CZ 3.59Å; E142-R146 IonicContact OE1-NE 2.73Å; E142-R146 PolarHBondContact OE1-NE 3.25Å; E142-R146 IonicContact OE1-NH2 3.64Å; E142-R146 PolarHBondContact OE1-NH2 3.13Å; E142-V173 HydrophobicContact CB-CG1 3.8Å; E142-V173 HydrophobicContact CG-CG1 3.85Å; E142-V173 HydrophobicContact CG-CG2 4.38Å; E142-L181 HydrophobicContact CG-CD1 4.39Å; E142-K199 IonicContact OE1-NZ 3.78Å; E142-K199 PolarHBondContact OE1-NZ 3.4Å; E142-K199 WeakPolarHBondContact OE2-CD 3.13Å; E142-K199 IonicContact OE2-NZ 2.66Å; E142-K199 PolarHBondContact OE2-NZ 3.48Å
143	K	92.9	Very high	89.1	Confident	54 Å²	54	54 Å²	54	24%	0.235	30%	0.302	C	S	.	.	H	α-helix	trans	-53.9	-47.1	175	-64.3	178.3	-154.3	-166.3	0	112.2	L130 S135 Y138 D139 G141 L145 R146 C147	L130-K143 HydrophobicContact CD1-CB 4.25Å; L130-K143 HydrophobicContact CD1-CG 4.24Å; S135-K143 WeakPolarHBondContact O-CE 3.41Å; S135-K143 PolarHBondContact O-NZ 3.2Å; S135-K143 PolarHBondContact OG-NZ 3.49Å; Y138-K143 WeakPolarHBondContact O-CE 3.45Å; D139-K143 WeakPolarHBondContact O-CG 3.37Å; D139-K143 PolarHBondContact O-N 2.9Å; G141-K143 PolarHBondContact O-N 2.83Å; K143-L145 VanDerWaalsContact C-N 3.33Å; K143-L145 PolarHBondContact O-N 3.38Å; K143-R146 PolarHBondContact O-N 3.33Å; K143-C147 PolarHBondContact O-N 3.49Å; K143-C147 PolarHBondContact O-SG 2.7Å
144	L	93.9	Very high	90.4	Very high	100 Å²	100	52.7 Å²	52.7	52%	0.524	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-40.1	-178.8	-178.4	60.4	0	0	0	111	K140 G141 E142 K148	K140-L144 PolarHBondContact O-N 3.35Å; G141-L144 PolarHBondContact O-N 3.42Å; E142-L144 VanDerWaalsContact C-N 3.31Å; E142-L144 PolarHBondContact O-N 2.84Å; L144-K148 HydrophobicContact CD1-CG 4.43Å; L144-K148 HydrophobicContact CG-CD 4.39Å; L144-K148 WeakPolarHBondContact O-CB 3.37Å; L144-K148 VanDerWaalsContact O-CG 3.28Å; L144-K148 WeakPolarHBondContact O-CG 3.31Å; L144-K148 PolarHBondContact O-N 3.35Å
145	L	96.5	Very high	91.7	Very high	35 Å²	35	52.3 Å²	52.3	18%	0.183	28%	0.282	C	S	.	.	H	α-helix	trans	-68.7	-40.5	176.5	-66.1	177.7	0	0	0	112.4	G141 E142 K143 K148 L149 V171 V173 L181 V311	G141-L145 WeakPolarHBondContact O-CG 3.41Å; G141-L145 PolarHBondContact O-N 2.94Å; G141-L145 VanDerWaalsContact O-N 3.11Å; E142-L145 PolarHBondContact O-N 2.81Å; E142-L145 VanDerWaalsContact O-N 3.16Å; K143-L145 VanDerWaalsContact C-N 3.33Å; K143-L145 PolarHBondContact O-N 3.38Å; L145-K148 PolarHBondContact O-N 3.39Å; L145-L149 VanDerWaalsContact O-CB 3.3Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 PolarHBondContact O-N 2.82Å; L145-V171 HydrophobicContact CB-CG1 3.98Å; L145-V171 HydrophobicContact CD2-CG2 4.09Å; L145-V173 HydrophobicContact CD1-CB 4.46Å; L145-V173 HydrophobicContact CD1-CG1 4.49Å; L145-L181 HydrophobicContact CB-CD1 4.2Å; L145-V311 HydrophobicContact CD2-CG2 4.39Å
146	R	96.4	Very high	92.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.1	-51.1	171.6	-77.2	175.9	170.4	-87.8	1.1	111.3	L130 Y138 E142 K143 K148 L149 A150 L181 A194 L197 D208	L130-R146 HydrophobicContact CD1-CB 4.38Å; Y138-R146 VanDerWaalsContact CE1-CZ 3.5Å; E142-R146 HydrophobicContact CG-CG 4.21Å; E142-R146 WeakPolarHBondContact O-CB 3.29Å; E142-R146 WeakPolarHBondContact O-CG 3.47Å; E142-R146 PolarHBondContact O-N 2.98Å; E142-R146 IonicContact OE1-CZ 3.59Å; E142-R146 IonicContact OE1-NE 2.73Å; E142-R146 PolarHBondContact OE1-NE 3.25Å; E142-R146 IonicContact OE1-NH2 3.64Å; E142-R146 PolarHBondContact OE1-NH2 3.13Å; K143-R146 PolarHBondContact O-N 3.33Å; R146-K148 PolarHBondContact O-N 3.03Å; R146-L149 PolarHBondContact O-N 3.44Å; R146-A150 VanDerWaalsContact O-CB 3.27Å; R146-A150 WeakPolarHBondContact O-CB 3.43Å; R146-A150 PolarHBondContact O-N 2.93Å; R146-L181 HydrophobicContact CB-CD1 4.41Å; R146-L181 HydrophobicContact CG-CD1 3.56Å; R146-L181 HydrophobicContact CG-CD2 3.99Å; R146-L181 HydrophobicContact CG-CG 4.44Å; R146-A194 HydrophobicContact CB-CB 4Å; R146-A194 WeakPolarHBondContact CD-O 3.45Å; R146-A194 PolarHBondContact NH1-O 3.15Å; R146-L197 HydrophobicContact CB-CD1 4.2Å; R146-L197 HydrophobicContact CG-CD1 4.37Å; R146-L197 PolarHBondContact NH1-O 2.97Å; R146-L197 VanDerWaalsContact O-CD1 3.26Å; R146-L197 WeakPolarHBondContact O-CD1 3.11Å; R146-D208 IonicContact NH2-OD1 2.95Å; R146-D208 IonicContact NH2-OD2 3.52Å
147	C	95.9	Very high	93.7	Very high	28 Å²	28	46.2 Å²	46.2	19%	0.189	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-41.5	178.1	-66	0	0	0	0	112.9	N128 K143 A151 A194	N128-C147 VanDerWaalsContact CG-SG 3.59Å; N128-C147 PolarHBondContact OD1-SG 3.42Å; K143-C147 PolarHBondContact O-N 3.49Å; K143-C147 PolarHBondContact O-SG 2.7Å; C147-A151 VanDerWaalsContact O-CB 3.3Å; C147-A151 WeakPolarHBondContact O-CB 3.31Å; C147-A151 PolarHBondContact O-N 2.98Å; C147-A194 HydrophobicContact CB-CB 4.49Å
148	K	97.3	Very high	94.3	Very high	63 Å²	63	49.1 Å²	49.1	27%	0.274	26%	0.257	S	S	.	.	H	α-helix	trans	-65.7	-45.5	176.8	-76.7	-177.5	179.4	-161.2	0	112.5	L144 L145 R146 A151 F152 V311 E312	L144-K148 HydrophobicContact CD1-CG 4.43Å; L144-K148 HydrophobicContact CG-CD 4.39Å; L144-K148 WeakPolarHBondContact O-CB 3.37Å; L144-K148 VanDerWaalsContact O-CG 3.28Å; L144-K148 WeakPolarHBondContact O-CG 3.31Å; L144-K148 PolarHBondContact O-N 3.35Å; L145-K148 PolarHBondContact O-N 3.39Å; R146-K148 PolarHBondContact O-N 3.03Å; K148-A151 PolarHBondContact O-N 3.21Å; K148-F152 PolarHBondContact O-N 3.39Å; K148-V311 HydrophobicContact CB-CB 4.32Å; K148-V311 HydrophobicContact CB-CG1 4.24Å; K148-V311 HydrophobicContact CB-CG2 4.14Å; K148-V311 HydrophobicContact CD-CB 4.4Å; K148-V311 HydrophobicContact CD-CG2 4.29Å; K148-E312 WeakPolarHBondContact CE-OE1 3.32Å; K148-E312 VanDerWaalsContact NZ-CD 3.26Å; K148-E312 IonicContact NZ-OE1 2.64Å; K148-E312 PolarHBondContact NZ-OE1 3.21Å; K148-E312 IonicContact NZ-OE2 3.72Å; K148-E312 PolarHBondContact NZ-OE2 3.2Å; K148-E312 VanDerWaalsContact NZ-OE2 3.09Å
149	L	97.9	Very high	94.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.2	-43.6	179.8	179.6	59	0	0	0	111.1	L145 R146 A151 F152 Y153 L169 V171 L181 L197	L145-L149 VanDerWaalsContact O-CB 3.3Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 PolarHBondContact O-N 2.82Å; R146-L149 PolarHBondContact O-N 3.44Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 3.33Å; L149-F152 WeakPolarHBondContact O-CB 3.21Å; L149-F152 PolarHBondContact O-N 3.11Å; L149-F152 VanDerWaalsContact O-N 3.12Å; L149-Y153 HydrophobicContact CD1-CD2 3.98Å; L149-Y153 HydrophobicContact CD1-CE2 3.67Å; L149-Y153 HydrophobicContact CD2-CE2 4.13Å; L149-Y153 HydrophobicContact CG-CD2 3.9Å; L149-Y153 HydrophobicContact CG-CE2 3.67Å; L149-Y153 VanDerWaalsContact O-CD2 3.26Å; L149-Y153 WeakPolarHBondContact O-CD2 3.38Å; L149-Y153 PolarHBondContact O-N 2.85Å; L149-L169 HydrophobicContact CD1-CB 3.72Å; L149-L169 HydrophobicContact CD1-CD2 4.45Å; L149-V171 HydrophobicContact CB-CG1 4.23Å; L149-V171 HydrophobicContact CD2-CG1 4.02Å; L149-L181 HydrophobicContact CD2-CB 3.71Å; L149-L181 WeakPolarHBondContact CD2-O 3.34Å; L149-L197 HydrophobicContact CB-CD1 4Å; L149-L197 HydrophobicContact CD2-CD1 4.1Å; L149-L197 HydrophobicContact CD2-CD2 3.93Å; L149-L197 HydrophobicContact CG-CD1 4.12Å; L149-L197 HydrophobicContact CG-CD2 4.16Å
150	A	96.8	Very high	94.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-37.7	174.1	0	0	0	0	0	112.2	V127 R146 Y153 R154 V192 T193 L197	V127-A150 HydrophobicContact CG1-CB 3.68Å; R146-A150 VanDerWaalsContact O-CB 3.27Å; R146-A150 WeakPolarHBondContact O-CB 3.43Å; R146-A150 PolarHBondContact O-N 2.93Å; A150-Y153 PolarHBondContact O-N 2.78Å; A150-R154 PolarHBondContact O-N 3.36Å; A150-R154 VanDerWaalsContact O-N 3.09Å; A150-V192 HydrophobicContact CB-CG1 4.13Å; A150-T193 VanDerWaalsContact CB-C 3.45Å; A150-L197 HydrophobicContact CB-CD1 4.22Å
151	A	97.2	Very high	94.8	Very high	37 Å²	37	40.7 Å²	40.7	31%	0.306	23%	0.232	S	C	.	.	H	α-helix	trans	-65.4	-39.3	172.9	0	0	0	0	0	112.3	V127 C147 K148 L149 R154 L155	V127-A151 HydrophobicContact CG1-CB 4.09Å; C147-A151 VanDerWaalsContact O-CB 3.3Å; C147-A151 WeakPolarHBondContact O-CB 3.31Å; C147-A151 PolarHBondContact O-N 2.98Å; K148-A151 PolarHBondContact O-N 3.21Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 3.33Å; A151-R154 PolarHBondContact O-N 3.11Å; A151-L155 WeakPolarHBondContact O-CG 3.47Å; A151-L155 PolarHBondContact O-N 2.92Å
152	F	97.8	Very high	94.6	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.022	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-45.3	173.4	-159.9	162.8	0	0	0	110.8	K148 L149 R154 L155 A156 W161 L169 V238 V311 A314 F315 I318	K148-F152 PolarHBondContact O-N 3.39Å; L149-F152 WeakPolarHBondContact O-CB 3.21Å; L149-F152 PolarHBondContact O-N 3.11Å; L149-F152 VanDerWaalsContact O-N 3.12Å; F152-R154 VanDerWaalsContact C-N 3.32Å; F152-R154 PolarHBondContact O-N 3.35Å; F152-L155 PolarHBondContact O-N 3.48Å; F152-A156 PolarHBondContact O-N 3.27Å; F152-W161 HydrophobicContact CE2-CZ3 4.45Å; F152-L169 HydrophobicContact CB-CD2 3.94Å; F152-L169 HydrophobicContact CD1-CD2 3.76Å; F152-L169 HydrophobicContact CD2-CD2 3.42Å; F152-L169 VanDerWaalsContact CD2-CD2 3.42Å; F152-L169 HydrophobicContact CE1-CD2 4.09Å; F152-L169 HydrophobicContact CE2-CD2 3.73Å; F152-L169 HydrophobicContact CG-CD2 3.42Å; F152-L169 VanDerWaalsContact CG-CD2 3.42Å; F152-L169 HydrophobicContact CZ-CD2 4.07Å; F152-V238 HydrophobicContact CD1-CG2 4.34Å; F152-V238 HydrophobicContact CE1-CG2 3.32Å; F152-V238 HydrophobicContact CE2-CG1 4.48Å; F152-V238 HydrophobicContact CE2-CG2 4.42Å; F152-V238 HydrophobicContact CZ-CB 4.3Å; F152-V238 HydrophobicContact CZ-CG1 4.02Å; F152-V238 HydrophobicContact CZ-CG2 3.37Å; F152-V311 HydrophobicContact CB-CG1 4.42Å; F152-V311 HydrophobicContact CD1-CG1 3.66Å; F152-V311 HydrophobicContact CE1-CG1 4.44Å; F152-A314 HydrophobicContact CE1-CB 4.43Å; F152-F315 HydrophobicContact CD1-CB 4.36Å; F152-F315 AromaticContact CD2-CD2 3.84Å; F152-F315 HydrophobicContact CD2-CD2 3.84Å; F152-F315 HydrophobicContact CE1-CB 3.78Å; F152-F315 HydrophobicContact CE1-CD2 4.49Å; F152-F315 HydrophobicContact CE2-CB 4.3Å; F152-F315 AromaticContact CE2-CD2 3.55Å; F152-F315 HydrophobicContact CE2-CD2 3.55Å; F152-F315 HydrophobicContact CE2-CE2 4.38Å; F152-F315 HydrophobicContact CE2-CG 4.4Å; F152-F315 HydrophobicContact CG-CD2 4.48Å; F152-F315 VanDerWaalsContact CZ-CA 3.49Å; F152-F315 HydrophobicContact CZ-CB 3.76Å; F152-F315 AromaticContact CZ-CD2 3.89Å; F152-F315 HydrophobicContact CZ-CD2 3.89Å; F152-F315 HydrophobicContact CZ-CG 4.32Å; F152-I318 HydrophobicContact CE2-CG2 4.12Å; F152-I318 HydrophobicContact CZ-CG2 3.84Å
153	Y	96.7	Very high	94.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-53.8	-46	173.5	-83.3	-71.8	0	0	0	112.3	L149 A150 L155 A156 D157 L169 V183 Y189 V192 L197	L149-Y153 HydrophobicContact CD1-CD2 3.98Å; L149-Y153 HydrophobicContact CD1-CE2 3.67Å; L149-Y153 HydrophobicContact CD2-CE2 4.13Å; L149-Y153 HydrophobicContact CG-CD2 3.9Å; L149-Y153 HydrophobicContact CG-CE2 3.67Å; L149-Y153 VanDerWaalsContact O-CD2 3.26Å; L149-Y153 WeakPolarHBondContact O-CD2 3.38Å; L149-Y153 PolarHBondContact O-N 2.85Å; A150-Y153 PolarHBondContact O-N 2.78Å; Y153-L155 PolarHBondContact O-N 3.07Å; Y153-A156 PolarHBondContact O-N 3.17Å; Y153-D157 PolarHBondContact O-N 2.68Å; Y153-D157 VanDerWaalsContact O-N 3.15Å; Y153-L169 HydrophobicContact CD1-CD1 4.4Å; Y153-L169 HydrophobicContact CE1-CB 4.11Å; Y153-L169 HydrophobicContact CE1-CD1 4.03Å; Y153-L169 HydrophobicContact CE2-CB 4.03Å; Y153-L169 PolarHBondContact OH-N 2.93Å; Y153-L169 PolarHBondContact OH-O 3.47Å; Y153-V183 HydrophobicContact CD1-CB 4.5Å; Y153-V183 HydrophobicContact CE1-CB 3.75Å; Y153-V183 HydrophobicContact CE1-CG1 3.75Å; Y153-V183 HydrophobicContact CE1-CG2 4.47Å; Y153-V183 HydrophobicContact CE2-CB 3.96Å; Y153-V183 VanDerWaalsContact CZ-CB 3.44Å; Y153-V183 VanDerWaalsContact OH-CB 3.32Å; Y153-V183 WeakPolarHBondContact OH-CB 3.38Å; Y153-V183 VanDerWaalsContact OH-CG1 3.23Å; Y153-V183 WeakPolarHBondContact OH-CG1 3.46Å; Y153-V183 PolarHBondContact OH-N 3.19Å; Y153-Y189 AromaticContact CD1-CD1 3.75Å; Y153-Y189 HydrophobicContact CD1-CD1 3.75Å; Y153-Y189 AromaticContact CD1-CD2 3.76Å; Y153-Y189 HydrophobicContact CD1-CD2 3.76Å; Y153-Y189 AromaticContact CD1-CE1 3.63Å; Y153-Y189 HydrophobicContact CD1-CE1 3.63Å; Y153-Y189 AromaticContact CD1-CE2 3.63Å; Y153-Y189 HydrophobicContact CD1-CE2 3.63Å; Y153-Y189 AromaticContact CD1-CG 3.79Å; Y153-Y189 HydrophobicContact CD1-CG 3.79Å; Y153-Y189 AromaticContact CD1-CZ 3.53Å; Y153-Y189 HydrophobicContact CE1-CD1 4.05Å; Y153-Y189 HydrophobicContact CE1-CD2 4.46Å; Y153-Y189 AromaticContact CE1-CE1 3.48Å; Y153-Y189 HydrophobicContact CE1-CE1 3.48Å; Y153-Y189 VanDerWaalsContact CE1-CE1 3.48Å; Y153-Y189 AromaticContact CE1-CE2 3.94Å; Y153-Y189 HydrophobicContact CE1-CE2 3.94Å; Y153-Y189 HydrophobicContact CE1-CG 4.49Å; Y153-Y189 AromaticContact CE1-CZ 3.38Å; Y153-Y189 WeakPolarHBondContact CE1-OH 3.22Å; Y153-V192 HydrophobicContact CD1-CG2 4.27Å; Y153-V192 HydrophobicContact CD2-CG1 3.92Å; Y153-V192 HydrophobicContact CG-CB 4.3Å; Y153-V192 HydrophobicContact CG-CG1 4.11Å; Y153-V192 HydrophobicContact CG-CG2 4.01Å; Y153-L197 HydrophobicContact CD2-CD2 4.13Å; Y153-L197 HydrophobicContact CE2-CD2 3.83Å
154	R	93.9	Very high	93.8	Very high	54 Å²	54	46.6 Å²	46.6	20%	0.204	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-35.7	173.8	-62.2	-41.6	-172.7	89.5	10	114	T125 V127 A150 A151 F152 D157 L158 Y189 S190 V192	T125-R154 PolarHBondContact O-NH2 3.07Å; T125-R154 VanDerWaalsContact O-NH2 3.16Å; V127-R154 HydrophobicContact CG2-CG 3.61Å; A150-R154 PolarHBondContact O-N 3.36Å; A150-R154 VanDerWaalsContact O-N 3.09Å; A151-R154 PolarHBondContact O-N 3.11Å; F152-R154 VanDerWaalsContact C-N 3.32Å; F152-R154 PolarHBondContact O-N 3.35Å; R154-D157 PolarHBondContact O-N 2.8Å; R154-L158 WeakPolarHBondContact O-CB 3.24Å; R154-L158 PolarHBondContact O-N 3.12Å; R154-Y189 WeakPolarHBondContact CD-O 3.34Å; R154-S190 PolarHBondContact NE-O 3.47Å; R154-S190 PolarHBondContact NH1-O 3.09Å; R154-V192 PolarHBondContact NE-O 2.78Å; R154-V192 PolarHBondContact NH2-O 3.5Å
155	L	95.5	Very high	93.4	Very high	66 Å²	66	42.8 Å²	42.8	35%	0.346	24%	0.236	S	C	.	.	H	α-helix	trans	-68.8	-44.1	177.1	-74.8	171.2	0	0	0	111.5	A151 F152 Y153 D157 L158 F159 F315	A151-L155 WeakPolarHBondContact O-CG 3.47Å; A151-L155 PolarHBondContact O-N 2.92Å; F152-L155 PolarHBondContact O-N 3.48Å; Y153-L155 PolarHBondContact O-N 3.07Å; L155-D157 PolarHBondContact O-N 2.56Å; L155-L158 HydrophobicContact CD2-CD2 4.36Å; L155-L158 PolarHBondContact O-N 2.8Å; L155-L158 VanDerWaalsContact O-N 3.13Å; L155-F159 HydrophobicContact CB-CD2 4.31Å; L155-F159 HydrophobicContact CB-CE2 4.09Å; L155-F159 HydrophobicContact CD2-CE2 4.1Å; L155-F159 WeakPolarHBondContact O-CD2 3.15Å; L155-F159 PolarHBondContact O-N 3.26Å; L155-F315 HydrophobicContact CB-CE2 4.25Å; L155-F315 HydrophobicContact CD1-CE2 4.19Å
156	A	94.9	Very high	92.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.7	-34.9	176	0	0	0	0	0	111.7	F152 Y153 G160 W161 Y189	F152-A156 PolarHBondContact O-N 3.27Å; Y153-A156 PolarHBondContact O-N 3.17Å; A156-G160 PolarHBondContact O-N 2.84Å; A156-W161 HydrophobicContact CB-CB 4.44Å; A156-W161 HydrophobicContact CB-CE3 4.08Å; A156-W161 WeakPolarHBondContact O-CA 3.42Å; A156-W161 WeakPolarHBondContact O-CB 3.45Å; A156-W161 PolarHBondContact O-N 3.43Å; A156-Y189 HydrophobicContact CB-CD2 3.87Å; A156-Y189 HydrophobicContact CB-CE2 3.98Å
157	D	92.3	Very high	92.6	Very high	53 Å²	53	43.8 Å²	43.8	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-67.1	-47.9	170.2	-161.3	68.8	0	0	0	112.6	Y153 R154 L155 F159 G160 S162 S190	Y153-D157 PolarHBondContact O-N 2.68Å; Y153-D157 VanDerWaalsContact O-N 3.15Å; R154-D157 PolarHBondContact O-N 2.8Å; L155-D157 PolarHBondContact O-N 2.56Å; D157-F159 VanDerWaalsContact C-N 3.29Å; D157-F159 PolarHBondContact O-N 2.81Å; D157-G160 PolarHBondContact O-N 3.45Å; D157-S162 WeakPolarHBondContact OD1-CB 3.38Å; D157-S162 PolarHBondContact OD1-OG 3.47Å; D157-S190 VanDerWaalsContact OD2-CB 3.27Å; D157-S190 WeakPolarHBondContact OD2-CB 3.01Å
158	L	92.3	Very high	92.3	Very high	134 Å²	134	43 Å²	43	70%	0.702	23%	0.231	S	C	*	.	H	α-helix	trans	-60.2	-34.4	179.1	-178.9	64	0	0	0	113.3	R154 L155 G160	R154-L158 WeakPolarHBondContact O-CB 3.24Å; R154-L158 PolarHBondContact O-N 3.12Å; L155-L158 HydrophobicContact CD2-CD2 4.36Å; L155-L158 PolarHBondContact O-N 2.8Å; L155-L158 VanDerWaalsContact O-N 3.13Å; L158-G160 VanDerWaalsContact C-N 3.3Å
159	F	92.4	Very high	92.3	Very high	90 Å²	90	40 Å²	40	40%	0.395	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.3	174.2	-65.4	-61.1	0	0	0	113.7	L155 D157 W161 F315	L155-F159 HydrophobicContact CB-CD2 4.31Å; L155-F159 HydrophobicContact CB-CE2 4.09Å; L155-F159 HydrophobicContact CD2-CE2 4.1Å; L155-F159 WeakPolarHBondContact O-CD2 3.15Å; L155-F159 PolarHBondContact O-N 3.26Å; D157-F159 VanDerWaalsContact C-N 3.29Å; D157-F159 PolarHBondContact O-N 2.81Å; F159-W161 HydrophobicContact CB-CD2 3.79Å; F159-W161 VanDerWaalsContact CB-CE2 3.43Å; F159-W161 HydrophobicContact CB-CE3 4.4Å; F159-W161 HydrophobicContact CB-CG 4.1Å; F159-W161 HydrophobicContact CB-CH2 4.38Å; F159-W161 HydrophobicContact CB-CZ2 3.77Å; F159-W161 HydrophobicContact CD2-CE3 4.49Å; F159-W161 AromaticContact CD2-CH2 3.76Å; F159-W161 HydrophobicContact CD2-CH2 3.76Å; F159-W161 AromaticContact CD2-CZ2 3.93Å; F159-W161 HydrophobicContact CD2-CZ2 3.93Å; F159-W161 HydrophobicContact CD2-CZ3 4.06Å; F159-W161 HydrophobicContact CE2-CH2 4.39Å; F159-W161 HydrophobicContact CG-CH2 4.2Å; F159-W161 AromaticContact CG-CZ2 3.88Å; F159-W161 HydrophobicContact CG-CZ2 3.88Å; F159-F315 HydrophobicContact CD2-CE2 4.27Å; F159-F315 HydrophobicContact CD2-CZ 4.42Å; F159-F315 AromaticContact CE2-CE2 3.75Å; F159-F315 HydrophobicContact CE2-CE2 3.75Å; F159-F315 AromaticContact CE2-CZ 3.59Å; F159-F315 HydrophobicContact CE2-CZ 3.59Å; F159-F315 HydrophobicContact CZ-CZ 4.18Å
160	G	91.3	Very high	92.2	Very high	61 Å²	61	40 Å²	40	63%	0.629	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	27.4	-179.6	0	0	0	0	0	114.1	A156 D157 L158	A156-G160 PolarHBondContact O-N 2.84Å; D157-G160 PolarHBondContact O-N 3.45Å; L158-G160 VanDerWaalsContact C-N 3.3Å
161	W	93.6	Very high	92.3	Very high	13 Å²	13	40.1 Å²	40.1	5%	0.049	22%	0.219	C	C	.	.			trans	-92.7	4.3	176.9	-51.7	-20.6	0	0	0	113.1	F152 A156 F159 E163 N167 I240 T242 F315 I318 H319	F152-W161 HydrophobicContact CE2-CZ3 4.45Å; A156-W161 HydrophobicContact CB-CB 4.44Å; A156-W161 HydrophobicContact CB-CE3 4.08Å; A156-W161 WeakPolarHBondContact O-CA 3.42Å; A156-W161 WeakPolarHBondContact O-CB 3.45Å; A156-W161 PolarHBondContact O-N 3.43Å; F159-W161 HydrophobicContact CB-CD2 3.79Å; F159-W161 VanDerWaalsContact CB-CE2 3.43Å; F159-W161 HydrophobicContact CB-CE3 4.4Å; F159-W161 HydrophobicContact CB-CG 4.1Å; F159-W161 HydrophobicContact CB-CH2 4.38Å; F159-W161 HydrophobicContact CB-CZ2 3.77Å; F159-W161 HydrophobicContact CD2-CE3 4.49Å; F159-W161 AromaticContact CD2-CH2 3.76Å; F159-W161 HydrophobicContact CD2-CH2 3.76Å; F159-W161 AromaticContact CD2-CZ2 3.93Å; F159-W161 HydrophobicContact CD2-CZ2 3.93Å; F159-W161 HydrophobicContact CD2-CZ3 4.06Å; F159-W161 HydrophobicContact CE2-CH2 4.39Å; F159-W161 HydrophobicContact CG-CH2 4.2Å; F159-W161 AromaticContact CG-CZ2 3.88Å; F159-W161 HydrophobicContact CG-CZ2 3.88Å; W161-E163 PolarHBondContact O-N 3.35Å; W161-N167 PolarHBondContact O-ND2 3.08Å; W161-I240 HydrophobicContact CB-CD1 4.11Å; W161-I240 HydrophobicContact CD2-CD1 4.18Å; W161-I240 HydrophobicContact CE3-CD1 4.16Å; W161-I240 HydrophobicContact CG-CD1 4.18Å; W161-T242 HydrophobicContact CB-CG2 4.12Å; W161-T242 HydrophobicContact CG-CG2 4.14Å; W161-F315 HydrophobicContact CH2-CE2 4.07Å; W161-F315 HydrophobicContact CH2-CZ 4.38Å; W161-F315 HydrophobicContact CZ3-CE2 4.04Å; W161-I318 HydrophobicContact CE3-CG2 4.36Å; W161-I318 HydrophobicContact CH2-CG2 4.24Å; W161-I318 HydrophobicContact CZ3-CG2 3.7Å; W161-H319 HydrophobicContact CH2-CB 3.89Å; W161-H319 AromaticContact CH2-CD2 3.89Å; W161-H319 HydrophobicContact CZ2-CB 4.47Å
162	S	86.4	Confident	92.3	Very high	37 Å²	37	38.8 Å²	38.8	26%	0.259	21%	0.206	S	C	.	.			trans	-85	104.7	-177.6	42.5	0	0	0	0	112.5	D157 L164	D157-S162 WeakPolarHBondContact OD1-CB 3.38Å; D157-S162 PolarHBondContact OD1-OG 3.47Å; S162-L164 VanDerWaalsContact C-N 3.31Å; S162-L164 PolarHBondContact O-N 3.43Å
163	E	83.4	Confident	92.1	Very high	88 Å²	88	40.2 Å²	40.2	41%	0.411	22%	0.215	S	C	.	.			trans	-81.8	76.6	167.7	-166.1	-172.2	-157.9	0	0	110.5	W161 I165 Y166 N167 H241	W161-E163 PolarHBondContact O-N 3.35Å; E163-I165 PolarHBondContact O-N 2.87Å; E163-Y166 PolarHBondContact O-N 3.17Å; E163-N167 PolarHBondContact N-ND2 3.49Å; E163-N167 VanDerWaalsContact N-ND2 3.17Å; E163-H241 HydrophobicContact CB-CB 4.43Å; E163-H241 IonicContact OE2-CE1 2.77Å; E163-H241 IonicContact OE2-CG 2.7Å; E163-H241 IonicContact OE2-ND1 3.17Å; E163-H241 PolarHBondContact OE2-ND1 3.08Å
164	L	86.9	Confident	91.3	Very high	114 Å²	114	42.6 Å²	42.6	60%	0.597	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	-96.1	-179.9	-60.3	171.7	0	0	0	113	S162 Y166	S162-L164 VanDerWaalsContact C-N 3.31Å; S162-L164 PolarHBondContact O-N 3.43Å; L164-Y166 HydrophobicContact CB-CD2 4.19Å; L164-Y166 HydrophobicContact CB-CE2 4.29Å; L164-Y166 HydrophobicContact CD1-CE2 4.28Å
165	I	86.3	Confident	90.4	Very high	20 Å²	20	42.9 Å²	42.9	10%	0.103	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	11.9	-176.9	64.7	170.8	0	0	0	112.6	E163 F185 L188	E163-I165 PolarHBondContact O-N 2.87Å; I165-F185 HydrophobicContact CD1-CD2 4.37Å; I165-F185 HydrophobicContact CD1-CE2 3.72Å; I165-F185 HydrophobicContact CD1-CZ 3.93Å; I165-F185 HydrophobicContact CG1-CE2 4.02Å; I165-L188 HydrophobicContact CG2-CD2 4.03Å
166	Y	84.7	Confident	89.7	Confident	56 Å²	56	47 Å²	47	22%	0.22	26%	0.26	C	S	.	.			trans	-104.9	-16.2	-165.7	-62.9	-72.2	0	0	0	115.8	E163 L164 H168 K370	E163-Y166 PolarHBondContact O-N 3.17Å; L164-Y166 HydrophobicContact CB-CD2 4.19Å; L164-Y166 HydrophobicContact CB-CE2 4.29Å; L164-Y166 HydrophobicContact CD1-CE2 4.28Å; Y166-H168 PolarHBondContact O-CE1 3.18Å; Y166-H168 PolarHBondContact O-ND1 3.48Å; Y166-H168 PolarHBondContact O-NE2 3.26Å; Y166-K370 HydrophobicContact CE1-CD 4.46Å; Y166-K370 VanDerWaalsContact OH-CD 3.31Å; Y166-K370 WeakPolarHBondContact OH-CD 3.3Å; Y166-K370 WeakPolarHBondContact OH-CE 3.32Å; Y166-K370 PolarHBondContact OH-NZ 2.85Å
167	N	90.6	Very high	89.1	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.287	C	S	.	.			trans	-78.1	160.3	174.2	-71.6	-21	0	0	0	111.2	W161 E163 Y189 I240 H241	W161-N167 PolarHBondContact O-ND2 3.08Å; E163-N167 PolarHBondContact N-ND2 3.49Å; E163-N167 VanDerWaalsContact N-ND2 3.17Å; N167-Y189 HydrophobicContact CB-CE1 4.43Å; N167-Y189 HydrophobicContact CB-CE2 4.34Å; N167-Y189 WeakPolarHBondContact CB-OH 3.38Å; N167-Y189 PolarHBondContact O-OH 3.26Å; N167-I240 HydrophobicContact CB-CG2 4.23Å; N167-H241 PolarHBondContact OD1-N 2.97Å; N167-H241 PolarHBondContact OD1-ND1 2.85Å
168	H	89.8	Confident	89	Confident	12 Å²	12	53.4 Å²	53.4	6%	0.056	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.7	-176.7	-48.6	96.5	0	0	0	112.4	Y166 Y189 N217 G220 H224 H239	Y166-H168 PolarHBondContact O-CE1 3.18Å; Y166-H168 PolarHBondContact O-ND1 3.48Å; Y166-H168 PolarHBondContact O-NE2 3.26Å; H168-Y189 PolarHBondContact N-OH 3.07Å; H168-N217 PolarHBondContact NE2-ND2 3.49Å; H168-G220 VanDerWaalsContact CE1-CA 3.47Å; H168-G220 WeakPolarHBondContact CE1-CA 3.38Å; H168-H224 PolarHBondContact O-CE1 2.96Å; H168-H239 PolarHBondContact N-O 3.37Å; H168-H239 VanDerWaalsContact N-O 3.09Å; H168-H239 AromaticContact ND1-CD2 3.85Å; H168-H239 PolarHBondContact O-N 2.77Å
169	L	96.8	Very high	89.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.7	169.3	-74.4	72.5	0	0	0	107.8	L149 F152 Y153 Y189 V238 I240	L149-L169 HydrophobicContact CD1-CB 3.72Å; L149-L169 HydrophobicContact CD1-CD2 4.45Å; F152-L169 HydrophobicContact CB-CD2 3.94Å; F152-L169 HydrophobicContact CD1-CD2 3.76Å; F152-L169 HydrophobicContact CD2-CD2 3.42Å; F152-L169 VanDerWaalsContact CD2-CD2 3.42Å; F152-L169 HydrophobicContact CE1-CD2 4.09Å; F152-L169 HydrophobicContact CE2-CD2 3.73Å; F152-L169 HydrophobicContact CG-CD2 3.42Å; F152-L169 VanDerWaalsContact CG-CD2 3.42Å; F152-L169 HydrophobicContact CZ-CD2 4.07Å; Y153-L169 HydrophobicContact CD1-CD1 4.4Å; Y153-L169 HydrophobicContact CE1-CB 4.11Å; Y153-L169 HydrophobicContact CE1-CD1 4.03Å; Y153-L169 HydrophobicContact CE2-CB 4.03Å; Y153-L169 PolarHBondContact OH-N 2.93Å; Y153-L169 PolarHBondContact OH-O 3.47Å; L169-Y189 HydrophobicContact CD1-CE2 3.76Å; L169-Y189 WeakPolarHBondContact CD1-OH 3.23Å; L169-V238 HydrophobicContact CD1-CG1 4.31Å; L169-V238 HydrophobicContact CD2-CG2 4.46Å; L169-V238 HydrophobicContact CG-CB 4.41Å; L169-V238 HydrophobicContact CG-CG1 4Å; L169-V238 HydrophobicContact CG-CG2 4.18Å; L169-I240 HydrophobicContact CD1-CG2 4.41Å
170	T	97.8	Very high	89.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.5	179.4	59.4	0	0	0	0	112	L181 I182 F221 H224 Y228 C236 I237	T170-L181 VanDerWaalsContact CA-O 3.23Å; T170-L181 WeakPolarHBondContact CA-O 3.48Å; T170-I182 HydrophobicContact CG2-CB 4.17Å; T170-I182 HydrophobicContact CG2-CD1 3.88Å; T170-I182 HydrophobicContact CG2-CG1 3.98Å; T170-F221 HydrophobicContact CG2-CD2 4.09Å; T170-F221 HydrophobicContact CG2-CE2 4.14Å; T170-H224 HydrophobicContact CG2-CB 4.31Å; T170-H224 WeakPolarHBondContact CG2-ND1 3.36Å; T170-H224 PolarHBondContact OG1-ND1 2.81Å; T170-Y228 VanDerWaalsContact C-OH 3.3Å; T170-Y228 WeakPolarHBondContact CB-OH 3.32Å; T170-Y228 PolarHBondContact O-OH 3.44Å; T170-Y228 WeakPolarHBondContact OG1-CE2 3.44Å; T170-Y228 PolarHBondContact OG1-OH 3.16Å; T170-C236 VanDerWaalsContact O-CA 3.31Å; T170-C236 WeakPolarHBondContact O-CA 3.46Å; T170-C236 PolarHBondContact O-SG 3.39Å; T170-I237 PolarHBondContact N-O 3.45Å; T170-I237 PolarHBondContact O-N 3.02Å; T170-I237 VanDerWaalsContact O-N 3.1Å
171	V	97.8	Very high	89.7	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.5	166.1	76.3	0	0	0	0	113	L145 L149 V173 F180 L181 K235 C236 V311	L145-V171 HydrophobicContact CB-CG1 3.98Å; L145-V171 HydrophobicContact CD2-CG2 4.09Å; L149-V171 HydrophobicContact CB-CG1 4.23Å; L149-V171 HydrophobicContact CD2-CG1 4.02Å; V171-V173 PolarHBondContact O-N 3.29Å; V171-F180 CarbonylContact O-C 3.54Å; V171-F180 WeakPolarHBondContact O-CA 3.26Å; V171-L181 HydrophobicContact CG1-CB 4.19Å; V171-L181 HydrophobicContact CG1-CD1 4.06Å; V171-L181 PolarHBondContact N-O 2.88Å; V171-L181 PolarHBondContact O-N 3.39Å; V171-K235 CarbonylContact C-O 3.56Å; V171-K235 VanDerWaalsContact CA-O 3.29Å; V171-K235 WeakPolarHBondContact CA-O 3.38Å; V171-C236 HydrophobicContact CG2-CB 4.23Å; V171-V311 HydrophobicContact CB-CG2 4.42Å; V171-V311 HydrophobicContact CG2-CG2 3.8Å
172	R	96.7	Very high	89.8	Confident	9 Å²	9	42.7 Å²	42.7	3%	0.034	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	116.2	173.2	-166.4	-170.2	-66.3	-107.4	11.3	108.8	S175 E178 R179 F180 Y228 R231 A234 K235	R172-S175 WeakPolarHBondContact CD-OG 3.47Å; R172-E178 IonicContact NH1-OE1 2.81Å; R172-E178 PolarHBondContact NH1-OE1 3.45Å; R172-R179 CarbonylContact C-O 3.57Å; R172-R179 WeakPolarHBondContact CA-O 3.33Å; R172-F180 HydrophobicContact CB-CD1 3.81Å; R172-F180 HydrophobicContact CB-CE1 3.77Å; R172-F180 HydrophobicContact CG-CD1 4.05Å; R172-F180 HydrophobicContact CG-CE1 3.61Å; R172-F180 HydrophobicContact CG-CZ 4.42Å; R172-Y228 HydrophobicContact CB-CE1 4.21Å; R172-Y228 PolarHBondContact NH2-O 3.39Å; R172-R231 PolarHBondContact NH2-O 3.35Å; R172-A234 PolarHBondContact NE-O 3.22Å; R172-A234 PolarHBondContact NH2-O 3.47Å; R172-K235 HydrophobicContact CB-CB 4.44Å; R172-K235 PolarHBondContact N-O 2.95Å
173	V	93.4	Very high	90.2	Very high	36 Å²	36	41.5 Å²	41.5	22%	0.218	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-45.3	-180	-178.8	0	0	0	0	111.1	E142 L145 V171 R179 L181	E142-V173 HydrophobicContact CB-CG1 3.8Å; E142-V173 HydrophobicContact CG-CG1 3.85Å; E142-V173 HydrophobicContact CG-CG2 4.38Å; L145-V173 HydrophobicContact CD1-CB 4.46Å; L145-V173 HydrophobicContact CD1-CG1 4.49Å; V171-V173 PolarHBondContact O-N 3.29Å; V173-R179 PolarHBondContact N-O 3.18Å; V173-L181 HydrophobicContact CG2-CD1 3.57Å; V173-L181 HydrophobicContact CG2-CD2 4.43Å; V173-L181 HydrophobicContact CG2-CG 3.52Å
174	N	80.5	Confident	90.7	Very high	49 Å²	49	37.3 Å²	37.3	26%	0.262	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	128.1	179.9	-174.3	-5.8	0	0	0	108.8	D176 Q177 E178 R179	N174-D176 PolarHBondContact OD1-N 3.09Å; N174-Q177 HydrophobicContact CB-CB 4.36Å; N174-Q177 VanDerWaalsContact ND2-CD 3.33Å; N174-Q177 WeakPolarHBondContact ND2-CG 3.39Å; N174-Q177 PolarHBondContact ND2-OE1 2.83Å; N174-E178 PolarHBondContact O-N 3.12Å; N174-R179 PolarHBondContact O-N 3.42Å
175	S	76.1	Confident	90.9	Very high	60 Å²	60	34.3 Å²	34.3	42%	0.42	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-31	177.8	-62.3	0	0	0	0	113	R172 Q177	R172-S175 WeakPolarHBondContact CD-OG 3.47Å; S175-Q177 VanDerWaalsContact C-N 3.28Å; S175-Q177 PolarHBondContact O-N 3.33Å
176	D	79.4	Confident	90.9	Very high	153 Å²	153	33.6 Å²	33.6	82%	0.818	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-16	-175.4	-54.9	-23.6	0	0	0	112.8	N174	N174-D176 PolarHBondContact OD1-N 3.09Å
177	Q	82.4	Confident	91.1	Very high	118 Å²	118	31.7 Å²	31.7	55%	0.551	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.3	1.4	-176.9	-66.3	-179.8	-12.8	0	0	113.1	N174 S175 R179	N174-Q177 HydrophobicContact CB-CB 4.36Å; N174-Q177 VanDerWaalsContact ND2-CD 3.33Å; N174-Q177 WeakPolarHBondContact ND2-CG 3.39Å; N174-Q177 PolarHBondContact ND2-OE1 2.83Å; S175-Q177 VanDerWaalsContact C-N 3.28Å; S175-Q177 PolarHBondContact O-N 3.33Å; Q177-R179 VanDerWaalsContact C-N 3.31Å; Q177-R179 HydrophobicContact CB-CG 3.83Å; Q177-R179 VanDerWaalsContact O-CD 3.27Å; Q177-R179 WeakPolarHBondContact O-CD 3.14Å; Q177-R179 WeakPolarHBondContact O-CG 3.38Å; Q177-R179 PolarHBondContact O-N 2.87Å
178	E	91.1	Very high	91.2	Very high	69 Å²	69	34.1 Å²	34.1	32%	0.322	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.5	55	-177	-56	-155.9	102.9	0	0	113.6	R172 N174 F180 D201 L202	R172-E178 IonicContact NH1-OE1 2.81Å; R172-E178 PolarHBondContact NH1-OE1 3.45Å; N174-E178 PolarHBondContact O-N 3.12Å; E178-F180 HydrophobicContact CB-CE2 4.06Å; E178-F180 HydrophobicContact CB-CZ 4.14Å; E178-F180 WeakPolarHBondContact O-CD2 3.18Å; E178-F180 WeakPolarHBondContact O-CE2 3.49Å; E178-D201 WeakPolarHBondContact O-CA 3.08Å; E178-L202 HydrophobicContact CB-CB 4.29Å; E178-L202 PolarHBondContact O-N 2.88Å; E178-L202 WeakPolarHBondContact OE2-CD2 3.39Å
179	R	95.1	Very high	91.3	Very high	73 Å²	73	33.6 Å²	33.6	28%	0.275	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.7	177.7	-55.1	-53.1	-162.4	-166.3	9.4	110.6	R172 V173 N174 Q177 K199 I200 D201	R172-R179 CarbonylContact C-O 3.57Å; R172-R179 WeakPolarHBondContact CA-O 3.33Å; V173-R179 PolarHBondContact N-O 3.18Å; N174-R179 PolarHBondContact O-N 3.42Å; Q177-R179 VanDerWaalsContact C-N 3.31Å; Q177-R179 HydrophobicContact CB-CG 3.83Å; Q177-R179 VanDerWaalsContact O-CD 3.27Å; Q177-R179 WeakPolarHBondContact O-CD 3.14Å; Q177-R179 WeakPolarHBondContact O-CG 3.38Å; Q177-R179 PolarHBondContact O-N 2.87Å; R179-K199 HydrophobicContact CB-CG 4.29Å; R179-I200 CarbonylContact C-O 3.57Å; R179-I200 WeakPolarHBondContact CA-O 3.36Å; R179-D201 IonicContact NH1-OD2 2.68Å
180	F	97.1	Very high	91	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.6	-175.4	-50.3	-82.7	0	0	0	110.8	V171 R172 E178 K199 I200 L202 F221 Y228	V171-F180 CarbonylContact O-C 3.54Å; V171-F180 WeakPolarHBondContact O-CA 3.26Å; R172-F180 HydrophobicContact CB-CD1 3.81Å; R172-F180 HydrophobicContact CB-CE1 3.77Å; R172-F180 HydrophobicContact CG-CD1 4.05Å; R172-F180 HydrophobicContact CG-CE1 3.61Å; R172-F180 HydrophobicContact CG-CZ 4.42Å; E178-F180 HydrophobicContact CB-CE2 4.06Å; E178-F180 HydrophobicContact CB-CZ 4.14Å; E178-F180 WeakPolarHBondContact O-CD2 3.18Å; E178-F180 WeakPolarHBondContact O-CE2 3.49Å; F180-K199 CarbonylContact O-C 3.55Å; F180-K199 VanDerWaalsContact O-CA 3.28Å; F180-K199 WeakPolarHBondContact O-CA 3.32Å; F180-I200 HydrophobicContact CB-CG1 4.2Å; F180-I200 PolarHBondContact N-O 3.09Å; F180-I200 PolarHBondContact O-N 2.96Å; F180-L202 HydrophobicContact CE2-CB 4.08Å; F180-L202 HydrophobicContact CE2-CD1 3.76Å; F180-L202 HydrophobicContact CZ-CD1 3.87Å; F180-F221 HydrophobicContact CB-CE2 4.35Å; F180-F221 HydrophobicContact CB-CZ 4.43Å; F180-F221 HydrophobicContact CD2-CE2 4.43Å; F180-F221 AromaticContact CD2-CZ 3.79Å; F180-F221 HydrophobicContact CD2-CZ 3.79Å; F180-F221 HydrophobicContact CE2-CZ 4.37Å; F180-F221 HydrophobicContact CG-CE2 4.42Å; F180-F221 HydrophobicContact CG-CZ 4.21Å; F180-Y228 HydrophobicContact CD1-CD1 4.33Å; F180-Y228 AromaticContact CD1-CD2 3.53Å; F180-Y228 HydrophobicContact CD1-CD2 3.53Å; F180-Y228 HydrophobicContact CD1-CE1 4.08Å; F180-Y228 AromaticContact CD1-CE2 3.21Å; F180-Y228 HydrophobicContact CD1-CE2 3.21Å; F180-Y228 HydrophobicContact CD1-CG 4.09Å; F180-Y228 AromaticContact CD1-CZ 3.52Å; F180-Y228 AromaticContact CE1-CD1 3.65Å; F180-Y228 HydrophobicContact CE1-CD1 3.65Å; F180-Y228 AromaticContact CE1-CD2 3.24Å; F180-Y228 HydrophobicContact CE1-CD2 3.24Å; F180-Y228 AromaticContact CE1-CE1 3.82Å; F180-Y228 HydrophobicContact CE1-CE1 3.82Å; F180-Y228 AromaticContact CE1-CE2 3.44Å; F180-Y228 HydrophobicContact CE1-CE2 3.44Å; F180-Y228 VanDerWaalsContact CE1-CE2 3.44Å; F180-Y228 AromaticContact CE1-CG 3.36Å; F180-Y228 HydrophobicContact CE1-CG 3.36Å; F180-Y228 AromaticContact CE1-CZ 3.71Å; F180-Y228 HydrophobicContact CE2-CD2 4.44Å; F180-Y228 HydrophobicContact CG-CD2 4.24Å; F180-Y228 AromaticContact CG-CE2 3.98Å; F180-Y228 HydrophobicContact CG-CE2 3.98Å; F180-Y228 HydrophobicContact CZ-CD1 4.46Å; F180-Y228 AromaticContact CZ-CD2 3.77Å; F180-Y228 HydrophobicContact CZ-CD2 3.77Å; F180-Y228 HydrophobicContact CZ-CE2 4.34Å; F180-Y228 AromaticContact CZ-CG 3.84Å; F180-Y228 HydrophobicContact CZ-CG 3.84Å
181	L	97.3	Very high	90.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	143	168.4	-66.6	160.4	0	0	0	110.2	E142 L145 R146 L149 T170 V171 V173 L197 V198 K199	E142-L181 HydrophobicContact CG-CD1 4.39Å; L145-L181 HydrophobicContact CB-CD1 4.2Å; R146-L181 HydrophobicContact CB-CD1 4.41Å; R146-L181 HydrophobicContact CG-CD1 3.56Å; R146-L181 HydrophobicContact CG-CD2 3.99Å; R146-L181 HydrophobicContact CG-CG 4.44Å; L149-L181 HydrophobicContact CD2-CB 3.71Å; L149-L181 WeakPolarHBondContact CD2-O 3.34Å; T170-L181 VanDerWaalsContact CA-O 3.23Å; T170-L181 WeakPolarHBondContact CA-O 3.48Å; V171-L181 HydrophobicContact CG1-CB 4.19Å; V171-L181 HydrophobicContact CG1-CD1 4.06Å; V171-L181 PolarHBondContact N-O 2.88Å; V171-L181 PolarHBondContact O-N 3.39Å; V173-L181 HydrophobicContact CG2-CD1 3.57Å; V173-L181 HydrophobicContact CG2-CD2 4.43Å; V173-L181 HydrophobicContact CG2-CG 3.52Å; L181-L197 HydrophobicContact CD2-CB 4.31Å; L181-V198 CarbonylContact C-O 3.28Å; L181-V198 VanDerWaalsContact CA-O 3.32Å; L181-V198 WeakPolarHBondContact CA-O 3.49Å; L181-K199 HydrophobicContact CD2-CB 4.03Å; L181-K199 HydrophobicContact CD2-CD 4.5Å; L181-K199 HydrophobicContact CD2-CG 4.24Å
182	I	96.9	Very high	90.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	160.3	176.1	-163.9	167.8	0	0	0	110.4	T170 L197 V198 I200 V216 F221	T170-I182 HydrophobicContact CG2-CB 4.17Å; T170-I182 HydrophobicContact CG2-CD1 3.88Å; T170-I182 HydrophobicContact CG2-CG1 3.98Å; I182-L197 WeakPolarHBondContact O-CD2 3.47Å; I182-V198 HydrophobicContact CG2-CB 4.45Å; I182-V198 PolarHBondContact N-O 2.8Å; I182-V198 PolarHBondContact O-N 3.15Å; I182-I200 HydrophobicContact CB-CD1 4.43Å; I182-I200 HydrophobicContact CG2-CD1 3.86Å; I182-I200 HydrophobicContact CG2-CG1 4.34Å; I182-V216 HydrophobicContact CG2-CB 4.28Å; I182-V216 HydrophobicContact CG2-CG1 3.57Å; I182-F221 HydrophobicContact CD1-CB 4.47Å; I182-F221 HydrophobicContact CD1-CD2 4.25Å
183	V	95.1	Very high	90.4	Very high	11 Å²	11	36 Å²	36	7%	0.067	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-65	138.3	167.2	70.8	0	0	0	0	111.1	Y153 L187 V192	Y153-V183 HydrophobicContact CD1-CB 4.5Å; Y153-V183 HydrophobicContact CE1-CB 3.75Å; Y153-V183 HydrophobicContact CE1-CG1 3.75Å; Y153-V183 HydrophobicContact CE1-CG2 4.47Å; Y153-V183 HydrophobicContact CE2-CB 3.96Å; Y153-V183 VanDerWaalsContact CZ-CB 3.44Å; Y153-V183 VanDerWaalsContact OH-CB 3.32Å; Y153-V183 WeakPolarHBondContact OH-CB 3.38Å; Y153-V183 VanDerWaalsContact OH-CG1 3.23Å; Y153-V183 WeakPolarHBondContact OH-CG1 3.46Å; Y153-V183 PolarHBondContact OH-N 3.19Å; V183-L187 HydrophobicContact CG2-CB 4.22Å; V183-V192 HydrophobicContact CG2-CG2 3.58Å
184	P	93.4	Very high	90.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-61.4	140.7	165.7	24	-33.2	0	0	0	111.1	G186 L187 S196 V198 T212 L214 G215	P184-G186 PolarHBondContact O-N 2.9Å; P184-L187 HydrophobicContact CG-CD1 3.62Å; P184-L187 HydrophobicContact CG-CG 3.95Å; P184-L187 PolarHBondContact O-N 2.88Å; P184-S196 WeakPolarHBondContact CD-O 3.47Å; P184-S196 WeakPolarHBondContact CG-O 3.29Å; P184-V198 HydrophobicContact CB-CG2 3.74Å; P184-V198 HydrophobicContact CG-CG2 4.32Å; P184-T212 HydrophobicContact CG-CG2 4.21Å; P184-L214 HydrophobicContact CB-CB 3.63Å; P184-L214 HydrophobicContact CB-CD1 3.91Å; P184-L214 HydrophobicContact CB-CG 4.37Å; P184-L214 HydrophobicContact CG-CD1 4.26Å; P184-G215 CarbonylContact C-O 3.29Å; P184-G215 WeakPolarHBondContact CA-O 3.42Å
185	F	91.8	Very high	91.1	Very high	52 Å²	52	32.4 Å²	32.4	23%	0.228	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	126.3	-178.5	-175.2	-126.3	0	0	0	111.3	I165 G215 N217	I165-F185 HydrophobicContact CD1-CD2 4.37Å; I165-F185 HydrophobicContact CD1-CE2 3.72Å; I165-F185 HydrophobicContact CD1-CZ 3.93Å; I165-F185 HydrophobicContact CG1-CE2 4.02Å; F185-G215 PolarHBondContact N-O 2.96Å; F185-N217 HydrophobicContact CB-CB 4.35Å; F185-N217 HydrophobicContact CD2-CB 3.81Å; F185-N217 HydrophobicContact CE2-CB 4.35Å; F185-N217 HydrophobicContact CG-CB 4.14Å
186	G	86.2	Confident	92	Very high	5 Å²	5	29.8 Å²	29.8	5%	0.052	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	-0.9	178.8	0	0	0	0	0	116.1	P184	P184-G186 PolarHBondContact O-N 2.9Å
187	L	89.1	Confident	92.8	Very high	16 Å²	16	22.5 Å²	22.5	8%	0.084	11%	0.111	C	C	.	.			trans	-84.6	142.2	161.8	-68.8	-171.1	0	0	0	110.7	V183 P184 L214	V183-L187 HydrophobicContact CG2-CB 4.22Å; P184-L187 HydrophobicContact CG-CD1 3.62Å; P184-L187 HydrophobicContact CG-CG 3.95Å; P184-L187 PolarHBondContact O-N 2.88Å; L187-L214 HydrophobicContact CD2-CD1 4.19Å; L187-L214 HydrophobicContact CG-CD1 4.06Å
188	L	91.1	Very high	93.4	Very high	51 Å²	51	16.9 Å²	16.9	27%	0.267	9%	0.085	S	C	.	.			trans	-72.2	152.5	166.5	-64.3	173.7	0	0	0	110.3	I165 S190 E191	I165-L188 HydrophobicContact CG2-CD2 4.03Å; L188-S190 WeakPolarHBondContact CB-OG 3.48Å; L188-S190 PolarHBondContact O-N 3.38Å; L188-E191 HydrophobicContact CB-CG 4.16Å; L188-E191 PolarHBondContact N-OE2 3.11Å; L188-E191 WeakPolarHBondContact O-CB 3.31Å; L188-E191 PolarHBondContact O-N 3.3Å
189	Y	92.6	Very high	93.6	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.008	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-59.5	-31.8	177.5	-81.6	29.9	0	0	0	112.1	Y153 R154 A156 N167 H168 L169 E191	Y153-Y189 AromaticContact CD1-CD1 3.75Å; Y153-Y189 HydrophobicContact CD1-CD1 3.75Å; Y153-Y189 AromaticContact CD1-CD2 3.76Å; Y153-Y189 HydrophobicContact CD1-CD2 3.76Å; Y153-Y189 AromaticContact CD1-CE1 3.63Å; Y153-Y189 HydrophobicContact CD1-CE1 3.63Å; Y153-Y189 AromaticContact CD1-CE2 3.63Å; Y153-Y189 HydrophobicContact CD1-CE2 3.63Å; Y153-Y189 AromaticContact CD1-CG 3.79Å; Y153-Y189 HydrophobicContact CD1-CG 3.79Å; Y153-Y189 AromaticContact CD1-CZ 3.53Å; Y153-Y189 HydrophobicContact CE1-CD1 4.05Å; Y153-Y189 HydrophobicContact CE1-CD2 4.46Å; Y153-Y189 AromaticContact CE1-CE1 3.48Å; Y153-Y189 HydrophobicContact CE1-CE1 3.48Å; Y153-Y189 VanDerWaalsContact CE1-CE1 3.48Å; Y153-Y189 AromaticContact CE1-CE2 3.94Å; Y153-Y189 HydrophobicContact CE1-CE2 3.94Å; Y153-Y189 HydrophobicContact CE1-CG 4.49Å; Y153-Y189 AromaticContact CE1-CZ 3.38Å; Y153-Y189 WeakPolarHBondContact CE1-OH 3.22Å; R154-Y189 WeakPolarHBondContact CD-O 3.34Å; A156-Y189 HydrophobicContact CB-CD2 3.87Å; A156-Y189 HydrophobicContact CB-CE2 3.98Å; N167-Y189 HydrophobicContact CB-CE1 4.43Å; N167-Y189 HydrophobicContact CB-CE2 4.34Å; N167-Y189 WeakPolarHBondContact CB-OH 3.38Å; N167-Y189 PolarHBondContact O-OH 3.26Å; H168-Y189 PolarHBondContact N-OH 3.07Å; L169-Y189 HydrophobicContact CD1-CE2 3.76Å; L169-Y189 WeakPolarHBondContact CD1-OH 3.23Å; Y189-E191 PolarHBondContact O-N 2.82Å
190	S	90.1	Very high	93.6	Very high	36 Å²	36	11.2 Å²	11.2	25%	0.252	6%	0.061	S	C	.	.	G	3₁₀ helix	trans	-63.4	-14.2	172.8	61.5	0	0	0	0	115.3	R154 D157 L188	R154-S190 PolarHBondContact NE-O 3.47Å; R154-S190 PolarHBondContact NH1-O 3.09Å; D157-S190 VanDerWaalsContact OD2-CB 3.27Å; D157-S190 WeakPolarHBondContact OD2-CB 3.01Å; L188-S190 WeakPolarHBondContact CB-OG 3.48Å; L188-S190 PolarHBondContact O-N 3.38Å
191	E	90.8	Very high	93.5	Very high	17 Å²	17	12.4 Å²	12.4	8%	0.079	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-103.5	-19.7	-175.2	-62.3	177.1	126.2	0	0	113.3	L188 Y189 S376 Q377 V378	L188-E191 HydrophobicContact CB-CG 4.16Å; L188-E191 PolarHBondContact N-OE2 3.11Å; L188-E191 WeakPolarHBondContact O-CB 3.31Å; L188-E191 PolarHBondContact O-N 3.3Å; Y189-E191 PolarHBondContact O-N 2.82Å; E191-S376 VanDerWaalsContact CD-OG 3.32Å; E191-S376 VanDerWaalsContact OE1-CA 3.31Å; E191-S376 WeakPolarHBondContact OE1-CA 3.37Å; E191-S376 VanDerWaalsContact OE1-CB 3.28Å; E191-S376 WeakPolarHBondContact OE1-CB 3.3Å; E191-S376 PolarHBondContact OE1-OG 3.15Å; E191-Q377 PolarHBondContact OE1-N 2.92Å; E191-V378 HydrophobicContact CG-CG2 4.03Å; E191-V378 PolarHBondContact OE1-N 3.5Å
192	V	93.5	Very high	93.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.			trans	-59.7	140.1	-169.3	-174.3	0	0	0	0	112.7	A150 Y153 R154 V183 L197	A150-V192 HydrophobicContact CB-CG1 4.13Å; Y153-V192 HydrophobicContact CD1-CG2 4.27Å; Y153-V192 HydrophobicContact CD2-CG1 3.92Å; Y153-V192 HydrophobicContact CG-CB 4.3Å; Y153-V192 HydrophobicContact CG-CG1 4.11Å; Y153-V192 HydrophobicContact CG-CG2 4.01Å; R154-V192 PolarHBondContact NE-O 2.78Å; R154-V192 PolarHBondContact NH2-O 3.5Å; V183-V192 HydrophobicContact CG2-CG2 3.58Å; V192-L197 HydrophobicContact CG1-CD2 3.96Å; V192-L197 HydrophobicContact CG1-CG 4.29Å
193	T	94.8	Very high	93	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.043	10%	0.1	C	C	.	.			trans	-131.7	170.3	172.9	74.1	0	0	0	0	111.3	T125 P126 D129 A150 S195 S196	T125-T193 HydrophobicContact CG2-CG2 3.56Å; P126-T193 WeakPolarHBondContact O-CG2 3.36Å; D129-T193 VanDerWaalsContact CG-CB 3.42Å; D129-T193 VanDerWaalsContact CG-OG1 3.29Å; D129-T193 WeakPolarHBondContact OD1-CB 3.21Å; D129-T193 PolarHBondContact OD1-OG1 3.27Å; D129-T193 WeakPolarHBondContact OD2-CB 3.28Å; D129-T193 PolarHBondContact OD2-OG1 3.02Å; A150-T193 VanDerWaalsContact CB-C 3.45Å; T193-S195 VanDerWaalsContact C-N 3.33Å; T193-S195 PolarHBondContact O-N 3.32Å; T193-S195 PolarHBondContact OG1-N 3.11Å; T193-S195 PolarHBondContact OG1-OG 3.01Å; T193-S196 PolarHBondContact N-OG 3.33Å; T193-S196 PolarHBondContact O-N 3.42Å; T193-S196 PolarHBondContact O-OG 2.9Å; T193-S196 WeakPolarHBondContact OG1-CB 3.48Å; T193-S196 PolarHBondContact OG1-N 3.48Å; T193-S196 VanDerWaalsContact OG1-N 3.11Å
194	A	95.1	Very high	92.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-34.5	177	0	0	0	0	0	112.6	V127 D129 L130 R146 C147	V127-A194 WeakPolarHBondContact O-CB 3.29Å; V127-A194 PolarHBondContact O-N 3.47Å; D129-A194 PolarHBondContact OD1-N 2.85Å; L130-A194 HydrophobicContact CD1-CB 3.8Å; L130-A194 HydrophobicContact CG-CB 3.79Å; R146-A194 HydrophobicContact CB-CB 4Å; R146-A194 WeakPolarHBondContact CD-O 3.45Å; R146-A194 PolarHBondContact NH1-O 3.15Å; C147-A194 HydrophobicContact CB-CB 4.49Å
195	S	94.1	Very high	92.8	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.063	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-34.5	172.8	82.8	0	0	0	0	112.9	D129 T193 L197 G210 S211	D129-S195 PolarHBondContact OD1-N 3.12Å; D129-S195 VanDerWaalsContact OD2-CB 3.22Å; D129-S195 WeakPolarHBondContact OD2-CB 3.22Å; D129-S195 PolarHBondContact OD2-OG 3.5Å; T193-S195 VanDerWaalsContact C-N 3.33Å; T193-S195 PolarHBondContact O-N 3.32Å; T193-S195 PolarHBondContact OG1-N 3.11Å; T193-S195 PolarHBondContact OG1-OG 3.01Å; S195-L197 VanDerWaalsContact C-N 3.29Å; S195-L197 PolarHBondContact O-N 3.26Å; S195-G210 CarbonylContact O-C 3.49Å; S195-G210 WeakPolarHBondContact O-CA 3.35Å; S195-S211 VanDerWaalsContact C-OG 3.3Å; S195-S211 PolarHBondContact O-N 2.91Å; S195-S211 PolarHBondContact O-OG 3.22Å; S195-S211 VanDerWaalsContact OG-CB 3.32Å; S195-S211 WeakPolarHBondContact OG-CB 3.24Å; S195-S211 PolarHBondContact OG-OG 3.01Å
196	S	94.4	Very high	92.9	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.042	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.7	-172.2	80.9	0	0	0	0	114.3	P184 T193 S211	P184-S196 WeakPolarHBondContact CD-O 3.47Å; P184-S196 WeakPolarHBondContact CG-O 3.29Å; T193-S196 PolarHBondContact N-OG 3.33Å; T193-S196 PolarHBondContact O-N 3.42Å; T193-S196 PolarHBondContact O-OG 2.9Å; T193-S196 WeakPolarHBondContact OG1-CB 3.48Å; T193-S196 PolarHBondContact OG1-N 3.48Å; T193-S196 VanDerWaalsContact OG1-N 3.11Å; S196-S211 WeakPolarHBondContact CA-OG 3.23Å; S196-S211 PolarHBondContact N-OG 3.32Å
197	L	96.2	Very high	93.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-64.6	136.7	178.4	-69.8	166.8	0	0	0	111.9	R146 L149 A150 Y153 L181 I182 V192 S195	R146-L197 HydrophobicContact CB-CD1 4.2Å; R146-L197 HydrophobicContact CG-CD1 4.37Å; R146-L197 PolarHBondContact NH1-O 2.97Å; R146-L197 VanDerWaalsContact O-CD1 3.26Å; R146-L197 WeakPolarHBondContact O-CD1 3.11Å; L149-L197 HydrophobicContact CB-CD1 4Å; L149-L197 HydrophobicContact CD2-CD1 4.1Å; L149-L197 HydrophobicContact CD2-CD2 3.93Å; L149-L197 HydrophobicContact CG-CD1 4.12Å; L149-L197 HydrophobicContact CG-CD2 4.16Å; A150-L197 HydrophobicContact CB-CD1 4.22Å; Y153-L197 HydrophobicContact CD2-CD2 4.13Å; Y153-L197 HydrophobicContact CE2-CD2 3.83Å; L181-L197 HydrophobicContact CD2-CB 4.31Å; I182-L197 WeakPolarHBondContact O-CD2 3.47Å; V192-L197 HydrophobicContact CG1-CD2 3.96Å; V192-L197 HydrophobicContact CG1-CG 4.29Å; S195-L197 VanDerWaalsContact C-N 3.29Å; S195-L197 PolarHBondContact O-N 3.26Å
198	V	95.8	Very high	93.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.5	177.2	-178.3	0	0	0	0	109	L181 I182 P184 I200 I206 D208 V216	L181-V198 CarbonylContact C-O 3.28Å; L181-V198 VanDerWaalsContact CA-O 3.32Å; L181-V198 WeakPolarHBondContact CA-O 3.49Å; I182-V198 HydrophobicContact CG2-CB 4.45Å; I182-V198 PolarHBondContact N-O 2.8Å; I182-V198 PolarHBondContact O-N 3.15Å; P184-V198 HydrophobicContact CB-CG2 3.74Å; P184-V198 HydrophobicContact CG-CG2 4.32Å; V198-I200 HydrophobicContact CG1-CG2 4.05Å; V198-I206 HydrophobicContact CG1-CB 4.44Å; V198-I206 HydrophobicContact CG1-CD1 4.33Å; V198-I206 HydrophobicContact CG1-CG1 4.08Å; V198-I206 HydrophobicContact CG1-CG2 3.66Å; V198-D208 VanDerWaalsContact CG1-O 3.32Å; V198-D208 WeakPolarHBondContact CG1-O 3.35Å; V198-V216 HydrophobicContact CB-CG1 3.98Å; V198-V216 HydrophobicContact CG1-CG1 3.72Å; V198-V216 HydrophobicContact CG2-CG1 4.42Å
199	K	95.8	Very high	93.5	Very high	23 Å²	23	32 Å²	32	10%	0.1	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.4	171.4	-159.4	163.8	51.3	-141.5	0	109.4	E142 R179 F180 L181 V207 D208	E142-K199 IonicContact OE1-NZ 3.78Å; E142-K199 PolarHBondContact OE1-NZ 3.4Å; E142-K199 WeakPolarHBondContact OE2-CD 3.13Å; E142-K199 IonicContact OE2-NZ 2.66Å; E142-K199 PolarHBondContact OE2-NZ 3.48Å; R179-K199 HydrophobicContact CB-CG 4.29Å; F180-K199 CarbonylContact O-C 3.55Å; F180-K199 VanDerWaalsContact O-CA 3.28Å; F180-K199 WeakPolarHBondContact O-CA 3.32Å; L181-K199 HydrophobicContact CD2-CB 4.03Å; L181-K199 HydrophobicContact CD2-CD 4.5Å; L181-K199 HydrophobicContact CD2-CG 4.24Å; K199-V207 PolarHBondContact O-N 2.81Å; K199-D208 HydrophobicContact CB-CB 3.6Å; K199-D208 PolarHBondContact N-O 2.76Å; K199-D208 IonicContact NZ-OD2 2.89Å; K199-D208 PolarHBondContact NZ-OD2 3.26Å; K199-D208 PolarHBondContact O-N 2.89Å; K199-D208 VanDerWaalsContact O-N 3.11Å
200	I	95.6	Very high	93.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	169.9	179.5	58.1	178	0	0	0	110.8	R179 F180 I182 V198 G204 E205 I206 V216 F221	R179-I200 CarbonylContact C-O 3.57Å; R179-I200 WeakPolarHBondContact CA-O 3.36Å; F180-I200 HydrophobicContact CB-CG1 4.2Å; F180-I200 PolarHBondContact N-O 3.09Å; F180-I200 PolarHBondContact O-N 2.96Å; I182-I200 HydrophobicContact CB-CD1 4.43Å; I182-I200 HydrophobicContact CG2-CD1 3.86Å; I182-I200 HydrophobicContact CG2-CG1 4.34Å; V198-I200 HydrophobicContact CG1-CG2 4.05Å; I200-G204 WeakPolarHBondContact CG2-O 3.29Å; I200-E205 VanDerWaalsContact CA-O 3.23Å; I200-E205 WeakPolarHBondContact CA-O 3.4Å; I200-I206 HydrophobicContact CG2-CG1 4.11Å; I200-V216 HydrophobicContact CG2-CG1 3.81Å; I200-V216 HydrophobicContact CG2-CG2 4.17Å; I200-F221 HydrophobicContact CD1-CB 4.48Å; I200-F221 HydrophobicContact CD1-CD1 3.72Å; I200-F221 HydrophobicContact CD1-CD2 3.53Å; I200-F221 HydrophobicContact CD1-CE1 3.75Å; I200-F221 HydrophobicContact CD1-CE2 3.57Å; I200-F221 HydrophobicContact CD1-CG 3.61Å; I200-F221 HydrophobicContact CD1-CZ 3.67Å; I200-F221 HydrophobicContact CG1-CE1 4.46Å; I200-F221 HydrophobicContact CG1-CE2 4.36Å; I200-F221 HydrophobicContact CG1-CZ 4.21Å
201	D	94.5	Very high	93.5	Very high	25 Å²	25	34.8 Å²	34.8	13%	0.134	18%	0.182	C	C	.	.			trans	-101.8	-174.8	169.8	66.9	19.1	0	0	0	112.7	E178 R179 Q203 G204 E205 V207 F221	E178-D201 WeakPolarHBondContact O-CA 3.08Å; R179-D201 IonicContact NH1-OD2 2.68Å; D201-Q203 PolarHBondContact O-N 2.94Å; D201-Q203 WeakPolarHBondContact OD1-CA 3.48Å; D201-Q203 WeakPolarHBondContact OD1-CB 3.42Å; D201-Q203 PolarHBondContact OD1-N 2.89Å; D201-G204 PolarHBondContact O-N 2.95Å; D201-G204 PolarHBondContact OD1-N 2.84Å; D201-E205 PolarHBondContact N-O 3.34Å; D201-E205 PolarHBondContact OD1-N 2.61Å; D201-V207 HydrophobicContact CB-CG2 4.18Å; D201-F221 WeakPolarHBondContact O-CE1 3.33Å; D201-F221 WeakPolarHBondContact O-CZ 3.23Å
202	L	92	Very high	93.3	Very high	20 Å²	20	35 Å²	35	11%	0.105	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.5	-179.7	-166.4	70.6	0	0	0	112.8	E178 F180 G204 S225 A229	E178-L202 HydrophobicContact CB-CB 4.29Å; E178-L202 PolarHBondContact O-N 2.88Å; E178-L202 WeakPolarHBondContact OE2-CD2 3.39Å; F180-L202 HydrophobicContact CE2-CB 4.08Å; F180-L202 HydrophobicContact CE2-CD1 3.76Å; F180-L202 HydrophobicContact CZ-CD1 3.87Å; L202-G204 VanDerWaalsContact C-N 3.31Å; L202-S225 WeakPolarHBondContact O-CB 3.47Å; L202-A229 HydrophobicContact CD2-CB 4.42Å
203	Q	90.5	Very high	93	Very high	125 Å²	125	42.4 Å²	42.4	58%	0.584	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.3	174.1	-67	68	35	0	0	111.9	D201 E205 Q218	D201-Q203 PolarHBondContact O-N 2.94Å; D201-Q203 WeakPolarHBondContact OD1-CA 3.48Å; D201-Q203 WeakPolarHBondContact OD1-CB 3.42Å; D201-Q203 PolarHBondContact OD1-N 2.89Å; Q203-E205 VanDerWaalsContact C-N 3.32Å; Q203-Q218 PolarHBondContact O-NE2 3.14Å
204	G	90.9	Very high	92.6	Very high	2 Å²	2	44 Å²	44	2%	0.021	23%	0.232	C	C	.	.			trans	84.9	1	-178.7	0	0	0	0	0	114.3	I200 D201 L202 Q218	I200-G204 WeakPolarHBondContact CG2-O 3.29Å; D201-G204 PolarHBondContact O-N 2.95Å; D201-G204 PolarHBondContact OD1-N 2.84Å; L202-G204 VanDerWaalsContact C-N 3.31Å; G204-Q218 PolarHBondContact O-OE1 2.88Å
205	E	93.2	Very high	92.3	Very high	131 Å²	131	45.7 Å²	45.7	61%	0.612	25%	0.25	S	C	*	.			trans	-70.6	141.2	-178.8	-72	-63.6	162.3	0	0	111.2	I200 D201 Q203 V207	I200-E205 VanDerWaalsContact CA-O 3.23Å; I200-E205 WeakPolarHBondContact CA-O 3.4Å; D201-E205 PolarHBondContact N-O 3.34Å; D201-E205 PolarHBondContact OD1-N 2.61Å; Q203-E205 VanDerWaalsContact C-N 3.32Å; E205-V207 PolarHBondContact O-N 3.43Å
206	I	94.7	Very high	92.1	Very high	47 Å²	47	46.4 Å²	46.4	24%	0.241	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	110.8	-170.8	-59	174.5	0	0	0	110.9	V198 I200 R209 V216	V198-I206 HydrophobicContact CG1-CB 4.44Å; V198-I206 HydrophobicContact CG1-CD1 4.33Å; V198-I206 HydrophobicContact CG1-CG1 4.08Å; V198-I206 HydrophobicContact CG1-CG2 3.66Å; I200-I206 HydrophobicContact CG2-CG1 4.11Å; I206-R209 HydrophobicContact CG2-CG 3.68Å; I206-V216 HydrophobicContact CD1-CG1 4.49Å; I206-V216 HydrophobicContact CG1-CG1 4.48Å; I206-V216 HydrophobicContact CG1-CG2 4.46Å
207	V	93.9	Very high	91.7	Very high	63 Å²	63	47 Å²	47	38%	0.382	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-33.1	177.4	-175.1	0	0	0	0	111.3	K199 D201 E205	K199-V207 PolarHBondContact O-N 2.81Å; D201-V207 HydrophobicContact CB-CG2 4.18Å; E205-V207 PolarHBondContact O-N 3.43Å
208	D	93.3	Very high	91.2	Very high	40 Å²	40	50.8 Å²	50.8	21%	0.214	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	126.5	-175.9	-172	-33	0	0	0	109	Y138 R146 V198 K199 G210	Y138-D208 WeakPolarHBondContact CE1-OD2 3.02Å; R146-D208 IonicContact NH2-OD1 2.95Å; R146-D208 IonicContact NH2-OD2 3.52Å; V198-D208 VanDerWaalsContact CG1-O 3.32Å; V198-D208 WeakPolarHBondContact CG1-O 3.35Å; K199-D208 HydrophobicContact CB-CB 3.6Å; K199-D208 PolarHBondContact N-O 2.76Å; K199-D208 IonicContact NZ-OD2 2.89Å; K199-D208 PolarHBondContact NZ-OD2 3.26Å; K199-D208 PolarHBondContact O-N 2.89Å; K199-D208 VanDerWaalsContact O-N 3.11Å; D208-G210 PolarHBondContact OD1-N 2.87Å
209	R	92.6	Very high	90.5	Very high	119 Å²	119	51.2 Å²	51.2	45%	0.449	28%	0.277	S	S	.	.			trans	-85.6	-7.5	-174.1	-71.9	-177.3	176.9	-77.9	-5.5	114	I206 T212 L214	I206-R209 HydrophobicContact CG2-CG 3.68Å; R209-T212 WeakPolarHBondContact CB-O 3.2Å; R209-T212 PolarHBondContact O-N 2.82Å; R209-L214 PolarHBondContact NH1-O 3.04Å; R209-L214 VanDerWaalsContact NH1-O 3.08Å
210	G	92	Very high	89.8	Confident	22 Å²	22	50.8 Å²	50.8	23%	0.227	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-145.2	-166.4	0	0	0	0	0	111.1	S195 D208 T212	S195-G210 CarbonylContact O-C 3.49Å; S195-G210 WeakPolarHBondContact O-CA 3.35Å; D208-G210 PolarHBondContact OD1-N 2.87Å; G210-T212 VanDerWaalsContact C-N 3.33Å
211	S	89.9	Confident	89.6	Confident	74 Å²	74	50.9 Å²	50.9	52%	0.517	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.8	178.2	58	0	0	0	0	115	S195 S196	S195-S211 VanDerWaalsContact C-OG 3.3Å; S195-S211 PolarHBondContact O-N 2.91Å; S195-S211 PolarHBondContact O-OG 3.22Å; S195-S211 VanDerWaalsContact OG-CB 3.32Å; S195-S211 WeakPolarHBondContact OG-CB 3.24Å; S195-S211 PolarHBondContact OG-OG 3.01Å; S196-S211 WeakPolarHBondContact CA-OG 3.23Å; S196-S211 PolarHBondContact N-OG 3.32Å
212	T	86.1	Confident	89.4	Confident	22 Å²	22	52 Å²	52	14%	0.135	29%	0.285	C	S	.	.			trans	-115.2	154	-174.7	83	0	0	0	0	112.7	P184 R209 G210 L214	P184-T212 HydrophobicContact CG-CG2 4.21Å; R209-T212 WeakPolarHBondContact CB-O 3.2Å; R209-T212 PolarHBondContact O-N 2.82Å; G210-T212 VanDerWaalsContact C-N 3.33Å; T212-L214 VanDerWaalsContact C-N 3.29Å; T212-L214 PolarHBondContact OG1-N 2.84Å
213	N	86.7	Confident	89.3	Confident	156 Å²	156	51.6 Å²	51.6	83%	0.834	28%	0.283	S	S	*	.			trans	-92.7	16.9	172.3	-71.9	-51.3	0	0	0	113
214	L	88.3	Confident	89.6	Confident	40 Å²	40	45.6 Å²	45.6	21%	0.209	26%	0.255	C	S	.	.			trans	-85.6	167.5	-170.7	-58.6	177.3	0	0	0	112.2	P184 L187 R209 T212 P374	P184-L214 HydrophobicContact CB-CB 3.63Å; P184-L214 HydrophobicContact CB-CD1 3.91Å; P184-L214 HydrophobicContact CB-CG 4.37Å; P184-L214 HydrophobicContact CG-CD1 4.26Å; L187-L214 HydrophobicContact CD2-CD1 4.19Å; L187-L214 HydrophobicContact CG-CD1 4.06Å; R209-L214 PolarHBondContact NH1-O 3.04Å; R209-L214 VanDerWaalsContact NH1-O 3.08Å; T212-L214 VanDerWaalsContact C-N 3.29Å; T212-L214 PolarHBondContact OG1-N 2.84Å; L214-P374 HydrophobicContact CD1-CG 3.91Å; L214-P374 HydrophobicContact CD2-CB 4.25Å; L214-P374 HydrophobicContact CD2-CG 3.76Å
215	G	88.2	Confident	89.7	Confident	36 Å²	36	45.8 Å²	45.8	37%	0.371	26%	0.255	S	S	.	.			trans	-91.5	-170.6	171.7	0	0	0	0	0	112.4	P184 F185	P184-G215 CarbonylContact C-O 3.29Å; P184-G215 WeakPolarHBondContact CA-O 3.42Å; F185-G215 PolarHBondContact N-O 2.96Å
216	V	89.3	Confident	89.7	Confident	23 Å²	23	39.5 Å²	39.5	14%	0.139	23%	0.226	C	C	.	.			trans	-117.4	158.6	170	-64.2	0	0	0	0	110.2	I182 V198 I200 I206 Q218	I182-V216 HydrophobicContact CG2-CB 4.28Å; I182-V216 HydrophobicContact CG2-CG1 3.57Å; V198-V216 HydrophobicContact CB-CG1 3.98Å; V198-V216 HydrophobicContact CG1-CG1 3.72Å; V198-V216 HydrophobicContact CG2-CG1 4.42Å; I200-V216 HydrophobicContact CG2-CG1 3.81Å; I200-V216 HydrophobicContact CG2-CG2 4.17Å; I206-V216 HydrophobicContact CD1-CG1 4.49Å; I206-V216 HydrophobicContact CG1-CG1 4.48Å; I206-V216 HydrophobicContact CG1-CG2 4.46Å; V216-Q218 PolarHBondContact O-N 3.39Å; V216-Q218 VanDerWaalsContact O-N 3.09Å
217	N	87.4	Confident	89.7	Confident	19 Å²	19	37.3 Å²	37.3	10%	0.102	22%	0.215	C	C	.	.			trans	-79	92.9	171.2	-178	-24.6	0	0	0	108.2	H168 F185 A219 G220 F221	H168-N217 PolarHBondContact NE2-ND2 3.49Å; F185-N217 HydrophobicContact CB-CB 4.35Å; F185-N217 HydrophobicContact CD2-CB 3.81Å; F185-N217 HydrophobicContact CE2-CB 4.35Å; F185-N217 HydrophobicContact CG-CB 4.14Å; N217-A219 VanDerWaalsContact C-N 3.35Å; N217-A219 PolarHBondContact O-N 2.69Å; N217-A219 PolarHBondContact OD1-N 3.24Å; N217-G220 PolarHBondContact O-N 3.11Å; N217-G220 PolarHBondContact OD1-N 3.25Å; N217-F221 PolarHBondContact O-N 3.37Å; N217-F221 VanDerWaalsContact O-N 3.12Å
218	Q	84.8	Confident	89.7	Confident	79 Å²	79	34.3 Å²	34.3	37%	0.369	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-43.7	-176.1	-173.3	64.2	8.9	0	0	112	Q203 G204 V216 F221 M222	Q203-Q218 PolarHBondContact O-NE2 3.14Å; G204-Q218 PolarHBondContact O-OE1 2.88Å; V216-Q218 PolarHBondContact O-N 3.39Å; V216-Q218 VanDerWaalsContact O-N 3.09Å; Q218-F221 PolarHBondContact O-N 3.46Å; Q218-M222 VanDerWaalsContact O-CG 3.31Å; Q218-M222 WeakPolarHBondContact O-CG 3.43Å; Q218-M222 PolarHBondContact O-N 2.89Å
219	A	80	Confident	89.7	Confident	9 Å²	9	34.7 Å²	34.7	7%	0.074	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-50.4	179.4	0	0	0	0	0	112.2	N217 F221 M222 L277 D368	N217-A219 VanDerWaalsContact C-N 3.35Å; N217-A219 PolarHBondContact O-N 2.69Å; N217-A219 PolarHBondContact OD1-N 3.24Å; A219-F221 VanDerWaalsContact C-N 3.34Å; A219-F221 PolarHBondContact O-N 2.75Å; A219-M222 WeakPolarHBondContact O-CB 3.39Å; A219-M222 WeakPolarHBondContact O-CG 3.39Å; A219-M222 PolarHBondContact O-N 2.82Å; A219-L277 HydrophobicContact CB-CD2 3.5Å; A219-D368 WeakPolarHBondContact CB-OD2 3.38Å
220	G	81.1	Confident	89.6	Confident	14 Å²	14	30.9 Å²	30.9	14%	0.144	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-33.2	178.2	0	0	0	0	0	113.9	H168 N217 M222	H168-G220 VanDerWaalsContact CE1-CA 3.47Å; H168-G220 WeakPolarHBondContact CE1-CA 3.38Å; N217-G220 PolarHBondContact O-N 3.11Å; N217-G220 PolarHBondContact OD1-N 3.25Å; G220-M222 PolarHBondContact O-N 2.95Å
221	F	91.7	Very high	89.6	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-68.2	-21.3	176	-175.5	-110.5	0	0	0	113.4	T170 F180 I182 I200 D201 N217 Q218 A219 L223 H224 S225	T170-F221 HydrophobicContact CG2-CD2 4.09Å; T170-F221 HydrophobicContact CG2-CE2 4.14Å; F180-F221 HydrophobicContact CB-CE2 4.35Å; F180-F221 HydrophobicContact CB-CZ 4.43Å; F180-F221 HydrophobicContact CD2-CE2 4.43Å; F180-F221 AromaticContact CD2-CZ 3.79Å; F180-F221 HydrophobicContact CD2-CZ 3.79Å; F180-F221 HydrophobicContact CE2-CZ 4.37Å; F180-F221 HydrophobicContact CG-CE2 4.42Å; F180-F221 HydrophobicContact CG-CZ 4.21Å; I182-F221 HydrophobicContact CD1-CB 4.47Å; I182-F221 HydrophobicContact CD1-CD2 4.25Å; I200-F221 HydrophobicContact CD1-CB 4.48Å; I200-F221 HydrophobicContact CD1-CD1 3.72Å; I200-F221 HydrophobicContact CD1-CD2 3.53Å; I200-F221 HydrophobicContact CD1-CE1 3.75Å; I200-F221 HydrophobicContact CD1-CE2 3.57Å; I200-F221 HydrophobicContact CD1-CG 3.61Å; I200-F221 HydrophobicContact CD1-CZ 3.67Å; I200-F221 HydrophobicContact CG1-CE1 4.46Å; I200-F221 HydrophobicContact CG1-CE2 4.36Å; I200-F221 HydrophobicContact CG1-CZ 4.21Å; D201-F221 WeakPolarHBondContact O-CE1 3.33Å; D201-F221 WeakPolarHBondContact O-CZ 3.23Å; N217-F221 PolarHBondContact O-N 3.37Å; N217-F221 VanDerWaalsContact O-N 3.12Å; Q218-F221 PolarHBondContact O-N 3.46Å; A219-F221 VanDerWaalsContact C-N 3.34Å; A219-F221 PolarHBondContact O-N 2.75Å; F221-L223 VanDerWaalsContact C-N 3.29Å; F221-L223 PolarHBondContact O-N 2.71Å; F221-H224 HydrophobicContact CD2-CB 3.84Å; F221-H224 HydrophobicContact CE2-CB 3.99Å; F221-H224 PolarHBondContact O-N 3.06Å; F221-S225 PolarHBondContact O-N 2.95Å
222	M	89.9	Confident	89.7	Confident	50 Å²	50	31 Å²	31	25%	0.246	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-36.8	179.1	-56.6	-163.3	-58.3	0	0	112.8	Q218 A219 G220 S225 A226 L277 V278	Q218-M222 VanDerWaalsContact O-CG 3.31Å; Q218-M222 WeakPolarHBondContact O-CG 3.43Å; Q218-M222 PolarHBondContact O-N 2.89Å; A219-M222 WeakPolarHBondContact O-CB 3.39Å; A219-M222 WeakPolarHBondContact O-CG 3.39Å; A219-M222 PolarHBondContact O-N 2.82Å; G220-M222 PolarHBondContact O-N 2.95Å; M222-S225 PolarHBondContact O-N 3.06Å; M222-S225 PolarHBondContact O-OG 2.95Å; M222-A226 WeakPolarHBondContact O-CB 2.97Å; M222-A226 PolarHBondContact O-N 3Å; M222-L277 HydrophobicContact CE-CB 4Å; M222-L277 HydrophobicContact CE-CD2 3.83Å; M222-L277 HydrophobicContact CE-CG 4.5Å; M222-V278 HydrophobicContact CB-CB 4.26Å; M222-V278 VanDerWaalsContact CE-O 3.26Å; M222-V278 WeakPolarHBondContact CE-O 3Å
223	L	91.8	Very high	90	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.052	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-46.1	172	171.6	64.3	0	0	0	111.5	F221 A226 I227 H239 V278 I286 L299 V305	F221-L223 VanDerWaalsContact C-N 3.29Å; F221-L223 PolarHBondContact O-N 2.71Å; L223-A226 PolarHBondContact O-N 3.1Å; L223-I227 HydrophobicContact CD1-CD1 3.97Å; L223-I227 HydrophobicContact CG-CD1 4.25Å; L223-I227 WeakPolarHBondContact O-CG1 3.44Å; L223-I227 PolarHBondContact O-N 2.75Å; L223-H239 HydrophobicContact CD2-CB 4.35Å; L223-V278 HydrophobicContact CB-CG2 4.3Å; L223-I286 HydrophobicContact CD1-CD1 4.03Å; L223-L299 HydrophobicContact CD1-CD1 4.45Å; L223-L299 HydrophobicContact CD2-CD1 3.8Å; L223-V305 HydrophobicContact CD2-CG2 4.12Å
224	H	95.3	Very high	90.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.7	-40.6	-179.2	-73.2	-124.1	0	0	0	111.2	H168 T170 F221 I227 Y228 H239	H168-H224 PolarHBondContact O-CE1 2.96Å; T170-H224 HydrophobicContact CG2-CB 4.31Å; T170-H224 WeakPolarHBondContact CG2-ND1 3.36Å; T170-H224 PolarHBondContact OG1-ND1 2.81Å; F221-H224 HydrophobicContact CD2-CB 3.84Å; F221-H224 HydrophobicContact CE2-CB 3.99Å; F221-H224 PolarHBondContact O-N 3.06Å; H224-I227 PolarHBondContact O-N 2.96Å; H224-Y228 HydrophobicContact CB-CD2 4.41Å; H224-Y228 HydrophobicContact CB-CE2 4.35Å; H224-Y228 WeakPolarHBondContact O-CB 3.4Å; H224-Y228 WeakPolarHBondContact O-CD2 3.28Å; H224-Y228 PolarHBondContact O-N 2.8Å; H224-H239 WeakPolarHBondContact NE2-CB 3.39Å
225	S	94	Very high	90.8	Very high	5 Å²	5	27.1 Å²	27.1	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-38.6	176	84.7	0	0	0	0	112.3	L202 F221 M222 I227 Y228 A229 R283	L202-S225 WeakPolarHBondContact O-CB 3.47Å; F221-S225 PolarHBondContact O-N 2.95Å; M222-S225 PolarHBondContact O-N 3.06Å; M222-S225 PolarHBondContact O-OG 2.95Å; S225-I227 VanDerWaalsContact C-N 3.34Å; S225-I227 PolarHBondContact O-N 3.37Å; S225-Y228 PolarHBondContact O-N 2.96Å; S225-A229 VanDerWaalsContact O-CB 3.32Å; S225-A229 WeakPolarHBondContact O-CB 3.23Å; S225-A229 PolarHBondContact O-N 3.45Å; S225-R283 PolarHBondContact OG-NH2 3.33Å; S225-R283 VanDerWaalsContact OG-NH2 3.11Å
226	A	92.8	Very high	91.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.2	-44.3	175.1	0	0	0	0	0	112	M222 L223 R283 Q287	M222-A226 WeakPolarHBondContact O-CB 2.97Å; M222-A226 PolarHBondContact O-N 3Å; L223-A226 PolarHBondContact O-N 3.1Å; A226-R283 HydrophobicContact CB-CB 4.18Å; A226-R283 HydrophobicContact CB-CG 3.84Å; A226-Q287 WeakPolarHBondContact O-CG 3.41Å; A226-Q287 PolarHBondContact O-NE2 3.03Å
227	I	94.6	Very high	91.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.2	-48.3	178.2	-66.3	168.5	0	0	0	110.8	L223 H224 S225 A229 A230 R231 I237 I286 L290 V305 I307	L223-I227 HydrophobicContact CD1-CD1 3.97Å; L223-I227 HydrophobicContact CG-CD1 4.25Å; L223-I227 WeakPolarHBondContact O-CG1 3.44Å; L223-I227 PolarHBondContact O-N 2.75Å; H224-I227 PolarHBondContact O-N 2.96Å; S225-I227 VanDerWaalsContact C-N 3.34Å; S225-I227 PolarHBondContact O-N 3.37Å; I227-A229 PolarHBondContact O-N 3.48Å; I227-A230 PolarHBondContact O-N 2.93Å; I227-A230 VanDerWaalsContact O-N 3.14Å; I227-R231 WeakPolarHBondContact O-CB 3.34Å; I227-R231 PolarHBondContact O-N 2.86Å; I227-I237 HydrophobicContact CB-CD1 3.77Å; I227-I237 HydrophobicContact CD1-CG2 4.38Å; I227-I237 HydrophobicContact CG2-CD1 3.46Å; I227-I237 VanDerWaalsContact CG2-CD1 3.46Å; I227-I237 HydrophobicContact CG2-CG1 4.26Å; I227-I286 HydrophobicContact CG1-CG2 4.02Å; I227-L290 HydrophobicContact CG1-CD2 4.31Å; I227-L290 HydrophobicContact CG2-CD2 3.81Å; I227-V305 HydrophobicContact CD1-CG1 3.99Å; I227-I307 HydrophobicContact CG2-CD1 3.52Å; I227-I307 HydrophobicContact CG2-CG1 4.25Å
228	Y	95.1	Very high	92.1	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-59.7	-32.9	179.6	-79.1	-51.3	0	0	0	113.4	T170 R172 F180 H224 S225 R231 A234 K235 I237	T170-Y228 VanDerWaalsContact C-OH 3.3Å; T170-Y228 WeakPolarHBondContact CB-OH 3.32Å; T170-Y228 PolarHBondContact O-OH 3.44Å; T170-Y228 WeakPolarHBondContact OG1-CE2 3.44Å; T170-Y228 PolarHBondContact OG1-OH 3.16Å; R172-Y228 HydrophobicContact CB-CE1 4.21Å; R172-Y228 PolarHBondContact NH2-O 3.39Å; F180-Y228 HydrophobicContact CD1-CD1 4.33Å; F180-Y228 AromaticContact CD1-CD2 3.53Å; F180-Y228 HydrophobicContact CD1-CD2 3.53Å; F180-Y228 HydrophobicContact CD1-CE1 4.08Å; F180-Y228 AromaticContact CD1-CE2 3.21Å; F180-Y228 HydrophobicContact CD1-CE2 3.21Å; F180-Y228 HydrophobicContact CD1-CG 4.09Å; F180-Y228 AromaticContact CD1-CZ 3.52Å; F180-Y228 AromaticContact CE1-CD1 3.65Å; F180-Y228 HydrophobicContact CE1-CD1 3.65Å; F180-Y228 AromaticContact CE1-CD2 3.24Å; F180-Y228 HydrophobicContact CE1-CD2 3.24Å; F180-Y228 AromaticContact CE1-CE1 3.82Å; F180-Y228 HydrophobicContact CE1-CE1 3.82Å; F180-Y228 AromaticContact CE1-CE2 3.44Å; F180-Y228 HydrophobicContact CE1-CE2 3.44Å; F180-Y228 VanDerWaalsContact CE1-CE2 3.44Å; F180-Y228 AromaticContact CE1-CG 3.36Å; F180-Y228 HydrophobicContact CE1-CG 3.36Å; F180-Y228 AromaticContact CE1-CZ 3.71Å; F180-Y228 HydrophobicContact CE2-CD2 4.44Å; F180-Y228 HydrophobicContact CG-CD2 4.24Å; F180-Y228 AromaticContact CG-CE2 3.98Å; F180-Y228 HydrophobicContact CG-CE2 3.98Å; F180-Y228 HydrophobicContact CZ-CD1 4.46Å; F180-Y228 AromaticContact CZ-CD2 3.77Å; F180-Y228 HydrophobicContact CZ-CD2 3.77Å; F180-Y228 HydrophobicContact CZ-CE2 4.34Å; F180-Y228 AromaticContact CZ-CG 3.84Å; F180-Y228 HydrophobicContact CZ-CG 3.84Å; H224-Y228 HydrophobicContact CB-CD2 4.41Å; H224-Y228 HydrophobicContact CB-CE2 4.35Å; H224-Y228 WeakPolarHBondContact O-CB 3.4Å; H224-Y228 WeakPolarHBondContact O-CD2 3.28Å; H224-Y228 PolarHBondContact O-N 2.8Å; S225-Y228 PolarHBondContact O-N 2.96Å; Y228-R231 CarbonylContact O-C 3.57Å; Y228-A234 HydrophobicContact CD1-CB 4.05Å; Y228-A234 WeakPolarHBondContact CD1-O 3.32Å; Y228-A234 HydrophobicContact CE1-CB 4.27Å; Y228-A234 WeakPolarHBondContact CE1-O 3.46Å; Y228-K235 WeakPolarHBondContact CE1-O 3.31Å; Y228-K235 PolarHBondContact OH-O 3.33Å; Y228-I237 HydrophobicContact CD1-CD1 3.54Å; Y228-I237 HydrophobicContact CD1-CG1 4.2Å; Y228-I237 HydrophobicContact CD2-CD1 3.71Å; Y228-I237 HydrophobicContact CE1-CD1 3.51Å; Y228-I237 HydrophobicContact CE1-CG1 3.71Å; Y228-I237 HydrophobicContact CE2-CD1 3.68Å; Y228-I237 HydrophobicContact CE2-CG1 4.29Å; Y228-I237 HydrophobicContact CG-CD1 3.65Å
229	A	91.9	Very high	92.7	Very high	48 Å²	48	20 Å²	20	40%	0.397	12%	0.123	S	C	.	.	H	α-helix	trans	-69.8	-32.6	177.1	0	0	0	0	0	113.5	L202 S225 I227	L202-A229 HydrophobicContact CD2-CB 4.42Å; S225-A229 VanDerWaalsContact O-CB 3.32Å; S225-A229 WeakPolarHBondContact O-CB 3.23Å; S225-A229 PolarHBondContact O-N 3.45Å; I227-A229 PolarHBondContact O-N 3.48Å
230	A	91.6	Very high	93.4	Very high	38 Å²	38	19.7 Å²	19.7	31%	0.314	12%	0.12	S	C	.	.	H	α-helix	trans	-89.6	-19.7	174.4	0	0	0	0	0	114.2	I227 P232 Q287	I227-A230 PolarHBondContact O-N 2.93Å; I227-A230 VanDerWaalsContact O-N 3.14Å; A230-P232 WeakPolarHBondContact O-CD 3.1Å; A230-Q287 HydrophobicContact CB-CB 3.76Å; A230-Q287 HydrophobicContact CB-CG 3.41Å; A230-Q287 VanDerWaalsContact CB-CG 3.41Å
231	R	91.9	Very high	93.9	Very high	8 Å²	8	20.8 Å²	20.8	3%	0.03	12%	0.121	C	C	.	.			trans	-123.1	82.1	-176.7	-63.2	-64.1	-67.4	-83.4	-13	111.1	R172 I227 Y228 D233 A234 L290 G291 S294	R172-R231 PolarHBondContact NH2-O 3.35Å; I227-R231 WeakPolarHBondContact O-CB 3.34Å; I227-R231 PolarHBondContact O-N 2.86Å; Y228-R231 CarbonylContact O-C 3.57Å; R231-D233 WeakPolarHBondContact CA-OD1 3.12Å; R231-D233 WeakPolarHBondContact CB-OD1 2.85Å; R231-D233 IonicContact CZ-OD1 3.91Å; R231-D233 IonicContact CZ-OD2 3.2Å; R231-D233 IonicContact NE-OD1 3.51Å; R231-D233 PolarHBondContact NE-OD1 2.77Å; R231-D233 IonicContact NE-OD2 3.83Å; R231-D233 PolarHBondContact NE-OD2 3.49Å; R231-D233 IonicContact NH2-OD1 2.78Å; R231-D233 IonicContact NH2-OD2 3.99Å; R231-D233 PolarHBondContact NH2-OD2 3.48Å; R231-D233 PolarHBondContact O-N 3.12Å; R231-A234 HydrophobicContact CB-CB 3.72Å; R231-A234 VanDerWaalsContact O-CB 3.26Å; R231-A234 WeakPolarHBondContact O-CB 3.46Å; R231-A234 PolarHBondContact O-N 2.95Å; R231-L290 HydrophobicContact CG-CD2 3.85Å; R231-G291 PolarHBondContact NH1-O 2.57Å; R231-S294 PolarHBondContact NH1-O 3.38Å; R231-S294 PolarHBondContact NH2-O 3.39Å
232	P	91.8	Very high	94	Very high	92 Å²	92	21.4 Å²	21.4	60%	0.597	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.3	171	-24.7	35.3	0	0	0	113.7	A230	A230-P232 WeakPolarHBondContact O-CD 3.1Å
233	D	92.4	Very high	94.1	Very high	54 Å²	54	23.5 Å²	23.5	29%	0.289	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-31	172.5	61.9	-60	0	0	0	113	R231 K235 E309	R231-D233 WeakPolarHBondContact CA-OD1 3.12Å; R231-D233 WeakPolarHBondContact CB-OD1 2.85Å; R231-D233 IonicContact CZ-OD1 3.91Å; R231-D233 IonicContact CZ-OD2 3.2Å; R231-D233 IonicContact NE-OD1 3.51Å; R231-D233 PolarHBondContact NE-OD1 2.77Å; R231-D233 IonicContact NE-OD2 3.83Å; R231-D233 PolarHBondContact NE-OD2 3.49Å; R231-D233 IonicContact NH2-OD1 2.78Å; R231-D233 IonicContact NH2-OD2 3.99Å; R231-D233 PolarHBondContact NH2-OD2 3.48Å; R231-D233 PolarHBondContact O-N 3.12Å; D233-K235 PolarHBondContact O-N 2.91Å; D233-E309 HydrophobicContact CB-CG 4.44Å; D233-E309 WeakPolarHBondContact O-CG 3.44Å
234	A	94.8	Very high	94.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.152	C	C	.	.			trans	-63.9	117.8	178.6	0	0	0	0	0	110.5	R172 Y228 R231 I237 I307	R172-A234 PolarHBondContact NE-O 3.22Å; R172-A234 PolarHBondContact NH2-O 3.47Å; Y228-A234 HydrophobicContact CD1-CB 4.05Å; Y228-A234 WeakPolarHBondContact CD1-O 3.32Å; Y228-A234 HydrophobicContact CE1-CB 4.27Å; Y228-A234 WeakPolarHBondContact CE1-O 3.46Å; R231-A234 HydrophobicContact CB-CB 3.72Å; R231-A234 VanDerWaalsContact O-CB 3.26Å; R231-A234 WeakPolarHBondContact O-CB 3.46Å; R231-A234 PolarHBondContact O-N 2.95Å; A234-I237 HydrophobicContact CB-CG1 4.48Å; A234-I307 HydrophobicContact CB-CG2 3.45Å; A234-I307 VanDerWaalsContact CB-CG2 3.45Å
235	K	96	Very high	94	Very high	82 Å²	82	23.5 Å²	23.5	36%	0.357	15%	0.152	S	C	.	.			trans	-104	-50.3	171	-56.3	-161.2	-158.9	65.6	0	111	V171 R172 Y228 D233 G308 E309	V171-K235 CarbonylContact C-O 3.56Å; V171-K235 VanDerWaalsContact CA-O 3.29Å; V171-K235 WeakPolarHBondContact CA-O 3.38Å; R172-K235 HydrophobicContact CB-CB 4.44Å; R172-K235 PolarHBondContact N-O 2.95Å; Y228-K235 WeakPolarHBondContact CE1-O 3.31Å; Y228-K235 PolarHBondContact OH-O 3.33Å; D233-K235 PolarHBondContact O-N 2.91Å; K235-G308 PolarHBondContact N-O 3.27Å; K235-E309 VanDerWaalsContact CD-O 3.24Å; K235-E309 WeakPolarHBondContact CD-O 3.36Å; K235-E309 WeakPolarHBondContact CG-O 3.42Å; K235-E309 PolarHBondContact NZ-O 2.94Å
236	C	97.8	Very high	93.9	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.6	175.1	-167	0	0	0	0	110.8	T170 V171 I307 G308 T310 V311 A314	T170-C236 VanDerWaalsContact O-CA 3.31Å; T170-C236 WeakPolarHBondContact O-CA 3.46Å; T170-C236 PolarHBondContact O-SG 3.39Å; V171-C236 HydrophobicContact CG2-CB 4.23Å; C236-I307 WeakPolarHBondContact O-CA 3.3Å; C236-G308 PolarHBondContact N-O 3.34Å; C236-G308 PolarHBondContact O-N 2.82Å; C236-T310 WeakPolarHBondContact CB-O 3.26Å; C236-V311 HydrophobicContact CB-CG2 4.39Å; C236-A314 HydrophobicContact CB-CB 3.74Å
237	I	97.9	Very high	93.8	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.6	171.8	-56.9	173.2	0	0	0	107.3	T170 I227 Y228 A234 V305 S306	T170-I237 PolarHBondContact N-O 3.45Å; T170-I237 PolarHBondContact O-N 3.02Å; T170-I237 VanDerWaalsContact O-N 3.1Å; I227-I237 HydrophobicContact CB-CD1 3.77Å; I227-I237 HydrophobicContact CD1-CG2 4.38Å; I227-I237 HydrophobicContact CG2-CD1 3.46Å; I227-I237 VanDerWaalsContact CG2-CD1 3.46Å; I227-I237 HydrophobicContact CG2-CG1 4.26Å; Y228-I237 HydrophobicContact CD1-CD1 3.54Å; Y228-I237 HydrophobicContact CD1-CG1 4.2Å; Y228-I237 HydrophobicContact CD2-CD1 3.71Å; Y228-I237 HydrophobicContact CE1-CD1 3.51Å; Y228-I237 HydrophobicContact CE1-CG1 3.71Å; Y228-I237 HydrophobicContact CE2-CD1 3.68Å; Y228-I237 HydrophobicContact CE2-CG1 4.29Å; Y228-I237 HydrophobicContact CG-CD1 3.65Å; A234-I237 HydrophobicContact CB-CG1 4.48Å; I237-V305 HydrophobicContact CG2-CG1 4Å; I237-S306 WeakPolarHBondContact CA-O 3.27Å
238	V	97.8	Very high	93.7	Very high	1 Å²	1	26 Å²	26	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.6	-177.4	176.9	0	0	0	0	108	F152 L169 I240 V305 S306 A314 I318	F152-V238 HydrophobicContact CD1-CG2 4.34Å; F152-V238 HydrophobicContact CE1-CG2 3.32Å; F152-V238 HydrophobicContact CE2-CG1 4.48Å; F152-V238 HydrophobicContact CE2-CG2 4.42Å; F152-V238 HydrophobicContact CZ-CB 4.3Å; F152-V238 HydrophobicContact CZ-CG1 4.02Å; F152-V238 HydrophobicContact CZ-CG2 3.37Å; L169-V238 HydrophobicContact CD1-CG1 4.31Å; L169-V238 HydrophobicContact CD2-CG2 4.46Å; L169-V238 HydrophobicContact CG-CB 4.41Å; L169-V238 HydrophobicContact CG-CG1 4Å; L169-V238 HydrophobicContact CG-CG2 4.18Å; V238-I240 HydrophobicContact CG1-CG2 4.11Å; V238-V305 CarbonylContact O-C 3.56Å; V238-V305 WeakPolarHBondContact O-CA 3.26Å; V238-S306 PolarHBondContact N-O 3.3Å; V238-S306 PolarHBondContact O-N 3.32Å; V238-A314 HydrophobicContact CG2-CB 3.88Å; V238-I318 HydrophobicContact CB-CD1 4.39Å; V238-I318 HydrophobicContact CG1-CB 4.08Å; V238-I318 HydrophobicContact CG1-CD1 3.99Å; V238-I318 HydrophobicContact CG1-CG1 3.76Å; V238-I318 HydrophobicContact CG1-CG2 4.13Å
239	H	96.4	Very high	93.6	Very high	7 Å²	7	26 Å²	26	3%	0.032	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.9	173.3	177.3	34.2	0	0	0	109.4	H168 L223 H224 H241 H302 L304 V305	H168-H239 PolarHBondContact N-O 3.37Å; H168-H239 VanDerWaalsContact N-O 3.09Å; H168-H239 AromaticContact ND1-CD2 3.85Å; H168-H239 PolarHBondContact O-N 2.77Å; L223-H239 HydrophobicContact CD2-CB 4.35Å; H224-H239 WeakPolarHBondContact NE2-CB 3.39Å; H239-H241 AromaticContact CE1-NE2 3.26Å; H239-H241 PolarHBondContact CE1-NE2 2.86Å; H239-H241 VanDerWaalsContact CE1-NE2 3.26Å; H239-H241 AromaticContact NE2-CE1 3.96Å; H239-H241 AromaticContact NE2-NE2 3.55Å; H239-H302 AromaticContact NE2-CE1 3.96Å; H239-H302 AromaticContact NE2-NE2 3.96Å; H239-L304 WeakPolarHBondContact CA-O 3.34Å; H239-L304 PolarHBondContact ND1-O 2.8Å; H239-L304 VanDerWaalsContact ND1-O 3.07Å; H239-V305 HydrophobicContact CB-CG2 4.16Å
240	I	94.9	Very high	93.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.3	-179.3	59.8	172	0	0	0	113.1	W161 N167 L169 V238 T242 L304 I318 V322	W161-I240 HydrophobicContact CB-CD1 4.11Å; W161-I240 HydrophobicContact CD2-CD1 4.18Å; W161-I240 HydrophobicContact CE3-CD1 4.16Å; W161-I240 HydrophobicContact CG-CD1 4.18Å; N167-I240 HydrophobicContact CB-CG2 4.23Å; L169-I240 HydrophobicContact CD1-CG2 4.41Å; V238-I240 HydrophobicContact CG1-CG2 4.11Å; I240-T242 HydrophobicContact CD1-CG2 3.97Å; I240-T242 HydrophobicContact CG1-CG2 4.5Å; I240-L304 HydrophobicContact CG1-CB 4.33Å; I240-L304 PolarHBondContact N-O 3.48Å; I240-L304 PolarHBondContact O-N 3.09Å; I240-L304 VanDerWaalsContact O-N 3.08Å; I240-I318 HydrophobicContact CD1-CD1 4.23Å; I240-I318 HydrophobicContact CD1-CG1 3.49Å; I240-I318 VanDerWaalsContact CD1-CG1 3.49Å; I240-I318 HydrophobicContact CG1-CD1 4.04Å; I240-I318 HydrophobicContact CG1-CG1 3.84Å; I240-V322 HydrophobicContact CD1-CG2 3.61Å
241	H	92.6	Very high	93.4	Very high	37 Å²	37	23.7 Å²	23.7	17%	0.171	15%	0.151	C	C	.	.			trans	-99.7	121.2	163.3	-55.3	135	0	0	0	110.7	E163 N167 H239 H302	E163-H241 HydrophobicContact CB-CB 4.43Å; E163-H241 IonicContact OE2-CE1 2.77Å; E163-H241 IonicContact OE2-CG 2.7Å; E163-H241 IonicContact OE2-ND1 3.17Å; E163-H241 PolarHBondContact OE2-ND1 3.08Å; N167-H241 PolarHBondContact OD1-N 2.97Å; N167-H241 PolarHBondContact OD1-ND1 2.85Å; H239-H241 AromaticContact CE1-NE2 3.26Å; H239-H241 PolarHBondContact CE1-NE2 2.86Å; H239-H241 VanDerWaalsContact CE1-NE2 3.26Å; H239-H241 AromaticContact NE2-CE1 3.96Å; H239-H241 AromaticContact NE2-NE2 3.55Å; H241-H302 PolarHBondContact CD2-O 3.25Å; H241-H302 AromaticContact CE1-CD2 3.76Å; H241-H302 AromaticContact CE1-NE2 3.68Å; H241-H302 AromaticContact NE2-CD2 3.18Å; H241-H302 PolarHBondContact NE2-CD2 3.48Å; H241-H302 AromaticContact NE2-NE2 3.42Å; H241-H302 PolarHBondContact NE2-NE2 3.46Å
242	T	93.3	Very high	93.1	Very high	16 Å²	16	31.9 Å²	31.9	10%	0.098	19%	0.187	C	C	.	.			trans	-126.9	151.2	166.1	69.4	0	0	0	0	108.2	W161 I240 A244 G245 A246 V322	W161-T242 HydrophobicContact CB-CG2 4.12Å; W161-T242 HydrophobicContact CG-CG2 4.14Å; I240-T242 HydrophobicContact CD1-CG2 3.97Å; I240-T242 HydrophobicContact CG1-CG2 4.5Å; T242-A244 VanDerWaalsContact C-N 3.33Å; T242-A244 PolarHBondContact O-N 3Å; T242-G245 PolarHBondContact O-N 3.49Å; T242-G245 VanDerWaalsContact O-N 3.12Å; T242-G245 PolarHBondContact OG1-N 3.48Å; T242-G245 VanDerWaalsContact OG1-N 3.15Å; T242-A246 WeakPolarHBondContact O-CB 3.45Å; T242-A246 PolarHBondContact O-N 3.16Å; T242-V322 HydrophobicContact CG2-CG1 4.26Å; T242-V322 HydrophobicContact CG2-CG2 4Å
243	A	90.9	Very high	92.7	Very high	93 Å²	93	30.6 Å²	30.6	77%	0.769	18%	0.18	S	C	*	.	H	α-helix	trans	-57.5	-44.6	-175.7	0	0	0	0	0	112.5	A247	A243-A247 VanDerWaalsContact O-CB 3.29Å; A243-A247 WeakPolarHBondContact O-CB 3.45Å; A243-A247 PolarHBondContact O-N 3.42Å
244	A	92.3	Very high	92.7	Very high	11 Å²	11	28 Å²	28	9%	0.091	17%	0.166	C	C	.	.	H	α-helix	trans	-68.1	-38.5	176.2	0	0	0	0	0	112.6	T242 A247 V248 C325 E326 W329	T242-A244 VanDerWaalsContact C-N 3.33Å; T242-A244 PolarHBondContact O-N 3Å; A244-A247 PolarHBondContact O-N 3.31Å; A244-V248 WeakPolarHBondContact O-CB 3.28Å; A244-V248 WeakPolarHBondContact O-CG2 3.39Å; A244-V248 PolarHBondContact O-N 3.12Å; A244-C325 HydrophobicContact CB-CB 4.18Å; A244-E326 HydrophobicContact CB-CB 4.36Å; A244-E326 HydrophobicContact CB-CG 3.7Å; A244-W329 HydrophobicContact CB-CB 4.14Å
245	G	93.7	Very high	92.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-48.7	176.6	0	0	0	0	0	112.7	T242 A247 V248 S249	T242-G245 PolarHBondContact O-N 3.49Å; T242-G245 VanDerWaalsContact O-N 3.12Å; T242-G245 PolarHBondContact OG1-N 3.48Å; T242-G245 VanDerWaalsContact OG1-N 3.15Å; G245-A247 VanDerWaalsContact C-N 3.34Å; G245-A247 PolarHBondContact O-N 3.33Å; G245-V248 PolarHBondContact O-N 3.03Å; G245-S249 WeakPolarHBondContact O-CB 3.41Å; G245-S249 PolarHBondContact O-N 3.37Å
246	A	91.1	Very high	92.1	Very high	35 Å²	35	28 Å²	28	29%	0.289	17%	0.169	S	C	.	.	H	α-helix	trans	-60	-44.3	175.3	0	0	0	0	0	111.2	T242 S249 A250	T242-A246 WeakPolarHBondContact O-CB 3.45Å; T242-A246 PolarHBondContact O-N 3.16Å; A246-S249 PolarHBondContact O-N 2.85Å; A246-S249 PolarHBondContact O-OG 3.17Å; A246-A250 PolarHBondContact O-N 3.47Å
247	A	90.8	Very high	91.6	Very high	23 Å²	23	32.6 Å²	32.6	19%	0.19	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-51.9	176.6	0	0	0	0	0	112.5	A243 A244 G245 S249 A250 M251 W329	A243-A247 VanDerWaalsContact O-CB 3.29Å; A243-A247 WeakPolarHBondContact O-CB 3.45Å; A243-A247 PolarHBondContact O-N 3.42Å; A244-A247 PolarHBondContact O-N 3.31Å; G245-A247 VanDerWaalsContact C-N 3.34Å; G245-A247 PolarHBondContact O-N 3.33Å; A247-S249 VanDerWaalsContact C-N 3.28Å; A247-S249 PolarHBondContact O-N 3.06Å; A247-A250 PolarHBondContact O-N 2.92Å; A247-A250 VanDerWaalsContact O-N 3.08Å; A247-M251 WeakPolarHBondContact O-CG 3.44Å; A247-M251 PolarHBondContact O-N 3.44Å; A247-M251 VanDerWaalsContact O-N 3.15Å; A247-W329 HydrophobicContact CB-CD2 4.19Å; A247-W329 HydrophobicContact CB-CE3 3.46Å; A247-W329 VanDerWaalsContact CB-CE3 3.46Å; A247-W329 HydrophobicContact CB-CH2 4.34Å; A247-W329 HydrophobicContact CB-CZ3 3.55Å
248	V	92.3	Very high	90.9	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-32.7	178.1	171.6	0	0	0	0	112	A244 G245 A250 M251 L255 C325 Q328	A244-V248 WeakPolarHBondContact O-CB 3.28Å; A244-V248 WeakPolarHBondContact O-CG2 3.39Å; A244-V248 PolarHBondContact O-N 3.12Å; G245-V248 PolarHBondContact O-N 3.03Å; V248-A250 VanDerWaalsContact C-N 3.28Å; V248-A250 PolarHBondContact O-N 2.79Å; V248-M251 HydrophobicContact CG2-SD 4.09Å; V248-M251 PolarHBondContact O-N 3.32Å; V248-L255 HydrophobicContact CG1-CB 4.14Å; V248-L255 HydrophobicContact CG1-CD1 4.14Å; V248-C325 HydrophobicContact CB-CB 4.31Å; V248-C325 HydrophobicContact CG2-CB 4.05Å; V248-Q328 HydrophobicContact CG2-CB 4.24Å; V248-Q328 HydrophobicContact CG2-CG 4.1Å
249	S	93.9	Very high	90.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-34.6	173.6	85.1	0	0	0	0	113	G245 A246 A247 L299 R300 N301 H302	G245-S249 WeakPolarHBondContact O-CB 3.41Å; G245-S249 PolarHBondContact O-N 3.37Å; A246-S249 PolarHBondContact O-N 2.85Å; A246-S249 PolarHBondContact O-OG 3.17Å; A247-S249 VanDerWaalsContact C-N 3.28Å; A247-S249 PolarHBondContact O-N 3.06Å; S249-L299 VanDerWaalsContact CB-O 3.31Å; S249-L299 WeakPolarHBondContact CB-O 3.42Å; S249-L299 PolarHBondContact OG-O 3.31Å; S249-R300 WeakPolarHBondContact O-CD 3.37Å; S249-R300 PolarHBondContact O-NH1 2.9Å; S249-N301 PolarHBondContact OG-N 3.31Å; S249-N301 VanDerWaalsContact OG-N 3.12Å; S249-H302 PolarHBondContact OG-N 2.94Å
250	A	90.2	Very high	89.5	Confident	19 Å²	19	40.6 Å²	40.6	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-84.6	-13.6	178.6	0	0	0	0	0	113.5	A246 A247 V248 K252	A246-A250 PolarHBondContact O-N 3.47Å; A247-A250 PolarHBondContact O-N 2.92Å; A247-A250 VanDerWaalsContact O-N 3.08Å; V248-A250 VanDerWaalsContact C-N 3.28Å; V248-A250 PolarHBondContact O-N 2.79Å; A250-K252 PolarHBondContact O-N 2.64Å
251	M	88	Confident	89.3	Confident	19 Å²	19	43 Å²	43	9%	0.094	26%	0.259	C	S	.	.	S	Bend	trans	-69.6	129.4	173.5	-65	179.7	76.2	0	0	110.4	A247 V248 C253 G254 R300 Q328 E332	A247-M251 WeakPolarHBondContact O-CG 3.44Å; A247-M251 PolarHBondContact O-N 3.44Å; A247-M251 VanDerWaalsContact O-N 3.15Å; V248-M251 HydrophobicContact CG2-SD 4.09Å; V248-M251 PolarHBondContact O-N 3.32Å; M251-C253 PolarHBondContact O-N 3.47Å; M251-C253 VanDerWaalsContact O-N 3.09Å; M251-G254 PolarHBondContact O-N 2.85Å; M251-R300 PolarHBondContact O-NH1 2.88Å; M251-Q328 HydrophobicContact SD-CG 4.47Å; M251-Q328 PolarHBondContact SD-NE2 2.84Å; M251-E332 HydrophobicContact CE-CG 3.9Å; M251-E332 WeakPolarHBondContact CE-OE1 3.34Å; M251-E332 WeakPolarHBondContact CE-OE2 3.31Å
252	K	85.8	Confident	88.9	Confident	180 Å²	180	41.7 Å²	41.7	78%	0.783	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-40.8	179.3	-176.4	176.3	179.8	178.4	0	113.2	A250 G254 R300	A250-K252 PolarHBondContact O-N 2.64Å; K252-G254 VanDerWaalsContact C-N 3.3Å; K252-G254 PolarHBondContact O-N 3.49Å; K252-R300 PolarHBondContact O-NH2 3.43Å; K252-R300 VanDerWaalsContact O-NH2 3.1Å
253	C	84.2	Confident	88.4	Confident	65 Å²	65	46.3 Å²	46.3	44%	0.439	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.7	178.1	60.3	0	0	0	0	114.8	M251 L256	M251-C253 PolarHBondContact O-N 3.47Å; M251-C253 VanDerWaalsContact O-N 3.09Å; C253-L256 HydrophobicContact CB-CD2 3.9Å
254	G	91.1	Very high	88.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.253	C	S	.	.			trans	65	-150.1	-170	0	0	0	0	0	112.1	M251 K252 Q328	M251-G254 PolarHBondContact O-N 2.85Å; K252-G254 VanDerWaalsContact C-N 3.3Å; K252-G254 PolarHBondContact O-N 3.49Å; G254-Q328 PolarHBondContact O-NE2 3.24Å
255	L	91.9	Very high	88	Confident	19 Å²	19	43.4 Å²	43.4	10%	0.099	25%	0.25	C	S	.	.	S	Bend	trans	-74.2	131.2	174.6	-171.6	72.5	0	0	0	111	V248 A262 L265 V268 Y270 I298 L321 A324	V248-L255 HydrophobicContact CG1-CB 4.14Å; V248-L255 HydrophobicContact CG1-CD1 4.14Å; L255-A262 HydrophobicContact CD2-CB 4.34Å; L255-A262 HydrophobicContact CG-CB 4.48Å; L255-L265 HydrophobicContact CD2-CD1 3.56Å; L255-V268 HydrophobicContact CD2-CG2 4.45Å; L255-Y270 PolarHBondContact N-OH 3.44Å; L255-I298 HydrophobicContact CB-CD1 3.84Å; L255-L321 HydrophobicContact CD2-CD1 3.95Å; L255-A324 HydrophobicContact CD1-CB 3.94Å; L255-A324 HydrophobicContact CD2-CB 4.3Å
256	L	87.9	Confident	87.7	Confident	62 Å²	62	46.2 Å²	46.2	33%	0.325	28%	0.279	S	S	.	.			trans	-101.3	145.3	-179.8	-61.1	173	0	0	0	111	C253 I258 A262	C253-L256 HydrophobicContact CB-CD2 3.9Å; L256-I258 HydrophobicContact CB-CD1 4.28Å; L256-I258 HydrophobicContact CB-CG1 4.13Å; L256-I258 HydrophobicContact CB-CG2 3.82Å; L256-I258 PolarHBondContact O-N 2.89Å; L256-A262 WeakPolarHBondContact O-CB 3.28Å
257	P	86.1	Confident	87.6	Confident	96 Å²	96	50.3 Å²	50.3	62%	0.623	29%	0.292	S	S	*	.	S	Bend	trans	-77.6	59.2	178.1	33.3	-36.6	0	0	0	112.1	L263	P257-L263 HydrophobicContact CB-CD2 3.75Å; P257-L263 HydrophobicContact CB-CG 4.46Å
258	I	83.6	Confident	87.7	Confident	71 Å²	71	50.9 Å²	50.9	36%	0.364	29%	0.293	S	S	.	.			trans	-110.6	11	-171.2	61.8	172.8	0	0	0	114.2	L256 Q328 K331	L256-I258 HydrophobicContact CB-CD1 4.28Å; L256-I258 HydrophobicContact CB-CG1 4.13Å; L256-I258 HydrophobicContact CB-CG2 3.82Å; L256-I258 PolarHBondContact O-N 2.89Å; I258-Q328 HydrophobicContact CD1-CB 4.05Å; I258-Q328 HydrophobicContact CD1-CG 4.09Å; I258-K331 HydrophobicContact CD1-CD 4.01Å; I258-K331 PolarHBondContact O-NZ 3.24Å
259	S	83.3	Confident	87.9	Confident	10 Å²	10	51.5 Å²	51.5	7%	0.07	30%	0.298	C	S	.	.	S	Bend	trans	-153.9	160.5	174.5	85.6	0	0	0	0	111.3	E261 A262 L263	S259-E261 WeakPolarHBondContact CB-OE2 3.34Å; S259-E261 PolarHBondContact O-N 3.49Å; S259-E261 PolarHBondContact OG-N 3.48Å; S259-E261 PolarHBondContact OG-OE2 3Å; S259-A262 PolarHBondContact O-N 2.9Å; S259-A262 PolarHBondContact OG-N 3.31Å; S259-L263 WeakPolarHBondContact O-CG 3.18Å; S259-L263 PolarHBondContact O-N 2.95Å; S259-L263 VanDerWaalsContact O-N 3.11Å
260	P	81.3	Confident	87.9	Confident	96 Å²	96	54.4 Å²	54.4	62%	0.623	31%	0.309	S	S	*	.	H	α-helix	trans	-58.8	-35.1	175.5	-23.6	35	0	0	0	113	L263 S264	P260-L263 PolarHBondContact O-N 3.5Å; P260-S264 WeakPolarHBondContact O-CB 3.37Å; P260-S264 PolarHBondContact O-N 3.3Å
261	E	90.3	Very high	88.1	Confident	52 Å²	52	53.7 Å²	53.7	24%	0.243	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-48.4	178.6	-52.9	71.6	-152.5	0	0	109.9	S259 L263 S264 N320 T323 A324 I327	S259-E261 WeakPolarHBondContact CB-OE2 3.34Å; S259-E261 PolarHBondContact O-N 3.49Å; S259-E261 PolarHBondContact OG-N 3.48Å; S259-E261 PolarHBondContact OG-OE2 3Å; E261-L263 VanDerWaalsContact C-N 3.32Å; E261-L263 PolarHBondContact O-N 3.15Å; E261-S264 WeakPolarHBondContact O-CB 3.16Å; E261-S264 PolarHBondContact O-N 2.75Å; E261-S264 VanDerWaalsContact O-N 3.13Å; E261-S264 PolarHBondContact O-OG 3.3Å; E261-N320 HydrophobicContact CB-CB 4.26Å; E261-T323 HydrophobicContact CG-CG2 4.01Å; E261-A324 HydrophobicContact CB-CB 4.16Å; E261-I327 HydrophobicContact CG-CD1 4.45Å; E261-I327 VanDerWaalsContact OE2-CD1 3.23Å; E261-I327 WeakPolarHBondContact OE2-CD1 3.09Å
262	A	85.8	Confident	88.2	Confident	9 Å²	9	57.5 Å²	57.5	7%	0.074	32%	0.323	C	S	.	.	H	α-helix	trans	-59.2	-41.7	175.9	0	0	0	0	0	112.3	L255 L256 S259 S264 A324	L255-A262 HydrophobicContact CD2-CB 4.34Å; L255-A262 HydrophobicContact CG-CB 4.48Å; L256-A262 WeakPolarHBondContact O-CB 3.28Å; S259-A262 PolarHBondContact O-N 2.9Å; S259-A262 PolarHBondContact OG-N 3.31Å; A262-S264 VanDerWaalsContact C-N 3.33Å; A262-S264 PolarHBondContact O-N 3.09Å; A262-A324 HydrophobicContact CB-CB 3.87Å
263	L	81.6	Confident	88.2	Confident	113 Å²	113	52 Å²	52	59%	0.592	30%	0.298	S	S	*	.	H	α-helix	trans	-67.4	-31.6	177.3	-70.7	167.9	0	0	0	112.7	P257 S259 P260 E261 L265 G266	P257-L263 HydrophobicContact CB-CD2 3.75Å; P257-L263 HydrophobicContact CB-CG 4.46Å; S259-L263 WeakPolarHBondContact O-CG 3.18Å; S259-L263 PolarHBondContact O-N 2.95Å; S259-L263 VanDerWaalsContact O-N 3.11Å; P260-L263 PolarHBondContact O-N 3.5Å; E261-L263 VanDerWaalsContact C-N 3.32Å; E261-L263 PolarHBondContact O-N 3.15Å; L263-L265 PolarHBondContact O-N 3.13Å; L263-G266 PolarHBondContact O-N 2.91Å
264	S	86.8	Confident	88	Confident	38 Å²	38	52.3 Å²	52.3	27%	0.266	29%	0.293	S	S	.	.	H	α-helix	trans	-67.9	-19.5	-179	76.4	0	0	0	0	114.5	P260 E261 A262 G266 N320	P260-S264 WeakPolarHBondContact O-CB 3.37Å; P260-S264 PolarHBondContact O-N 3.3Å; E261-S264 WeakPolarHBondContact O-CB 3.16Å; E261-S264 PolarHBondContact O-N 2.75Å; E261-S264 VanDerWaalsContact O-N 3.13Å; E261-S264 PolarHBondContact O-OG 3.3Å; A262-S264 VanDerWaalsContact C-N 3.33Å; A262-S264 PolarHBondContact O-N 3.09Å; S264-G266 VanDerWaalsContact C-N 3.34Å; S264-N320 PolarHBondContact OG-ND2 2.89Å
265	L	87.9	Confident	87.1	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.026	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-24	-178.3	-53.5	178.3	0	0	0	113	L255 L263 E267 V268 V296 Y317 N320 L321	L255-L265 HydrophobicContact CD2-CD1 3.56Å; L263-L265 PolarHBondContact O-N 3.13Å; L265-E267 PolarHBondContact O-N 3.34Å; L265-V268 HydrophobicContact CB-CG2 4.07Å; L265-V268 HydrophobicContact CD1-CG2 4.33Å; L265-V296 HydrophobicContact CB-CG2 4.32Å; L265-V296 HydrophobicContact CD2-CG2 4.29Å; L265-Y317 HydrophobicContact CD2-CD1 4.01Å; L265-N320 HydrophobicContact CD2-CB 3.79Å; L265-L321 HydrophobicContact CD1-CB 3.98Å; L265-L321 HydrophobicContact CD1-CD1 3.75Å; L265-L321 HydrophobicContact CD1-CG 4.45Å; L265-L321 HydrophobicContact CD2-CB 4.26Å
266	G	87.8	Confident	86.1	Confident	59 Å²	59	53.8 Å²	53.8	61%	0.608	30%	0.302	S	S	*	.			trans	70	-122.2	-176.8	0	0	0	0	0	113.1	L263 S264 V268	L263-G266 PolarHBondContact O-N 2.91Å; S264-G266 VanDerWaalsContact C-N 3.34Å; G266-V268 PolarHBondContact O-N 2.83Å
267	E	89.4	Confident	85.1	Confident	121 Å²	121	53.8 Å²	53.8	57%	0.565	30%	0.302	S	S	*	.	S	Bend	trans	-80.5	104.2	-176.4	-175.8	172.6	-145.6	0	0	111	L265 S294	L265-E267 PolarHBondContact O-N 3.34Å; E267-S294 WeakPolarHBondContact O-CB 3.31Å; E267-S294 PolarHBondContact O-OG 3.43Å
268	V	93.6	Very high	84.6	Confident	34 Å²	34	50 Å²	50	21%	0.206	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.4	176.7	174.3	0	0	0	0	110.2	L255 L265 G266 Y270 V296 I298	L255-V268 HydrophobicContact CD2-CG2 4.45Å; L265-V268 HydrophobicContact CB-CG2 4.07Å; L265-V268 HydrophobicContact CD1-CG2 4.33Å; G266-V268 PolarHBondContact O-N 2.83Å; V268-Y270 HydrophobicContact CG1-CE2 3.88Å; V268-V296 HydrophobicContact CG1-CG1 4.14Å; V268-V296 HydrophobicContact CG2-CB 4.36Å; V268-V296 HydrophobicContact CG2-CG1 4.11Å; V268-I298 HydrophobicContact CG1-CD1 3.7Å; V268-I298 HydrophobicContact CG1-CG1 3.96Å
269	S	95.4	Very high	84.5	Confident	14 Å²	14	50.7 Å²	50.7	10%	0.098	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	158.9	173.6	-77	0	0	0	0	112	N289 L290 S294 V296 L297 I298	S269-N289 WeakPolarHBondContact CB-O 3.47Å; S269-N289 PolarHBondContact OG-O 3.2Å; S269-L290 PolarHBondContact OG-O 2.76Å; S269-S294 WeakPolarHBondContact OG-CB 2.89Å; S269-V296 PolarHBondContact N-O 3.39Å; S269-L297 WeakPolarHBondContact O-CA 3.41Å; S269-I298 PolarHBondContact O-N 3.26Å
270	Y	94.5	Very high	84.4	Confident	60 Å²	60	56.2 Å²	56.2	24%	0.235	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.6	176.8	-67.6	-91.9	0	0	0	111.4	L255 V268 N289 I298	L255-Y270 PolarHBondContact N-OH 3.44Å; V268-Y270 HydrophobicContact CG1-CE2 3.88Å; Y270-N289 WeakPolarHBondContact O-CB 3.15Å; Y270-N289 PolarHBondContact O-ND2 3.2Å; Y270-I298 WeakPolarHBondContact CA-O 3.03Å; Y270-I298 HydrophobicContact CD1-CB 3.78Å; Y270-I298 HydrophobicContact CD1-CG2 3.99Å; Y270-I298 HydrophobicContact CE1-CB 3.79Å; Y270-I298 HydrophobicContact CE1-CD1 3.83Å; Y270-I298 HydrophobicContact CE1-CG1 4.32Å; Y270-I298 HydrophobicContact CE1-CG2 3.93Å
271	H	93.6	Very high	84.5	Confident	5 Å²	5	59.3 Å²	59.3	2%	0.023	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.5	169.8	-176.2	81.6	0	0	0	110.2	H274 E282 L297 I298 L299 R300	H271-H274 AromaticContact CE1-CE1 3.77Å; H271-H274 AromaticContact CE1-ND1 3.72Å; H271-H274 AromaticContact NE2-CE1 3.6Å; H271-H274 AromaticContact NE2-ND1 3.15Å; H271-H274 PolarHBondContact NE2-ND1 2.9Å; H271-H274 VanDerWaalsContact NE2-ND1 3.15Å; H271-E282 IonicContact CD2-OE1 2.6Å; H271-E282 IonicContact NE2-OE1 3.75Å; H271-E282 PolarHBondContact NE2-OE1 3Å; H271-L297 HydrophobicContact CB-CD1 4.05Å; H271-I298 PolarHBondContact N-O 2.82Å; H271-L299 HydrophobicContact CB-CD2 3.98Å; H271-R300 WeakPolarHBondContact O-CB 3.42Å; H271-R300 VanDerWaalsContact O-CG 3.28Å; H271-R300 WeakPolarHBondContact O-CG 3.22Å; H271-R300 PolarHBondContact O-N 3.33Å
272	D	90.6	Very high	84.3	Confident	98 Å²	98	57.5 Å²	57.5	52%	0.524	31%	0.307	S	S	.	.			trans	-75.7	161.3	-178.4	-60.9	-52.4	0	0	0	111.6	H274 R300	D272-H274 PolarHBondContact O-CE1 3.36Å; D272-H274 VanDerWaalsContact O-CE1 3.28Å; D272-H274 PolarHBondContact O-ND1 2.84Å; D272-R300 WeakPolarHBondContact OD1-CG 3.48Å
273	Y	84.8	Confident	84.3	Confident	64 Å²	64	60.4 Å²	60.4	25%	0.251	32%	0.316	S	S	.	.			trans	-88.6	113.7	-168.1	-170.2	-98.2	0	0	0	114	G275 H302 M357 I361	Y273-G275 WeakPolarHBondContact CE2-O 3.33Å; Y273-G275 VanDerWaalsContact CZ-O 3.27Å; Y273-G275 PolarHBondContact OH-O 2.98Å; Y273-H302 HydrophobicContact CD2-CB 3.9Å; Y273-H302 HydrophobicContact CE2-CB 3.94Å; Y273-M357 HydrophobicContact CD1-CE 4.37Å; Y273-M357 HydrophobicContact CD1-SD 4.48Å; Y273-M357 HydrophobicContact CE1-CE 4.41Å; Y273-M357 HydrophobicContact CE1-CG 4.01Å; Y273-M357 HydrophobicContact CE1-SD 3.94Å; Y273-I361 HydrophobicContact CE1-CD1 4.08Å
274	H	80.5	Confident	84.6	Confident	73 Å²	73	56.9 Å²	56.9	34%	0.338	31%	0.307	S	S	.	.			trans	-109.1	-8.9	178.2	-52.2	93.9	0	0	0	114.2	H271 D272 E282 M357 K360	H271-H274 AromaticContact CE1-CE1 3.77Å; H271-H274 AromaticContact CE1-ND1 3.72Å; H271-H274 AromaticContact NE2-CE1 3.6Å; H271-H274 AromaticContact NE2-ND1 3.15Å; H271-H274 PolarHBondContact NE2-ND1 2.9Å; H271-H274 VanDerWaalsContact NE2-ND1 3.15Å; D272-H274 PolarHBondContact O-CE1 3.36Å; D272-H274 VanDerWaalsContact O-CE1 3.28Å; D272-H274 PolarHBondContact O-ND1 2.84Å; H274-E282 HydrophobicContact CB-CG 4.48Å; H274-E282 IonicContact ND1-OE1 3.37Å; H274-M357 WeakPolarHBondContact O-CE 3.3Å; H274-K360 PolarHBondContact O-NZ 3.18Å
275	G	73.4	Confident	84.9	Confident	4 Å²	4	58.3 Å²	58.3	4%	0.041	31%	0.311	C	S	.	.			trans	145.9	-153.4	176.1	0	0	0	0	0	112.8	Y273	Y273-G275 WeakPolarHBondContact CE2-O 3.33Å; Y273-G275 VanDerWaalsContact CZ-O 3.27Å; Y273-G275 PolarHBondContact OH-O 2.98Å
276	I	69.1	Low	85	Confident	46 Å²	46	58.1 Å²	58.1	24%	0.236	31%	0.31	C	S	.	.	S	Bend	trans	-101	-39	174.2	-57.2	174.9	0	0	0	111.4	I361 N365	I276-I361 HydrophobicContact CD1-CB 4.29Å; I276-I361 HydrophobicContact CD1-CG1 4.12Å; I276-I361 HydrophobicContact CD1-CG2 4.11Å; I276-I361 HydrophobicContact CG1-CG1 4.28Å; I276-N365 WeakPolarHBondContact CD1-ND2 3.35Å
277	L	68.9	Low	85.1	Confident	62 Å²	62	58.4 Å²	58.4	33%	0.325	30%	0.296	S	S	.	.	S	Bend	trans	-86.1	115.4	177.2	-63	-178.4	0	0	0	110.5	A219 M222 D279 Q364	A219-L277 HydrophobicContact CB-CD2 3.5Å; M222-L277 HydrophobicContact CE-CB 4Å; M222-L277 HydrophobicContact CE-CD2 3.83Å; M222-L277 HydrophobicContact CE-CG 4.5Å; L277-D279 PolarHBondContact O-N 3.31Å; L277-Q364 HydrophobicContact CD1-CG 4.12Å; L277-Q364 HydrophobicContact CG-CG 4.2Å; L277-Q364 VanDerWaalsContact CG-NE2 3.32Å
278	V	75.3	Confident	85.2	Confident	16 Å²	16	60.9 Å²	60.9	10%	0.097	31%	0.305	C	S	.	.			trans	-73.7	113.4	170.5	-179.1	0	0	0	0	110	M222 L223 E282 R283 I286	M222-V278 HydrophobicContact CB-CB 4.26Å; M222-V278 VanDerWaalsContact CE-O 3.26Å; M222-V278 WeakPolarHBondContact CE-O 3Å; L223-V278 HydrophobicContact CB-CG2 4.3Å; V278-E282 WeakPolarHBondContact CA-OE2 3.22Å; V278-E282 HydrophobicContact CG1-CB 4.14Å; V278-E282 HydrophobicContact CG1-CG 4.2Å; V278-R283 HydrophobicContact CG1-CG 3.76Å; V278-I286 HydrophobicContact CG1-CD1 3.65Å; V278-I286 HydrophobicContact CG2-CD1 4.04Å
279	D	80.1	Confident	85.2	Confident	86 Å²	86	61.7 Å²	61.7	46%	0.46	31%	0.308	S	S	.	.			trans	-90.7	170.5	173.2	68.3	45.5	0	0	0	112.9	L277 E281 E282 R283	L277-D279 PolarHBondContact O-N 3.31Å; D279-E281 PolarHBondContact O-N 3.32Å; D279-E281 WeakPolarHBondContact OD1-CA 3.31Å; D279-E281 WeakPolarHBondContact OD1-CB 3.39Å; D279-E281 PolarHBondContact OD1-N 3.36Å; D279-E282 PolarHBondContact O-N 2.53Å; D279-E282 VanDerWaalsContact O-N 3.14Å; D279-E282 PolarHBondContact OD1-N 2.72Å; D279-R283 VanDerWaalsContact O-CG 3.3Å; D279-R283 WeakPolarHBondContact O-CG 3.46Å; D279-R283 PolarHBondContact O-N 3.22Å
280	D	81.3	Confident	85	Confident	125 Å²	125	61.1 Å²	61.1	67%	0.668	30%	0.304	S	S	*	.	H	α-helix	trans	-64.7	-19.4	-175.7	-79.4	-41.4	0	0	0	114.5	R283	D280-R283 WeakPolarHBondContact OD1-CD 3.37Å; D280-R283 IonicContact OD1-CZ 2.75Å; D280-R283 IonicContact OD1-NE 2.71Å; D280-R283 IonicContact OD1-NH1 3.06Å; D280-R283 PolarHBondContact OD1-NH1 3.11Å
281	E	84.3	Confident	84.7	Confident	161 Å²	161	59.3 Å²	59.3	75%	0.752	30%	0.303	S	S	*	.	H	α-helix	trans	-79.5	-45.5	170.7	-62	-169.7	-172.9	0	0	110.3	D279 R283 G284 I285	D279-E281 PolarHBondContact O-N 3.32Å; D279-E281 WeakPolarHBondContact OD1-CA 3.31Å; D279-E281 WeakPolarHBondContact OD1-CB 3.39Å; D279-E281 PolarHBondContact OD1-N 3.36Å; E281-R283 VanDerWaalsContact C-N 3.28Å; E281-R283 PolarHBondContact O-N 2.9Å; E281-G284 PolarHBondContact O-N 3.21Å; E281-G284 VanDerWaalsContact O-N 3.09Å; E281-I285 PolarHBondContact O-N 3.33Å
282	E	85.3	Confident	84.5	Confident	14 Å²	14	64.5 Å²	64.5	7%	0.065	34%	0.338	C	S	.	.	H	α-helix	trans	-59.2	-37.3	175.3	-169.3	175.2	-176.8	0	0	112	H271 H274 V278 D279 G284 I285 I286	H271-E282 IonicContact CD2-OE1 2.6Å; H271-E282 IonicContact NE2-OE1 3.75Å; H271-E282 PolarHBondContact NE2-OE1 3Å; H274-E282 HydrophobicContact CB-CG 4.48Å; H274-E282 IonicContact ND1-OE1 3.37Å; V278-E282 WeakPolarHBondContact CA-OE2 3.22Å; V278-E282 HydrophobicContact CG1-CB 4.14Å; V278-E282 HydrophobicContact CG1-CG 4.2Å; D279-E282 PolarHBondContact O-N 2.53Å; D279-E282 VanDerWaalsContact O-N 3.14Å; D279-E282 PolarHBondContact OD1-N 2.72Å; E282-G284 VanDerWaalsContact C-N 3.32Å; E282-G284 PolarHBondContact O-N 3.22Å; E282-I285 PolarHBondContact O-N 2.62Å; E282-I286 HydrophobicContact CG-CD1 4.03Å; E282-I286 HydrophobicContact CG-CG1 4.3Å; E282-I286 WeakPolarHBondContact O-CG1 3.32Å; E282-I286 PolarHBondContact O-N 3.16Å
283	R	87.2	Confident	84.4	Confident	70 Å²	70	67.3 Å²	67.3	26%	0.264	35%	0.345	S	S	.	.	H	α-helix	trans	-51.2	-50.6	171.5	-69	172.6	104.4	-175.5	4.7	111.3	S225 A226 V278 D279 D280 E281 I285 I286 Q287	S225-R283 PolarHBondContact OG-NH2 3.33Å; S225-R283 VanDerWaalsContact OG-NH2 3.11Å; A226-R283 HydrophobicContact CB-CB 4.18Å; A226-R283 HydrophobicContact CB-CG 3.84Å; V278-R283 HydrophobicContact CG1-CG 3.76Å; D279-R283 VanDerWaalsContact O-CG 3.3Å; D279-R283 WeakPolarHBondContact O-CG 3.46Å; D279-R283 PolarHBondContact O-N 3.22Å; D280-R283 WeakPolarHBondContact OD1-CD 3.37Å; D280-R283 IonicContact OD1-CZ 2.75Å; D280-R283 IonicContact OD1-NE 2.71Å; D280-R283 IonicContact OD1-NH1 3.06Å; D280-R283 PolarHBondContact OD1-NH1 3.11Å; E281-R283 VanDerWaalsContact C-N 3.28Å; E281-R283 PolarHBondContact O-N 2.9Å; R283-I285 VanDerWaalsContact C-N 3.26Å; R283-I285 PolarHBondContact O-N 2.94Å; R283-I286 PolarHBondContact O-N 3.2Å; R283-Q287 WeakPolarHBondContact O-CG 3.49Å; R283-Q287 PolarHBondContact O-N 3.35Å
284	G	87.9	Confident	84.8	Confident	39 Å²	39	64.3 Å²	64.3	40%	0.402	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-33.7	179	0	0	0	0	0	113.2	E281 E282 K288	E281-G284 PolarHBondContact O-N 3.21Å; E281-G284 VanDerWaalsContact O-N 3.09Å; E282-G284 VanDerWaalsContact C-N 3.32Å; E282-G284 PolarHBondContact O-N 3.22Å; G284-K288 WeakPolarHBondContact O-CB 3.44Å; G284-K288 PolarHBondContact O-N 2.91Å; G284-K288 VanDerWaalsContact O-N 3.14Å
285	I	91.2	Very high	85.5	Confident	69 Å²	69	62 Å²	62	35%	0.354	32%	0.323	S	S	.	.	H	α-helix	trans	-73.5	-44.5	177.1	-57	170	0	0	0	111	E281 E282 R283 Q287 K288 N289	E281-I285 PolarHBondContact O-N 3.33Å; E282-I285 PolarHBondContact O-N 2.62Å; R283-I285 VanDerWaalsContact C-N 3.26Å; R283-I285 PolarHBondContact O-N 2.94Å; I285-Q287 VanDerWaalsContact C-N 3.33Å; I285-Q287 PolarHBondContact O-N 2.89Å; I285-K288 PolarHBondContact O-N 3.42Å; I285-N289 WeakPolarHBondContact O-CB 3.47Å; I285-N289 VanDerWaalsContact O-CG 3.29Å; I285-N289 PolarHBondContact O-N 2.99Å; I285-N289 PolarHBondContact O-OD1 2.79Å
286	I	90.5	Very high	86.6	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-56.9	-48	175.4	-69.2	167.2	0	0	0	110.2	L223 I227 V278 E282 R283 K288 N289 L290 L297	L223-I286 HydrophobicContact CD1-CD1 4.03Å; I227-I286 HydrophobicContact CG1-CG2 4.02Å; V278-I286 HydrophobicContact CG1-CD1 3.65Å; V278-I286 HydrophobicContact CG2-CD1 4.04Å; E282-I286 HydrophobicContact CG-CD1 4.03Å; E282-I286 HydrophobicContact CG-CG1 4.3Å; E282-I286 WeakPolarHBondContact O-CG1 3.32Å; E282-I286 PolarHBondContact O-N 3.16Å; R283-I286 PolarHBondContact O-N 3.2Å; I286-K288 PolarHBondContact O-N 3.3Å; I286-N289 PolarHBondContact O-N 3.03Å; I286-L290 WeakPolarHBondContact O-CB 3.27Å; I286-L290 PolarHBondContact O-N 3.47Å; I286-L297 HydrophobicContact CG2-CD2 4.2Å
287	Q	90.3	Very high	87.9	Confident	64 Å²	64	59.7 Å²	59.7	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-43.4	179.4	-67.3	179.9	-9.3	0	0	112.2	A226 A230 R283 I285 G291	A226-Q287 WeakPolarHBondContact O-CG 3.41Å; A226-Q287 PolarHBondContact O-NE2 3.03Å; A230-Q287 HydrophobicContact CB-CB 3.76Å; A230-Q287 HydrophobicContact CB-CG 3.41Å; A230-Q287 VanDerWaalsContact CB-CG 3.41Å; R283-Q287 WeakPolarHBondContact O-CG 3.49Å; R283-Q287 PolarHBondContact O-N 3.35Å; I285-Q287 VanDerWaalsContact C-N 3.33Å; I285-Q287 PolarHBondContact O-N 2.89Å; Q287-G291 PolarHBondContact O-N 3.49Å
288	K	91.7	Very high	89.2	Confident	173 Å²	173	56.7 Å²	56.7	75%	0.752	29%	0.294	S	S	*	.	H	α-helix	trans	-64.2	-41.7	175.9	-178.5	-173.6	174.2	-169.1	0	112.6	G284 I285 I286	G284-K288 WeakPolarHBondContact O-CB 3.44Å; G284-K288 PolarHBondContact O-N 2.91Å; G284-K288 VanDerWaalsContact O-N 3.14Å; I285-K288 PolarHBondContact O-N 3.42Å; I286-K288 PolarHBondContact O-N 3.3Å
289	N	92.9	Very high	90.1	Very high	51 Å²	51	56.4 Å²	56.4	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-75	-36.2	-176.9	-74.6	18.4	0	0	0	112.7	S269 Y270 I285 I286	S269-N289 WeakPolarHBondContact CB-O 3.47Å; S269-N289 PolarHBondContact OG-O 3.2Å; Y270-N289 WeakPolarHBondContact O-CB 3.15Å; Y270-N289 PolarHBondContact O-ND2 3.2Å; I285-N289 WeakPolarHBondContact O-CB 3.47Å; I285-N289 VanDerWaalsContact O-CG 3.29Å; I285-N289 PolarHBondContact O-N 2.99Å; I285-N289 PolarHBondContact O-OD1 2.79Å; I286-N289 PolarHBondContact O-N 3.03Å
290	L	91.8	Very high	90.7	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-68.8	-41.9	173.6	177.2	67.3	0	0	0	111.8	I227 R231 S269 I286 S294 L297 I307	I227-L290 HydrophobicContact CG1-CD2 4.31Å; I227-L290 HydrophobicContact CG2-CD2 3.81Å; R231-L290 HydrophobicContact CG-CD2 3.85Å; S269-L290 PolarHBondContact OG-O 2.76Å; I286-L290 WeakPolarHBondContact O-CB 3.27Å; I286-L290 PolarHBondContact O-N 3.47Å; L290-S294 WeakPolarHBondContact O-CB 3.47Å; L290-L297 HydrophobicContact CD1-CB 4.18Å; L290-I307 HydrophobicContact CD1-CD1 3.62Å; L290-I307 HydrophobicContact CD2-CD1 3.51Å; L290-I307 HydrophobicContact CG-CD1 4.17Å
291	G	88.9	Confident	91.1	Very high	22 Å²	22	50.2 Å²	50.2	23%	0.227	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	-171.9	179.9	0	0	0	0	0	114.6	R231 Q287 K293	R231-G291 PolarHBondContact NH1-O 2.57Å; Q287-G291 PolarHBondContact O-N 3.49Å; G291-K293 PolarHBondContact O-N 3.24Å
292	P	88.8	Confident	91.3	Very high	114 Å²	114	44.8 Å²	44.8	74%	0.74	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-5.2	-167.5	33.1	-36.8	0	0	0	114.8
293	K	87.9	Confident	91.7	Very high	157 Å²	157	44.1 Å²	44.1	68%	0.683	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.7	-33.7	-169.2	-73.4	-175.4	179.5	-178.9	0	115.6	G291 K295	G291-K293 PolarHBondContact O-N 3.24Å; K293-K295 PolarHBondContact O-N 3.38Å
294	S	92.9	Very high	92.1	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	21%	0.214	C	C	.	.			trans	-56.2	142.3	-178.4	-177.3	0	0	0	0	111.5	R231 E267 S269 L290 V296	R231-S294 PolarHBondContact NH1-O 3.38Å; R231-S294 PolarHBondContact NH2-O 3.39Å; E267-S294 WeakPolarHBondContact O-CB 3.31Å; E267-S294 PolarHBondContact O-OG 3.43Å; S269-S294 WeakPolarHBondContact OG-CB 2.89Å; L290-S294 WeakPolarHBondContact O-CB 3.47Å; S294-V296 PolarHBondContact OG-N 3.45Å; S294-V296 PolarHBondContact OG-O 3.29Å
295	K	94.9	Very high	92.6	Very high	25 Å²	25	39 Å²	39	11%	0.109	20%	0.195	C	C	.	.	S	Bend	trans	-109.4	-2.4	175.4	-61.1	-82.4	-177.1	163.3	0	111.6	K293 S306 I307 E309 E313 Y317	K293-K295 PolarHBondContact O-N 3.38Å; K295-S306 CarbonylContact O-C 3.55Å; K295-S306 WeakPolarHBondContact O-CA 3.43Å; K295-I307 WeakPolarHBondContact CD-O 3.47Å; K295-I307 PolarHBondContact O-N 3.14Å; K295-E309 IonicContact NZ-OE1 2.68Å; K295-E309 PolarHBondContact NZ-OE1 3.15Å; K295-E313 WeakPolarHBondContact CD-OE1 3.49Å; K295-E313 WeakPolarHBondContact CE-OE1 3.28Å; K295-E313 IonicContact NZ-OE1 3.4Å; K295-E313 PolarHBondContact NZ-OE1 3.39Å; K295-Y317 HydrophobicContact CB-CD1 4.29Å; K295-Y317 HydrophobicContact CB-CD2 3.79Å; K295-Y317 HydrophobicContact CB-CE1 4.07Å; K295-Y317 HydrophobicContact CB-CE2 3.54Å; K295-Y317 HydrophobicContact CB-CG 4.18Å; K295-Y317 HydrophobicContact CD-CE2 3.99Å; K295-Y317 HydrophobicContact CG-CD2 4.37Å; K295-Y317 HydrophobicContact CG-CE2 3.66Å
296	V	96.5	Very high	92.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	124.1	-174.4	172	0	0	0	0	110.4	L265 V268 S269 S294 V305 Y317 L321	L265-V296 HydrophobicContact CB-CG2 4.32Å; L265-V296 HydrophobicContact CD2-CG2 4.29Å; V268-V296 HydrophobicContact CG1-CG1 4.14Å; V268-V296 HydrophobicContact CG2-CB 4.36Å; V268-V296 HydrophobicContact CG2-CG1 4.11Å; S269-V296 PolarHBondContact N-O 3.39Å; S294-V296 PolarHBondContact OG-N 3.45Å; S294-V296 PolarHBondContact OG-O 3.29Å; V296-V305 WeakPolarHBondContact CA-O 3.46Å; V296-Y317 HydrophobicContact CG2-CD1 4Å; V296-Y317 HydrophobicContact CG2-CG 4.3Å; V296-L321 HydrophobicContact CG1-CD1 4.02Å; V296-L321 HydrophobicContact CG1-CD2 3.58Å; V296-L321 HydrophobicContact CG1-CG 4.35Å
297	L	96.6	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.7	176.3	174.9	65.8	0	0	0	109.5	S269 H271 I286 L290 L299 V305	S269-L297 WeakPolarHBondContact O-CA 3.41Å; H271-L297 HydrophobicContact CB-CD1 4.05Å; I286-L297 HydrophobicContact CG2-CD2 4.2Å; L290-L297 HydrophobicContact CD1-CB 4.18Å; L297-L299 HydrophobicContact CD2-CD2 3.81Å; L297-L299 HydrophobicContact CG-CD2 3.93Å; L297-V305 HydrophobicContact CB-CB 4.17Å; L297-V305 PolarHBondContact N-O 3.29Å; L297-V305 WeakPolarHBondContact O-CB 3.31Å; L297-V305 PolarHBondContact O-N 2.78Å
298	I	96.5	Very high	93.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	116.3	172.2	-64.2	179.5	0	0	0	108.5	L255 V268 S269 Y270 H271 R300 L304 L321	L255-I298 HydrophobicContact CB-CD1 3.84Å; V268-I298 HydrophobicContact CG1-CD1 3.7Å; V268-I298 HydrophobicContact CG1-CG1 3.96Å; S269-I298 PolarHBondContact O-N 3.26Å; Y270-I298 WeakPolarHBondContact CA-O 3.03Å; Y270-I298 HydrophobicContact CD1-CB 3.78Å; Y270-I298 HydrophobicContact CD1-CG2 3.99Å; Y270-I298 HydrophobicContact CE1-CB 3.79Å; Y270-I298 HydrophobicContact CE1-CD1 3.83Å; Y270-I298 HydrophobicContact CE1-CG1 4.32Å; Y270-I298 HydrophobicContact CE1-CG2 3.93Å; H271-I298 PolarHBondContact N-O 2.82Å; I298-R300 PolarHBondContact O-N 2.87Å; I298-L304 HydrophobicContact CG1-CD2 4.26Å; I298-L321 HydrophobicContact CD1-CD1 4.25Å; I298-L321 HydrophobicContact CG1-CD1 4.47Å
299	L	94.6	Very high	93.6	Very high	9 Å²	9	28.5 Å²	28.5	5%	0.047	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	108.8	173.3	-54.9	-178.4	0	0	0	107.8	L223 S249 H271 L297 N301 H302 G303 V305	L223-L299 HydrophobicContact CD1-CD1 4.45Å; L223-L299 HydrophobicContact CD2-CD1 3.8Å; S249-L299 VanDerWaalsContact CB-O 3.31Å; S249-L299 WeakPolarHBondContact CB-O 3.42Å; S249-L299 PolarHBondContact OG-O 3.31Å; H271-L299 HydrophobicContact CB-CD2 3.98Å; L297-L299 HydrophobicContact CD2-CD2 3.81Å; L297-L299 HydrophobicContact CG-CD2 3.93Å; L299-N301 PolarHBondContact O-N 3.06Å; L299-H302 HydrophobicContact CB-CB 3.88Å; L299-H302 PolarHBondContact O-N 3.12Å; L299-H302 VanDerWaalsContact O-N 3.14Å; L299-G303 PolarHBondContact N-O 3.41Å; L299-G303 PolarHBondContact O-N 3.42Å; L299-V305 HydrophobicContact CD1-CG2 3.84Å; L299-V305 HydrophobicContact CG-CG2 3.98Å
300	R	92.6	Very high	93.8	Very high	44 Å²	44	29.2 Å²	29.2	17%	0.166	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	136.7	-178.3	-67.6	-61.5	-163.8	166.3	4.1	110.7	S249 M251 K252 H271 D272 I298 H302	S249-R300 WeakPolarHBondContact O-CD 3.37Å; S249-R300 PolarHBondContact O-NH1 2.9Å; M251-R300 PolarHBondContact O-NH1 2.88Å; K252-R300 PolarHBondContact O-NH2 3.43Å; K252-R300 VanDerWaalsContact O-NH2 3.1Å; H271-R300 WeakPolarHBondContact O-CB 3.42Å; H271-R300 VanDerWaalsContact O-CG 3.28Å; H271-R300 WeakPolarHBondContact O-CG 3.22Å; H271-R300 PolarHBondContact O-N 3.33Å; D272-R300 WeakPolarHBondContact OD1-CG 3.48Å; I298-R300 PolarHBondContact O-N 2.87Å; R300-H302 PolarHBondContact O-N 3.48Å
301	N	89.3	Confident	94.1	Very high	37 Å²	37	29.5 Å²	29.5	20%	0.198	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	16.1	177.8	-58.9	75.1	0	0	0	114.8	S249 L299 F344	S249-N301 PolarHBondContact OG-N 3.31Å; S249-N301 VanDerWaalsContact OG-N 3.12Å; L299-N301 PolarHBondContact O-N 3.06Å; N301-F344 PolarHBondContact ND2-O 3.31Å
302	H	89.8	Confident	94.5	Very high	48 Å²	48	33 Å²	33	22%	0.222	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-71.4	-171.5	-172.8	-172	0	0	0	110.9	H239 H241 S249 Y273 L299 R300	H239-H302 AromaticContact NE2-CE1 3.96Å; H239-H302 AromaticContact NE2-NE2 3.96Å; H241-H302 PolarHBondContact CD2-O 3.25Å; H241-H302 AromaticContact CE1-CD2 3.76Å; H241-H302 AromaticContact CE1-NE2 3.68Å; H241-H302 AromaticContact NE2-CD2 3.18Å; H241-H302 PolarHBondContact NE2-CD2 3.48Å; H241-H302 AromaticContact NE2-NE2 3.42Å; H241-H302 PolarHBondContact NE2-NE2 3.46Å; S249-H302 PolarHBondContact OG-N 2.94Å; Y273-H302 HydrophobicContact CD2-CB 3.9Å; Y273-H302 HydrophobicContact CE2-CB 3.94Å; L299-H302 HydrophobicContact CB-CB 3.88Å; L299-H302 PolarHBondContact O-N 3.12Å; L299-H302 VanDerWaalsContact O-N 3.14Å; R300-H302 PolarHBondContact O-N 3.48Å
303	G	92.2	Very high	94.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-175.9	-165.5	0	0	0	0	0	117	L299	L299-G303 PolarHBondContact N-O 3.41Å; L299-G303 PolarHBondContact O-N 3.42Å
304	L	96.8	Very high	95.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.4	-179.3	-57.9	177.8	0	0	0	109.9	H239 I240 I298 I318 L321 V322	H239-L304 WeakPolarHBondContact CA-O 3.34Å; H239-L304 PolarHBondContact ND1-O 2.8Å; H239-L304 VanDerWaalsContact ND1-O 3.07Å; I240-L304 HydrophobicContact CG1-CB 4.33Å; I240-L304 PolarHBondContact N-O 3.48Å; I240-L304 PolarHBondContact O-N 3.09Å; I240-L304 VanDerWaalsContact O-N 3.08Å; I298-L304 HydrophobicContact CG1-CD2 4.26Å; L304-I318 HydrophobicContact CB-CD1 4.24Å; L304-L321 HydrophobicContact CB-CD2 3.85Å; L304-L321 HydrophobicContact CD1-CD2 4.26Å; L304-L321 HydrophobicContact CD1-CG 4.04Å; L304-L321 HydrophobicContact CD2-CD1 4.19Å; L304-L321 HydrophobicContact CD2-CD2 3.95Å; L304-L321 HydrophobicContact CD2-CG 3.99Å; L304-L321 HydrophobicContact CG-CD2 4.23Å; L304-L321 HydrophobicContact CG-CG 4.4Å; L304-V322 HydrophobicContact CD1-CG2 3.83Å
305	V	97.3	Very high	95.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.5	172.2	-179.3	0	0	0	0	110.3	L223 I227 I237 V238 H239 V296 L297 L299	L223-V305 HydrophobicContact CD2-CG2 4.12Å; I227-V305 HydrophobicContact CD1-CG1 3.99Å; I237-V305 HydrophobicContact CG2-CG1 4Å; V238-V305 CarbonylContact O-C 3.56Å; V238-V305 WeakPolarHBondContact O-CA 3.26Å; H239-V305 HydrophobicContact CB-CG2 4.16Å; V296-V305 WeakPolarHBondContact CA-O 3.46Å; L297-V305 HydrophobicContact CB-CB 4.17Å; L297-V305 PolarHBondContact N-O 3.29Å; L297-V305 WeakPolarHBondContact O-CB 3.31Å; L297-V305 PolarHBondContact O-N 2.78Å; L299-V305 HydrophobicContact CD1-CG2 3.84Å; L299-V305 HydrophobicContact CG-CG2 3.98Å
306	S	97.7	Very high	95.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	158.4	167.9	80.2	0	0	0	0	112.3	I237 V238 K295 A314	I237-S306 WeakPolarHBondContact CA-O 3.27Å; V238-S306 PolarHBondContact N-O 3.3Å; V238-S306 PolarHBondContact O-N 3.32Å; K295-S306 CarbonylContact O-C 3.55Å; K295-S306 WeakPolarHBondContact O-CA 3.43Å; S306-A314 PolarHBondContact OG-O 2.94Å
307	I	97.6	Very high	95.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.6	-176.3	-55.4	176.4	0	0	0	109.4	I227 A234 C236 L290 K295	I227-I307 HydrophobicContact CG2-CD1 3.52Å; I227-I307 HydrophobicContact CG2-CG1 4.25Å; A234-I307 HydrophobicContact CB-CG2 3.45Å; A234-I307 VanDerWaalsContact CB-CG2 3.45Å; C236-I307 WeakPolarHBondContact O-CA 3.3Å; L290-I307 HydrophobicContact CD1-CD1 3.62Å; L290-I307 HydrophobicContact CD2-CD1 3.51Å; L290-I307 HydrophobicContact CG-CD1 4.17Å; K295-I307 WeakPolarHBondContact CD-O 3.47Å; K295-I307 PolarHBondContact O-N 3.14Å
308	G	95.9	Very high	95.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.7	173.9	0	0	0	0	0	113.4	K235 C236	K235-G308 PolarHBondContact N-O 3.27Å; C236-G308 PolarHBondContact N-O 3.34Å; C236-G308 PolarHBondContact O-N 2.82Å
309	E	95.1	Very high	95.8	Very high	88 Å²	88	33.4 Å²	33.4	41%	0.411	15%	0.154	S	C	.	.	S	Bend	trans	-75	-11.5	165.3	-65	165.1	-127.1	0	0	111.3	D233 K235 K295 E313	D233-E309 HydrophobicContact CB-CG 4.44Å; D233-E309 WeakPolarHBondContact O-CG 3.44Å; K235-E309 VanDerWaalsContact CD-O 3.24Å; K235-E309 WeakPolarHBondContact CD-O 3.36Å; K235-E309 WeakPolarHBondContact CG-O 3.42Å; K235-E309 PolarHBondContact NZ-O 2.94Å; K295-E309 IonicContact NZ-OE1 2.68Å; K295-E309 PolarHBondContact NZ-OE1 3.15Å; E309-E313 WeakPolarHBondContact CA-OE2 3.42Å; E309-E313 WeakPolarHBondContact CB-OE2 3.45Å; E309-E313 PolarHBondContact N-OE2 3.17Å
310	T	96.3	Very high	95.9	Very high	66 Å²	66	34 Å²	34	41%	0.405	16%	0.157	S	C	.	.	S	Bend	trans	-133.7	167.8	169.4	63.2	0	0	0	0	111.2	C236 E313 A314	C236-T310 WeakPolarHBondContact CB-O 3.26Å; T310-E313 PolarHBondContact N-OE2 3.5Å; T310-E313 WeakPolarHBondContact OG1-CB 3.43Å; T310-E313 PolarHBondContact OG1-N 2.95Å; T310-E313 VanDerWaalsContact OG1-N 3.13Å; T310-A314 PolarHBondContact O-N 3.09Å
311	V	97.6	Very high	96.1	Very high	8 Å²	8	31.9 Å²	31.9	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-69.5	-39.9	175.6	-174.8	0	0	0	0	110.2	L145 K148 F152 V171 C236 E313 A314 F315	L145-V311 HydrophobicContact CD2-CG2 4.39Å; K148-V311 HydrophobicContact CB-CB 4.32Å; K148-V311 HydrophobicContact CB-CG1 4.24Å; K148-V311 HydrophobicContact CB-CG2 4.14Å; K148-V311 HydrophobicContact CD-CB 4.4Å; K148-V311 HydrophobicContact CD-CG2 4.29Å; F152-V311 HydrophobicContact CB-CG1 4.42Å; F152-V311 HydrophobicContact CD1-CG1 3.66Å; F152-V311 HydrophobicContact CE1-CG1 4.44Å; V171-V311 HydrophobicContact CB-CG2 4.42Å; V171-V311 HydrophobicContact CG2-CG2 3.8Å; C236-V311 HydrophobicContact CB-CG2 4.39Å; V311-E313 PolarHBondContact O-N 3.44Å; V311-A314 PolarHBondContact O-N 3.16Å; V311-F315 PolarHBondContact O-N 3.11Å
312	E	97.1	Very high	96.5	Very high	96 Å²	96	30.1 Å²	30.1	45%	0.449	14%	0.14	S	C	.	.	H	α-helix	trans	-64.2	-37.4	179.4	-66.2	88.5	160.7	0	0	113.2	K148 F315 Y316	K148-E312 WeakPolarHBondContact CE-OE1 3.32Å; K148-E312 VanDerWaalsContact NZ-CD 3.26Å; K148-E312 IonicContact NZ-OE1 2.64Å; K148-E312 PolarHBondContact NZ-OE1 3.21Å; K148-E312 IonicContact NZ-OE2 3.72Å; K148-E312 PolarHBondContact NZ-OE2 3.2Å; K148-E312 VanDerWaalsContact NZ-OE2 3.09Å; E312-F315 PolarHBondContact O-N 2.75Å; E312-Y316 PolarHBondContact O-N 2.81Å
313	E	97.1	Very high	96.7	Very high	40 Å²	40	29.6 Å²	29.6	19%	0.187	14%	0.14	C	C	.	.	H	α-helix	trans	-69.5	-42.8	175.5	-178.9	-168.9	166.7	0	0	112.2	K295 E309 T310 V311 F315 Y316 Y317	K295-E313 WeakPolarHBondContact CD-OE1 3.49Å; K295-E313 WeakPolarHBondContact CE-OE1 3.28Å; K295-E313 IonicContact NZ-OE1 3.4Å; K295-E313 PolarHBondContact NZ-OE1 3.39Å; E309-E313 WeakPolarHBondContact CA-OE2 3.42Å; E309-E313 WeakPolarHBondContact CB-OE2 3.45Å; E309-E313 PolarHBondContact N-OE2 3.17Å; T310-E313 PolarHBondContact N-OE2 3.5Å; T310-E313 WeakPolarHBondContact OG1-CB 3.43Å; T310-E313 PolarHBondContact OG1-N 2.95Å; T310-E313 VanDerWaalsContact OG1-N 3.13Å; V311-E313 PolarHBondContact O-N 3.44Å; E313-F315 VanDerWaalsContact C-N 3.28Å; E313-F315 PolarHBondContact O-N 2.94Å; E313-Y316 WeakPolarHBondContact O-CB 3.45Å; E313-Y316 PolarHBondContact O-N 2.75Å; E313-Y317 HydrophobicContact CG-CD2 3.91Å; E313-Y317 HydrophobicContact CG-CE2 3.71Å; E313-Y317 VanDerWaalsContact O-CD2 3.3Å; E313-Y317 WeakPolarHBondContact O-CD2 3.49Å; E313-Y317 PolarHBondContact O-N 3.06Å
314	A	97.9	Very high	96.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-36.5	175	0	0	0	0	0	111.5	F152 C236 V238 S306 T310 V311 I318	F152-A314 HydrophobicContact CE1-CB 4.43Å; C236-A314 HydrophobicContact CB-CB 3.74Å; V238-A314 HydrophobicContact CG2-CB 3.88Å; S306-A314 PolarHBondContact OG-O 2.94Å; T310-A314 PolarHBondContact O-N 3.09Å; V311-A314 PolarHBondContact O-N 3.16Å; A314-I318 PolarHBondContact O-N 3.36Å
315	F	97.4	Very high	96.8	Very high	50 Å²	50	29.7 Å²	29.7	22%	0.219	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-48.7	170.2	178.3	-88.2	0	0	0	112	F152 L155 F159 W161 V311 E312 E313 Y317 I318 H319	F152-F315 HydrophobicContact CD1-CB 4.36Å; F152-F315 AromaticContact CD2-CD2 3.84Å; F152-F315 HydrophobicContact CD2-CD2 3.84Å; F152-F315 HydrophobicContact CE1-CB 3.78Å; F152-F315 HydrophobicContact CE1-CD2 4.49Å; F152-F315 HydrophobicContact CE2-CB 4.3Å; F152-F315 AromaticContact CE2-CD2 3.55Å; F152-F315 HydrophobicContact CE2-CD2 3.55Å; F152-F315 HydrophobicContact CE2-CE2 4.38Å; F152-F315 HydrophobicContact CE2-CG 4.4Å; F152-F315 HydrophobicContact CG-CD2 4.48Å; F152-F315 VanDerWaalsContact CZ-CA 3.49Å; F152-F315 HydrophobicContact CZ-CB 3.76Å; F152-F315 AromaticContact CZ-CD2 3.89Å; F152-F315 HydrophobicContact CZ-CD2 3.89Å; F152-F315 HydrophobicContact CZ-CG 4.32Å; L155-F315 HydrophobicContact CB-CE2 4.25Å; L155-F315 HydrophobicContact CD1-CE2 4.19Å; F159-F315 HydrophobicContact CD2-CE2 4.27Å; F159-F315 HydrophobicContact CD2-CZ 4.42Å; F159-F315 AromaticContact CE2-CE2 3.75Å; F159-F315 HydrophobicContact CE2-CE2 3.75Å; F159-F315 AromaticContact CE2-CZ 3.59Å; F159-F315 HydrophobicContact CE2-CZ 3.59Å; F159-F315 HydrophobicContact CZ-CZ 4.18Å; W161-F315 HydrophobicContact CH2-CE2 4.07Å; W161-F315 HydrophobicContact CH2-CZ 4.38Å; W161-F315 HydrophobicContact CZ3-CE2 4.04Å; V311-F315 PolarHBondContact O-N 3.11Å; E312-F315 PolarHBondContact O-N 2.75Å; E313-F315 VanDerWaalsContact C-N 3.28Å; E313-F315 PolarHBondContact O-N 2.94Å; F315-Y317 PolarHBondContact O-N 2.96Å; F315-I318 PolarHBondContact O-N 3.05Å; F315-H319 HydrophobicContact CE1-CB 4.2Å; F315-H319 HydrophobicContact CZ-CB 4.35Å; F315-H319 AromaticContact CZ-CD2 4Å; F315-H319 WeakPolarHBondContact O-CB 3.43Å; F315-H319 PolarHBondContact O-N 3.25Å
316	Y	96.6	Very high	96.6	Very high	115 Å²	115	33.8 Å²	33.8	45%	0.451	16%	0.16	S	C	.	.	H	α-helix	trans	-56	-48.5	177.3	173.4	-95.3	0	0	0	112	E312 E313 N320	E312-Y316 PolarHBondContact O-N 2.81Å; E313-Y316 WeakPolarHBondContact O-CB 3.45Å; E313-Y316 PolarHBondContact O-N 2.75Å; Y316-N320 WeakPolarHBondContact CE2-ND2 3.27Å; Y316-N320 VanDerWaalsContact CZ-ND2 3.29Å; Y316-N320 PolarHBondContact O-N 3.34Å; Y316-N320 VanDerWaalsContact O-N 3.11Å
317	Y	97.9	Very high	96.2	Very high	43 Å²	43	36 Å²	36	17%	0.169	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-42.3	178.8	-78.2	-62	0	0	0	112.9	L265 K295 V296 E313 F315 L321	L265-Y317 HydrophobicContact CD2-CD1 4.01Å; K295-Y317 HydrophobicContact CB-CD1 4.29Å; K295-Y317 HydrophobicContact CB-CD2 3.79Å; K295-Y317 HydrophobicContact CB-CE1 4.07Å; K295-Y317 HydrophobicContact CB-CE2 3.54Å; K295-Y317 HydrophobicContact CB-CG 4.18Å; K295-Y317 HydrophobicContact CD-CE2 3.99Å; K295-Y317 HydrophobicContact CG-CD2 4.37Å; K295-Y317 HydrophobicContact CG-CE2 3.66Å; V296-Y317 HydrophobicContact CG2-CD1 4Å; V296-Y317 HydrophobicContact CG2-CG 4.3Å; E313-Y317 HydrophobicContact CG-CD2 3.91Å; E313-Y317 HydrophobicContact CG-CE2 3.71Å; E313-Y317 VanDerWaalsContact O-CD2 3.3Å; E313-Y317 WeakPolarHBondContact O-CD2 3.49Å; E313-Y317 PolarHBondContact O-N 3.06Å; F315-Y317 PolarHBondContact O-N 2.96Å; Y317-L321 WeakPolarHBondContact O-CB 3.08Å; Y317-L321 PolarHBondContact O-N 3.5Å
318	I	98	Very high	95.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.1	-39.1	179.7	-148.9	76.6	0	0	0	111.8	F152 W161 V238 I240 L304 A314 F315 L321 V322	F152-I318 HydrophobicContact CE2-CG2 4.12Å; F152-I318 HydrophobicContact CZ-CG2 3.84Å; W161-I318 HydrophobicContact CE3-CG2 4.36Å; W161-I318 HydrophobicContact CH2-CG2 4.24Å; W161-I318 HydrophobicContact CZ3-CG2 3.7Å; V238-I318 HydrophobicContact CB-CD1 4.39Å; V238-I318 HydrophobicContact CG1-CB 4.08Å; V238-I318 HydrophobicContact CG1-CD1 3.99Å; V238-I318 HydrophobicContact CG1-CG1 3.76Å; V238-I318 HydrophobicContact CG1-CG2 4.13Å; I240-I318 HydrophobicContact CD1-CD1 4.23Å; I240-I318 HydrophobicContact CD1-CG1 3.49Å; I240-I318 VanDerWaalsContact CD1-CG1 3.49Å; I240-I318 HydrophobicContact CG1-CD1 4.04Å; I240-I318 HydrophobicContact CG1-CG1 3.84Å; L304-I318 HydrophobicContact CB-CD1 4.24Å; A314-I318 PolarHBondContact O-N 3.36Å; F315-I318 PolarHBondContact O-N 3.05Å; I318-L321 HydrophobicContact CD1-CD2 4.23Å; I318-L321 PolarHBondContact O-N 3.39Å; I318-V322 WeakPolarHBondContact O-CG2 3.32Å; I318-V322 PolarHBondContact O-N 3.34Å
319	H	97.2	Very high	95.3	Very high	57 Å²	57	39.1 Å²	39.1	26%	0.264	18%	0.183	S	C	.	.	H	α-helix	trans	-59.3	-54.8	178.1	178.5	-78.5	0	0	0	110.4	W161 F315 L321 V322 T323	W161-H319 HydrophobicContact CH2-CB 3.89Å; W161-H319 AromaticContact CH2-CD2 3.89Å; W161-H319 HydrophobicContact CZ2-CB 4.47Å; F315-H319 HydrophobicContact CE1-CB 4.2Å; F315-H319 HydrophobicContact CZ-CB 4.35Å; F315-H319 AromaticContact CZ-CD2 4Å; F315-H319 WeakPolarHBondContact O-CB 3.43Å; F315-H319 PolarHBondContact O-N 3.25Å; H319-L321 VanDerWaalsContact C-N 3.27Å; H319-L321 PolarHBondContact O-N 3.41Å; H319-V322 PolarHBondContact O-N 3.41Å; H319-T323 PolarHBondContact O-N 3.25Å; H319-T323 PolarHBondContact O-OG1 2.87Å
320	N	96.3	Very high	94.5	Very high	22 Å²	22	39.2 Å²	39.2	12%	0.118	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-31.1	-179.4	-68.9	2	0	0	0	112.2	E261 S264 L265 Y316 A324	E261-N320 HydrophobicContact CB-CB 4.26Å; S264-N320 PolarHBondContact OG-ND2 2.89Å; L265-N320 HydrophobicContact CD2-CB 3.79Å; Y316-N320 WeakPolarHBondContact CE2-ND2 3.27Å; Y316-N320 VanDerWaalsContact CZ-ND2 3.29Å; Y316-N320 PolarHBondContact O-N 3.34Å; Y316-N320 VanDerWaalsContact O-N 3.11Å; N320-A324 WeakPolarHBondContact O-CB 3.44Å; N320-A324 PolarHBondContact O-N 3.2Å
321	L	97.7	Very high	93	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.2	-44.6	174.4	176.6	61.6	0	0	0	112.3	L255 L265 V296 I298 L304 Y317 I318 H319 A324 C325	L255-L321 HydrophobicContact CD2-CD1 3.95Å; L265-L321 HydrophobicContact CD1-CB 3.98Å; L265-L321 HydrophobicContact CD1-CD1 3.75Å; L265-L321 HydrophobicContact CD1-CG 4.45Å; L265-L321 HydrophobicContact CD2-CB 4.26Å; V296-L321 HydrophobicContact CG1-CD1 4.02Å; V296-L321 HydrophobicContact CG1-CD2 3.58Å; V296-L321 HydrophobicContact CG1-CG 4.35Å; I298-L321 HydrophobicContact CD1-CD1 4.25Å; I298-L321 HydrophobicContact CG1-CD1 4.47Å; L304-L321 HydrophobicContact CB-CD2 3.85Å; L304-L321 HydrophobicContact CD1-CD2 4.26Å; L304-L321 HydrophobicContact CD1-CG 4.04Å; L304-L321 HydrophobicContact CD2-CD1 4.19Å; L304-L321 HydrophobicContact CD2-CD2 3.95Å; L304-L321 HydrophobicContact CD2-CG 3.99Å; L304-L321 HydrophobicContact CG-CD2 4.23Å; L304-L321 HydrophobicContact CG-CG 4.4Å; Y317-L321 WeakPolarHBondContact O-CB 3.08Å; Y317-L321 PolarHBondContact O-N 3.5Å; I318-L321 HydrophobicContact CD1-CD2 4.23Å; I318-L321 PolarHBondContact O-N 3.39Å; H319-L321 VanDerWaalsContact C-N 3.27Å; H319-L321 PolarHBondContact O-N 3.41Å; L321-A324 PolarHBondContact O-N 3.38Å; L321-C325 WeakPolarHBondContact O-CB 3.34Å; L321-C325 PolarHBondContact O-N 3.04Å; L321-C325 PolarHBondContact O-SG 3.42Å
322	V	97	Very high	91.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-50.2	174.4	174.5	0	0	0	0	110.2	I240 T242 L304 I318 H319 A324 C325 E326	I240-V322 HydrophobicContact CD1-CG2 3.61Å; T242-V322 HydrophobicContact CG2-CG1 4.26Å; T242-V322 HydrophobicContact CG2-CG2 4Å; L304-V322 HydrophobicContact CD1-CG2 3.83Å; I318-V322 WeakPolarHBondContact O-CG2 3.32Å; I318-V322 PolarHBondContact O-N 3.34Å; H319-V322 PolarHBondContact O-N 3.41Å; V322-A324 VanDerWaalsContact C-N 3.32Å; V322-A324 PolarHBondContact O-N 2.94Å; V322-C325 CarbonylContact O-C 3.52Å; V322-C325 WeakPolarHBondContact O-CB 3.38Å; V322-C325 PolarHBondContact O-N 3.33Å; V322-C325 VanDerWaalsContact O-N 3.11Å; V322-E326 HydrophobicContact CG1-CG 4.23Å; V322-E326 WeakPolarHBondContact O-CG 3.31Å; V322-E326 PolarHBondContact O-N 2.96Å
323	T	95	Very high	89.2	Confident	36 Å²	36	41.3 Å²	41.3	22%	0.221	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-38.7	178.9	-55.4	0	0	0	0	112.2	E261 H319 E326 I327	E261-T323 HydrophobicContact CG-CG2 4.01Å; H319-T323 PolarHBondContact O-N 3.25Å; H319-T323 PolarHBondContact O-OG1 2.87Å; T323-E326 PolarHBondContact O-N 2.79Å; T323-I327 HydrophobicContact CG2-CD1 3.86Å; T323-I327 HydrophobicContact CG2-CG1 4.42Å; T323-I327 WeakPolarHBondContact O-CB 3.35Å; T323-I327 VanDerWaalsContact O-CG1 3.24Å; T323-I327 WeakPolarHBondContact O-CG1 3.25Å; T323-I327 PolarHBondContact O-N 3.45Å
324	A	94.3	Very high	87.2	Confident	2 Å²	2	43.4 Å²	43.4	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-42.3	174	0	0	0	0	0	112.1	L255 E261 A262 N320 L321 V322 Q328	L255-A324 HydrophobicContact CD1-CB 3.94Å; L255-A324 HydrophobicContact CD2-CB 4.3Å; E261-A324 HydrophobicContact CB-CB 4.16Å; A262-A324 HydrophobicContact CB-CB 3.87Å; N320-A324 WeakPolarHBondContact O-CB 3.44Å; N320-A324 PolarHBondContact O-N 3.2Å; L321-A324 PolarHBondContact O-N 3.38Å; V322-A324 VanDerWaalsContact C-N 3.32Å; V322-A324 PolarHBondContact O-N 2.94Å; A324-Q328 WeakPolarHBondContact O-CB 3.46Å; A324-Q328 PolarHBondContact O-N 2.94Å
325	C	95.3	Very high	85	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-40.2	173.3	-71.3	0	0	0	0	112.3	A244 V248 L321 V322 Q328 W329	A244-C325 HydrophobicContact CB-CB 4.18Å; V248-C325 HydrophobicContact CB-CB 4.31Å; V248-C325 HydrophobicContact CG2-CB 4.05Å; L321-C325 WeakPolarHBondContact O-CB 3.34Å; L321-C325 PolarHBondContact O-N 3.04Å; L321-C325 PolarHBondContact O-SG 3.42Å; V322-C325 CarbonylContact O-C 3.52Å; V322-C325 WeakPolarHBondContact O-CB 3.38Å; V322-C325 PolarHBondContact O-N 3.33Å; V322-C325 VanDerWaalsContact O-N 3.11Å; C325-Q328 PolarHBondContact O-N 3.37Å; C325-W329 WeakPolarHBondContact O-CB 3.43Å; C325-W329 PolarHBondContact O-N 3.09Å
326	E	93.5	Very high	82.9	Confident	87 Å²	87	48.9 Å²	48.9	41%	0.407	24%	0.24	S	C	.	.	H	α-helix	trans	-67.1	-43.3	177.2	-72.1	172.5	157.4	0	0	112.3	A244 V322 T323 Q328 W329 T330	A244-E326 HydrophobicContact CB-CB 4.36Å; A244-E326 HydrophobicContact CB-CG 3.7Å; V322-E326 HydrophobicContact CG1-CG 4.23Å; V322-E326 WeakPolarHBondContact O-CG 3.31Å; V322-E326 PolarHBondContact O-N 2.96Å; T323-E326 PolarHBondContact O-N 2.79Å; E326-Q328 VanDerWaalsContact C-N 3.33Å; E326-W329 PolarHBondContact O-N 2.85Å; E326-T330 WeakPolarHBondContact O-CB 3.4Å; E326-T330 PolarHBondContact O-N 2.96Å; E326-T330 PolarHBondContact O-OG1 3.31Å
327	I	88.5	Confident	80.6	Confident	45 Å²	45	52.3 Å²	52.3	23%	0.231	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-42.3	173.6	-70.5	166.1	0	0	0	110.3	E261 T323 K331	E261-I327 HydrophobicContact CG-CD1 4.45Å; E261-I327 VanDerWaalsContact OE2-CD1 3.23Å; E261-I327 WeakPolarHBondContact OE2-CD1 3.09Å; T323-I327 HydrophobicContact CG2-CD1 3.86Å; T323-I327 HydrophobicContact CG2-CG1 4.42Å; T323-I327 WeakPolarHBondContact O-CB 3.35Å; T323-I327 VanDerWaalsContact O-CG1 3.24Å; T323-I327 WeakPolarHBondContact O-CG1 3.25Å; T323-I327 PolarHBondContact O-N 3.45Å; I327-K331 HydrophobicContact CG2-CD 3.94Å; I327-K331 WeakPolarHBondContact O-CB 3.45Å; I327-K331 VanDerWaalsContact O-CG 3.26Å; I327-K331 WeakPolarHBondContact O-CG 3.39Å; I327-K331 PolarHBondContact O-N 3.01Å; I327-K331 VanDerWaalsContact O-N 3.07Å
328	Q	90.3	Very high	77.9	Confident	3 Å²	3	54.4 Å²	54.4	1%	0.014	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-47.7	175.6	178.1	166.5	-37.6	0	0	111.6	V248 M251 G254 I258 A324 C325 E326 T330 K331 E332	V248-Q328 HydrophobicContact CG2-CB 4.24Å; V248-Q328 HydrophobicContact CG2-CG 4.1Å; M251-Q328 HydrophobicContact SD-CG 4.47Å; M251-Q328 PolarHBondContact SD-NE2 2.84Å; G254-Q328 PolarHBondContact O-NE2 3.24Å; I258-Q328 HydrophobicContact CD1-CB 4.05Å; I258-Q328 HydrophobicContact CD1-CG 4.09Å; A324-Q328 WeakPolarHBondContact O-CB 3.46Å; A324-Q328 PolarHBondContact O-N 2.94Å; C325-Q328 PolarHBondContact O-N 3.37Å; E326-Q328 VanDerWaalsContact C-N 3.33Å; Q328-T330 PolarHBondContact O-N 3.43Å; Q328-K331 PolarHBondContact O-N 2.88Å; Q328-E332 WeakPolarHBondContact O-CB 3.23Å; Q328-E332 PolarHBondContact O-N 3.45Å
329	W	84.7	Confident	75.4	Confident	64 Å²	64	57.4 Å²	57.4	24%	0.242	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-46.4	178.9	-179	-96.8	0	0	0	111.6	A244 A247 C325 E326 K331 E332 E333	A244-W329 HydrophobicContact CB-CB 4.14Å; A247-W329 HydrophobicContact CB-CD2 4.19Å; A247-W329 HydrophobicContact CB-CE3 3.46Å; A247-W329 VanDerWaalsContact CB-CE3 3.46Å; A247-W329 HydrophobicContact CB-CH2 4.34Å; A247-W329 HydrophobicContact CB-CZ3 3.55Å; C325-W329 WeakPolarHBondContact O-CB 3.43Å; C325-W329 PolarHBondContact O-N 3.09Å; E326-W329 PolarHBondContact O-N 2.85Å; W329-K331 PolarHBondContact O-N 3.12Å; W329-E332 CarbonylContact O-C 3.55Å; W329-E332 PolarHBondContact O-N 3.47Å; W329-E332 VanDerWaalsContact O-N 3.12Å; W329-E333 PolarHBondContact NE1-OE2 3.31Å; W329-E333 WeakPolarHBondContact O-CB 3.45Å; W329-E333 PolarHBondContact O-N 3.39Å
330	T	78.9	Confident	73.1	Confident	89 Å²	89	58.8 Å²	58.8	55%	0.546	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-37.2	-179.8	-51.7	0	0	0	0	112.3	E326 Q328 S334	E326-T330 WeakPolarHBondContact O-CB 3.4Å; E326-T330 PolarHBondContact O-N 2.96Å; E326-T330 PolarHBondContact O-OG1 3.31Å; Q328-T330 PolarHBondContact O-N 3.43Å; T330-S334 PolarHBondContact O-N 3.37Å; T330-S334 PolarHBondContact O-OG 3.42Å
331	K	64.1	Low	70.5	Confident	93 Å²	93	61.8 Å²	61.8	40%	0.404	36%	0.357	S	S	.	.	H	α-helix	trans	-68.1	-38.8	171.5	-75.4	172.4	178.9	171.7	0	111.6	I258 I327 Q328 W329 S334 L335	I258-K331 HydrophobicContact CD1-CD 4.01Å; I258-K331 PolarHBondContact O-NZ 3.24Å; I327-K331 HydrophobicContact CG2-CD 3.94Å; I327-K331 WeakPolarHBondContact O-CB 3.45Å; I327-K331 VanDerWaalsContact O-CG 3.26Å; I327-K331 WeakPolarHBondContact O-CG 3.39Å; I327-K331 PolarHBondContact O-N 3.01Å; I327-K331 VanDerWaalsContact O-N 3.07Å; Q328-K331 PolarHBondContact O-N 2.88Å; W329-K331 PolarHBondContact O-N 3.12Å; K331-S334 WeakPolarHBondContact O-CB 3.31Å; K331-S334 PolarHBondContact O-N 3.37Å; K331-L335 WeakPolarHBondContact O-CD1 3.46Å; K331-L335 WeakPolarHBondContact O-CG 3.45Å; K331-L335 PolarHBondContact O-N 3.47Å
332	E	59	Low	68.1	Low	16 Å²	16	66.5 Å²	66.5	8%	0.075	38%	0.382	C	S	.	.	H	α-helix	trans	-69.5	-47.1	177.9	-149.9	-144.9	172.2	0	0	110.9	M251 Q328 W329 S334 L335 R336	M251-E332 HydrophobicContact CE-CG 3.9Å; M251-E332 WeakPolarHBondContact CE-OE1 3.34Å; M251-E332 WeakPolarHBondContact CE-OE2 3.31Å; Q328-E332 WeakPolarHBondContact O-CB 3.23Å; Q328-E332 PolarHBondContact O-N 3.45Å; W329-E332 CarbonylContact O-C 3.55Å; W329-E332 PolarHBondContact O-N 3.47Å; W329-E332 VanDerWaalsContact O-N 3.12Å; E332-S334 PolarHBondContact O-N 3.2Å; E332-S334 VanDerWaalsContact O-N 3.17Å; E332-L335 CarbonylContact O-C 3.52Å; E332-L335 VanDerWaalsContact O-C 3.29Å; E332-L335 VanDerWaalsContact O-CA 3.29Å; E332-L335 WeakPolarHBondContact O-CA 3.48Å; E332-L335 WeakPolarHBondContact O-CB 3.43Å; E332-L335 PolarHBondContact O-N 2.99Å; E332-R336 VanDerWaalsContact CD-NH1 3.26Å; E332-R336 HydrophobicContact CG-CG 3.97Å; E332-R336 WeakPolarHBondContact O-CB 3.08Å; E332-R336 WeakPolarHBondContact O-CG 3.29Å; E332-R336 PolarHBondContact O-N 2.6Å; E332-R336 IonicContact OE1-CZ 3.21Å; E332-R336 IonicContact OE1-NE 3.84Å; E332-R336 IonicContact OE1-NH1 3.92Å; E332-R336 PolarHBondContact OE1-NH1 2.89Å; E332-R336 IonicContact OE2-CZ 2.74Å; E332-R336 IonicContact OE2-NE 2.88Å; E332-R336 IonicContact OE2-NH1 3.83Å; E332-R336 PolarHBondContact OE2-NH1 3.34Å
333	E	56.3	Low	66	Low	105 Å²	105	70.6 Å²	70.6	49%	0.491	40%	0.401	S	S	.	.	H	α-helix	trans	-46.6	-46.7	171.9	-166.9	85.7	-112.1	0	0	111.1	W329 L335 R336	W329-E333 PolarHBondContact NE1-OE2 3.31Å; W329-E333 WeakPolarHBondContact O-CB 3.45Å; W329-E333 PolarHBondContact O-N 3.39Å; E333-L335 VanDerWaalsContact C-N 3.34Å; E333-L335 PolarHBondContact O-N 3.21Å; E333-R336 PolarHBondContact O-N 2.74Å
334	S	54.8	Low	63.6	Low	85 Å²	85	76.6 Å²	76.6	59%	0.594	43%	0.425	S	S	*	.	H	α-helix	trans	-64.7	-32.5	175.3	-54.2	0	0	0	0	113.6	T330 K331 E332	T330-S334 PolarHBondContact O-N 3.37Å; T330-S334 PolarHBondContact O-OG 3.42Å; K331-S334 WeakPolarHBondContact O-CB 3.31Å; K331-S334 PolarHBondContact O-N 3.37Å; E332-S334 PolarHBondContact O-N 3.2Å; E332-S334 VanDerWaalsContact O-N 3.17Å
335	L	52.6	Low	61.7	Low	116 Å²	116	80.5 Å²	80.5	61%	0.607	44%	0.444	S	S	*	.	H	α-helix	trans	-88.2	-14.5	176.1	-72.3	164.5	0	0	0	113.5	K331 E332 E333 Q337 A338	K331-L335 WeakPolarHBondContact O-CD1 3.46Å; K331-L335 WeakPolarHBondContact O-CG 3.45Å; K331-L335 PolarHBondContact O-N 3.47Å; E332-L335 CarbonylContact O-C 3.52Å; E332-L335 VanDerWaalsContact O-C 3.29Å; E332-L335 VanDerWaalsContact O-CA 3.29Å; E332-L335 WeakPolarHBondContact O-CA 3.48Å; E332-L335 WeakPolarHBondContact O-CB 3.43Å; E332-L335 PolarHBondContact O-N 2.99Å; E333-L335 VanDerWaalsContact C-N 3.34Å; E333-L335 PolarHBondContact O-N 3.21Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-A338 CarbonylContact O-C 3.59Å; L335-A338 VanDerWaalsContact O-C 3.28Å; L335-A338 WeakPolarHBondContact O-CA 3.39Å; L335-A338 WeakPolarHBondContact O-CB 3.4Å; L335-A338 PolarHBondContact O-N 3.28Å
336	R	52.2	Low	59.5	Low	49 Å²	49	83.9 Å²	83.9	19%	0.185	47%	0.466	C	S	.	.	H	α-helix	trans	-82.3	-15.3	-177.3	-76.4	175.7	97	119.2	25.7	113.2	E332 E333 A338 G339 V340 N342	E332-R336 VanDerWaalsContact CD-NH1 3.26Å; E332-R336 HydrophobicContact CG-CG 3.97Å; E332-R336 WeakPolarHBondContact O-CB 3.08Å; E332-R336 WeakPolarHBondContact O-CG 3.29Å; E332-R336 PolarHBondContact O-N 2.6Å; E332-R336 IonicContact OE1-CZ 3.21Å; E332-R336 IonicContact OE1-NE 3.84Å; E332-R336 IonicContact OE1-NH1 3.92Å; E332-R336 PolarHBondContact OE1-NH1 2.89Å; E332-R336 IonicContact OE2-CZ 2.74Å; E332-R336 IonicContact OE2-NE 2.88Å; E332-R336 IonicContact OE2-NH1 3.83Å; E332-R336 PolarHBondContact OE2-NH1 3.34Å; E333-R336 PolarHBondContact O-N 2.74Å; R336-A338 PolarHBondContact O-N 3.02Å; R336-A338 VanDerWaalsContact O-N 3.15Å; R336-G339 PolarHBondContact O-N 2.88Å; R336-V340 PolarHBondContact NH2-O 3.18Å; R336-N342 VanDerWaalsContact CZ-OD1 3.25Å; R336-N342 PolarHBondContact NH1-ND2 3.45Å; R336-N342 PolarHBondContact NH1-OD1 3.01Å; R336-N342 PolarHBondContact NH2-ND2 2.95Å; R336-N342 PolarHBondContact NH2-OD1 3.09Å
337	Q	49.6	Very low	57.1	Low	187 Å²	187	84.6 Å²	84.6	87%	0.874	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-14.6	154.5	-62.5	-174.2	-5.3	0	0	112.2	L335	L335-Q337 VanDerWaalsContact C-N 3.34Å
338	A	41	Very low	55.3	Low	86 Å²	86	90.3 Å²	90.3	71%	0.711	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	31.9	168.2	0	0	0	0	0	113.9	L335 R336	L335-A338 CarbonylContact O-C 3.59Å; L335-A338 VanDerWaalsContact O-C 3.28Å; L335-A338 WeakPolarHBondContact O-CA 3.39Å; L335-A338 WeakPolarHBondContact O-CB 3.4Å; L335-A338 PolarHBondContact O-N 3.28Å; R336-A338 PolarHBondContact O-N 3.02Å; R336-A338 VanDerWaalsContact O-N 3.15Å
339	G	45.8	Very low	53.9	Low	64 Å²	64	92.3 Å²	92.3	66%	0.66	52%	0.516	S	S	*	.			trans	72.3	86.5	151.4	0	0	0	0	0	118.8	R336	R336-G339 PolarHBondContact O-N 2.88Å
340	V	47.7	Very low	53.2	Low	86 Å²	86	92.4 Å²	92.4	52%	0.521	52%	0.521	S	S	.	.			trans	-122.5	131	160.5	-176.3	0	0	0	0	109.7	R336 N342	R336-V340 PolarHBondContact NH2-O 3.18Å; V340-N342 PolarHBondContact O-N 3.41Å
341	A	43.2	Very low	52.8	Low	84 Å²	84	93.2 Å²	93.2	69%	0.694	53%	0.528	S	S	*	.			trans	-75.9	122	-178.8	0	0	0	0	0	111.6
342	N	46.6	Very low	53.3	Low	99 Å²	99	95.3 Å²	95.3	53%	0.529	54%	0.537	S	S	.	.			trans	-70.8	130.3	167.3	-99.5	-8.2	0	0	0	109.9	R336 V340	R336-N342 VanDerWaalsContact CZ-OD1 3.25Å; R336-N342 PolarHBondContact NH1-ND2 3.45Å; R336-N342 PolarHBondContact NH1-OD1 3.01Å; R336-N342 PolarHBondContact NH2-ND2 2.95Å; R336-N342 PolarHBondContact NH2-OD1 3.09Å; V340-N342 PolarHBondContact O-N 3.41Å
343	Q	53.7	Low	53.8	Low	87 Å²	87	99.7 Å²	99.7	41%	0.407	56%	0.558	S	S	.	*			trans	-124.6	83.3	173.7	-86.6	-169.5	-76.1	0	0	110.9	I345 L347	Q343-I345 WeakPolarHBondContact CB-O 3.23Å; Q343-I345 PolarHBondContact O-N 3.32Å; Q343-L347 VanDerWaalsContact NE2-CD2 3.26Å; Q343-L347 VanDerWaalsContact OE1-CG 3.31Å
344	F	43.7	Very low	54.3	Low	162 Å²	162	97 Å²	97	71%	0.711	55%	0.548	S	S	*	.	S	Bend	trans	-63	-17.5	165.8	-160.4	-91.7	0	0	0	112.2	N301	N301-F344 PolarHBondContact ND2-O 3.31Å
345	I	53.6	Low	55	Low	84 Å²	84	97 Å²	97	43%	0.431	54%	0.541	S	S	.	.	S	Bend	trans	-110.4	120	168.8	-57.2	170.1	0	0	0	107.4	Q343 V354	Q343-I345 WeakPolarHBondContact CB-O 3.23Å; Q343-I345 PolarHBondContact O-N 3.32Å; I345-V354 HydrophobicContact CD1-CG1 4.15Å; I345-V354 HydrophobicContact CD1-CG2 4.49Å; I345-V354 HydrophobicContact CG1-CG1 4.26Å; I345-V354 HydrophobicContact CG1-CG2 4.4Å; I345-V354 HydrophobicContact CG2-CG2 3.76Å
346	P	50.5	Low	56.1	Low	71 Å²	71	97.5 Å²	97.5	46%	0.461	54%	0.54	S	S	.	.			trans	-55.4	151.9	175.1	-25.4	34.4	0	0	0	113.1	N348 T349	P346-N348 PolarHBondContact O-N 2.68Å; P346-T349 PolarHBondContact O-N 3.33Å; P346-T349 PolarHBondContact O-OG1 2.84Å
347	L	42	Very low	57	Low	101 Å²	101	97.6 Å²	97.6	53%	0.529	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	124.1	173.9	-75.7	161.2	0	0	0	109.9	Q343	Q343-L347 VanDerWaalsContact NE2-CD2 3.26Å; Q343-L347 VanDerWaalsContact OE1-CG 3.31Å
348	N	50.5	Low	58	Low	165 Å²	165	94.9 Å²	94.9	88%	0.882	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	14.8	178.2	-38.3	-69.1	0	0	0	117.7	P346	P346-N348 PolarHBondContact O-N 2.68Å
349	T	60.9	Low	59.6	Low	46 Å²	46	94.2 Å²	94.2	28%	0.282	51%	0.51	S	S	.	.			trans	-69.1	139.7	165.8	-45	0	0	0	0	111.1	P346 E353 V354	P346-T349 PolarHBondContact O-N 3.33Å; P346-T349 PolarHBondContact O-OG1 2.84Å; T349-E353 HydrophobicContact CG2-CB 4.06Å; T349-E353 WeakPolarHBondContact CG2-OE2 3.45Å; T349-V354 HydrophobicContact CG2-CG2 3.66Å
350	D	70.6	Confident	60.8	Low	65 Å²	65	95.1 Å²	95.1	35%	0.348	50%	0.495	S	S	.	.			trans	-68.5	130.8	174.5	-174.3	-24.5	0	0	0	109.5	K352 E353 V354	D350-K352 PolarHBondContact O-N 3.08Å; D350-K352 WeakPolarHBondContact OD1-CB 3.17Å; D350-K352 WeakPolarHBondContact OD1-CG 3.43Å; D350-K352 PolarHBondContact OD1-N 2.68Å; D350-E353 HydrophobicContact CB-CB 4.31Å; D350-E353 HydrophobicContact CB-CG 3.9Å; D350-E353 PolarHBondContact N-OE2 3.41Å; D350-E353 WeakPolarHBondContact O-CB 3.44Å; D350-E353 PolarHBondContact O-N 3.34Å; D350-V354 PolarHBondContact O-N 3.05Å; D350-V354 VanDerWaalsContact O-N 3.07Å
351	P	71.4	Confident	61.8	Low	107 Å²	107	93.4 Å²	93.4	70%	0.695	48%	0.483	S	S	*	.	H	α-helix	trans	-48.5	-25.7	169.3	-30.5	36.8	0	0	0	115.3	L355	P351-L355 WeakPolarHBondContact O-CB 3.35Å; P351-L355 PolarHBondContact O-N 3.1Å; P351-L355 VanDerWaalsContact O-N 3.16Å
352	K	73.3	Confident	63	Low	136 Å²	136	97.8 Å²	97.8	59%	0.591	48%	0.481	S	S	*	.	H	α-helix	trans	-70.3	-49.3	170.6	-64.9	175	-173.8	165.3	0	112.6	D350 V354 L355 E356	D350-K352 PolarHBondContact O-N 3.08Å; D350-K352 WeakPolarHBondContact OD1-CB 3.17Å; D350-K352 WeakPolarHBondContact OD1-CG 3.43Å; D350-K352 PolarHBondContact OD1-N 2.68Å; K352-V354 PolarHBondContact O-N 3.32Å; K352-L355 CarbonylContact O-C 3.59Å; K352-L355 WeakPolarHBondContact O-CA 3.32Å; K352-L355 WeakPolarHBondContact O-CB 3.43Å; K352-L355 PolarHBondContact O-N 2.94Å; K352-E356 WeakPolarHBondContact O-CB 3.33Å; K352-E356 WeakPolarHBondContact O-CG 3.26Å; K352-E356 PolarHBondContact O-N 3.36Å
353	E	69.6	Low	64.1	Low	109 Å²	109	97.3 Å²	97.3	51%	0.509	48%	0.476	S	S	.	.	H	α-helix	trans	-57.4	-40.3	176.8	-67.4	165.8	159.1	0	0	110.5	T349 D350 E356 M357	T349-E353 HydrophobicContact CG2-CB 4.06Å; T349-E353 WeakPolarHBondContact CG2-OE2 3.45Å; D350-E353 HydrophobicContact CB-CB 4.31Å; D350-E353 HydrophobicContact CB-CG 3.9Å; D350-E353 PolarHBondContact N-OE2 3.41Å; D350-E353 WeakPolarHBondContact O-CB 3.44Å; D350-E353 PolarHBondContact O-N 3.34Å; E353-E356 PolarHBondContact O-N 2.97Å; E353-M357 WeakPolarHBondContact O-CB 3.31Å; E353-M357 PolarHBondContact O-N 3.41Å
354	V	67.9	Low	64.5	Low	47 Å²	47	94 Å²	94	29%	0.285	46%	0.461	S	S	.	.	H	α-helix	trans	-62.9	-41.8	173.7	-179.6	0	0	0	0	111.7	I345 T349 D350 K352 R358	I345-V354 HydrophobicContact CD1-CG1 4.15Å; I345-V354 HydrophobicContact CD1-CG2 4.49Å; I345-V354 HydrophobicContact CG1-CG1 4.26Å; I345-V354 HydrophobicContact CG1-CG2 4.4Å; I345-V354 HydrophobicContact CG2-CG2 3.76Å; T349-V354 HydrophobicContact CG2-CG2 3.66Å; D350-V354 PolarHBondContact O-N 3.05Å; D350-V354 VanDerWaalsContact O-N 3.07Å; K352-V354 PolarHBondContact O-N 3.32Å; V354-R358 WeakPolarHBondContact O-CB 3.47Å; V354-R358 PolarHBondContact O-N 3.46Å
355	L	69.6	Low	65.3	Low	86 Å²	86	88.8 Å²	88.8	45%	0.45	44%	0.44	S	S	.	.	H	α-helix	trans	-69.1	-40.9	178.8	-166.6	74.8	0	0	0	112.1	P351 K352 R358 N359	P351-L355 WeakPolarHBondContact O-CB 3.35Å; P351-L355 PolarHBondContact O-N 3.1Å; P351-L355 VanDerWaalsContact O-N 3.16Å; K352-L355 CarbonylContact O-C 3.59Å; K352-L355 WeakPolarHBondContact O-CA 3.32Å; K352-L355 WeakPolarHBondContact O-CB 3.43Å; K352-L355 PolarHBondContact O-N 2.94Å; L355-R358 VanDerWaalsContact CD1-CZ 3.47Å; L355-N359 WeakPolarHBondContact O-CB 3.48Å; L355-N359 PolarHBondContact O-N 3.46Å; L355-N359 PolarHBondContact O-ND2 2.99Å; L355-N359 PolarHBondContact O-OD1 2.83Å
356	E	75.8	Confident	65.7	Low	127 Å²	127	90.3 Å²	90.3	59%	0.593	45%	0.449	S	S	*	.	H	α-helix	trans	-68.2	-45.8	176.9	-73.1	173.7	-157.8	0	0	110.9	K352 E353 R358 N359 K360	K352-E356 WeakPolarHBondContact O-CB 3.33Å; K352-E356 WeakPolarHBondContact O-CG 3.26Å; K352-E356 PolarHBondContact O-N 3.36Å; E353-E356 PolarHBondContact O-N 2.97Å; E356-R358 PolarHBondContact O-N 2.91Å; E356-N359 CarbonylContact O-C 3.49Å; E356-N359 PolarHBondContact O-N 3.08Å; E356-N359 VanDerWaalsContact O-N 3.1Å; E356-K360 WeakPolarHBondContact O-CB 3.48Å; E356-K360 PolarHBondContact O-N 3.27Å
357	M	69.1	Low	65.8	Low	50 Å²	50	93 Å²	93	25%	0.246	46%	0.455	C	S	.	.	H	α-helix	trans	-59.7	-44.6	172.9	-173.3	65.6	81	0	0	111.3	Y273 H274 E353 N359 K360 I361	Y273-M357 HydrophobicContact CD1-CE 4.37Å; Y273-M357 HydrophobicContact CD1-SD 4.48Å; Y273-M357 HydrophobicContact CE1-CE 4.41Å; Y273-M357 HydrophobicContact CE1-CG 4.01Å; Y273-M357 HydrophobicContact CE1-SD 3.94Å; H274-M357 WeakPolarHBondContact O-CE 3.3Å; E353-M357 WeakPolarHBondContact O-CB 3.31Å; E353-M357 PolarHBondContact O-N 3.41Å; M357-N359 VanDerWaalsContact C-N 3.27Å; M357-N359 PolarHBondContact O-N 3.41Å; M357-K360 PolarHBondContact O-N 3.26Å; M357-K360 HydrophobicContact SD-CD 4.14Å; M357-I361 HydrophobicContact CG-CD1 3.98Å; M357-I361 WeakPolarHBondContact O-CB 3.22Å; M357-I361 VanDerWaalsContact O-CG1 3.26Å; M357-I361 WeakPolarHBondContact O-CG1 3.35Å; M357-I361 PolarHBondContact O-N 2.95Å
358	R	70.6	Confident	66.2	Low	131 Å²	131	91.2 Å²	91.2	49%	0.494	45%	0.446	S	S	.	.	H	α-helix	trans	-59.4	-38	174	-175.4	-153.3	71	172.1	2.7	111.9	V354 L355 E356 R362	V354-R358 WeakPolarHBondContact O-CB 3.47Å; V354-R358 PolarHBondContact O-N 3.46Å; L355-R358 VanDerWaalsContact CD1-CZ 3.47Å; E356-R358 PolarHBondContact O-N 2.91Å; R358-R362 VanDerWaalsContact O-CG 3.29Å; R358-R362 WeakPolarHBondContact O-CG 3.36Å; R358-R362 PolarHBondContact O-N 3.34Å; R358-R362 VanDerWaalsContact O-N 3.08Å
359	N	74.9	Confident	66	Low	72 Å²	72	89.3 Å²	89.3	39%	0.385	43%	0.434	S	S	.	.	H	α-helix	trans	-73.1	-43.1	177.3	-64.9	-14.8	0	0	0	111.2	L355 E356 M357 I361 R362 E363	L355-N359 WeakPolarHBondContact O-CB 3.48Å; L355-N359 PolarHBondContact O-N 3.46Å; L355-N359 PolarHBondContact O-ND2 2.99Å; L355-N359 PolarHBondContact O-OD1 2.83Å; E356-N359 CarbonylContact O-C 3.49Å; E356-N359 PolarHBondContact O-N 3.08Å; E356-N359 VanDerWaalsContact O-N 3.1Å; M357-N359 VanDerWaalsContact C-N 3.27Å; M357-N359 PolarHBondContact O-N 3.41Å; N359-I361 PolarHBondContact O-N 2.64Å; N359-R362 PolarHBondContact O-N 2.99Å; N359-E363 VanDerWaalsContact O-CB 3.31Å; N359-E363 WeakPolarHBondContact O-CB 3.09Å; N359-E363 PolarHBondContact O-N 3.22Å
360	K	72.6	Confident	65.3	Low	83 Å²	83	91.8 Å²	91.8	36%	0.361	44%	0.441	S	S	.	.	H	α-helix	trans	-54.9	-48.9	172.1	-177.4	-174.6	175.3	-169.9	0	110.6	H274 E356 M357 R362 E363 Q364	H274-K360 PolarHBondContact O-NZ 3.18Å; E356-K360 WeakPolarHBondContact O-CB 3.48Å; E356-K360 PolarHBondContact O-N 3.27Å; M357-K360 PolarHBondContact O-N 3.26Å; M357-K360 HydrophobicContact SD-CD 4.14Å; K360-R362 PolarHBondContact O-N 3.47Å; K360-E363 PolarHBondContact O-N 3.36Å; K360-Q364 HydrophobicContact CG-CG 4.46Å; K360-Q364 VanDerWaalsContact O-CB 3.28Å; K360-Q364 WeakPolarHBondContact O-CB 3.49Å; K360-Q364 WeakPolarHBondContact O-CG 3.3Å; K360-Q364 PolarHBondContact O-N 3.26Å
361	I	66.9	Low	64.1	Low	50 Å²	50	92.8 Å²	92.8	26%	0.256	45%	0.45	S	S	.	.	H	α-helix	trans	-54.9	-52.1	173.1	-76.3	165.5	0	0	0	111.2	Y273 I276 M357 N359 E363 Q364 N365	Y273-I361 HydrophobicContact CE1-CD1 4.08Å; I276-I361 HydrophobicContact CD1-CB 4.29Å; I276-I361 HydrophobicContact CD1-CG1 4.12Å; I276-I361 HydrophobicContact CD1-CG2 4.11Å; I276-I361 HydrophobicContact CG1-CG1 4.28Å; M357-I361 HydrophobicContact CG-CD1 3.98Å; M357-I361 WeakPolarHBondContact O-CB 3.22Å; M357-I361 VanDerWaalsContact O-CG1 3.26Å; M357-I361 WeakPolarHBondContact O-CG1 3.35Å; M357-I361 PolarHBondContact O-N 2.95Å; N359-I361 PolarHBondContact O-N 2.64Å; I361-E363 VanDerWaalsContact C-N 3.33Å; I361-E363 PolarHBondContact O-N 3.29Å; I361-Q364 PolarHBondContact O-N 2.83Å; I361-N365 WeakPolarHBondContact O-CB 3.38Å; I361-N365 PolarHBondContact O-N 3.14Å; I361-N365 PolarHBondContact O-ND2 3.12Å
362	R	69.3	Low	63	Low	175 Å²	175	92.3 Å²	92.3	66%	0.66	46%	0.455	S	S	*	.	H	α-helix	trans	-64.9	-36.3	-177.8	-75.4	175.6	64.2	87.4	5.9	113	R358 N359 K360 L366	R358-R362 VanDerWaalsContact O-CG 3.29Å; R358-R362 WeakPolarHBondContact O-CG 3.36Å; R358-R362 PolarHBondContact O-N 3.34Å; R358-R362 VanDerWaalsContact O-N 3.08Å; N359-R362 PolarHBondContact O-N 2.99Å; K360-R362 PolarHBondContact O-N 3.47Å; R362-L366 PolarHBondContact O-N 2.88Å
363	E	69.7	Low	62	Low	90 Å²	90	86.6 Å²	86.6	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-75.7	-40.5	178.9	-174.4	61.7	-157.6	0	0	111.5	N359 K360 I361 N365 L366 Q367	N359-E363 VanDerWaalsContact O-CB 3.31Å; N359-E363 WeakPolarHBondContact O-CB 3.09Å; N359-E363 PolarHBondContact O-N 3.22Å; K360-E363 PolarHBondContact O-N 3.36Å; I361-E363 VanDerWaalsContact C-N 3.33Å; I361-E363 PolarHBondContact O-N 3.29Å; E363-N365 VanDerWaalsContact C-N 3.33Å; E363-N365 PolarHBondContact O-N 3.36Å; E363-L366 CarbonylContact O-C 3.6Å; E363-L366 WeakPolarHBondContact O-CA 3.39Å; E363-L366 WeakPolarHBondContact O-CB 3.38Å; E363-L366 PolarHBondContact O-N 3.37Å; E363-Q367 HydrophobicContact CG-CG 4.37Å; E363-Q367 VanDerWaalsContact CG-NE2 3.34Å; E363-Q367 WeakPolarHBondContact O-CG 3.35Å; E363-Q367 PolarHBondContact O-N 2.83Å; E363-Q367 PolarHBondContact OE1-NE2 2.7Å
364	Q	62.9	Low	61.2	Low	17 Å²	17	84 Å²	84	8%	0.079	43%	0.427	C	S	.	.	H	α-helix	trans	-59.8	-44.6	171.6	-74.8	172.9	-26.1	0	0	110.6	L277 K360 I361 L366 Q367 D368	L277-Q364 HydrophobicContact CD1-CG 4.12Å; L277-Q364 HydrophobicContact CG-CG 4.2Å; L277-Q364 VanDerWaalsContact CG-NE2 3.32Å; K360-Q364 HydrophobicContact CG-CG 4.46Å; K360-Q364 VanDerWaalsContact O-CB 3.28Å; K360-Q364 WeakPolarHBondContact O-CB 3.49Å; K360-Q364 WeakPolarHBondContact O-CG 3.3Å; K360-Q364 PolarHBondContact O-N 3.26Å; I361-Q364 PolarHBondContact O-N 2.83Å; Q364-L366 PolarHBondContact O-N 2.77Å; Q364-Q367 PolarHBondContact O-N 3.47Å; Q364-D368 WeakPolarHBondContact O-CB 3.33Å; Q364-D368 PolarHBondContact O-N 2.99Å
365	N	59.2	Low	60.4	Low	53 Å²	53	88.4 Å²	88.4	28%	0.283	45%	0.445	S	S	.	.	H	α-helix	trans	-67.6	2.4	172.3	-79.2	-89.1	0	0	0	114.9	I276 I361 E363 K370	I276-N365 WeakPolarHBondContact CD1-ND2 3.35Å; I361-N365 WeakPolarHBondContact O-CB 3.38Å; I361-N365 PolarHBondContact O-N 3.14Å; I361-N365 PolarHBondContact O-ND2 3.12Å; E363-N365 VanDerWaalsContact C-N 3.33Å; E363-N365 PolarHBondContact O-N 3.36Å; N365-K370 HydrophobicContact CB-CD 4.47Å; N365-K370 WeakPolarHBondContact O-CD 3.28Å; N365-K370 WeakPolarHBondContact O-CG 3.36Å; N365-K370 WeakPolarHBondContact OD1-CE 3.44Å; N365-K370 PolarHBondContact OD1-NZ 3.26Å
366	L	61.9	Low	59.8	Low	116 Å²	116	84.8 Å²	84.8	61%	0.607	43%	0.427	S	S	*	.	H	α-helix	trans	-116.4	-32.3	175.9	-174.9	64.4	0	0	0	111.8	R362 E363 Q364	R362-L366 PolarHBondContact O-N 2.88Å; E363-L366 CarbonylContact O-C 3.6Å; E363-L366 WeakPolarHBondContact O-CA 3.39Å; E363-L366 WeakPolarHBondContact O-CB 3.38Å; E363-L366 PolarHBondContact O-N 3.37Å; Q364-L366 PolarHBondContact O-N 2.77Å
367	Q	53.3	Low	58.8	Low	128 Å²	128	84.9 Å²	84.9	60%	0.598	43%	0.427	S	S	*	.	H	α-helix	trans	-79	-40.3	175	-68.2	180	7.6	0	0	112	E363 Q364 I369	E363-Q367 HydrophobicContact CG-CG 4.37Å; E363-Q367 VanDerWaalsContact CG-NE2 3.34Å; E363-Q367 WeakPolarHBondContact O-CG 3.35Å; E363-Q367 PolarHBondContact O-N 2.83Å; E363-Q367 PolarHBondContact OE1-NE2 2.7Å; Q364-Q367 PolarHBondContact O-N 3.47Å; Q367-I369 VanDerWaalsContact C-N 3.31Å; Q367-I369 PolarHBondContact O-N 3.31Å
368	D	50.8	Low	57.9	Low	63 Å²	63	86.8 Å²	86.8	34%	0.337	44%	0.441	S	S	.	.	S	Bend	trans	-65.3	99.1	151.8	-79.1	-34.4	0	0	0	106.6	A219 Q364 K370	A219-D368 WeakPolarHBondContact CB-OD2 3.38Å; Q364-D368 WeakPolarHBondContact O-CB 3.33Å; Q364-D368 PolarHBondContact O-N 2.99Å; D368-K370 PolarHBondContact O-N 3.03Å
369	I	47	Very low	56.8	Low	125 Å²	125	86.2 Å²	86.2	64%	0.641	45%	0.448	S	S	*	.			trans	-61.8	103.3	-171	-54.8	176.8	0	0	0	109.3	Q367 T371	Q367-I369 VanDerWaalsContact C-N 3.31Å; Q367-I369 PolarHBondContact O-N 3.31Å; I369-T371 PolarHBondContact O-N 3.48Å
370	K	45.5	Very low	55.5	Low	98 Å²	98	86.8 Å²	86.8	43%	0.426	46%	0.456	S	S	.	.			trans	-73.6	53.1	173.2	-70.9	-166.2	177.2	-154.4	0	113.2	Y166 N365 D368	Y166-K370 HydrophobicContact CE1-CD 4.46Å; Y166-K370 VanDerWaalsContact OH-CD 3.31Å; Y166-K370 WeakPolarHBondContact OH-CD 3.3Å; Y166-K370 WeakPolarHBondContact OH-CE 3.32Å; Y166-K370 PolarHBondContact OH-NZ 2.85Å; N365-K370 HydrophobicContact CB-CD 4.47Å; N365-K370 WeakPolarHBondContact O-CD 3.28Å; N365-K370 WeakPolarHBondContact O-CG 3.36Å; N365-K370 WeakPolarHBondContact OD1-CE 3.44Å; N365-K370 PolarHBondContact OD1-NZ 3.26Å; D368-K370 PolarHBondContact O-N 3.03Å
371	T	45.3	Very low	54.2	Low	85 Å²	85	86.5 Å²	86.5	52%	0.521	47%	0.469	S	S	.	.			trans	-53.3	140.3	145.1	-69.8	0	0	0	0	108.1	I369 G373	I369-T371 PolarHBondContact O-N 3.48Å; T371-G373 VanDerWaalsContact CG2-O 3.31Å; T371-G373 WeakPolarHBondContact CG2-O 3.26Å; T371-G373 PolarHBondContact O-N 2.85Å
372	A	48.4	Very low	52.9	Low	97 Å²	97	87 Å²	87	80%	0.802	49%	0.487	S	S	*	.			trans	-74.4	33.9	-176	0	0	0	0	0	113.9
373	G	52.1	Low	51.4	Low	16 Å²	16	84.8 Å²	84.8	17%	0.165	49%	0.493	C	S	.	.			trans	66.6	-174	-158.3	0	0	0	0	0	112.8	T371	T371-G373 VanDerWaalsContact CG2-O 3.31Å; T371-G373 WeakPolarHBondContact CG2-O 3.26Å; T371-G373 PolarHBondContact O-N 2.85Å
374	P	52.2	Low	50	Low	55 Å²	55	86.9 Å²	86.9	36%	0.357	51%	0.511	S	S	.	.	S	Bend	trans	-59.3	161.3	149	34.8	-38.4	0	0	0	109.3	L214 S376	L214-P374 HydrophobicContact CD1-CG 3.91Å; L214-P374 HydrophobicContact CD2-CB 4.25Å; L214-P374 HydrophobicContact CD2-CG 3.76Å; P374-S376 PolarHBondContact O-N 3.43Å
375	Q	52.3	Low	48.8	Very low	139 Å²	139	90.1 Å²	90.1	65%	0.65	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-63	123.7	174.3	-171.1	174.6	-7	0	0	110.3	L379	Q375-L379 HydrophobicContact CG-CB 4.38Å
376	S	56.8	Low	47.6	Very low	11 Å²	11	94.4 Å²	94.4	8%	0.077	55%	0.55	C	S	.	*	P	Polyproline II helix	trans	-52.6	137.2	176.2	160.6	0	0	0	0	111.3	E191 P374 V378 L379 C380	E191-S376 VanDerWaalsContact CD-OG 3.32Å; E191-S376 VanDerWaalsContact OE1-CA 3.31Å; E191-S376 WeakPolarHBondContact OE1-CA 3.37Å; E191-S376 VanDerWaalsContact OE1-CB 3.28Å; E191-S376 WeakPolarHBondContact OE1-CB 3.3Å; E191-S376 PolarHBondContact OE1-OG 3.15Å; P374-S376 PolarHBondContact O-N 3.43Å; S376-V378 PolarHBondContact O-N 3.4Å; S376-V378 WeakPolarHBondContact OG-CB 3.5Å; S376-V378 PolarHBondContact OG-N 2.9Å; S376-L379 WeakPolarHBondContact O-CB 3.34Å; S376-L379 PolarHBondContact O-N 3.27Å; S376-C380 PolarHBondContact O-N 2.85Å
377	Q	53.4	Low	46.5	Very low	129 Å²	129	95 Å²	95	60%	0.603	55%	0.545	S	S	*	.	H	α-helix	trans	-62.8	-31	177.4	-61.7	-175.1	9.9	0	0	111.4	E191 L379 C380 A381	E191-Q377 PolarHBondContact OE1-N 2.92Å; Q377-L379 VanDerWaalsContact C-N 3.31Å; Q377-L379 PolarHBondContact O-N 3.4Å; Q377-C380 PolarHBondContact O-N 3.13Å; Q377-A381 WeakPolarHBondContact O-CB 3.48Å; Q377-A381 PolarHBondContact O-N 2.89Å
378	V	52.2	Low	46.1	Very low	89 Å²	89	93.9 Å²	93.9	54%	0.539	55%	0.546	S	S	.	.	H	α-helix	trans	-62.8	-38.6	173.5	-173.5	0	0	0	0	111.1	E191 S376 A381	E191-V378 HydrophobicContact CG-CG2 4.03Å; E191-V378 PolarHBondContact OE1-N 3.5Å; S376-V378 PolarHBondContact O-N 3.4Å; S376-V378 WeakPolarHBondContact OG-CB 3.5Å; S376-V378 PolarHBondContact OG-N 2.9Å; V378-A381 PolarHBondContact O-N 3.23Å
379	L	47.1	Very low	45.5	Very low	120 Å²	120	98.3 Å²	98.3	63%	0.628	56%	0.563	S	S	*	*	H	α-helix	trans	-74.5	-30.9	175.5	-60.5	178.4	0	0	0	112.3	Q375 S376 Q377 G382	Q375-L379 HydrophobicContact CG-CB 4.38Å; S376-L379 WeakPolarHBondContact O-CB 3.34Å; S376-L379 PolarHBondContact O-N 3.27Å; Q377-L379 VanDerWaalsContact C-N 3.31Å; Q377-L379 PolarHBondContact O-N 3.4Å; L379-G382 PolarHBondContact O-N 3.45Å
380	C	47.2	Very low	45.1	Very low	84 Å²	84	96.8 Å²	96.8	57%	0.568	56%	0.556	S	S	*	*	H	α-helix	trans	-71.5	-27.8	172.7	-65	0	0	0	0	113.1	S376 Q377 G382	S376-C380 PolarHBondContact O-N 2.85Å; Q377-C380 PolarHBondContact O-N 3.13Å; C380-G382 PolarHBondContact O-N 2.99Å
381	A	44.5	Very low	44.6	Very low	77 Å²	77	99.8 Å²	99.8	64%	0.636	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	15.2	174.7	0	0	0	0	0	113.7	Q377 V378 T383	Q377-A381 WeakPolarHBondContact O-CB 3.48Å; Q377-A381 PolarHBondContact O-N 2.89Å; V378-A381 PolarHBondContact O-N 3.23Å; A381-T383 VanDerWaalsContact C-N 3.32Å; A381-T383 PolarHBondContact O-N 3.2Å
382	G	39.8	Very low	44.3	Very low	60 Å²	60	107.5 Å²	107.5	62%	0.619	59%	0.591	S	S	*	*			trans	-74	58.6	-166.6	0	0	0	0	0	117.3	L379 C380	L379-G382 PolarHBondContact O-N 3.45Å; C380-G382 PolarHBondContact O-N 2.99Å
383	T	38.1	Very low	43.6	Very low	128 Å²	128	106.6 Å²	106.6	79%	0.785	57%	0.572	S	S	*	*	S	Bend	trans	-141	107.3	156.2	-30.8	0	0	0	0	111	A381	A381-T383 VanDerWaalsContact C-N 3.32Å; A381-T383 PolarHBondContact O-N 3.2Å
384	V	41.2	Very low	42.8	Very low	135 Å²	135	110.3 Å²	110.3	82%	0.818	60%	0.596	S	S	*	*	S	Bend	trans	65.3	87.5	178.2	-159	0	0	0	0	115.8
385	V	35.9	Very low	42.1	Very low	84 Å²	84	117.1 Å²	117.1	51%	0.509	62%	0.62	S	S	.	*				179.6	107.2	112.7	158.6	0	0	0	0	107.1	R387	V385-R387 HydrophobicContact CG1-CG 3.95Å; V385-R387 PolarHBondContact O-N 2.85Å
386	E	34.7	Very low	41.1	Very low	143 Å²	143	117.6 Å²	117.6	67%	0.668	63%	0.626	S	S	*	*			trans	-76.1	110	177.2	-173.5	-169.2	163.5	0	0	110.3	T388 N390	E386-T388 PolarHBondContact O-N 3.2Å; E386-N390 VanDerWaalsContact CD-ND2 3.34Å; E386-N390 PolarHBondContact OE1-ND2 2.86Å
387	R	38.8	Very low	39.8	Very low	130 Å²	130	126.1 Å²	126.1	49%	0.491	67%	0.665	S	S	.	*			trans	-92.3	99.9	-179.8	-65.3	-169.5	-171.3	157.8	9.4	112.2	G122 V385 F389	G122-R387 PolarHBondContact O-NH2 3.02Å; V385-R387 HydrophobicContact CG1-CG 3.95Å; V385-R387 PolarHBondContact O-N 2.85Å; R387-F389 PolarHBondContact O-N 2.8Å
388	T	44.1	Very low	38.5	Very low	103 Å²	103	128 Å²	128	63%	0.632	68%	0.68	S	S	*	*	S	Bend	trans	69.9	29.3	144.5	-27.6	0	0	0	0	118.5	E386 Q391	E386-T388 PolarHBondContact O-N 3.2Å; T388-Q391 HydrophobicContact CG2-CB 4.33Å
389	F	39.7	Very low	37.4	Very low	157 Å²	157	128.1 Å²	128.1	69%	0.689	69%	0.689	S	S	*	*	S	Bend	trans	-73.5	-36.4	157.9	-159.5	-108.1	0	0	0	111.3	R387 Q391 R392 L393	R387-F389 PolarHBondContact O-N 2.8Å; F389-Q391 VanDerWaalsContact C-N 3.31Å; F389-Q391 PolarHBondContact O-N 3.19Å; F389-Q391 VanDerWaalsContact O-N 3.14Å; F389-R392 PolarHBondContact O-N 3.15Å; F389-L393 HydrophobicContact CD1-CD1 3.79Å; F389-L393 HydrophobicContact CE1-CD1 3.73Å
390	N	37.9	Very low	36.6	Very low	92 Å²	92	128.3 Å²	128.3	49%	0.492	70%	0.698	S	S	.	*	G	3₁₀ helix	trans	-66.9	-16.3	-169.9	-66.9	-56.3	0	0	0	116.4	E386 R392 L393	E386-N390 VanDerWaalsContact CD-ND2 3.34Å; E386-N390 PolarHBondContact OE1-ND2 2.86Å; N390-R392 VanDerWaalsContact C-N 3.31Å; N390-R392 PolarHBondContact O-N 3.46Å; N390-L393 PolarHBondContact O-N 3.37Å
391	Q	34.3	Very low	35.7	Very low	162 Å²	162	132.9 Å²	132.9	76%	0.757	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-80.1	-7.2	-177.6	-158	166.2	16.7	0	0	114.2	T388 F389	T388-Q391 HydrophobicContact CG2-CB 4.33Å; F389-Q391 VanDerWaalsContact C-N 3.31Å; F389-Q391 PolarHBondContact O-N 3.19Å; F389-Q391 VanDerWaalsContact O-N 3.14Å
392	R	39.7	Very low	34.9	Very low	246 Å²	246	134.6 Å²	134.6	93%	0.928	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-101.1	0.1	168.3	-77.7	-173.5	173.1	-179.5	-0.8	113.9	F389 N390	F389-R392 PolarHBondContact O-N 3.15Å; N390-R392 VanDerWaalsContact C-N 3.31Å; N390-R392 PolarHBondContact O-N 3.46Å
393	L	34.7	Very low	34.3	Very low	78 Å²	78	139 Å²	139	41%	0.408	73%	0.732	S	S	.	*			trans	-104.1	2.6	-173.1	-106	161.5	0	0	0	114.8	F389 N390 F395 L396	F389-L393 HydrophobicContact CD1-CD1 3.79Å; F389-L393 HydrophobicContact CE1-CD1 3.73Å; N390-L393 PolarHBondContact O-N 3.37Å; L393-F395 PolarHBondContact O-N 2.88Å; L393-L396 PolarHBondContact O-N 2.91Å
394	S	34.2	Very low	33.7	Very low	94 Å²	94	138.9 Å²	138.9	66%	0.657	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	31.4	-177	70	0	0	0	0	115.5
395	F	37.4	Very low	33.2	Very low	198 Å²	198	138.8 Å²	138.8	87%	0.868	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.6	-4.8	174.9	-83.4	-69	0	0	0	114.5	L393	L393-F395 PolarHBondContact O-N 2.88Å
396	L	30.8	Very low	32.8	Very low	149 Å²	149	142.8 Å²	142.8	78%	0.78	75%	0.754	S	S	*	*			trans	-127.2	112.6	164.1	-84.5	89.1	0	0	0	109.5	L393	L393-L396 PolarHBondContact O-N 2.91Å
397	Q	29.4	Very low	32.7	Very low	191 Å²	191	142.4 Å²	142.4	89%	0.893	76%	0.761	S	S	*	*			trans	-128.5	110.3	169.8	-179.2	176.1	6.6	0	0	108.8
398	D	27.2	Very low	32.2	Very low	169 Å²	169	144.6 Å²	144.6	90%	0.904	78%	0.781	S	S	*	*			trans	-120.3	155.1	158.1	-96.8	-49.1	0	0	0	108.5
399	A	28.6	Very low	31.3	Very low	90 Å²	90	147.3 Å²	147.3	74%	0.744	79%	0.792	S	S	*	*			trans	-81.8	152.8	-162.7	0	0	0	0	0	114.4
400	P	30.5	Very low	30.7	Very low	125 Å²	125	142.8 Å²	142.8	81%	0.812	79%	0.789	S	S	*	*			trans	-80	155.4	-176.8	33.2	-36.5	0	0	0	113.5
401	L	27.7	Very low	30.3	Very low	179 Å²	179	146.4 Å²	146.4	94%	0.937	81%	0.808	S	S	*	*			trans	-105.3	144.7	162.2	-80.5	164.6	0	0	0	109.6
402	S	28.6	Very low	29.9	Very low	114 Å²	114	145.9 Å²	145.9	80%	0.797	81%	0.81	S	S	*	*			trans	-90.5	139.4	180	-173.7	0	0	0	0	111.2
403	D	27.7	Very low	29.6	Very low	151 Å²	151	140 Å²	140	81%	0.807	80%	0.801	S	S	*	*			trans	-65.8	151.6	162.3	-79.8	-48.8	0	0	0	111.4
404	C	24.9	Very low	29.4	Very low	126 Å²	126	142 Å²	142	85%	0.851	82%	0.822	S	S	*	*			trans	-150.7	114.5	156.7	53.8	0	0	0	0	110.6
405	T	29.5	Very low	29.2	Very low	133 Å²	133	146.9 Å²	146.9	82%	0.816	83%	0.834	S	S	*	*			trans	-120.4	114.7	168.6	54.2	0	0	0	0	108.8
406	D	27.6	Very low	28.8	Very low	169 Å²	169	141.1 Å²	141.1	90%	0.904	83%	0.831	S	S	*	*			trans	-143.7	137.6	162.5	-103.6	-41.7	0	0	0	109.3
407	T	33.2	Very low	28.6	Very low	134 Å²	134	139.8 Å²	139.8	82%	0.822	83%	0.833	S	S	*	*			trans	-93.3	148	-173.6	46.1	0	0	0	0	112.2
408	I	28.6	Very low	28.4	Very low	176 Å²	176	141.4 Å²	141.4	90%	0.903	83%	0.833	S	S	*	*			trans	-123.7	131.3	160.7	-59.6	-178.6	0	0	0	108.2
409	D	25.7	Very low	28.5	Very low	161 Å²	161	139.1 Å²	139.1	86%	0.861	83%	0.83	S	S	*	*			trans	-103.1	155.5	-173.9	-145.8	-20	0	0	0	111.8
410	G	26.9	Very low	28.7	Very low	61 Å²	61	140.4 Å²	140.4	63%	0.629	83%	0.831	S	S	*	*			trans	90.4	112.5	165.2	0	0	0	0	0	118.5
411	L	28.8	Very low	28.5	Very low	169 Å²	169	139 Å²	139	89%	0.885	83%	0.83	S	S	*	*				-165.9	99.2	114.3	-105	169.1	0	0	0	113.6
412	D	26.9	Very low	28.5	Very low	151 Å²	151	140 Å²	140	81%	0.807	83%	0.827	S	S	*	*			trans	66.9	166.6	142.9	-131.5	-17.4	0	0	0	122.4
413	V	33.7	Very low	28.6	Very low	123 Å²	123	141.3 Å²	141.3	75%	0.745	83%	0.83	S	S	*	*			trans	-128.5	134.5	-161	177.9	0	0	0	0	111.3
414	S	28.9	Very low	28.8	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	83%	0.83	S	S	*	*			trans	-158.6	155.4	159.9	-65.3	0	0	0	0	113.2
415	E	31.4	Very low	29.2	Very low	197 Å²	197	146.8 Å²	146.8	92%	0.921	83%	0.832	S	S	*	*			trans	-41.8	155	175.5	-54.3	170.8	142.8	0	0	116.3
416	G	27.1	Very low	29.1	Very low	77 Å²	77	150.3 Å²	150.3	79%	0.794	84%	0.836	S	S	*	*			cis	143	86.8	-1.3	0	0	0	0	0	113.9
417	S	27.3	Very low	29	Very low	120 Å²	120	145.4 Å²	145.4	84%	0.839	83%	0.825	S	S	*	*			trans	-151.6	145.1	159.8	62.9	0	0	0	0	111.5
418	Y	26.5	Very low	28.7	Very low	226 Å²	226	147.8 Å²	147.8	89%	0.886	83%	0.827	S	S	*	*			trans	-111.6	141.1	-170.8	-98.2	-104.4	0	0	0	112.2
419	S	28.4	Very low	28.7	Very low	120 Å²	120	147.8 Å²	147.8	84%	0.839	83%	0.828	S	S	*	*			trans	-158.9	153.9	145	-86.3	0	0	0	0	111.2
420	P	32.8	Very low	28.8	Very low	118 Å²	118	146.1 Å²	146.1	77%	0.766	82%	0.823	S	S	*	*			trans	-119.6	175.7	-142.9	40.8	-30.5	0	0	0	116.7
421	A	25.9	Very low	28.9	Very low	96 Å²	96	148.3 Å²	148.3	79%	0.793	83%	0.825	S	S	*	*			trans	67.6	84.4	155.3	0	0	0	0	0	119.2
422	K	28.6	Very low	28.9	Very low	198 Å²	198	145.4 Å²	145.4	86%	0.861	83%	0.825	S	S	*	*			trans	-138.8	104.9	145.9	-88.7	-172.1	178.8	175.2	0	111.5
423	T	29.2	Very low	29.2	Very low	143 Å²	143	143 Å²	143	88%	0.877	82%	0.82	S	S	*	*			trans	-149.1	69.4	167.6	-41.3	0	0	0	0	109.8
424	I	32.1	Very low	29.3	Very low	156 Å²	156	147 Å²	147	80%	0.8	83%	0.827	S	S	*	*			trans	-77.9	124.5	178.5	-66.7	175.7	0	0	0	109.2
425	R	34.4	Very low	29.4	Very low	235 Å²	235	146.1 Å²	146.1	89%	0.887	83%	0.827	S	S	*	*			trans	-84.3	117.2	167.1	-71.1	-174.7	-178.8	-179	0.8	110.4
426	K	27.8	Very low	29.6	Very low	208 Å²	208	144.5 Å²	144.5	90%	0.904	82%	0.823	S	S	*	*			trans	161.4	148.4	158.9	-95.1	170	-179.4	-172.6	0	105.4
427	G	25.3	Very low	30.1	Very low	66 Å²	66	148.4 Å²	148.4	68%	0.68	82%	0.824	S	S	*	*			cis	168.1	-172.6	4	0	0	0	0	0	108
428	E	26.9	Very low	30.4	Very low	184 Å²	184	152.1 Å²	152.1	86%	0.86	83%	0.828	S	S	*	*			trans	53	99.2	166.5	-68.8	179.6	108.5	0	0	118.5	V430	E428-V430 HydrophobicContact CB-CG2 4.44Å; E428-V430 PolarHBondContact O-N 3.42Å
429	L	28	Very low	31.4	Very low	176 Å²	176	150.4 Å²	150.4	92%	0.921	83%	0.825	S	S	*	*			trans	-50.9	120.3	146.6	-177.7	81.9	0	0	0	110.1
430	V	28	Very low	32.3	Very low	126 Å²	126	153.6 Å²	153.6	76%	0.764	83%	0.827	S	S	*	*			trans	-118.5	120.6	170.5	-178.5	0	0	0	0	110.8	E428	E428-V430 HydrophobicContact CB-CG2 4.44Å; E428-V430 PolarHBondContact O-N 3.42Å
431	T	28.9	Very low	32.4	Very low	107 Å²	107	158 Å²	158	66%	0.656	83%	0.829	S	S	*	*			trans	-57.8	127.9	-174.1	-44.5	0	0	0	0	113.9	S433	T431-S433 PolarHBondContact O-N 2.66Å
432	A	29.5	Very low	32.8	Very low	108 Å²	108	162.4 Å²	162.4	89%	0.893	83%	0.834	S	S	*	*	S	Bend	trans	-73	69.5	167.7	0	0	0	0	0	111.6
433	S	33	Very low	33.2	Very low	99 Å²	99	157.7 Å²	157.7	69%	0.692	82%	0.823	S	S	*	*			trans	-153.2	39.3	178.7	-65.6	0	0	0	0	114	T431	T431-S433 PolarHBondContact O-N 2.66Å
434	K	36.1	Very low	33.3	Very low	209 Å²	209	160.3 Å²	160.3	91%	0.909	82%	0.823	S	S	*	*			trans	-155.5	56.9	169.8	-148.4	177.8	-176.4	-177.8	0	116.2
435	A	30	Very low	33.3	Very low	99 Å²	99	159.1 Å²	159.1	82%	0.818	82%	0.823	S	S	*	*			trans	-155	74	166.3	0	0	0	0	0	112.2
436	I	36.1	Very low	33.4	Very low	164 Å²	164	155.5 Å²	155.5	84%	0.841	82%	0.819	S	S	*	*			trans	-95.5	144.2	150.8	-59.1	177.5	0	0	0	105.6
437	I	37.2	Very low	33.7	Very low	159 Å²	159	151.4 Å²	151.4	82%	0.815	81%	0.811	S	S	*	*			trans	72.4	85.1	-170.1	-41.2	175.8	0	0	0	112.9
438	E	34.1	Very low	34.1	Very low	198 Å²	198	153.6 Å²	153.6	93%	0.925	82%	0.816	S	S	*	*				-134.8	132.9	119.6	-125.7	165.3	-143	0	0	108.4
439	K	47.5	Very low	34.6	Very low	189 Å²	189	154.2 Å²	154.2	82%	0.822	82%	0.816	S	S	*	*			trans	-90.2	161.3	176.1	-115.3	178.6	177.8	179.8	0	107.8
440	E	47.4	Very low	35.2	Very low	188 Å²	188	152.6 Å²	152.6	88%	0.879	81%	0.813	S	S	*	*			trans	80	57.9	172.5	-55.6	172.7	-152.6	0	0	117
441	Y	34.3	Very low	36	Very low	209 Å²	209	149.5 Å²	149.5	82%	0.82	81%	0.807	S	S	*	*			trans	-138.5	113	147.1	-144.9	-104.7	0	0	0	112.6	P443	Y441-P443 HydrophobicContact CE1-CB 4.24Å
442	Q	35.5	Very low	36.7	Very low	189 Å²	189	150.5 Å²	150.5	88%	0.883	82%	0.815	S	S	*	*			trans	-117	101.8	165.1	-82.1	-165.7	-13.7	0	0	109	K444	Q442-K444 PolarHBondContact O-N 3.06Å
443	P	34.9	Very low	37.4	Very low	99 Å²	99	149.9 Å²	149.9	64%	0.643	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-70.4	117.2	174.7	28	-31.5	0	0	0	109.7	Y441 V445	Y441-P443 HydrophobicContact CE1-CB 4.24Å; P443-V445 PolarHBondContact O-N 3.32Å
444	K	33.1	Very low	38.1	Very low	198 Å²	198	150.8 Å²	150.8	86%	0.861	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67	122.1	177.3	-67	175.4	-179.5	173.9	0	109.9	Q442 I446	Q442-K444 PolarHBondContact O-N 3.06Å; K444-I446 PolarHBondContact O-N 3.43Å
445	V	30.5	Very low	38.5	Very low	132 Å²	132	148 Å²	148	80%	0.8	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-67.1	117.1	174.2	178.2	0	0	0	0	109.6	P443	P443-V445 PolarHBondContact O-N 3.32Å
446	I	37.3	Very low	39.5	Very low	158 Å²	158	150 Å²	150	81%	0.81	79%	0.785	S	S	*	*			trans	-87.4	110.7	171.6	-60.9	177.8	0	0	0	107.9	K444 S448	K444-I446 PolarHBondContact O-N 3.43Å; I446-S448 PolarHBondContact O-N 3.48Å
447	V	33.4	Very low	40.4	Very low	122 Å²	122	151.8 Å²	151.8	74%	0.739	79%	0.787	S	S	*	*			trans	-76.2	104.5	178.1	-178.8	0	0	0	0	109.7
448	S	34.7	Very low	41.2	Very low	112 Å²	112	148.9 Å²	148.9	78%	0.783	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-73	146.1	166.2	-166	0	0	0	0	110.4	I446	I446-S448 PolarHBondContact O-N 3.48Å
449	K	37.8	Very low	42.4	Very low	197 Å²	197	143.6 Å²	143.6	86%	0.857	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-90.7	148	-175.3	-67.8	-175	178.2	-178.2	0	111.9
450	T	40.7	Very low	42.9	Very low	142 Å²	142	140.9 Å²	140.9	87%	0.871	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-65.6	146.9	-170.8	28	0	0	0	0	114.7
451	G	43.3	Very low	43.2	Very low	61 Å²	61	138.8 Å²	138.8	63%	0.629	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-73.1	166.8	156.7	0	0	0	0	0	111.8	N453	G451-N453 PolarHBondContact O-N 3.38Å
452	P	45.2	Very low	44.4	Very low	128 Å²	128	133.4 Å²	133.4	83%	0.831	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-69.9	128	-166.6	-20.3	33.8	0	0	0	114.1
453	N	43.6	Very low	45.4	Very low	96 Å²	96	128.5 Å²	128.5	51%	0.513	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-70.7	129.8	167.6	178.7	-15.5	0	0	0	109.5	G451 F455 N456	G451-N453 PolarHBondContact O-N 3.38Å; N453-F455 PolarHBondContact O-N 3.37Å; N453-F455 VanDerWaalsContact O-N 3.16Å; N453-F455 WeakPolarHBondContact OD1-CD2 3.5Å; N453-F455 PolarHBondContact OD1-N 3.26Å; N453-N456 WeakPolarHBondContact O-CB 3.33Å; N453-N456 PolarHBondContact O-N 2.95Å
454	P	46.5	Very low	46.7	Very low	117 Å²	117	129.1 Å²	129.1	76%	0.76	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-15.8	-178.3	25.1	-35.3	0	0	0	115.2	N456	P454-N456 VanDerWaalsContact C-N 3.29Å; P454-N456 PolarHBondContact O-N 3.48Å
455	F	44.6	Very low	48.3	Very low	151 Å²	151	125.4 Å²	125.4	66%	0.662	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	7.3	-179.4	-63.1	-70.7	0	0	0	115	N453 K457 L458	N453-F455 PolarHBondContact O-N 3.37Å; N453-F455 VanDerWaalsContact O-N 3.16Å; N453-F455 WeakPolarHBondContact OD1-CD2 3.5Å; N453-F455 PolarHBondContact OD1-N 3.26Å; F455-K457 PolarHBondContact O-N 3.41Å; F455-L458 PolarHBondContact O-N 2.9Å
456	N	51.4	Low	49.4	Very low	140 Å²	140	126.4 Å²	126.4	75%	0.749	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	33.1	-172.6	-134	36.4	0	0	0	115.6	N453 P454	N453-N456 WeakPolarHBondContact O-CB 3.33Å; N453-N456 PolarHBondContact O-N 2.95Å; P454-N456 VanDerWaalsContact C-N 3.29Å; P454-N456 PolarHBondContact O-N 3.48Å
457	K	54.6	Low	50.6	Low	202 Å²	202	122.6 Å²	122.6	88%	0.878	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.4	3.9	177.7	-77.9	-164.5	175.1	-174.2	0	114.4	F455	F455-K457 PolarHBondContact O-N 3.41Å
458	L	54.1	Low	52.3	Low	99 Å²	99	122.2 Å²	122.2	52%	0.518	64%	0.643	S	S	.	*	S	Bend	trans	-100	133.9	166.1	-64.7	172	0	0	0	108.1	F455 L463	F455-L458 PolarHBondContact O-N 2.9Å; L458-L463 HydrophobicContact CB-CD1 3.63Å; L458-L463 HydrophobicContact CD1-CD1 3.86Å; L458-L463 HydrophobicContact CG-CD1 4.39Å
459	T	61	Low	53.9	Low	87 Å²	87	121.2 Å²	121.2	53%	0.534	63%	0.626	S	S	.	*			trans	-79.8	147.3	178.6	-28.2	0	0	0	0	109.2	Q461 E462 L463	T459-Q461 PolarHBondContact O-N 3.49Å; T459-E462 VanDerWaalsContact CB-OE2 3.25Å; T459-E462 WeakPolarHBondContact CB-OE2 3.39Å; T459-E462 PolarHBondContact N-OE2 2.93Å; T459-E462 WeakPolarHBondContact O-CB 3.45Å; T459-E462 PolarHBondContact O-N 3.28Å; T459-E462 PolarHBondContact OG1-OE2 3.32Å; T459-L463 PolarHBondContact O-N 2.78Å; T459-L463 VanDerWaalsContact O-N 3.15Å
460	D	56.6	Low	55.3	Low	131 Å²	131	114.1 Å²	114.1	70%	0.701	60%	0.599	S	S	*	*	H	α-helix	trans	-53.5	-33.9	-177.5	-57	-46.5	0	0	0	112.7	E462 L463 E464	D460-E462 PolarHBondContact O-N 2.9Å; D460-L463 WeakPolarHBondContact O-CB 3.41Å; D460-L463 PolarHBondContact O-N 2.74Å; D460-E464 PolarHBondContact O-N 3.28Å
461	Q	54.2	Low	56.3	Low	144 Å²	144	112.3 Å²	112.3	67%	0.673	58%	0.581	S	S	*	*	H	α-helix	trans	-65.8	-33.6	177	-165.1	168.5	19.3	0	0	113.6	T459 E465	T459-Q461 PolarHBondContact O-N 3.49Å; Q461-E465 PolarHBondContact O-N 3.42Å; Q461-E465 VanDerWaalsContact O-N 3.16Å
462	E	59.1	Low	57	Low	97 Å²	97	116.6 Å²	116.6	45%	0.453	58%	0.584	S	S	.	*	H	α-helix	trans	-75.9	-35	174.9	-61.3	169.5	112.4	0	0	110.7	T459 D460 E465 Y466	T459-E462 VanDerWaalsContact CB-OE2 3.25Å; T459-E462 WeakPolarHBondContact CB-OE2 3.39Å; T459-E462 PolarHBondContact N-OE2 2.93Å; T459-E462 WeakPolarHBondContact O-CB 3.45Å; T459-E462 PolarHBondContact O-N 3.28Å; T459-E462 PolarHBondContact OG1-OE2 3.32Å; D460-E462 PolarHBondContact O-N 2.9Å; E462-E465 PolarHBondContact O-N 3.16Å; E462-Y466 WeakPolarHBondContact O-CB 3.44Å; E462-Y466 PolarHBondContact O-N 3.33Å
463	L	57.5	Low	57.8	Low	85 Å²	85	117.4 Å²	117.4	45%	0.445	58%	0.575	S	S	.	*	H	α-helix	trans	-63.8	-42.9	171.7	-113.4	68.3	0	0	0	111.7	L458 T459 D460 Y466 C467	L458-L463 HydrophobicContact CB-CD1 3.63Å; L458-L463 HydrophobicContact CD1-CD1 3.86Å; L458-L463 HydrophobicContact CG-CD1 4.39Å; T459-L463 PolarHBondContact O-N 2.78Å; T459-L463 VanDerWaalsContact O-N 3.15Å; D460-L463 WeakPolarHBondContact O-CB 3.41Å; D460-L463 PolarHBondContact O-N 2.74Å; L463-Y466 PolarHBondContact O-N 3.15Å; L463-C467 WeakPolarHBondContact O-CB 3.43Å; L463-C467 PolarHBondContact O-N 3.49Å; L463-C467 PolarHBondContact O-SG 2.89Å; L463-C467 VanDerWaalsContact O-SG 3.37Å
464	E	62.6	Low	58.8	Low	113 Å²	113	120.4 Å²	120.4	53%	0.528	59%	0.585	S	S	.	*	H	α-helix	trans	-65.5	-37.8	174.9	-76	-165	-179.7	0	0	113.4	D460 C467 R468	D460-E464 PolarHBondContact O-N 3.28Å; E464-C467 PolarHBondContact O-N 2.92Å; E464-R468 WeakPolarHBondContact O-CB 3.43Å; E464-R468 WeakPolarHBondContact O-CG 3.38Å; E464-R468 PolarHBondContact O-N 2.99Å; E464-R468 PolarHBondContact O-NE 3.38Å; E464-R468 IonicContact OE2-CZ 2.57Å; E464-R468 IonicContact OE2-NH2 3.59Å; E464-R468 PolarHBondContact OE2-NH2 3.43Å
465	E	64.6	Low	59.2	Low	119 Å²	119	122.2 Å²	122.2	56%	0.556	58%	0.581	S	S	*	*	H	α-helix	trans	-66.4	-42	174.8	-77.4	-165.2	151	0	0	111.5	Q461 E462 R468 E469	Q461-E465 PolarHBondContact O-N 3.42Å; Q461-E465 VanDerWaalsContact O-N 3.16Å; E462-E465 PolarHBondContact O-N 3.16Å; E465-R468 PolarHBondContact O-N 3.41Å; E465-E469 WeakPolarHBondContact O-CB 3.41Å; E465-E469 PolarHBondContact O-N 3.16Å
466	Y	55.5	Low	59	Low	153 Å²	153	117.8 Å²	117.8	60%	0.6	58%	0.579	S	S	*	*	H	α-helix	trans	-61.8	-43.9	173.3	-174.7	-105.8	0	0	0	112.3	E462 L463 R468 E469 V470	E462-Y466 WeakPolarHBondContact O-CB 3.44Å; E462-Y466 PolarHBondContact O-N 3.33Å; L463-Y466 PolarHBondContact O-N 3.15Å; Y466-R468 PolarHBondContact O-N 3.29Å; Y466-E469 PolarHBondContact O-N 3.02Å; Y466-V470 HydrophobicContact CD1-CG2 4.3Å; Y466-V470 HydrophobicContact CE1-CG2 3.95Å; Y466-V470 HydrophobicContact CE2-CG2 4.32Å; Y466-V470 WeakPolarHBondContact O-CG2 3.48Å; Y466-V470 PolarHBondContact O-N 2.91Å
467	C	62.5	Low	58.2	Low	78 Å²	78	114.9 Å²	114.9	53%	0.527	58%	0.582	S	S	.	*	H	α-helix	trans	-61.6	-41.4	174.1	-74.8	0	0	0	0	112.3	L463 E464 V470 E471	L463-C467 WeakPolarHBondContact O-CB 3.43Å; L463-C467 PolarHBondContact O-N 3.49Å; L463-C467 PolarHBondContact O-SG 2.89Å; L463-C467 VanDerWaalsContact O-SG 3.37Å; E464-C467 PolarHBondContact O-N 2.92Å; C467-V470 PolarHBondContact O-N 3.48Å; C467-E471 PolarHBondContact O-N 2.9Å
468	R	68.1	Low	57.2	Low	114 Å²	114	114.6 Å²	114.6	43%	0.43	58%	0.584	S	S	.	*	H	α-helix	trans	-64.9	-37.9	174.3	-80.8	179.4	-102.6	131	-6.8	112.3	E464 E465 Y466 Q472	E464-R468 WeakPolarHBondContact O-CB 3.43Å; E464-R468 WeakPolarHBondContact O-CG 3.38Å; E464-R468 PolarHBondContact O-N 2.99Å; E464-R468 PolarHBondContact O-NE 3.38Å; E464-R468 IonicContact OE2-CZ 2.57Å; E464-R468 IonicContact OE2-NH2 3.59Å; E464-R468 PolarHBondContact OE2-NH2 3.43Å; E465-R468 PolarHBondContact O-N 3.41Å; Y466-R468 PolarHBondContact O-N 3.29Å; R468-Q472 WeakPolarHBondContact O-CB 3.45Å; R468-Q472 VanDerWaalsContact O-CG 3.31Å; R468-Q472 WeakPolarHBondContact O-CG 3.44Å; R468-Q472 PolarHBondContact O-N 2.97Å
469	E	67.8	Low	56.1	Low	91 Å²	91	116.2 Å²	116.2	43%	0.425	60%	0.597	S	S	.	*	H	α-helix	trans	-66.8	-41.8	175.5	-163.8	-169.5	162.1	0	0	111.7	E465 Y466 Q472 K473	E465-E469 WeakPolarHBondContact O-CB 3.41Å; E465-E469 PolarHBondContact O-N 3.16Å; Y466-E469 PolarHBondContact O-N 3.02Å; E469-Q472 PolarHBondContact O-N 2.84Å; E469-K473 HydrophobicContact CG-CD 4.43Å; E469-K473 WeakPolarHBondContact O-CB 3.42Å; E469-K473 WeakPolarHBondContact O-CG 3.35Å; E469-K473 PolarHBondContact O-N 2.97Å; E469-K473 WeakPolarHBondContact OE1-CE 3.35Å; E469-K473 IonicContact OE1-NZ 2.7Å; E469-K473 PolarHBondContact OE1-NZ 3.25Å
470	V	67.3	Low	54.6	Low	48 Å²	48	121 Å²	121	29%	0.291	61%	0.613	S	S	.	*	H	α-helix	trans	-66.4	-43.3	176	172	0	0	0	0	111.3	Y466 C467 Q472 K473 Q474	Y466-V470 HydrophobicContact CD1-CG2 4.3Å; Y466-V470 HydrophobicContact CE1-CG2 3.95Å; Y466-V470 HydrophobicContact CE2-CG2 4.32Å; Y466-V470 WeakPolarHBondContact O-CG2 3.48Å; Y466-V470 PolarHBondContact O-N 2.91Å; C467-V470 PolarHBondContact O-N 3.48Å; V470-Q472 PolarHBondContact O-N 3.45Å; V470-K473 PolarHBondContact O-N 2.84Å; V470-Q474 WeakPolarHBondContact O-CG 3.46Å; V470-Q474 PolarHBondContact O-N 2.94Å
471	E	63.1	Low	53.4	Low	105 Å²	105	122.3 Å²	122.3	49%	0.491	62%	0.616	S	S	.	*	H	α-helix	trans	-62.1	-41.1	173.9	-80.2	-140.9	129.3	0	0	112.6	C467 K473 Q474 K475	C467-E471 PolarHBondContact O-N 2.9Å; E471-K473 VanDerWaalsContact C-N 3.35Å; E471-Q474 PolarHBondContact O-N 3.41Å; E471-K475 WeakPolarHBondContact O-CB 3.31Å; E471-K475 PolarHBondContact O-N 2.95Å; E471-K475 IonicContact OE1-NZ 2.84Å; E471-K475 PolarHBondContact OE1-NZ 3.25Å; E471-K475 IonicContact OE2-NZ 3.9Å; E471-K475 PolarHBondContact OE2-NZ 3.47Å
472	Q	56.3	Low	52.3	Low	151 Å²	151	123.7 Å²	123.7	71%	0.706	62%	0.622	S	S	*	*	H	α-helix	trans	-65.3	-37.7	175.9	-76.6	-178.3	10.1	0	0	111.9	R468 E469 V470	R468-Q472 WeakPolarHBondContact O-CB 3.45Å; R468-Q472 VanDerWaalsContact O-CG 3.31Å; R468-Q472 WeakPolarHBondContact O-CG 3.44Å; R468-Q472 PolarHBondContact O-N 2.97Å; E469-Q472 PolarHBondContact O-N 2.84Å; V470-Q472 PolarHBondContact O-N 3.45Å
473	K	62.8	Low	50.9	Low	145 Å²	145	127.8 Å²	127.8	63%	0.63	64%	0.638	S	S	*	*	H	α-helix	trans	-69.1	-33	174	-74.6	173.4	-178.9	173.1	0	113	E469 V470 E471	E469-K473 HydrophobicContact CG-CD 4.43Å; E469-K473 WeakPolarHBondContact O-CB 3.42Å; E469-K473 WeakPolarHBondContact O-CG 3.35Å; E469-K473 PolarHBondContact O-N 2.97Å; E469-K473 WeakPolarHBondContact OE1-CE 3.35Å; E469-K473 IonicContact OE1-NZ 2.7Å; E469-K473 PolarHBondContact OE1-NZ 3.25Å; V470-K473 PolarHBondContact O-N 2.84Å; E471-K473 VanDerWaalsContact C-N 3.35Å
474	Q	64	Low	49.4	Very low	158 Å²	158	130.4 Å²	130.4	74%	0.738	65%	0.653	S	S	*	*	H	α-helix	trans	-79.3	-29.2	176.9	-72.7	-174.6	7.1	0	0	113.8	V470 E471 G476	V470-Q474 WeakPolarHBondContact O-CG 3.46Å; V470-Q474 PolarHBondContact O-N 2.94Å; E471-Q474 PolarHBondContact O-N 3.41Å; Q474-G476 PolarHBondContact O-N 3.12Å
475	K	56	Low	47.7	Very low	155 Å²	155	130.3 Å²	130.3	67%	0.674	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	13.5	-179.5	-74.1	169.9	-172.8	155	0	115	E471	E471-K475 WeakPolarHBondContact O-CB 3.31Å; E471-K475 PolarHBondContact O-N 2.95Å; E471-K475 IonicContact OE1-NZ 2.84Å; E471-K475 PolarHBondContact OE1-NZ 3.25Å; E471-K475 IonicContact OE2-NZ 3.9Å; E471-K475 PolarHBondContact OE2-NZ 3.47Å
476	G	40.8	Very low	46.1	Very low	59 Å²	59	131.7 Å²	131.7	61%	0.608	67%	0.674	S	S	*	*			trans	107.7	125.1	156.6	0	0	0	0	0	115.4	Q474	Q474-G476 PolarHBondContact O-N 3.12Å
477	G	34	Very low	44.8	Very low	79 Å²	79	134.1 Å²	134.1	81%	0.814	69%	0.688	S	S	*	*			trans	-113.9	60.3	177.8	0	0	0	0	0	113.9
478	E	32.4	Very low	43.2	Very low	195 Å²	195	133.6 Å²	133.6	91%	0.911	70%	0.695	S	S	*	*			trans	-119	108	158	-76.8	-155.8	155.4	0	0	110.3
479	V	32.7	Very low	41.4	Very low	133 Å²	133	133.7 Å²	133.7	81%	0.806	71%	0.714	S	S	*	*			trans	-96.9	97.3	171.3	179.5	0	0	0	0	109
480	Q	28.6	Very low	39.7	Very low	187 Å²	187	136.6 Å²	136.6	87%	0.874	73%	0.731	S	S	*	*			trans	-117.7	135.6	152.2	-144.4	77.1	73	0	0	108.9
481	Q	32.5	Very low	38	Very low	160 Å²	160	139.5 Å²	139.5	75%	0.748	75%	0.753	S	S	*	*			trans	-77.7	134.5	-170.5	-56.5	165.5	0.6	0	0	111.2
482	Q	29.7	Very low	36.4	Very low	172 Å²	172	140 Å²	140	80%	0.804	77%	0.768	S	S	*	*				171.7	126.8	113.5	-90.9	170.9	37	0	0	115.8
483	K	29.1	Very low	35	Very low	183 Å²	183	137.3 Å²	137.3	80%	0.796	77%	0.771	S	S	*	*			trans	44.2	129.8	138.5	-76.8	-176.7	175.9	175.6	0	123.5
484	N	27.4	Very low	34.2	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	78%	0.783	S	S	*	*			trans	86.5	82.8	135.6	-63.4	6.5	0	0	0	121.8
485	S	26.4	Very low	32.6	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	79%	0.786	S	S	*	*				27.6	131.7	117.2	-171.2	0	0	0	0	121.7
486	I	30.6	Very low	32.2	Very low	148 Å²	148	135.7 Å²	135.7	76%	0.759	79%	0.791	S	S	*	*				-177.1	130.4	121.6	-96.4	157.1	0	0	0	113.7
487	K	29.3	Very low	31.6	Very low	205 Å²	205	141.4 Å²	141.4	89%	0.891	80%	0.801	S	S	*	*			trans	35.8	141.5	155	-57.6	173.6	-178.6	179.1	0	121.4
488	G	27.7	Very low	32.4	Very low	66 Å²	66	142.9 Å²	142.9	68%	0.68	80%	0.797	S	S	*	*			cis	151	168.9	11.6	0	0	0	0	0	113.3
489	S	31.3	Very low	32.3	Very low	117 Å²	117	142.5 Å²	142.5	82%	0.818	80%	0.795	S	S	*	*			trans	81.5	152.7	161	-57.6	0	0	0	0	121.3
490	I	30.8	Very low	32.1	Very low	152 Å²	152	140.6 Å²	140.6	78%	0.779	79%	0.793	S	S	*	*			cis	-169.4	154.8	-11.6	-103.5	164.8	0	0	0	112.1
491	S	31.6	Very low	32	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	79%	0.789	S	S	*	*			trans	74.8	171.8	162.4	-141.1	0	0	0	0	119.7
492	S	29.5	Very low	32.6	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	79%	0.789	S	S	*	*			cis	-154.7	176.9	11	-74.3	0	0	0	0	114.4
493	A	27.7	Very low	32.5	Very low	95 Å²	95	132.1 Å²	132.1	79%	0.785	79%	0.794	S	S	*	*			trans	-159.5	-172.8	173	0	0	0	0	0	111.3
494	P	47	Very low	32.4	Very low	133 Å²	133	127 Å²	127	86%	0.864	79%	0.793	S	S	*	*			cis	-139.4	-106	4	40.9	-15.6	0	0	0	118.1
495	E	29.3	Very low	32.4	Very low	174 Å²	174	129.4 Å²	129.4	81%	0.813	80%	0.8	S	S	*	*			trans	-139.4	-178.1	-158.8	-128	172.3	-138.1	0	0	112.8
496	P	47.1	Very low	32.2	Very low	118 Å²	118	129.2 Å²	129.2	77%	0.766	79%	0.794	S	S	*	*				-157.8	-165.2	53.8	44.8	-20.3	0	0	0	120
497	E	29.6	Very low	32	Very low	179 Å²	179	128.1 Å²	128.1	84%	0.836	80%	0.795	S	S	*	*			trans	-119	-150.5	175.8	-58.8	-160.8	126	0	0	113.5
498	P	50.8	Low	31.8	Very low	110 Å²	110	125.7 Å²	125.7	71%	0.714	79%	0.791	S	S	*	*			cis	-146.6	-165.4	-8.6	42.6	-19.1	0	0	0	119.2
499	E	29.4	Very low	31.7	Very low	187 Å²	187	127.3 Å²	127.3	87%	0.874	79%	0.791	S	S	*	*			trans	112.7	144.7	138.5	-123.1	-169.5	-130.4	0	0	127.2
500	A	28.1	Very low	31.4	Very low	93 Å²	93	127.9 Å²	127.9	77%	0.769	79%	0.79	S	S	*	*			trans	94.4	145.2	143.6	0	0	0	0	0	125.7
501	A	26.8	Very low	31	Very low	95 Å²	95	125.6 Å²	125.6	79%	0.785	79%	0.787	S	S	*	*			trans	-169.1	-163	178.8	0	0	0	0	0	109.9
502	P	46.1	Very low	30.7	Very low	117 Å²	117	128.5 Å²	128.5	76%	0.76	79%	0.794	S	S	*	*			cis	-135.2	-165.6	-17.7	44.7	-26.7	0	0	0	113.9
503	S	27	Very low	30.4	Very low	128 Å²	128	131.9 Å²	131.9	90%	0.895	80%	0.796	S	S	*	*			trans	163.7	139	139.9	-75.1	0	0	0	0	117.5
504	G	27.4	Very low	31.2	Very low	76 Å²	76	132 Å²	132	78%	0.784	79%	0.79	S	S	*	*			trans	-163.4	157.2	177.6	0	0	0	0	0	116.4
505	Q	26.5	Very low	30.2	Very low	191 Å²	191	132.6 Å²	132.6	89%	0.893	79%	0.791	S	S	*	*			trans	-164.1	160.3	-158.8	-90.9	-173.9	6	0	0	111.9
506	T	23.5	Very low	29.9	Very low	107 Å²	107	131.3 Å²	131.3	66%	0.656	79%	0.79	S	S	*	*			cis	-165.5	172.1	-27.4	-20.4	0	0	0	0	110.6
507	T	25.1	Very low	28.9	Very low	125 Å²	125	131.3 Å²	131.3	77%	0.767	79%	0.792	S	S	*	*			trans	69.6	152.8	159	48.5	0	0	0	0	120
508	L	25.2	Very low	28.7	Very low	154 Å²	154	127.9 Å²	127.9	81%	0.806	79%	0.788	S	S	*	*			cis	-153.9	168.9	8.8	-126.6	160.8	0	0	0	113.4
509	S	26.2	Very low	27.5	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	79%	0.785	S	S	*	*			trans	-62.7	-178.6	-174.8	-47.7	0	0	0	0	117.4
510	T	24.1	Very low	27.4	Very low	129 Å²	129	125.3 Å²	125.3	79%	0.791	78%	0.781	S	S	*	*			cis	-171.5	122.2	38.4	-35.8	0	0	0	0	110.2
511	S	23	Very low	27.3	Very low	104 Å²	104	129.2 Å²	129.2	73%	0.727	78%	0.783	S	S	*	*				84.4	150.1	89.9	-152.9	0	0	0	0	120.1
512	L	24.7	Very low	27.3	Very low	170 Å²	170	132 Å²	132	89%	0.89	78%	0.78	S	S	*	*			trans	103.2	143.8	161.3	-57.3	-179.1	0	0	0	122.3
513	H	24.8	Very low	26.4	Very low	185 Å²	185	130.6 Å²	130.6	86%	0.856	78%	0.779	S	S	*	*			trans	-120.1	-170.6	-175.7	-105.8	-73.4	0	0	0	108.7
514	P	44.6	Very low	26.4	Very low	99 Å²	99	132.5 Å²	132.5	64%	0.643	77%	0.773	S	S	*	*			cis	-131.9	-169.6	-38.8	40.1	-23.4	0	0	0	111.9
515	T	24.6	Very low	27.2	Very low	144 Å²	144	134 Å²	134	88%	0.883	77%	0.769	S	S	*	*			trans	-174.4	166.1	137.6	14.6	0	0	0	0	113.6
516	D	23.5	Very low	28	Very low	148 Å²	148	130.4 Å²	130.4	79%	0.791	76%	0.762	S	S	*	*			trans	-113.6	176.2	-166.3	-68	-74.2	0	0	0	115.9
517	S	26.1	Very low	28.3	Very low	117 Å²	117	129.4 Å²	129.4	82%	0.818	77%	0.765	S	S	*	*			trans	75.4	164.4	157.7	81.7	0	0	0	0	117.6
518	S	25.4	Very low	28.5	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	77%	0.766	S	S	*	*			cis	-174.2	177.9	-33.5	64.4	0	0	0	0	107.6
519	S	26.3	Very low	28.7	Very low	95 Å²	95	126.1 Å²	126.1	66%	0.664	76%	0.76	S	S	*	*			cis	-166.8	168.3	-1	-140.9	0	0	0	0	110.7
520	L	27	Very low	28.8	Very low	148 Å²	148	130.7 Å²	130.7	78%	0.775	77%	0.77	S	S	*	*			trans	64.5	165.7	160	-61.5	165.5	0	0	0	117
521	E	26.3	Very low	28.8	Very low	175 Å²	175	127.9 Å²	127.9	82%	0.818	77%	0.767	S	S	*	*			cis	-138.3	-143	11.2	-153.8	146.2	87.9	0	0	113.1
522	E	25.9	Very low	29.7	Very low	153 Å²	153	129.1 Å²	129.1	72%	0.715	77%	0.773	S	S	*	*			trans	-145.7	-154	-165.2	-142.9	-112.6	85.6	0	0	115	Q524	E522-Q524 VanDerWaalsContact OE1-CG 3.31Å; E522-Q524 WeakPolarHBondContact OE1-CG 3.35Å
523	A	26.3	Very low	30.5	Very low	89 Å²	89	127 Å²	127	74%	0.736	77%	0.769	S	S	*	*			trans	101.7	70.6	161.2	0	0	0	0	0	123
524	Q	28.1	Very low	30.8	Very low	167 Å²	167	122.5 Å²	122.5	78%	0.78	76%	0.764	S	S	*	*				60.5	162.1	116.5	-67.3	-154.4	4.6	0	0	127.1	E522	E522-Q524 VanDerWaalsContact OE1-CG 3.31Å; E522-Q524 WeakPolarHBondContact OE1-CG 3.35Å
525	P	43.6	Very low	30.6	Very low	108 Å²	108	123.8 Å²	123.8	70%	0.701	77%	0.773	S	S	*	*			trans	-116.6	-158	-161.7	42.9	-26.8	0	0	0	114.5
526	P	43.3	Very low	30.7	Very low	115 Å²	115	126 Å²	126	75%	0.747	77%	0.773	S	S	*	*				-158.9	-177.7	80.7	43.3	-21.8	0	0	0	119.2
527	A	29.8	Very low	31.5	Very low	87 Å²	87	124.2 Å²	124.2	72%	0.719	77%	0.769	S	S	*	*			trans	66.2	128.6	154.4	0	0	0	0	0	120.4
528	S	29.3	Very low	31.7	Very low	113 Å²	113	126.5 Å²	126.5	79%	0.79	77%	0.772	S	S	*	*			cis	92.9	139.1	33.9	80.5	0	0	0	0	114.1
529	S	29.6	Very low	32	Very low	97 Å²	97	132.9 Å²	132.9	68%	0.678	78%	0.78	S	S	*	*			cis	-168	173.1	8.1	54	0	0	0	0	114.4
530	Q	28.1	Very low	32.1	Very low	194 Å²	194	132.4 Å²	132.4	91%	0.907	79%	0.79	S	S	*	*			trans	78	151	154.9	-72	170.6	2	0	0	122.8
531	G	24.3	Very low	32.1	Very low	70 Å²	70	129.2 Å²	129.2	72%	0.722	79%	0.793	S	S	*	*			trans	-145.2	-150.8	169.8	0	0	0	0	0	108.5
532	P	41.4	Very low	32.3	Very low	130 Å²	130	125.1 Å²	125.1	84%	0.844	79%	0.789	S	S	*	*			cis	-115.7	-117.7	-5.2	36.4	-13.7	0	0	0	108.8
533	P	42.1	Very low	32.4	Very low	125 Å²	125	125.1 Å²	125.1	81%	0.812	79%	0.794	S	S	*	*			cis	-121.2	-142.3	-15.3	43.2	-24.2	0	0	0	113.1
534	A	32.2	Very low	32.7	Very low	91 Å²	91	127.1 Å²	127.1	75%	0.752	80%	0.803	S	S	*	*			trans	-144.3	166.9	178.9	0	0	0	0	0	113
535	P	39.1	Very low	32.7	Very low	127 Å²	127	124.2 Å²	124.2	83%	0.825	81%	0.807	S	S	*	*			trans	-114.1	166.2	177.2	40.1	-31.1	0	0	0	115.6
536	Q	27.7	Very low	32.1	Very low	191 Å²	191	124.1 Å²	124.1	89%	0.893	82%	0.816	S	S	*	*			trans	-138.8	-178.7	168.6	-121.1	-141.1	5.9	0	0	110.6
537	P	40.5	Very low	31.3	Very low	110 Å²	110	125.1 Å²	125.1	71%	0.714	82%	0.819	S	S	*	*			trans	-84.3	166.2	-145.7	36.2	-39.9	0	0	0	116
538	D	30.3	Very low	31.3	Very low	164 Å²	164	128 Å²	128	88%	0.877	83%	0.828	S	S	*	*			trans	-116.4	159.7	-179.4	-155.1	-7.4	0	0	0	112.6
539	R	31.5	Very low	31.3	Very low	242 Å²	242	127.2 Å²	127.2	91%	0.913	83%	0.828	S	S	*	*			trans	-127.3	125.3	177.7	-86.7	-175.6	170.2	-173.4	-1.4	110.4
540	G	27.5	Very low	31.2	Very low	85 Å²	85	126.1 Å²	126.1	88%	0.876	83%	0.832	S	S	*	*			trans	-152.3	151.1	167.9	0	0	0	0	0	111.9
541	G	27	Very low	31.1	Very low	81 Å²	81	124.3 Å²	124.3	84%	0.835	83%	0.829	S	S	*	*			trans	-170.2	159.7	174.8	0	0	0	0	0	111.2
542	A	31.3	Very low	31.3	Very low	89 Å²	89	125.1 Å²	125.1	74%	0.736	83%	0.829	S	S	*	*			trans	-164.5	143.5	168.7	0	0	0	0	0	111.6
543	D	28.2	Very low	30.6	Very low	152 Å²	152	130.6 Å²	130.6	81%	0.813	83%	0.833	S	S	*	*			trans	40.8	118.9	141	-53.5	-16.2	0	0	0	121.8
544	S	31.6	Very low	29.9	Very low	132 Å²	132	130.5 Å²	130.5	92%	0.923	84%	0.835	S	S	*	*				-158.6	126	112.1	-81.1	0	0	0	0	110.9
545	A	28.2	Very low	29.7	Very low	106 Å²	106	131.1 Å²	131.1	88%	0.876	84%	0.84	S	S	*	*			trans	-121.8	140.7	173.8	0	0	0	0	0	110.1
546	A	30.5	Very low	29.1	Very low	106 Å²	106	128.9 Å²	128.9	88%	0.876	84%	0.84	S	S	*	*			trans	-131.2	128.7	173	0	0	0	0	0	109.3
547	T	27.3	Very low	29.4	Very low	135 Å²	135	127.4 Å²	127.4	83%	0.828	84%	0.838	S	S	*	*			trans	-108.4	143	-173.9	44	0	0	0	0	111.6
548	V	30.4	Very low	28.8	Very low	147 Å²	147	130.8 Å²	130.8	89%	0.891	85%	0.845	S	S	*	*			trans	-137	112.5	163.8	-179.1	0	0	0	0	108.6
549	A	29.3	Very low	29.3	Very low	97 Å²	97	129.6 Å²	129.6	80%	0.802	84%	0.843	S	S	*	*			trans	-89.7	154.7	153.4	0	0	0	0	0	107.7
550	G	26.6	Very low	29.1	Very low	74 Å²	74	125.8 Å²	125.8	76%	0.763	84%	0.84	S	S	*	*			cis	141.6	147.6	7	0	0	0	0	0	108.3
551	D	25.6	Very low	29.3	Very low	156 Å²	156	126.9 Å²	126.9	83%	0.834	83%	0.834	S	S	*	*			trans	-148.5	153.1	175.7	-158.7	-4.7	0	0	0	110.6
552	A	29.5	Very low	29.5	Very low	88 Å²	88	128.7 Å²	128.7	73%	0.727	83%	0.829	S	S	*	*			trans	-145.5	122.5	-171.5	0	0	0	0	0	111.9
553	R	26	Very low	29.9	Very low	244 Å²	244	130.4 Å²	130.4	92%	0.921	83%	0.833	S	S	*	*			trans	-135.9	160.7	166.8	-67.8	-166.4	176.1	-154.1	-3.7	110.4
554	S	28	Very low	30.6	Very low	123 Å²	123	127.5 Å²	127.5	86%	0.86	82%	0.817	S	S	*	*			trans	-126.5	169	-153.4	-170.3	0	0	0	0	113.7
555	A	27.4	Very low	31.3	Very low	105 Å²	105	124.5 Å²	124.5	87%	0.868	80%	0.796	S	S	*	*			trans	76	127.6	172	0	0	0	0	0	117.4
556	G	26.7	Very low	32.3	Very low	79 Å²	79	122.4 Å²	122.4	81%	0.814	77%	0.774	S	S	*	*			trans	154.9	81.8	-179	0	0	0	0	0	109.9
557	D	33.4	Very low	32.9	Very low	160 Å²	160	124.9 Å²	124.9	86%	0.856	77%	0.767	S	S	*	*			trans	-92.5	99.9	-175.3	-166.7	20.4	0	0	0	110.2
558	E	28.4	Very low	34.1	Very low	182 Å²	182	123.7 Å²	123.7	85%	0.85	75%	0.75	S	S	*	*			trans	-131.1	127.7	167.2	-76.6	-156.2	141.5	0	0	110.9	L560	E558-L560 PolarHBondContact O-N 2.89Å; E558-L560 VanDerWaalsContact O-N 3.09Å
559	V	40.5	Very low	35.3	Very low	138 Å²	138	120.8 Å²	120.8	84%	0.836	73%	0.727	S	S	*	*			trans	-79.1	93.7	-179.5	179.9	0	0	0	0	109.8
560	L	26.8	Very low	36.4	Very low	163 Å²	163	119.8 Å²	119.8	85%	0.853	70%	0.704	S	S	*	*			trans	-108.6	105.3	170.2	-164.2	72.1	0	0	0	110.6	E558 T562	E558-L560 PolarHBondContact O-N 2.89Å; E558-L560 VanDerWaalsContact O-N 3.09Å; L560-T562 PolarHBondContact O-N 3.29Å
561	S	31.8	Very low	37.6	Very low	107 Å²	107	122.2 Å²	122.2	75%	0.748	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-56.7	125.9	176.3	-57.8	0	0	0	0	111.3
562	T	32.8	Very low	38.9	Very low	119 Å²	119	117.4 Å²	117.4	73%	0.73	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-59.1	134.3	171.7	50.6	0	0	0	0	110.2	L560 D564	L560-T562 PolarHBondContact O-N 3.29Å; T562-D564 PolarHBondContact O-N 3.36Å
563	P	38.3	Very low	40	Very low	126 Å²	126	113.8 Å²	113.8	82%	0.818	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-62.1	129.1	172.5	27.3	-33.6	0	0	0	109.2
564	D	42.8	Very low	41.2	Very low	90 Å²	90	103.7 Å²	103.7	48%	0.481	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-65	142.7	-177.6	-103.5	-32.2	0	0	0	111.4	T562 K568	T562-D564 PolarHBondContact O-N 3.36Å; D564-K568 HydrophobicContact CB-CD 4.37Å; D564-K568 WeakPolarHBondContact OD1-CD 3.27Å; D564-K568 WeakPolarHBondContact OD1-CE 3.36Å; D564-K568 IonicContact OD1-NZ 3.08Å; D564-K568 PolarHBondContact OD1-NZ 3.24Å; D564-K568 IonicContact OD2-NZ 3.68Å; D564-K568 PolarHBondContact OD2-NZ 3.35Å
565	S	46.4	Very low	42.3	Very low	70 Å²	70	101.2 Å²	101.2	49%	0.49	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-75	136.2	-179.3	178.4	0	0	0	0	110.6	H567 K568	S565-H567 PolarHBondContact O-N 2.86Å; S565-K568 VanDerWaalsContact O-CB 3.29Å; S565-K568 WeakPolarHBondContact O-CB 3.49Å; S565-K568 PolarHBondContact O-N 3.07Å
566	P	49.6	Very low	43.6	Very low	62 Å²	62	103.7 Å²	103.7	40%	0.403	58%	0.577	S	S	.	*	H	α-helix	trans	-53.7	-27	177.6	-28.3	35.4	0	0	0	114.2	K568 E569 F570	P566-K568 VanDerWaalsContact C-N 3.25Å; P566-K568 PolarHBondContact O-N 3.12Å; P566-E569 PolarHBondContact O-N 3.16Å; P566-F570 WeakPolarHBondContact O-CB 3.5Å; P566-F570 PolarHBondContact O-N 3.04Å
567	H	44	Very low	44.7	Very low	158 Å²	158	101.5 Å²	101.5	73%	0.731	55%	0.551	S	S	*	*	H	α-helix	trans	-60.8	-31.8	174.1	-111.7	-75.6	0	0	0	113.5	S565 H571	S565-H567 PolarHBondContact O-N 2.86Å; H567-H571 VanDerWaalsContact O-CB 3.23Å; H567-H571 WeakPolarHBondContact O-CB 3.35Å; H567-H571 PolarHBondContact O-N 3.41Å; H567-H571 VanDerWaalsContact O-N 3.08Å
568	K	51.8	Low	45.2	Very low	110 Å²	110	99.2 Å²	99.2	48%	0.478	54%	0.538	S	S	.	.	H	α-helix	trans	-78.1	-38.7	179.2	-171.2	-164.9	-179.2	-168.8	0	111.2	D564 S565 P566 S572	D564-K568 HydrophobicContact CB-CD 4.37Å; D564-K568 WeakPolarHBondContact OD1-CD 3.27Å; D564-K568 WeakPolarHBondContact OD1-CE 3.36Å; D564-K568 IonicContact OD1-NZ 3.08Å; D564-K568 PolarHBondContact OD1-NZ 3.24Å; D564-K568 IonicContact OD2-NZ 3.68Å; D564-K568 PolarHBondContact OD2-NZ 3.35Å; S565-K568 VanDerWaalsContact O-CB 3.29Å; S565-K568 WeakPolarHBondContact O-CB 3.49Å; S565-K568 PolarHBondContact O-N 3.07Å; P566-K568 VanDerWaalsContact C-N 3.25Å; P566-K568 PolarHBondContact O-N 3.12Å; K568-S572 WeakPolarHBondContact O-CB 3.39Å; K568-S572 PolarHBondContact O-N 3.03Å; K568-S572 PolarHBondContact O-OG 3.28Å
569	E	55.2	Low	46.1	Very low	85 Å²	85	96 Å²	96	40%	0.397	53%	0.531	S	S	.	.	H	α-helix	trans	-63.6	-51.9	174.1	-62	-178	142.8	0	0	110.3	P566 H571 S572 A573	P566-E569 PolarHBondContact O-N 3.16Å; E569-H571 PolarHBondContact O-N 2.98Å; E569-S572 WeakPolarHBondContact O-CB 3.25Å; E569-S572 PolarHBondContact O-N 2.77Å; E569-S572 VanDerWaalsContact O-N 3.1Å; E569-A573 PolarHBondContact O-N 2.65Å
570	F	52.3	Low	46	Very low	76 Å²	76	97.8 Å²	97.8	33%	0.333	53%	0.527	S	S	.	.	H	α-helix	trans	-58.3	-45	176.4	-176.9	-96.8	0	0	0	112.8	F67 L71 M74 L91 P566 S572 A573 V574	F67-F570 HydrophobicContact CE2-CE2 4.33Å; F67-F570 AromaticContact CZ-CE2 3.89Å; F67-F570 HydrophobicContact CZ-CE2 3.89Å; F67-F570 HydrophobicContact CZ-CZ 4.2Å; L71-F570 HydrophobicContact CD1-CD2 4.5Å; L71-F570 HydrophobicContact CD1-CE2 4.12Å; M74-F570 HydrophobicContact CE-CD2 4.33Å; L91-F570 HydrophobicContact CD2-CD2 4.48Å; L91-F570 HydrophobicContact CD2-CE2 4.48Å; P566-F570 WeakPolarHBondContact O-CB 3.5Å; P566-F570 PolarHBondContact O-N 3.04Å; F570-S572 VanDerWaalsContact C-N 3.3Å; F570-S572 PolarHBondContact O-N 2.77Å; F570-A573 PolarHBondContact O-N 2.87Å; F570-V574 HydrophobicContact CD1-CG2 4.37Å; F570-V574 HydrophobicContact CE1-CG2 4.01Å; F570-V574 HydrophobicContact CZ-CG2 4.18Å; F570-V574 WeakPolarHBondContact O-CG2 3.43Å; F570-V574 PolarHBondContact O-N 2.57Å
571	H	52.7	Low	46.3	Very low	125 Å²	125	94.8 Å²	94.8	58%	0.579	52%	0.52	S	S	*	.	H	α-helix	trans	-62.4	-38	176	-174.4	68.1	0	0	0	112.1	H567 E569 V574 V575	H567-H571 VanDerWaalsContact O-CB 3.23Å; H567-H571 WeakPolarHBondContact O-CB 3.35Å; H567-H571 PolarHBondContact O-N 3.41Å; H567-H571 VanDerWaalsContact O-N 3.08Å; E569-H571 PolarHBondContact O-N 2.98Å; H571-V574 PolarHBondContact O-N 3.25Å; H571-V575 WeakPolarHBondContact O-CG2 3.2Å; H571-V575 PolarHBondContact O-N 3.04Å
572	S	52.8	Low	46.4	Very low	56 Å²	56	95.4 Å²	95.4	39%	0.392	52%	0.521	S	S	.	.	H	α-helix	trans	-68	-38.1	177.3	-57.7	0	0	0	0	112.6	K568 E569 F570 V575 R576	K568-S572 WeakPolarHBondContact O-CB 3.39Å; K568-S572 PolarHBondContact O-N 3.03Å; K568-S572 PolarHBondContact O-OG 3.28Å; E569-S572 WeakPolarHBondContact O-CB 3.25Å; E569-S572 PolarHBondContact O-N 2.77Å; E569-S572 VanDerWaalsContact O-N 3.1Å; F570-S572 VanDerWaalsContact C-N 3.3Å; F570-S572 PolarHBondContact O-N 2.77Å; S572-V575 PolarHBondContact O-N 2.79Å; S572-R576 VanDerWaalsContact O-CB 3.26Å; S572-R576 WeakPolarHBondContact O-CB 3.28Å; S572-R576 PolarHBondContact O-N 3.02Å
573	A	52.3	Low	46.4	Very low	12 Å²	12	95.8 Å²	95.8	10%	0.099	53%	0.526	C	S	.	.	H	α-helix	trans	-63.2	-47.3	173.7	0	0	0	0	0	111.7	E70 E569 F570 V575 R576 A577	E70-A573 HydrophobicContact CG-CB 4.15Å; E70-A573 WeakPolarHBondContact OE2-CB 3.35Å; E569-A573 PolarHBondContact O-N 2.65Å; F570-A573 PolarHBondContact O-N 2.87Å; A573-V575 PolarHBondContact O-N 3.17Å; A573-R576 WeakPolarHBondContact O-CB 3.41Å; A573-R576 PolarHBondContact O-N 2.6Å; A573-R576 VanDerWaalsContact O-N 3.15Å; A573-A577 PolarHBondContact O-N 2.69Å
574	V	52.1	Low	45.9	Very low	31 Å²	31	94.5 Å²	94.5	19%	0.188	53%	0.526	C	S	.	.	H	α-helix	trans	-60.4	-42.8	176.4	172.8	0	0	0	0	111.8	F67 F570 H571 A577 L578	F67-V574 HydrophobicContact CE2-CG2 3.88Å; F67-V574 HydrophobicContact CZ-CG2 4.41Å; F570-V574 HydrophobicContact CD1-CG2 4.37Å; F570-V574 HydrophobicContact CE1-CG2 4.01Å; F570-V574 HydrophobicContact CZ-CG2 4.18Å; F570-V574 WeakPolarHBondContact O-CG2 3.43Å; F570-V574 PolarHBondContact O-N 2.57Å; H571-V574 PolarHBondContact O-N 3.25Å; V574-A577 PolarHBondContact O-N 3.32Å; V574-L578 HydrophobicContact CG1-CD1 4.14Å; V574-L578 WeakPolarHBondContact O-CG 3.42Å; V574-L578 PolarHBondContact O-N 2.85Å; V574-L578 VanDerWaalsContact O-N 3.13Å
575	V	51.2	Low	45.6	Very low	72 Å²	72	97 Å²	97	44%	0.436	54%	0.544	S	S	.	.	H	α-helix	trans	-65.6	-38.8	175.5	170.8	0	0	0	0	111.7	H571 S572 A573 L578 V579	H571-V575 WeakPolarHBondContact O-CG2 3.2Å; H571-V575 PolarHBondContact O-N 3.04Å; S572-V575 PolarHBondContact O-N 2.79Å; A573-V575 PolarHBondContact O-N 3.17Å; V575-L578 PolarHBondContact O-N 2.86Å; V575-V579 WeakPolarHBondContact O-CG2 3.35Å; V575-V579 PolarHBondContact O-N 3.08Å
576	R	53.9	Low	44.7	Very low	157 Å²	157	102.7 Å²	102.7	59%	0.592	56%	0.563	S	S	*	*	H	α-helix	trans	-64	-42.1	176.4	-178.8	-178.2	-66.7	155.2	0.2	112.1	E70 S572 A573 V579	E70-R576 IonicContact OE1-CZ 2.78Å; E70-R576 IonicContact OE1-NH1 2.74Å; E70-R576 PolarHBondContact OE1-NH1 2.91Å; S572-R576 VanDerWaalsContact O-CB 3.26Å; S572-R576 WeakPolarHBondContact O-CB 3.28Å; S572-R576 PolarHBondContact O-N 3.02Å; A573-R576 WeakPolarHBondContact O-CB 3.41Å; A573-R576 PolarHBondContact O-N 2.6Å; A573-R576 VanDerWaalsContact O-N 3.15Å; R576-V579 PolarHBondContact O-N 2.85Å
577	A	49.4	Very low	43.9	Very low	33 Å²	33	104.7 Å²	104.7	27%	0.273	58%	0.584	S	S	.	*	H	α-helix	trans	-64.1	-39.8	175.9	0	0	0	0	0	112.4	A573 V574 V579 K580	A573-A577 PolarHBondContact O-N 2.69Å; V574-A577 PolarHBondContact O-N 3.32Å; A577-V579 VanDerWaalsContact C-N 3.28Å; A577-V579 PolarHBondContact O-N 3.34Å; A577-K580 PolarHBondContact O-N 3.35Å
578	L	43.7	Very low	43.2	Very low	112 Å²	112	102.1 Å²	102.1	59%	0.586	59%	0.59	S	S	*	*	H	α-helix	trans	-67.3	-20.1	-179.7	-80.1	168.5	0	0	0	115.1	I61 V574 V575	I61-L578 HydrophobicContact CD1-CD2 4Å; I61-L578 HydrophobicContact CD1-CG 4.33Å; I61-L578 HydrophobicContact CG1-CD2 4.49Å; V574-L578 HydrophobicContact CG1-CD1 4.14Å; V574-L578 WeakPolarHBondContact O-CG 3.42Å; V574-L578 PolarHBondContact O-N 2.85Å; V574-L578 VanDerWaalsContact O-N 3.13Å; V575-L578 PolarHBondContact O-N 2.86Å
579	V	48	Very low	42.1	Very low	115 Å²	115	106.3 Å²	106.3	70%	0.697	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-13	-176.6	170.6	0	0	0	0	112.8	V575 R576 A577 S581	V575-V579 WeakPolarHBondContact O-CG2 3.35Å; V575-V579 PolarHBondContact O-N 3.08Å; R576-V579 PolarHBondContact O-N 2.85Å; A577-V579 VanDerWaalsContact C-N 3.28Å; A577-V579 PolarHBondContact O-N 3.34Å; V579-S581 PolarHBondContact O-N 2.91Å
580	K	39	Very low	40.7	Very low	174 Å²	174	106.3 Å²	106.3	76%	0.757	64%	0.635	S	S	*	*			trans	-94.7	80.6	-167.6	-160.9	177.5	-176.1	-176.7	0	113.4	A577	A577-K580 PolarHBondContact O-N 3.35Å
581	S	32.7	Very low	39.4	Very low	101 Å²	101	106.4 Å²	106.4	71%	0.706	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-58.8	145.9	166.7	-57.7	0	0	0	0	111.9	V579	V579-S581 PolarHBondContact O-N 2.91Å
582	P	33.6	Very low	38.1	Very low	120 Å²	120	112.2 Å²	112.2	78%	0.779	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-71.3	142.6	177.7	29.6	-34.7	0	0	0	111.7
583	P	33.1	Very low	36.8	Very low	127 Å²	127	114.2 Å²	114.2	83%	0.825	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-72.8	150.9	173.6	31.3	-34.5	0	0	0	111.6
584	A	28.1	Very low	35.6	Very low	99 Å²	99	118.2 Å²	118.2	82%	0.818	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-76.2	162.8	174.4	0	0	0	0	0	112.2
585	V	35.4	Very low	34.4	Very low	141 Å²	141	124.1 Å²	124.1	86%	0.855	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-81.4	128.1	178.5	-177.4	0	0	0	0	110.5
586	E	27.9	Very low	33.7	Very low	191 Å²	191	126.2 Å²	126.2	89%	0.893	77%	0.772	S	S	*	*			trans	-127.7	154.3	155.9	-75.1	-159	144.1	0	0	110.1
587	A	33	Very low	32.4	Very low	103 Å²	103	127.9 Å²	127.9	85%	0.851	79%	0.787	S	S	*	*			trans	-122.3	143.8	-179.1	0	0	0	0	0	110.4
588	A	28.7	Very low	31.4	Very low	104 Å²	104	134.1 Å²	134.1	86%	0.86	81%	0.81	S	S	*	*			trans	-145.5	148.9	174.2	0	0	0	0	0	110.7
589	E	28.6	Very low	30.6	Very low	199 Å²	199	136.6 Å²	136.6	93%	0.93	82%	0.819	S	S	*	*			trans	-87	163.9	-172.4	-63	178.1	105	0	0	113.5
590	G	26.4	Very low	29.6	Very low	85 Å²	85	137.7 Å²	137.7	88%	0.876	83%	0.825	S	S	*	*			trans	-82.3	173.4	-166.2	0	0	0	0	0	117.3
591	G	24.9	Very low	29	Very low	77 Å²	77	138 Å²	138	79%	0.794	83%	0.83	S	S	*	*			trans	-162.2	64.6	-172.2	0	0	0	0	0	117.7
592	R	25.1	Very low	28.8	Very low	247 Å²	247	138 Å²	138	93%	0.932	84%	0.836	S	S	*	*			trans	55.9	125.1	142.5	-126.1	-178.8	-173.6	177.7	1.5	122.7
593	A	26.5	Very low	28.6	Very low	99 Å²	99	141.5 Å²	141.5	82%	0.818	84%	0.842	S	S	*	*			trans	71.1	158.5	146.2	0	0	0	0	0	118.7
594	A	26.2	Very low	28.4	Very low	96 Å²	96	143.4 Å²	143.4	79%	0.793	85%	0.845	S	S	*	*			cis	-144.5	168.3	6.8	0	0	0	0	0	113.2
595	D	28	Very low	28.5	Very low	154 Å²	154	145.5 Å²	145.5	82%	0.824	84%	0.842	S	S	*	*			trans	-68.2	167.1	166.4	-101.6	-43.5	0	0	0	112.7
596	P	36.5	Very low	28.2	Very low	116 Å²	116	144.2 Å²	144.2	75%	0.753	83%	0.831	S	S	*	*				-144.5	122.3	113.2	35.5	-20.3	0	0	0	116.3
597	E	26.8	Very low	28.3	Very low	193 Å²	193	143.2 Å²	143.2	90%	0.902	82%	0.823	S	S	*	*			trans	46.3	176.8	130.6	-60.9	-169.4	128.9	0	0	121.9
598	Q	27.6	Very low	28.3	Very low	164 Å²	164	145 Å²	145	77%	0.766	82%	0.819	S	S	*	*			trans	-150.5	175.3	-145.1	-156.9	-173.4	30	0	0	112.1
599	Q	26.7	Very low	29.1	Very low	163 Å²	163	143.7 Å²	143.7	76%	0.762	80%	0.802	S	S	*	*			trans	79.2	154.6	169.3	-55.6	162.7	28.1	0	0	113.2
600	V	27	Very low	29.2	Very low	139 Å²	139	144.5 Å²	144.5	84%	0.842	80%	0.796	S	S	*	*			cis	-130.9	160.2	28.6	178.7	0	0	0	0	113
601	E	27.3	Very low	29.9	Very low	180 Å²	180	146.3 Å²	146.3	84%	0.841	79%	0.793	S	S	*	*			trans	-85.4	163.9	-175.3	-54.9	160.7	143.4	0	0	114.4
602	A	27.2	Very low	30.4	Very low	102 Å²	102	149.2 Å²	149.2	84%	0.843	80%	0.795	S	S	*	*			trans	-160.5	145.4	142.6	0	0	0	0	0	109.7
603	E	30.2	Very low	30.5	Very low	192 Å²	192	143.1 Å²	143.1	90%	0.897	79%	0.79	S	S	*	*			trans	-97	161.2	-172	-55.9	172.7	125.5	0	0	112.8
604	D	28.6	Very low	30.6	Very low	167 Å²	167	144.6 Å²	144.6	89%	0.893	79%	0.789	S	S	*	*				-159.3	165.9	117.4	-137.8	-30.6	0	0	0	111.6
605	D	29.5	Very low	31.7	Very low	143 Å²	143	145.8 Å²	145.8	77%	0.765	79%	0.789	S	S	*	*			trans	-79.1	153.3	-160.4	-127.9	-29.1	0	0	0	116.5
606	D	29.8	Very low	32.1	Very low	114 Å²	114	144 Å²	144	61%	0.61	79%	0.785	S	S	*	*				171.9	135	97.4	-165.3	17.3	0	0	0	114.4
607	K	30.5	Very low	31.7	Very low	170 Å²	170	143.8 Å²	143.8	74%	0.739	79%	0.787	S	S	*	*			trans	67.7	113.6	164.6	-83	153.7	-164.1	73.1	0	121
608	D	31.6	Very low	32.1	Very low	140 Å²	140	141 Å²	141	75%	0.749	78%	0.784	S	S	*	*			trans	-112.2	-156.7	178.8	-158.5	29.3	0	0	0	110.2
609	P	46.1	Very low	32.9	Very low	78 Å²	78	138.6 Å²	138.6	51%	0.506	78%	0.782	S	S	.	*				-140.6	178.7	-107.5	46.2	-29.5	0	0	0	119.1
610	R	30.6	Very low	33	Very low	216 Å²	216	137.7 Å²	137.7	82%	0.815	79%	0.787	S	S	*	*			trans	62.4	-173.9	141.8	-86.5	177.3	-86.8	-159.6	-4	116
611	P	41.2	Very low	33.2	Very low	123 Å²	123	140.7 Å²	140.7	80%	0.799	78%	0.783	S	S	*	*			cis	-124.7	-179.4	-5.7	32.9	-12.2	0	0	0	116.5
612	T	34.8	Very low	33.3	Very low	138 Å²	138	136 Å²	136	85%	0.847	78%	0.775	S	S	*	*			trans	-86.8	149.5	175.2	49.1	0	0	0	0	114.4
613	S	28.6	Very low	33.5	Very low	119 Å²	119	136.9 Å²	136.9	83%	0.832	76%	0.762	S	S	*	*			trans	-168.3	159.2	152.7	-162.4	0	0	0	0	113.8
614	T	27.6	Very low	33.7	Very low	129 Å²	129	136.8 Å²	136.8	79%	0.791	76%	0.762	S	S	*	*			trans	-158	161.8	173.3	19.8	0	0	0	0	111
615	P	48.5	Very low	33.7	Very low	121 Å²	121	132.2 Å²	132.2	79%	0.786	75%	0.754	S	S	*	*			cis	-102.6	-101.5	-8.1	24.6	-2.9	0	0	0	112.2
616	P	37.7	Very low	33.9	Very low	116 Å²	116	133.4 Å²	133.4	75%	0.753	76%	0.761	S	S	*	*			cis	-125.2	-158.6	2.7	44.2	-26.7	0	0	0	115.6
617	S	28.8	Very low	33.9	Very low	113 Å²	113	131.6 Å²	131.6	79%	0.79	77%	0.769	S	S	*	*			trans	-50.1	153.5	-175.5	-47.7	0	0	0	0	121.9
618	T	34.1	Very low	34.1	Very low	135 Å²	135	131.3 Å²	131.3	83%	0.828	78%	0.775	S	S	*	*			trans	-62.6	169.6	155.4	24.3	0	0	0	0	113.1
619	P	44.2	Very low	34.1	Very low	113 Å²	113	130.5 Å²	130.5	73%	0.734	78%	0.775	S	S	*	*			cis	-148.8	-157.1	36.5	38.3	-12.9	0	0	0	117.5
620	V	29.5	Very low	33.7	Very low	143 Å²	143	135.7 Å²	135.7	87%	0.867	79%	0.79	S	S	*	*			trans	104.4	153.2	163.5	-170.4	0	0	0	0	117.1
621	R	30	Very low	33.9	Very low	202 Å²	202	133.5 Å²	133.5	76%	0.762	79%	0.789	S	S	*	*			trans	-127.8	149.8	-159.9	142.7	-170.6	170.7	-177.5	1.4	112.2	E623	R621-E623 IonicContact CZ-OE1 2.75Å; R621-E623 IonicContact NE-OE1 2.61Å; R621-E623 PolarHBondContact NE-OE1 3.24Å; R621-E623 IonicContact NH2-OE1 3.69Å; R621-E623 PolarHBondContact NH2-OE1 3.3Å; R621-E623 IonicContact NH2-OE2 3.09Å
622	A	30.8	Very low	33.9	Very low	82 Å²	82	137.9 Å²	137.9	68%	0.678	79%	0.791	S	S	*	*			trans	-153.7	135.1	145.1	0	0	0	0	0	108
623	E	32	Very low	34	Very low	120 Å²	120	138.4 Å²	138.4	56%	0.561	79%	0.788	S	S	*	*				49.8	134.9	95.3	-38.2	-42.6	130.9	0	0	113.8	R621	R621-E623 IonicContact CZ-OE1 2.75Å; R621-E623 IonicContact NE-OE1 2.61Å; R621-E623 PolarHBondContact NE-OE1 3.24Å; R621-E623 IonicContact NH2-OE1 3.69Å; R621-E623 PolarHBondContact NH2-OE1 3.3Å; R621-E623 IonicContact NH2-OE2 3.09Å
624	E	32.7	Very low	34.3	Very low	190 Å²	190	140.4 Å²	140.4	89%	0.888	79%	0.788	S	S	*	*			cis	-162.3	164.5	5	-138.4	174.5	175.7	0	0	108.7
625	G	29.9	Very low	35.6	Very low	72 Å²	72	143.4 Å²	143.4	74%	0.742	81%	0.81	S	S	*	*			trans	156.6	93.7	169.6	0	0	0	0	0	119.5
626	D	32.5	Very low	35	Very low	168 Å²	168	144.5 Å²	144.5	90%	0.898	81%	0.811	S	S	*	*			trans	17.9	99.3	156.7	-67	-25.6	0	0	0	121.7
627	G	30.4	Very low	34.8	Very low	75 Å²	75	146 Å²	146	77%	0.773	81%	0.814	S	S	*	*				61.9	115.6	95.9	0	0	0	0	0	121.1
628	N	34.4	Very low	35.2	Very low	164 Å²	164	147.8 Å²	147.8	88%	0.877	82%	0.816	S	S	*	*				-153.1	148.1	112	-142.7	-24.7	0	0	0	111.8
629	T	32.8	Very low	35.2	Very low	123 Å²	123	148.6 Å²	148.6	76%	0.755	82%	0.815	S	S	*	*			trans	-102	149.2	-178.7	48.5	0	0	0	0	112.4
630	K	37.5	Very low	34.7	Very low	187 Å²	187	150.8 Å²	150.8	81%	0.813	82%	0.82	S	S	*	*			trans	-164	100.6	149.9	-114.4	164.5	-172.4	175.4	0	111.8
631	E	34.3	Very low	35	Very low	170 Å²	170	151.3 Å²	151.3	79%	0.794	82%	0.817	S	S	*	*			trans	-69.3	150.3	157.8	-56.6	169.2	119.1	0	0	109.3
632	Y	40.7	Very low	35.4	Very low	216 Å²	216	147.7 Å²	147.7	85%	0.847	82%	0.821	S	S	*	*			trans	-145.3	138.2	145.9	-96.1	-72.1	0	0	0	109.4
633	L	38	Very low	35.7	Very low	148 Å²	148	152.8 Å²	152.8	78%	0.775	83%	0.832	S	S	*	*			trans	-78.3	159.4	-176.9	-79.5	72.4	0	0	0	112
634	L	33.7	Very low	36.1	Very low	161 Å²	161	155.5 Å²	155.5	84%	0.843	85%	0.854	S	S	*	*			trans	-56.8	155.7	156.9	-68.9	163.2	0	0	0	111.6
635	P	56	Low	36.4	Very low	192 Å²	192	152.4 Å²	152.4	100%	1.247	85%	0.851	S	S	*	*				-99.5	0	119	31.3	-33.7	0	0	0	111.7

Retrieved 635 of 635 residues in 644.7 ms (Link to these results)

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