G4VH46_SCHMA Loading...

Small ribosomal subunit protein uS5

AlphaFold DB , UniProt , Accession G4VH46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 261 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.7	Very low	37.4	Very low	239 Å²	239	135.7 Å²	135.7	100%	1.177	88%	0.877	S	S	*	*				0	109.6	0	-82.5	157.8	162	0	0	106.2
2	D	40.4	Very low	37.4	Very low	149 Å²	149	145.3 Å²	145.3	80%	0.797	88%	0.882	S	S	*	*			trans	55.5	102.2	177.3	-53.6	-42.2	0	0	0	118.9
3	S	38.4	Very low	37.5	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	88%	0.879	S	S	*	*				68.1	123	60.9	-58.8	0	0	0	0	111.7
4	S	40.2	Very low	37.5	Very low	118 Å²	118	136.8 Å²	136.8	83%	0.825	86%	0.861	S	S	*	*			cis	-169.4	151.9	18.8	-78.8	0	0	0	0	112.1
5	G	38.6	Very low	37.2	Very low	80 Å²	80	141.3 Å²	141.3	83%	0.825	86%	0.864	S	S	*	*			trans	78	117.3	145.7	0	0	0	0	0	118.7
6	G	35.4	Very low	37.2	Very low	88 Å²	88	137.4 Å²	137.4	91%	0.907	86%	0.861	S	S	*	*			cis	93.8	111.9	14.5	0	0	0	0	0	113.1
7	G	35.4	Very low	37	Very low	83 Å²	83	135.1 Å²	135.1	86%	0.856	86%	0.858	S	S	*	*			trans	130.9	97.1	150.6	0	0	0	0	0	118.8
8	R	32.8	Very low	36.8	Very low	261 Å²	261	141.9 Å²	141.9	99%	0.985	86%	0.864	S	S	*	*			trans	-79.2	133.7	155.3	-78	176.5	171.4	176.4	-2.7	109.3
9	G	37.2	Very low	36.7	Very low	77 Å²	77	138.6 Å²	138.6	79%	0.794	86%	0.862	S	S	*	*			trans	-177.2	119.6	169.1	0	0	0	0	0	111.2
10	G	33.3	Very low	36.5	Very low	76 Å²	76	144.9 Å²	144.9	78%	0.784	87%	0.868	S	S	*	*			trans	-85.4	173.6	-161.6	0	0	0	0	0	117.1
11	F	37.6	Very low	36.5	Very low	214 Å²	214	141.5 Å²	141.5	94%	0.939	86%	0.864	S	S	*	*			trans	-124	121.1	159.1	-94.7	-86.2	0	0	0	110
12	R	37.7	Very low	36	Very low	250 Å²	250	142.5 Å²	142.5	94%	0.943	85%	0.854	S	S	*	*			trans	-65.6	136.5	167.1	-70.2	173	169.8	-171.5	-3.3	109.5
13	G	39.2	Very low	35.7	Very low	81 Å²	81	138.7 Å²	138.7	84%	0.835	85%	0.85	S	S	*	*			trans	-144.7	115.9	160.9	0	0	0	0	0	107.7
14	S	37.3	Very low	35.6	Very low	91 Å²	91	145.4 Å²	145.4	64%	0.636	86%	0.859	S	S	*	*			trans	-112.2	155.2	-158.5	-149.7	0	0	0	0	112.3
15	F	32.3	Very low	35.3	Very low	205 Å²	205	143.5 Å²	143.5	90%	0.899	86%	0.857	S	S	*	*			trans	64.1	122.8	157.4	-65.7	-71.5	0	0	0	120.9
16	G	37.4	Very low	35.4	Very low	79 Å²	79	151.5 Å²	151.5	81%	0.814	86%	0.863	S	S	*	*			trans	170.4	72.7	161.7	0	0	0	0	0	114.4
17	A	34.4	Very low	35.5	Very low	98 Å²	98	150.7 Å²	150.7	81%	0.81	86%	0.855	S	S	*	*			trans	-69.3	135.6	172.6	0	0	0	0	0	112.5
18	R	32.4	Very low	35.7	Very low	258 Å²	258	158.3 Å²	158.3	97%	0.974	86%	0.858	S	S	*	*			trans	151.9	121.5	138.8	-88.6	170.4	175.1	176	-0.6	111.4
19	G	35.9	Very low	35.9	Very low	79 Å²	79	149.4 Å²	149.4	81%	0.814	85%	0.847	S	S	*	*			trans	174.4	68.4	169.5	0	0	0	0	0	114.4	G21	G19-G21 PolarHBondContact O-N 3.14Å
20	R	33	Very low	36.1	Very low	263 Å²	263	156.9 Å²	156.9	99%	0.992	85%	0.851	S	S	*	*			trans	-58	127.3	161.9	-92.6	177.9	167.2	-177.5	-2.2	109.2
21	G	36	Very low	36.4	Very low	75 Å²	75	156.7 Å²	156.7	77%	0.773	85%	0.849	S	S	*	*			trans	-151.7	75.9	172.4	0	0	0	0	0	112.5	G19	G19-G21 PolarHBondContact O-N 3.14Å
22	R	32.1	Very low	36.5	Very low	259 Å²	259	158 Å²	158	98%	0.977	85%	0.848	S	S	*	*			trans	-61.5	127.2	158	-80.3	176.4	167	-178	-4.4	107.9
23	G	33.3	Very low	36.6	Very low	69 Å²	69	149.6 Å²	149.6	71%	0.711	84%	0.839	S	S	*	*			trans	-178.4	86.4	176.5	0	0	0	0	0	118.6
24	R	36.9	Very low	36.8	Very low	250 Å²	250	157.1 Å²	157.1	94%	0.943	84%	0.842	S	S	*	*			trans	79.1	115.9	139.2	-69.9	-179.6	171.1	-174.7	-2.8	119.9
25	G	34.2	Very low	36.8	Very low	77 Å²	77	155.7 Å²	155.7	79%	0.794	84%	0.842	S	S	*	*			trans	-47.9	132.9	171.4	0	0	0	0	0	114	G27	G25-G27 VanDerWaalsContact C-N 3.27Å; G25-G27 PolarHBondContact O-N 3.34Å
26	R	40.7	Very low	37.7	Very low	248 Å²	248	152.5 Å²	152.5	94%	0.936	84%	0.839	S	S	*	*			trans	-66.3	92.4	158.8	-78.4	179.2	170.3	-176.2	-3.1	107.9	R28	R26-R28 PolarHBondContact O-N 3.35Å
27	G	36.5	Very low	38.1	Very low	72 Å²	72	152.7 Å²	152.7	74%	0.742	83%	0.833	S	S	*	*			trans	-52.3	111.1	165.7	0	0	0	0	0	108.7	G25 G29	G25-G27 VanDerWaalsContact C-N 3.27Å; G25-G27 PolarHBondContact O-N 3.34Å; G27-G29 PolarHBondContact O-N 3.27Å
28	R	39.8	Very low	39.4	Very low	242 Å²	242	154.5 Å²	154.5	91%	0.913	83%	0.834	S	S	*	*			trans	-61.6	90.6	158.2	-78.1	179.7	171.6	-177.5	-3.1	105.9	R26 R30	R26-R28 PolarHBondContact O-N 3.35Å; R28-R30 PolarHBondContact O-N 3.05Å
29	G	37.5	Very low	41.4	Very low	74 Å²	74	151.6 Å²	151.6	76%	0.763	83%	0.829	S	S	*	*			trans	-59.2	87.1	162	0	0	0	0	0	107.1	G27 G31	G27-G29 PolarHBondContact O-N 3.27Å; G29-G31 PolarHBondContact O-N 3.09Å
30	R	40.3	Very low	43.8	Very low	235 Å²	235	155.9 Å²	155.9	89%	0.887	83%	0.827	S	S	*	*			trans	-56.3	99.4	155.3	-83.3	-178.3	169.6	-178.7	-2.9	103.9	R28 R32	R28-R30 PolarHBondContact O-N 3.05Å; R30-R32 PolarHBondContact O-N 3.06Å
31	G	40.2	Very low	46.5	Very low	71 Å²	71	145.5 Å²	145.5	73%	0.732	79%	0.788	S	S	*	*			trans	-50.5	102.7	165.2	0	0	0	0	0	105.4	G29 G33	G29-G31 PolarHBondContact O-N 3.09Å; G31-G33 VanDerWaalsContact C-N 3.3Å; G31-G33 PolarHBondContact O-N 2.99Å
32	R	39.1	Very low	49.2	Very low	241 Å²	241	150.1 Å²	150.1	91%	0.909	79%	0.787	S	S	*	*			trans	-52.6	109.1	166.2	-89.3	179.9	167.4	-179	-4.4	103.2	R30 R34	R30-R32 PolarHBondContact O-N 3.06Å; R32-R34 VanDerWaalsContact C-N 3.26Å; R32-R34 PolarHBondContact O-N 3.27Å
33	G	40.1	Very low	52.1	Low	74 Å²	74	139 Å²	139	76%	0.763	75%	0.748	S	S	*	*			trans	-48.7	106.2	167.7	0	0	0	0	0	104.7	G31 G35	G31-G33 VanDerWaalsContact C-N 3.3Å; G31-G33 PolarHBondContact O-N 2.99Å; G33-G35 PolarHBondContact O-N 3.48Å
34	R	43	Very low	54.9	Low	239 Å²	239	141.2 Å²	141.2	90%	0.902	75%	0.748	S	S	*	*			trans	-66.2	91.3	174.3	-166	177.3	-172	177.9	2.4	102.1	R32 V36	R32-R34 VanDerWaalsContact C-N 3.26Å; R32-R34 PolarHBondContact O-N 3.27Å; R34-V36 PolarHBondContact O-N 3.1Å; R34-V36 VanDerWaalsContact O-N 3.09Å
35	G	38.4	Very low	57.6	Low	61 Å²	61	131.2 Å²	131.2	63%	0.629	71%	0.714	S	S	*	*			trans	-44.8	124.9	173.4	0	0	0	0	0	105.2	G33 A37	G33-G35 PolarHBondContact O-N 3.48Å; G35-A37 PolarHBondContact O-N 3.36Å
36	V	49.6	Very low	60.4	Low	138 Å²	138	132.3 Å²	132.3	84%	0.836	70%	0.699	S	S	*	*			trans	-61.4	93	179.5	178	0	0	0	0	104.6	R34 T38	R34-V36 PolarHBondContact O-N 3.1Å; R34-V36 VanDerWaalsContact O-N 3.09Å; V36-T38 PolarHBondContact O-N 3.08Å
37	A	47.3	Very low	62.9	Low	83 Å²	83	120.9 Å²	120.9	69%	0.686	66%	0.657	S	S	*	*			trans	-56.2	115.2	175	0	0	0	0	0	104.3	G35 K39	G35-A37 PolarHBondContact O-N 3.36Å; A37-K39 VanDerWaalsContact C-N 3.28Å; A37-K39 PolarHBondContact O-N 3.28Å
38	T	60.3	Low	65.7	Low	137 Å²	137	117.5 Å²	117.5	84%	0.84	62%	0.621	S	S	*	*			trans	-55.8	102	173.8	43	0	0	0	0	105.6	V36 E40	V36-T38 PolarHBondContact O-N 3.08Å; T38-E40 PolarHBondContact O-N 3.5Å
39	K	76.2	Confident	68.3	Low	197 Å²	197	108.6 Å²	108.6	86%	0.857	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-63.6	116.1	-173.8	-169	-178.7	-178.4	-172.9	0	106	A37 W41	A37-K39 VanDerWaalsContact C-N 3.28Å; A37-K39 PolarHBondContact O-N 3.28Å; K39-W41 PolarHBondContact O-N 3.39Å
40	E	85.3	Confident	71	Confident	168 Å²	168	105 Å²	105	79%	0.785	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-55	123.3	176.1	-167.6	176.3	-165.8	0	0	108.5	T38 K42	T38-E40 PolarHBondContact O-N 3.5Å; E40-K42 PolarHBondContact O-N 2.93Å
41	W	90	Very high	73.6	Confident	45 Å²	45	94.2 Å²	94.2	17%	0.17	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-72.8	119.7	-175.3	172.4	40.3	0	0	0	109.2	K39 P43 V51 N52 E71 E73 I74 T77	K39-W41 PolarHBondContact O-N 3.39Å; W41-P43 HydrophobicContact CZ2-CB 4.05Å; W41-V51 HydrophobicContact CH2-CG1 4.48Å; W41-N52 HydrophobicContact CZ3-CB 4.28Å; W41-E71 VanDerWaalsContact CE2-OE2 3.29Å; W41-E71 HydrophobicContact CZ2-CB 4.26Å; W41-E71 WeakPolarHBondContact CZ2-OE2 3.22Å; W41-E71 PolarHBondContact NE1-OE2 2.83Å; W41-E73 HydrophobicContact CB-CB 4.39Å; W41-E73 HydrophobicContact CB-CG 4.26Å; W41-E73 HydrophobicContact CD2-CB 3.29Å; W41-E73 HydrophobicContact CD2-CG 4.03Å; W41-E73 HydrophobicContact CE3-CB 3.7Å; W41-E73 HydrophobicContact CG-CB 3.6Å; W41-E73 HydrophobicContact CG-CG 3.75Å; W41-E73 HydrophobicContact CH2-CB 4.2Å; W41-E73 HydrophobicContact CZ2-CB 3.84Å; W41-E73 HydrophobicContact CZ3-CB 4.13Å; W41-I74 HydrophobicContact CH2-CB 4.34Å; W41-I74 HydrophobicContact CH2-CG1 3.62Å; W41-I74 HydrophobicContact CZ2-CG1 3.77Å; W41-T77 HydrophobicContact CE3-CG2 3.81Å; W41-T77 HydrophobicContact CZ3-CG2 3.55Å
42	K	92	Very high	76.1	Confident	172 Å²	172	94.2 Å²	94.2	75%	0.748	49%	0.494	S	S	*	.			trans	-102	107	170.8	-69.5	-169.8	177.8	-171	0	108.7	E40	E40-K42 PolarHBondContact O-N 2.93Å
43	P	92.9	Very high	78.6	Confident	26 Å²	26	87.9 Å²	87.9	17%	0.169	48%	0.475	C	S	.	.			trans	-69.1	133	-176.7	27.2	-34.7	0	0	0	111.5	W41 G48 R49 N52	W41-P43 HydrophobicContact CZ2-CB 4.05Å; P43-G48 WeakPolarHBondContact CB-O 3.39Å; P43-R49 HydrophobicContact CB-CG 4.15Å; P43-R49 HydrophobicContact CG-CG 4.02Å; P43-N52 HydrophobicContact CG-CB 3.9Å
44	V	91.9	Very high	81.1	Confident	116 Å²	116	94.4 Å²	94.4	70%	0.703	48%	0.477	S	S	*	.			trans	-98.5	-40.7	-179.6	-177.8	0	0	0	0	110.4	E71	V44-E71 PolarHBondContact N-OE1 3.15Å; V44-E71 VanDerWaalsContact N-OE1 3.13Å
45	T	93.7	Very high	83.4	Confident	39 Å²	39	85.8 Å²	85.8	24%	0.239	45%	0.446	C	S	.	.	S	Bend	trans	-79.3	154.7	-178.7	57.5	0	0	0	0	112.5	L47 G48 R49 K70 E71	T45-L47 VanDerWaalsContact C-N 3.25Å; T45-L47 PolarHBondContact O-N 3.22Å; T45-G48 PolarHBondContact O-N 3.05Å; T45-G48 PolarHBondContact OG1-N 3.26Å; T45-R49 WeakPolarHBondContact O-CG 3.42Å; T45-R49 PolarHBondContact O-N 3.34Å; T45-K70 HydrophobicContact CG2-CB 4.47Å; T45-E71 VanDerWaalsContact CB-OE1 3.26Å; T45-E71 WeakPolarHBondContact CB-OE1 3.47Å; T45-E71 VanDerWaalsContact CG2-OE1 3.24Å; T45-E71 WeakPolarHBondContact CG2-OE1 3.39Å; T45-E71 PolarHBondContact N-OE1 2.96Å; T45-E71 PolarHBondContact OG1-OE1 3.31Å
46	Q	92.9	Very high	85.9	Confident	101 Å²	101	83 Å²	83	47%	0.472	42%	0.417	S	S	.	.	H	α-helix	trans	-56.4	-42.8	171.7	-68.9	179.5	-20.5	0	0	111.3	R49 L50 F247 L254	Q46-R49 PolarHBondContact O-N 3.49Å; Q46-L50 WeakPolarHBondContact O-CG 3.4Å; Q46-L50 PolarHBondContact O-N 3.12Å; Q46-L50 VanDerWaalsContact O-N 3.07Å; Q46-F247 HydrophobicContact CB-CD1 4.49Å; Q46-F247 HydrophobicContact CB-CE1 4.02Å; Q46-L254 HydrophobicContact CB-CD1 4.17Å; Q46-L254 HydrophobicContact CB-CD2 4.03Å; Q46-L254 HydrophobicContact CG-CD1 4.28Å; Q46-L254 HydrophobicContact CG-CD2 4.24Å
47	L	94.4	Very high	87.8	Confident	8 Å²	8	81 Å²	81	4%	0.042	41%	0.405	C	S	.	.	H	α-helix	trans	-61	-47.7	175.9	-176.1	64.2	0	0	0	111.4	T45 R49 L50 V51 I56 I62 L67 I69 I74	T45-L47 VanDerWaalsContact C-N 3.25Å; T45-L47 PolarHBondContact O-N 3.22Å; L47-R49 VanDerWaalsContact C-N 3.29Å; L47-R49 PolarHBondContact O-N 3.32Å; L47-L50 PolarHBondContact O-N 3.26Å; L47-V51 HydrophobicContact CD1-CG2 4.37Å; L47-V51 VanDerWaalsContact O-CG2 3.31Å; L47-V51 WeakPolarHBondContact O-CG2 3.39Å; L47-V51 PolarHBondContact O-N 3.32Å; L47-I56 HydrophobicContact CD1-CD1 3.54Å; L47-I62 HydrophobicContact CD1-CD1 4.19Å; L47-I62 HydrophobicContact CD1-CG1 4.25Å; L47-I62 HydrophobicContact CD2-CD1 4.48Å; L47-I62 HydrophobicContact CD2-CG2 4.26Å; L47-L67 HydrophobicContact CD1-CD1 3.95Å; L47-L67 HydrophobicContact CD2-CB 4.42Å; L47-I69 HydrophobicContact CD2-CG1 4.24Å; L47-I74 HydrophobicContact CB-CD1 4.35Å; L47-I74 HydrophobicContact CD2-CD1 3.89Å; L47-I74 HydrophobicContact CG-CD1 3.93Å
48	G	94.7	Very high	90	Very high	0 Å²	0	79.5 Å²	79.5	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-57.1	-41.9	176.4	0	0	0	0	0	112.6	P43 T45 V51 N52	P43-G48 WeakPolarHBondContact CB-O 3.39Å; T45-G48 PolarHBondContact O-N 3.05Å; T45-G48 PolarHBondContact OG1-N 3.26Å; G48-V51 PolarHBondContact O-N 3.12Å; G48-N52 VanDerWaalsContact O-CB 3.27Å; G48-N52 WeakPolarHBondContact O-CB 3.36Å; G48-N52 PolarHBondContact O-N 3.37Å
49	R	94.1	Very high	91.5	Very high	55 Å²	55	73.3 Å²	73.3	21%	0.208	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-44	177.6	-68.7	170.1	-175	-170.2	1.3	111.8	P43 T45 Q46 L47 V51 E53 I257	P43-R49 HydrophobicContact CB-CG 4.15Å; P43-R49 HydrophobicContact CG-CG 4.02Å; T45-R49 WeakPolarHBondContact O-CG 3.42Å; T45-R49 PolarHBondContact O-N 3.34Å; Q46-R49 PolarHBondContact O-N 3.49Å; L47-R49 VanDerWaalsContact C-N 3.29Å; L47-R49 PolarHBondContact O-N 3.32Å; R49-V51 VanDerWaalsContact C-N 3.35Å; R49-E53 WeakPolarHBondContact O-CB 3.43Å; R49-E53 VanDerWaalsContact O-CG 3.27Å; R49-E53 WeakPolarHBondContact O-CG 3.38Å; R49-E53 PolarHBondContact O-N 3.15Å; R49-E53 VanDerWaalsContact O-N 3.17Å; R49-I257 HydrophobicContact CB-CD1 4.29Å
50	L	94.7	Very high	92.3	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.9	-38.9	178.7	-67.3	174.1	0	0	0	112.6	Q46 L47 R54 K55 I56 I246 F247 Y250 F253 L254	Q46-L50 WeakPolarHBondContact O-CG 3.4Å; Q46-L50 PolarHBondContact O-N 3.12Å; Q46-L50 VanDerWaalsContact O-N 3.07Å; L47-L50 PolarHBondContact O-N 3.26Å; L50-R54 PolarHBondContact O-N 3.29Å; L50-K55 HydrophobicContact CD2-CB 4.35Å; L50-K55 HydrophobicContact CD2-CD 3.87Å; L50-K55 WeakPolarHBondContact O-CB 3.34Å; L50-K55 PolarHBondContact O-N 2.93Å; L50-I56 HydrophobicContact CB-CD1 3.7Å; L50-I56 HydrophobicContact CB-CG1 4.09Å; L50-I56 HydrophobicContact CD1-CD1 3.99Å; L50-I246 HydrophobicContact CD1-CG2 3.65Å; L50-F247 HydrophobicContact CD1-CD1 3.95Å; L50-F247 HydrophobicContact CD1-CE1 4.02Å; L50-Y250 HydrophobicContact CD1-CD2 4.49Å; L50-Y250 HydrophobicContact CD2-CD2 4.14Å; L50-Y250 HydrophobicContact CD2-CG 3.98Å; L50-F253 HydrophobicContact CD2-CD1 3.87Å; L50-F253 HydrophobicContact CD2-CE1 4.29Å; L50-L254 HydrophobicContact CD1-CD1 4.45Å; L50-L254 HydrophobicContact CD2-CD2 4.06Å; L50-L254 HydrophobicContact CD2-CG 4.28Å; L50-L254 HydrophobicContact CG-CD2 4.08Å
51	V	95	Very high	92.6	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-72.9	-43.7	179.4	175.2	0	0	0	0	111	W41 L47 G48 R49 E53 R54 I56 I74 T77 I78	W41-V51 HydrophobicContact CH2-CG1 4.48Å; L47-V51 HydrophobicContact CD1-CG2 4.37Å; L47-V51 VanDerWaalsContact O-CG2 3.31Å; L47-V51 WeakPolarHBondContact O-CG2 3.39Å; L47-V51 PolarHBondContact O-N 3.32Å; G48-V51 PolarHBondContact O-N 3.12Å; R49-V51 VanDerWaalsContact C-N 3.35Å; V51-E53 PolarHBondContact O-N 3.47Å; V51-R54 PolarHBondContact O-N 3.15Å; V51-I56 HydrophobicContact CG2-CB 4.05Å; V51-I56 HydrophobicContact CG2-CD1 4.22Å; V51-I56 HydrophobicContact CG2-CG2 4.34Å; V51-I74 HydrophobicContact CG1-CG2 4.3Å; V51-I74 HydrophobicContact CG2-CG2 3.96Å; V51-T77 WeakPolarHBondContact CG1-OG1 3.43Å; V51-I78 HydrophobicContact CG1-CD1 4.15Å; V51-I78 HydrophobicContact CG1-CG1 4Å; V51-I78 HydrophobicContact CG2-CD1 4.39Å
52	N	92.8	Very high	92.8	Very high	71 Å²	71	63.1 Å²	63.1	38%	0.38	31%	0.306	S	S	.	.	H	α-helix	trans	-58.4	-36.3	177.3	-169.9	46	0	0	0	111.9	W41 P43 G48 R54	W41-N52 HydrophobicContact CZ3-CB 4.28Å; P43-N52 HydrophobicContact CG-CB 3.9Å; G48-N52 VanDerWaalsContact O-CB 3.27Å; G48-N52 WeakPolarHBondContact O-CB 3.36Å; G48-N52 PolarHBondContact O-N 3.37Å; N52-R54 PolarHBondContact O-N 2.93Å
53	E	91.8	Very high	92.9	Very high	109 Å²	109	57.2 Å²	57.2	51%	0.509	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	10.8	180	-67	-84.3	167.1	0	0	112.8	R49 V51 K55 F253	R49-E53 WeakPolarHBondContact O-CB 3.43Å; R49-E53 VanDerWaalsContact O-CG 3.27Å; R49-E53 WeakPolarHBondContact O-CG 3.38Å; R49-E53 PolarHBondContact O-N 3.15Å; R49-E53 VanDerWaalsContact O-N 3.17Å; V51-E53 PolarHBondContact O-N 3.47Å; E53-K55 HydrophobicContact CB-CG 4.39Å; E53-K55 PolarHBondContact O-N 3.34Å; E53-K55 VanDerWaalsContact O-N 3.12Å; E53-F253 HydrophobicContact CB-CE1 4.07Å; E53-F253 HydrophobicContact CB-CZ 3.79Å; E53-F253 HydrophobicContact CG-CE1 4.05Å; E53-F253 HydrophobicContact CG-CZ 3.56Å
54	R	91.4	Very high	92.9	Very high	211 Å²	211	61.8 Å²	61.8	80%	0.796	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	26.7	177.6	-57.1	-174.3	178	-174.8	-0.7	115	L50 V51 N52	L50-R54 PolarHBondContact O-N 3.29Å; V51-R54 PolarHBondContact O-N 3.15Å; N52-R54 PolarHBondContact O-N 2.93Å
55	K	91.4	Very high	92.9	Very high	58 Å²	58	58.6 Å²	58.6	25%	0.252	28%	0.277	S	S	.	.	S	Bend	trans	-76.3	-35.6	173.7	-60.8	-163.9	173.8	-151.4	0	112.1	L50 E53 Y250 F253	L50-K55 HydrophobicContact CD2-CB 4.35Å; L50-K55 HydrophobicContact CD2-CD 3.87Å; L50-K55 WeakPolarHBondContact O-CB 3.34Å; L50-K55 PolarHBondContact O-N 2.93Å; E53-K55 HydrophobicContact CB-CG 4.39Å; E53-K55 PolarHBondContact O-N 3.34Å; E53-K55 VanDerWaalsContact O-N 3.12Å; K55-Y250 HydrophobicContact CB-CD2 4.5Å; K55-Y250 HydrophobicContact CB-CE1 4.16Å; K55-Y250 HydrophobicContact CB-CE2 4.17Å; K55-Y250 HydrophobicContact CD-CD1 3.66Å; K55-Y250 HydrophobicContact CD-CE1 3.92Å; K55-Y250 HydrophobicContact CD-CG 4.06Å; K55-Y250 HydrophobicContact CG-CE1 4.44Å; K55-Y250 PolarHBondContact O-OH 3Å; K55-F253 HydrophobicContact CD-CD1 3.8Å; K55-F253 HydrophobicContact CD-CE1 3.99Å; K55-F253 HydrophobicContact CD-CG 4.18Å; K55-F253 VanDerWaalsContact CE-CD1 3.49Å; K55-F253 VanDerWaalsContact CE-CG 3.47Å
56	I	91.6	Very high	92.9	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.015	30%	0.3	C	S	.	.			trans	-102.5	115.3	169.7	-60.1	168.7	0	0	0	106	L47 L50 V51 T58 E61 I62 I246	L47-I56 HydrophobicContact CD1-CD1 3.54Å; L50-I56 HydrophobicContact CB-CD1 3.7Å; L50-I56 HydrophobicContact CB-CG1 4.09Å; L50-I56 HydrophobicContact CD1-CD1 3.99Å; V51-I56 HydrophobicContact CG2-CB 4.05Å; V51-I56 HydrophobicContact CG2-CD1 4.22Å; V51-I56 HydrophobicContact CG2-CG2 4.34Å; I56-T58 WeakPolarHBondContact CG2-O 3.32Å; I56-E61 HydrophobicContact CG2-CB 4.22Å; I56-I62 HydrophobicContact CG2-CD1 4.25Å; I56-I62 HydrophobicContact CG2-CG1 3.92Å; I56-I246 HydrophobicContact CD1-CD1 4.31Å; I56-I246 HydrophobicContact CD1-CG2 3.73Å; I56-I246 HydrophobicContact CG1-CG2 4.05Å
57	T	89.1	Confident	92.9	Very high	95 Å²	95	57.8 Å²	57.8	58%	0.583	28%	0.282	S	S	*	.			trans	-102	-27.2	-178.4	59	0	0	0	0	112
58	T	92.9	Very high	93	Very high	52 Å²	52	61.8 Å²	61.8	32%	0.319	31%	0.309	S	S	.	.			trans	-115	148.5	-174.8	67	0	0	0	0	112.1	I56 E60 E61	I56-T58 WeakPolarHBondContact CG2-O 3.32Å; T58-E60 PolarHBondContact O-N 3.41Å; T58-E61 WeakPolarHBondContact OG1-CG 3.33Å; T58-E61 PolarHBondContact OG1-OE1 3.25Å
59	L	92.7	Very high	93	Very high	6 Å²	6	63 Å²	63	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-71.5	-24.8	174.4	-153.5	77.7	0	0	0	111.7	E61 I62 Y63 I75 I78 L79 I143	L59-E61 VanDerWaalsContact C-N 3.34Å; L59-E61 PolarHBondContact O-N 3.37Å; L59-I62 HydrophobicContact CD1-CD1 4.32Å; L59-I62 WeakPolarHBondContact O-CB 3.34Å; L59-I62 PolarHBondContact O-N 3.17Å; L59-I62 VanDerWaalsContact O-N 3.11Å; L59-Y63 HydrophobicContact CB-CE2 4.1Å; L59-Y63 HydrophobicContact CD2-CE1 4.23Å; L59-Y63 HydrophobicContact CD2-CE2 3.41Å; L59-Y63 VanDerWaalsContact CD2-CE2 3.41Å; L59-Y63 WeakPolarHBondContact CD2-OH 3.12Å; L59-Y63 HydrophobicContact CG-CD2 4.34Å; L59-Y63 HydrophobicContact CG-CE1 4.24Å; L59-Y63 HydrophobicContact CG-CE2 3.64Å; L59-Y63 VanDerWaalsContact O-CD2 3.29Å; L59-Y63 WeakPolarHBondContact O-CD2 3.49Å; L59-Y63 PolarHBondContact O-N 2.89Å; L59-Y63 VanDerWaalsContact O-N 3.07Å; L59-I75 HydrophobicContact CD1-CG1 4.34Å; L59-I78 HydrophobicContact CB-CG2 4.28Å; L59-I78 HydrophobicContact CD1-CD1 3.94Å; L59-I78 HydrophobicContact CD1-CG2 4.41Å; L59-L79 HydrophobicContact CD2-CD1 4.01Å; L59-I143 HydrophobicContact CD2-CG2 4.08Å
60	E	92.4	Very high	93.1	Very high	141 Å²	141	67.7 Å²	67.7	66%	0.659	34%	0.337	S	S	*	.	H	α-helix	trans	-62.1	-39.7	-179.7	-61.9	-177.4	178.2	0	0	112.1	T58 I62 Y63 M64	T58-E60 PolarHBondContact O-N 3.41Å; E60-I62 VanDerWaalsContact C-N 3.28Å; E60-I62 PolarHBondContact O-N 2.98Å; E60-Y63 PolarHBondContact O-N 3.34Å; E60-M64 WeakPolarHBondContact O-CB 3.38Å; E60-M64 PolarHBondContact O-N 3.12Å
61	E	92	Very high	93.1	Very high	55 Å²	55	68.8 Å²	68.8	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-56.7	-42.2	172.6	-76.3	168.9	-124.4	0	0	111.8	I56 T58 L59 F65 I246	I56-E61 HydrophobicContact CG2-CB 4.22Å; T58-E61 WeakPolarHBondContact OG1-CG 3.33Å; T58-E61 PolarHBondContact OG1-OE1 3.25Å; L59-E61 VanDerWaalsContact C-N 3.34Å; L59-E61 PolarHBondContact O-N 3.37Å; E61-F65 VanDerWaalsContact O-CD2 3.3Å; E61-F65 WeakPolarHBondContact O-CD2 3.35Å; E61-I246 HydrophobicContact CB-CD1 3.94Å; E61-I246 WeakPolarHBondContact O-CD1 3.27Å
62	I	94.8	Very high	93.1	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-66.4	-42.1	178.8	-55	-176.5	0	0	0	110.3	L47 I56 L59 E60 S66 L67 I69 I74 I78	L47-I62 HydrophobicContact CD1-CD1 4.19Å; L47-I62 HydrophobicContact CD1-CG1 4.25Å; L47-I62 HydrophobicContact CD2-CD1 4.48Å; L47-I62 HydrophobicContact CD2-CG2 4.26Å; I56-I62 HydrophobicContact CG2-CD1 4.25Å; I56-I62 HydrophobicContact CG2-CG1 3.92Å; L59-I62 HydrophobicContact CD1-CD1 4.32Å; L59-I62 WeakPolarHBondContact O-CB 3.34Å; L59-I62 PolarHBondContact O-N 3.17Å; L59-I62 VanDerWaalsContact O-N 3.11Å; E60-I62 VanDerWaalsContact C-N 3.28Å; E60-I62 PolarHBondContact O-N 2.98Å; I62-S66 PolarHBondContact O-N 3.02Å; I62-L67 HydrophobicContact CG2-CB 3.9Å; I62-L67 PolarHBondContact O-N 3.07Å; I62-I69 HydrophobicContact CG2-CD1 4.11Å; I62-I69 HydrophobicContact CG2-CG1 3.95Å; I62-I74 HydrophobicContact CD1-CG2 4.04Å; I62-I78 HydrophobicContact CD1-CD1 3.79Å
63	Y	94	Very high	93.1	Very high	48 Å²	48	69.2 Å²	69.2	19%	0.188	34%	0.342	C	S	.	.	H	α-helix	trans	-68.3	-40.9	179.3	-62.9	-38.1	0	0	0	113.2	L59 E60 F65 S66 H117 I143 P145	L59-Y63 HydrophobicContact CB-CE2 4.1Å; L59-Y63 HydrophobicContact CD2-CE1 4.23Å; L59-Y63 HydrophobicContact CD2-CE2 3.41Å; L59-Y63 VanDerWaalsContact CD2-CE2 3.41Å; L59-Y63 WeakPolarHBondContact CD2-OH 3.12Å; L59-Y63 HydrophobicContact CG-CD2 4.34Å; L59-Y63 HydrophobicContact CG-CE1 4.24Å; L59-Y63 HydrophobicContact CG-CE2 3.64Å; L59-Y63 VanDerWaalsContact O-CD2 3.29Å; L59-Y63 WeakPolarHBondContact O-CD2 3.49Å; L59-Y63 PolarHBondContact O-N 2.89Å; L59-Y63 VanDerWaalsContact O-N 3.07Å; E60-Y63 PolarHBondContact O-N 3.34Å; Y63-F65 PolarHBondContact O-N 3.49Å; Y63-S66 PolarHBondContact O-N 3.2Å; Y63-H117 AromaticContact CE2-CD2 3.87Å; Y63-H117 AromaticContact CE2-NE2 3.99Å; Y63-I143 WeakPolarHBondContact OH-CG2 3.15Å; Y63-P145 HydrophobicContact CD1-CG 4.37Å; Y63-P145 HydrophobicContact CD2-CB 3.76Å; Y63-P145 HydrophobicContact CD2-CG 3.73Å; Y63-P145 HydrophobicContact CE1-CG 4.46Å; Y63-P145 HydrophobicContact CE2-CB 3.59Å; Y63-P145 HydrophobicContact CE2-CG 3.83Å; Y63-P145 HydrophobicContact CG-CG 3.99Å
64	M	91.9	Very high	93.3	Very high	122 Å²	122	64 Å²	64	60%	0.601	32%	0.318	S	S	*	.	H	α-helix	trans	-56.4	-40	-179.2	-171.8	66.2	178.1	0	0	111.8	E60	E60-M64 WeakPolarHBondContact O-CB 3.38Å; E60-M64 PolarHBondContact O-N 3.12Å
65	F	92.6	Very high	93.4	Very high	49 Å²	49	54 Å²	54	22%	0.215	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	6.7	177.6	-60.6	-69.1	0	0	0	114	E61 Y63 L67 S243 K244 H245 I246	E61-F65 VanDerWaalsContact O-CD2 3.3Å; E61-F65 WeakPolarHBondContact O-CD2 3.35Å; Y63-F65 PolarHBondContact O-N 3.49Å; F65-L67 HydrophobicContact CB-CD1 4.5Å; F65-L67 HydrophobicContact CB-CD2 4.14Å; F65-L67 HydrophobicContact CB-CG 3.96Å; F65-L67 PolarHBondContact O-N 3.39Å; F65-S243 WeakPolarHBondContact CZ-OG 3.25Å; F65-K244 WeakPolarHBondContact CZ-O 3.4Å; F65-H245 HydrophobicContact CD1-CB 4.41Å; F65-H245 AromaticContact CD1-CD2 3.54Å; F65-H245 HydrophobicContact CE1-CB 4.31Å; F65-H245 AromaticContact CG-CD2 3.91Å; F65-I246 HydrophobicContact CD2-CD1 3.47Å; F65-I246 VanDerWaalsContact CD2-CD1 3.47Å; F65-I246 HydrophobicContact CD2-CG1 3.58Å; F65-I246 HydrophobicContact CE2-CD1 3.88Å; F65-I246 HydrophobicContact CE2-CG1 3.57Å
66	S	93.4	Very high	93.5	Very high	104 Å²	104	53.9 Å²	53.9	73%	0.727	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	40.9	179.5	-61.4	0	0	0	0	113.4	I62 Y63	I62-S66 PolarHBondContact O-N 3.02Å; Y63-S66 PolarHBondContact O-N 3.2Å
67	L	93.8	Very high	93.5	Very high	19 Å²	19	57.2 Å²	57.2	10%	0.099	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-74.3	134.3	-176.2	-60.6	-179.5	0	0	0	111.3	L47 I62 F65 I69 I246 F247	L47-L67 HydrophobicContact CD1-CD1 3.95Å; L47-L67 HydrophobicContact CD2-CB 4.42Å; I62-L67 HydrophobicContact CG2-CB 3.9Å; I62-L67 PolarHBondContact O-N 3.07Å; F65-L67 HydrophobicContact CB-CD1 4.5Å; F65-L67 HydrophobicContact CB-CD2 4.14Å; F65-L67 HydrophobicContact CB-CG 3.96Å; F65-L67 PolarHBondContact O-N 3.39Å; L67-I69 PolarHBondContact O-N 3.35Å; L67-I246 HydrophobicContact CD1-CD1 4.01Å; L67-F247 HydrophobicContact CD1-CE1 4.49Å; L67-F247 HydrophobicContact CD1-CZ 4.08Å; L67-F247 HydrophobicContact CD2-CD2 4.49Å; L67-F247 HydrophobicContact CD2-CE2 3.71Å; L67-F247 HydrophobicContact CD2-CZ 4.03Å
68	P	95.4	Very high	93.7	Very high	91 Å²	91	54.5 Å²	54.5	59%	0.591	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-75.8	116.6	179.4	29.2	-33.6	0	0	0	111.5
69	I	95.6	Very high	93.5	Very high	26 Å²	26	53 Å²	53	13%	0.133	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-79.7	119.5	173.3	-54.1	175.4	0	0	0	109.1	L47 I62 L67 E71 I74 I75 L141 I143	L47-I69 HydrophobicContact CD2-CG1 4.24Å; I62-I69 HydrophobicContact CG2-CD1 4.11Å; I62-I69 HydrophobicContact CG2-CG1 3.95Å; L67-I69 PolarHBondContact O-N 3.35Å; I69-E71 WeakPolarHBondContact CG2-O 3.34Å; I69-I74 HydrophobicContact CG2-CB 4.24Å; I69-I74 HydrophobicContact CG2-CD1 4.13Å; I69-I74 HydrophobicContact CG2-CG2 4.36Å; I69-I75 HydrophobicContact CD1-CD1 4.07Å; I69-I75 HydrophobicContact CD1-CG1 4.22Å; I69-I75 HydrophobicContact CG2-CD1 4.12Å; I69-I75 HydrophobicContact CG2-CG1 4.41Å; I69-L141 HydrophobicContact CG2-CD2 4.14Å; I69-I143 HydrophobicContact CD1-CG2 4.31Å
70	K	95.3	Very high	92.9	Very high	153 Å²	153	54.8 Å²	54.8	67%	0.665	30%	0.295	S	S	*	.			trans	-114.8	-14.6	-180	-68.6	-178.5	179.8	178.7	0	114	T45 L141	T45-K70 HydrophobicContact CG2-CB 4.47Å; K70-L141 VanDerWaalsContact C-CD2 3.47Å
71	E	94.8	Very high	92.6	Very high	23 Å²	23	54.2 Å²	54.2	11%	0.107	31%	0.306	C	S	.	.			trans	-114.6	127.7	179.5	-63.7	176.5	-141.3	0	0	107.7	W41 V44 T45 I69 E73 I74	W41-E71 VanDerWaalsContact CE2-OE2 3.29Å; W41-E71 HydrophobicContact CZ2-CB 4.26Å; W41-E71 WeakPolarHBondContact CZ2-OE2 3.22Å; W41-E71 PolarHBondContact NE1-OE2 2.83Å; V44-E71 PolarHBondContact N-OE1 3.15Å; V44-E71 VanDerWaalsContact N-OE1 3.13Å; T45-E71 VanDerWaalsContact CB-OE1 3.26Å; T45-E71 WeakPolarHBondContact CB-OE1 3.47Å; T45-E71 VanDerWaalsContact CG2-OE1 3.24Å; T45-E71 WeakPolarHBondContact CG2-OE1 3.39Å; T45-E71 PolarHBondContact N-OE1 2.96Å; T45-E71 PolarHBondContact OG1-OE1 3.31Å; I69-E71 WeakPolarHBondContact CG2-O 3.34Å; E71-E73 PolarHBondContact O-N 2.97Å; E71-I74 HydrophobicContact CB-CD1 3.89Å; E71-I74 HydrophobicContact CB-CG1 4.12Å; E71-I74 PolarHBondContact O-N 3.25Å
72	C	94.5	Very high	92.5	Very high	14 Å²	14	53.7 Å²	53.7	10%	0.095	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-22.7	-177.2	60.9	0	0	0	0	111.7	I74 I75 D76 I137 K140 L141	C72-I74 PolarHBondContact O-N 3.2Å; C72-I75 PolarHBondContact O-N 3.04Å; C72-D76 PolarHBondContact O-N 2.77Å; C72-I137 HydrophobicContact CB-CG2 4.07Å; C72-K140 HydrophobicContact CB-CB 3.92Å; C72-K140 HydrophobicContact CB-CD 3.99Å; C72-L141 HydrophobicContact CB-CD2 4.27Å; C72-L141 HydrophobicContact CB-CG 4.4Å
73	E	94.1	Very high	92.4	Very high	73 Å²	73	54.9 Å²	54.9	34%	0.341	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-24.3	177.3	-60.7	86.9	169.3	0	0	112.5	W41 E71 I75 D76 T77	W41-E73 HydrophobicContact CB-CB 4.39Å; W41-E73 HydrophobicContact CB-CG 4.26Å; W41-E73 HydrophobicContact CD2-CB 3.29Å; W41-E73 HydrophobicContact CD2-CG 4.03Å; W41-E73 HydrophobicContact CE3-CB 3.7Å; W41-E73 HydrophobicContact CG-CB 3.6Å; W41-E73 HydrophobicContact CG-CG 3.75Å; W41-E73 HydrophobicContact CH2-CB 4.2Å; W41-E73 HydrophobicContact CZ2-CB 3.84Å; W41-E73 HydrophobicContact CZ3-CB 4.13Å; E71-E73 PolarHBondContact O-N 2.97Å; E73-I75 PolarHBondContact O-N 3.24Å; E73-D76 PolarHBondContact O-N 3.13Å; E73-T77 PolarHBondContact O-N 2.92Å; E73-T77 PolarHBondContact O-OG1 3.18Å
74	I	94.8	Very high	92.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-41.1	170.7	-69.8	165.7	0	0	0	110.6	W41 L47 V51 I62 I69 E71 C72 T77 I78	W41-I74 HydrophobicContact CH2-CB 4.34Å; W41-I74 HydrophobicContact CH2-CG1 3.62Å; W41-I74 HydrophobicContact CZ2-CG1 3.77Å; L47-I74 HydrophobicContact CB-CD1 4.35Å; L47-I74 HydrophobicContact CD2-CD1 3.89Å; L47-I74 HydrophobicContact CG-CD1 3.93Å; V51-I74 HydrophobicContact CG1-CG2 4.3Å; V51-I74 HydrophobicContact CG2-CG2 3.96Å; I62-I74 HydrophobicContact CD1-CG2 4.04Å; I69-I74 HydrophobicContact CG2-CB 4.24Å; I69-I74 HydrophobicContact CG2-CD1 4.13Å; I69-I74 HydrophobicContact CG2-CG2 4.36Å; E71-I74 HydrophobicContact CB-CD1 3.89Å; E71-I74 HydrophobicContact CB-CG1 4.12Å; E71-I74 PolarHBondContact O-N 3.25Å; C72-I74 PolarHBondContact O-N 3.2Å; I74-T77 PolarHBondContact O-OG1 3.1Å; I74-I78 HydrophobicContact CG2-CD1 4.1Å; I74-I78 WeakPolarHBondContact O-CD1 3.49Å; I74-I78 VanDerWaalsContact O-CG1 3.3Å; I74-I78 WeakPolarHBondContact O-CG1 3.49Å; I74-I78 PolarHBondContact O-N 3.15Å
75	I	94.4	Very high	92.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-80.7	-32.8	-178	-66.2	164.8	0	0	0	110.4	L59 I69 C72 E73 T77 I78 L79 L83 K140 I143	L59-I75 HydrophobicContact CD1-CG1 4.34Å; I69-I75 HydrophobicContact CD1-CD1 4.07Å; I69-I75 HydrophobicContact CD1-CG1 4.22Å; I69-I75 HydrophobicContact CG2-CD1 4.12Å; I69-I75 HydrophobicContact CG2-CG1 4.41Å; C72-I75 PolarHBondContact O-N 3.04Å; E73-I75 PolarHBondContact O-N 3.24Å; I75-T77 VanDerWaalsContact C-N 3.29Å; I75-T77 PolarHBondContact O-N 3.38Å; I75-I78 PolarHBondContact O-N 2.91Å; I75-L79 HydrophobicContact CG2-CD1 4.4Å; I75-L79 PolarHBondContact O-N 2.85Å; I75-L83 HydrophobicContact CG2-CD1 4.4Å; I75-L83 HydrophobicContact CG2-CD2 4.34Å; I75-K140 HydrophobicContact CB-CB 4.47Å; I75-K140 HydrophobicContact CD1-CB 4.06Å; I75-K140 WeakPolarHBondContact CD1-O 3.4Å; I75-I143 HydrophobicContact CD1-CB 4.14Å; I75-I143 HydrophobicContact CD1-CG2 3.44Å; I75-I143 VanDerWaalsContact CD1-CG2 3.44Å; I75-I143 HydrophobicContact CG1-CG2 4.12Å; I75-I143 HydrophobicContact CG2-CD1 4.05Å
76	D	93.3	Very high	92.7	Very high	56 Å²	56	57.5 Å²	57.5	30%	0.299	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-34.4	175.1	-68.3	-24.6	0	0	0	112.2	C72 E73 G80 K140	C72-D76 PolarHBondContact O-N 2.77Å; E73-D76 PolarHBondContact O-N 3.13Å; D76-G80 WeakPolarHBondContact O-CA 3.31Å; D76-G80 PolarHBondContact O-N 3.07Å; D76-K140 WeakPolarHBondContact OD1-CD 3.27Å; D76-K140 WeakPolarHBondContact OD1-CE 3.3Å; D76-K140 IonicContact OD1-NZ 3.12Å; D76-K140 PolarHBondContact OD1-NZ 3.49Å; D76-K140 IonicContact OD2-NZ 3.77Å; D76-K140 PolarHBondContact OD2-NZ 2.83Å
77	T	92.4	Very high	92.8	Very high	74 Å²	74	55 Å²	55	45%	0.454	31%	0.309	S	S	.	.	H	α-helix	trans	-73.2	-34.9	176.1	42.5	0	0	0	0	112.9	W41 V51 E73 I74 I75	W41-T77 HydrophobicContact CE3-CG2 3.81Å; W41-T77 HydrophobicContact CZ3-CG2 3.55Å; V51-T77 WeakPolarHBondContact CG1-OG1 3.43Å; E73-T77 PolarHBondContact O-N 2.92Å; E73-T77 PolarHBondContact O-OG1 3.18Å; I74-T77 PolarHBondContact O-OG1 3.1Å; I75-T77 VanDerWaalsContact C-N 3.29Å; I75-T77 PolarHBondContact O-N 3.38Å
78	I	92.6	Very high	92.9	Very high	38 Å²	38	55.3 Å²	55.3	20%	0.195	31%	0.311	C	S	.	.	H	α-helix	trans	-82.6	-43.2	179.9	-62.1	168.9	0	0	0	112.2	V51 L59 I62 I74 I75	V51-I78 HydrophobicContact CG1-CD1 4.15Å; V51-I78 HydrophobicContact CG1-CG1 4Å; V51-I78 HydrophobicContact CG2-CD1 4.39Å; L59-I78 HydrophobicContact CB-CG2 4.28Å; L59-I78 HydrophobicContact CD1-CD1 3.94Å; L59-I78 HydrophobicContact CD1-CG2 4.41Å; I62-I78 HydrophobicContact CD1-CD1 3.79Å; I74-I78 HydrophobicContact CG2-CD1 4.1Å; I74-I78 WeakPolarHBondContact O-CD1 3.49Å; I74-I78 VanDerWaalsContact O-CG1 3.3Å; I74-I78 WeakPolarHBondContact O-CG1 3.49Å; I74-I78 PolarHBondContact O-N 3.15Å; I75-I78 PolarHBondContact O-N 2.91Å
79	L	89.6	Confident	92.8	Very high	21 Å²	21	54.8 Å²	54.8	11%	0.11	30%	0.299	C	S	.	.	H	α-helix	trans	-120.9	3.6	-169.9	-66.6	178.4	0	0	0	114.6	L59 I75 S81 S82 L83 H117 I143	L59-L79 HydrophobicContact CD2-CD1 4.01Å; I75-L79 HydrophobicContact CG2-CD1 4.4Å; I75-L79 PolarHBondContact O-N 2.85Å; L79-S81 PolarHBondContact O-N 3.18Å; L79-S82 PolarHBondContact O-N 3.45Å; L79-S82 PolarHBondContact O-OG 3.11Å; L79-S82 VanDerWaalsContact O-OG 3.05Å; L79-L83 HydrophobicContact CB-CD1 4.31Å; L79-L83 HydrophobicContact CD1-CD1 4.23Å; L79-L83 PolarHBondContact O-N 2.81Å; L79-H117 HydrophobicContact CD1-CB 4.37Å; L79-I143 HydrophobicContact CD1-CD1 3.85Å
80	G	80.2	Confident	92.8	Very high	43 Å²	43	57 Å²	57	44%	0.443	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-29.1	-163.1	0	0	0	0	0	116.7	D76	D76-G80 WeakPolarHBondContact O-CA 3.31Å; D76-G80 PolarHBondContact O-N 3.07Å
81	S	84.7	Confident	92.8	Very high	129 Å²	129	51.8 Å²	51.8	90%	0.902	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-25.5	178.6	54.7	0	0	0	0	114.6	L79	L79-S81 PolarHBondContact O-N 3.18Å
82	S	90.4	Very high	92.9	Very high	44 Å²	44	54.5 Å²	54.5	31%	0.308	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-20.2	-175.6	58.4	0	0	0	0	113.3	L79 K84	L79-S82 PolarHBondContact O-N 3.45Å; L79-S82 PolarHBondContact O-OG 3.11Å; L79-S82 VanDerWaalsContact O-OG 3.05Å; S82-K84 PolarHBondContact O-N 3.37Å
83	L	92.2	Very high	93	Very high	25 Å²	25	56.1 Å²	56.1	13%	0.131	32%	0.318	C	S	.	.			trans	-70.1	121.9	-174.6	-152.6	83.5	0	0	0	111.3	I75 L79 M111 K140 I143	I75-L83 HydrophobicContact CG2-CD1 4.4Å; I75-L83 HydrophobicContact CG2-CD2 4.34Å; L79-L83 HydrophobicContact CB-CD1 4.31Å; L79-L83 HydrophobicContact CD1-CD1 4.23Å; L79-L83 PolarHBondContact O-N 2.81Å; L83-M111 HydrophobicContact CD2-CE 3.15Å; L83-M111 HydrophobicContact CD2-SD 4.25Å; L83-M111 HydrophobicContact CG-CE 3.76Å; L83-K140 HydrophobicContact CD2-CD 4.4Å; L83-K140 HydrophobicContact CD2-CG 4Å; L83-I143 HydrophobicContact CD1-CD1 3.92Å
84	K	95.1	Very high	93.1	Very high	129 Å²	129	58.4 Å²	58.4	56%	0.561	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.1	172.9	-65.7	179.9	-177.4	173.3	0	110.1	S82 M111 G112	S82-K84 PolarHBondContact O-N 3.37Å; K84-M111 VanDerWaalsContact O-CA 3.27Å; K84-M111 WeakPolarHBondContact O-CA 3.38Å; K84-G112 PolarHBondContact N-O 3.07Å; K84-G112 PolarHBondContact O-N 3.35Å
85	D	94.8	Very high	93.2	Very high	88 Å²	88	64.6 Å²	64.6	47%	0.471	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	142.4	170.2	58.6	-58.4	0	0	0	112.3	V109 M111 I136	D85-V109 HydrophobicContact CB-CG1 4.31Å; D85-M111 HydrophobicContact CB-CE 3.97Å; D85-M111 HydrophobicContact CB-CG 3.96Å; D85-M111 HydrophobicContact CB-SD 4.41Å; D85-I136 HydrophobicContact CB-CD1 4.44Å; D85-I136 HydrophobicContact CB-CG1 4.3Å
86	E	95.3	Very high	93.4	Very high	58 Å²	58	70.8 Å²	70.8	27%	0.271	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	123.6	172.1	-167.9	176.8	-170.6	0	0	110.9	L88 V109 A110 K193 M197	E86-L88 PolarHBondContact O-N 2.96Å; E86-V109 WeakPolarHBondContact O-CA 3.37Å; E86-A110 PolarHBondContact N-O 3.33Å; E86-A110 PolarHBondContact O-N 3.26Å; E86-K193 WeakPolarHBondContact OE1-CD 3.15Å; E86-K193 WeakPolarHBondContact OE1-CE 3.35Å; E86-K193 IonicContact OE1-NZ 3.76Å; E86-K193 PolarHBondContact OE1-NZ 3.28Å; E86-K193 WeakPolarHBondContact OE2-CB 3.49Å; E86-K193 WeakPolarHBondContact OE2-CG 3.35Å; E86-M197 HydrophobicContact CB-CE 4.09Å; E86-M197 HydrophobicContact CB-SD 4.07Å
87	V	95.9	Very high	93.5	Very high	51 Å²	51	70.8 Å²	70.8	31%	0.309	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	113.7	174.4	-173.8	0	0	0	0	108.9	I90 V109 I132	V87-I90 HydrophobicContact CG1-CD1 4.19Å; V87-I90 HydrophobicContact CG1-CG1 3.91Å; V87-V109 HydrophobicContact CG1-CG2 4.47Å; V87-V109 HydrophobicContact CG2-CG2 4.16Å; V87-I132 HydrophobicContact CG2-CD1 4.48Å; V87-I132 HydrophobicContact CG2-CG2 4.11Å
88	L	94.8	Very high	93.6	Very high	26 Å²	26	74.4 Å²	74.4	14%	0.136	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-49.4	-178.2	-64.3	178	0	0	0	111.9	E86 I108 A110 L120 V190 K193 L194 A218	E86-L88 PolarHBondContact O-N 2.96Å; L88-I108 HydrophobicContact CB-CG2 4.26Å; L88-I108 HydrophobicContact CD1-CG2 4.03Å; L88-I108 PolarHBondContact N-O 3.2Å; L88-A110 HydrophobicContact CD1-CB 3.85Å; L88-A110 HydrophobicContact CD2-CB 4.49Å; L88-A110 HydrophobicContact CG-CB 4.12Å; L88-L120 HydrophobicContact CD1-CD1 4.19Å; L88-V190 HydrophobicContact CD1-CG1 4.26Å; L88-K193 HydrophobicContact CD2-CB 4.04Å; L88-K193 HydrophobicContact CD2-CD 3.94Å; L88-L194 HydrophobicContact CD1-CG 4.39Å; L88-A218 HydrophobicContact CD1-CB 4.25Å
89	K	94.4	Very high	93.7	Very high	80 Å²	80	77.4 Å²	77.4	35%	0.348	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	141.3	179.7	-159.6	-168.9	-164.3	166.4	0	111.4	M91 I108 L214	K89-M91 HydrophobicContact CD-CE 3.85Å; K89-I108 PolarHBondContact N-O 3.27Å; K89-I108 PolarHBondContact O-N 2.91Å; K89-L214 HydrophobicContact CB-CD1 4.32Å; K89-L214 HydrophobicContact CD-CB 4.09Å; K89-L214 HydrophobicContact CD-CD1 3.58Å; K89-L214 HydrophobicContact CD-CG 4.3Å; K89-L214 HydrophobicContact CG-CD1 4.16Å
90	I	96	Very high	93.9	Very high	73 Å²	73	78 Å²	78	37%	0.374	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.3	165.3	-57.7	161.9	0	0	0	107.2	V87 F105 K106 V128 I132	V87-I90 HydrophobicContact CG1-CD1 4.19Å; V87-I90 HydrophobicContact CG1-CG1 3.91Å; I90-F105 HydrophobicContact CG2-CB 4.37Å; I90-F105 HydrophobicContact CG2-CD1 4.29Å; I90-K106 WeakPolarHBondContact CA-O 3.26Å; I90-V128 HydrophobicContact CD1-CG1 3.8Å; I90-V128 HydrophobicContact CG2-CG1 4.28Å; I90-I132 HydrophobicContact CD1-CD1 4.18Å
91	M	95.3	Very high	94.6	Very high	42 Å²	42	82 Å²	82	21%	0.207	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.5	175.5	64.9	-178.2	68.2	0	0	110.7	K89 V93 K106 I108	K89-M91 HydrophobicContact CD-CE 3.85Å; M91-V93 HydrophobicContact CG-CG1 4.33Å; M91-K106 HydrophobicContact CG-CB 3.71Å; M91-K106 HydrophobicContact CG-CD 4.29Å; M91-K106 HydrophobicContact CG-CG 4.26Å; M91-K106 PolarHBondContact N-O 3.31Å; M91-K106 PolarHBondContact O-N 3.37Å; M91-K106 HydrophobicContact SD-CB 4.42Å; M91-K106 HydrophobicContact SD-CD 3.9Å; M91-K106 HydrophobicContact SD-CG 4.45Å; M91-I108 HydrophobicContact CE-CD1 3.89Å
92	P	96.7	Very high	95	Very high	81 Å²	81	81.8 Å²	81.8	53%	0.526	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	133.8	168.3	30.6	-32.4	0	0	0	109.2	R104 F105	P92-R104 CarbonylContact C-O 3.57Å; P92-R104 WeakPolarHBondContact CA-O 3.48Å; P92-F105 HydrophobicContact CB-CD1 4.32Å; P92-F105 HydrophobicContact CB-CE1 4.18Å
93	V	96.4	Very high	95.3	Very high	47 Å²	47	83 Å²	83	29%	0.285	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.9	171.2	-66.6	0	0	0	0	107.9	M91 R104 K106	M91-V93 HydrophobicContact CG-CG1 4.33Å; V93-R104 HydrophobicContact CG2-CB 3.9Å; V93-R104 WeakPolarHBondContact CG2-O 3.19Å; V93-R104 PolarHBondContact N-O 2.81Å; V93-R104 PolarHBondContact O-N 3.47Å; V93-R104 VanDerWaalsContact O-O 3.1Å; V93-K106 HydrophobicContact CG1-CB 4.13Å; V93-K106 HydrophobicContact CG2-CB 4.46Å
94	Q	96.1	Very high	95.6	Very high	121 Å²	121	86.8 Å²	86.8	57%	0.565	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.3	-171.3	-50.7	-172.5	5.3	0	0	110.1	T103	Q94-T103 HydrophobicContact CG-CG2 4Å
95	K	96.9	Very high	95.7	Very high	131 Å²	131	83.5 Å²	83.5	57%	0.57	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.2	168.8	-179.9	177.2	179.4	179.4	0	108.4	T97 R102	K95-T97 HydrophobicContact CG-CG2 4.48Å; K95-R102 PolarHBondContact N-O 3.44Å; K95-R102 PolarHBondContact O-N 3.31Å
96	Q	97.2	Very high	95.8	Very high	130 Å²	130	82 Å²	82	61%	0.607	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.8	170.8	-166.7	66	8.7	0	0	109.8
97	T	95.7	Very high	95.9	Very high	55 Å²	55	79.3 Å²	79.3	34%	0.337	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	168.3	175.5	61.1	0	0	0	0	110	K95 A99 G100 R102	K95-T97 HydrophobicContact CG-CG2 4.48Å; T97-A99 PolarHBondContact O-N 3.06Å; T97-G100 WeakPolarHBondContact CA-O 3.3Å; T97-G100 PolarHBondContact N-O 2.95Å; T97-G100 PolarHBondContact O-N 2.66Å; T97-G100 PolarHBondContact OG1-O 2.69Å; T97-R102 HydrophobicContact CG2-CB 4.44Å
98	C	95.7	Very high	96	Very high	151 Å²	151	77 Å²	77	100%	1.02	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.2	177.6	-53.1	0	0	0	0	112.1
99	A	94.1	Very high	96.1	Very high	100 Å²	100	75.7 Å²	75.7	83%	0.826	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	52.3	177	0	0	0	0	0	111.9	T97	T97-A99 PolarHBondContact O-N 3.06Å
100	G	93.8	Very high	96.2	Very high	33 Å²	33	71.9 Å²	71.9	34%	0.34	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.2	-157.6	174.1	0	0	0	0	0	115.2	T97	T97-G100 WeakPolarHBondContact CA-O 3.3Å; T97-G100 PolarHBondContact N-O 2.95Å; T97-G100 PolarHBondContact O-N 2.66Å; T97-G100 PolarHBondContact OG1-O 2.69Å
101	Q	94.1	Very high	96.2	Very high	127 Å²	127	68.8 Å²	68.8	59%	0.593	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	127	-173.2	-75	175.3	5.8	0	0	112.1
102	R	94.9	Very high	96.2	Very high	126 Å²	126	66.8 Å²	66.8	48%	0.475	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	104.5	170.2	-174.4	170.5	175.3	174	-4.5	110.3	K95 T97	K95-R102 PolarHBondContact N-O 3.44Å; K95-R102 PolarHBondContact O-N 3.31Å; T97-R102 HydrophobicContact CG2-CB 4.44Å
103	T	96	Very high	96	Very high	69 Å²	69	63.8 Å²	63.8	42%	0.423	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	143.7	175	56	0	0	0	0	110.7	Q94	Q94-T103 HydrophobicContact CG-CG2 4Å
104	R	97.6	Very high	95.8	Very high	104 Å²	104	65.5 Å²	65.5	39%	0.392	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	159	169.2	-73	-169	-73	-176.8	-2.4	108.1	P92 V93 A125	P92-R104 CarbonylContact C-O 3.57Å; P92-R104 WeakPolarHBondContact CA-O 3.48Å; V93-R104 HydrophobicContact CG2-CB 3.9Å; V93-R104 WeakPolarHBondContact CG2-O 3.19Å; V93-R104 PolarHBondContact N-O 2.81Å; V93-R104 PolarHBondContact O-N 3.47Å; V93-R104 VanDerWaalsContact O-O 3.1Å; R104-A125 CarbonylContact C-O 3.56Å; R104-A125 WeakPolarHBondContact CA-O 3.26Å; R104-A125 VanDerWaalsContact CB-O 3.29Å; R104-A125 WeakPolarHBondContact CB-O 3.41Å
105	F	97.5	Very high	95.7	Very high	61 Å²	61	64.5 Å²	64.5	27%	0.268	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.8	175.6	-62.4	-81.2	0	0	0	109.9	I90 P92 C124 A125 K126 V128	I90-F105 HydrophobicContact CG2-CB 4.37Å; I90-F105 HydrophobicContact CG2-CD1 4.29Å; P92-F105 HydrophobicContact CB-CD1 4.32Å; P92-F105 HydrophobicContact CB-CE1 4.18Å; F105-C124 VanDerWaalsContact O-CA 3.27Å; F105-C124 WeakPolarHBondContact O-CA 3.4Å; F105-A125 PolarHBondContact N-O 2.75Å; F105-A125 PolarHBondContact O-N 2.91Å; F105-K126 WeakPolarHBondContact CD2-O 3.06Å; F105-V128 HydrophobicContact CB-CG2 4.04Å; F105-V128 HydrophobicContact CD1-CG2 3.86Å; F105-V128 HydrophobicContact CD2-CG2 3.64Å; F105-V128 HydrophobicContact CE1-CG2 4.2Å; F105-V128 HydrophobicContact CE2-CG2 4Å; F105-V128 HydrophobicContact CG-CG2 3.55Å; F105-V128 HydrophobicContact CZ-CG2 4.26Å
106	K	97.5	Very high	95.5	Very high	56 Å²	56	59.4 Å²	59.4	24%	0.243	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.5	171.3	-179.7	173.9	-179	-176.9	0	108.4	I90 M91 V93 V122 K123 C124	I90-K106 WeakPolarHBondContact CA-O 3.26Å; M91-K106 HydrophobicContact CG-CB 3.71Å; M91-K106 HydrophobicContact CG-CD 4.29Å; M91-K106 HydrophobicContact CG-CG 4.26Å; M91-K106 PolarHBondContact N-O 3.31Å; M91-K106 PolarHBondContact O-N 3.37Å; M91-K106 HydrophobicContact SD-CB 4.42Å; M91-K106 HydrophobicContact SD-CD 3.9Å; M91-K106 HydrophobicContact SD-CG 4.45Å; V93-K106 HydrophobicContact CG1-CB 4.13Å; V93-K106 HydrophobicContact CG2-CB 4.46Å; K106-V122 HydrophobicContact CD-CG1 4.23Å; K106-V122 HydrophobicContact CG-CG1 4.06Å; K106-K123 CarbonylContact C-O 3.59Å; K106-K123 WeakPolarHBondContact CA-O 3.42Å; K106-C124 VanDerWaalsContact CB-SG 3.55Å; K106-C124 VanDerWaalsContact CG-SG 3.57Å
107	A	97.5	Very high	95.4	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.9	174.3	0	0	0	0	0	109.1	V122 K123 A131 I132 A135	A107-V122 WeakPolarHBondContact O-CA 3.37Å; A107-K123 PolarHBondContact N-O 2.92Å; A107-K123 PolarHBondContact O-N 3.46Å; A107-K123 VanDerWaalsContact O-N 3.1Å; A107-A131 HydrophobicContact CB-CB 3.96Å; A107-I132 HydrophobicContact CB-CG1 4.07Å; A107-A135 HydrophobicContact CB-CB 4.28Å
108	I	97.1	Very high	95.4	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.3	169.4	-58.7	163	0	0	0	106.1	L88 K89 M91 L120 G121 V122 A218	L88-I108 HydrophobicContact CB-CG2 4.26Å; L88-I108 HydrophobicContact CD1-CG2 4.03Å; L88-I108 PolarHBondContact N-O 3.2Å; K89-I108 PolarHBondContact N-O 3.27Å; K89-I108 PolarHBondContact O-N 2.91Å; M91-I108 HydrophobicContact CE-CD1 3.89Å; I108-L120 HydrophobicContact CG2-CD1 3.96Å; I108-G121 WeakPolarHBondContact CA-O 3.4Å; I108-V122 HydrophobicContact CG1-CG1 4.21Å; I108-V122 HydrophobicContact CG1-CG2 4.16Å; I108-V122 HydrophobicContact CG2-CG2 4.24Å; I108-A218 HydrophobicContact CG2-CB 4.47Å
109	V	97.2	Very high	95.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.1	-178.2	-179.5	0	0	0	0	107.7	D85 E86 V87 M111 G121 I132 A135 I136	D85-V109 HydrophobicContact CB-CG1 4.31Å; E86-V109 WeakPolarHBondContact O-CA 3.37Å; V87-V109 HydrophobicContact CG1-CG2 4.47Å; V87-V109 HydrophobicContact CG2-CG2 4.16Å; V109-M111 HydrophobicContact CG1-CG 4.31Å; V109-G121 PolarHBondContact N-O 3.05Å; V109-G121 PolarHBondContact O-N 3.19Å; V109-I132 HydrophobicContact CG2-CG2 4.48Å; V109-A135 HydrophobicContact CB-CB 3.94Å; V109-A135 HydrophobicContact CG2-CB 3.57Å; V109-I136 HydrophobicContact CG1-CG1 3.98Å
110	A	96.5	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.5	168.4	0	0	0	0	0	108.7	E86 L88 G119 L120 L194 M197	E86-A110 PolarHBondContact N-O 3.33Å; E86-A110 PolarHBondContact O-N 3.26Å; L88-A110 HydrophobicContact CD1-CB 3.85Å; L88-A110 HydrophobicContact CD2-CB 4.49Å; L88-A110 HydrophobicContact CG-CB 4.12Å; A110-G119 WeakPolarHBondContact CA-O 2.75Å; A110-L120 HydrophobicContact CB-CD1 4.32Å; A110-L194 HydrophobicContact CB-CD2 3.49Å; A110-L194 VanDerWaalsContact CB-CD2 3.49Å; A110-L194 HydrophobicContact CB-CG 4.4Å; A110-M197 HydrophobicContact CB-CE 3.29Å; A110-M197 HydrophobicContact CB-SD 3.92Å
111	M	95.5	Very high	95.8	Very high	7 Å²	7	38.9 Å²	38.9	3%	0.034	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.1	177.5	-66.7	-168.3	77.4	0	0	109.3	L83 K84 D85 V109 V118 G119 I136 A139 K140	L83-M111 HydrophobicContact CD2-CE 3.15Å; L83-M111 HydrophobicContact CD2-SD 4.25Å; L83-M111 HydrophobicContact CG-CE 3.76Å; K84-M111 VanDerWaalsContact O-CA 3.27Å; K84-M111 WeakPolarHBondContact O-CA 3.38Å; D85-M111 HydrophobicContact CB-CE 3.97Å; D85-M111 HydrophobicContact CB-CG 3.96Å; D85-M111 HydrophobicContact CB-SD 4.41Å; V109-M111 HydrophobicContact CG1-CG 4.31Å; M111-V118 CarbonylContact O-C 3.56Å; M111-V118 WeakPolarHBondContact O-CA 3.43Å; M111-G119 PolarHBondContact N-O 2.86Å; M111-G119 PolarHBondContact O-N 3.08Å; M111-I136 HydrophobicContact CE-CG2 3.99Å; M111-I136 HydrophobicContact SD-CB 4.22Å; M111-I136 HydrophobicContact SD-CG2 3.64Å; M111-A139 HydrophobicContact CB-CB 4.09Å; M111-A139 HydrophobicContact CG-CB 3.64Å; M111-A139 HydrophobicContact SD-CB 3.81Å; M111-K140 HydrophobicContact CE-CG 4.2Å; M111-K140 HydrophobicContact SD-CG 3.78Å
112	G	95.2	Very high	95.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	165.4	174.1	0	0	0	0	0	112.9	K84 H117	K84-G112 PolarHBondContact N-O 3.07Å; K84-G112 PolarHBondContact O-N 3.35Å; G112-H117 WeakPolarHBondContact CA-O 3.33Å
113	D	93.2	Very high	96	Very high	19 Å²	19	33.1 Å²	33.1	10%	0.102	16%	0.161	C	C	.	.			trans	-104.4	4.8	-176.7	68.1	-15.8	0	0	0	113.1	N115 H117	D113-N115 PolarHBondContact O-N 3.02Å; D113-N115 VanDerWaalsContact O-N 3.08Å; D113-N115 WeakPolarHBondContact OD1-CA 3.22Å; D113-N115 PolarHBondContact OD1-N 3.41Å; D113-H117 PolarHBondContact N-O 2.91Å; D113-H117 WeakPolarHBondContact OD1-CB 3.49Å; D113-H117 IonicContact OD1-CG 2.76Å; D113-H117 PolarHBondContact OD1-N 3.47Å; D113-H117 IonicContact OD1-ND1 3.44Å; D113-H117 IonicContact OD2-CE1 2.63Å; D113-H117 IonicContact OD2-CG 2.79Å; D113-H117 IonicContact OD2-ND1 3.82Å; D113-H117 PolarHBondContact OD2-ND1 2.8Å
114	H	93.4	Very high	96.1	Very high	82 Å²	82	32.3 Å²	32.3	38%	0.38	16%	0.157	S	C	.	.	S	Bend	trans	59.1	12.4	-171.9	-54.2	64.5	0	0	0	113.2	Q196 M197 G199	H114-Q196 PolarHBondContact CD2-O 2.79Å; H114-Q196 VanDerWaalsContact CD2-O 3.28Å; H114-M197 VanDerWaalsContact CA-O 3.27Å; H114-M197 WeakPolarHBondContact CA-O 3.29Å; H114-M197 PolarHBondContact N-O 3.04Å; H114-G199 WeakPolarHBondContact O-CA 3.49Å
115	N	92.3	Very high	96.1	Very high	100 Å²	100	28.3 Å²	28.3	54%	0.535	15%	0.147	S	C	.	.	S	Bend	trans	-133.7	61	-178.2	-168.9	32.7	0	0	0	110.3	D113 H117	D113-N115 PolarHBondContact O-N 3.02Å; D113-N115 VanDerWaalsContact O-N 3.08Å; D113-N115 WeakPolarHBondContact OD1-CA 3.22Å; D113-N115 PolarHBondContact OD1-N 3.41Å; N115-H117 VanDerWaalsContact C-N 3.31Å; N115-H117 PolarHBondContact O-CE1 3.01Å; N115-H117 PolarHBondContact O-N 3.41Å; N115-H117 PolarHBondContact O-ND1 3.05Å; N115-H117 VanDerWaalsContact O-ND1 3.07Å
116	C	93.8	Very high	96	Very high	25 Å²	25	32 Å²	32	17%	0.169	16%	0.163	C	C	.	.	S	Bend	trans	70.1	15.3	173	-50	0	0	0	0	116	P145 V146 K148 A198	C116-P145 CarbonylContact O-C 3.52Å; C116-P145 WeakPolarHBondContact O-CA 3.47Å; C116-V146 HydrophobicContact CB-CB 4.31Å; C116-V146 VanDerWaalsContact CB-O 3.31Å; C116-V146 WeakPolarHBondContact CB-O 3.12Å; C116-V146 PolarHBondContact O-N 3.48Å; C116-K148 WeakPolarHBondContact SG-CE 3.38Å; C116-A198 VanDerWaalsContact CA-O 3.25Å; C116-A198 WeakPolarHBondContact CA-O 3.24Å; C116-A198 PolarHBondContact N-O 3.31Å
117	H	95.1	Very high	95.9	Very high	21 Å²	21	35.2 Å²	35.2	10%	0.097	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.5	172.4	-54.7	99.5	0	0	0	111.5	Y63 L79 G112 D113 N115 I143	Y63-H117 AromaticContact CE2-CD2 3.87Å; Y63-H117 AromaticContact CE2-NE2 3.99Å; L79-H117 HydrophobicContact CD1-CB 4.37Å; G112-H117 WeakPolarHBondContact CA-O 3.33Å; D113-H117 PolarHBondContact N-O 2.91Å; D113-H117 WeakPolarHBondContact OD1-CB 3.49Å; D113-H117 IonicContact OD1-CG 2.76Å; D113-H117 PolarHBondContact OD1-N 3.47Å; D113-H117 IonicContact OD1-ND1 3.44Å; D113-H117 IonicContact OD2-CE1 2.63Å; D113-H117 IonicContact OD2-CG 2.79Å; D113-H117 IonicContact OD2-ND1 3.82Å; D113-H117 PolarHBondContact OD2-ND1 2.8Å; N115-H117 VanDerWaalsContact C-N 3.31Å; N115-H117 PolarHBondContact O-CE1 3.01Å; N115-H117 PolarHBondContact O-N 3.41Å; N115-H117 PolarHBondContact O-ND1 3.05Å; N115-H117 VanDerWaalsContact O-ND1 3.07Å; H117-I143 HydrophobicContact CB-CD1 3.9Å; H117-I143 HydrophobicContact CB-CG1 4Å
118	V	96	Very high	95.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.2	174.4	-179.9	0	0	0	0	111.2	M111 I144 V146 L194 M197 A198 Y222	M111-V118 CarbonylContact O-C 3.56Å; M111-V118 WeakPolarHBondContact O-CA 3.43Å; V118-I144 PolarHBondContact N-O 2.71Å; V118-I144 VanDerWaalsContact N-O 3.15Å; V118-I144 PolarHBondContact O-N 3.49Å; V118-V146 HydrophobicContact CG2-CG2 4.21Å; V118-L194 HydrophobicContact CG1-CD2 3.97Å; V118-M197 HydrophobicContact CG2-CB 4.34Å; V118-A198 HydrophobicContact CG2-CB 3.43Å; V118-A198 VanDerWaalsContact CG2-CB 3.43Å; V118-A198 VanDerWaalsContact CG2-N 3.26Å; V118-Y222 HydrophobicContact CG1-CD2 4.33Å
119	G	96.5	Very high	95.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.8	168.6	0	0	0	0	0	112	A110 M111 A139 S142	A110-G119 WeakPolarHBondContact CA-O 2.75Å; M111-G119 PolarHBondContact N-O 2.86Å; M111-G119 PolarHBondContact O-N 3.08Å; G119-A139 VanDerWaalsContact CA-O 3.3Å; G119-A139 WeakPolarHBondContact CA-O 3.3Å; G119-S142 WeakPolarHBondContact CA-O 2.96Å
120	L	97.1	Very high	95.9	Very high	15 Å²	15	42.2 Å²	42.2	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121	173.9	-177.4	73.3	0	0	0	110.1	L88 I108 A110 S142 L194 A218 K219 Y222	L88-L120 HydrophobicContact CD1-CD1 4.19Å; I108-L120 HydrophobicContact CG2-CD1 3.96Å; A110-L120 HydrophobicContact CB-CD1 4.32Å; L120-S142 PolarHBondContact N-OG 2.76Å; L120-S142 PolarHBondContact O-OG 3.02Å; L120-L194 HydrophobicContact CD1-CD2 4.45Å; L120-A218 HydrophobicContact CD1-CB 4.24Å; L120-A218 HydrophobicContact CD2-CB 4.3Å; L120-K219 HydrophobicContact CD2-CB 4.44Å; L120-K219 HydrophobicContact CD2-CG 3.8Å; L120-Y222 HydrophobicContact CB-CD2 3.75Å; L120-Y222 HydrophobicContact CB-CE2 4.02Å; L120-Y222 HydrophobicContact CB-CG 4.05Å; L120-Y222 HydrophobicContact CD2-CG 4.29Å
121	G	97	Very high	96	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.7	-179.8	0	0	0	0	0	112.1	I108 V109 A135	I108-G121 WeakPolarHBondContact CA-O 3.4Å; V109-G121 PolarHBondContact N-O 3.05Å; V109-G121 PolarHBondContact O-N 3.19Å; G121-A135 WeakPolarHBondContact CA-O 3.35Å
122	V	97.1	Very high	96.1	Very high	30 Å²	30	43.7 Å²	43.7	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	105.2	177.9	-176.4	0	0	0	0	110	K106 A107 I108 Q138	K106-V122 HydrophobicContact CD-CG1 4.23Å; K106-V122 HydrophobicContact CG-CG1 4.06Å; A107-V122 WeakPolarHBondContact O-CA 3.37Å; I108-V122 HydrophobicContact CG1-CG1 4.21Å; I108-V122 HydrophobicContact CG1-CG2 4.16Å; I108-V122 HydrophobicContact CG2-CG2 4.24Å; V122-Q138 PolarHBondContact O-OE1 3.17Å
123	K	97.8	Very high	96.1	Very high	102 Å²	102	51.6 Å²	51.6	44%	0.443	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.6	-178.8	-163.2	72.1	175.5	-171.1	0	111.6	K106 A107 A135	K106-K123 CarbonylContact C-O 3.59Å; K106-K123 WeakPolarHBondContact CA-O 3.42Å; A107-K123 PolarHBondContact N-O 2.92Å; A107-K123 PolarHBondContact O-N 3.46Å; A107-K123 VanDerWaalsContact O-N 3.1Å; K123-A135 HydrophobicContact CB-CB 3.91Å
124	C	96.7	Very high	96.3	Very high	53 Å²	53	51.4 Å²	51.4	36%	0.358	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.4	171.3	-59.9	0	0	0	0	110	F105 K106	F105-C124 VanDerWaalsContact O-CA 3.27Å; F105-C124 WeakPolarHBondContact O-CA 3.4Å; K106-C124 VanDerWaalsContact CB-SG 3.55Å; K106-C124 VanDerWaalsContact CG-SG 3.57Å
125	A	97.4	Very high	96.5	Very high	20 Å²	20	47.5 Å²	47.5	17%	0.165	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	173.5	174.5	0	0	0	0	0	111.5	R104 F105 T130 A131	R104-A125 CarbonylContact C-O 3.56Å; R104-A125 WeakPolarHBondContact CA-O 3.26Å; R104-A125 VanDerWaalsContact CB-O 3.29Å; R104-A125 WeakPolarHBondContact CB-O 3.41Å; F105-A125 PolarHBondContact N-O 2.75Å; F105-A125 PolarHBondContact O-N 2.91Å; A125-T130 WeakPolarHBondContact CB-OG1 3.38Å; A125-A131 HydrophobicContact CB-CB 3.8Å
126	K	96.3	Very high	96.7	Very high	139 Å²	139	44.3 Å²	44.3	60%	0.604	23%	0.231	S	C	*	.	S	Bend	trans	-71.5	-36.6	176	-68.8	-176.9	-179.4	179.6	0	111.7	F105	F105-K126 WeakPolarHBondContact CD2-O 3.06Å
127	E	96	Very high	96.8	Very high	122 Å²	122	46.9 Å²	46.9	57%	0.57	24%	0.242	S	C	*	.	S	Bend	trans	-110	150.7	179.4	-62.6	172.3	-178.3	0	0	110.4	T130 A131	E127-T130 HydrophobicContact CB-CG2 4.45Å; E127-T130 PolarHBondContact O-OG1 3.06Å; E127-A131 PolarHBondContact O-N 2.74Å; E127-A131 VanDerWaalsContact O-N 3.14Å
128	V	97.2	Very high	96.9	Very high	50 Å²	50	49.6 Å²	49.6	30%	0.303	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-46.7	-178.7	178.8	0	0	0	0	111.3	I90 F105 T130 A131 I132	I90-V128 HydrophobicContact CD1-CG1 3.8Å; I90-V128 HydrophobicContact CG2-CG1 4.28Å; F105-V128 HydrophobicContact CB-CG2 4.04Å; F105-V128 HydrophobicContact CD1-CG2 3.86Å; F105-V128 HydrophobicContact CD2-CG2 3.64Å; F105-V128 HydrophobicContact CE1-CG2 4.2Å; F105-V128 HydrophobicContact CE2-CG2 4Å; F105-V128 HydrophobicContact CG-CG2 3.55Å; F105-V128 HydrophobicContact CZ-CG2 4.26Å; V128-T130 VanDerWaalsContact C-N 3.33Å; V128-T130 PolarHBondContact O-N 3.35Å; V128-A131 WeakPolarHBondContact O-CB 3.19Å; V128-A131 PolarHBondContact O-N 3.03Å; V128-A131 VanDerWaalsContact O-N 3.15Å; V128-I132 HydrophobicContact CG1-CD1 3.82Å; V128-I132 HydrophobicContact CG1-CG1 4.41Å; V128-I132 WeakPolarHBondContact O-CG1 3.31Å; V128-I132 PolarHBondContact O-N 3.07Å
129	A	96.9	Very high	97	Very high	47 Å²	47	49.5 Å²	49.5	39%	0.388	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-39.8	-177.5	0	0	0	0	0	112.5	I132 R133	A129-I132 PolarHBondContact O-N 2.79Å; A129-R133 WeakPolarHBondContact O-CG 3.41Å; A129-R133 PolarHBondContact O-N 2.63Å; A129-R133 VanDerWaalsContact O-N 3.08Å
130	T	97.1	Very high	96.9	Very high	53 Å²	53	50.9 Å²	50.9	33%	0.325	26%	0.26	S	S	.	.	H	α-helix	trans	-70.4	-34.4	176.8	56	0	0	0	0	112.1	A125 E127 V128 G134	A125-T130 WeakPolarHBondContact CB-OG1 3.38Å; E127-T130 HydrophobicContact CB-CG2 4.45Å; E127-T130 PolarHBondContact O-OG1 3.06Å; V128-T130 VanDerWaalsContact C-N 3.33Å; V128-T130 PolarHBondContact O-N 3.35Å; T130-G134 PolarHBondContact O-N 2.97Å
131	A	97.6	Very high	96.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-44.6	173.2	0	0	0	0	0	111.5	A107 A125 E127 V128 G134 A135	A107-A131 HydrophobicContact CB-CB 3.96Å; A125-A131 HydrophobicContact CB-CB 3.8Å; E127-A131 PolarHBondContact O-N 2.74Å; E127-A131 VanDerWaalsContact O-N 3.14Å; V128-A131 WeakPolarHBondContact O-CB 3.19Å; V128-A131 PolarHBondContact O-N 3.03Å; V128-A131 VanDerWaalsContact O-N 3.15Å; A131-G134 PolarHBondContact O-N 2.68Å; A131-A135 VanDerWaalsContact O-CB 3.3Å; A131-A135 WeakPolarHBondContact O-CB 3.25Å; A131-A135 PolarHBondContact O-N 3.13Å
132	I	97.4	Very high	96.8	Very high	38 Å²	38	54.6 Å²	54.6	20%	0.195	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-50.9	179.1	-65.7	167.8	0	0	0	110.5	V87 I90 A107 V109 V128 A129 G134 A135 I136	V87-I132 HydrophobicContact CG2-CD1 4.48Å; V87-I132 HydrophobicContact CG2-CG2 4.11Å; I90-I132 HydrophobicContact CD1-CD1 4.18Å; A107-I132 HydrophobicContact CB-CG1 4.07Å; V109-I132 HydrophobicContact CG2-CG2 4.48Å; V128-I132 HydrophobicContact CG1-CD1 3.82Å; V128-I132 HydrophobicContact CG1-CG1 4.41Å; V128-I132 WeakPolarHBondContact O-CG1 3.31Å; V128-I132 PolarHBondContact O-N 3.07Å; A129-I132 PolarHBondContact O-N 2.79Å; I132-G134 VanDerWaalsContact C-N 3.3Å; I132-G134 PolarHBondContact O-N 3.09Å; I132-A135 WeakPolarHBondContact O-CB 3.36Å; I132-A135 PolarHBondContact O-N 2.65Å; I132-I136 HydrophobicContact CG2-CD1 3.9Å; I132-I136 HydrophobicContact CG2-CG1 4.41Å; I132-I136 WeakPolarHBondContact O-CG1 3.03Å; I132-I136 PolarHBondContact O-N 2.87Å
133	R	96.6	Very high	96.7	Very high	165 Å²	165	53.8 Å²	53.8	62%	0.623	28%	0.277	S	S	*	.	H	α-helix	trans	-56.5	-44.4	177.6	-69	177.8	-165.7	139	3.1	112.2	A129 A135 I136 I137	A129-R133 WeakPolarHBondContact O-CG 3.41Å; A129-R133 PolarHBondContact O-N 2.63Å; A129-R133 VanDerWaalsContact O-N 3.08Å; R133-A135 VanDerWaalsContact C-N 3.33Å; R133-A135 PolarHBondContact O-N 3.15Å; R133-I136 PolarHBondContact O-N 2.96Å; R133-I137 WeakPolarHBondContact O-CG1 3.39Å; R133-I137 PolarHBondContact O-N 3.36Å; R133-I137 VanDerWaalsContact O-N 3.1Å
134	G	96.8	Very high	96.6	Very high	16 Å²	16	50 Å²	50	17%	0.165	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-31.1	177.1	0	0	0	0	0	113.6	T130 A131 I132 Q138	T130-G134 PolarHBondContact O-N 2.97Å; A131-G134 PolarHBondContact O-N 2.68Å; I132-G134 VanDerWaalsContact C-N 3.3Å; I132-G134 PolarHBondContact O-N 3.09Å; G134-Q138 WeakPolarHBondContact O-CB 3.32Å; G134-Q138 PolarHBondContact O-N 3.34Å; G134-Q138 VanDerWaalsContact O-N 3.11Å
135	A	97.6	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-72	-38.3	174.5	0	0	0	0	0	111.6	A107 V109 G121 K123 A131 I132 R133 Q138 A139	A107-A135 HydrophobicContact CB-CB 4.28Å; V109-A135 HydrophobicContact CB-CB 3.94Å; V109-A135 HydrophobicContact CG2-CB 3.57Å; G121-A135 WeakPolarHBondContact CA-O 3.35Å; K123-A135 HydrophobicContact CB-CB 3.91Å; A131-A135 VanDerWaalsContact O-CB 3.3Å; A131-A135 WeakPolarHBondContact O-CB 3.25Å; A131-A135 PolarHBondContact O-N 3.13Å; I132-A135 WeakPolarHBondContact O-CB 3.36Å; I132-A135 PolarHBondContact O-N 2.65Å; R133-A135 VanDerWaalsContact C-N 3.33Å; R133-A135 PolarHBondContact O-N 3.15Å; A135-Q138 PolarHBondContact O-N 3.42Å; A135-A139 WeakPolarHBondContact O-CB 3.4Å; A135-A139 PolarHBondContact O-N 3.4Å
136	I	96.8	Very high	96.4	Very high	32 Å²	32	48 Å²	48	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-50.1	172.4	-70.1	168.5	0	0	0	110.2	D85 V109 M111 I132 R133 Q138 A139 K140	D85-I136 HydrophobicContact CB-CD1 4.44Å; D85-I136 HydrophobicContact CB-CG1 4.3Å; V109-I136 HydrophobicContact CG1-CG1 3.98Å; M111-I136 HydrophobicContact CE-CG2 3.99Å; M111-I136 HydrophobicContact SD-CB 4.22Å; M111-I136 HydrophobicContact SD-CG2 3.64Å; I132-I136 HydrophobicContact CG2-CD1 3.9Å; I132-I136 HydrophobicContact CG2-CG1 4.41Å; I132-I136 WeakPolarHBondContact O-CG1 3.03Å; I132-I136 PolarHBondContact O-N 2.87Å; R133-I136 PolarHBondContact O-N 2.96Å; I136-Q138 VanDerWaalsContact C-N 3.28Å; I136-Q138 PolarHBondContact O-N 2.93Å; I136-A139 PolarHBondContact O-N 2.97Å; I136-A139 VanDerWaalsContact O-N 3.13Å; I136-K140 WeakPolarHBondContact O-CG 3.49Å; I136-K140 PolarHBondContact O-N 3.37Å
137	I	96.4	Very high	96.3	Very high	80 Å²	80	42.7 Å²	42.7	41%	0.41	22%	0.222	S	C	.	.	H	α-helix	trans	-56.3	-45.9	176.8	-68.2	166.4	0	0	0	110.7	C72 R133 A139 K140 L141	C72-I137 HydrophobicContact CB-CG2 4.07Å; R133-I137 WeakPolarHBondContact O-CG1 3.39Å; R133-I137 PolarHBondContact O-N 3.36Å; R133-I137 VanDerWaalsContact O-N 3.1Å; I137-A139 PolarHBondContact O-N 3.25Å; I137-K140 PolarHBondContact O-N 3.48Å; I137-L141 HydrophobicContact CG2-CD1 4.31Å; I137-L141 WeakPolarHBondContact O-CG 3.5Å; I137-L141 PolarHBondContact O-N 3.06Å; I137-L141 VanDerWaalsContact O-N 3.1Å
138	Q	96.9	Very high	96.2	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.36	20%	0.204	S	C	.	.	H	α-helix	trans	-66.9	-36.3	179.1	-172.8	176.2	1.6	0	0	112.9	V122 G134 A135 I136 K140 L141 S142	V122-Q138 PolarHBondContact O-OE1 3.17Å; G134-Q138 WeakPolarHBondContact O-CB 3.32Å; G134-Q138 PolarHBondContact O-N 3.34Å; G134-Q138 VanDerWaalsContact O-N 3.11Å; A135-Q138 PolarHBondContact O-N 3.42Å; I136-Q138 VanDerWaalsContact C-N 3.28Å; I136-Q138 PolarHBondContact O-N 2.93Å; Q138-K140 VanDerWaalsContact C-N 3.34Å; Q138-L141 PolarHBondContact O-N 3.36Å; Q138-S142 PolarHBondContact O-N 3.1Å; Q138-S142 PolarHBondContact O-OG 3.41Å
139	A	96.9	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-39	176.7	0	0	0	0	0	111.2	M111 G119 A135 I136 I137 S142 I143	M111-A139 HydrophobicContact CB-CB 4.09Å; M111-A139 HydrophobicContact CG-CB 3.64Å; M111-A139 HydrophobicContact SD-CB 3.81Å; G119-A139 VanDerWaalsContact CA-O 3.3Å; G119-A139 WeakPolarHBondContact CA-O 3.3Å; A135-A139 WeakPolarHBondContact O-CB 3.4Å; A135-A139 PolarHBondContact O-N 3.4Å; I136-A139 PolarHBondContact O-N 2.97Å; I136-A139 VanDerWaalsContact O-N 3.13Å; I137-A139 PolarHBondContact O-N 3.25Å; A139-S142 CarbonylContact O-C 3.48Å; A139-S142 PolarHBondContact O-N 3.47Å; A139-S142 PolarHBondContact O-OG 3.05Å; A139-I143 PolarHBondContact O-N 3.16Å
140	K	95.7	Very high	95.8	Very high	29 Å²	29	38 Å²	38	13%	0.126	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-57.4	170.3	-67.6	175.3	-177.9	-177.6	0	109.6	C72 I75 D76 L83 M111 I136 I137 Q138 S142 I143	C72-K140 HydrophobicContact CB-CB 3.92Å; C72-K140 HydrophobicContact CB-CD 3.99Å; I75-K140 HydrophobicContact CB-CB 4.47Å; I75-K140 HydrophobicContact CD1-CB 4.06Å; I75-K140 WeakPolarHBondContact CD1-O 3.4Å; D76-K140 WeakPolarHBondContact OD1-CD 3.27Å; D76-K140 WeakPolarHBondContact OD1-CE 3.3Å; D76-K140 IonicContact OD1-NZ 3.12Å; D76-K140 PolarHBondContact OD1-NZ 3.49Å; D76-K140 IonicContact OD2-NZ 3.77Å; D76-K140 PolarHBondContact OD2-NZ 2.83Å; L83-K140 HydrophobicContact CD2-CD 4.4Å; L83-K140 HydrophobicContact CD2-CG 4Å; M111-K140 HydrophobicContact CE-CG 4.2Å; M111-K140 HydrophobicContact SD-CG 3.78Å; I136-K140 WeakPolarHBondContact O-CG 3.49Å; I136-K140 PolarHBondContact O-N 3.37Å; I137-K140 PolarHBondContact O-N 3.48Å; Q138-K140 VanDerWaalsContact C-N 3.34Å; K140-S142 PolarHBondContact O-N 3.03Å; K140-I143 WeakPolarHBondContact O-CB 2.9Å; K140-I143 PolarHBondContact O-N 2.62Å
141	L	96	Very high	95.5	Very high	63 Å²	63	43 Å²	43	33%	0.33	20%	0.201	S	C	.	.	H	α-helix	trans	-56.9	-24.5	-178.5	-63.9	174.9	0	0	0	114.4	I69 K70 C72 I137 Q138	I69-L141 HydrophobicContact CG2-CD2 4.14Å; K70-L141 VanDerWaalsContact C-CD2 3.47Å; C72-L141 HydrophobicContact CB-CD2 4.27Å; C72-L141 HydrophobicContact CB-CG 4.4Å; I137-L141 HydrophobicContact CG2-CD1 4.31Å; I137-L141 WeakPolarHBondContact O-CG 3.5Å; I137-L141 PolarHBondContact O-N 3.06Å; I137-L141 VanDerWaalsContact O-N 3.1Å; Q138-L141 PolarHBondContact O-N 3.36Å
142	S	95.7	Very high	95	Very high	30 Å²	30	45.5 Å²	45.5	21%	0.21	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	31.2	176.1	65.1	0	0	0	0	113.2	G119 L120 Q138 A139 K140 Y222	G119-S142 WeakPolarHBondContact CA-O 2.96Å; L120-S142 PolarHBondContact N-OG 2.76Å; L120-S142 PolarHBondContact O-OG 3.02Å; Q138-S142 PolarHBondContact O-N 3.1Å; Q138-S142 PolarHBondContact O-OG 3.41Å; A139-S142 CarbonylContact O-C 3.48Å; A139-S142 PolarHBondContact O-N 3.47Å; A139-S142 PolarHBondContact O-OG 3.05Å; K140-S142 PolarHBondContact O-N 3.03Å; S142-Y222 PolarHBondContact O-OH 2.81Å
143	I	94.7	Very high	94.4	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.062	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	137.1	175.3	-156.5	157.4	0	0	0	110.9	L59 Y63 I69 I75 L79 L83 H117 A139 K140	L59-I143 HydrophobicContact CD2-CG2 4.08Å; Y63-I143 WeakPolarHBondContact OH-CG2 3.15Å; I69-I143 HydrophobicContact CD1-CG2 4.31Å; I75-I143 HydrophobicContact CD1-CB 4.14Å; I75-I143 HydrophobicContact CD1-CG2 3.44Å; I75-I143 VanDerWaalsContact CD1-CG2 3.44Å; I75-I143 HydrophobicContact CG1-CG2 4.12Å; I75-I143 HydrophobicContact CG2-CD1 4.05Å; L79-I143 HydrophobicContact CD1-CD1 3.85Å; L83-I143 HydrophobicContact CD1-CD1 3.92Å; H117-I143 HydrophobicContact CB-CD1 3.9Å; H117-I143 HydrophobicContact CB-CG1 4Å; A139-I143 PolarHBondContact O-N 3.16Å; K140-I143 WeakPolarHBondContact O-CB 2.9Å; K140-I143 PolarHBondContact O-N 2.62Å
144	I	94.9	Very high	93.9	Very high	23 Å²	23	49 Å²	49	12%	0.118	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.9	-177.7	-69.8	-171.9	0	0	0	109.1	V118 Y222 R226	V118-I144 PolarHBondContact N-O 2.71Å; V118-I144 VanDerWaalsContact N-O 3.15Å; V118-I144 PolarHBondContact O-N 3.49Å; I144-Y222 HydrophobicContact CD1-CE1 3.66Å; I144-Y222 HydrophobicContact CD1-CE2 4.15Å; I144-Y222 WeakPolarHBondContact CD1-OH 3.4Å; I144-Y222 HydrophobicContact CG1-CE2 4.38Å; I144-Y222 WeakPolarHBondContact CG1-OH 3.39Å; I144-R226 HydrophobicContact CD1-CB 3.98Å; I144-R226 HydrophobicContact CD1-CG 3.74Å; I144-R226 HydrophobicContact CG2-CB 4.07Å; I144-R226 HydrophobicContact CG2-CG 4.05Å
145	P	95.6	Very high	93.3	Very high	31 Å²	31	53.2 Å²	53.2	20%	0.201	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	144.2	172.7	32.5	-33.8	0	0	0	110.7	Y63 C116 Y229	Y63-P145 HydrophobicContact CD1-CG 4.37Å; Y63-P145 HydrophobicContact CD2-CB 3.76Å; Y63-P145 HydrophobicContact CD2-CG 3.73Å; Y63-P145 HydrophobicContact CE1-CG 4.46Å; Y63-P145 HydrophobicContact CE2-CB 3.59Å; Y63-P145 HydrophobicContact CE2-CG 3.83Å; Y63-P145 HydrophobicContact CG-CG 3.99Å; C116-P145 CarbonylContact O-C 3.52Å; C116-P145 WeakPolarHBondContact O-CA 3.47Å; P145-Y229 HydrophobicContact CB-CD2 4.17Å; P145-Y229 HydrophobicContact CB-CE2 3.65Å; P145-Y229 HydrophobicContact CG-CD2 4.04Å; P145-Y229 HydrophobicContact CG-CE2 4.01Å; P145-Y229 WeakPolarHBondContact O-CD2 3.42Å; P145-Y229 WeakPolarHBondContact O-CE2 3.08Å
146	V	95.3	Very high	92.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.299	C	S	.	.			trans	-112.9	126.7	178.5	-175.5	0	0	0	0	110	C116 V118 A198 I200 I225	C116-V146 HydrophobicContact CB-CB 4.31Å; C116-V146 VanDerWaalsContact CB-O 3.31Å; C116-V146 WeakPolarHBondContact CB-O 3.12Å; C116-V146 PolarHBondContact O-N 3.48Å; V118-V146 HydrophobicContact CG2-CG2 4.21Å; V146-A198 HydrophobicContact CB-CB 4.43Å; V146-A198 HydrophobicContact CG1-CB 4.21Å; V146-A198 HydrophobicContact CG2-CB 3.95Å; V146-I200 HydrophobicContact CG1-CD1 3.88Å; V146-I200 HydrophobicContact CG1-CG1 4.29Å; V146-I225 HydrophobicContact CB-CG2 4.03Å; V146-I225 HydrophobicContact CG1-CG2 3.73Å; V146-I225 HydrophobicContact CG2-CG2 3.26Å
147	R	94.7	Very high	92.7	Very high	28 Å²	28	62.7 Å²	62.7	11%	0.106	33%	0.327	C	S	.	.			trans	-86.4	117.4	176.1	-168.7	177.4	176.5	-162.1	-1.4	109.4	P162 T228 Y229 T233 D235 L236	R147-P162 HydrophobicContact CB-CG 4.4Å; R147-P162 HydrophobicContact CG-CG 4.11Å; R147-P162 WeakPolarHBondContact O-CD 3.17Å; R147-T228 PolarHBondContact N-OG1 3.3Å; R147-T228 VanDerWaalsContact N-OG1 3.13Å; R147-Y229 HydrophobicContact CB-CD1 4.05Å; R147-Y229 HydrophobicContact CB-CD2 3.86Å; R147-Y229 HydrophobicContact CB-CE1 3.84Å; R147-Y229 HydrophobicContact CB-CE2 3.65Å; R147-Y229 HydrophobicContact CB-CG 4.05Å; R147-Y229 HydrophobicContact CG-CD1 4.37Å; R147-Y229 HydrophobicContact CG-CE1 3.98Å; R147-T233 PolarHBondContact NH1-OG1 3.46Å; R147-T233 PolarHBondContact NH2-OG1 3.38Å; R147-D235 IonicContact NH2-OD2 3.51Å; R147-D235 PolarHBondContact NH2-OD2 3.02Å; R147-L236 VanDerWaalsContact NH1-CD1 3.29Å
148	K	94.2	Very high	92.5	Very high	42 Å²	42	60.9 Å²	60.9	18%	0.183	32%	0.32	C	S	.	.			trans	-91.8	152.4	167.5	-58.4	-167.8	-57.4	-174.3	0	110.1	C116 P158 T160 G199 I200	C116-K148 WeakPolarHBondContact SG-CE 3.38Å; K148-P158 HydrophobicContact CB-CB 3.72Å; K148-P158 HydrophobicContact CB-CG 4.09Å; K148-P158 VanDerWaalsContact CE-O 3.26Å; K148-P158 WeakPolarHBondContact CE-O 3.2Å; K148-T160 CarbonylContact C-O 3.59Å; K148-T160 WeakPolarHBondContact CA-O 3.27Å; K148-G199 WeakPolarHBondContact CD-O 3.3Å; K148-G199 PolarHBondContact NZ-O 3.31Å; K148-I200 HydrophobicContact CG-CG1 4.44Å
149	G	92.7	Very high	92.4	Very high	8 Å²	8	57.6 Å²	57.6	8%	0.082	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-147.7	-160.1	178.9	0	0	0	0	0	111.9	P158 H159 T160	G149-P158 WeakPolarHBondContact O-CA 3.4Å; G149-H159 PolarHBondContact O-N 2.93Å; G149-H159 VanDerWaalsContact O-N 3.15Å; G149-T160 PolarHBondContact N-O 2.74Å; G149-T160 PolarHBondContact O-N 3.02Å
150	Y	93	Very high	92.3	Very high	69 Å²	69	57.6 Å²	57.6	27%	0.271	31%	0.305	S	S	.	.			trans	-118.6	154.5	-178.8	-56	-83.5	0	0	0	109.7	Q154 G156 P158 T160	Y150-Q154 HydrophobicContact CD2-CB 4.17Å; Y150-Q154 HydrophobicContact CD2-CG 3.84Å; Y150-Q154 HydrophobicContact CE2-CB 4.12Å; Y150-Q154 HydrophobicContact CE2-CG 4.08Å; Y150-Q154 HydrophobicContact CG-CB 4.42Å; Y150-Q154 HydrophobicContact CG-CG 4.32Å; Y150-G156 WeakPolarHBondContact CE1-O 3.23Å; Y150-G156 PolarHBondContact OH-O 3.23Å; Y150-P158 HydrophobicContact CE1-CB 4.42Å; Y150-P158 HydrophobicContact CE2-CB 4.44Å; Y150-T160 VanDerWaalsContact C-CG2 3.42Å
151	W	89.9	Confident	92.2	Very high	158 Å²	158	56.2 Å²	56.2	60%	0.598	30%	0.299	S	S	*	.	S	Bend	trans	-77	-36.4	175.7	-176.2	57.9	0	0	0	112.7	T160 P178 A179 P180	W151-T160 HydrophobicContact CB-CG2 4.17Å; W151-P178 VanDerWaalsContact CD1-C 3.45Å; W151-P178 PolarHBondContact NE1-O 2.65Å; W151-A179 WeakPolarHBondContact CB-O 3.44Å; W151-P180 HydrophobicContact CD2-CB 4.08Å; W151-P180 HydrophobicContact CE3-CB 3.67Å; W151-P180 HydrophobicContact CE3-CG 4.47Å; W151-P180 HydrophobicContact CH2-CB 4.38Å; W151-P180 HydrophobicContact CH2-CG 4.47Å; W151-P180 HydrophobicContact CZ3-CB 3.84Å; W151-P180 HydrophobicContact CZ3-CG 4.41Å
152	G	87.2	Confident	92.1	Very high	54 Å²	54	54.6 Å²	54.6	56%	0.557	29%	0.293	S	S	*	.	S	Bend	trans	-154.2	-83.8	178.5	0	0	0	0	0	110
153	N	85.8	Confident	92	Very high	130 Å²	130	55.1 Å²	55.1	70%	0.695	30%	0.296	S	S	*	.	S	Bend	trans	-74.1	140.2	178.7	-69.3	-4.2	0	0	0	112.4	I155	N153-I155 HydrophobicContact CB-CD1 3.78Å; N153-I155 HydrophobicContact CB-CG1 3.81Å; N153-I155 PolarHBondContact O-N 3.4Å
154	Q	85.5	Confident	92	Very high	146 Å²	146	60.3 Å²	60.3	68%	0.682	32%	0.318	S	S	*	.			trans	-78.7	59	177.9	-60.3	-175.7	4	0	0	112	Y150	Y150-Q154 HydrophobicContact CD2-CB 4.17Å; Y150-Q154 HydrophobicContact CD2-CG 3.84Å; Y150-Q154 HydrophobicContact CE2-CB 4.12Å; Y150-Q154 HydrophobicContact CE2-CG 4.08Å; Y150-Q154 HydrophobicContact CG-CB 4.42Å; Y150-Q154 HydrophobicContact CG-CG 4.32Å
155	I	84.7	Confident	92	Very high	106 Å²	106	59.2 Å²	59.2	54%	0.544	31%	0.312	S	S	.	.			trans	-93.5	127.8	-177.9	-58.2	170	0	0	0	108.6	N153 R181	N153-I155 HydrophobicContact CB-CD1 3.78Å; N153-I155 HydrophobicContact CB-CG1 3.81Å; N153-I155 PolarHBondContact O-N 3.4Å; I155-R181 PolarHBondContact O-NH1 3.19Å; I155-R181 PolarHBondContact O-NH2 3.35Å
156	G	88.6	Confident	92.1	Very high	56 Å²	56	61.7 Å²	61.7	58%	0.577	33%	0.327	S	S	*	.	S	Bend	trans	62	-148.8	173	0	0	0	0	0	114	Y150	Y150-G156 WeakPolarHBondContact CE1-O 3.23Å; Y150-G156 PolarHBondContact OH-O 3.23Å
157	K	91.6	Very high	92.2	Very high	174 Å²	174	62 Å²	62	76%	0.757	33%	0.33	S	S	*	.	S	Bend	trans	-79.8	147.5	-179.4	-65.2	-179	-178.4	178.3	0	112.7	H159 R181	K157-H159 PolarHBondContact O-N 3.21Å; K157-R181 PolarHBondContact O-NH2 2.9Å
158	P	93.9	Very high	92.2	Very high	42 Å²	42	68.1 Å²	68.1	27%	0.273	36%	0.357	S	S	.	.			trans	-65.4	128.6	176.4	28.7	-35.3	0	0	0	110.7	K148 G149 Y150	K148-P158 HydrophobicContact CB-CB 3.72Å; K148-P158 HydrophobicContact CB-CG 4.09Å; K148-P158 VanDerWaalsContact CE-O 3.26Å; K148-P158 WeakPolarHBondContact CE-O 3.2Å; G149-P158 WeakPolarHBondContact O-CA 3.4Å; Y150-P158 HydrophobicContact CE1-CB 4.42Å; Y150-P158 HydrophobicContact CE2-CB 4.44Å
159	H	94	Very high	92.3	Very high	8 Å²	8	67.6 Å²	67.6	4%	0.037	36%	0.358	C	S	.	.			trans	-124.7	-20	-169.1	58.3	-82.7	0	0	0	113.3	G149 K157 R181 E201 D202	G149-H159 PolarHBondContact O-N 2.93Å; G149-H159 VanDerWaalsContact O-N 3.15Å; K157-H159 PolarHBondContact O-N 3.21Å; H159-R181 WeakPolarHBondContact CE1-CG 3.31Å; H159-R181 PolarHBondContact ND1-NE 2.77Å; H159-R181 VanDerWaalsContact NE2-CG 3.31Å; H159-R181 WeakPolarHBondContact NE2-CG 3.39Å; H159-E201 HydrophobicContact CB-CB 4.27Å; H159-E201 PolarHBondContact O-N 3.15Å; H159-D202 IonicContact CD2-OD2 2.64Å; H159-D202 PolarHBondContact CD2-OD2 3.34Å; H159-D202 IonicContact CG-OD2 3.65Å; H159-D202 PolarHBondContact O-N 3.22Å
160	T	94.7	Very high	92.5	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-121.3	-177.6	-176.1	-165.4	0	0	0	0	111.8	K148 G149 Y150 W151 P178 A179 D202	K148-T160 CarbonylContact C-O 3.59Å; K148-T160 WeakPolarHBondContact CA-O 3.27Å; G149-T160 PolarHBondContact N-O 2.74Å; G149-T160 PolarHBondContact O-N 3.02Å; Y150-T160 VanDerWaalsContact C-CG2 3.42Å; W151-T160 HydrophobicContact CB-CG2 4.17Å; T160-P178 HydrophobicContact CG2-CB 4.28Å; T160-P178 WeakPolarHBondContact OG1-CA 3.31Å; T160-A179 PolarHBondContact OG1-N 3.04Å; T160-A179 VanDerWaalsContact OG1-N 3.11Å; T160-D202 WeakPolarHBondContact CA-O 3.34Å; T160-D202 VanDerWaalsContact CB-O 3.23Å; T160-D202 WeakPolarHBondContact CB-O 3.1Å; T160-D202 PolarHBondContact OG1-O 2.99Å
161	V	94.4	Very high	92.6	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	39%	0.393	C	S	.	.			trans	-79.7	140.1	173.6	-175.3	0	0	0	0	108.8	C163 V165 L176 P178 I200 V203 T228	V161-C163 VanDerWaalsContact C-N 3.34Å; V161-C163 VanDerWaalsContact CG1-O 3.25Å; V161-C163 WeakPolarHBondContact CG1-O 3.25Å; V161-C163 PolarHBondContact O-N 3.37Å; V161-V165 HydrophobicContact CG1-CG2 3.9Å; V161-L176 HydrophobicContact CG2-CB 4.24Å; V161-L176 HydrophobicContact CG2-CD1 4.3Å; V161-P178 WeakPolarHBondContact O-CB 3.27Å; V161-P178 WeakPolarHBondContact O-CG 3.47Å; V161-I200 HydrophobicContact CG2-CD1 3.85Å; V161-I200 HydrophobicContact CG2-CG2 4.42Å; V161-V203 HydrophobicContact CB-CG2 4.39Å; V161-V203 HydrophobicContact CG2-CG2 3.65Å; V161-T228 HydrophobicContact CG1-CG2 3.76Å
162	P	93.5	Very high	92.9	Very high	30 Å²	30	62.6 Å²	62.6	20%	0.195	37%	0.365	C	S	.	.	S	Bend	trans	-67.8	-30.1	-175.4	25.1	-36.3	0	0	0	114.3	R147	R147-P162 HydrophobicContact CB-CG 4.4Å; R147-P162 HydrophobicContact CG-CG 4.11Å; R147-P162 WeakPolarHBondContact O-CD 3.17Å
163	C	92.4	Very high	93.4	Very high	40 Å²	40	62.2 Å²	62.2	27%	0.27	35%	0.354	S	S	.	.	S	Bend	trans	-141.5	169.7	-175.9	-71.9	0	0	0	0	110.1	V161 V165	V161-C163 VanDerWaalsContact C-N 3.34Å; V161-C163 VanDerWaalsContact CG1-O 3.25Å; V161-C163 WeakPolarHBondContact CG1-O 3.25Å; V161-C163 PolarHBondContact O-N 3.37Å; C163-V165 HydrophobicContact CB-CG2 4.49Å; C163-V165 WeakPolarHBondContact O-CG2 3.19Å; C163-V165 PolarHBondContact O-N 2.74Å
164	K	95.6	Very high	93.9	Very high	121 Å²	121	56.1 Å²	56.1	53%	0.526	32%	0.321	S	S	.	.			trans	-74.2	107.6	170.6	-64.3	178.2	-171.7	170.7	0	108.4	L176 I177	K164-L176 CarbonylContact C-O 3.54Å; K164-L176 WeakPolarHBondContact CA-O 3.11Å; K164-I177 HydrophobicContact CG-CG2 4.34Å
165	V	95.8	Very high	94.5	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.5	-176	-169.2	0	0	0	0	110.4	V161 C163 R175 L176 A224 A227 T228 Y231	V161-V165 HydrophobicContact CG1-CG2 3.9Å; C163-V165 HydrophobicContact CB-CG2 4.49Å; C163-V165 WeakPolarHBondContact O-CG2 3.19Å; C163-V165 PolarHBondContact O-N 2.74Å; V165-R175 CarbonylContact O-C 3.53Å; V165-R175 WeakPolarHBondContact O-CA 3.39Å; V165-L176 PolarHBondContact N-O 3.43Å; V165-L176 PolarHBondContact O-N 3.04Å; V165-A224 WeakPolarHBondContact CG1-O 3.38Å; V165-A227 HydrophobicContact CG1-CB 3.4Å; V165-T228 HydrophobicContact CG2-CG2 4.11Å; V165-Y231 HydrophobicContact CG2-CD2 4.44Å
166	T	96.5	Very high	95	Very high	82 Å²	82	48.8 Å²	48.8	50%	0.503	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.3	176.7	46.9	0	0	0	0	110.5	V174 R175	T166-V174 CarbonylContact C-O 3.19Å; T166-V174 WeakPolarHBondContact CA-O 3.38Å; T166-R175 HydrophobicContact CG2-CB 3.88Å; T166-R175 HydrophobicContact CG2-CG 3.64Å
167	G	96.6	Very high	95.4	Very high	6 Å²	6	48 Å²	48	6%	0.062	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.6	171.6	0	0	0	0	0	110.2	S173 V174	G167-S173 WeakPolarHBondContact O-CA 3.36Å; G167-V174 PolarHBondContact N-O 3.23Å; G167-V174 PolarHBondContact O-N 3.39Å
168	K	96.4	Very high	95.6	Very high	158 Å²	158	40.4 Å²	40.4	69%	0.687	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.6	-178.2	-171	179.6	178.6	-177.5	0	110.7	G170 V172	K168-G170 WeakPolarHBondContact CE-O 3.32Å; K168-V172 WeakPolarHBondContact CA-O 3.43Å
169	C	96.6	Very high	95.7	Very high	30 Å²	30	38.4 Å²	38.4	20%	0.203	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	118	168.5	-170.5	0	0	0	0	109.6	S171 V172 K219 A220	C169-S171 PolarHBondContact O-N 3.09Å; C169-V172 PolarHBondContact N-O 3.25Å; C169-V172 PolarHBondContact O-N 2.93Å; C169-V172 VanDerWaalsContact O-N 3.15Å; C169-K219 HydrophobicContact CB-CB 3.92Å; C169-A220 HydrophobicContact CB-CB 3.95Å
170	G	94.9	Very high	95.8	Very high	55 Å²	55	40 Å²	40	57%	0.567	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	-130.7	-171.7	0	0	0	0	0	111.5	K168 V172	K168-G170 WeakPolarHBondContact CE-O 3.32Å; G170-V172 VanDerWaalsContact C-N 3.33Å
171	S	96	Very high	95.6	Very high	75 Å²	75	45.5 Å²	45.5	52%	0.524	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.8	175.5	58.9	0	0	0	0	113.9	C169	C169-S171 PolarHBondContact O-N 3.09Å
172	V	96.8	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.1	-174.1	-172.8	0	0	0	0	110	K168 C169 G170 V174 R208 Q210 T211 N216 F217 A220	K168-V172 WeakPolarHBondContact CA-O 3.43Å; C169-V172 PolarHBondContact N-O 3.25Å; C169-V172 PolarHBondContact O-N 2.93Å; C169-V172 VanDerWaalsContact O-N 3.15Å; G170-V172 VanDerWaalsContact C-N 3.33Å; V172-V174 HydrophobicContact CG1-CG2 4.26Å; V172-R208 WeakPolarHBondContact CA-O 3.27Å; V172-Q210 VanDerWaalsContact CG2-O 3.3Å; V172-Q210 WeakPolarHBondContact CG2-O 3.36Å; V172-T211 HydrophobicContact CG1-CG2 4.46Å; V172-N216 HydrophobicContact CG2-CB 4.24Å; V172-F217 HydrophobicContact CG1-CB 4.44Å; V172-F217 HydrophobicContact CG1-CD2 3.75Å; V172-A220 HydrophobicContact CB-CB 4.48Å; V172-A220 HydrophobicContact CG1-CB 4.28Å
173	S	96.6	Very high	95.6	Very high	46 Å²	46	49.6 Å²	49.6	32%	0.322	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.7	167.8	63.6	0	0	0	0	110.1	G167 A207 R208	G167-S173 WeakPolarHBondContact O-CA 3.36Å; S173-A207 CarbonylContact O-C 3.56Å; S173-A207 VanDerWaalsContact O-CA 3.26Å; S173-A207 WeakPolarHBondContact O-CA 3.36Å; S173-R208 PolarHBondContact N-O 3.4Å; S173-R208 PolarHBondContact O-N 3.31Å
174	V	97.1	Very high	95.7	Very high	2 Å²	2	49 Å²	49	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.6	177	-179.6	0	0	0	0	107.7	T166 G167 V172 L176 A207 F217 A220	T166-V174 CarbonylContact C-O 3.19Å; T166-V174 WeakPolarHBondContact CA-O 3.38Å; G167-V174 PolarHBondContact N-O 3.23Å; G167-V174 PolarHBondContact O-N 3.39Å; V172-V174 HydrophobicContact CG1-CG2 4.26Å; V174-L176 HydrophobicContact CG1-CD2 4.44Å; V174-A207 HydrophobicContact CG2-CB 4.39Å; V174-F217 HydrophobicContact CG2-CD2 3.7Å; V174-F217 HydrophobicContact CG2-CE2 3.61Å; V174-A220 HydrophobicContact CB-CB 4.41Å; V174-A220 HydrophobicContact CG2-CB 3.77Å
175	R	97	Very high	95.8	Very high	98 Å²	98	44 Å²	44	37%	0.37	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.5	175.1	-171.5	178.4	-169.8	-151.2	11.6	109	V165 T166 I177 T205 S206	V165-R175 CarbonylContact O-C 3.53Å; V165-R175 WeakPolarHBondContact O-CA 3.39Å; T166-R175 HydrophobicContact CG2-CB 3.88Å; T166-R175 HydrophobicContact CG2-CG 3.64Å; R175-I177 HydrophobicContact CG-CG1 4Å; R175-T205 WeakPolarHBondContact O-CA 3.42Å; R175-S206 WeakPolarHBondContact CB-OG 3.28Å; R175-S206 PolarHBondContact N-O 3.38Å; R175-S206 PolarHBondContact O-N 2.75Å
176	L	96.9	Very high	95.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.2	170.2	-57.3	-179.5	0	0	0	107.7	V161 K164 V165 V174 L195 V203 T205 A224 I225	V161-L176 HydrophobicContact CG2-CB 4.24Å; V161-L176 HydrophobicContact CG2-CD1 4.3Å; K164-L176 CarbonylContact C-O 3.54Å; K164-L176 WeakPolarHBondContact CA-O 3.11Å; V165-L176 PolarHBondContact N-O 3.43Å; V165-L176 PolarHBondContact O-N 3.04Å; V174-L176 HydrophobicContact CG1-CD2 4.44Å; L176-L195 HydrophobicContact CD1-CD2 4.01Å; L176-L195 HydrophobicContact CD2-CD1 4.05Å; L176-L195 HydrophobicContact CD2-CD2 4.04Å; L176-V203 HydrophobicContact CB-CG2 4.12Å; L176-V203 HydrophobicContact CD2-CG1 4.46Å; L176-T205 HydrophobicContact CD2-CG2 3.77Å; L176-A224 HydrophobicContact CD1-CB 3.94Å; L176-A224 HydrophobicContact CG-CB 4.03Å; L176-I225 HydrophobicContact CD1-CG1 4.01Å
177	I	96.6	Very high	95.6	Very high	40 Å²	40	45 Å²	45	21%	0.205	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.4	-179.1	-59.5	169.7	0	0	0	107.3	K164 R175 V203 Y204	K164-I177 HydrophobicContact CG-CG2 4.34Å; R175-I177 HydrophobicContact CG-CG1 4Å; I177-V203 WeakPolarHBondContact O-CG2 3.33Å; I177-Y204 PolarHBondContact N-O 2.94Å; I177-Y204 PolarHBondContact O-N 2.9Å
178	P	95.9	Very high	95.4	Very high	15 Å²	15	46.7 Å²	46.7	10%	0.097	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	141.4	177.6	-25.3	35.5	0	0	0	111.6	W151 T160 V161	W151-P178 VanDerWaalsContact CD1-C 3.45Å; W151-P178 PolarHBondContact NE1-O 2.65Å; T160-P178 HydrophobicContact CG2-CB 4.28Å; T160-P178 WeakPolarHBondContact OG1-CA 3.31Å; V161-P178 WeakPolarHBondContact O-CB 3.27Å; V161-P178 WeakPolarHBondContact O-CG 3.47Å
179	A	95.9	Very high	95.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	29%	0.293	C	S	.	.			trans	-130.1	151.5	-175.3	0	0	0	0	0	111.5	W151 T160 T183 D202 Y204	W151-A179 WeakPolarHBondContact CB-O 3.44Å; T160-A179 PolarHBondContact OG1-N 3.04Å; T160-A179 VanDerWaalsContact OG1-N 3.11Å; A179-T183 HydrophobicContact CB-CG2 4.06Å; A179-D202 HydrophobicContact CB-CB 4.17Å; A179-Y204 HydrophobicContact CB-CD2 3.63Å; A179-Y204 HydrophobicContact CB-CE2 3.63Å; A179-Y204 HydrophobicContact CB-CG 4.26Å
180	P	94.8	Very high	95.2	Very high	40 Å²	40	43.2 Å²	43.2	26%	0.26	29%	0.288	S	S	.	.			trans	-65.5	158.9	174.6	25.5	-30.2	0	0	0	111.6	W151 G182 T183	W151-P180 HydrophobicContact CD2-CB 4.08Å; W151-P180 HydrophobicContact CE3-CB 3.67Å; W151-P180 HydrophobicContact CE3-CG 4.47Å; W151-P180 HydrophobicContact CH2-CB 4.38Å; W151-P180 HydrophobicContact CH2-CG 4.47Å; W151-P180 HydrophobicContact CZ3-CB 3.84Å; W151-P180 HydrophobicContact CZ3-CG 4.41Å; P180-G182 PolarHBondContact O-N 2.8Å; P180-T183 WeakPolarHBondContact CD-OG1 3.46Å; P180-T183 WeakPolarHBondContact CG-OG1 3.36Å; P180-T183 WeakPolarHBondContact O-CB 3.47Å; P180-T183 PolarHBondContact O-N 2.78Å; P180-T183 PolarHBondContact O-OG1 2.86Å
181	R	92	Very high	95.2	Very high	116 Å²	116	40.6 Å²	40.6	44%	0.438	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	137.7	178.5	-84.8	-157.9	164.9	120.8	3.1	113	I155 K157 H159 T183 D202	I155-R181 PolarHBondContact O-NH1 3.19Å; I155-R181 PolarHBondContact O-NH2 3.35Å; K157-R181 PolarHBondContact O-NH2 2.9Å; H159-R181 WeakPolarHBondContact CE1-CG 3.31Å; H159-R181 PolarHBondContact ND1-NE 2.77Å; H159-R181 VanDerWaalsContact NE2-CG 3.31Å; H159-R181 WeakPolarHBondContact NE2-CG 3.39Å; R181-T183 VanDerWaalsContact C-N 3.29Å; R181-D202 WeakPolarHBondContact CA-OD2 3.35Å
182	G	92.9	Very high	95.1	Very high	75 Å²	75	41.2 Å²	41.2	77%	0.773	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	3.4	176.3	0	0	0	0	0	114.2	P180 G184 D202	P180-G182 PolarHBondContact O-N 2.8Å; G182-G184 VanDerWaalsContact C-N 3.25Å; G182-G184 PolarHBondContact O-N 3.33Å; G182-D202 WeakPolarHBondContact CA-OD1 3.42Å; G182-D202 PolarHBondContact N-OD1 3.33Å; G182-D202 PolarHBondContact N-OD2 3.13Å
183	T	94.6	Very high	95	Very high	41 Å²	41	44.6 Å²	44.6	25%	0.252	27%	0.269	S	S	.	.			trans	-66.5	-32.3	172.1	-56.7	0	0	0	0	111.4	A179 P180 R181 V186 D202 Y204	A179-T183 HydrophobicContact CB-CG2 4.06Å; P180-T183 WeakPolarHBondContact CD-OG1 3.46Å; P180-T183 WeakPolarHBondContact CG-OG1 3.36Å; P180-T183 WeakPolarHBondContact O-CB 3.47Å; P180-T183 PolarHBondContact O-N 2.78Å; P180-T183 PolarHBondContact O-OG1 2.86Å; R181-T183 VanDerWaalsContact C-N 3.29Å; T183-V186 HydrophobicContact CG2-CG2 3.9Å; T183-D202 PolarHBondContact N-OD1 3.49Å; T183-Y204 HydrophobicContact CG2-CD1 4.17Å; T183-Y204 HydrophobicContact CG2-CE1 3.41Å; T183-Y204 VanDerWaalsContact CG2-CE1 3.41Å; T183-Y204 HydrophobicContact CG2-CE2 4.35Å
184	G	95	Very high	95	Very high	27 Å²	27	42.4 Å²	42.4	28%	0.278	25%	0.254	S	S	.	.			trans	68.9	-174.2	-167.1	0	0	0	0	0	112.6	G182 V186 E201 D202 V203	G182-G184 VanDerWaalsContact C-N 3.25Å; G182-G184 PolarHBondContact O-N 3.33Å; G184-V186 PolarHBondContact O-N 2.94Å; G184-E201 CarbonylContact C-O 3.45Å; G184-E201 VanDerWaalsContact CA-O 3.24Å; G184-E201 WeakPolarHBondContact CA-O 3.44Å; G184-D202 PolarHBondContact N-OD1 2.67Å; G184-V203 PolarHBondContact O-N 3.12Å; G184-V203 VanDerWaalsContact O-N 3.16Å
185	I	96.2	Very high	94.9	Very high	17 Å²	17	42.3 Å²	42.3	9%	0.087	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	108.6	175	-60.8	157.3	0	0	0	109.9	K192 L195 Q196 I200 E201 V203	I185-K192 HydrophobicContact CB-CG 4.17Å; I185-K192 HydrophobicContact CG2-CB 4.15Å; I185-K192 HydrophobicContact CG2-CG 3.99Å; I185-L195 HydrophobicContact CD1-CB 3.77Å; I185-L195 HydrophobicContact CG1-CB 4.24Å; I185-L195 HydrophobicContact CG2-CB 4.25Å; I185-L195 HydrophobicContact CG2-CD1 3.68Å; I185-Q196 HydrophobicContact CD1-CB 4.32Å; I185-Q196 HydrophobicContact CD1-CG 3.41Å; I185-Q196 VanDerWaalsContact CD1-CG 3.41Å; I185-I200 WeakPolarHBondContact CD1-O 3.4Å; I185-E201 PolarHBondContact N-O 3.38Å; I185-V203 HydrophobicContact CG2-CG1 4.21Å
186	V	96.5	Very high	94.8	Very high	70 Å²	70	41.9 Å²	41.9	42%	0.424	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	103.5	175.3	-178.1	0	0	0	0	108.8	T183 G184 V203 Y204 T205	T183-V186 HydrophobicContact CG2-CG2 3.9Å; G184-V186 PolarHBondContact O-N 2.94Å; V186-V203 PolarHBondContact N-O 2.75Å; V186-Y204 HydrophobicContact CB-CD1 3.95Å; V186-Y204 HydrophobicContact CG1-CD1 4.38Å; V186-Y204 HydrophobicContact CG2-CD1 3.89Å; V186-Y204 HydrophobicContact CG2-CE1 4Å; V186-T205 WeakPolarHBondContact O-CB 3.41Å; V186-T205 PolarHBondContact O-N 3.33Å; V186-T205 PolarHBondContact O-OG1 3.28Å
187	G	91.6	Very high	94.7	Very high	34 Å²	34	42.1 Å²	42.1	35%	0.351	26%	0.256	S	S	.	.	S	Bend	trans	-179.5	176.1	-179.9	0	0	0	0	0	114.5	T205	G187-T205 WeakPolarHBondContact CA-OG1 3.33Å
188	A	94	Very high	94.6	Very high	42 Å²	42	40.2 Å²	40.2	35%	0.347	25%	0.246	S	C	.	.			trans	-63	160	173.9	0	0	0	0	0	111.8	V190 P191 K192 F217	A188-V190 VanDerWaalsContact C-N 3.29Å; A188-V190 PolarHBondContact O-N 3.49Å; A188-V190 VanDerWaalsContact O-N 3.16Å; A188-P191 HydrophobicContact CB-CG 3.98Å; A188-P191 WeakPolarHBondContact O-CD 3.42Å; A188-P191 VanDerWaalsContact O-CG 3.25Å; A188-P191 WeakPolarHBondContact O-CG 3.24Å; A188-K192 VanDerWaalsContact O-CB 3.26Å; A188-K192 WeakPolarHBondContact O-CB 3.35Å; A188-K192 PolarHBondContact O-N 2.96Å; A188-F217 HydrophobicContact CB-CE1 3.86Å; A188-F217 HydrophobicContact CB-CZ 4.05Å
189	P	94	Very high	94.5	Very high	98 Å²	98	39.9 Å²	39.9	64%	0.636	25%	0.246	S	C	*	.	H	α-helix	trans	-56.6	-36.7	-174.6	-27.9	34.8	0	0	0	115	K193	P189-K193 VanDerWaalsContact O-CG 3.31Å; P189-K193 WeakPolarHBondContact O-CG 3.32Å; P189-K193 PolarHBondContact O-N 3.12Å; P189-K193 VanDerWaalsContact O-N 3.07Å
190	V	93.4	Very high	94.5	Very high	16 Å²	16	40 Å²	40	10%	0.097	25%	0.247	C	C	.	.	H	α-helix	trans	-69.9	-54.3	-178.1	174.3	0	0	0	0	113.3	L88 A188 K192 K193 L194 L214 F217 A218	L88-V190 HydrophobicContact CD1-CG1 4.26Å; A188-V190 VanDerWaalsContact C-N 3.29Å; A188-V190 PolarHBondContact O-N 3.49Å; A188-V190 VanDerWaalsContact O-N 3.16Å; V190-K192 PolarHBondContact O-N 3.32Å; V190-K193 PolarHBondContact O-N 3.41Å; V190-L194 PolarHBondContact O-N 2.73Å; V190-L214 HydrophobicContact CB-CD2 4.35Å; V190-L214 HydrophobicContact CG2-CD1 4.26Å; V190-L214 HydrophobicContact CG2-CD2 3.65Å; V190-L214 HydrophobicContact CG2-CG 4.48Å; V190-F217 HydrophobicContact CB-CD1 4.28Å; V190-F217 HydrophobicContact CB-CE1 4.43Å; V190-F217 HydrophobicContact CG1-CD1 4.48Å; V190-A218 HydrophobicContact CG1-CB 4.02Å
191	P	94.7	Very high	94.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-33.7	173.7	22.4	-32.4	0	0	0	111.8	A188 K193 L194 L195 F217 T221	A188-P191 HydrophobicContact CB-CG 3.98Å; A188-P191 WeakPolarHBondContact O-CD 3.42Å; A188-P191 VanDerWaalsContact O-CG 3.25Å; A188-P191 WeakPolarHBondContact O-CG 3.24Å; P191-K193 PolarHBondContact O-N 2.86Å; P191-L194 PolarHBondContact O-N 2.81Å; P191-L195 HydrophobicContact CB-CD1 4.48Å; P191-L195 WeakPolarHBondContact O-CB 3.39Å; P191-L195 WeakPolarHBondContact O-CD1 3.46Å; P191-L195 WeakPolarHBondContact O-CG 3.2Å; P191-L195 PolarHBondContact O-N 2.82Å; P191-F217 HydrophobicContact CG-CE1 3.84Å; P191-F217 HydrophobicContact CG-CE2 4.44Å; P191-F217 HydrophobicContact CG-CZ 3.59Å; P191-T221 HydrophobicContact CB-CG2 3.76Å
192	K	95.2	Very high	94.7	Very high	88 Å²	88	38.4 Å²	38.4	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-57	-49.9	176.1	-173.1	168.5	-175.5	172	0	111.8	I185 A188 V190 L195 Q196	I185-K192 HydrophobicContact CB-CG 4.17Å; I185-K192 HydrophobicContact CG2-CB 4.15Å; I185-K192 HydrophobicContact CG2-CG 3.99Å; A188-K192 VanDerWaalsContact O-CB 3.26Å; A188-K192 WeakPolarHBondContact O-CB 3.35Å; A188-K192 PolarHBondContact O-N 2.96Å; V190-K192 PolarHBondContact O-N 3.32Å; K192-L195 PolarHBondContact O-N 2.97Å; K192-Q196 WeakPolarHBondContact O-CB 3.34Å; K192-Q196 VanDerWaalsContact O-CG 3.3Å; K192-Q196 WeakPolarHBondContact O-CG 3.35Å; K192-Q196 PolarHBondContact O-N 3.27Å
193	K	94.8	Very high	94.9	Very high	71 Å²	71	34.8 Å²	34.8	31%	0.309	20%	0.204	S	C	.	.	H	α-helix	trans	-59.7	-47	175.5	-74.5	171	173.8	-144.7	0	112.9	E86 L88 P189 V190 P191 L195 Q196 M197	E86-K193 WeakPolarHBondContact OE1-CD 3.15Å; E86-K193 WeakPolarHBondContact OE1-CE 3.35Å; E86-K193 IonicContact OE1-NZ 3.76Å; E86-K193 PolarHBondContact OE1-NZ 3.28Å; E86-K193 WeakPolarHBondContact OE2-CB 3.49Å; E86-K193 WeakPolarHBondContact OE2-CG 3.35Å; L88-K193 HydrophobicContact CD2-CB 4.04Å; L88-K193 HydrophobicContact CD2-CD 3.94Å; P189-K193 VanDerWaalsContact O-CG 3.31Å; P189-K193 WeakPolarHBondContact O-CG 3.32Å; P189-K193 PolarHBondContact O-N 3.12Å; P189-K193 VanDerWaalsContact O-N 3.07Å; V190-K193 PolarHBondContact O-N 3.41Å; P191-K193 PolarHBondContact O-N 2.86Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 3.37Å; K193-Q196 PolarHBondContact O-N 3.11Å; K193-M197 HydrophobicContact CB-CE 4.29Å; K193-M197 VanDerWaalsContact O-CE 3.32Å; K193-M197 WeakPolarHBondContact O-CE 3.39Å; K193-M197 PolarHBondContact O-N 3.1Å
194	L	95.2	Very high	95	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-41.6	177.8	-82.3	169.6	0	0	0	113	L88 A110 V118 L120 V190 P191 M197 A198 A218 T221	L88-L194 HydrophobicContact CD1-CG 4.39Å; A110-L194 HydrophobicContact CB-CD2 3.49Å; A110-L194 VanDerWaalsContact CB-CD2 3.49Å; A110-L194 HydrophobicContact CB-CG 4.4Å; V118-L194 HydrophobicContact CG1-CD2 3.97Å; L120-L194 HydrophobicContact CD1-CD2 4.45Å; V190-L194 PolarHBondContact O-N 2.73Å; P191-L194 PolarHBondContact O-N 2.81Å; L194-M197 HydrophobicContact CD2-CE 4.48Å; L194-M197 PolarHBondContact O-N 2.87Å; L194-A198 PolarHBondContact O-N 3.39Å; L194-A218 HydrophobicContact CD1-CB 4.11Å; L194-T221 HydrophobicContact CB-CG2 4.31Å; L194-T221 HydrophobicContact CD1-CG2 4.18Å
195	L	96	Very high	95.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-72.7	-34.5	179.2	-68.8	164.1	0	0	0	112.1	L176 I185 P191 K192 K193 A198 G199 I200 V203 T205 I225	L176-L195 HydrophobicContact CD1-CD2 4.01Å; L176-L195 HydrophobicContact CD2-CD1 4.05Å; L176-L195 HydrophobicContact CD2-CD2 4.04Å; I185-L195 HydrophobicContact CD1-CB 3.77Å; I185-L195 HydrophobicContact CG1-CB 4.24Å; I185-L195 HydrophobicContact CG2-CB 4.25Å; I185-L195 HydrophobicContact CG2-CD1 3.68Å; P191-L195 HydrophobicContact CB-CD1 4.48Å; P191-L195 WeakPolarHBondContact O-CB 3.39Å; P191-L195 WeakPolarHBondContact O-CD1 3.46Å; P191-L195 WeakPolarHBondContact O-CG 3.2Å; P191-L195 PolarHBondContact O-N 2.82Å; K192-L195 PolarHBondContact O-N 2.97Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 3.37Å; L195-A198 WeakPolarHBondContact O-CB 3.5Å; L195-A198 PolarHBondContact O-N 3.04Å; L195-G199 PolarHBondContact O-N 3.48Å; L195-I200 HydrophobicContact CD2-CD1 3.67Å; L195-I200 PolarHBondContact O-N 2.8Å; L195-I200 VanDerWaalsContact O-N 3.09Å; L195-V203 HydrophobicContact CD1-CG1 3.54Å; L195-V203 HydrophobicContact CD2-CG1 4.44Å; L195-T205 HydrophobicContact CD1-CG2 3.74Å; L195-I225 HydrophobicContact CD2-CD1 3.9Å; L195-I225 HydrophobicContact CD2-CG1 4.01Å
196	Q	95.2	Very high	95.1	Very high	88 Å²	88	39.4 Å²	39.4	41%	0.411	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-46.2	171.3	-75.7	177.1	-32	0	0	111.3	H114 I185 K192 K193 A198 G199	H114-Q196 PolarHBondContact CD2-O 2.79Å; H114-Q196 VanDerWaalsContact CD2-O 3.28Å; I185-Q196 HydrophobicContact CD1-CB 4.32Å; I185-Q196 HydrophobicContact CD1-CG 3.41Å; I185-Q196 VanDerWaalsContact CD1-CG 3.41Å; K192-Q196 WeakPolarHBondContact O-CB 3.34Å; K192-Q196 VanDerWaalsContact O-CG 3.3Å; K192-Q196 WeakPolarHBondContact O-CG 3.35Å; K192-Q196 PolarHBondContact O-N 3.27Å; K193-Q196 PolarHBondContact O-N 3.11Å; Q196-A198 PolarHBondContact O-N 2.87Å; Q196-G199 PolarHBondContact O-N 3.43Å
197	M	94.6	Very high	95	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-30	174.5	-80.9	-178.4	-79	0	0	112.6	E86 A110 H114 V118 K193 L194 G199	E86-M197 HydrophobicContact CB-CE 4.09Å; E86-M197 HydrophobicContact CB-SD 4.07Å; A110-M197 HydrophobicContact CB-CE 3.29Å; A110-M197 HydrophobicContact CB-SD 3.92Å; H114-M197 VanDerWaalsContact CA-O 3.27Å; H114-M197 WeakPolarHBondContact CA-O 3.29Å; H114-M197 PolarHBondContact N-O 3.04Å; V118-M197 HydrophobicContact CG2-CB 4.34Å; K193-M197 HydrophobicContact CB-CE 4.29Å; K193-M197 VanDerWaalsContact O-CE 3.32Å; K193-M197 WeakPolarHBondContact O-CE 3.39Å; K193-M197 PolarHBondContact O-N 3.1Å; L194-M197 HydrophobicContact CD2-CE 4.48Å; L194-M197 PolarHBondContact O-N 2.87Å; M197-G199 PolarHBondContact O-N 3.06Å
198	A	94.7	Very high	95.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-16.1	172	0	0	0	0	0	114	C116 V118 V146 L194 L195 Q196 I200	C116-A198 VanDerWaalsContact CA-O 3.25Å; C116-A198 WeakPolarHBondContact CA-O 3.24Å; C116-A198 PolarHBondContact N-O 3.31Å; V118-A198 HydrophobicContact CG2-CB 3.43Å; V118-A198 VanDerWaalsContact CG2-CB 3.43Å; V118-A198 VanDerWaalsContact CG2-N 3.26Å; V146-A198 HydrophobicContact CB-CB 4.43Å; V146-A198 HydrophobicContact CG1-CB 4.21Å; V146-A198 HydrophobicContact CG2-CB 3.95Å; L194-A198 PolarHBondContact O-N 3.39Å; L195-A198 WeakPolarHBondContact O-CB 3.5Å; L195-A198 PolarHBondContact O-N 3.04Å; Q196-A198 PolarHBondContact O-N 2.87Å; A198-I200 VanDerWaalsContact C-N 3.31Å; A198-I200 HydrophobicContact CB-CD1 4.16Å; A198-I200 HydrophobicContact CB-CG1 4.23Å
199	G	93.9	Very high	95.3	Very high	9 Å²	9	46.3 Å²	46.3	9%	0.093	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	20.8	-172.6	0	0	0	0	0	113.8	H114 K148 L195 Q196 M197	H114-G199 WeakPolarHBondContact O-CA 3.49Å; K148-G199 WeakPolarHBondContact CD-O 3.3Å; K148-G199 PolarHBondContact NZ-O 3.31Å; L195-G199 PolarHBondContact O-N 3.48Å; Q196-G199 PolarHBondContact O-N 3.43Å; M197-G199 PolarHBondContact O-N 3.06Å
200	I	95.4	Very high	95.3	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.015	24%	0.239	C	C	.	.			trans	-82.7	126.2	169.3	-65.6	165.7	0	0	0	107.3	V146 K148 V161 I185 L195 A198 V203	V146-I200 HydrophobicContact CG1-CD1 3.88Å; V146-I200 HydrophobicContact CG1-CG1 4.29Å; K148-I200 HydrophobicContact CG-CG1 4.44Å; V161-I200 HydrophobicContact CG2-CD1 3.85Å; V161-I200 HydrophobicContact CG2-CG2 4.42Å; I185-I200 WeakPolarHBondContact CD1-O 3.4Å; L195-I200 HydrophobicContact CD2-CD1 3.67Å; L195-I200 PolarHBondContact O-N 2.8Å; L195-I200 VanDerWaalsContact O-N 3.09Å; A198-I200 VanDerWaalsContact C-N 3.31Å; A198-I200 HydrophobicContact CB-CD1 4.16Å; A198-I200 HydrophobicContact CB-CG1 4.23Å; I200-V203 HydrophobicContact CG2-CB 4.07Å; I200-V203 HydrophobicContact CG2-CG1 4.47Å
201	E	94.4	Very high	95.3	Very high	115 Å²	115	49.2 Å²	49.2	54%	0.537	25%	0.252	S	S	.	.			trans	-92.5	-44.5	-176.3	-65.8	173.4	-175.8	0	0	110.9	H159 G184 I185	H159-E201 HydrophobicContact CB-CB 4.27Å; H159-E201 PolarHBondContact O-N 3.15Å; G184-E201 CarbonylContact C-O 3.45Å; G184-E201 VanDerWaalsContact CA-O 3.24Å; G184-E201 WeakPolarHBondContact CA-O 3.44Å; I185-E201 PolarHBondContact N-O 3.38Å
202	D	95.9	Very high	95.3	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.032	28%	0.28	C	S	.	.			trans	-124.5	120.3	-173.6	-56.8	-68.6	0	0	0	111	H159 T160 A179 R181 G182 T183 G184	H159-D202 IonicContact CD2-OD2 2.64Å; H159-D202 PolarHBondContact CD2-OD2 3.34Å; H159-D202 IonicContact CG-OD2 3.65Å; H159-D202 PolarHBondContact O-N 3.22Å; T160-D202 WeakPolarHBondContact CA-O 3.34Å; T160-D202 VanDerWaalsContact CB-O 3.23Å; T160-D202 WeakPolarHBondContact CB-O 3.1Å; T160-D202 PolarHBondContact OG1-O 2.99Å; A179-D202 HydrophobicContact CB-CB 4.17Å; R181-D202 WeakPolarHBondContact CA-OD2 3.35Å; G182-D202 WeakPolarHBondContact CA-OD1 3.42Å; G182-D202 PolarHBondContact N-OD1 3.33Å; G182-D202 PolarHBondContact N-OD2 3.13Å; T183-D202 PolarHBondContact N-OD1 3.49Å; G184-D202 PolarHBondContact N-OD1 2.67Å
203	V	96.8	Very high	95.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	141.1	171.4	87.4	0	0	0	0	111	V161 L176 I177 G184 I185 V186 L195 I200 T205	V161-V203 HydrophobicContact CB-CG2 4.39Å; V161-V203 HydrophobicContact CG2-CG2 3.65Å; L176-V203 HydrophobicContact CB-CG2 4.12Å; L176-V203 HydrophobicContact CD2-CG1 4.46Å; I177-V203 WeakPolarHBondContact O-CG2 3.33Å; G184-V203 PolarHBondContact O-N 3.12Å; G184-V203 VanDerWaalsContact O-N 3.16Å; I185-V203 HydrophobicContact CG2-CG1 4.21Å; V186-V203 PolarHBondContact N-O 2.75Å; L195-V203 HydrophobicContact CD1-CG1 3.54Å; L195-V203 HydrophobicContact CD2-CG1 4.44Å; I200-V203 HydrophobicContact CG2-CB 4.07Å; I200-V203 HydrophobicContact CG2-CG1 4.47Å; V203-T205 HydrophobicContact CG1-CG2 3.82Å
204	Y	97.1	Very high	95	Very high	97 Å²	97	49.9 Å²	49.9	38%	0.38	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.6	164.2	-63.6	-64.7	0	0	0	109.2	I177 A179 T183 V186	I177-Y204 PolarHBondContact N-O 2.94Å; I177-Y204 PolarHBondContact O-N 2.9Å; A179-Y204 HydrophobicContact CB-CD2 3.63Å; A179-Y204 HydrophobicContact CB-CE2 3.63Å; A179-Y204 HydrophobicContact CB-CG 4.26Å; T183-Y204 HydrophobicContact CG2-CD1 4.17Å; T183-Y204 HydrophobicContact CG2-CE1 3.41Å; T183-Y204 VanDerWaalsContact CG2-CE1 3.41Å; T183-Y204 HydrophobicContact CG2-CE2 4.35Å; V186-Y204 HydrophobicContact CB-CD1 3.95Å; V186-Y204 HydrophobicContact CG1-CD1 4.38Å; V186-Y204 HydrophobicContact CG2-CD1 3.89Å; V186-Y204 HydrophobicContact CG2-CE1 4Å
205	T	97.1	Very high	95	Very high	34 Å²	34	50.4 Å²	50.4	21%	0.209	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.5	173.5	69.7	0	0	0	0	110.6	R175 L176 V186 G187 L195 V203	R175-T205 WeakPolarHBondContact O-CA 3.42Å; L176-T205 HydrophobicContact CD2-CG2 3.77Å; V186-T205 WeakPolarHBondContact O-CB 3.41Å; V186-T205 PolarHBondContact O-N 3.33Å; V186-T205 PolarHBondContact O-OG1 3.28Å; G187-T205 WeakPolarHBondContact CA-OG1 3.33Å; L195-T205 HydrophobicContact CD1-CG2 3.74Å; V203-T205 HydrophobicContact CG1-CG2 3.82Å
206	S	95.9	Very high	95	Very high	50 Å²	50	53.2 Å²	53.2	35%	0.35	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.2	165.9	71.5	0	0	0	0	108.6	R175	R175-S206 WeakPolarHBondContact CB-OG 3.28Å; R175-S206 PolarHBondContact N-O 3.38Å; R175-S206 PolarHBondContact O-N 2.75Å
207	A	95.9	Very high	95	Very high	44 Å²	44	49.5 Å²	49.5	36%	0.364	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.1	178.7	0	0	0	0	0	110.1	S173 V174 T211 F217	S173-A207 CarbonylContact O-C 3.56Å; S173-A207 VanDerWaalsContact O-CA 3.26Å; S173-A207 WeakPolarHBondContact O-CA 3.36Å; V174-A207 HydrophobicContact CG2-CB 4.39Å; A207-T211 HydrophobicContact CB-CG2 3.71Å; A207-F217 HydrophobicContact CB-CE2 3.69Å; A207-F217 HydrophobicContact CB-CZ 4.26Å
208	R	96	Very high	95.1	Very high	197 Å²	197	49.3 Å²	49.3	74%	0.743	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.8	172.3	-67.3	-176	-180	174.9	-1	109.9	V172 S173	V172-R208 WeakPolarHBondContact CA-O 3.27Å; S173-R208 PolarHBondContact N-O 3.4Å; S173-R208 PolarHBondContact O-N 3.31Å
209	G	95	Very high	95.2	Very high	51 Å²	51	53.4 Å²	53.4	53%	0.526	29%	0.291	S	S	.	.	S	Bend	trans	91.5	-162.5	-175.8	0	0	0	0	0	113.2	T211	G209-T211 PolarHBondContact O-N 3.11Å
210	Q	94.8	Very high	95.3	Very high	114 Å²	114	53 Å²	53	53%	0.533	29%	0.286	S	S	.	.			trans	-82.8	76.4	-170.6	-167	172.6	-16.1	0	0	112.7	V172 S212 T213	V172-Q210 VanDerWaalsContact CG2-O 3.3Å; V172-Q210 WeakPolarHBondContact CG2-O 3.36Å; Q210-S212 WeakPolarHBondContact CG-OG 3.36Å; Q210-S212 PolarHBondContact O-N 2.97Å; Q210-T213 HydrophobicContact CG-CG2 4.17Å; Q210-T213 PolarHBondContact O-N 3.16Å; Q210-T213 VanDerWaalsContact O-N 3.16Å; Q210-T213 PolarHBondContact O-OG1 2.65Å
211	T	93.5	Very high	95.4	Very high	61 Å²	61	52.8 Å²	52.8	37%	0.374	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.5	-177.9	54.5	0	0	0	0	114.3	V172 A207 G209 T213 F217	V172-T211 HydrophobicContact CG1-CG2 4.46Å; A207-T211 HydrophobicContact CB-CG2 3.71Å; G209-T211 PolarHBondContact O-N 3.11Å; T211-T213 PolarHBondContact O-N 3.49Å; T211-F217 HydrophobicContact CG2-CD2 4.33Å; T211-F217 HydrophobicContact CG2-CE2 4.14Å; T211-F217 HydrophobicContact CG2-CZ 4.49Å
212	S	93.1	Very high	95.5	Very high	84 Å²	84	49 Å²	49	59%	0.587	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.1	173	60.8	0	0	0	0	113	Q210 L214	Q210-S212 WeakPolarHBondContact CG-OG 3.36Å; Q210-S212 PolarHBondContact O-N 2.97Å; S212-L214 VanDerWaalsContact C-N 3.34Å; S212-L214 PolarHBondContact O-N 2.93Å
213	T	93.5	Very high	95.5	Very high	45 Å²	45	50.4 Å²	50.4	28%	0.276	28%	0.279	S	S	.	.			trans	-79.1	79.4	175.1	60.9	0	0	0	0	111.5	Q210 T211 G215 N216 F217	Q210-T213 HydrophobicContact CG-CG2 4.17Å; Q210-T213 PolarHBondContact O-N 3.16Å; Q210-T213 VanDerWaalsContact O-N 3.16Å; Q210-T213 PolarHBondContact O-OG1 2.65Å; T211-T213 PolarHBondContact O-N 3.49Å; T213-G215 PolarHBondContact O-N 3.32Å; T213-N216 PolarHBondContact O-N 3.42Å; T213-F217 PolarHBondContact O-N 2.85Å
214	L	92	Very high	95.5	Very high	44 Å²	44	50.4 Å²	50.4	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-53.3	-30.9	-174.3	-71.5	-173.8	0	0	0	115	K89 V190 S212 F217 A218	K89-L214 HydrophobicContact CB-CD1 4.32Å; K89-L214 HydrophobicContact CD-CB 4.09Å; K89-L214 HydrophobicContact CD-CD1 3.58Å; K89-L214 HydrophobicContact CD-CG 4.3Å; K89-L214 HydrophobicContact CG-CD1 4.16Å; V190-L214 HydrophobicContact CB-CD2 4.35Å; V190-L214 HydrophobicContact CG2-CD1 4.26Å; V190-L214 HydrophobicContact CG2-CD2 3.65Å; V190-L214 HydrophobicContact CG2-CG 4.48Å; S212-L214 VanDerWaalsContact C-N 3.34Å; S212-L214 PolarHBondContact O-N 2.93Å; L214-F217 HydrophobicContact CD2-CD1 4.11Å; L214-A218 VanDerWaalsContact O-CB 3.3Å; L214-A218 WeakPolarHBondContact O-CB 3.49Å; L214-A218 PolarHBondContact O-N 2.95Å
215	G	93.5	Very high	95.4	Very high	11 Å²	11	45.9 Å²	45.9	11%	0.113	26%	0.261	C	S	.	.	H	α-helix	trans	-65.2	-43.1	175.8	0	0	0	0	0	113.9	T213 K219	T213-G215 PolarHBondContact O-N 3.32Å; G215-K219 VanDerWaalsContact O-CG 3.28Å; G215-K219 WeakPolarHBondContact O-CG 3.45Å; G215-K219 PolarHBondContact O-N 2.83Å
216	N	95.9	Very high	95.3	Very high	59 Å²	59	51.8 Å²	51.8	32%	0.316	28%	0.28	S	S	.	.	H	α-helix	trans	-77.2	-36.3	177.3	-68.9	-17	0	0	0	110.6	V172 T213 K219 A220	V172-N216 HydrophobicContact CG2-CB 4.24Å; T213-N216 PolarHBondContact O-N 3.42Å; N216-K219 PolarHBondContact O-N 3.02Å; N216-A220 WeakPolarHBondContact O-CB 3.42Å; N216-A220 PolarHBondContact O-N 2.88Å
217	F	96.4	Very high	95.3	Very high	10 Å²	10	49.9 Å²	49.9	4%	0.044	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-47.3	177.4	-171.5	-142.1	0	0	0	112.1	V172 V174 A188 V190 P191 A207 T211 T213 L214 K219 A220 T221	V172-F217 HydrophobicContact CG1-CB 4.44Å; V172-F217 HydrophobicContact CG1-CD2 3.75Å; V174-F217 HydrophobicContact CG2-CD2 3.7Å; V174-F217 HydrophobicContact CG2-CE2 3.61Å; A188-F217 HydrophobicContact CB-CE1 3.86Å; A188-F217 HydrophobicContact CB-CZ 4.05Å; V190-F217 HydrophobicContact CB-CD1 4.28Å; V190-F217 HydrophobicContact CB-CE1 4.43Å; V190-F217 HydrophobicContact CG1-CD1 4.48Å; P191-F217 HydrophobicContact CG-CE1 3.84Å; P191-F217 HydrophobicContact CG-CE2 4.44Å; P191-F217 HydrophobicContact CG-CZ 3.59Å; A207-F217 HydrophobicContact CB-CE2 3.69Å; A207-F217 HydrophobicContact CB-CZ 4.26Å; T211-F217 HydrophobicContact CG2-CD2 4.33Å; T211-F217 HydrophobicContact CG2-CE2 4.14Å; T211-F217 HydrophobicContact CG2-CZ 4.49Å; T213-F217 PolarHBondContact O-N 2.85Å; L214-F217 HydrophobicContact CD2-CD1 4.11Å; F217-K219 VanDerWaalsContact C-N 3.35Å; F217-K219 PolarHBondContact O-N 2.86Å; F217-A220 PolarHBondContact O-N 2.84Å; F217-T221 PolarHBondContact O-N 3.29Å; F217-T221 PolarHBondContact O-OG1 2.92Å; F217-T221 VanDerWaalsContact O-OG1 3.05Å
218	A	96.1	Very high	95.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-60.5	-42.8	175.1	0	0	0	0	0	112.2	L88 I108 L120 V190 L194 L214 T221 Y222	L88-A218 HydrophobicContact CD1-CB 4.25Å; I108-A218 HydrophobicContact CG2-CB 4.47Å; L120-A218 HydrophobicContact CD1-CB 4.24Å; L120-A218 HydrophobicContact CD2-CB 4.3Å; V190-A218 HydrophobicContact CG1-CB 4.02Å; L194-A218 HydrophobicContact CD1-CB 4.11Å; L214-A218 VanDerWaalsContact O-CB 3.3Å; L214-A218 WeakPolarHBondContact O-CB 3.49Å; L214-A218 PolarHBondContact O-N 2.95Å; A218-T221 PolarHBondContact O-N 3.17Å; A218-Y222 VanDerWaalsContact O-CB 3.31Å; A218-Y222 WeakPolarHBondContact O-CB 3.3Å; A218-Y222 PolarHBondContact O-N 3.36Å
219	K	96.8	Very high	95	Very high	86 Å²	86	44.1 Å²	44.1	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-64.8	-38.8	176.3	-74.8	178.1	177.7	-169.8	0	112.9	L120 C169 G215 N216 F217 Y222 A223	L120-K219 HydrophobicContact CD2-CB 4.44Å; L120-K219 HydrophobicContact CD2-CG 3.8Å; C169-K219 HydrophobicContact CB-CB 3.92Å; G215-K219 VanDerWaalsContact O-CG 3.28Å; G215-K219 WeakPolarHBondContact O-CG 3.45Å; G215-K219 PolarHBondContact O-N 2.83Å; N216-K219 PolarHBondContact O-N 3.02Å; F217-K219 VanDerWaalsContact C-N 3.35Å; F217-K219 PolarHBondContact O-N 2.86Å; K219-Y222 PolarHBondContact O-N 3.08Å; K219-A223 WeakPolarHBondContact O-CB 3.26Å; K219-A223 PolarHBondContact O-N 2.83Å
220	A	97.1	Very high	94.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-42.6	177.5	0	0	0	0	0	111.1	C169 V172 V174 N216 F217 A223 A224	C169-A220 HydrophobicContact CB-CB 3.95Å; V172-A220 HydrophobicContact CB-CB 4.48Å; V172-A220 HydrophobicContact CG1-CB 4.28Å; V174-A220 HydrophobicContact CB-CB 4.41Å; V174-A220 HydrophobicContact CG2-CB 3.77Å; N216-A220 WeakPolarHBondContact O-CB 3.42Å; N216-A220 PolarHBondContact O-N 2.88Å; F217-A220 PolarHBondContact O-N 2.84Å; A220-A223 PolarHBondContact O-N 2.93Å; A220-A224 PolarHBondContact O-N 3.43Å
221	T	96.4	Very high	94.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-46.8	173.2	-51.3	0	0	0	0	111.4	P191 L194 F217 A218 A223 A224 I225	P191-T221 HydrophobicContact CB-CG2 3.76Å; L194-T221 HydrophobicContact CB-CG2 4.31Å; L194-T221 HydrophobicContact CD1-CG2 4.18Å; F217-T221 PolarHBondContact O-N 3.29Å; F217-T221 PolarHBondContact O-OG1 2.92Å; F217-T221 VanDerWaalsContact O-OG1 3.05Å; A218-T221 PolarHBondContact O-N 3.17Å; T221-A223 VanDerWaalsContact C-N 3.31Å; T221-A223 PolarHBondContact O-N 3.44Å; T221-A224 WeakPolarHBondContact O-CB 2.98Å; T221-A224 PolarHBondContact O-N 3.01Å; T221-A224 VanDerWaalsContact O-N 3.12Å; T221-I225 HydrophobicContact CG2-CD1 4.23Å; T221-I225 WeakPolarHBondContact O-CG1 3.09Å; T221-I225 PolarHBondContact O-N 2.94Å
222	Y	96.6	Very high	94.3	Very high	35 Å²	35	52.3 Å²	52.3	14%	0.137	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-39.8	177.2	174.3	-93.2	0	0	0	112.4	V118 L120 S142 I144 A218 K219 I225 R226	V118-Y222 HydrophobicContact CG1-CD2 4.33Å; L120-Y222 HydrophobicContact CB-CD2 3.75Å; L120-Y222 HydrophobicContact CB-CE2 4.02Å; L120-Y222 HydrophobicContact CB-CG 4.05Å; L120-Y222 HydrophobicContact CD2-CG 4.29Å; S142-Y222 PolarHBondContact O-OH 2.81Å; I144-Y222 HydrophobicContact CD1-CE1 3.66Å; I144-Y222 HydrophobicContact CD1-CE2 4.15Å; I144-Y222 WeakPolarHBondContact CD1-OH 3.4Å; I144-Y222 HydrophobicContact CG1-CE2 4.38Å; I144-Y222 WeakPolarHBondContact CG1-OH 3.39Å; A218-Y222 VanDerWaalsContact O-CB 3.31Å; A218-Y222 WeakPolarHBondContact O-CB 3.3Å; A218-Y222 PolarHBondContact O-N 3.36Å; K219-Y222 PolarHBondContact O-N 3.08Å; Y222-I225 PolarHBondContact O-N 3.1Å; Y222-R226 PolarHBondContact O-N 2.97Å
223	A	96.3	Very high	94.2	Very high	35 Å²	35	49 Å²	49	29%	0.289	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-39	173.4	0	0	0	0	0	112.3	K219 A220 T221 I225 R226 A227	K219-A223 WeakPolarHBondContact O-CB 3.26Å; K219-A223 PolarHBondContact O-N 2.83Å; A220-A223 PolarHBondContact O-N 2.93Å; T221-A223 VanDerWaalsContact C-N 3.31Å; T221-A223 PolarHBondContact O-N 3.44Å; A223-I225 VanDerWaalsContact C-N 3.32Å; A223-I225 PolarHBondContact O-N 3.44Å; A223-R226 PolarHBondContact O-N 3.15Å; A223-A227 PolarHBondContact O-N 3.14Å
224	A	96.4	Very high	94	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-39.8	175.5	0	0	0	0	0	111.5	V165 L176 A220 T221 A227	V165-A224 WeakPolarHBondContact CG1-O 3.38Å; L176-A224 HydrophobicContact CD1-CB 3.94Å; L176-A224 HydrophobicContact CG-CB 4.03Å; A220-A224 PolarHBondContact O-N 3.43Å; T221-A224 WeakPolarHBondContact O-CB 2.98Å; T221-A224 PolarHBondContact O-N 3.01Å; T221-A224 VanDerWaalsContact O-N 3.12Å; A224-A227 PolarHBondContact O-N 3.02Å
225	I	95.6	Very high	93.8	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-45	175.6	-67.8	170.3	0	0	0	110.5	V146 L176 L195 T221 Y222 A223 A227 T228	V146-I225 HydrophobicContact CB-CG2 4.03Å; V146-I225 HydrophobicContact CG1-CG2 3.73Å; V146-I225 HydrophobicContact CG2-CG2 3.26Å; L176-I225 HydrophobicContact CD1-CG1 4.01Å; L195-I225 HydrophobicContact CD2-CD1 3.9Å; L195-I225 HydrophobicContact CD2-CG1 4.01Å; T221-I225 HydrophobicContact CG2-CD1 4.23Å; T221-I225 WeakPolarHBondContact O-CG1 3.09Å; T221-I225 PolarHBondContact O-N 2.94Å; Y222-I225 PolarHBondContact O-N 3.1Å; A223-I225 VanDerWaalsContact C-N 3.32Å; A223-I225 PolarHBondContact O-N 3.44Å; I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 3.36Å; I225-T228 VanDerWaalsContact O-CB 3.32Å; I225-T228 WeakPolarHBondContact O-CB 3.31Å; I225-T228 WeakPolarHBondContact O-CG2 3.35Å; I225-T228 PolarHBondContact O-N 2.81Å; I225-T228 VanDerWaalsContact O-N 3.16Å; I225-T228 PolarHBondContact O-OG1 2.87Å
226	R	94.8	Very high	93.7	Very high	158 Å²	158	56.8 Å²	56.8	60%	0.596	27%	0.274	S	S	*	.	H	α-helix	trans	-58.1	-42.1	177	179.9	-177.6	-174.5	-178.9	-1.6	112.6	I144 Y222 A223 T228 Y229	I144-R226 HydrophobicContact CD1-CB 3.98Å; I144-R226 HydrophobicContact CD1-CG 3.74Å; I144-R226 HydrophobicContact CG2-CB 4.07Å; I144-R226 HydrophobicContact CG2-CG 4.05Å; Y222-R226 PolarHBondContact O-N 2.97Å; A223-R226 PolarHBondContact O-N 3.15Å; R226-T228 PolarHBondContact O-N 3.34Å; R226-Y229 PolarHBondContact O-N 2.99Å
227	A	94.9	Very high	93.5	Very high	11 Å²	11	62 Å²	62	9%	0.091	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-6	-178.3	0	0	0	0	0	113.7	V165 A223 A224 I225 Y229 E230 Y231	V165-A227 HydrophobicContact CG1-CB 3.4Å; A223-A227 PolarHBondContact O-N 3.14Å; A224-A227 PolarHBondContact O-N 3.02Å; I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 3.36Å; A227-Y229 VanDerWaalsContact C-N 3.3Å; A227-Y229 PolarHBondContact O-N 2.84Å; A227-E230 WeakPolarHBondContact O-CB 3.37Å; A227-E230 PolarHBondContact O-N 3.49Å; A227-E230 VanDerWaalsContact O-N 3.17Å; A227-Y231 PolarHBondContact O-N 2.94Å
228	T	94.1	Very high	93.2	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.006	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-32.6	175.9	60.5	0	0	0	0	113.7	R147 V161 V165 I225 R226	R147-T228 PolarHBondContact N-OG1 3.3Å; R147-T228 VanDerWaalsContact N-OG1 3.13Å; V161-T228 HydrophobicContact CG1-CG2 3.76Å; V165-T228 HydrophobicContact CG2-CG2 4.11Å; I225-T228 VanDerWaalsContact O-CB 3.32Å; I225-T228 WeakPolarHBondContact O-CB 3.31Å; I225-T228 WeakPolarHBondContact O-CG2 3.35Å; I225-T228 PolarHBondContact O-N 2.81Å; I225-T228 VanDerWaalsContact O-N 3.16Å; I225-T228 PolarHBondContact O-OG1 2.87Å; R226-T228 PolarHBondContact O-N 3.34Å
229	Y	92.5	Very high	92.8	Very high	119 Å²	119	74.6 Å²	74.6	47%	0.467	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-15	173.2	-83.1	-73.1	0	0	0	113.6	P145 R147 R226 A227 Y231	P145-Y229 HydrophobicContact CB-CD2 4.17Å; P145-Y229 HydrophobicContact CB-CE2 3.65Å; P145-Y229 HydrophobicContact CG-CD2 4.04Å; P145-Y229 HydrophobicContact CG-CE2 4.01Å; P145-Y229 WeakPolarHBondContact O-CD2 3.42Å; P145-Y229 WeakPolarHBondContact O-CE2 3.08Å; R147-Y229 HydrophobicContact CB-CD1 4.05Å; R147-Y229 HydrophobicContact CB-CD2 3.86Å; R147-Y229 HydrophobicContact CB-CE1 3.84Å; R147-Y229 HydrophobicContact CB-CE2 3.65Å; R147-Y229 HydrophobicContact CB-CG 4.05Å; R147-Y229 HydrophobicContact CG-CD1 4.37Å; R147-Y229 HydrophobicContact CG-CE1 3.98Å; R226-Y229 PolarHBondContact O-N 2.99Å; A227-Y229 VanDerWaalsContact C-N 3.3Å; A227-Y229 PolarHBondContact O-N 2.84Å; Y229-Y231 VanDerWaalsContact C-N 3.33Å
230	E	90.4	Very high	92.3	Very high	160 Å²	160	75.4 Å²	75.4	75%	0.748	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-28.6	178.8	-166.6	173.2	-179.6	0	0	111.5	A227 L232	A227-E230 WeakPolarHBondContact O-CB 3.37Å; A227-E230 PolarHBondContact O-N 3.49Å; A227-E230 VanDerWaalsContact O-N 3.17Å; E230-L232 PolarHBondContact O-N 2.98Å
231	Y	89	Confident	91.8	Very high	121 Å²	121	80.7 Å²	80.7	48%	0.475	41%	0.408	S	S	.	.	S	Bend	trans	-77.5	116.9	174.4	-88.2	-79.9	0	0	0	112.1	V165 A227 Y229 T233	V165-Y231 HydrophobicContact CG2-CD2 4.44Å; A227-Y231 PolarHBondContact O-N 2.94Å; Y229-Y231 VanDerWaalsContact C-N 3.33Å; Y231-T233 PolarHBondContact O-N 3.41Å
232	L	89.6	Confident	91.2	Very high	117 Å²	117	90.8 Å²	90.8	61%	0.613	45%	0.452	S	S	*	.			trans	-74.2	117.6	169	-169.2	72.9	0	0	0	109.8	E230 L236	E230-L232 PolarHBondContact O-N 2.98Å; L232-L236 HydrophobicContact CD1-CB 3.76Å
233	T	89.6	Confident	90.8	Very high	13 Å²	13	92.4 Å²	92.4	8%	0.08	47%	0.468	C	S	.	.			trans	-104.9	159.8	170.3	65.9	0	0	0	0	109.6	R147 Y231 D235 L236 W237	R147-T233 PolarHBondContact NH1-OG1 3.46Å; R147-T233 PolarHBondContact NH2-OG1 3.38Å; Y231-T233 PolarHBondContact O-N 3.41Å; T233-D235 WeakPolarHBondContact CB-OD2 3.39Å; T233-D235 PolarHBondContact O-N 2.64Å; T233-D235 PolarHBondContact OG1-OD2 3.45Å; T233-L236 PolarHBondContact O-N 3.01Å; T233-W237 VanDerWaalsContact O-CD1 3.29Å
234	P	90.6	Very high	90.6	Very high	83 Å²	83	98.1 Å²	98.1	54%	0.539	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-51.7	-31	-179.5	-29.7	36.7	0	0	0	114.8	L236 W237	P234-L236 PolarHBondContact O-N 3.07Å; P234-L236 VanDerWaalsContact O-N 3.15Å; P234-W237 HydrophobicContact CB-CD2 4.2Å; P234-W237 HydrophobicContact CB-CE3 4.33Å; P234-W237 HydrophobicContact CB-CH2 4.48Å; P234-W237 HydrophobicContact CB-CZ2 4.35Å; P234-W237 HydrophobicContact CB-CZ3 4.46Å; P234-W237 HydrophobicContact CG-CH2 4.24Å; P234-W237 HydrophobicContact CG-CZ2 3.98Å; P234-W237 WeakPolarHBondContact O-CB 3.18Å; P234-W237 PolarHBondContact O-N 3.36Å; P234-W237 VanDerWaalsContact O-N 3.1Å
235	D	88.1	Confident	90.3	Very high	99 Å²	99	101.3 Å²	101.3	53%	0.529	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-62	-22.6	177.8	-28.8	-71.8	0	0	0	113.4	R147 T233	R147-D235 IonicContact NH2-OD2 3.51Å; R147-D235 PolarHBondContact NH2-OD2 3.02Å; T233-D235 WeakPolarHBondContact CB-OD2 3.39Å; T233-D235 PolarHBondContact O-N 2.64Å; T233-D235 PolarHBondContact OG1-OD2 3.45Å
236	L	89.6	Confident	90.2	Very high	83 Å²	83	101.4 Å²	101.4	44%	0.435	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-102	6.9	-179.9	-64	177.5	0	0	0	112.9	R147 L232 T233 P234 N238	R147-L236 VanDerWaalsContact NH1-CD1 3.29Å; L232-L236 HydrophobicContact CD1-CB 3.76Å; T233-L236 PolarHBondContact O-N 3.01Å; P234-L236 PolarHBondContact O-N 3.07Å; P234-L236 VanDerWaalsContact O-N 3.15Å; L236-N238 VanDerWaalsContact C-N 3.27Å; L236-N238 PolarHBondContact O-N 2.67Å
237	W	92.5	Very high	90.1	Very high	167 Å²	167	96.6 Å²	96.6	63%	0.633	49%	0.486	S	S	*	.			trans	-74.4	-20.4	179.2	-69	0.6	0	0	0	113.2	T233 P234 V239	T233-W237 VanDerWaalsContact O-CD1 3.29Å; P234-W237 HydrophobicContact CB-CD2 4.2Å; P234-W237 HydrophobicContact CB-CE3 4.33Å; P234-W237 HydrophobicContact CB-CH2 4.48Å; P234-W237 HydrophobicContact CB-CZ2 4.35Å; P234-W237 HydrophobicContact CB-CZ3 4.46Å; P234-W237 HydrophobicContact CG-CH2 4.24Å; P234-W237 HydrophobicContact CG-CZ2 3.98Å; P234-W237 WeakPolarHBondContact O-CB 3.18Å; P234-W237 PolarHBondContact O-N 3.36Å; P234-W237 VanDerWaalsContact O-N 3.1Å; W237-V239 PolarHBondContact O-N 3.01Å
238	N	90.8	Very high	90	Very high	131 Å²	131	101 Å²	101	70%	0.701	51%	0.511	S	S	*	.	S	Bend	trans	-63.1	128.7	177.8	-68.5	-23.9	0	0	0	110.4	L236 V240	L236-N238 VanDerWaalsContact C-N 3.27Å; L236-N238 PolarHBondContact O-N 2.67Å; N238-V240 PolarHBondContact O-N 3.4Å; N238-V240 VanDerWaalsContact O-N 3.12Å
239	V	87.3	Confident	89.9	Confident	145 Å²	145	106.3 Å²	106.3	88%	0.879	54%	0.536	S	S	*	.			trans	-70.9	110.1	178.7	-178	0	0	0	0	108.8	W237	W237-V239 PolarHBondContact O-N 3.01Å
240	V	86	Confident	90	Very high	103 Å²	103	103.3 Å²	103.3	62%	0.624	52%	0.524	S	S	*	.			trans	-79.5	133	175.4	-161.3	0	0	0	0	108.7	N238 K242	N238-V240 PolarHBondContact O-N 3.4Å; N238-V240 VanDerWaalsContact O-N 3.12Å; V240-K242 PolarHBondContact O-N 2.8Å
241	P	86.7	Confident	90.1	Very high	112 Å²	112	97.4 Å²	97.4	73%	0.727	50%	0.503	S	S	*	.			trans	-59.6	133.5	174.7	23.2	-32.3	0	0	0	110.1	S243	P241-S243 PolarHBondContact O-N 2.9Å; P241-S243 VanDerWaalsContact O-N 3.15Å
242	K	84.3	Confident	90.3	Very high	212 Å²	212	94.4 Å²	94.4	92%	0.922	51%	0.508	S	S	*	.			trans	-67.6	113.7	179.3	-66.3	-179.7	-178.4	176.2	0	109.3	V240	V240-K242 PolarHBondContact O-N 2.8Å
243	S	88.1	Confident	90.5	Very high	68 Å²	68	90.8 Å²	90.8	48%	0.476	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-70.2	155.6	169.4	49.4	0	0	0	0	110.8	F65 P241	F65-S243 WeakPolarHBondContact CZ-OG 3.25Å; P241-S243 PolarHBondContact O-N 2.9Å; P241-S243 VanDerWaalsContact O-N 3.15Å
244	K	91	Very high	90.6	Very high	156 Å²	156	90.7 Å²	90.7	68%	0.678	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-65	140.2	174.4	-70	-178.9	-178.6	175	0	109.2	F65 I246	F65-K244 WeakPolarHBondContact CZ-O 3.4Å; K244-I246 PolarHBondContact O-N 2.98Å
245	H	92	Very high	90.7	Very high	66 Å²	66	91.5 Å²	91.5	31%	0.306	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-63	135.5	175.8	-169.7	-79.1	0	0	0	110.3	F65 F247 V248 E249	F65-H245 HydrophobicContact CD1-CB 4.41Å; F65-H245 AromaticContact CD1-CD2 3.54Å; F65-H245 HydrophobicContact CE1-CB 4.31Å; F65-H245 AromaticContact CG-CD2 3.91Å; H245-F247 VanDerWaalsContact C-N 3.28Å; H245-F247 AromaticContact CE1-CD2 3.34Å; H245-F247 WeakPolarHBondContact CE1-CD2 3.43Å; H245-F247 AromaticContact CE1-CE2 3.91Å; H245-F247 AromaticContact CE1-CG 3.87Å; H245-F247 AromaticContact ND1-CD2 3.86Å; H245-F247 AromaticContact ND1-CG 3.98Å; H245-F247 PolarHBondContact ND1-N 3.26Å; H245-F247 PolarHBondContact O-N 2.94Å; H245-F247 VanDerWaalsContact O-N 3.15Å; H245-V248 HydrophobicContact CB-CG2 4.08Å; H245-V248 WeakPolarHBondContact O-CA 3.3Å; H245-V248 WeakPolarHBondContact O-CB 3.29Å; H245-V248 PolarHBondContact O-N 3.44Å; H245-E249 PolarHBondContact O-N 2.95Å
246	I	91.8	Very high	90.9	Very high	4 Å²	4	92.9 Å²	92.9	2%	0.021	49%	0.488	C	S	.	.	H	α-helix	trans	-50.2	-45	-175	-68.3	167.3	0	0	0	112.6	L50 I56 E61 F65 L67 K244 V248 E249 Y250	L50-I246 HydrophobicContact CD1-CG2 3.65Å; I56-I246 HydrophobicContact CD1-CD1 4.31Å; I56-I246 HydrophobicContact CD1-CG2 3.73Å; I56-I246 HydrophobicContact CG1-CG2 4.05Å; E61-I246 HydrophobicContact CB-CD1 3.94Å; E61-I246 WeakPolarHBondContact O-CD1 3.27Å; F65-I246 HydrophobicContact CD2-CD1 3.47Å; F65-I246 VanDerWaalsContact CD2-CD1 3.47Å; F65-I246 HydrophobicContact CD2-CG1 3.58Å; F65-I246 HydrophobicContact CE2-CD1 3.88Å; F65-I246 HydrophobicContact CE2-CG1 3.57Å; L67-I246 HydrophobicContact CD1-CD1 4.01Å; K244-I246 PolarHBondContact O-N 2.98Å; I246-V248 VanDerWaalsContact C-N 3.27Å; I246-V248 PolarHBondContact O-N 3.05Å; I246-E249 PolarHBondContact O-N 2.9Å; I246-Y250 HydrophobicContact CG2-CD2 3.89Å; I246-Y250 HydrophobicContact CG2-CE2 4.28Å; I246-Y250 WeakPolarHBondContact O-CD2 3.3Å; I246-Y250 PolarHBondContact O-N 2.94Å
247	F	92.5	Very high	90.8	Very high	58 Å²	58	90.2 Å²	90.2	25%	0.254	47%	0.474	S	S	.	.	H	α-helix	trans	-66.3	-26.3	178.6	-61	-35.7	0	0	0	114.2	Q46 L50 L67 H245 A251 L254	Q46-F247 HydrophobicContact CB-CD1 4.49Å; Q46-F247 HydrophobicContact CB-CE1 4.02Å; L50-F247 HydrophobicContact CD1-CD1 3.95Å; L50-F247 HydrophobicContact CD1-CE1 4.02Å; L67-F247 HydrophobicContact CD1-CE1 4.49Å; L67-F247 HydrophobicContact CD1-CZ 4.08Å; L67-F247 HydrophobicContact CD2-CD2 4.49Å; L67-F247 HydrophobicContact CD2-CE2 3.71Å; L67-F247 HydrophobicContact CD2-CZ 4.03Å; H245-F247 VanDerWaalsContact C-N 3.28Å; H245-F247 AromaticContact CE1-CD2 3.34Å; H245-F247 WeakPolarHBondContact CE1-CD2 3.43Å; H245-F247 AromaticContact CE1-CE2 3.91Å; H245-F247 AromaticContact CE1-CG 3.87Å; H245-F247 AromaticContact ND1-CD2 3.86Å; H245-F247 AromaticContact ND1-CG 3.98Å; H245-F247 PolarHBondContact ND1-N 3.26Å; H245-F247 PolarHBondContact O-N 2.94Å; H245-F247 VanDerWaalsContact O-N 3.15Å; F247-A251 WeakPolarHBondContact O-CA 3.26Å; F247-A251 WeakPolarHBondContact O-CB 3.43Å; F247-A251 PolarHBondContact O-N 2.93Å; F247-A251 VanDerWaalsContact O-N 3.15Å; F247-L254 HydrophobicContact CD1-CD1 4.06Å
248	V	93.5	Very high	90.4	Very high	102 Å²	102	85 Å²	85	62%	0.618	47%	0.466	S	S	*	.	H	α-helix	trans	-77.9	-44	176	178.7	0	0	0	0	109.7	H245 I246 Y250 A251	H245-V248 HydrophobicContact CB-CG2 4.08Å; H245-V248 WeakPolarHBondContact O-CA 3.3Å; H245-V248 WeakPolarHBondContact O-CB 3.29Å; H245-V248 PolarHBondContact O-N 3.44Å; I246-V248 VanDerWaalsContact C-N 3.27Å; I246-V248 PolarHBondContact O-N 3.05Å; V248-Y250 PolarHBondContact O-N 2.96Å; V248-A251 WeakPolarHBondContact O-CB 3.33Å; V248-A251 PolarHBondContact O-N 3.42Å
249	E	92.3	Very high	90.1	Very high	114 Å²	114	87.4 Å²	87.4	53%	0.533	47%	0.47	S	S	.	.	H	α-helix	trans	-61.2	-44.6	178.2	-175.1	170.5	-174.1	0	0	112	H245 I246	H245-E249 PolarHBondContact O-N 2.95Å; I246-E249 PolarHBondContact O-N 2.9Å
250	Y	93.6	Very high	89.7	Confident	56 Å²	56	87 Å²	87	22%	0.22	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	17.6	-179.1	-59.4	-62.5	0	0	0	114.3	L50 K55 I246 V248 G252 F253 L254	L50-Y250 HydrophobicContact CD1-CD2 4.49Å; L50-Y250 HydrophobicContact CD2-CD2 4.14Å; L50-Y250 HydrophobicContact CD2-CG 3.98Å; K55-Y250 HydrophobicContact CB-CD2 4.5Å; K55-Y250 HydrophobicContact CB-CE1 4.16Å; K55-Y250 HydrophobicContact CB-CE2 4.17Å; K55-Y250 HydrophobicContact CD-CD1 3.66Å; K55-Y250 HydrophobicContact CD-CE1 3.92Å; K55-Y250 HydrophobicContact CD-CG 4.06Å; K55-Y250 HydrophobicContact CG-CE1 4.44Å; K55-Y250 PolarHBondContact O-OH 3Å; I246-Y250 HydrophobicContact CG2-CD2 3.89Å; I246-Y250 HydrophobicContact CG2-CE2 4.28Å; I246-Y250 WeakPolarHBondContact O-CD2 3.3Å; I246-Y250 PolarHBondContact O-N 2.94Å; V248-Y250 PolarHBondContact O-N 2.96Å; Y250-G252 VanDerWaalsContact C-N 3.29Å; Y250-G252 PolarHBondContact O-N 2.82Å; Y250-F253 WeakPolarHBondContact O-CB 3.4Å; Y250-F253 PolarHBondContact O-N 2.97Å; Y250-L254 PolarHBondContact O-N 2.98Å; Y250-L254 VanDerWaalsContact O-N 3.09Å
251	A	93.2	Very high	88.6	Confident	36 Å²	36	89.4 Å²	89.4	30%	0.298	47%	0.473	S	S	.	.	H	α-helix	trans	-54.9	-43.6	-178.4	0	0	0	0	0	112.5	F247 V248 F253 L254 N255	F247-A251 WeakPolarHBondContact O-CA 3.26Å; F247-A251 WeakPolarHBondContact O-CB 3.43Å; F247-A251 PolarHBondContact O-N 2.93Å; F247-A251 VanDerWaalsContact O-N 3.15Å; V248-A251 WeakPolarHBondContact O-CB 3.33Å; V248-A251 PolarHBondContact O-N 3.42Å; A251-F253 VanDerWaalsContact C-N 3.25Å; A251-F253 PolarHBondContact O-N 3.44Å; A251-L254 PolarHBondContact O-N 3.24Å; A251-N255 WeakPolarHBondContact O-CB 3.45Å; A251-N255 VanDerWaalsContact O-CG 3.22Å; A251-N255 PolarHBondContact O-N 2.84Å; A251-N255 PolarHBondContact O-ND2 3.16Å
252	G	93.4	Very high	88.7	Confident	57 Å²	57	88.3 Å²	88.3	59%	0.588	46%	0.46	S	S	*	.	H	α-helix	trans	-59.5	-36.4	179.1	0	0	0	0	0	113.1	Y250 K256	Y250-G252 VanDerWaalsContact C-N 3.29Å; Y250-G252 PolarHBondContact O-N 2.82Å; G252-K256 PolarHBondContact O-N 3.15Å; G252-K256 VanDerWaalsContact O-N 3.14Å
253	F	92.9	Very high	88.9	Confident	42 Å²	42	81.7 Å²	81.7	18%	0.184	44%	0.436	C	S	.	.	H	α-helix	trans	-72.4	-45.9	177.2	177.6	-111.1	0	0	0	112.8	L50 E53 K55 Y250 A251 N255 K256 I257	L50-F253 HydrophobicContact CD2-CD1 3.87Å; L50-F253 HydrophobicContact CD2-CE1 4.29Å; E53-F253 HydrophobicContact CB-CE1 4.07Å; E53-F253 HydrophobicContact CB-CZ 3.79Å; E53-F253 HydrophobicContact CG-CE1 4.05Å; E53-F253 HydrophobicContact CG-CZ 3.56Å; K55-F253 HydrophobicContact CD-CD1 3.8Å; K55-F253 HydrophobicContact CD-CE1 3.99Å; K55-F253 HydrophobicContact CD-CG 4.18Å; K55-F253 VanDerWaalsContact CE-CD1 3.49Å; K55-F253 VanDerWaalsContact CE-CG 3.47Å; Y250-F253 WeakPolarHBondContact O-CB 3.4Å; Y250-F253 PolarHBondContact O-N 2.97Å; A251-F253 VanDerWaalsContact C-N 3.25Å; A251-F253 PolarHBondContact O-N 3.44Å; F253-N255 PolarHBondContact O-N 3.16Å; F253-K256 WeakPolarHBondContact O-CB 3.42Å; F253-K256 PolarHBondContact O-N 2.97Å; F253-K256 VanDerWaalsContact O-N 3.1Å; F253-I257 HydrophobicContact CD1-CD1 3.87Å; F253-I257 HydrophobicContact CD2-CD1 4.48Å; F253-I257 HydrophobicContact CE1-CD1 3.27Å; F253-I257 HydrophobicContact CE1-CG1 4.39Å; F253-I257 HydrophobicContact CE2-CD1 3.96Å; F253-I257 HydrophobicContact CE2-CG1 4.36Å; F253-I257 HydrophobicContact CG-CD1 4.45Å; F253-I257 HydrophobicContact CZ-CD1 3.34Å; F253-I257 HydrophobicContact CZ-CG1 4.19Å; F253-I257 PolarHBondContact O-N 3.18Å; F253-I257 VanDerWaalsContact O-N 3.08Å
254	L	92.7	Very high	89	Confident	10 Å²	10	82.5 Å²	82.5	5%	0.052	43%	0.434	C	S	.	.	H	α-helix	trans	-60.7	-39	177.7	-68.9	175.6	0	0	0	111.2	Q46 L50 F247 Y250 A251 I257 A258	Q46-L254 HydrophobicContact CB-CD1 4.17Å; Q46-L254 HydrophobicContact CB-CD2 4.03Å; Q46-L254 HydrophobicContact CG-CD1 4.28Å; Q46-L254 HydrophobicContact CG-CD2 4.24Å; L50-L254 HydrophobicContact CD1-CD1 4.45Å; L50-L254 HydrophobicContact CD2-CD2 4.06Å; L50-L254 HydrophobicContact CD2-CG 4.28Å; L50-L254 HydrophobicContact CG-CD2 4.08Å; F247-L254 HydrophobicContact CD1-CD1 4.06Å; Y250-L254 PolarHBondContact O-N 2.98Å; Y250-L254 VanDerWaalsContact O-N 3.09Å; A251-L254 PolarHBondContact O-N 3.24Å; L254-I257 PolarHBondContact O-N 2.76Å; L254-A258 VanDerWaalsContact O-CB 3.32Å; L254-A258 WeakPolarHBondContact O-CB 3.42Å; L254-A258 PolarHBondContact O-N 2.77Å
255	N	92.4	Very high	88.8	Confident	101 Å²	101	78.2 Å²	78.2	54%	0.54	42%	0.419	S	S	.	.	H	α-helix	trans	-66.1	-35.5	175.3	-71.9	-19.3	0	0	0	112.6	A251 F253 A258 K259	A251-N255 WeakPolarHBondContact O-CB 3.45Å; A251-N255 VanDerWaalsContact O-CG 3.22Å; A251-N255 PolarHBondContact O-N 2.84Å; A251-N255 PolarHBondContact O-ND2 3.16Å; F253-N255 PolarHBondContact O-N 3.16Å; N255-A258 PolarHBondContact O-N 2.87Å; N255-K259 WeakPolarHBondContact O-CG 3.4Å; N255-K259 PolarHBondContact O-N 2.87Å
256	K	92	Very high	88.6	Confident	128 Å²	128	78.9 Å²	78.9	56%	0.557	43%	0.427	S	S	*	.	H	α-helix	trans	-64.7	-50.5	175.6	-172.4	-178.3	176.3	-172.4	0	111	G252 F253 A258 K259 E260	G252-K256 PolarHBondContact O-N 3.15Å; G252-K256 VanDerWaalsContact O-N 3.14Å; F253-K256 WeakPolarHBondContact O-CB 3.42Å; F253-K256 PolarHBondContact O-N 2.97Å; F253-K256 VanDerWaalsContact O-N 3.1Å; K256-A258 VanDerWaalsContact C-N 3.26Å; K256-A258 PolarHBondContact O-N 2.74Å; K256-K259 PolarHBondContact O-N 3.27Å; K256-E260 WeakPolarHBondContact CE-OE1 3.49Å; K256-E260 PolarHBondContact O-N 2.98Å
257	I	88.4	Confident	88.4	Confident	27 Å²	27	83.9 Å²	83.9	14%	0.138	45%	0.454	C	S	.	.	H	α-helix	trans	-61.3	-39.1	177.6	-63.4	168	0	0	0	110.8	R49 F253 L254 K259 E260 V261	R49-I257 HydrophobicContact CB-CD1 4.29Å; F253-I257 HydrophobicContact CD1-CD1 3.87Å; F253-I257 HydrophobicContact CD2-CD1 4.48Å; F253-I257 HydrophobicContact CE1-CD1 3.27Å; F253-I257 HydrophobicContact CE1-CG1 4.39Å; F253-I257 HydrophobicContact CE2-CD1 3.96Å; F253-I257 HydrophobicContact CE2-CG1 4.36Å; F253-I257 HydrophobicContact CG-CD1 4.45Å; F253-I257 HydrophobicContact CZ-CD1 3.34Å; F253-I257 HydrophobicContact CZ-CG1 4.19Å; F253-I257 PolarHBondContact O-N 3.18Å; F253-I257 VanDerWaalsContact O-N 3.08Å; L254-I257 PolarHBondContact O-N 2.76Å; I257-K259 PolarHBondContact O-N 3.23Å; I257-E260 PolarHBondContact O-N 2.81Å; I257-E260 VanDerWaalsContact O-N 3.12Å; I257-V261 HydrophobicContact CG2-CG2 4.47Å; I257-V261 PolarHBondContact O-N 2.92Å
258	A	83.8	Confident	88.1	Confident	56 Å²	56	85.8 Å²	85.8	46%	0.463	47%	0.468	S	S	.	.	H	α-helix	trans	-63.7	-21.6	178.3	0	0	0	0	0	113.6	L254 N255 K256	L254-A258 VanDerWaalsContact O-CB 3.32Å; L254-A258 WeakPolarHBondContact O-CB 3.42Å; L254-A258 PolarHBondContact O-N 2.77Å; N255-A258 PolarHBondContact O-N 2.87Å; K256-A258 VanDerWaalsContact C-N 3.26Å; K256-A258 PolarHBondContact O-N 2.74Å
259	K	84.4	Confident	87.7	Confident	183 Å²	183	84.5 Å²	84.5	80%	0.796	46%	0.456	S	S	*	.	H	α-helix	trans	-88.2	-20.6	174.2	-70.3	176.6	179.9	-174	0	113.5	N255 K256 I257	N255-K259 WeakPolarHBondContact O-CG 3.4Å; N255-K259 PolarHBondContact O-N 2.87Å; K256-K259 PolarHBondContact O-N 3.27Å; I257-K259 PolarHBondContact O-N 3.23Å
260	E	78.1	Confident	87.4	Confident	135 Å²	135	82.1 Å²	82.1	63%	0.631	45%	0.45	S	S	*	.	H	α-helix	trans	-86	-15.1	179.8	-72	173.3	178.7	0	0	112.8	K256 I257	K256-E260 WeakPolarHBondContact CE-OE1 3.49Å; K256-E260 PolarHBondContact O-N 2.98Å; I257-E260 PolarHBondContact O-N 2.81Å; I257-E260 VanDerWaalsContact O-N 3.12Å
261	V	63.4	Low	86.8	Confident	154 Å²	154	84.5 Å²	84.5	93%	0.933	47%	0.471	S	S	*	.			trans	-93.6	0	174.2	179.1	0	0	0	0	110	I257	I257-V261 HydrophobicContact CG2-CG2 4.47Å; I257-V261 PolarHBondContact O-N 2.92Å

Retrieved 261 of 261 residues in 248 ms (Link to these results)

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