G4VAU1_SCHMA Loading...

N-acetylgalactosaminide beta-1,3-galactosyltransferase AlphaSync

AlphaFold DB , UniProt , Accession G4VAU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 341 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	40.3	Very low	240 Å²	240	114.5 Å²	114.5	100%	1.182	64%	0.643	S	S	*	*				0	110.2	0	-70.2	-156.3	-85.6	0	0	107.9	G3	M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 2.97Å
2	T	44.2	Very low	40.9	Very low	145 Å²	145	120 Å²	120	89%	0.89	66%	0.655	S	S	*	*			trans	-66.7	94	170.3	25.3	0	0	0	0	107.4	I4	T2-I4 PolarHBondContact O-N 2.81Å
3	G	43.9	Very low	41.3	Very low	54 Å²	54	125.8 Å²	125.8	56%	0.557	66%	0.663	S	S	*	*			trans	-67.5	100.8	-174.7	0	0	0	0	0	110.8	M1 I5	M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 2.97Å; G3-I5 PolarHBondContact O-N 3.2Å
4	I	41.6	Very low	40.7	Very low	108 Å²	108	125 Å²	125	55%	0.554	65%	0.654	S	S	*	*			trans	-70.1	116.1	162.8	-62.7	168.7	0	0	0	106.2	T2 V6 L19	T2-I4 PolarHBondContact O-N 2.81Å; I4-V6 HydrophobicContact CG2-CG2 3.99Å; I4-L19 HydrophobicContact CG2-CD2 4.1Å
5	I	40	Very low	40.8	Very low	109 Å²	109	121.1 Å²	121.1	56%	0.559	64%	0.635	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.5	115.6	170.3	-59.6	178.8	0	0	0	107.1	G3 I7 C20	G3-I5 PolarHBondContact O-N 3.2Å; I5-I7 HydrophobicContact CG2-CD1 4.34Å; I5-I7 HydrophobicContact CG2-CG1 3.9Å; I5-C20 HydrophobicContact CB-CB 4.34Å; I5-C20 PolarHBondContact N-O 3.42Å; I5-C20 WeakPolarHBondContact O-CB 3.4Å; I5-C20 PolarHBondContact O-N 3.34Å
6	V	45.6	Very low	40.7	Very low	89 Å²	89	121.8 Å²	121.8	54%	0.539	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.2	111.7	176.4	-173.9	0	0	0	0	108.1	I4 V17 L19	I4-V6 HydrophobicContact CG2-CG2 3.99Å; V6-V17 HydrophobicContact CG1-CG1 3.6Å; V6-L19 HydrophobicContact CG1-CD2 4.45Å; V6-L19 HydrophobicContact CG2-CD2 3.96Å
7	I	40.1	Very low	40.7	Very low	80 Å²	80	119.5 Å²	119.5	41%	0.41	62%	0.623	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106	111.6	175.2	-55.7	179.6	0	0	0	108.3	I5 L9 I18	I5-I7 HydrophobicContact CG2-CD1 4.34Å; I5-I7 HydrophobicContact CG2-CG1 3.9Å; I7-L9 HydrophobicContact CG2-CD2 4.45Å; I7-L9 HydrophobicContact CG2-CG 4.39Å; I7-I18 PolarHBondContact N-O 3.18Å; I7-I18 PolarHBondContact O-N 3.22Å
8	S	41.9	Very low	40.9	Very low	76 Å²	76	116.9 Å²	116.9	53%	0.531	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.4	115.2	174	163.2	0	0	0	0	109.7	K16	S8-K16 WeakPolarHBondContact CA-O 3.33Å
9	L	35.9	Very low	40.9	Very low	105 Å²	105	116.3 Å²	116.3	55%	0.55	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.2	121.2	171.4	-67	173.8	0	0	0	109.7	I7 K16 I18	I7-L9 HydrophobicContact CG2-CD2 4.45Å; I7-L9 HydrophobicContact CG2-CG 4.39Å; L9-K16 PolarHBondContact N-O 3.12Å; L9-K16 PolarHBondContact O-N 3.13Å; L9-I18 HydrophobicContact CD1-CD1 3.97Å
10	K	37.4	Very low	41	Very low	178 Å²	178	113.3 Å²	113.3	77%	0.774	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.9	113.2	-178.1	-138.9	-176.7	-177.5	178.6	0	109	N15	K10-N15 WeakPolarHBondContact CG-OD1 3.02Å
11	S	38.7	Very low	41	Very low	75 Å²	75	112.4 Å²	112.4	52%	0.524	59%	0.594	S	S	.	*			trans	-107.8	157.7	167.8	171.5	0	0	0	0	109.9	Y13 E14	S11-Y13 PolarHBondContact O-N 3.14Å; S11-E14 WeakPolarHBondContact CA-O 3.41Å; S11-E14 VanDerWaalsContact CB-O 3.26Å; S11-E14 WeakPolarHBondContact CB-O 3.08Å; S11-E14 PolarHBondContact N-O 3.39Å; S11-E14 PolarHBondContact O-N 2.89Å
12	K	47.5	Very low	41.2	Very low	181 Å²	181	108.2 Å²	108.2	79%	0.787	58%	0.576	S	S	*	*	S	Bend	trans	-54.9	-24.3	-179.2	-161.6	178.1	-177.3	-176.3	0	113.1
13	Y	45.2	Very low	40.9	Very low	195 Å²	195	107 Å²	107	77%	0.765	57%	0.565	S	S	*	*	S	Bend	trans	-121.8	-11.5	-178.8	-56.8	-68.6	0	0	0	114.4	S11	S11-Y13 PolarHBondContact O-N 3.14Å
14	E	33.8	Very low	40.5	Very low	115 Å²	115	113.9 Å²	113.9	54%	0.537	58%	0.579	S	S	.	*			trans	-152	138.3	-176.9	-70	-171.4	168.5	0	0	112.3	S11 K16	S11-E14 WeakPolarHBondContact CA-O 3.41Å; S11-E14 VanDerWaalsContact CB-O 3.26Å; S11-E14 WeakPolarHBondContact CB-O 3.08Å; S11-E14 PolarHBondContact N-O 3.39Å; S11-E14 PolarHBondContact O-N 2.89Å; E14-K16 WeakPolarHBondContact OE2-CE 2.96Å; E14-K16 IonicContact OE2-NZ 3.71Å
15	N	42.4	Very low	40.1	Very low	67 Å²	67	112.9 Å²	112.9	36%	0.358	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106	116.5	169.2	-61.9	-38.9	0	0	0	108.4	K10 R331	K10-N15 WeakPolarHBondContact CG-OD1 3.02Å; N15-R331 PolarHBondContact O-NH1 3.44Å; N15-R331 VanDerWaalsContact O-NH1 3.09Å
16	K	37.9	Very low	39.7	Very low	132 Å²	132	119.4 Å²	119.4	57%	0.574	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.6	129.3	175.2	-74.1	-176	-179.9	177.5	0	109.9	S8 L9 E14	S8-K16 WeakPolarHBondContact CA-O 3.33Å; L9-K16 PolarHBondContact N-O 3.12Å; L9-K16 PolarHBondContact O-N 3.13Å; E14-K16 WeakPolarHBondContact OE2-CE 2.96Å; E14-K16 IonicContact OE2-NZ 3.71Å
17	V	42.3	Very low	38.8	Very low	83 Å²	83	124.7 Å²	124.7	50%	0.503	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	120.7	174.9	-179.8	0	0	0	0	107.7	V6	V6-V17 HydrophobicContact CG1-CG1 3.6Å
18	I	42.7	Very low	38.3	Very low	73 Å²	73	130.6 Å²	130.6	37%	0.374	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.2	121.8	177	-55.8	174.9	0	0	0	107.6	I7 L9	I7-I18 PolarHBondContact N-O 3.18Å; I7-I18 PolarHBondContact O-N 3.22Å; L9-I18 HydrophobicContact CD1-CD1 3.97Å
19	L	41.1	Very low	37.6	Very low	105 Å²	105	136.4 Å²	136.4	55%	0.55	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.7	111.3	174.3	-67.4	170.5	0	0	0	108.9	I4 V6	I4-L19 HydrophobicContact CG2-CD2 4.1Å; V6-L19 HydrophobicContact CG1-CD2 4.45Å; V6-L19 HydrophobicContact CG2-CD2 3.96Å
20	C	43.3	Very low	37.2	Very low	55 Å²	55	135.8 Å²	135.8	37%	0.372	67%	0.666	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	111.7	175.1	-64.1	0	0	0	0	109.4	I5	I5-C20 HydrophobicContact CB-CB 4.34Å; I5-C20 PolarHBondContact N-O 3.42Å; I5-C20 WeakPolarHBondContact O-CB 3.4Å; I5-C20 PolarHBondContact O-N 3.34Å
21	T	42	Very low	36.8	Very low	96 Å²	96	134.7 Å²	134.7	59%	0.589	67%	0.669	S	S	*	*			trans	-104.7	133.3	169.6	57.9	0	0	0	0	109.6	D23	T21-D23 PolarHBondContact O-N 2.9Å
22	N	38.5	Very low	36.2	Very low	151 Å²	151	138 Å²	138	81%	0.807	68%	0.68	S	S	*	*			trans	-82.4	71.8	177.5	-153.7	13.8	0	0	0	109.8	K24	N22-K24 PolarHBondContact O-N 3.23Å
23	D	37.2	Very low	35.4	Very low	120 Å²	120	138.4 Å²	138.4	64%	0.642	68%	0.684	S	S	*	*			trans	-100.5	73.8	-179.7	-148.7	-6.1	0	0	0	110.7	T21 S25	T21-D23 PolarHBondContact O-N 2.9Å; D23-S25 VanDerWaalsContact C-N 3.3Å; D23-S25 PolarHBondContact O-N 3.46Å; D23-S25 PolarHBondContact OD1-OG 3.03Å
24	K	36.3	Very low	34.6	Very low	198 Å²	198	133.5 Å²	133.5	86%	0.861	68%	0.678	S	S	*	*			trans	-94.6	62.7	165.7	-73.8	-169.1	178.8	-178.4	0	109.6	N22	N22-K24 PolarHBondContact O-N 3.23Å
25	S	32.7	Very low	34.4	Very low	88 Å²	88	137.5 Å²	137.5	62%	0.615	69%	0.694	S	S	*	*			trans	-128.9	29.3	170.3	74.8	0	0	0	0	113.2	D23	D23-S25 VanDerWaalsContact C-N 3.3Å; D23-S25 PolarHBondContact O-N 3.46Å; D23-S25 PolarHBondContact OD1-OG 3.03Å
26	R	31	Very low	33.8	Very low	246 Å²	246	141.9 Å²	141.9	93%	0.928	72%	0.723	S	S	*	*			trans	-107.9	93.8	164.9	-85.4	-174.9	174.4	-178.6	-0.2	111.9
27	K	28.1	Very low	33.4	Very low	200 Å²	200	138.8 Å²	138.8	87%	0.87	73%	0.728	S	S	*	*			trans	-27.4	126.4	151.3	-67.2	170.5	172.5	175.6	0	112.3
28	K	28	Very low	32.8	Very low	203 Å²	203	142 Å²	142	88%	0.883	74%	0.735	S	S	*	*			trans	-154.7	121	130.2	-110.7	176.5	-177.7	-178	0	108.5	A30	K28-A30 PolarHBondContact O-N 3.17Å
29	H	28.4	Very low	32.3	Very low	199 Å²	199	146.7 Å²	146.7	92%	0.921	76%	0.756	S	S	*	*			trans	-46.8	116.5	162.8	-81.2	-94.8	0	0	0	109.1
30	A	27.8	Very low	31.7	Very low	91 Å²	91	151.5 Å²	151.5	75%	0.752	77%	0.768	S	S	*	*			trans	-147.4	102.4	154.8	0	0	0	0	0	105.3	K28 L32	K28-A30 PolarHBondContact O-N 3.17Å; A30-L32 PolarHBondContact O-N 2.96Å
31	D	28	Very low	31.2	Very low	156 Å²	156	153.9 Å²	153.9	83%	0.834	77%	0.774	S	S	*	*			trans	-44.2	123.9	155.3	-70.8	-46.6	0	0	0	108.6
32	L	26.5	Very low	31.2	Very low	143 Å²	143	154.7 Å²	154.7	75%	0.749	77%	0.773	S	S	*	*				167.8	125.1	120.9	-120.7	62.1	0	0	0	108.6	A30 S34	A30-L32 PolarHBondContact O-N 2.96Å; L32-S34 PolarHBondContact O-N 3.4Å
33	H	29.4	Very low	31	Very low	191 Å²	191	154.3 Å²	154.3	88%	0.884	77%	0.767	S	S	*	*			trans	-43.9	105.9	143	-72.7	-93.5	0	0	0	109.4
34	S	29.5	Very low	31	Very low	91 Å²	91	151.5 Å²	151.5	64%	0.636	76%	0.757	S	S	*	*			trans	173	138	140.1	51.9	0	0	0	0	113.1	L32	L32-S34 PolarHBondContact O-N 3.4Å
35	K	28.7	Very low	31.2	Very low	199 Å²	199	147.3 Å²	147.3	87%	0.865	74%	0.743	S	S	*	*			trans	76.5	93.1	153.9	-69.2	175.4	-179.1	-178	0	118.6	G37	K35-G37 PolarHBondContact O-N 3.37Å
36	V	30.1	Very low	31.8	Very low	159 Å²	159	148.7 Å²	148.7	96%	0.964	74%	0.743	S	S	*	*			trans	-31.2	111.8	137.8	-179.6	0	0	0	0	110.5
37	G	30.8	Very low	32.3	Very low	67 Å²	67	143.5 Å²	143.5	69%	0.691	73%	0.734	S	S	*	*			trans	170.3	18.2	178.2	0	0	0	0	0	118.5	K35	K35-G37 PolarHBondContact O-N 3.37Å
38	K	28.9	Very low	33.1	Very low	150 Å²	150	141.8 Å²	141.8	65%	0.652	73%	0.726	S	S	*	*			trans	-142.1	64.9	176.9	-76.8	-171.4	162.5	-141.8	0	112.6	E41	K38-E41 WeakPolarHBondContact CD-OE2 3.26Å; K38-E41 WeakPolarHBondContact CE-OE2 3.43Å; K38-E41 VanDerWaalsContact NZ-CD 3.32Å; K38-E41 IonicContact NZ-OE1 2.78Å; K38-E41 PolarHBondContact NZ-OE1 2.86Å; K38-E41 IonicContact NZ-OE2 3.26Å; K38-E41 PolarHBondContact NZ-OE2 3.29Å
39	Q	31.8	Very low	33.9	Very low	172 Å²	172	136.2 Å²	136.2	80%	0.804	72%	0.719	S	S	*	*	S	Bend	trans	-93.7	-8.7	168	-158	161.7	-9.8	0	0	112.4
40	Y	29.1	Very low	34.5	Very low	206 Å²	206	131 Å²	131	81%	0.808	70%	0.701	S	S	*	*	S	Bend	trans	-88.5	-17.1	-177.3	-79.1	-85.1	0	0	0	115.2
41	E	32.7	Very low	35.4	Very low	106 Å²	106	135.1 Å²	135.1	50%	0.495	70%	0.701	S	S	.	*	S	Bend	trans	-82.3	-22.7	179.9	-87.4	172.5	172.1	0	0	113.6	K38 Q43 S44	K38-E41 WeakPolarHBondContact CD-OE2 3.26Å; K38-E41 WeakPolarHBondContact CE-OE2 3.43Å; K38-E41 VanDerWaalsContact NZ-CD 3.32Å; K38-E41 IonicContact NZ-OE1 2.78Å; K38-E41 PolarHBondContact NZ-OE1 2.86Å; K38-E41 IonicContact NZ-OE2 3.26Å; K38-E41 PolarHBondContact NZ-OE2 3.29Å; E41-Q43 PolarHBondContact O-N 2.82Å; E41-S44 PolarHBondContact O-N 3.33Å; E41-S44 PolarHBondContact O-OG 2.89Å
42	I	41	Very low	36.1	Very low	113 Å²	113	131.2 Å²	131.2	58%	0.579	68%	0.678	S	S	*	*	H	α-helix	trans	-70.1	-26.2	-179	-60.2	173	0	0	0	111.3	L46	I42-L46 HydrophobicContact CG2-CD1 4.04Å
43	Q	35.1	Very low	37	Very low	143 Å²	143	127.6 Å²	127.6	67%	0.668	66%	0.662	S	S	*	*	H	α-helix	trans	-79.1	-24.1	-176.2	-144.9	168.3	8.4	0	0	112.9	E41 N47	E41-Q43 PolarHBondContact O-N 2.82Å; Q43-N47 PolarHBondContact O-ND2 2.83Å
44	S	37.9	Very low	38.1	Very low	61 Å²	61	123.5 Å²	123.5	43%	0.427	64%	0.64	S	S	.	*	H	α-helix	trans	-82.8	-31.1	178.7	59	0	0	0	0	113.6	E41	E41-S44 PolarHBondContact O-N 3.33Å; E41-S44 PolarHBondContact O-OG 2.89Å
45	D	40	Very low	39.4	Very low	109 Å²	109	126.8 Å²	126.8	58%	0.583	65%	0.649	S	S	*	*	H	α-helix	trans	-80.9	-32.5	-176.8	-72.4	-14.9	0	0	0	113	N47 K48	D45-N47 VanDerWaalsContact C-N 3.25Å; D45-N47 PolarHBondContact O-N 3.38Å; D45-K48 PolarHBondContact O-N 2.87Å
46	L	45.2	Very low	41.2	Very low	118 Å²	118	123.5 Å²	123.5	62%	0.618	64%	0.64	S	S	*	*	H	α-helix	trans	-65.1	-27.2	174.9	-97.6	146.1	0	0	0	113.2	I42 K48	I42-L46 HydrophobicContact CG2-CD1 4.04Å; L46-K48 VanDerWaalsContact C-N 3.32Å
47	N	42.5	Very low	43.4	Very low	137 Å²	137	121.9 Å²	121.9	73%	0.733	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-15.9	177.4	-75.6	-24.3	0	0	0	113.5	Q43 D45	Q43-N47 PolarHBondContact O-ND2 2.83Å; D45-N47 VanDerWaalsContact C-N 3.25Å; D45-N47 PolarHBondContact O-N 3.38Å
48	K	43.1	Very low	45.9	Very low	163 Å²	163	122.6 Å²	122.6	71%	0.709	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-9.8	-175.2	-79.6	-178.7	177.2	175.3	0	114.9	D45 L46	D45-K48 PolarHBondContact O-N 2.87Å; L46-K48 VanDerWaalsContact C-N 3.32Å
49	A	45	Very low	48.8	Very low	87 Å²	87	122.3 Å²	122.3	72%	0.719	62%	0.619	S	S	*	*	S	Bend	trans	-118.4	26.1	-171.1	0	0	0	0	0	115.2
50	V	42.2	Very low	51.6	Low	90 Å²	90	120.5 Å²	120.5	55%	0.545	61%	0.61	S	S	.	*			trans	-115.1	85.9	167.1	-174.7	0	0	0	0	107.6
51	K	46.1	Very low	54.5	Low	176 Å²	176	112 Å²	112	77%	0.765	58%	0.582	S	S	*	*			trans	-91.2	-14.5	-170.7	-95.3	-174	177	-177.6	0	116.3
52	Q	42	Very low	57.4	Low	74 Å²	74	112 Å²	112	35%	0.346	58%	0.582	S	S	.	*			trans	-156	122.4	170.4	-107.4	152.8	6.1	0	0	112.5	Q334 M336	Q52-Q334 WeakPolarHBondContact CB-O 3.36Å; Q52-M336 VanDerWaalsContact OE1-CG 3.32Å; Q52-M336 VanDerWaalsContact OE1-N 3.07Å
53	T	46.9	Very low	60	Low	68 Å²	68	113.6 Å²	113.6	42%	0.417	59%	0.585	S	S	.	*	B	Isolated β-bridge	trans	-108.6	128.6	161.4	-55.5	0	0	0	0	105.4	L55	T53-L55 PolarHBondContact O-N 2.7Å
54	Y	52.3	Low	63	Low	105 Å²	105	107.4 Å²	107.4	41%	0.412	56%	0.557	S	S	.	*			trans	-64.1	103.1	163.3	-67.1	-83	0	0	0	107.6	L56 Q334 M336	Y54-L56 PolarHBondContact O-N 3.11Å; Y54-L56 VanDerWaalsContact O-N 3.11Å; Y54-Q334 HydrophobicContact CE2-CB 3.89Å; Y54-Q334 HydrophobicContact CE2-CG 4.15Å; Y54-Q334 VanDerWaalsContact CZ-OE1 3.31Å; Y54-Q334 PolarHBondContact OH-OE1 3.25Å; Y54-M336 PolarHBondContact OH-SD 2.97Å
55	L	56.8	Low	65.7	Low	160 Å²	160	108.7 Å²	108.7	84%	0.838	55%	0.552	S	S	*	*			trans	-72.7	99.3	164.3	-84.5	149	0	0	0	106.2	T53 N57	T53-L55 PolarHBondContact O-N 2.7Å; L55-N57 PolarHBondContact O-N 3.36Å
56	L	66.7	Low	68.4	Low	129 Å²	129	108.1 Å²	108.1	68%	0.675	56%	0.556	S	S	*	*			trans	-58.8	111.6	166.1	-70.9	168.6	0	0	0	107.3	Y54 T58	Y54-L56 PolarHBondContact O-N 3.11Å; Y54-L56 VanDerWaalsContact O-N 3.11Å; L56-T58 PolarHBondContact O-N 3.23Å; L56-T58 VanDerWaalsContact O-N 3.14Å
57	N	74.7	Confident	70.9	Confident	125 Å²	125	105.5 Å²	105.5	67%	0.668	55%	0.548	S	S	*	.			trans	-70.7	108.2	173.4	-175.6	-6.7	0	0	0	108.5	L55 E59	L55-N57 PolarHBondContact O-N 3.36Å; N57-E59 WeakPolarHBondContact OD1-CB 3.36Å; N57-E59 PolarHBondContact OD1-N 2.74Å
58	T	84.5	Confident	73.6	Confident	82 Å²	82	99.5 Å²	99.5	50%	0.503	52%	0.516	S	S	.	.			trans	-94.8	1.8	179.5	60	0	0	0	0	113.2	L56 E60 A61 E62	L56-T58 PolarHBondContact O-N 3.23Å; L56-T58 VanDerWaalsContact O-N 3.14Å; T58-E60 PolarHBondContact O-N 3.41Å; T58-A61 PolarHBondContact O-N 2.96Å; T58-E62 WeakPolarHBondContact O-CG 3.14Å; T58-E62 PolarHBondContact O-N 3.45Å
59	E	89.6	Confident	76.2	Confident	145 Å²	145	96.5 Å²	96.5	68%	0.678	50%	0.5	S	S	*	.	H	α-helix	trans	-58.7	-46.1	-174.7	-174.4	179.9	-179.6	0	0	111.9	N57 E62 K63	N57-E59 WeakPolarHBondContact OD1-CB 3.36Å; N57-E59 PolarHBondContact OD1-N 2.74Å; E59-E62 PolarHBondContact O-N 2.03Å; E59-K63 WeakPolarHBondContact O-CB 3.06Å; E59-K63 PolarHBondContact O-N 3.19Å
60	E	89.8	Confident	78.8	Confident	133 Å²	133	92.3 Å²	92.3	62%	0.621	47%	0.466	S	S	*	.	H	α-helix	trans	-63.9	-43.3	177.6	-174.5	172.6	-173.6	0	0	111.6	T58 E62 K63 L64	T58-E60 PolarHBondContact O-N 3.41Å; E60-E62 VanDerWaalsContact C-N 3.33Å; E60-E62 PolarHBondContact O-N 2.94Å; E60-K63 PolarHBondContact O-N 2.99Å; E60-L64 HydrophobicContact CG-CD1 4.25Å; E60-L64 WeakPolarHBondContact O-CB 3.41Å; E60-L64 VanDerWaalsContact O-CG 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.21Å; E60-L64 PolarHBondContact O-N 2.76Å
61	A	90.7	Very high	81.5	Confident	28 Å²	28	88 Å²	88	23%	0.231	44%	0.44	C	S	.	.	H	α-helix	trans	-61.4	-40.2	177.2	0	0	0	0	0	112.1	T58 L64 R65 E159	T58-A61 PolarHBondContact O-N 2.96Å; A61-L64 PolarHBondContact O-N 2.61Å; A61-R65 VanDerWaalsContact O-CB 3.25Å; A61-R65 WeakPolarHBondContact O-CB 3.3Å; A61-R65 PolarHBondContact O-N 3.28Å; A61-E159 HydrophobicContact CB-CB 4.49Å; A61-E159 HydrophobicContact CB-CG 3.93Å
62	E	93.6	Very high	84	Confident	106 Å²	106	79.7 Å²	79.7	50%	0.495	40%	0.403	S	S	.	.	H	α-helix	trans	-71.3	-38.6	176.9	-70	-59.9	157.1	0	0	112.5	T58 E59 E60 L64 R65 S66	T58-E62 WeakPolarHBondContact O-CG 3.14Å; T58-E62 PolarHBondContact O-N 3.45Å; E59-E62 PolarHBondContact O-N 2.03Å; E60-E62 VanDerWaalsContact C-N 3.33Å; E60-E62 PolarHBondContact O-N 2.94Å; E62-L64 VanDerWaalsContact C-N 3.34Å; E62-L64 PolarHBondContact O-N 2.9Å; E62-R65 PolarHBondContact O-N 2.81Å; E62-S66 PolarHBondContact O-N 2.89Å; E62-S66 PolarHBondContact O-OG 3.44Å
63	K	96.1	Very high	86.7	Confident	147 Å²	147	76.2 Å²	76.2	64%	0.639	39%	0.387	S	S	*	.	H	α-helix	trans	-60.8	-43.7	171.8	-177.1	-178.1	176.3	-175.2	0	111.4	E59 E60 S66 S67	E59-K63 WeakPolarHBondContact O-CB 3.06Å; E59-K63 PolarHBondContact O-N 3.19Å; E60-K63 PolarHBondContact O-N 2.99Å; K63-S66 PolarHBondContact O-OG 3.32Å; K63-S67 WeakPolarHBondContact O-CB 3.23Å; K63-S67 PolarHBondContact O-N 3.5Å; K63-S67 VanDerWaalsContact O-N 3.15Å; K63-S67 PolarHBondContact O-OG 3.18Å
64	L	96.9	Very high	89.2	Confident	13 Å²	13	73 Å²	73	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-66.6	-41.3	174.9	-72.1	177	0	0	0	111.6	E60 A61 E62 S66 S67 I68 R162 H166	E60-L64 HydrophobicContact CG-CD1 4.25Å; E60-L64 WeakPolarHBondContact O-CB 3.41Å; E60-L64 VanDerWaalsContact O-CG 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.21Å; E60-L64 PolarHBondContact O-N 2.76Å; A61-L64 PolarHBondContact O-N 2.61Å; E62-L64 VanDerWaalsContact C-N 3.34Å; E62-L64 PolarHBondContact O-N 2.9Å; L64-S66 VanDerWaalsContact C-N 3.31Å; L64-S66 PolarHBondContact O-N 3.36Å; L64-S67 WeakPolarHBondContact CA-OG 3.45Å; L64-S67 PolarHBondContact O-N 3.02Å; L64-S67 PolarHBondContact O-OG 3.09Å; L64-I68 HydrophobicContact CD2-CD1 4.08Å; L64-I68 WeakPolarHBondContact O-CB 3.26Å; L64-I68 PolarHBondContact O-N 3.37Å; L64-R162 HydrophobicContact CB-CB 4.01Å; L64-R162 HydrophobicContact CD1-CB 4.44Å; L64-H166 HydrophobicContact CD2-CB 3.7Å
65	R	96.2	Very high	91.3	Very high	88 Å²	88	69 Å²	69	33%	0.332	35%	0.353	S	S	.	.	H	α-helix	trans	-59.8	-40.3	177.6	-179.1	-179	175.9	73.4	3.5	112.7	A61 E62 R95	A61-R65 VanDerWaalsContact O-CB 3.25Å; A61-R65 WeakPolarHBondContact O-CB 3.3Å; A61-R65 PolarHBondContact O-N 3.28Å; E62-R65 PolarHBondContact O-N 2.81Å; R65-R95 VanDerWaalsContact NH1-C 3.32Å; R65-R95 PolarHBondContact NH1-O 3.16Å
66	S	96.1	Very high	93.3	Very high	96 Å²	96	61.5 Å²	61.5	67%	0.671	31%	0.314	S	S	*	.	H	α-helix	trans	-76.7	-27.8	179.5	52.9	0	0	0	0	113.6	E62 K63 L64	E62-S66 PolarHBondContact O-N 2.89Å; E62-S66 PolarHBondContact O-OG 3.44Å; K63-S66 PolarHBondContact O-OG 3.32Å; L64-S66 VanDerWaalsContact C-N 3.31Å; L64-S66 PolarHBondContact O-N 3.36Å
67	S	97.3	Very high	94.7	Very high	64 Å²	64	58 Å²	58	45%	0.448	30%	0.296	S	S	.	.	H	α-helix	trans	-92.3	-26.3	-178.6	54	0	0	0	0	114.7	K63 L64	K63-S67 WeakPolarHBondContact O-CB 3.23Å; K63-S67 PolarHBondContact O-N 3.5Å; K63-S67 VanDerWaalsContact O-N 3.15Å; K63-S67 PolarHBondContact O-OG 3.18Å; L64-S67 WeakPolarHBondContact CA-OG 3.45Å; L64-S67 PolarHBondContact O-N 3.02Å; L64-S67 PolarHBondContact O-OG 3.09Å
68	I	98.4	Very high	95.8	Very high	11 Å²	11	54.5 Å²	54.5	6%	0.056	28%	0.28	C	S	.	.			trans	-116.8	108.4	-175	-56.5	174.8	0	0	0	110.7	L64 I70 Y146 R162 L165 H166	L64-I68 HydrophobicContact CD2-CD1 4.08Å; L64-I68 WeakPolarHBondContact O-CB 3.26Å; L64-I68 PolarHBondContact O-N 3.37Å; I68-I70 HydrophobicContact CG2-CD1 4.17Å; I68-I70 HydrophobicContact CG2-CG1 3.95Å; I68-Y146 HydrophobicContact CG2-CD2 3.6Å; I68-Y146 HydrophobicContact CG2-CE2 3.75Å; I68-R162 HydrophobicContact CB-CG 4.26Å; I68-R162 HydrophobicContact CD1-CB 4.22Å; I68-R162 VanDerWaalsContact CD1-O 3.31Å; I68-R162 WeakPolarHBondContact CD1-O 3.21Å; I68-R162 HydrophobicContact CG2-CG 4.31Å; I68-R162 PolarHBondContact O-NE 3.14Å; I68-L165 HydrophobicContact CD1-CB 4.47Å; I68-L165 HydrophobicContact CG2-CB 4.46Å; I68-H166 HydrophobicContact CD1-CB 3.87Å
69	R	98.6	Very high	96.4	Very high	99 Å²	99	59.2 Å²	59.2	37%	0.374	29%	0.293	S	S	.	.			trans	-92.6	115.5	-177.7	-57.4	171.7	-62.6	162.6	6.1	110.9	T97 D143 Y144 D145 Y146	R69-T97 WeakPolarHBondContact CA-OG1 3.24Å; R69-T97 HydrophobicContact CB-CG2 4.11Å; R69-T97 HydrophobicContact CG-CG2 4.28Å; R69-D143 PolarHBondContact NH1-O 3.11Å; R69-Y144 HydrophobicContact CB-CD1 4Å; R69-D145 VanDerWaalsContact CB-OD2 3.3Å; R69-D145 WeakPolarHBondContact CB-OD2 3.48Å; R69-D145 IonicContact CZ-OD1 3.58Å; R69-D145 PolarHBondContact N-OD2 3.43Å; R69-D145 IonicContact NE-OD1 3.52Å; R69-D145 IonicContact NE-OD2 2.63Å; R69-D145 PolarHBondContact NE-OD2 3.09Å; R69-D145 IonicContact NH2-OD1 3.82Å; R69-D145 PolarHBondContact NH2-OD1 3.32Å; R69-D145 IonicContact NH2-OD2 3.63Å; R69-D145 PolarHBondContact O-N 3.25Å; R69-Y146 PolarHBondContact O-N 3.16Å
70	I	98.9	Very high	96.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.6	-177.4	-49.3	-178.5	0	0	0	109.9	I68 T97 K98 Y146 L148 M158 L161 R162 L165	I68-I70 HydrophobicContact CG2-CD1 4.17Å; I68-I70 HydrophobicContact CG2-CG1 3.95Å; I70-T97 PolarHBondContact N-OG1 3.01Å; I70-T97 VanDerWaalsContact O-CB 3.28Å; I70-T97 WeakPolarHBondContact O-CB 3.48Å; I70-T97 PolarHBondContact O-N 3.03Å; I70-K98 PolarHBondContact O-N 3.24Å; I70-Y146 WeakPolarHBondContact CA-O 3.32Å; I70-L148 HydrophobicContact CG2-CB 3.95Å; I70-M158 HydrophobicContact CB-CE 4.14Å; I70-M158 HydrophobicContact CD1-CE 3.77Å; I70-M158 HydrophobicContact CG1-CE 4.5Å; I70-M158 HydrophobicContact CG2-CE 4.07Å; I70-L161 HydrophobicContact CD1-CD2 4.06Å; I70-L161 HydrophobicContact CD1-CG 4.25Å; I70-R162 HydrophobicContact CD1-CG 3.76Å; I70-L165 HydrophobicContact CD1-CD1 3.68Å; I70-L165 HydrophobicContact CG1-CD1 4.44Å
71	L	98.8	Very high	97.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.1	166	-172.4	159.8	0	0	0	108.8	Y73 K98 L100 V137 Y140 Y144 Y146 F147 L148	L71-Y73 HydrophobicContact CD2-CD1 4.14Å; L71-K98 CarbonylContact C-O 3.57Å; L71-K98 WeakPolarHBondContact CA-O 3.5Å; L71-K98 HydrophobicContact CD1-CD 4.1Å; L71-K98 HydrophobicContact CG-CB 4.36Å; L71-K98 HydrophobicContact CG-CG 4.44Å; L71-L100 HydrophobicContact CD1-CD1 4.39Å; L71-L100 HydrophobicContact CD2-CD1 4.34Å; L71-V137 HydrophobicContact CD2-CG1 4.09Å; L71-V137 HydrophobicContact CD2-CG2 4.49Å; L71-Y140 HydrophobicContact CD1-CD1 4.42Å; L71-Y140 HydrophobicContact CD1-CD2 3.6Å; L71-Y140 HydrophobicContact CD1-CE2 4.34Å; L71-Y140 HydrophobicContact CD1-CG 3.65Å; L71-Y144 HydrophobicContact CB-CD1 3.92Å; L71-Y144 HydrophobicContact CB-CD2 3.87Å; L71-Y144 HydrophobicContact CB-CE1 4.31Å; L71-Y144 HydrophobicContact CB-CE2 4.27Å; L71-Y144 HydrophobicContact CB-CG 3.7Å; L71-Y144 HydrophobicContact CD1-CD2 3.82Å; L71-Y144 HydrophobicContact CD1-CE2 3.72Å; L71-Y144 HydrophobicContact CG-CD2 4.45Å; L71-Y144 HydrophobicContact CG-CE2 4.48Å; L71-Y146 PolarHBondContact N-O 3.38Å; L71-F147 HydrophobicContact CB-CD1 3.9Å; L71-F147 HydrophobicContact CB-CE1 4.03Å; L71-F147 HydrophobicContact CD1-CE1 4.18Å; L71-F147 HydrophobicContact CD2-CD1 4.27Å; L71-F147 HydrophobicContact CG-CD1 4.45Å; L71-F147 CarbonylContact O-C 3.58Å; L71-F147 WeakPolarHBondContact O-CA 3.39Å; L71-L148 PolarHBondContact O-N 3.5Å
72	C	98.9	Very high	97.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.2	172.9	-56.3	0	0	0	0	109.8	I74 W92 C96 K98 Y99 L100 L148	C72-I74 HydrophobicContact CB-CD1 4.01Å; C72-W92 HydrophobicContact CB-CZ3 4.43Å; C72-C96 HydrophobicContact CB-CB 3.77Å; C72-C96 WeakPolarHBondContact CB-SG 3.39Å; C72-C96 WeakPolarHBondContact SG-CB 3.49Å; C72-C96 CovalentContact SG-SG 2.02Å; C72-C96 PolarHBondContact SG-SG 3.46Å; C72-K98 PolarHBondContact N-O 2.88Å; C72-Y99 CarbonylContact O-C 3.57Å; C72-Y99 WeakPolarHBondContact O-CA 3.39Å; C72-L100 PolarHBondContact O-N 3.27Å; C72-L148 CarbonylContact C-O 3.49Å; C72-L148 WeakPolarHBondContact CA-O 3.23Å
73	Y	98.7	Very high	97.7	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	114.4	171.2	57.4	-82.5	0	0	0	108.9	L71 L100 M102 M130 I133 V137 F147 L148 K149 A150	L71-Y73 HydrophobicContact CD2-CD1 4.14Å; Y73-L100 WeakPolarHBondContact CA-O 3.28Å; Y73-M102 HydrophobicContact CG-CE 4.48Å; Y73-M130 HydrophobicContact CE2-CE 3.68Å; Y73-M130 HydrophobicContact CE2-SD 4.17Å; Y73-M130 WeakPolarHBondContact OH-CE 3.28Å; Y73-I133 HydrophobicContact CD2-CG2 3.5Å; Y73-I133 VanDerWaalsContact CD2-CG2 3.5Å; Y73-I133 HydrophobicContact CE2-CG2 3.85Å; Y73-I133 HydrophobicContact CG-CG2 4.23Å; Y73-V137 HydrophobicContact CD1-CG1 4.36Å; Y73-V137 HydrophobicContact CD1-CG2 4.25Å; Y73-V137 HydrophobicContact CG-CG2 4.09Å; Y73-F147 HydrophobicContact CE1-CB 3.93Å; Y73-L148 VanDerWaalsContact CD1-O 3.26Å; Y73-L148 WeakPolarHBondContact CD1-O 3.21Å; Y73-L148 PolarHBondContact N-O 3.18Å; Y73-K149 HydrophobicContact CD2-CB 4.27Å; Y73-K149 HydrophobicContact CD2-CG 4.13Å; Y73-K149 HydrophobicContact CE1-CB 4.25Å; Y73-K149 HydrophobicContact CE2-CB 3.5Å; Y73-K149 HydrophobicContact CE2-CG 3.49Å; Y73-K149 VanDerWaalsContact CE2-CG 3.49Å; Y73-A150 PolarHBondContact O-N 3.26Å
74	I	98.7	Very high	97.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117	-172.2	-58.9	87.4	0	0	0	108	C72 V88 W92 L100 F101 M102 A150 D152	C72-I74 HydrophobicContact CB-CD1 4.01Å; I74-V88 HydrophobicContact CG1-CG1 4.09Å; I74-V88 HydrophobicContact CG2-CG1 4.28Å; I74-W92 HydrophobicContact CD1-CH2 4.47Å; I74-W92 HydrophobicContact CG1-CH2 3.96Å; I74-W92 HydrophobicContact CG1-CZ2 4.26Å; I74-L100 WeakPolarHBondContact CD1-O 3.32Å; I74-L100 PolarHBondContact N-O 2.9Å; I74-F101 HydrophobicContact CB-CD1 3.8Å; I74-F101 HydrophobicContact CB-CE1 3.9Å; I74-F101 HydrophobicContact CG1-CE1 4.32Å; I74-F101 HydrophobicContact CG2-CD1 3.86Å; I74-F101 HydrophobicContact CG2-CE1 3.78Å; I74-F101 CarbonylContact O-C 3.52Å; I74-F101 WeakPolarHBondContact O-CA 3.47Å; I74-M102 PolarHBondContact O-N 3.42Å; I74-A150 CarbonylContact C-O 3.49Å; I74-A150 WeakPolarHBondContact CA-O 3.4Å; I74-D152 HydrophobicContact CG2-CB 4.47Å
75	N	98.2	Very high	97.9	Very high	22 Å²	22	47.2 Å²	47.2	12%	0.118	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122.6	176.7	-178.8	42.9	0	0	0	109.9	K129 A150 D151 D152	N75-K129 WeakPolarHBondContact OD1-CE 3.5Å; N75-K129 PolarHBondContact OD1-NZ 3.38Å; N75-A150 PolarHBondContact N-O 3.21Å; N75-D151 PolarHBondContact ND2-OD1 2.85Å; N75-D152 PolarHBondContact O-N 3.22Å
76	T	97.8	Very high	98	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	22%	0.223	C	C	.	.			trans	-147.3	172	179.6	-170.2	0	0	0	0	110.7	T80 A85 F101 M102 K129 D152	T76-T80 PolarHBondContact OG1-OG1 3.42Å; T76-A85 HydrophobicContact CG2-CB 4.22Å; T76-F101 HydrophobicContact CG2-CB 4.11Å; T76-F101 HydrophobicContact CG2-CD1 4.15Å; T76-M102 PolarHBondContact N-O 3.04Å; T76-K129 PolarHBondContact O-NZ 3.08Å; T76-D152 WeakPolarHBondContact CB-OD2 3.16Å; T76-D152 PolarHBondContact OG1-OD2 2.67Å
77	I	97.3	Very high	98.1	Very high	57 Å²	57	42.7 Å²	42.7	29%	0.292	20%	0.203	S	C	.	.			trans	-129.6	157.7	176.2	61	170.4	0	0	0	110.1	K79 T80 H81 E121	I77-K79 HydrophobicContact CD1-CB 4.09Å; I77-K79 HydrophobicContact CG1-CB 4.28Å; I77-K79 PolarHBondContact O-N 2.73Å; I77-T80 HydrophobicContact CD1-CG2 4.33Å; I77-T80 HydrophobicContact CG1-CG2 3.99Å; I77-T80 VanDerWaalsContact CG1-OG1 3.22Å; I77-T80 WeakPolarHBondContact CG1-OG1 3.05Å; I77-T80 PolarHBondContact N-OG1 3.41Å; I77-T80 PolarHBondContact O-N 2.82Å; I77-T80 PolarHBondContact O-OG1 2.79Å; I77-T80 VanDerWaalsContact O-OG1 3.09Å; I77-H81 VanDerWaalsContact C-CD2 3.46Å; I77-H81 PolarHBondContact O-CD2 2.88Å; I77-H81 PolarHBondContact O-N 3.4Å; I77-E121 HydrophobicContact CB-CB 4.4Å; I77-E121 HydrophobicContact CG2-CB 3.73Å; I77-E121 HydrophobicContact CG2-CG 4.44Å
78	P	96.9	Very high	98.2	Very high	51 Å²	51	39.6 Å²	39.6	33%	0.331	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-51.6	-36.8	-177.7	-29.7	32.8	0	0	0	113.3	T80 S103 V105 E121	P78-T80 VanDerWaalsContact C-N 3.26Å; P78-T80 PolarHBondContact O-N 2.96Å; P78-S103 WeakPolarHBondContact CD-OG 3.49Å; P78-V105 HydrophobicContact CB-CB 4.24Å; P78-V105 HydrophobicContact CB-CG2 4.13Å; P78-V105 HydrophobicContact CG-CB 3.76Å; P78-V105 HydrophobicContact CG-CG2 3.51Å; P78-E121 WeakPolarHBondContact CD-OE2 3.46Å
79	K	97.2	Very high	98.2	Very high	181 Å²	181	42 Å²	42	79%	0.787	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-64	-27.3	178.2	-172.8	178.3	178.7	-179	0	113.4	I77	I77-K79 HydrophobicContact CD1-CB 4.09Å; I77-K79 HydrophobicContact CG1-CB 4.28Å; I77-K79 PolarHBondContact O-N 2.73Å
80	T	97.5	Very high	98.1	Very high	18 Å²	18	40.4 Å²	40.4	11%	0.11	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-109.3	2.1	-174.5	55.9	0	0	0	0	114	T76 I77 P78 R82 T83 K84 A85 D152	T76-T80 PolarHBondContact OG1-OG1 3.42Å; I77-T80 HydrophobicContact CD1-CG2 4.33Å; I77-T80 HydrophobicContact CG1-CG2 3.99Å; I77-T80 VanDerWaalsContact CG1-OG1 3.22Å; I77-T80 WeakPolarHBondContact CG1-OG1 3.05Å; I77-T80 PolarHBondContact N-OG1 3.41Å; I77-T80 PolarHBondContact O-N 2.82Å; I77-T80 PolarHBondContact O-OG1 2.79Å; I77-T80 VanDerWaalsContact O-OG1 3.09Å; P78-T80 VanDerWaalsContact C-N 3.26Å; P78-T80 PolarHBondContact O-N 2.96Å; T80-R82 PolarHBondContact O-N 3.26Å; T80-T83 WeakPolarHBondContact CA-OG1 3.04Å; T80-T83 PolarHBondContact O-N 2.97Å; T80-K84 HydrophobicContact CG2-CD 4.07Å; T80-K84 HydrophobicContact CG2-CG 4.41Å; T80-K84 PolarHBondContact O-N 3.48Å; T80-A85 PolarHBondContact O-N 3.43Å; T80-A85 VanDerWaalsContact O-N 3.11Å; T80-D152 VanDerWaalsContact CB-OD2 3.23Å; T80-D152 WeakPolarHBondContact CB-OD2 3.45Å; T80-D152 PolarHBondContact OG1-OD2 3.13Å
81	H	98.2	Very high	98.1	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.037	19%	0.191	C	C	.	.	I	π-helix	trans	-51.1	-53.5	176.8	-74.8	-170.4	0	0	0	112.6	I77 A85 I86 S103 D107 L110	I77-H81 VanDerWaalsContact C-CD2 3.46Å; I77-H81 PolarHBondContact O-CD2 2.88Å; I77-H81 PolarHBondContact O-N 3.4Å; H81-A85 PolarHBondContact O-N 2.73Å; H81-I86 PolarHBondContact O-N 2.99Å; H81-S103 PolarHBondContact CE1-OG 3.47Å; H81-S103 VanDerWaalsContact NE2-CB 3.31Å; H81-S103 WeakPolarHBondContact NE2-CB 3.41Å; H81-S103 PolarHBondContact NE2-OG 2.99Å; H81-D107 WeakPolarHBondContact CB-OD2 3.34Å; H81-D107 IonicContact CG-OD2 2.95Å; H81-D107 WeakPolarHBondContact ND1-CB 3.29Å; H81-D107 IonicContact ND1-OD2 3.05Å; H81-D107 PolarHBondContact ND1-OD2 3.31Å; H81-L110 HydrophobicContact CB-CD1 3.77Å
82	R	97.5	Very high	98.1	Very high	160 Å²	160	40.4 Å²	40.4	60%	0.604	19%	0.191	S	C	*	.	I	π-helix	trans	-84.2	-20.2	-177.9	-70.5	-173.6	172.4	145.2	-1	114.6	T80 I86 E109	T80-R82 PolarHBondContact O-N 3.26Å; R82-I86 WeakPolarHBondContact O-CG2 3.39Å; R82-E109 IonicContact NE-OE2 3.91Å; R82-E109 IonicContact NH2-OE1 3.31Å
83	T	97.7	Very high	98.1	Very high	78 Å²	78	40.4 Å²	40.4	48%	0.479	19%	0.191	S	C	.	.	I	π-helix	trans	-102.4	-12.1	-174.5	55.9	0	0	0	0	113.5	T80 Y87 P317	T80-T83 WeakPolarHBondContact CA-OG1 3.04Å; T80-T83 PolarHBondContact O-N 2.97Å; T83-Y87 VanDerWaalsContact C-CE2 3.48Å; T83-Y87 WeakPolarHBondContact O-CD2 3.31Å; T83-Y87 VanDerWaalsContact O-CE2 3.23Å; T83-Y87 WeakPolarHBondContact O-CE2 3.5Å; T83-P317 WeakPolarHBondContact O-CG 3.37Å
84	K	98.4	Very high	98	Very high	56 Å²	56	44.6 Å²	44.6	24%	0.243	21%	0.209	C	C	.	.	I	π-helix	trans	-140	-60.8	179.1	-65.7	-168.8	173.7	-168.9	0	112.4	T80 I86 Y87 V88 D152 D153	T80-K84 HydrophobicContact CG2-CD 4.07Å; T80-K84 HydrophobicContact CG2-CG 4.41Å; T80-K84 PolarHBondContact O-N 3.48Å; K84-I86 VanDerWaalsContact C-N 3.31Å; K84-I86 PolarHBondContact O-N 2.97Å; K84-Y87 WeakPolarHBondContact O-CB 3.4Å; K84-Y87 PolarHBondContact O-N 3.27Å; K84-V88 PolarHBondContact O-N 2.48Å; K84-D152 HydrophobicContact CB-CB 3.86Å; K84-D152 WeakPolarHBondContact CB-O 3.49Å; K84-D152 WeakPolarHBondContact CD-OD1 3.27Å; K84-D152 IonicContact NZ-OD1 2.65Å; K84-D153 HydrophobicContact CD-CB 4.24Å; K84-D153 IonicContact NZ-OD2 3.67Å; K84-D153 PolarHBondContact NZ-OD2 3.46Å
85	A	98.4	Very high	97.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-61.4	-35	-171.4	0	0	0	0	0	114	T76 T80 H81 Y87 V88 K89 F101 L110 D152	T76-A85 HydrophobicContact CG2-CB 4.22Å; T80-A85 PolarHBondContact O-N 3.43Å; T80-A85 VanDerWaalsContact O-N 3.11Å; H81-A85 PolarHBondContact O-N 2.73Å; A85-Y87 PolarHBondContact O-N 3.43Å; A85-V88 WeakPolarHBondContact O-CB 3.39Å; A85-V88 PolarHBondContact O-N 3.05Å; A85-K89 PolarHBondContact O-N 3.37Å; A85-F101 HydrophobicContact CB-CD1 3.74Å; A85-F101 HydrophobicContact CB-CE1 3.66Å; A85-F101 WeakPolarHBondContact O-CE1 3.17Å; A85-F101 WeakPolarHBondContact O-CZ 3.05Å; A85-L110 HydrophobicContact CB-CD1 3.7Å; A85-D152 HydrophobicContact CB-CB 4.18Å
86	I	98.3	Very high	97.9	Very high	24 Å²	24	45 Å²	45	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-34.2	175.2	-165.5	65.2	0	0	0	112.6	H81 R82 K84 K89 N90 E109 L110	H81-I86 PolarHBondContact O-N 2.99Å; R82-I86 WeakPolarHBondContact O-CG2 3.39Å; K84-I86 VanDerWaalsContact C-N 3.31Å; K84-I86 PolarHBondContact O-N 2.97Å; I86-K89 HydrophobicContact CD1-CD 4.23Å; I86-K89 WeakPolarHBondContact O-CB 3.37Å; I86-K89 PolarHBondContact O-N 3.23Å; I86-N90 WeakPolarHBondContact O-CB 3.48Å; I86-N90 PolarHBondContact O-N 3.49Å; I86-N90 PolarHBondContact O-ND2 3.08Å; I86-E109 HydrophobicContact CD1-CB 4.43Å; I86-L110 HydrophobicContact CB-CD2 4.46Å; I86-L110 HydrophobicContact CD1-CD2 3.94Å
87	Y	98.4	Very high	98	Very high	64 Å²	64	47.7 Å²	47.7	25%	0.251	23%	0.226	S	C	.	.	H	α-helix	trans	-74.2	-37.1	179	-55.5	-68	0	0	0	111	T83 K84 A85 N90 T91 P317 Y321	T83-Y87 VanDerWaalsContact C-CE2 3.48Å; T83-Y87 WeakPolarHBondContact O-CD2 3.31Å; T83-Y87 VanDerWaalsContact O-CE2 3.23Å; T83-Y87 WeakPolarHBondContact O-CE2 3.5Å; K84-Y87 WeakPolarHBondContact O-CB 3.4Å; K84-Y87 PolarHBondContact O-N 3.27Å; A85-Y87 PolarHBondContact O-N 3.43Å; Y87-N90 PolarHBondContact O-N 3.32Å; Y87-T91 WeakPolarHBondContact O-CB 3.02Å; Y87-T91 VanDerWaalsContact O-CG2 3.28Å; Y87-T91 WeakPolarHBondContact O-CG2 3.35Å; Y87-T91 PolarHBondContact O-N 3.18Å; Y87-T91 PolarHBondContact O-OG1 3.44Å; Y87-P317 HydrophobicContact CD1-CB 4.28Å; Y87-P317 HydrophobicContact CD2-CB 3.51Å; Y87-P317 HydrophobicContact CD2-CG 3.66Å; Y87-P317 HydrophobicContact CE1-CB 4.21Å; Y87-P317 HydrophobicContact CE2-CB 3.43Å; Y87-P317 VanDerWaalsContact CE2-CB 3.43Å; Y87-P317 HydrophobicContact CE2-CG 3.58Å; Y87-P317 HydrophobicContact CG-CB 3.95Å; Y87-Y321 HydrophobicContact CD1-CD2 4.15Å; Y87-Y321 AromaticContact CD1-CE2 3.36Å; Y87-Y321 HydrophobicContact CD1-CE2 3.36Å; Y87-Y321 AromaticContact CD1-CZ 3.63Å; Y87-Y321 HydrophobicContact CE1-CD2 4.49Å; Y87-Y321 AromaticContact CE1-CE2 3.61Å; Y87-Y321 HydrophobicContact CE1-CE2 3.61Å
88	V	98.6	Very high	98	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-46.3	169.8	170.3	0	0	0	0	111	I74 K84 A85 N90 T91 W92 A93 F101 D152 M320	I74-V88 HydrophobicContact CG1-CG1 4.09Å; I74-V88 HydrophobicContact CG2-CG1 4.28Å; K84-V88 PolarHBondContact O-N 2.48Å; A85-V88 WeakPolarHBondContact O-CB 3.39Å; A85-V88 PolarHBondContact O-N 3.05Å; V88-N90 VanDerWaalsContact C-N 3.33Å; V88-N90 PolarHBondContact O-N 3.04Å; V88-T91 PolarHBondContact O-N 3.16Å; V88-W92 HydrophobicContact CG1-CD2 4.39Å; V88-W92 HydrophobicContact CG1-CH2 4.32Å; V88-W92 HydrophobicContact CG1-CZ2 3.49Å; V88-W92 VanDerWaalsContact CG1-CZ2 3.49Å; V88-A93 HydrophobicContact CG1-CB 3.9Å; V88-A93 WeakPolarHBondContact O-CB 3.2Å; V88-A93 PolarHBondContact O-N 2.56Å; V88-A93 VanDerWaalsContact O-N 3.16Å; V88-F101 HydrophobicContact CB-CE1 4.21Å; V88-F101 HydrophobicContact CB-CZ 4.33Å; V88-F101 HydrophobicContact CG1-CE1 4.06Å; V88-F101 HydrophobicContact CG1-CZ 4.06Å; V88-D152 WeakPolarHBondContact CG2-O 3.06Å; V88-M320 HydrophobicContact CG2-CE 3.91Å
89	K	98.4	Very high	98.1	Very high	61 Å²	61	48.4 Å²	48.4	27%	0.265	22%	0.221	S	C	.	.	H	α-helix	trans	-57.2	-45.2	175.8	179.1	-172.3	166.1	-154.8	0	111.9	A85 I86 T91 Y99 F101 E109 L110	A85-K89 PolarHBondContact O-N 3.37Å; I86-K89 HydrophobicContact CD1-CD 4.23Å; I86-K89 WeakPolarHBondContact O-CB 3.37Å; I86-K89 PolarHBondContact O-N 3.23Å; K89-T91 VanDerWaalsContact C-N 3.3Å; K89-T91 PolarHBondContact O-N 3.1Å; K89-Y99 HydrophobicContact CG-CE2 4.19Å; K89-F101 HydrophobicContact CB-CE2 3.98Å; K89-F101 HydrophobicContact CB-CZ 3.82Å; K89-E109 WeakPolarHBondContact CD-O 3.34Å; K89-E109 WeakPolarHBondContact CE-O 3.49Å; K89-E109 PolarHBondContact NZ-O 3.1Å; K89-L110 HydrophobicContact CB-CD2 3.95Å; K89-L110 HydrophobicContact CD-CD2 3.79Å; K89-L110 HydrophobicContact CG-CD2 4.45Å
90	N	97.8	Very high	98.2	Very high	66 Å²	66	40.2 Å²	40.2	35%	0.353	19%	0.185	S	C	.	.	H	α-helix	trans	-78.4	-13.5	-174.4	-66.7	-13.4	0	0	0	113.6	I86 Y87 V88 Y321	I86-N90 WeakPolarHBondContact O-CB 3.48Å; I86-N90 PolarHBondContact O-N 3.49Å; I86-N90 PolarHBondContact O-ND2 3.08Å; Y87-N90 PolarHBondContact O-N 3.32Å; V88-N90 VanDerWaalsContact C-N 3.33Å; V88-N90 PolarHBondContact O-N 3.04Å; N90-Y321 HydrophobicContact CB-CE1 3.91Å; N90-Y321 PolarHBondContact ND2-OH 3.45Å
91	T	98.5	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-106.3	-176.4	59.1	0	0	0	0	111.1	Y87 V88 K89 K94 R95 M320 Y321 E324	Y87-T91 WeakPolarHBondContact O-CB 3.02Å; Y87-T91 VanDerWaalsContact O-CG2 3.28Å; Y87-T91 WeakPolarHBondContact O-CG2 3.35Å; Y87-T91 PolarHBondContact O-N 3.18Å; Y87-T91 PolarHBondContact O-OG1 3.44Å; V88-T91 PolarHBondContact O-N 3.16Å; K89-T91 VanDerWaalsContact C-N 3.3Å; K89-T91 PolarHBondContact O-N 3.1Å; T91-K94 WeakPolarHBondContact O-CD 3.3Å; T91-K94 WeakPolarHBondContact O-CE 3.43Å; T91-K94 WeakPolarHBondContact O-CG 3.41Å; T91-R95 PolarHBondContact O-NH1 3.14Å; T91-M320 HydrophobicContact CG2-CB 4.24Å; T91-Y321 HydrophobicContact CG2-CD1 3.62Å; T91-Y321 HydrophobicContact CG2-CE1 3.89Å; T91-E324 WeakPolarHBondContact CA-OE2 3.38Å; T91-E324 HydrophobicContact CG2-CB 3.77Å; T91-E324 HydrophobicContact CG2-CG 4.04Å
92	W	98.5	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-76.8	-26.5	-166.9	67.6	-95.1	0	0	0	114.6	C72 I74 V88 K94 R95 L148 A150 T154 F155 V156 M158	C72-W92 HydrophobicContact CB-CZ3 4.43Å; I74-W92 HydrophobicContact CD1-CH2 4.47Å; I74-W92 HydrophobicContact CG1-CH2 3.96Å; I74-W92 HydrophobicContact CG1-CZ2 4.26Å; V88-W92 HydrophobicContact CG1-CD2 4.39Å; V88-W92 HydrophobicContact CG1-CH2 4.32Å; V88-W92 HydrophobicContact CG1-CZ2 3.49Å; V88-W92 VanDerWaalsContact CG1-CZ2 3.49Å; W92-K94 PolarHBondContact O-N 3.23Å; W92-K94 VanDerWaalsContact O-N 3.12Å; W92-R95 WeakPolarHBondContact O-CB 3.02Å; W92-R95 PolarHBondContact O-N 2.97Å; W92-L148 HydrophobicContact CZ3-CD2 4.15Å; W92-A150 HydrophobicContact CH2-CB 3.6Å; W92-A150 HydrophobicContact CZ2-CB 3.79Å; W92-T154 PolarHBondContact NE1-O 2.93Å; W92-F155 HydrophobicContact CB-CD2 4.49Å; W92-F155 HydrophobicContact CB-CE1 4.44Å; W92-F155 HydrophobicContact CB-CE2 4.21Å; W92-F155 HydrophobicContact CB-CZ 4.18Å; W92-F155 AromaticContact CD1-CD2 3.67Å; W92-F155 AromaticContact CD1-CG 3.97Å; W92-F155 HydrophobicContact CG-CD2 4.41Å; W92-V156 VanDerWaalsContact CB-O 3.24Å; W92-V156 WeakPolarHBondContact CB-O 3.4Å; W92-V156 HydrophobicContact CD2-CB 3.95Å; W92-V156 HydrophobicContact CD2-CG2 4.23Å; W92-V156 HydrophobicContact CE3-CB 3.71Å; W92-V156 HydrophobicContact CE3-CG2 4.11Å; W92-V156 HydrophobicContact CH2-CB 4.4Å; W92-V156 HydrophobicContact CH2-CG2 3.89Å; W92-V156 HydrophobicContact CZ2-CG2 3.99Å; W92-V156 HydrophobicContact CZ3-CB 3.95Å; W92-V156 HydrophobicContact CZ3-CG2 3.94Å; W92-M158 HydrophobicContact CE3-CG 4.33Å; W92-M158 HydrophobicContact CE3-SD 4.26Å; W92-M158 HydrophobicContact CZ3-SD 4.28Å
93	A	98.5	Very high	98.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-61.4	-27.8	-175.3	0	0	0	0	0	113	V88 R95 C96 Y99	V88-A93 HydrophobicContact CG1-CB 3.9Å; V88-A93 WeakPolarHBondContact O-CB 3.2Å; V88-A93 PolarHBondContact O-N 2.56Å; V88-A93 VanDerWaalsContact O-N 3.16Å; A93-R95 PolarHBondContact O-N 3.03Å; A93-R95 VanDerWaalsContact O-N 3.13Å; A93-C96 VanDerWaalsContact O-CB 3.23Å; A93-C96 WeakPolarHBondContact O-CB 3.41Å; A93-C96 PolarHBondContact O-N 3.29Å; A93-C96 PolarHBondContact O-SG 2.85Å; A93-Y99 HydrophobicContact CB-CD1 4.4Å; A93-Y99 HydrophobicContact CB-CD2 4.01Å; A93-Y99 HydrophobicContact CB-CE2 4.46Å; A93-Y99 HydrophobicContact CB-CG 3.98Å; A93-Y99 WeakPolarHBondContact O-CD1 3.16Å
94	K	97	Very high	98.2	Very high	88 Å²	88	29.3 Å²	29.3	38%	0.383	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-61.1	-20.4	174.6	76.8	-162.5	173.4	-171.7	0	113.4	T91 W92 E324	T91-K94 WeakPolarHBondContact O-CD 3.3Å; T91-K94 WeakPolarHBondContact O-CE 3.43Å; T91-K94 WeakPolarHBondContact O-CG 3.41Å; W92-K94 PolarHBondContact O-N 3.23Å; W92-K94 VanDerWaalsContact O-N 3.12Å; K94-E324 WeakPolarHBondContact CE-OE1 3.26Å; K94-E324 IonicContact NZ-OE1 3.82Å; K94-E324 PolarHBondContact NZ-OE1 3.19Å
95	R	97.6	Very high	98.1	Very high	26 Å²	26	30 Å²	30	10%	0.098	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-87	-6.2	176.9	-61.7	175.6	-178.2	77.5	8.5	113	R65 T91 W92 A93 M158 E159 R162 E324 Y328	R65-R95 VanDerWaalsContact NH1-C 3.32Å; R65-R95 PolarHBondContact NH1-O 3.16Å; T91-R95 PolarHBondContact O-NH1 3.14Å; W92-R95 WeakPolarHBondContact O-CB 3.02Å; W92-R95 PolarHBondContact O-N 2.97Å; A93-R95 PolarHBondContact O-N 3.03Å; A93-R95 VanDerWaalsContact O-N 3.13Å; R95-M158 HydrophobicContact CB-CB 3.77Å; R95-M158 HydrophobicContact CB-CG 3.8Å; R95-E159 VanDerWaalsContact CD-OE1 3.25Å; R95-E159 WeakPolarHBondContact CD-OE1 3.25Å; R95-E159 IonicContact NE-OE1 2.76Å; R95-E159 PolarHBondContact NE-OE1 2.94Å; R95-R162 PolarHBondContact O-NH1 3.22Å; R95-R162 PolarHBondContact O-NH2 3.1Å; R95-E324 IonicContact CZ-OE1 2.91Å; R95-E324 IonicContact CZ-OE2 3.44Å; R95-E324 IonicContact NH1-OE1 3.96Å; R95-E324 PolarHBondContact NH1-OE1 3.2Å; R95-E324 IonicContact NH1-OE2 3.28Å; R95-E324 PolarHBondContact NH1-OE2 3.38Å; R95-E324 IonicContact NH2-OE1 3.97Å; R95-E324 PolarHBondContact NH2-OE1 2.99Å; R95-E324 IonicContact NH2-OE2 2.7Å; R95-E324 PolarHBondContact NH2-OE2 2.94Å; R95-Y328 VanDerWaalsContact CZ-CD2 3.44Å; R95-Y328 VanDerWaalsContact CZ-CZ 3.43Å; R95-Y328 VanDerWaalsContact NE-CE1 3.27Å
96	C	98.5	Very high	98	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.027	18%	0.177	C	C	.	.	S	Bend	trans	-67.8	159	165.6	-60.1	0	0	0	0	111.1	C72 A93 K98	C72-C96 HydrophobicContact CB-CB 3.77Å; C72-C96 WeakPolarHBondContact CB-SG 3.39Å; C72-C96 WeakPolarHBondContact SG-CB 3.49Å; C72-C96 CovalentContact SG-SG 2.02Å; C72-C96 PolarHBondContact SG-SG 3.46Å; A93-C96 VanDerWaalsContact O-CB 3.23Å; A93-C96 WeakPolarHBondContact O-CB 3.41Å; A93-C96 PolarHBondContact O-N 3.29Å; A93-C96 PolarHBondContact O-SG 2.85Å; C96-K98 WeakPolarHBondContact CB-O 3.24Å
97	T	98.3	Very high	97.9	Very high	60 Å²	60	37.4 Å²	37.4	37%	0.368	18%	0.177	S	C	.	.	S	Bend	trans	-75.1	-39.9	171.9	-51.5	0	0	0	0	110	R69 I70 Y144	R69-T97 WeakPolarHBondContact CA-OG1 3.24Å; R69-T97 HydrophobicContact CB-CG2 4.11Å; R69-T97 HydrophobicContact CG-CG2 4.28Å; I70-T97 PolarHBondContact N-OG1 3.01Å; I70-T97 VanDerWaalsContact O-CB 3.28Å; I70-T97 WeakPolarHBondContact O-CB 3.48Å; I70-T97 PolarHBondContact O-N 3.03Å; T97-Y144 HydrophobicContact CG2-CD1 4.34Å; T97-Y144 HydrophobicContact CG2-CE1 3.88Å
98	K	98.4	Very high	97.8	Very high	60 Å²	60	42.3 Å²	42.3	26%	0.261	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.4	164.6	178.2	173.6	177	70	0	108.1	I70 L71 C72 C96 Y140 Y144	I70-K98 PolarHBondContact O-N 3.24Å; L71-K98 CarbonylContact C-O 3.57Å; L71-K98 WeakPolarHBondContact CA-O 3.5Å; L71-K98 HydrophobicContact CD1-CD 4.1Å; L71-K98 HydrophobicContact CG-CB 4.36Å; L71-K98 HydrophobicContact CG-CG 4.44Å; C72-K98 PolarHBondContact N-O 2.88Å; C96-K98 WeakPolarHBondContact CB-O 3.24Å; K98-Y140 HydrophobicContact CD-CE1 4.48Å; K98-Y144 HydrophobicContact CB-CE1 3.73Å; K98-Y144 VanDerWaalsContact CB-OH 3.22Å; K98-Y144 WeakPolarHBondContact CB-OH 3.4Å; K98-Y144 HydrophobicContact CD-CE2 4.19Å; K98-Y144 WeakPolarHBondContact CD-OH 3.15Å
99	Y	98.6	Very high	97.6	Very high	62 Å²	62	45.9 Å²	45.9	24%	0.243	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146	171.2	63.3	-84.9	0	0	0	110.9	C72 K89 A93 F101 P111	C72-Y99 CarbonylContact O-C 3.57Å; C72-Y99 WeakPolarHBondContact O-CA 3.39Å; K89-Y99 HydrophobicContact CG-CE2 4.19Å; A93-Y99 HydrophobicContact CB-CD1 4.4Å; A93-Y99 HydrophobicContact CB-CD2 4.01Å; A93-Y99 HydrophobicContact CB-CE2 4.46Å; A93-Y99 HydrophobicContact CB-CG 3.98Å; A93-Y99 WeakPolarHBondContact O-CD1 3.16Å; Y99-F101 HydrophobicContact CD2-CD2 4.36Å; Y99-F101 AromaticContact CD2-CE2 3.72Å; Y99-F101 HydrophobicContact CD2-CE2 3.72Å; Y99-F101 AromaticContact CE2-CE2 3.89Å; Y99-F101 HydrophobicContact CE2-CE2 3.89Å; Y99-P111 HydrophobicContact CD2-CG 3.8Å; Y99-P111 HydrophobicContact CE2-CG 3.44Å; Y99-P111 VanDerWaalsContact CE2-CG 3.44Å
100	L	98.4	Very high	97.5	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.047	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.2	-178.4	-66.3	174.6	0	0	0	108.8	L71 C72 Y73 I74 M102 V113 Y136 Y140	L71-L100 HydrophobicContact CD1-CD1 4.39Å; L71-L100 HydrophobicContact CD2-CD1 4.34Å; C72-L100 PolarHBondContact O-N 3.27Å; Y73-L100 WeakPolarHBondContact CA-O 3.28Å; I74-L100 WeakPolarHBondContact CD1-O 3.32Å; I74-L100 PolarHBondContact N-O 2.9Å; L100-M102 HydrophobicContact CB-CE 3.53Å; L100-M102 HydrophobicContact CD1-CE 3.78Å; L100-M102 HydrophobicContact CG-CE 4.33Å; L100-V113 HydrophobicContact CB-CG2 4.15Å; L100-V113 HydrophobicContact CD1-CG2 4.16Å; L100-V113 HydrophobicContact CD2-CG2 4.03Å; L100-V113 HydrophobicContact CG-CG2 4.35Å; L100-Y136 HydrophobicContact CD1-CE1 3.99Å; L100-Y140 HydrophobicContact CD1-CD2 4.49Å; L100-Y140 HydrophobicContact CD1-CE2 3.87Å
101	F	98.6	Very high	97.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.4	172.6	-70.6	-89.3	0	0	0	110	I74 T76 A85 V88 K89 Y99 L110 P111 T112 V113	I74-F101 HydrophobicContact CB-CD1 3.8Å; I74-F101 HydrophobicContact CB-CE1 3.9Å; I74-F101 HydrophobicContact CG1-CE1 4.32Å; I74-F101 HydrophobicContact CG2-CD1 3.86Å; I74-F101 HydrophobicContact CG2-CE1 3.78Å; I74-F101 CarbonylContact O-C 3.52Å; I74-F101 WeakPolarHBondContact O-CA 3.47Å; T76-F101 HydrophobicContact CG2-CB 4.11Å; T76-F101 HydrophobicContact CG2-CD1 4.15Å; A85-F101 HydrophobicContact CB-CD1 3.74Å; A85-F101 HydrophobicContact CB-CE1 3.66Å; A85-F101 WeakPolarHBondContact O-CE1 3.17Å; A85-F101 WeakPolarHBondContact O-CZ 3.05Å; V88-F101 HydrophobicContact CB-CE1 4.21Å; V88-F101 HydrophobicContact CB-CZ 4.33Å; V88-F101 HydrophobicContact CG1-CE1 4.06Å; V88-F101 HydrophobicContact CG1-CZ 4.06Å; K89-F101 HydrophobicContact CB-CE2 3.98Å; K89-F101 HydrophobicContact CB-CZ 3.82Å; Y99-F101 HydrophobicContact CD2-CD2 4.36Å; Y99-F101 AromaticContact CD2-CE2 3.72Å; Y99-F101 HydrophobicContact CD2-CE2 3.72Å; Y99-F101 AromaticContact CE2-CE2 3.89Å; Y99-F101 HydrophobicContact CE2-CE2 3.89Å; F101-L110 HydrophobicContact CD2-CB 4.13Å; F101-L110 HydrophobicContact CD2-CD2 4.33Å; F101-L110 HydrophobicContact CE2-CD2 4.1Å; F101-L110 HydrophobicContact CG-CB 4.4Å; F101-L110 HydrophobicContact CZ-CD2 4.26Å; F101-P111 HydrophobicContact CD2-CG 3.87Å; F101-P111 HydrophobicContact CE2-CG 4.15Å; F101-P111 PolarHBondContact N-O 2.95Å; F101-T112 HydrophobicContact CB-CG2 4.14Å; F101-T112 CarbonylContact O-C 3.51Å; F101-T112 VanDerWaalsContact O-CA 3.23Å; F101-T112 WeakPolarHBondContact O-CA 3.28Å; F101-V113 PolarHBondContact O-N 3.27Å
102	M	98.5	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	108.3	-174.1	-61.2	-56.6	170.8	0	0	110	Y73 I74 T76 L100 V113 L115 K129 I133 Y136 V137	Y73-M102 HydrophobicContact CG-CE 4.48Å; I74-M102 PolarHBondContact O-N 3.42Å; T76-M102 PolarHBondContact N-O 3.04Å; L100-M102 HydrophobicContact CB-CE 3.53Å; L100-M102 HydrophobicContact CD1-CE 3.78Å; L100-M102 HydrophobicContact CG-CE 4.33Å; M102-V113 HydrophobicContact CE-CG2 4.23Å; M102-V113 HydrophobicContact SD-CB 3.79Å; M102-V113 HydrophobicContact SD-CG1 4.27Å; M102-V113 HydrophobicContact SD-CG2 3.96Å; M102-L115 HydrophobicContact CB-CD1 4.09Å; M102-K129 WeakPolarHBondContact O-CE 3.2Å; M102-K129 PolarHBondContact O-NZ 3.07Å; M102-I133 HydrophobicContact CB-CD1 3.57Å; M102-I133 HydrophobicContact CB-CG1 3.77Å; M102-I133 HydrophobicContact CE-CG2 4.39Å; M102-I133 HydrophobicContact CG-CD1 3.91Å; M102-I133 HydrophobicContact CG-CG1 3.84Å; M102-I133 HydrophobicContact CG-CG2 3.95Å; M102-I133 HydrophobicContact SD-CG1 4.32Å; M102-I133 HydrophobicContact SD-CG2 4.29Å; M102-Y136 HydrophobicContact CE-CD1 4.32Å; M102-V137 HydrophobicContact CE-CG2 3.58Å
103	S	98	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.5	-171.6	-178.4	0	0	0	0	111.8	P78 H81 V105 V113 K114 L115	P78-S103 WeakPolarHBondContact CD-OG 3.49Å; H81-S103 PolarHBondContact CE1-OG 3.47Å; H81-S103 VanDerWaalsContact NE2-CB 3.31Å; H81-S103 WeakPolarHBondContact NE2-CB 3.41Å; H81-S103 PolarHBondContact NE2-OG 2.99Å; S103-V105 VanDerWaalsContact C-N 3.32Å; S103-V105 PolarHBondContact OG-N 3.27Å; S103-V113 PolarHBondContact N-O 2.87Å; S103-K114 CarbonylContact O-C 3.55Å; S103-K114 WeakPolarHBondContact O-CA 3.21Å; S103-L115 PolarHBondContact O-N 2.97Å
104	S	96.9	Very high	97.1	Very high	36 Å²	36	51.1 Å²	51.1	25%	0.252	24%	0.243	S	C	.	.	S	Bend	trans	-78.2	-13.7	173.6	63.7	0	0	0	0	114.2	K114 E121	S104-K114 VanDerWaalsContact O-CG 3.25Å; S104-K114 WeakPolarHBondContact O-CG 3.41Å; S104-E121 WeakPolarHBondContact CB-OE2 3.23Å; S104-E121 VanDerWaalsContact N-CD 3.29Å; S104-E121 PolarHBondContact N-OE1 2.66Å; S104-E121 PolarHBondContact N-OE2 3.47Å; S104-E121 PolarHBondContact OG-OE2 2.65Å
105	V	96.5	Very high	97.1	Very high	71 Å²	71	47.5 Å²	47.5	43%	0.43	23%	0.228	S	C	.	.	S	Bend	trans	-123.6	137.6	-175.8	-179.7	0	0	0	0	110.5	P78 S103	P78-V105 HydrophobicContact CB-CB 4.24Å; P78-V105 HydrophobicContact CB-CG2 4.13Å; P78-V105 HydrophobicContact CG-CB 3.76Å; P78-V105 HydrophobicContact CG-CG2 3.51Å; S103-V105 VanDerWaalsContact C-N 3.32Å; S103-V105 PolarHBondContact OG-N 3.27Å
106	Y	96.8	Very high	97	Very high	157 Å²	157	54 Å²	54	62%	0.616	27%	0.265	S	S	*	.			trans	-69.3	134.5	171.4	173.7	-96.4	0	0	0	110.7	K108 T112	Y106-K108 HydrophobicContact CE1-CB 4.18Å; Y106-T112 WeakPolarHBondContact CA-OG1 3.33Å
107	D	96.2	Very high	96.9	Very high	22 Å²	22	55.5 Å²	55.5	12%	0.118	27%	0.273	C	S	.	.			trans	-123.1	132.1	172.2	-161.9	-44.6	0	0	0	109.6	H81 E109 L110 T112	H81-D107 WeakPolarHBondContact CB-OD2 3.34Å; H81-D107 IonicContact CG-OD2 2.95Å; H81-D107 WeakPolarHBondContact ND1-CB 3.29Å; H81-D107 IonicContact ND1-OD2 3.05Å; H81-D107 PolarHBondContact ND1-OD2 3.31Å; D107-E109 VanDerWaalsContact C-N 3.28Å; D107-E109 PolarHBondContact O-N 2.84Å; D107-E109 PolarHBondContact OD1-N 3.37Å; D107-L110 HydrophobicContact CB-CB 4.27Å; D107-T112 HydrophobicContact CB-CG2 3.7Å; D107-T112 PolarHBondContact N-OG1 3.27Å
108	K	94.8	Very high	96.6	Very high	166 Å²	166	58.3 Å²	58.3	72%	0.722	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-20.6	179	65.9	178.7	-178.5	175.3	0	113.1	Y106	Y106-K108 HydrophobicContact CE1-CB 4.18Å
109	E	94.7	Very high	96.3	Very high	75 Å²	75	60.6 Å²	60.6	35%	0.35	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-14.6	-177.7	-69.6	172.8	-166.2	0	0	112.6	R82 I86 K89 D107	R82-E109 IonicContact NE-OE2 3.91Å; R82-E109 IonicContact NH2-OE1 3.31Å; I86-E109 HydrophobicContact CD1-CB 4.43Å; K89-E109 WeakPolarHBondContact CD-O 3.34Å; K89-E109 WeakPolarHBondContact CE-O 3.49Å; K89-E109 PolarHBondContact NZ-O 3.1Å; D107-E109 VanDerWaalsContact C-N 3.28Å; D107-E109 PolarHBondContact O-N 2.84Å; D107-E109 PolarHBondContact OD1-N 3.37Å
110	L	96.5	Very high	96.1	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.042	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	143.1	-178.9	-62.9	174.4	0	0	0	109.1	H81 A85 I86 K89 F101 D107 T112	H81-L110 HydrophobicContact CB-CD1 3.77Å; A85-L110 HydrophobicContact CB-CD1 3.7Å; I86-L110 HydrophobicContact CB-CD2 4.46Å; I86-L110 HydrophobicContact CD1-CD2 3.94Å; K89-L110 HydrophobicContact CB-CD2 3.95Å; K89-L110 HydrophobicContact CD-CD2 3.79Å; K89-L110 HydrophobicContact CG-CD2 4.45Å; F101-L110 HydrophobicContact CD2-CB 4.13Å; F101-L110 HydrophobicContact CD2-CD2 4.33Å; F101-L110 HydrophobicContact CE2-CD2 4.1Å; F101-L110 HydrophobicContact CG-CB 4.4Å; F101-L110 HydrophobicContact CZ-CD2 4.26Å; D107-L110 HydrophobicContact CB-CB 4.27Å; L110-T112 HydrophobicContact CB-CG2 3.81Å; L110-T112 PolarHBondContact O-N 3.39Å
111	P	95.1	Very high	95.9	Very high	53 Å²	53	63.7 Å²	63.7	34%	0.344	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	70.7	170.3	29.2	-33.2	0	0	0	110.3	Y99 F101	Y99-P111 HydrophobicContact CD2-CG 3.8Å; Y99-P111 HydrophobicContact CE2-CG 3.44Å; Y99-P111 VanDerWaalsContact CE2-CG 3.44Å; F101-P111 HydrophobicContact CD2-CG 3.87Å; F101-P111 HydrophobicContact CE2-CG 4.15Å; F101-P111 PolarHBondContact N-O 2.95Å
112	T	97.1	Very high	95.6	Very high	17 Å²	17	65.8 Å²	65.8	10%	0.104	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	136.6	-178.3	52.4	0	0	0	0	111.4	F101 Y106 D107 L110	F101-T112 HydrophobicContact CB-CG2 4.14Å; F101-T112 CarbonylContact O-C 3.51Å; F101-T112 VanDerWaalsContact O-CA 3.23Å; F101-T112 WeakPolarHBondContact O-CA 3.28Å; Y106-T112 WeakPolarHBondContact CA-OG1 3.33Å; D107-T112 HydrophobicContact CB-CG2 3.7Å; D107-T112 PolarHBondContact N-OG1 3.27Å; L110-T112 HydrophobicContact CB-CG2 3.81Å; L110-T112 PolarHBondContact O-N 3.39Å
113	V	96.9	Very high	95.3	Very high	8 Å²	8	74.7 Å²	74.7	5%	0.048	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	113.6	161.7	176.8	0	0	0	0	107.1	L100 F101 M102 S103 L115 Y136	L100-V113 HydrophobicContact CB-CG2 4.15Å; L100-V113 HydrophobicContact CD1-CG2 4.16Å; L100-V113 HydrophobicContact CD2-CG2 4.03Å; L100-V113 HydrophobicContact CG-CG2 4.35Å; F101-V113 PolarHBondContact O-N 3.27Å; M102-V113 HydrophobicContact CE-CG2 4.23Å; M102-V113 HydrophobicContact SD-CB 3.79Å; M102-V113 HydrophobicContact SD-CG1 4.27Å; M102-V113 HydrophobicContact SD-CG2 3.96Å; S103-V113 PolarHBondContact N-O 2.87Å; V113-L115 HydrophobicContact CG1-CD2 3.95Å; V113-L115 PolarHBondContact O-N 3.44Å; V113-L115 VanDerWaalsContact O-N 3.13Å; V113-Y136 HydrophobicContact CB-CD1 4.48Å; V113-Y136 HydrophobicContact CB-CE1 4.1Å; V113-Y136 HydrophobicContact CG1-CD1 3.78Å; V113-Y136 HydrophobicContact CG1-CD2 3.61Å; V113-Y136 HydrophobicContact CG1-CE1 3.61Å; V113-Y136 HydrophobicContact CG1-CE2 3.42Å; V113-Y136 VanDerWaalsContact CG1-CE2 3.42Å; V113-Y136 HydrophobicContact CG1-CG 3.77Å; V113-Y136 VanDerWaalsContact CG1-CZ 3.41Å; V113-Y136 HydrophobicContact CG2-CD1 4.05Å; V113-Y136 HydrophobicContact CG2-CE1 3.35Å; V113-Y136 HydrophobicContact CG2-CE2 4.47Å
114	K	96.7	Very high	95.2	Very high	151 Å²	151	81 Å²	81	66%	0.657	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	98.9	175	-171.3	-172.2	176	-178.8	0	109.6	S103 S104	S103-K114 CarbonylContact O-C 3.55Å; S103-K114 WeakPolarHBondContact O-CA 3.21Å; S104-K114 VanDerWaalsContact O-CG 3.25Å; S104-K114 WeakPolarHBondContact O-CG 3.41Å
115	L	96.8	Very high	95.2	Very high	13 Å²	13	80.9 Å²	80.9	7%	0.068	40%	0.401	C	S	.	.			trans	-76	132.5	178	-61.3	172.1	0	0	0	110.5	M102 S103 V113 L117 K129 I133	M102-L115 HydrophobicContact CB-CD1 4.09Å; S103-L115 PolarHBondContact O-N 2.97Å; V113-L115 HydrophobicContact CG1-CD2 3.95Å; V113-L115 PolarHBondContact O-N 3.44Å; V113-L115 VanDerWaalsContact O-N 3.13Å; L115-L117 HydrophobicContact CB-CD1 4.42Å; L115-L117 HydrophobicContact CB-CD2 3.81Å; L115-L117 HydrophobicContact CB-CG 3.88Å; L115-L117 HydrophobicContact CD1-CD2 4.32Å; L115-L117 PolarHBondContact O-N 2.85Å; L115-K129 HydrophobicContact CD1-CG 4.08Å; L115-I133 HydrophobicContact CD1-CD1 4.24Å; L115-I133 HydrophobicContact CD1-CG1 3.59Å; L115-I133 HydrophobicContact CD2-CG1 4.41Å
116	N	94.8	Very high	95.3	Very high	161 Å²	161	79.4 Å²	79.4	86%	0.861	39%	0.39	S	S	*	.			trans	-82.9	103.3	167.4	-171	14.4	0	0	0	108.7
117	L	95.5	Very high	95.3	Very high	37 Å²	37	72 Å²	72	19%	0.194	36%	0.361	C	S	.	.			trans	-108.7	139.6	-174	-59.9	179.3	0	0	0	111	L115 Y119 E121 K129 A132	L115-L117 HydrophobicContact CB-CD1 4.42Å; L115-L117 HydrophobicContact CB-CD2 3.81Å; L115-L117 HydrophobicContact CB-CG 3.88Å; L115-L117 HydrophobicContact CD1-CD2 4.32Å; L115-L117 PolarHBondContact O-N 2.85Å; L117-Y119 VanDerWaalsContact C-N 3.28Å; L117-Y119 WeakPolarHBondContact CB-O 3.27Å; L117-E121 HydrophobicContact CD1-CG 3.46Å; L117-E121 VanDerWaalsContact CD1-CG 3.46Å; L117-K129 HydrophobicContact CD1-CD 4.32Å; L117-K129 HydrophobicContact CD1-CG 4.11Å; L117-K129 HydrophobicContact CD2-CB 4.36Å; L117-K129 HydrophobicContact CD2-CG 4.15Å; L117-A132 HydrophobicContact CD2-CB 3.83Å
118	S	92.4	Very high	95.3	Very high	119 Å²	119	71.8 Å²	71.8	83%	0.832	36%	0.361	S	S	*	.	S	Bend	trans	-75.2	-18.7	174.5	-52.6	0	0	0	0	113.2
119	Y	92.7	Very high	95.4	Very high	107 Å²	107	64.3 Å²	64.3	42%	0.42	33%	0.329	S	S	.	.	S	Bend	trans	-124.8	147.8	-179.2	-60.1	-81.5	0	0	0	110.2	L117 H125 D220	L117-Y119 VanDerWaalsContact C-N 3.28Å; L117-Y119 WeakPolarHBondContact CB-O 3.27Å; Y119-H125 VanDerWaalsContact CB-CG 3.5Å; Y119-H125 AromaticContact CD1-CE1 3.87Å; Y119-H125 AromaticContact CD1-ND1 3.84Å; Y119-H125 HydrophobicContact CG-CB 4.43Å; Y119-H125 AromaticContact CG-ND1 3.75Å; Y119-D220 HydrophobicContact CD2-CB 4.2Å; Y119-D220 HydrophobicContact CE2-CB 3.58Å
120	P	93.9	Very high	95.6	Very high	101 Å²	101	61 Å²	61	66%	0.656	31%	0.313	S	S	*	.			trans	-59.9	148.5	170.9	27.7	-34.5	0	0	0	110	S122 H125	P120-S122 PolarHBondContact O-N 3.01Å; P120-S122 VanDerWaalsContact O-N 3.12Å; P120-H125 PolarHBondContact O-CD2 2.89Å
121	E	93.5	Very high	95.6	Very high	35 Å²	35	61.9 Å²	61.9	16%	0.164	32%	0.316	C	S	.	.	S	Bend	trans	-68.9	116.8	-178.9	-68.6	-177.6	106.1	0	0	111.4	I77 P78 S104 L117 K129	I77-E121 HydrophobicContact CB-CB 4.4Å; I77-E121 HydrophobicContact CG2-CB 3.73Å; I77-E121 HydrophobicContact CG2-CG 4.44Å; P78-E121 WeakPolarHBondContact CD-OE2 3.46Å; S104-E121 WeakPolarHBondContact CB-OE2 3.23Å; S104-E121 VanDerWaalsContact N-CD 3.29Å; S104-E121 PolarHBondContact N-OE1 2.66Å; S104-E121 PolarHBondContact N-OE2 3.47Å; S104-E121 PolarHBondContact OG-OE2 2.65Å; L117-E121 HydrophobicContact CD1-CG 3.46Å; L117-E121 VanDerWaalsContact CD1-CG 3.46Å; E121-K129 HydrophobicContact CG-CD 4.47Å; E121-K129 WeakPolarHBondContact OE1-CE 3.25Å; E121-K129 IonicContact OE1-NZ 3.76Å; E121-K129 PolarHBondContact OE1-NZ 2.95Å
122	S	93.4	Very high	95.7	Very high	44 Å²	44	60.3 Å²	60.3	31%	0.308	31%	0.308	S	S	.	.	S	Bend	trans	-152.2	168.6	175.5	91.7	0	0	0	0	109.7	P120 Q124 H125	P120-S122 PolarHBondContact O-N 3.01Å; P120-S122 VanDerWaalsContact O-N 3.12Å; S122-Q124 PolarHBondContact O-N 3.19Å; S122-Q124 WeakPolarHBondContact OG-CB 3.35Å; S122-Q124 PolarHBondContact OG-N 3.16Å; S122-H125 PolarHBondContact O-N 2.86Å; S122-H125 PolarHBondContact OG-CD2 3.02Å
123	R	92.4	Very high	95.8	Very high	187 Å²	187	59.6 Å²	59.6	71%	0.706	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-59.8	-27.9	173.6	-170.4	177.4	178.2	102	2.2	112.3	H125 L126 D222	R123-H125 VanDerWaalsContact C-N 3.25Å; R123-H125 PolarHBondContact O-N 2.62Å; R123-L126 HydrophobicContact CG-CD1 3.98Å; R123-L126 WeakPolarHBondContact O-CD1 3.23Å; R123-L126 WeakPolarHBondContact O-CG 3.16Å; R123-D222 VanDerWaalsContact O-CA 3.31Å; R123-D222 WeakPolarHBondContact O-CA 3.39Å; R123-D222 VanDerWaalsContact O-CB 3.27Å; R123-D222 WeakPolarHBondContact O-CB 3.49Å
124	Q	95.8	Very high	95.8	Very high	134 Å²	134	59.2 Å²	59.2	63%	0.626	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-72.8	-18.4	-177.7	-65.9	179.3	-18.8	0	0	113.5	S122 E221 D222	S122-Q124 PolarHBondContact O-N 3.19Å; S122-Q124 WeakPolarHBondContact OG-CB 3.35Å; S122-Q124 PolarHBondContact OG-N 3.16Å; Q124-E221 CarbonylContact O-C 3.55Å; Q124-E221 WeakPolarHBondContact O-CA 3.34Å; Q124-D222 PolarHBondContact O-N 3.43Å
125	H	96.9	Very high	95.8	Very high	33 Å²	33	57.6 Å²	57.6	15%	0.153	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-115.7	19.7	-171.8	-50.4	-56.6	0	0	0	112.8	Y119 P120 S122 R123 W127 S128 K129 D220	Y119-H125 VanDerWaalsContact CB-CG 3.5Å; Y119-H125 AromaticContact CD1-CE1 3.87Å; Y119-H125 AromaticContact CD1-ND1 3.84Å; Y119-H125 HydrophobicContact CG-CB 4.43Å; Y119-H125 AromaticContact CG-ND1 3.75Å; P120-H125 PolarHBondContact O-CD2 2.89Å; S122-H125 PolarHBondContact O-N 2.86Å; S122-H125 PolarHBondContact OG-CD2 3.02Å; R123-H125 VanDerWaalsContact C-N 3.25Å; R123-H125 PolarHBondContact O-N 2.62Å; H125-W127 VanDerWaalsContact C-N 3.3Å; H125-W127 PolarHBondContact O-N 3.17Å; H125-S128 PolarHBondContact O-N 2.83Å; H125-K129 PolarHBondContact O-N 3.15Å; H125-D220 VanDerWaalsContact CA-OD1 3.3Å; H125-D220 WeakPolarHBondContact CA-OD1 3.08Å; H125-D220 IonicContact CE1-OD2 2.75Å; H125-D220 IonicContact CG-OD2 3.53Å; H125-D220 IonicContact ND1-OD1 3.48Å; H125-D220 IonicContact ND1-OD2 3.87Å; H125-D220 PolarHBondContact ND1-OD2 3.41Å
126	L	97.3	Very high	95.9	Very high	40 Å²	40	60.6 Å²	60.6	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-37.7	-173.7	-74	173.8	0	0	0	111.9	R123 K129 M130 E221 D222 E224	R123-L126 HydrophobicContact CG-CD1 3.98Å; R123-L126 WeakPolarHBondContact O-CD1 3.23Å; R123-L126 WeakPolarHBondContact O-CG 3.16Å; L126-K129 PolarHBondContact O-N 2.84Å; L126-M130 WeakPolarHBondContact O-CB 3.13Å; L126-M130 PolarHBondContact O-N 2.88Å; L126-E221 PolarHBondContact N-O 3.24Å; L126-D222 WeakPolarHBondContact CD1-O 3.17Å; L126-E224 HydrophobicContact CB-CB 3.76Å
127	W	97.3	Very high	96.1	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.5	-43.2	-180	178.3	-129.5	0	0	0	112.5	H125 K129 M130 R131 I210 P217 Y219 E221 K227 L228	H125-W127 VanDerWaalsContact C-N 3.3Å; H125-W127 PolarHBondContact O-N 3.17Å; W127-K129 VanDerWaalsContact C-N 3.32Å; W127-K129 PolarHBondContact O-N 2.94Å; W127-M130 HydrophobicContact CE3-CB 4.08Å; W127-M130 HydrophobicContact CE3-CG 4.39Å; W127-M130 HydrophobicContact CZ3-CB 4.38Å; W127-M130 HydrophobicContact CZ3-CG 4.23Å; W127-M130 PolarHBondContact O-N 2.88Å; W127-R131 HydrophobicContact CD2-CG 4.16Å; W127-R131 HydrophobicContact CE3-CG 4.41Å; W127-R131 HydrophobicContact CH2-CG 3.95Å; W127-R131 HydrophobicContact CZ2-CG 3.65Å; W127-R131 HydrophobicContact CZ3-CG 4.32Å; W127-R131 PolarHBondContact O-N 3.24Å; W127-I210 HydrophobicContact CH2-CG2 4.21Å; W127-P217 PolarHBondContact NE1-O 2.83Å; W127-Y219 VanDerWaalsContact CD1-O 3.24Å; W127-E221 HydrophobicContact CB-CG 3.86Å; W127-E221 WeakPolarHBondContact CB-O 3.4Å; W127-E221 HydrophobicContact CG-CG 4.25Å; W127-E221 PolarHBondContact N-O 3.16Å; W127-K227 HydrophobicContact CD2-CB 3.65Å; W127-K227 HydrophobicContact CD2-CG 4.31Å; W127-K227 HydrophobicContact CE3-CB 3.76Å; W127-K227 HydrophobicContact CG-CB 4.16Å; W127-K227 HydrophobicContact CG-CG 4.29Å; W127-K227 HydrophobicContact CH2-CB 4.25Å; W127-K227 HydrophobicContact CZ2-CB 4.15Å; W127-K227 HydrophobicContact CZ3-CB 4.07Å; W127-L228 HydrophobicContact CZ3-CB 4.24Å; W127-L228 HydrophobicContact CZ3-CD1 4.43Å
128	S	96.7	Very high	96.2	Very high	18 Å²	18	53.5 Å²	53.5	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-40.7	175.1	-66.8	0	0	0	0	112	H125 R131 A132 D220	H125-S128 PolarHBondContact O-N 2.83Å; S128-R131 PolarHBondContact O-N 3.24Å; S128-A132 PolarHBondContact O-N 2.95Å; S128-D220 WeakPolarHBondContact CB-OD1 3.5Å; S128-D220 WeakPolarHBondContact OG-CA 3.49Å; S128-D220 VanDerWaalsContact OG-CB 3.25Å; S128-D220 WeakPolarHBondContact OG-CB 3.3Å; S128-D220 VanDerWaalsContact OG-CG 3.29Å; S128-D220 PolarHBondContact OG-OD1 3.39Å
129	K	97.5	Very high	96.5	Very high	10 Å²	10	52.4 Å²	52.4	4%	0.043	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-44.2	173.5	-173	178.9	178	-174.1	0	111.4	N75 T76 M102 L115 L117 E121 H125 L126 W127 R131 A132 I133	N75-K129 WeakPolarHBondContact OD1-CE 3.5Å; N75-K129 PolarHBondContact OD1-NZ 3.38Å; T76-K129 PolarHBondContact O-NZ 3.08Å; M102-K129 WeakPolarHBondContact O-CE 3.2Å; M102-K129 PolarHBondContact O-NZ 3.07Å; L115-K129 HydrophobicContact CD1-CG 4.08Å; L117-K129 HydrophobicContact CD1-CD 4.32Å; L117-K129 HydrophobicContact CD1-CG 4.11Å; L117-K129 HydrophobicContact CD2-CB 4.36Å; L117-K129 HydrophobicContact CD2-CG 4.15Å; E121-K129 HydrophobicContact CG-CD 4.47Å; E121-K129 WeakPolarHBondContact OE1-CE 3.25Å; E121-K129 IonicContact OE1-NZ 3.76Å; E121-K129 PolarHBondContact OE1-NZ 2.95Å; H125-K129 PolarHBondContact O-N 3.15Å; L126-K129 PolarHBondContact O-N 2.84Å; W127-K129 VanDerWaalsContact C-N 3.32Å; W127-K129 PolarHBondContact O-N 2.94Å; K129-R131 PolarHBondContact O-N 3.04Å; K129-A132 WeakPolarHBondContact O-CB 3.23Å; K129-A132 PolarHBondContact O-N 3.16Å; K129-A132 VanDerWaalsContact O-N 3.14Å; K129-I133 HydrophobicContact CG-CD1 4.01Å; K129-I133 HydrophobicContact CG-CG1 4.47Å; K129-I133 WeakPolarHBondContact O-CG1 3.47Å; K129-I133 PolarHBondContact O-N 2.71Å
130	M	97.8	Very high	96.8	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-41.2	179.1	-172.5	61.3	-175.6	0	0	112.7	Y73 L126 W127 A132 I133 L134 Y195 E224 L228	Y73-M130 HydrophobicContact CE2-CE 3.68Å; Y73-M130 HydrophobicContact CE2-SD 4.17Å; Y73-M130 WeakPolarHBondContact OH-CE 3.28Å; L126-M130 WeakPolarHBondContact O-CB 3.13Å; L126-M130 PolarHBondContact O-N 2.88Å; W127-M130 HydrophobicContact CE3-CB 4.08Å; W127-M130 HydrophobicContact CE3-CG 4.39Å; W127-M130 HydrophobicContact CZ3-CB 4.38Å; W127-M130 HydrophobicContact CZ3-CG 4.23Å; W127-M130 PolarHBondContact O-N 2.88Å; M130-A132 VanDerWaalsContact C-N 3.27Å; M130-A132 PolarHBondContact O-N 3.08Å; M130-I133 WeakPolarHBondContact O-CB 3.28Å; M130-I133 PolarHBondContact O-N 2.86Å; M130-I133 VanDerWaalsContact O-N 3.14Å; M130-I133 HydrophobicContact SD-CB 4.36Å; M130-I133 HydrophobicContact SD-CG2 4.39Å; M130-L134 HydrophobicContact CE-CD1 4.21Å; M130-L134 HydrophobicContact CE-CD2 3.63Å; M130-L134 HydrophobicContact CE-CG 3.76Å; M130-L134 HydrophobicContact CG-CD1 4.16Å; M130-L134 HydrophobicContact CG-CG 4.29Å; M130-L134 WeakPolarHBondContact O-CG 3.48Å; M130-L134 PolarHBondContact O-N 2.89Å; M130-L134 HydrophobicContact SD-CG 4.45Å; M130-Y195 HydrophobicContact CE-CE2 4.34Å; M130-Y195 WeakPolarHBondContact CE-OH 3.48Å; M130-E224 HydrophobicContact CB-CB 4.48Å; M130-E224 HydrophobicContact CB-CG 3.39Å; M130-E224 HydrophobicContact CG-CG 3.58Å; M130-E224 HydrophobicContact SD-CG 4.31Å; M130-L228 HydrophobicContact CE-CD1 4.46Å; M130-L228 HydrophobicContact CE-CD2 3.88Å
131	R	97.2	Very high	97	Very high	27 Å²	27	47.7 Å²	47.7	10%	0.102	21%	0.211	C	C	.	.	H	α-helix	trans	-58.8	-40	173.1	-70.5	-171.3	-64.4	166	-9.3	111.9	W127 S128 K129 R135 D211 T218	W127-R131 HydrophobicContact CD2-CG 4.16Å; W127-R131 HydrophobicContact CE3-CG 4.41Å; W127-R131 HydrophobicContact CH2-CG 3.95Å; W127-R131 HydrophobicContact CZ2-CG 3.65Å; W127-R131 HydrophobicContact CZ3-CG 4.32Å; W127-R131 PolarHBondContact O-N 3.24Å; S128-R131 PolarHBondContact O-N 3.24Å; K129-R131 PolarHBondContact O-N 3.04Å; R131-R135 WeakPolarHBondContact O-CG 3.35Å; R131-R135 PolarHBondContact O-N 2.8Å; R131-R135 PolarHBondContact O-NH1 2.94Å; R131-D211 IonicContact CZ-OD1 3.48Å; R131-D211 IonicContact NH1-OD1 3.54Å; R131-D211 PolarHBondContact NH1-OD1 3.43Å; R131-T218 PolarHBondContact NH1-O 2.85Å; R131-T218 PolarHBondContact NH2-O 3.27Å
132	A	97.2	Very high	97.2	Very high	20 Å²	20	50.1 Å²	50.1	17%	0.165	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-43.5	174	0	0	0	0	0	112.1	L117 S128 K129 M130 R135 Y136	L117-A132 HydrophobicContact CD2-CB 3.83Å; S128-A132 PolarHBondContact O-N 2.95Å; K129-A132 WeakPolarHBondContact O-CB 3.23Å; K129-A132 PolarHBondContact O-N 3.16Å; K129-A132 VanDerWaalsContact O-N 3.14Å; M130-A132 VanDerWaalsContact C-N 3.27Å; M130-A132 PolarHBondContact O-N 3.08Å; A132-R135 PolarHBondContact O-N 2.83Å; A132-Y136 PolarHBondContact O-N 3.11Å; A132-Y136 VanDerWaalsContact O-N 3.1Å
133	I	98.2	Very high	97.4	Very high	2 Å²	2	52 Å²	52	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-49.1	176.3	-69.1	168.7	0	0	0	111.2	Y73 M102 L115 K129 M130 R135 Y136 V137	Y73-I133 HydrophobicContact CD2-CG2 3.5Å; Y73-I133 VanDerWaalsContact CD2-CG2 3.5Å; Y73-I133 HydrophobicContact CE2-CG2 3.85Å; Y73-I133 HydrophobicContact CG-CG2 4.23Å; M102-I133 HydrophobicContact CB-CD1 3.57Å; M102-I133 HydrophobicContact CB-CG1 3.77Å; M102-I133 HydrophobicContact CE-CG2 4.39Å; M102-I133 HydrophobicContact CG-CD1 3.91Å; M102-I133 HydrophobicContact CG-CG1 3.84Å; M102-I133 HydrophobicContact CG-CG2 3.95Å; M102-I133 HydrophobicContact SD-CG1 4.32Å; M102-I133 HydrophobicContact SD-CG2 4.29Å; L115-I133 HydrophobicContact CD1-CD1 4.24Å; L115-I133 HydrophobicContact CD1-CG1 3.59Å; L115-I133 HydrophobicContact CD2-CG1 4.41Å; K129-I133 HydrophobicContact CG-CD1 4.01Å; K129-I133 HydrophobicContact CG-CG1 4.47Å; K129-I133 WeakPolarHBondContact O-CG1 3.47Å; K129-I133 PolarHBondContact O-N 2.71Å; M130-I133 WeakPolarHBondContact O-CB 3.28Å; M130-I133 PolarHBondContact O-N 2.86Å; M130-I133 VanDerWaalsContact O-N 3.14Å; M130-I133 HydrophobicContact SD-CB 4.36Å; M130-I133 HydrophobicContact SD-CG2 4.39Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.06Å; I133-Y136 WeakPolarHBondContact O-CB 3.45Å; I133-Y136 PolarHBondContact O-N 2.99Å; I133-Y136 VanDerWaalsContact O-N 3.1Å; I133-V137 HydrophobicContact CG2-CG2 4.01Å; I133-V137 WeakPolarHBondContact O-CG2 3.42Å; I133-V137 PolarHBondContact O-N 2.91Å
134	L	98.2	Very high	97.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-44	-179.1	-73.3	169.8	0	0	0	111.6	M130 Y136 V137 Y138 L197 L202 I205 V206 I210 L228	M130-L134 HydrophobicContact CE-CD1 4.21Å; M130-L134 HydrophobicContact CE-CD2 3.63Å; M130-L134 HydrophobicContact CE-CG 3.76Å; M130-L134 HydrophobicContact CG-CD1 4.16Å; M130-L134 HydrophobicContact CG-CG 4.29Å; M130-L134 WeakPolarHBondContact O-CG 3.48Å; M130-L134 PolarHBondContact O-N 2.89Å; M130-L134 HydrophobicContact SD-CG 4.45Å; L134-Y136 VanDerWaalsContact C-N 3.32Å; L134-Y136 PolarHBondContact O-N 3.23Å; L134-V137 PolarHBondContact O-N 2.82Å; L134-Y138 WeakPolarHBondContact O-CB 3.49Å; L134-Y138 PolarHBondContact O-N 3.38Å; L134-L197 HydrophobicContact CD2-CD1 4Å; L134-L202 HydrophobicContact CD2-CD1 3.75Å; L134-I205 HydrophobicContact CD1-CG2 4.01Å; L134-V206 HydrophobicContact CB-CG2 4.03Å; L134-I210 HydrophobicContact CD1-CG2 4.4Å; L134-L228 HydrophobicContact CD1-CD1 3.71Å; L134-L228 HydrophobicContact CD2-CD1 4.45Å
135	R	96.8	Very high	97.9	Very high	117 Å²	117	39.3 Å²	39.3	44%	0.442	18%	0.18	S	C	.	.	H	α-helix	trans	-62.1	-40.1	175.7	-68.3	-173.9	-157.8	103.1	-8.8	112	R131 A132 I133 I210 D211	R131-R135 WeakPolarHBondContact O-CG 3.35Å; R131-R135 PolarHBondContact O-N 2.8Å; R131-R135 PolarHBondContact O-NH1 2.94Å; A132-R135 PolarHBondContact O-N 2.83Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.06Å; R135-I210 HydrophobicContact CG-CD1 4.14Å; R135-D211 IonicContact CZ-OD2 3.62Å; R135-D211 IonicContact NE-OD2 3.36Å; R135-D211 IonicContact NH2-OD1 2.75Å; R135-D211 IonicContact NH2-OD2 2.77Å; R135-D211 PolarHBondContact NH2-OD2 3.2Å
136	Y	98.2	Very high	98	Very high	77 Å²	77	38 Å²	38	30%	0.302	17%	0.174	S	C	.	.	H	α-helix	trans	-67.3	-48.5	176.4	-173.9	-87.7	0	0	0	111.9	L100 M102 V113 A132 I133 L134 Y138 Q139 Y140	L100-Y136 HydrophobicContact CD1-CE1 3.99Å; M102-Y136 HydrophobicContact CE-CD1 4.32Å; V113-Y136 HydrophobicContact CB-CD1 4.48Å; V113-Y136 HydrophobicContact CB-CE1 4.1Å; V113-Y136 HydrophobicContact CG1-CD1 3.78Å; V113-Y136 HydrophobicContact CG1-CD2 3.61Å; V113-Y136 HydrophobicContact CG1-CE1 3.61Å; V113-Y136 HydrophobicContact CG1-CE2 3.42Å; V113-Y136 VanDerWaalsContact CG1-CE2 3.42Å; V113-Y136 HydrophobicContact CG1-CG 3.77Å; V113-Y136 VanDerWaalsContact CG1-CZ 3.41Å; V113-Y136 HydrophobicContact CG2-CD1 4.05Å; V113-Y136 HydrophobicContact CG2-CE1 3.35Å; V113-Y136 HydrophobicContact CG2-CE2 4.47Å; A132-Y136 PolarHBondContact O-N 3.11Å; A132-Y136 VanDerWaalsContact O-N 3.1Å; I133-Y136 WeakPolarHBondContact O-CB 3.45Å; I133-Y136 PolarHBondContact O-N 2.99Å; I133-Y136 VanDerWaalsContact O-N 3.1Å; L134-Y136 VanDerWaalsContact C-N 3.32Å; L134-Y136 PolarHBondContact O-N 3.23Å; Y136-Y138 VanDerWaalsContact C-N 3.27Å; Y136-Y138 PolarHBondContact O-N 3.35Å; Y136-Q139 VanDerWaalsContact CE1-NE2 3.27Å; Y136-Q139 WeakPolarHBondContact O-CG 3.45Å; Y136-Q139 PolarHBondContact O-N 3Å; Y136-Q139 PolarHBondContact O-NE2 3.31Å; Y136-Y140 HydrophobicContact CD1-CE2 4.45Å; Y136-Y140 AromaticContact CE1-CE2 3.92Å; Y136-Y140 HydrophobicContact CE1-CE2 3.92Å
137	V	98.1	Very high	98	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-67.5	-29.8	-177.1	173.5	0	0	0	0	111.7	L71 Y73 M102 I133 L134 Q139 Y140 F147 L202	L71-V137 HydrophobicContact CD2-CG1 4.09Å; L71-V137 HydrophobicContact CD2-CG2 4.49Å; Y73-V137 HydrophobicContact CD1-CG1 4.36Å; Y73-V137 HydrophobicContact CD1-CG2 4.25Å; Y73-V137 HydrophobicContact CG-CG2 4.09Å; M102-V137 HydrophobicContact CE-CG2 3.58Å; I133-V137 HydrophobicContact CG2-CG2 4.01Å; I133-V137 WeakPolarHBondContact O-CG2 3.42Å; I133-V137 PolarHBondContact O-N 2.91Å; L134-V137 PolarHBondContact O-N 2.82Å; V137-Q139 PolarHBondContact O-N 3.16Å; V137-Q139 VanDerWaalsContact O-N 3.11Å; V137-Y140 WeakPolarHBondContact O-CB 3.32Å; V137-Y140 PolarHBondContact O-N 3.39Å; V137-F147 HydrophobicContact CG1-CD1 3.25Å; V137-F147 HydrophobicContact CG1-CE1 3.59Å; V137-F147 HydrophobicContact CG1-CG 4.24Å; V137-L202 HydrophobicContact CG1-CD2 4.13Å
138	Y	98.5	Very high	98.1	Very high	47 Å²	47	36.1 Å²	36.1	18%	0.184	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-57.7	-23.3	177.2	179.3	-97.2	0	0	0	114.3	L134 Y136 Y140 R141 K203 V206 E207	L134-Y138 WeakPolarHBondContact O-CB 3.49Å; L134-Y138 PolarHBondContact O-N 3.38Å; Y136-Y138 VanDerWaalsContact C-N 3.27Å; Y136-Y138 PolarHBondContact O-N 3.35Å; Y138-Y140 PolarHBondContact O-N 3.38Å; Y138-R141 HydrophobicContact CD2-CB 4.28Å; Y138-R141 HydrophobicContact CE2-CG 4.42Å; Y138-R141 WeakPolarHBondContact O-CB 3.42Å; Y138-R141 VanDerWaalsContact O-CD 3.25Å; Y138-R141 WeakPolarHBondContact O-CD 3.05Å; Y138-R141 WeakPolarHBondContact O-CG 3.42Å; Y138-R141 PolarHBondContact O-N 3.48Å; Y138-R141 VanDerWaalsContact O-N 3.11Å; Y138-R141 PolarHBondContact O-NH1 3.07Å; Y138-R141 VanDerWaalsContact O-NH1 3.11Å; Y138-R141 WeakPolarHBondContact OH-CD 3.09Å; Y138-R141 PolarHBondContact OH-NE 3.47Å; Y138-R141 VanDerWaalsContact OH-NE 3.07Å; Y138-K203 HydrophobicContact CE2-CG 4.32Å; Y138-V206 HydrophobicContact CD1-CG1 4.03Å; Y138-V206 HydrophobicContact CD2-CB 3.57Å; Y138-V206 HydrophobicContact CD2-CG1 3.58Å; Y138-V206 HydrophobicContact CD2-CG2 3.96Å; Y138-V206 HydrophobicContact CE1-CG1 4.41Å; Y138-V206 HydrophobicContact CE2-CB 3.99Å; Y138-V206 HydrophobicContact CE2-CG1 3.98Å; Y138-V206 HydrophobicContact CG-CB 4.08Å; Y138-V206 HydrophobicContact CG-CG1 3.61Å; Y138-V206 HydrophobicContact CG-CG2 4.3Å; Y138-E207 HydrophobicContact CE2-CG 3.78Å; Y138-E207 WeakPolarHBondContact CE2-OE1 3.41Å; Y138-E207 VanDerWaalsContact CZ-OE1 3.28Å; Y138-E207 VanDerWaalsContact OH-CG 3.28Å; Y138-E207 WeakPolarHBondContact OH-CG 3.26Å; Y138-E207 PolarHBondContact OH-OE1 2.56Å
139	Q	98.4	Very high	98.2	Very high	97 Å²	97	35.5 Å²	35.5	45%	0.453	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-60.6	-29.1	172.3	80.4	-166.6	-59	0	0	112.2	Y136 V137	Y136-Q139 VanDerWaalsContact CE1-NE2 3.27Å; Y136-Q139 WeakPolarHBondContact O-CG 3.45Å; Y136-Q139 PolarHBondContact O-N 3Å; Y136-Q139 PolarHBondContact O-NE2 3.31Å; V137-Q139 PolarHBondContact O-N 3.16Å; V137-Q139 VanDerWaalsContact O-N 3.11Å
140	Y	98.4	Very high	98.3	Very high	42 Å²	42	35 Å²	35	17%	0.165	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-90.4	5.5	179	-58.9	-71.3	0	0	0	113.7	L71 K98 L100 Y136 V137 Y138 N142 D143 Y144	L71-Y140 HydrophobicContact CD1-CD1 4.42Å; L71-Y140 HydrophobicContact CD1-CD2 3.6Å; L71-Y140 HydrophobicContact CD1-CE2 4.34Å; L71-Y140 HydrophobicContact CD1-CG 3.65Å; K98-Y140 HydrophobicContact CD-CE1 4.48Å; L100-Y140 HydrophobicContact CD1-CD2 4.49Å; L100-Y140 HydrophobicContact CD1-CE2 3.87Å; Y136-Y140 HydrophobicContact CD1-CE2 4.45Å; Y136-Y140 AromaticContact CE1-CE2 3.92Å; Y136-Y140 HydrophobicContact CE1-CE2 3.92Å; V137-Y140 WeakPolarHBondContact O-CB 3.32Å; V137-Y140 PolarHBondContact O-N 3.39Å; Y138-Y140 PolarHBondContact O-N 3.38Å; Y140-N142 PolarHBondContact O-N 3.45Å; Y140-D143 PolarHBondContact O-N 3.1Å; Y140-Y144 HydrophobicContact CD1-CE2 4.12Å; Y140-Y144 HydrophobicContact CG-CE2 4.26Å
141	R	98.3	Very high	98.3	Very high	66 Å²	66	36.2 Å²	36.2	25%	0.249	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-18.3	-172.1	72.3	-165.9	178.6	-72.9	1.7	115.6	Y138 Q199 L202 K203	Y138-R141 HydrophobicContact CD2-CB 4.28Å; Y138-R141 HydrophobicContact CE2-CG 4.42Å; Y138-R141 WeakPolarHBondContact O-CB 3.42Å; Y138-R141 VanDerWaalsContact O-CD 3.25Å; Y138-R141 WeakPolarHBondContact O-CD 3.05Å; Y138-R141 WeakPolarHBondContact O-CG 3.42Å; Y138-R141 PolarHBondContact O-N 3.48Å; Y138-R141 VanDerWaalsContact O-N 3.11Å; Y138-R141 PolarHBondContact O-NH1 3.07Å; Y138-R141 VanDerWaalsContact O-NH1 3.11Å; Y138-R141 WeakPolarHBondContact OH-CD 3.09Å; Y138-R141 PolarHBondContact OH-NE 3.47Å; Y138-R141 VanDerWaalsContact OH-NE 3.07Å; R141-Q199 WeakPolarHBondContact O-CG 3.47Å; R141-Q199 PolarHBondContact O-NE2 2.84Å; R141-L202 HydrophobicContact CB-CD2 4.34Å; R141-K203 HydrophobicContact CB-CG 4.3Å; R141-K203 HydrophobicContact CG-CG 4.49Å
142	N	98.3	Very high	98.3	Very high	86 Å²	86	35.5 Å²	35.5	46%	0.46	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-11.8	179.5	-65.3	-38	0	0	0	112.5	Y140 K203	Y140-N142 PolarHBondContact O-N 3.45Å; N142-K203 WeakPolarHBondContact OD1-CE 2.81Å; N142-K203 PolarHBondContact OD1-NZ 2.94Å
143	D	98.3	Very high	98.3	Very high	83 Å²	83	35.3 Å²	35.3	44%	0.444	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-15.7	-173.9	-55.2	-32.3	0	0	0	112.8	R69 Y140	R69-D143 PolarHBondContact NH1-O 3.11Å; Y140-D143 PolarHBondContact O-N 3.1Å
144	Y	98.8	Very high	98.4	Very high	33 Å²	33	35.2 Å²	35.2	13%	0.129	16%	0.158	C	C	.	.			trans	-133.1	152.7	-177.2	-58.7	-87.1	0	0	0	111.2	R69 L71 T97 K98 Y140 F147 Q199	R69-Y144 HydrophobicContact CB-CD1 4Å; L71-Y144 HydrophobicContact CB-CD1 3.92Å; L71-Y144 HydrophobicContact CB-CD2 3.87Å; L71-Y144 HydrophobicContact CB-CE1 4.31Å; L71-Y144 HydrophobicContact CB-CE2 4.27Å; L71-Y144 HydrophobicContact CB-CG 3.7Å; L71-Y144 HydrophobicContact CD1-CD2 3.82Å; L71-Y144 HydrophobicContact CD1-CE2 3.72Å; L71-Y144 HydrophobicContact CG-CD2 4.45Å; L71-Y144 HydrophobicContact CG-CE2 4.48Å; T97-Y144 HydrophobicContact CG2-CD1 4.34Å; T97-Y144 HydrophobicContact CG2-CE1 3.88Å; K98-Y144 HydrophobicContact CB-CE1 3.73Å; K98-Y144 VanDerWaalsContact CB-OH 3.22Å; K98-Y144 WeakPolarHBondContact CB-OH 3.4Å; K98-Y144 HydrophobicContact CD-CE2 4.19Å; K98-Y144 WeakPolarHBondContact CD-OH 3.15Å; Y140-Y144 HydrophobicContact CD1-CE2 4.12Å; Y140-Y144 HydrophobicContact CG-CE2 4.26Å; Y144-F147 HydrophobicContact CD2-CE1 4.46Å; Y144-Q199 PolarHBondContact O-NE2 3.4Å
145	D	98.7	Very high	98.3	Very high	23 Å²	23	35.3 Å²	35.3	12%	0.123	16%	0.158	C	C	.	.	S	Bend	trans	-88.8	-33	-177.2	-50	-47.4	0	0	0	110.4	R69 P170 Q199	R69-D145 VanDerWaalsContact CB-OD2 3.3Å; R69-D145 WeakPolarHBondContact CB-OD2 3.48Å; R69-D145 IonicContact CZ-OD1 3.58Å; R69-D145 PolarHBondContact N-OD2 3.43Å; R69-D145 IonicContact NE-OD1 3.52Å; R69-D145 IonicContact NE-OD2 2.63Å; R69-D145 PolarHBondContact NE-OD2 3.09Å; R69-D145 IonicContact NH2-OD1 3.82Å; R69-D145 PolarHBondContact NH2-OD1 3.32Å; R69-D145 IonicContact NH2-OD2 3.63Å; R69-D145 PolarHBondContact O-N 3.25Å; D145-P170 HydrophobicContact CB-CB 3.85Å; D145-P170 HydrophobicContact CB-CG 4.04Å; D145-P170 WeakPolarHBondContact O-CB 3.46Å; D145-Q199 WeakPolarHBondContact O-CB 2.91Å; D145-Q199 PolarHBondContact O-N 2.91Å
146	Y	98.9	Very high	98.4	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.02	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.6	-177.4	-60	-74.9	0	0	0	112.3	I68 R69 I70 L71 L165 H168 P170 F174 V196	I68-Y146 HydrophobicContact CG2-CD2 3.6Å; I68-Y146 HydrophobicContact CG2-CE2 3.75Å; R69-Y146 PolarHBondContact O-N 3.16Å; I70-Y146 WeakPolarHBondContact CA-O 3.32Å; L71-Y146 PolarHBondContact N-O 3.38Å; Y146-L165 HydrophobicContact CD1-CD1 4.25Å; Y146-L165 HydrophobicContact CD1-CD2 3.77Å; Y146-L165 HydrophobicContact CD2-CB 4.26Å; Y146-L165 HydrophobicContact CD2-CD1 3.76Å; Y146-L165 HydrophobicContact CD2-CD2 4.4Å; Y146-L165 HydrophobicContact CD2-CG 4.38Å; Y146-L165 HydrophobicContact CE1-CD2 3.72Å; Y146-L165 HydrophobicContact CE2-CB 3.88Å; Y146-L165 HydrophobicContact CE2-CD1 4.22Å; Y146-L165 HydrophobicContact CE2-CD2 4.3Å; Y146-L165 HydrophobicContact CE2-CG 4.37Å; Y146-L165 HydrophobicContact CG-CD1 3.76Å; Y146-L165 HydrophobicContact CG-CD2 4.14Å; Y146-L165 HydrophobicContact CG-CG 4.45Å; Y146-L165 PolarHBondContact OH-O 3.19Å; Y146-H168 PolarHBondContact OH-O 3.38Å; Y146-P170 HydrophobicContact CE1-CB 4.05Å; Y146-P170 HydrophobicContact CE2-CB 4.3Å; Y146-F174 HydrophobicContact CD1-CZ 4.44Å; Y146-F174 HydrophobicContact CE1-CE1 4.18Å; Y146-F174 HydrophobicContact CE1-CE2 4.43Å; Y146-F174 AromaticContact CE1-CZ 3.58Å; Y146-F174 HydrophobicContact CE1-CZ 3.58Å; Y146-V196 HydrophobicContact CD1-CG1 4.11Å; Y146-V196 HydrophobicContact CG-CG1 4.32Å
147	F	98.9	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	108.4	-178.7	-63.4	-91	0	0	0	109.8	L71 Y73 V137 Y144 V196 L197 Q199 L202	L71-F147 HydrophobicContact CB-CD1 3.9Å; L71-F147 HydrophobicContact CB-CE1 4.03Å; L71-F147 HydrophobicContact CD1-CE1 4.18Å; L71-F147 HydrophobicContact CD2-CD1 4.27Å; L71-F147 HydrophobicContact CG-CD1 4.45Å; L71-F147 CarbonylContact O-C 3.58Å; L71-F147 WeakPolarHBondContact O-CA 3.39Å; Y73-F147 HydrophobicContact CE1-CB 3.93Å; V137-F147 HydrophobicContact CG1-CD1 3.25Å; V137-F147 HydrophobicContact CG1-CE1 3.59Å; V137-F147 HydrophobicContact CG1-CG 4.24Å; Y144-F147 HydrophobicContact CD2-CE1 4.46Å; F147-V196 WeakPolarHBondContact O-CA 3.3Å; F147-L197 HydrophobicContact CB-CB 4.34Å; F147-L197 PolarHBondContact N-O 2.99Å; F147-L197 PolarHBondContact O-N 3.25Å; F147-Q199 HydrophobicContact CE2-CG 4.45Å; F147-L202 HydrophobicContact CD1-CD2 3.79Å; F147-L202 HydrophobicContact CD2-CB 4.15Å; F147-L202 HydrophobicContact CD2-CD2 3.57Å; F147-L202 HydrophobicContact CD2-CG 4.49Å; F147-L202 HydrophobicContact CE1-CD2 3.74Å; F147-L202 HydrophobicContact CE2-CD2 3.55Å; F147-L202 HydrophobicContact CG-CD2 3.72Å; F147-L202 HydrophobicContact CZ-CD2 3.64Å
148	L	98.9	Very high	98.4	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.8	-179.1	171.9	67.6	0	0	0	110.4	I70 L71 C72 Y73 W92 V156 M158 L161 V196	I70-L148 HydrophobicContact CG2-CB 3.95Å; L71-L148 PolarHBondContact O-N 3.5Å; C72-L148 CarbonylContact C-O 3.49Å; C72-L148 WeakPolarHBondContact CA-O 3.23Å; Y73-L148 VanDerWaalsContact CD1-O 3.26Å; Y73-L148 WeakPolarHBondContact CD1-O 3.21Å; Y73-L148 PolarHBondContact N-O 3.18Å; W92-L148 HydrophobicContact CZ3-CD2 4.15Å; L148-V156 HydrophobicContact CD2-CB 4.48Å; L148-V156 HydrophobicContact CD2-CG1 3.98Å; L148-V156 HydrophobicContact CD2-CG2 4.26Å; L148-M158 HydrophobicContact CD2-CE 4.32Å; L148-M158 HydrophobicContact CD2-SD 3.72Å; L148-L161 HydrophobicContact CD1-CD2 4.25Å; L148-L161 HydrophobicContact CD2-CD2 3.9Å; L148-L161 HydrophobicContact CG-CD2 4.48Å; L148-V196 HydrophobicContact CB-CG2 4.16Å; L148-V196 HydrophobicContact CD1-CG2 3.55Å; L148-V196 HydrophobicContact CG-CG2 4.43Å
149	K	98.8	Very high	98.3	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.022	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.3	164.6	-169	-95.4	-160.5	-174.7	0	109.8	Y73 D151 G191 G194 Y195 E224	Y73-K149 HydrophobicContact CD2-CB 4.27Å; Y73-K149 HydrophobicContact CD2-CG 4.13Å; Y73-K149 HydrophobicContact CE1-CB 4.25Å; Y73-K149 HydrophobicContact CE2-CB 3.5Å; Y73-K149 HydrophobicContact CE2-CG 3.49Å; Y73-K149 VanDerWaalsContact CE2-CG 3.49Å; K149-D151 IonicContact NZ-OD1 3.54Å; K149-D151 PolarHBondContact NZ-OD1 3.27Å; K149-D151 IonicContact NZ-OD2 3.99Å; K149-D151 PolarHBondContact NZ-OD2 2.86Å; K149-G191 PolarHBondContact NZ-O 2.95Å; K149-G194 WeakPolarHBondContact O-CA 3.37Å; K149-Y195 HydrophobicContact CB-CD2 3.91Å; K149-Y195 HydrophobicContact CB-CE1 4.21Å; K149-Y195 HydrophobicContact CB-CE2 3.39Å; K149-Y195 HydrophobicContact CB-CG 4.44Å; K149-Y195 HydrophobicContact CD-CD1 4.45Å; K149-Y195 HydrophobicContact CD-CE1 3.79Å; K149-Y195 HydrophobicContact CD-CE2 4.47Å; K149-Y195 HydrophobicContact CG-CE1 4.18Å; K149-Y195 HydrophobicContact CG-CE2 4Å; K149-Y195 WeakPolarHBondContact CG-OH 3.34Å; K149-Y195 PolarHBondContact N-O 3.3Å; K149-Y195 PolarHBondContact O-N 3.47Å; K149-E224 VanDerWaalsContact CE-OE2 3.31Å; K149-E224 WeakPolarHBondContact CE-OE2 3.22Å; K149-E224 IonicContact NZ-OE2 2.61Å; K149-E224 PolarHBondContact NZ-OE2 3.35Å
150	A	98.6	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.5	169.1	0	0	0	0	0	110.4	Y73 I74 N75 W92 T154	Y73-A150 PolarHBondContact O-N 3.26Å; I74-A150 CarbonylContact C-O 3.49Å; I74-A150 WeakPolarHBondContact CA-O 3.4Å; N75-A150 PolarHBondContact N-O 3.21Å; W92-A150 HydrophobicContact CH2-CB 3.6Å; W92-A150 HydrophobicContact CZ2-CB 3.79Å; A150-T154 HydrophobicContact CB-CG2 4.38Å
151	D	98.2	Very high	98	Very high	28 Å²	28	22.1 Å²	22.1	15%	0.15	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	167.8	168.5	-70	-19.4	0	0	0	110.1	N75 K149 D153 T154 G192	N75-D151 PolarHBondContact ND2-OD1 2.85Å; K149-D151 IonicContact NZ-OD1 3.54Å; K149-D151 PolarHBondContact NZ-OD1 3.27Å; K149-D151 IonicContact NZ-OD2 3.99Å; K149-D151 PolarHBondContact NZ-OD2 2.86Å; D151-D153 PolarHBondContact O-N 2.9Å; D151-T154 PolarHBondContact N-OG1 2.76Å; D151-T154 PolarHBondContact O-N 2.96Å; D151-T154 VanDerWaalsContact O-N 3.14Å; D151-T154 PolarHBondContact O-OG1 2.95Å; D151-G192 WeakPolarHBondContact OD2-CA 3.44Å
152	D	98	Very high	98	Very high	13 Å²	13	19.1 Å²	19.1	7%	0.07	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-3.4	-177.9	61.1	13.7	0	0	0	114.8	I74 N75 T76 T80 K84 A85 V88	I74-D152 HydrophobicContact CG2-CB 4.47Å; N75-D152 PolarHBondContact O-N 3.22Å; T76-D152 WeakPolarHBondContact CB-OD2 3.16Å; T76-D152 PolarHBondContact OG1-OD2 2.67Å; T80-D152 VanDerWaalsContact CB-OD2 3.23Å; T80-D152 WeakPolarHBondContact CB-OD2 3.45Å; T80-D152 PolarHBondContact OG1-OD2 3.13Å; K84-D152 HydrophobicContact CB-CB 3.86Å; K84-D152 WeakPolarHBondContact CB-O 3.49Å; K84-D152 WeakPolarHBondContact CD-OD1 3.27Å; K84-D152 IonicContact NZ-OD1 2.65Å; A85-D152 HydrophobicContact CB-CB 4.18Å; V88-D152 WeakPolarHBondContact CG2-O 3.06Å
153	D	97.8	Very high	97.8	Very high	16 Å²	16	17.4 Å²	17.4	9%	0.086	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	20.8	169.6	55.3	12.3	0	0	0	113.2	K84 D151 H313 Y314 I315	K84-D153 HydrophobicContact CD-CB 4.24Å; K84-D153 IonicContact NZ-OD2 3.67Å; K84-D153 PolarHBondContact NZ-OD2 3.46Å; D151-D153 PolarHBondContact O-N 2.9Å; D153-H313 IonicContact OD1-CD2 3.78Å; D153-H313 IonicContact OD1-NE2 2.89Å; D153-Y314 PolarHBondContact O-N 3.4Å; D153-Y314 VanDerWaalsContact O-N 3.16Å; D153-I315 PolarHBondContact O-N 2.77Å
154	T	98.4	Very high	97.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.			trans	-96.1	133.7	168.3	-45.3	0	0	0	0	110.4	W92 A150 D151 V156 G192 L312	W92-T154 PolarHBondContact NE1-O 2.93Å; A150-T154 HydrophobicContact CB-CG2 4.38Å; D151-T154 PolarHBondContact N-OG1 2.76Å; D151-T154 PolarHBondContact O-N 2.96Å; D151-T154 VanDerWaalsContact O-N 3.14Å; D151-T154 PolarHBondContact O-OG1 2.95Å; T154-V156 HydrophobicContact CG2-CG2 3.99Å; T154-G192 PolarHBondContact OG1-O 2.78Å; T154-L312 CarbonylContact C-O 3.48Å; T154-L312 VanDerWaalsContact CA-O 3.23Å; T154-L312 WeakPolarHBondContact CA-O 3.44Å; T154-L312 WeakPolarHBondContact CG2-O 3.49Å
155	F	98.1	Very high	97.4	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.7	166.3	-168.8	-82	0	0	0	109.7	W92 I157 S311 L312 I315 M320 L323 L327 Y328	W92-F155 HydrophobicContact CB-CD2 4.49Å; W92-F155 HydrophobicContact CB-CE1 4.44Å; W92-F155 HydrophobicContact CB-CE2 4.21Å; W92-F155 HydrophobicContact CB-CZ 4.18Å; W92-F155 AromaticContact CD1-CD2 3.67Å; W92-F155 AromaticContact CD1-CG 3.97Å; W92-F155 HydrophobicContact CG-CD2 4.41Å; F155-I157 HydrophobicContact CD1-CG1 4.39Å; F155-I157 HydrophobicContact CE1-CG1 4.1Å; F155-S311 CarbonylContact O-C 3.49Å; F155-S311 WeakPolarHBondContact O-CA 3.41Å; F155-L312 HydrophobicContact CB-CB 4.48Å; F155-L312 PolarHBondContact N-O 3.48Å; F155-L312 PolarHBondContact O-N 3.15Å; F155-I315 HydrophobicContact CB-CB 4.49Å; F155-I315 HydrophobicContact CB-CG1 4.01Å; F155-I315 HydrophobicContact CB-CG2 4.43Å; F155-M320 HydrophobicContact CB-SD 3.98Å; F155-M320 HydrophobicContact CD2-SD 3.71Å; F155-M320 HydrophobicContact CG-SD 4.35Å; F155-L323 HydrophobicContact CB-CD1 4.1Å; F155-L323 HydrophobicContact CD1-CD1 4.2Å; F155-L323 HydrophobicContact CD2-CB 4.16Å; F155-L323 HydrophobicContact CD2-CD1 4.08Å; F155-L323 HydrophobicContact CE1-CB 4.24Å; F155-L323 HydrophobicContact CE2-CB 3.85Å; F155-L323 HydrophobicContact CG-CB 4.49Å; F155-L323 HydrophobicContact CG-CD1 3.87Å; F155-L323 HydrophobicContact CZ-CB 3.89Å; F155-L327 HydrophobicContact CE1-CD1 3.8Å; F155-L327 HydrophobicContact CZ-CD1 4.16Å; F155-Y328 HydrophobicContact CZ-CE2 4.33Å
156	V	98.6	Very high	97.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.9	-178.2	-172.8	0	0	0	0	111.4	W92 L148 T154 M158 L161 I310	W92-V156 VanDerWaalsContact CB-O 3.24Å; W92-V156 WeakPolarHBondContact CB-O 3.4Å; W92-V156 HydrophobicContact CD2-CB 3.95Å; W92-V156 HydrophobicContact CD2-CG2 4.23Å; W92-V156 HydrophobicContact CE3-CB 3.71Å; W92-V156 HydrophobicContact CE3-CG2 4.11Å; W92-V156 HydrophobicContact CH2-CB 4.4Å; W92-V156 HydrophobicContact CH2-CG2 3.89Å; W92-V156 HydrophobicContact CZ2-CG2 3.99Å; W92-V156 HydrophobicContact CZ3-CB 3.95Å; W92-V156 HydrophobicContact CZ3-CG2 3.94Å; L148-V156 HydrophobicContact CD2-CB 4.48Å; L148-V156 HydrophobicContact CD2-CG1 3.98Å; L148-V156 HydrophobicContact CD2-CG2 4.26Å; T154-V156 HydrophobicContact CG2-CG2 3.99Å; V156-M158 HydrophobicContact CB-SD 4.23Å; V156-M158 HydrophobicContact CG1-CG 4.44Å; V156-M158 HydrophobicContact CG1-SD 3.65Å; V156-M158 PolarHBondContact O-N 3.28Å; V156-L161 HydrophobicContact CG1-CD2 4.48Å; V156-I310 CarbonylContact C-O 3.59Å; V156-I310 VanDerWaalsContact CA-O 3.31Å; V156-I310 WeakPolarHBondContact CA-O 3.09Å; V156-I310 HydrophobicContact CG1-CG2 4.25Å; V156-I310 WeakPolarHBondContact CG1-O 3.48Å
157	I	97.5	Very high	96.9	Very high	21 Å²	21	24.8 Å²	24.8	11%	0.108	13%	0.125	C	C	.	.			trans	-87.8	91.4	171.9	-56.8	168.3	0	0	0	107.4	F155 E159 N160 L161 L309 I310 L327	F155-I157 HydrophobicContact CD1-CG1 4.39Å; F155-I157 HydrophobicContact CE1-CG1 4.1Å; I157-E159 PolarHBondContact O-N 2.82Å; I157-N160 HydrophobicContact CB-CB 4.32Å; I157-N160 HydrophobicContact CG2-CB 3.98Å; I157-N160 PolarHBondContact O-N 2.87Å; I157-L161 PolarHBondContact O-N 3.2Å; I157-L161 VanDerWaalsContact O-N 3.1Å; I157-L309 HydrophobicContact CD1-CB 4.43Å; I157-L309 WeakPolarHBondContact CD1-O 3.2Å; I157-I310 PolarHBondContact N-O 3.26Å; I157-L327 HydrophobicContact CD1-CD1 4.13Å; I157-L327 HydrophobicContact CG1-CD1 4.06Å
158	M	98.2	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.5	-24.2	-171.3	-69.5	-60.3	-57.2	0	0	113.5	I70 W92 R95 L148 V156 L161 R162	I70-M158 HydrophobicContact CB-CE 4.14Å; I70-M158 HydrophobicContact CD1-CE 3.77Å; I70-M158 HydrophobicContact CG1-CE 4.5Å; I70-M158 HydrophobicContact CG2-CE 4.07Å; W92-M158 HydrophobicContact CE3-CG 4.33Å; W92-M158 HydrophobicContact CE3-SD 4.26Å; W92-M158 HydrophobicContact CZ3-SD 4.28Å; R95-M158 HydrophobicContact CB-CB 3.77Å; R95-M158 HydrophobicContact CB-CG 3.8Å; L148-M158 HydrophobicContact CD2-CE 4.32Å; L148-M158 HydrophobicContact CD2-SD 3.72Å; V156-M158 HydrophobicContact CB-SD 4.23Å; V156-M158 HydrophobicContact CG1-CG 4.44Å; V156-M158 HydrophobicContact CG1-SD 3.65Å; V156-M158 PolarHBondContact O-N 3.28Å; M158-L161 HydrophobicContact CE-CD2 3.99Å; M158-L161 HydrophobicContact SD-CD2 4.14Å; M158-R162 WeakPolarHBondContact O-CG 3.36Å; M158-R162 PolarHBondContact O-N 3.36Å; M158-R162 VanDerWaalsContact O-N 3.09Å; M158-R162 PolarHBondContact O-NH1 3.26Å
159	E	95.8	Very high	96.7	Very high	49 Å²	49	30.6 Å²	30.6	23%	0.229	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-50.5	173.8	-64.3	82.2	178.6	0	0	110.9	A61 R95 I157 L161 R162 S163 Y328	A61-E159 HydrophobicContact CB-CB 4.49Å; A61-E159 HydrophobicContact CB-CG 3.93Å; R95-E159 VanDerWaalsContact CD-OE1 3.25Å; R95-E159 WeakPolarHBondContact CD-OE1 3.25Å; R95-E159 IonicContact NE-OE1 2.76Å; R95-E159 PolarHBondContact NE-OE1 2.94Å; I157-E159 PolarHBondContact O-N 2.82Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 2.96Å; E159-R162 PolarHBondContact O-N 2.5Å; E159-R162 VanDerWaalsContact O-N 3.16Å; E159-S163 PolarHBondContact O-N 3.23Å; E159-Y328 WeakPolarHBondContact OE1-CE1 3.47Å; E159-Y328 PolarHBondContact OE2-OH 3.02Å
160	N	94.2	Very high	96.7	Very high	35 Å²	35	31.4 Å²	31.4	19%	0.187	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-39.7	177.1	-69.2	-0.3	0	0	0	111.1	I157 R162 S163 V164 L309 I310	I157-N160 HydrophobicContact CB-CB 4.32Å; I157-N160 HydrophobicContact CG2-CB 3.98Å; I157-N160 PolarHBondContact O-N 2.87Å; N160-R162 VanDerWaalsContact C-N 3.34Å; N160-R162 PolarHBondContact O-N 3.35Å; N160-S163 WeakPolarHBondContact O-CB 3.21Å; N160-S163 PolarHBondContact O-N 3.37Å; N160-V164 PolarHBondContact O-N 3.44Å; N160-L309 WeakPolarHBondContact CB-O 3.41Å; N160-L309 PolarHBondContact ND2-O 2.96Å; N160-I310 HydrophobicContact CB-CG1 4.11Å
161	L	97.4	Very high	96.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-45.6	174.4	178.5	56.6	0	0	0	111.9	I70 L148 V156 I157 M158 E159 S163 V164 L165 I176 V196 F263 I310	I70-L161 HydrophobicContact CD1-CD2 4.06Å; I70-L161 HydrophobicContact CD1-CG 4.25Å; L148-L161 HydrophobicContact CD1-CD2 4.25Å; L148-L161 HydrophobicContact CD2-CD2 3.9Å; L148-L161 HydrophobicContact CG-CD2 4.48Å; V156-L161 HydrophobicContact CG1-CD2 4.48Å; I157-L161 PolarHBondContact O-N 3.2Å; I157-L161 VanDerWaalsContact O-N 3.1Å; M158-L161 HydrophobicContact CE-CD2 3.99Å; M158-L161 HydrophobicContact SD-CD2 4.14Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 2.96Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.35Å; L161-V164 PolarHBondContact O-N 3.38Å; L161-L165 HydrophobicContact CD1-CD1 3.8Å; L161-L165 HydrophobicContact CD1-CG 4Å; L161-L165 HydrophobicContact CD2-CD1 4.4Å; L161-L165 HydrophobicContact CG-CD1 3.77Å; L161-L165 HydrophobicContact CG-CG 4.36Å; L161-L165 WeakPolarHBondContact O-CB 3.1Å; L161-L165 VanDerWaalsContact O-CG 3.28Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3.48Å; L161-I176 HydrophobicContact CD1-CD1 3.9Å; L161-V196 HydrophobicContact CD1-CG2 3.83Å; L161-V196 HydrophobicContact CD2-CG2 4.02Å; L161-F263 HydrophobicContact CD1-CZ 4.21Å; L161-I310 HydrophobicContact CB-CG2 3.94Å; L161-I310 HydrophobicContact CD1-CD1 4.21Å; L161-I310 HydrophobicContact CD1-CG2 4.07Å; L161-I310 HydrophobicContact CG-CG2 4.45Å
162	R	97.5	Very high	96.7	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.011	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-36	178.6	-75.5	-175.5	-176.5	95.3	-2.2	112.6	L64 I68 I70 R95 M158 E159 N160 V164 L165 H166	L64-R162 HydrophobicContact CB-CB 4.01Å; L64-R162 HydrophobicContact CD1-CB 4.44Å; I68-R162 HydrophobicContact CB-CG 4.26Å; I68-R162 HydrophobicContact CD1-CB 4.22Å; I68-R162 VanDerWaalsContact CD1-O 3.31Å; I68-R162 WeakPolarHBondContact CD1-O 3.21Å; I68-R162 HydrophobicContact CG2-CG 4.31Å; I68-R162 PolarHBondContact O-NE 3.14Å; I70-R162 HydrophobicContact CD1-CG 3.76Å; R95-R162 PolarHBondContact O-NH1 3.22Å; R95-R162 PolarHBondContact O-NH2 3.1Å; M158-R162 WeakPolarHBondContact O-CG 3.36Å; M158-R162 PolarHBondContact O-N 3.36Å; M158-R162 VanDerWaalsContact O-N 3.09Å; M158-R162 PolarHBondContact O-NH1 3.26Å; E159-R162 PolarHBondContact O-N 2.5Å; E159-R162 VanDerWaalsContact O-N 3.16Å; N160-R162 VanDerWaalsContact C-N 3.34Å; N160-R162 PolarHBondContact O-N 3.35Å; R162-V164 VanDerWaalsContact C-N 3.32Å; R162-V164 PolarHBondContact O-N 3.14Å; R162-L165 PolarHBondContact O-N 2.84Å; R162-H166 WeakPolarHBondContact O-CB 3.38Å; R162-H166 PolarHBondContact O-N 3.48Å
163	S	93.9	Very high	96.8	Very high	49 Å²	49	39.6 Å²	39.6	34%	0.343	20%	0.2	S	C	.	.	H	α-helix	trans	-57.3	-46.6	175.4	-177.9	0	0	0	0	111.2	E159 N160 L161 H166	E159-S163 PolarHBondContact O-N 3.23Å; N160-S163 WeakPolarHBondContact O-CB 3.21Å; N160-S163 PolarHBondContact O-N 3.37Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.35Å; S163-H166 WeakPolarHBondContact O-CB 3.4Å; S163-H166 PolarHBondContact O-N 3.47Å
164	V	93.1	Very high	96.8	Very high	20 Å²	20	38.9 Å²	38.9	12%	0.121	20%	0.197	C	C	.	.	H	α-helix	trans	-66.3	-44.5	175.4	173.8	0	0	0	0	112	N160 L161 R162 H166 Q167 H168 M242 L262 I310	N160-V164 PolarHBondContact O-N 3.44Å; L161-V164 PolarHBondContact O-N 3.38Å; R162-V164 VanDerWaalsContact C-N 3.32Å; R162-V164 PolarHBondContact O-N 3.14Å; V164-H166 PolarHBondContact O-N 2.82Å; V164-Q167 PolarHBondContact O-N 3.06Å; V164-H168 PolarHBondContact O-CE1 3.4Å; V164-H168 PolarHBondContact O-ND1 2.98Å; V164-M242 HydrophobicContact CG1-CE 4.08Å; V164-M242 HydrophobicContact CG1-CG 4.13Å; V164-M242 HydrophobicContact CG1-SD 4.01Å; V164-L262 HydrophobicContact CG2-CD1 3.66Å; V164-I310 HydrophobicContact CB-CD1 4.25Å; V164-I310 HydrophobicContact CG2-CD1 3.88Å
165	L	96.6	Very high	96.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-68.8	-20.8	-178.9	-69.7	175.3	0	0	0	113.7	I68 I70 Y146 L161 R162 Q167 H168 F174 I176 V196	I68-L165 HydrophobicContact CD1-CB 4.47Å; I68-L165 HydrophobicContact CG2-CB 4.46Å; I70-L165 HydrophobicContact CD1-CD1 3.68Å; I70-L165 HydrophobicContact CG1-CD1 4.44Å; Y146-L165 HydrophobicContact CD1-CD1 4.25Å; Y146-L165 HydrophobicContact CD1-CD2 3.77Å; Y146-L165 HydrophobicContact CD2-CB 4.26Å; Y146-L165 HydrophobicContact CD2-CD1 3.76Å; Y146-L165 HydrophobicContact CD2-CD2 4.4Å; Y146-L165 HydrophobicContact CD2-CG 4.38Å; Y146-L165 HydrophobicContact CE1-CD2 3.72Å; Y146-L165 HydrophobicContact CE2-CB 3.88Å; Y146-L165 HydrophobicContact CE2-CD1 4.22Å; Y146-L165 HydrophobicContact CE2-CD2 4.3Å; Y146-L165 HydrophobicContact CE2-CG 4.37Å; Y146-L165 HydrophobicContact CG-CD1 3.76Å; Y146-L165 HydrophobicContact CG-CD2 4.14Å; Y146-L165 HydrophobicContact CG-CG 4.45Å; Y146-L165 PolarHBondContact OH-O 3.19Å; L161-L165 HydrophobicContact CD1-CD1 3.8Å; L161-L165 HydrophobicContact CD1-CG 4Å; L161-L165 HydrophobicContact CD2-CD1 4.4Å; L161-L165 HydrophobicContact CG-CD1 3.77Å; L161-L165 HydrophobicContact CG-CG 4.36Å; L161-L165 WeakPolarHBondContact O-CB 3.1Å; L161-L165 VanDerWaalsContact O-CG 3.28Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3.48Å; R162-L165 PolarHBondContact O-N 2.84Å; L165-Q167 PolarHBondContact O-N 2.75Å; L165-H168 PolarHBondContact O-N 2.91Å; L165-H168 VanDerWaalsContact O-N 3.1Å; L165-F174 HydrophobicContact CD2-CE2 4.35Å; L165-F174 HydrophobicContact CD2-CZ 4.38Å; L165-I176 HydrophobicContact CD2-CD1 3.58Å; L165-I176 HydrophobicContact CG-CD1 4.24Å; L165-V196 HydrophobicContact CD1-CG1 4.4Å; L165-V196 HydrophobicContact CD2-CG1 4.37Å
166	H	94.9	Very high	96.7	Very high	119 Å²	119	38.8 Å²	38.8	55%	0.551	20%	0.196	S	C	*	.	H	α-helix	trans	-60.7	-30	177.3	-173.3	52.9	0	0	0	112.8	L64 I68 R162 S163 V164 H168	L64-H166 HydrophobicContact CD2-CB 3.7Å; I68-H166 HydrophobicContact CD1-CB 3.87Å; R162-H166 WeakPolarHBondContact O-CB 3.38Å; R162-H166 PolarHBondContact O-N 3.48Å; S163-H166 WeakPolarHBondContact O-CB 3.4Å; S163-H166 PolarHBondContact O-N 3.47Å; V164-H166 PolarHBondContact O-N 2.82Å; H166-H168 PolarHBondContact O-N 3.37Å
167	Q	91.8	Very high	96.6	Very high	159 Å²	159	38.9 Å²	38.9	74%	0.743	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	3.4	-179.8	-59	177.5	-5.5	0	0	113.1	V164 L165	V164-Q167 PolarHBondContact O-N 3.06Å; L165-Q167 PolarHBondContact O-N 2.75Å
168	H	95.7	Very high	96.4	Very high	46 Å²	46	39.1 Å²	39.1	21%	0.213	20%	0.197	C	C	.	.	S	Bend	trans	-124.8	149.7	-172.4	-63.9	79.3	0	0	0	111.5	Y146 V164 L165 H166 F174 Y240 M242	Y146-H168 PolarHBondContact OH-O 3.38Å; V164-H168 PolarHBondContact O-CE1 3.4Å; V164-H168 PolarHBondContact O-ND1 2.98Å; L165-H168 PolarHBondContact O-N 2.91Å; L165-H168 VanDerWaalsContact O-N 3.1Å; H166-H168 PolarHBondContact O-N 3.37Å; H168-F174 HydrophobicContact CB-CE1 3.85Å; H168-F174 HydrophobicContact CB-CE2 4.4Å; H168-F174 HydrophobicContact CB-CZ 3.49Å; H168-F174 VanDerWaalsContact CB-CZ 3.49Å; H168-F174 AromaticContact CG-CZ 3.92Å; H168-Y240 AromaticContact CD2-CD2 3.88Å; H168-Y240 AromaticContact CD2-CE2 3.87Å; H168-Y240 AromaticContact NE2-CD2 3.9Å; H168-M242 WeakPolarHBondContact CE1-CE 3.4Å; H168-M242 WeakPolarHBondContact NE2-CE 3.03Å
169	N	98	Very high	96.1	Very high	77 Å²	77	40.4 Å²	40.4	41%	0.412	21%	0.205	S	C	.	.			trans	-94.8	121.4	175.3	-178.2	-4.7	0	0	0	110.2	K171 D172 F174	N169-K171 PolarHBondContact O-N 3.02Å; N169-K171 WeakPolarHBondContact OD1-CB 3.15Å; N169-K171 WeakPolarHBondContact OD1-CG 3.39Å; N169-K171 PolarHBondContact OD1-N 2.65Å; N169-D172 WeakPolarHBondContact O-CB 3.4Å; N169-D172 PolarHBondContact O-N 3.17Å; N169-F174 WeakPolarHBondContact O-CE1 3.28Å
170	P	98.5	Very high	95.8	Very high	23 Å²	23	39.2 Å²	39.2	15%	0.149	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16	179.5	26.8	-36.9	0	0	0	114.1	D145 Y146 D172 Q199 E200	D145-P170 HydrophobicContact CB-CB 3.85Å; D145-P170 HydrophobicContact CB-CG 4.04Å; D145-P170 WeakPolarHBondContact O-CB 3.46Å; Y146-P170 HydrophobicContact CE1-CB 4.05Å; Y146-P170 HydrophobicContact CE2-CB 4.3Å; P170-D172 VanDerWaalsContact C-N 3.34Å; P170-Q199 HydrophobicContact CB-CB 4.27Å; P170-Q199 WeakPolarHBondContact O-CB 3.48Å; P170-Q199 PolarHBondContact O-N 3.45Å; P170-E200 PolarHBondContact O-N 3.25Å; P170-E200 VanDerWaalsContact O-N 3.1Å
171	K	98.7	Very high	95.7	Very high	114 Å²	114	42.6 Å²	42.6	50%	0.496	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.2	175.4	-55.6	-59.8	-178	174.2	0	113.8	N169 E200	N169-K171 PolarHBondContact O-N 3.02Å; N169-K171 WeakPolarHBondContact OD1-CB 3.15Å; N169-K171 WeakPolarHBondContact OD1-CG 3.39Å; N169-K171 PolarHBondContact OD1-N 2.65Å; K171-E200 WeakPolarHBondContact O-CB 3.39Å; K171-E200 VanDerWaalsContact O-CG 3.3Å; K171-E200 WeakPolarHBondContact O-CG 3.38Å
172	D	98.7	Very high	95.2	Very high	75 Å²	75	49.8 Å²	49.8	40%	0.401	25%	0.251	S	S	.	.	S	Bend	trans	-83.5	136.3	172	-65.7	-25.9	0	0	0	109.6	N169 P170 F174 S198	N169-D172 WeakPolarHBondContact O-CB 3.4Å; N169-D172 PolarHBondContact O-N 3.17Å; P170-D172 VanDerWaalsContact C-N 3.34Å; D172-F174 HydrophobicContact CB-CD1 4.07Å; D172-F174 VanDerWaalsContact O-CD1 3.26Å; D172-F174 WeakPolarHBondContact O-CD1 2.96Å; D172-F174 PolarHBondContact O-N 2.87Å; D172-F174 VanDerWaalsContact O-N 3.08Å; D172-S198 VanDerWaalsContact O-CB 3.23Å; D172-S198 WeakPolarHBondContact O-CB 3.25Å; D172-S198 PolarHBondContact O-OG 2.91Å
173	P	98.5	Very high	94.8	Very high	23 Å²	23	53.3 Å²	53.3	15%	0.149	27%	0.27	C	S	.	.			trans	-77.8	95.1	-178.8	31.7	-36	0	0	0	110.5	E200 G236 V237 K238	P173-E200 HydrophobicContact CB-CG 3.92Å; P173-E200 HydrophobicContact CG-CG 4.48Å; P173-G236 WeakPolarHBondContact CG-O 3.23Å; P173-V237 HydrophobicContact CB-CG2 4.33Å; P173-V237 WeakPolarHBondContact O-CA 3.28Å; P173-K238 PolarHBondContact O-N 3.45Å
174	F	98.4	Very high	94.5	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	161.3	177.6	74.1	-92.5	0	0	0	113.5	Y146 L165 H168 N169 D172 I176 S198 A201 K238 Y240	Y146-F174 HydrophobicContact CD1-CZ 4.44Å; Y146-F174 HydrophobicContact CE1-CE1 4.18Å; Y146-F174 HydrophobicContact CE1-CE2 4.43Å; Y146-F174 AromaticContact CE1-CZ 3.58Å; Y146-F174 HydrophobicContact CE1-CZ 3.58Å; L165-F174 HydrophobicContact CD2-CE2 4.35Å; L165-F174 HydrophobicContact CD2-CZ 4.38Å; H168-F174 HydrophobicContact CB-CE1 3.85Å; H168-F174 HydrophobicContact CB-CE2 4.4Å; H168-F174 HydrophobicContact CB-CZ 3.49Å; H168-F174 VanDerWaalsContact CB-CZ 3.49Å; H168-F174 AromaticContact CG-CZ 3.92Å; N169-F174 WeakPolarHBondContact O-CE1 3.28Å; D172-F174 HydrophobicContact CB-CD1 4.07Å; D172-F174 VanDerWaalsContact O-CD1 3.26Å; D172-F174 WeakPolarHBondContact O-CD1 2.96Å; D172-F174 PolarHBondContact O-N 2.87Å; D172-F174 VanDerWaalsContact O-N 3.08Å; F174-I176 HydrophobicContact CD2-CG2 4.05Å; F174-I176 HydrophobicContact CE2-CG2 4.04Å; F174-S198 PolarHBondContact N-OG 3.26Å; F174-S198 PolarHBondContact O-N 2.6Å; F174-S198 PolarHBondContact O-OG 2.9Å; F174-A201 VanDerWaalsContact O-CB 3.23Å; F174-A201 WeakPolarHBondContact O-CB 3.28Å; F174-K238 CarbonylContact C-O 3.51Å; F174-K238 WeakPolarHBondContact CA-O 3.24Å; F174-K238 HydrophobicContact CB-CB 4.43Å; F174-Y240 HydrophobicContact CB-CD2 3.77Å; F174-Y240 HydrophobicContact CB-CE1 4.46Å; F174-Y240 HydrophobicContact CB-CE2 3.5Å; F174-Y240 HydrophobicContact CB-CG 4.34Å; F174-Y240 HydrophobicContact CD1-CD2 4.48Å; F174-Y240 AromaticContact CD1-CE2 3.96Å; F174-Y240 HydrophobicContact CD1-CE2 3.96Å; F174-Y240 AromaticContact CD2-CD2 3.61Å; F174-Y240 HydrophobicContact CD2-CD2 3.61Å; F174-Y240 AromaticContact CD2-CE2 3.92Å; F174-Y240 HydrophobicContact CD2-CE2 3.92Å; F174-Y240 HydrophobicContact CD2-CG 4.49Å; F174-Y240 HydrophobicContact CE2-CD2 4.31Å; F174-Y240 AromaticContact CG-CD2 3.71Å; F174-Y240 HydrophobicContact CG-CD2 3.71Å; F174-Y240 AromaticContact CG-CE2 3.53Å; F174-Y240 HydrophobicContact CG-CE2 3.53Å
175	M	98.3	Very high	94.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.8	170.7	-65.5	174.8	56.1	0	0	110	F189 Y195 V196 L197 A201 I205 L228 V237 K238 L239 Y240	M175-F189 HydrophobicContact CB-CD2 3.82Å; M175-F189 HydrophobicContact CB-CE2 3.49Å; M175-F189 VanDerWaalsContact CB-CE2 3.49Å; M175-F189 HydrophobicContact CE-CD2 4.14Å; M175-F189 VanDerWaalsContact O-CE2 3.23Å; M175-F189 WeakPolarHBondContact O-CE2 3.25Å; M175-F189 WeakPolarHBondContact O-CZ 3.42Å; M175-Y195 HydrophobicContact CE-CD2 4.2Å; M175-V196 CarbonylContact C-O 3.54Å; M175-V196 WeakPolarHBondContact CA-O 3.47Å; M175-L197 HydrophobicContact CB-CD2 4.46Å; M175-L197 HydrophobicContact CE-CD2 3.47Å; M175-L197 VanDerWaalsContact CE-CD2 3.47Å; M175-L197 HydrophobicContact CG-CD2 3.41Å; M175-L197 VanDerWaalsContact CG-CD2 3.41Å; M175-L197 HydrophobicContact SD-CD2 3.53Å; M175-L197 VanDerWaalsContact SD-CD2 3.53Å; M175-A201 HydrophobicContact CG-CB 4.41Å; M175-I205 HydrophobicContact SD-CD1 4.07Å; M175-L228 HydrophobicContact CE-CD2 3.84Å; M175-L228 HydrophobicContact CE-CG 4.02Å; M175-V237 HydrophobicContact CB-CG1 4.37Å; M175-V237 HydrophobicContact CG-CG1 3.53Å; M175-V237 HydrophobicContact SD-CG1 3.81Å; M175-K238 PolarHBondContact N-O 2.64Å; M175-L239 HydrophobicContact CB-CD2 3.99Å; M175-L239 HydrophobicContact SD-CD2 4.17Å; M175-Y240 PolarHBondContact O-N 3.29Å
176	I	97	Very high	94	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.5	171.9	53.7	169.8	0	0	0	110.7	L161 L165 F174 Y195 V196 M242 F263	L161-I176 HydrophobicContact CD1-CD1 3.9Å; L165-I176 HydrophobicContact CD2-CD1 3.58Å; L165-I176 HydrophobicContact CG-CD1 4.24Å; F174-I176 HydrophobicContact CD2-CG2 4.05Å; F174-I176 HydrophobicContact CE2-CG2 4.04Å; I176-Y195 CarbonylContact O-C 3.59Å; I176-Y195 WeakPolarHBondContact O-CA 3.39Å; I176-Y195 VanDerWaalsContact O-CB 3.27Å; I176-Y195 WeakPolarHBondContact O-CB 3.38Å; I176-V196 HydrophobicContact CD1-CB 4.01Å; I176-V196 HydrophobicContact CD1-CG2 4.13Å; I176-V196 HydrophobicContact CG1-CB 3.55Å; I176-V196 HydrophobicContact CG1-CG1 4.45Å; I176-V196 HydrophobicContact CG1-CG2 4.05Å; I176-V196 PolarHBondContact N-O 3.26Å; I176-V196 PolarHBondContact O-N 3.23Å; I176-M242 HydrophobicContact CB-CG 4.22Å; I176-M242 HydrophobicContact CG2-CE 3.47Å; I176-M242 VanDerWaalsContact CG2-CE 3.47Å; I176-M242 HydrophobicContact CG2-CG 3.86Å; I176-F263 HydrophobicContact CD1-CE2 4.44Å; I176-F263 HydrophobicContact CD1-CZ 4.1Å; I176-F263 HydrophobicContact CG1-CZ 4.25Å
177	G	96.1	Very high	93.9	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-170.6	176.9	0	0	0	0	0	111.8	S179 F189	G177-S179 PolarHBondContact O-N 2.86Å; G177-F189 WeakPolarHBondContact O-CD1 3.45Å; G177-F189 VanDerWaalsContact O-CE1 3.29Å; G177-F189 WeakPolarHBondContact O-CE1 3.39Å
178	Y	93.3	Very high	94.1	Very high	27 Å²	27	52.7 Å²	52.7	11%	0.106	26%	0.262	C	S	.	.			trans	-76	117.3	172.4	-175.9	-88.6	0	0	0	110.5	F180 F189 S190 Y261 F263 W265	Y178-F180 HydrophobicContact CD1-CD1 4.39Å; Y178-F180 HydrophobicContact CD1-CD2 4.26Å; Y178-F180 HydrophobicContact CD1-CE1 4.16Å; Y178-F180 HydrophobicContact CD1-CE2 4Å; Y178-F180 HydrophobicContact CD1-CG 4.46Å; Y178-F180 AromaticContact CD1-CZ 3.95Å; Y178-F180 HydrophobicContact CD1-CZ 3.95Å; Y178-F180 AromaticContact CE1-CD1 3.84Å; Y178-F180 HydrophobicContact CE1-CD1 3.84Å; Y178-F180 HydrophobicContact CE1-CD2 4.49Å; Y178-F180 AromaticContact CE1-CE1 3.51Å; Y178-F180 HydrophobicContact CE1-CE1 3.51Å; Y178-F180 HydrophobicContact CE1-CE2 4.2Å; Y178-F180 HydrophobicContact CE1-CG 4.34Å; Y178-F180 AromaticContact CE1-CZ 3.71Å; Y178-F180 HydrophobicContact CE1-CZ 3.71Å; Y178-F189 CarbonylContact O-C 3.59Å; Y178-F189 VanDerWaalsContact O-CA 3.23Å; Y178-F189 WeakPolarHBondContact O-CA 3.39Å; Y178-S190 PolarHBondContact O-N 3Å; Y178-Y261 AromaticContact CD2-CD1 3.54Å; Y178-Y261 HydrophobicContact CD2-CD1 3.54Å; Y178-Y261 HydrophobicContact CD2-CE1 4.18Å; Y178-Y261 AromaticContact CD2-CG 3.78Å; Y178-Y261 HydrophobicContact CD2-CG 3.78Å; Y178-Y261 AromaticContact CE2-CD1 3.31Å; Y178-Y261 HydrophobicContact CE2-CD1 3.31Å; Y178-Y261 AromaticContact CE2-CD2 3.82Å; Y178-Y261 HydrophobicContact CE2-CD2 3.82Å; Y178-Y261 AromaticContact CE2-CE1 3.64Å; Y178-Y261 HydrophobicContact CE2-CE1 3.64Å; Y178-Y261 HydrophobicContact CE2-CE2 4.17Å; Y178-Y261 AromaticContact CE2-CG 3.39Å; Y178-Y261 HydrophobicContact CE2-CG 3.39Å; Y178-F263 WeakPolarHBondContact CD2-O 3.34Å; Y178-W265 HydrophobicContact CD1-CB 4.3Å; Y178-W265 AromaticContact CD1-CD1 3.5Å; Y178-W265 HydrophobicContact CD1-CG 4.12Å; Y178-W265 AromaticContact CD2-CD1 3.96Å; Y178-W265 AromaticContact CE1-CD1 3.14Å; Y178-W265 HydrophobicContact CE1-CG 4.05Å; Y178-W265 AromaticContact CE1-NE1 3.42Å; Y178-W265 AromaticContact CE2-CD1 3.58Å; Y178-W265 HydrophobicContact CG-CB 4.48Å; Y178-W265 AromaticContact CG-CD1 3.89Å; Y178-W265 AromaticContact CZ-CD1 3.16Å; Y178-W265 AromaticContact CZ-NE1 3.29Å; Y178-W265 VanDerWaalsContact CZ-NE1 3.29Å; Y178-W265 PolarHBondContact OH-NE1 3.44Å; Y178-W265 VanDerWaalsContact OH-NE1 3.15Å
179	S	90.8	Very high	94.1	Very high	26 Å²	26	50.5 Å²	50.5	18%	0.182	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133	-174.2	-169.3	0	0	0	0	113	G177 Y188 H241	G177-S179 PolarHBondContact O-N 2.86Å; S179-Y188 CarbonylContact C-O 3.48Å; S179-Y188 WeakPolarHBondContact CA-O 3.42Å; S179-H241 VanDerWaalsContact CB-CD2 3.41Å; S179-H241 WeakPolarHBondContact CB-CD2 3.25Å
180	F	91.1	Very high	94	Very high	25 Å²	25	47.2 Å²	47.2	11%	0.11	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.5	166.4	-74.9	-61.3	0	0	0	110.4	Y178 Y182 G187 Y188 W265	Y178-F180 HydrophobicContact CD1-CD1 4.39Å; Y178-F180 HydrophobicContact CD1-CD2 4.26Å; Y178-F180 HydrophobicContact CD1-CE1 4.16Å; Y178-F180 HydrophobicContact CD1-CE2 4Å; Y178-F180 HydrophobicContact CD1-CG 4.46Å; Y178-F180 AromaticContact CD1-CZ 3.95Å; Y178-F180 HydrophobicContact CD1-CZ 3.95Å; Y178-F180 AromaticContact CE1-CD1 3.84Å; Y178-F180 HydrophobicContact CE1-CD1 3.84Å; Y178-F180 HydrophobicContact CE1-CD2 4.49Å; Y178-F180 AromaticContact CE1-CE1 3.51Å; Y178-F180 HydrophobicContact CE1-CE1 3.51Å; Y178-F180 HydrophobicContact CE1-CE2 4.2Å; Y178-F180 HydrophobicContact CE1-CG 4.34Å; Y178-F180 AromaticContact CE1-CZ 3.71Å; Y178-F180 HydrophobicContact CE1-CZ 3.71Å; F180-Y182 HydrophobicContact CB-CD1 4.2Å; F180-Y182 HydrophobicContact CB-CE1 3.73Å; F180-Y182 AromaticContact CD1-CE1 3.58Å; F180-Y182 HydrophobicContact CD1-CE1 3.58Å; F180-Y182 HydrophobicContact CE1-CE1 4.38Å; F180-Y182 AromaticContact CG-CE1 3.87Å; F180-Y182 HydrophobicContact CG-CE1 3.87Å; F180-G187 CarbonylContact O-C 3.56Å; F180-G187 WeakPolarHBondContact O-CA 3.46Å; F180-Y188 HydrophobicContact CB-CD1 3.84Å; F180-Y188 HydrophobicContact CB-CD2 4.47Å; F180-Y188 HydrophobicContact CB-CE1 3.29Å; F180-Y188 HydrophobicContact CB-CE2 4.02Å; F180-Y188 HydrophobicContact CB-CG 4.39Å; F180-Y188 HydrophobicContact CD2-CD2 4.46Å; F180-Y188 HydrophobicContact CD2-CE1 4.44Å; F180-Y188 AromaticContact CD2-CE2 3.67Å; F180-Y188 HydrophobicContact CD2-CE2 3.67Å; F180-Y188 AromaticContact CD2-CZ 3.65Å; F180-Y188 HydrophobicContact CG-CE1 4.23Å; F180-Y188 HydrophobicContact CG-CE2 4.27Å; F180-Y188 AromaticContact CG-CZ 3.83Å; F180-Y188 PolarHBondContact N-O 2.79Å; F180-Y188 WeakPolarHBondContact O-CD1 3.46Å; F180-Y188 PolarHBondContact O-N 2.9Å; F180-W265 HydrophobicContact CE1-CD2 4.4Å; F180-W265 HydrophobicContact CE1-CZ2 4.36Å; F180-W265 HydrophobicContact CE2-CG 4.45Å; F180-W265 HydrophobicContact CZ-CB 4.37Å; F180-W265 AromaticContact CZ-CD1 3.95Å; F180-W265 AromaticContact CZ-CD2 3.68Å; F180-W265 HydrophobicContact CZ-CD2 3.68Å; F180-W265 AromaticContact CZ-CE2 3.77Å; F180-W265 HydrophobicContact CZ-CE3 4.21Å; F180-W265 AromaticContact CZ-CG 3.76Å; F180-W265 HydrophobicContact CZ-CG 3.76Å; F180-W265 HydrophobicContact CZ-CZ2 4.35Å; F180-W265 AromaticContact CZ-NE1 3.91Å
181	P	90.5	Very high	93.9	Very high	105 Å²	105	46.3 Å²	46.3	68%	0.682	23%	0.23	S	C	*	.			trans	-90.9	-1.7	-170.4	34	-37.7	0	0	0	116.1
182	Y	87.4	Confident	93.8	Very high	151 Å²	151	41.2 Å²	41.2	59%	0.592	21%	0.21	S	C	*	.	S	Bend	trans	-108.1	-13.6	-157.5	58	-91.9	0	0	0	117.4	F180 Y188	F180-Y182 HydrophobicContact CB-CD1 4.2Å; F180-Y182 HydrophobicContact CB-CE1 3.73Å; F180-Y182 AromaticContact CD1-CE1 3.58Å; F180-Y182 HydrophobicContact CD1-CE1 3.58Å; F180-Y182 HydrophobicContact CE1-CE1 4.38Å; F180-Y182 AromaticContact CG-CE1 3.87Å; F180-Y182 HydrophobicContact CG-CE1 3.87Å; Y182-Y188 VanDerWaalsContact CZ-OH 3.27Å; Y182-Y188 PolarHBondContact OH-OH 3.11Å
183	L	89.5	Confident	93.6	Very high	77 Å²	77	37.7 Å²	37.7	40%	0.403	19%	0.191	S	C	.	.	S	Bend	trans	-105.3	-9.9	-177.2	-62.8	-179.6	0	0	0	114.7	Y188 V226	L183-Y188 HydrophobicContact CB-CD1 4Å; L183-Y188 HydrophobicContact CB-CE1 3.68Å; L183-Y188 HydrophobicContact CD1-CE1 3.81Å; L183-Y188 HydrophobicContact CG-CE1 3.78Å; L183-V226 HydrophobicContact CB-CG1 4.15Å; L183-V226 HydrophobicContact CB-CG2 4.36Å; L183-V226 HydrophobicContact CD1-CG2 3.65Å
184	T	88.5	Confident	93.6	Very high	18 Å²	18	36.6 Å²	36.6	11%	0.11	18%	0.184	C	C	.	.	S	Bend	trans	-145.1	156.1	-175.3	64.4	0	0	0	0	109	N186 G187 Y188 V226 M230	T184-N186 VanDerWaalsContact C-N 3.32Å; T184-N186 PolarHBondContact O-N 2.9Å; T184-G187 PolarHBondContact O-N 3.23Å; T184-G187 VanDerWaalsContact O-N 3.13Å; T184-G187 WeakPolarHBondContact OG1-CA 3.3Å; T184-G187 PolarHBondContact OG1-N 2.97Å; T184-G187 VanDerWaalsContact OG1-N 3.12Å; T184-G187 PolarHBondContact OG1-O 3.11Å; T184-Y188 HydrophobicContact CG2-CD1 4.39Å; T184-V226 HydrophobicContact CG2-CG1 3.68Å; T184-M230 HydrophobicContact CG2-CG 3.38Å; T184-M230 HydrophobicContact CG2-SD 4.03Å
185	K	86.4	Confident	93.6	Very high	200 Å²	200	36.6 Å²	36.6	87%	0.87	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-41.4	-172.8	-174.4	178.1	177.7	-179.2	0	114.3
186	N	90.8	Very high	93.6	Very high	106 Å²	106	36.6 Å²	36.6	57%	0.567	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.2	21.6	178.5	-52.3	-52.3	0	0	0	112.8	T184 Q233	T184-N186 VanDerWaalsContact C-N 3.32Å; T184-N186 PolarHBondContact O-N 2.9Å; N186-Q233 VanDerWaalsContact CB-OE1 3.27Å; N186-Q233 PolarHBondContact ND2-OE1 3.11Å
187	G	93.9	Very high	93.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.01	18%	0.184	C	C	.	.			trans	76.9	177.2	-175.4	0	0	0	0	0	114.8	F180 T184 Q233 L239	F180-G187 CarbonylContact O-C 3.56Å; F180-G187 WeakPolarHBondContact O-CA 3.46Å; T184-G187 PolarHBondContact O-N 3.23Å; T184-G187 VanDerWaalsContact O-N 3.13Å; T184-G187 WeakPolarHBondContact OG1-CA 3.3Å; T184-G187 PolarHBondContact OG1-N 2.97Å; T184-G187 VanDerWaalsContact OG1-N 3.12Å; T184-G187 PolarHBondContact OG1-O 3.11Å; G187-Q233 PolarHBondContact O-NE2 3Å; G187-L239 WeakPolarHBondContact O-CD1 3.31Å
188	Y	95.5	Very high	93.8	Very high	10 Å²	10	36.6 Å²	36.6	4%	0.039	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158.1	-178.2	68.8	-81.4	0	0	0	109.6	S179 F180 Y182 L183 T184 V226 S229	S179-Y188 CarbonylContact C-O 3.48Å; S179-Y188 WeakPolarHBondContact CA-O 3.42Å; F180-Y188 HydrophobicContact CB-CD1 3.84Å; F180-Y188 HydrophobicContact CB-CD2 4.47Å; F180-Y188 HydrophobicContact CB-CE1 3.29Å; F180-Y188 HydrophobicContact CB-CE2 4.02Å; F180-Y188 HydrophobicContact CB-CG 4.39Å; F180-Y188 HydrophobicContact CD2-CD2 4.46Å; F180-Y188 HydrophobicContact CD2-CE1 4.44Å; F180-Y188 AromaticContact CD2-CE2 3.67Å; F180-Y188 HydrophobicContact CD2-CE2 3.67Å; F180-Y188 AromaticContact CD2-CZ 3.65Å; F180-Y188 HydrophobicContact CG-CE1 4.23Å; F180-Y188 HydrophobicContact CG-CE2 4.27Å; F180-Y188 AromaticContact CG-CZ 3.83Å; F180-Y188 PolarHBondContact N-O 2.79Å; F180-Y188 WeakPolarHBondContact O-CD1 3.46Å; F180-Y188 PolarHBondContact O-N 2.9Å; Y182-Y188 VanDerWaalsContact CZ-OH 3.27Å; Y182-Y188 PolarHBondContact OH-OH 3.11Å; L183-Y188 HydrophobicContact CB-CD1 4Å; L183-Y188 HydrophobicContact CB-CE1 3.68Å; L183-Y188 HydrophobicContact CD1-CE1 3.81Å; L183-Y188 HydrophobicContact CG-CE1 3.78Å; T184-Y188 HydrophobicContact CG2-CD1 4.39Å; Y188-V226 HydrophobicContact CD1-CG2 4.25Å; Y188-V226 HydrophobicContact CD2-CB 4.43Å; Y188-V226 HydrophobicContact CD2-CG2 3.67Å; Y188-V226 HydrophobicContact CE1-CG2 4.21Å; Y188-V226 HydrophobicContact CE2-CG2 3.62Å; Y188-V226 HydrophobicContact CG-CG2 3.99Å; Y188-S229 WeakPolarHBondContact CA-OG 3.49Å; Y188-S229 VanDerWaalsContact CB-CB 3.49Å; Y188-S229 WeakPolarHBondContact CB-OG 3.3Å
189	F	96.7	Very high	94.1	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	142	176.8	-65.4	-50.5	0	0	0	112	M175 G177 Y178 G191 Y195 D225 S229 L239 Y240	M175-F189 HydrophobicContact CB-CD2 3.82Å; M175-F189 HydrophobicContact CB-CE2 3.49Å; M175-F189 VanDerWaalsContact CB-CE2 3.49Å; M175-F189 HydrophobicContact CE-CD2 4.14Å; M175-F189 VanDerWaalsContact O-CE2 3.23Å; M175-F189 WeakPolarHBondContact O-CE2 3.25Å; M175-F189 WeakPolarHBondContact O-CZ 3.42Å; G177-F189 WeakPolarHBondContact O-CD1 3.45Å; G177-F189 VanDerWaalsContact O-CE1 3.29Å; G177-F189 WeakPolarHBondContact O-CE1 3.39Å; Y178-F189 CarbonylContact O-C 3.59Å; Y178-F189 VanDerWaalsContact O-CA 3.23Å; Y178-F189 WeakPolarHBondContact O-CA 3.39Å; F189-G191 PolarHBondContact O-N 2.91Å; F189-Y195 HydrophobicContact CB-CD1 4.41Å; F189-Y195 HydrophobicContact CB-CG 4.46Å; F189-D225 WeakPolarHBondContact O-CB 3.5Å; F189-S229 PolarHBondContact N-OG 3.22Å; F189-L239 HydrophobicContact CD2-CD2 4.13Å; F189-L239 HydrophobicContact CE2-CB 3.85Å; F189-L239 HydrophobicContact CE2-CD2 3.65Å; F189-L239 HydrophobicContact CE2-CG 4.26Å; F189-L239 HydrophobicContact CZ-CB 3.69Å; F189-L239 HydrophobicContact CZ-CD2 4.39Å; F189-Y240 VanDerWaalsContact CZ-O 3.27Å; F189-Y240 WeakPolarHBondContact CZ-O 3.41Å
190	S	95.7	Very high	94.5	Very high	8 Å²	8	36.2 Å²	36.2	6%	0.056	18%	0.18	C	C	.	.			trans	-61.6	125.9	176.3	179.7	0	0	0	0	111.3	Y178 G192 W265	Y178-S190 PolarHBondContact O-N 3Å; S190-G192 PolarHBondContact O-N 3.06Å; S190-W265 WeakPolarHBondContact OG-CB 3.15Å
191	G	96.4	Very high	94.8	Very high	3 Å²	3	35 Å²	35	3%	0.031	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-46.2	176.6	0	0	0	0	0	113.3	K149 F189 G194 D225	K149-G191 PolarHBondContact NZ-O 2.95Å; F189-G191 PolarHBondContact O-N 2.91Å; G191-G194 PolarHBondContact O-N 3.45Å; G191-D225 PolarHBondContact N-OD2 3.36Å
192	G	95.8	Very high	95.2	Very high	8 Å²	8	30.1 Å²	30.1	8%	0.082	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-29.8	-175	0	0	0	0	0	115.7	D151 T154 S190 G194 H313	D151-G192 WeakPolarHBondContact OD2-CA 3.44Å; T154-G192 PolarHBondContact OG1-O 2.78Å; S190-G192 PolarHBondContact O-N 3.06Å; G192-G194 PolarHBondContact O-N 3.42Å; G192-H313 VanDerWaalsContact C-CG 3.4Å; G192-H313 WeakPolarHBondContact CA-NE2 3.27Å; G192-H313 WeakPolarHBondContact O-CB 3.44Å; G192-H313 PolarHBondContact O-CD2 3.01Å; G192-H313 VanDerWaalsContact O-CG 3.27Å
193	A	95.2	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.7	170	0	0	0	0	0	112.1	F263 Q264 W265 S311	A193-F263 HydrophobicContact CB-CB 4.2Å; A193-Q264 WeakPolarHBondContact CB-O 3.37Å; A193-W265 HydrophobicContact CB-CB 4.18Å; A193-S311 VanDerWaalsContact O-CB 3.27Å; A193-S311 WeakPolarHBondContact O-CB 3.31Å; A193-S311 PolarHBondContact O-OG 3.1Å
194	G	98.1	Very high	96.2	Very high	1 Å²	1	24 Å²	24	1%	0.01	11%	0.114	C	C	.	.			trans	79.1	158.3	-168.8	0	0	0	0	0	112.3	K149 G191 G192 F263	K149-G194 WeakPolarHBondContact O-CA 3.37Å; G191-G194 PolarHBondContact O-N 3.45Å; G192-G194 PolarHBondContact O-N 3.42Å; G194-F263 WeakPolarHBondContact O-CD1 3.31Å
195	Y	98.4	Very high	96.7	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.4	176.7	54.5	-106.1	0	0	0	109.4	M130 K149 M175 I176 F189 L197 E224 L228	M130-Y195 HydrophobicContact CE-CE2 4.34Å; M130-Y195 WeakPolarHBondContact CE-OH 3.48Å; K149-Y195 HydrophobicContact CB-CD2 3.91Å; K149-Y195 HydrophobicContact CB-CE1 4.21Å; K149-Y195 HydrophobicContact CB-CE2 3.39Å; K149-Y195 HydrophobicContact CB-CG 4.44Å; K149-Y195 HydrophobicContact CD-CD1 4.45Å; K149-Y195 HydrophobicContact CD-CE1 3.79Å; K149-Y195 HydrophobicContact CD-CE2 4.47Å; K149-Y195 HydrophobicContact CG-CE1 4.18Å; K149-Y195 HydrophobicContact CG-CE2 4Å; K149-Y195 WeakPolarHBondContact CG-OH 3.34Å; K149-Y195 PolarHBondContact N-O 3.3Å; K149-Y195 PolarHBondContact O-N 3.47Å; M175-Y195 HydrophobicContact CE-CD2 4.2Å; I176-Y195 CarbonylContact O-C 3.59Å; I176-Y195 WeakPolarHBondContact O-CA 3.39Å; I176-Y195 VanDerWaalsContact O-CB 3.27Å; I176-Y195 WeakPolarHBondContact O-CB 3.38Å; F189-Y195 HydrophobicContact CB-CD1 4.41Å; F189-Y195 HydrophobicContact CB-CG 4.46Å; Y195-L197 HydrophobicContact CD2-CD2 4.15Å; Y195-L197 HydrophobicContact CE2-CD2 4.27Å; Y195-E224 PolarHBondContact OH-OE1 3.36Å; Y195-L228 HydrophobicContact CD2-CD2 4.1Å; Y195-L228 HydrophobicContact CE1-CD2 4.16Å; Y195-L228 HydrophobicContact CE2-CD2 3.23Å; Y195-L228 WeakPolarHBondContact OH-CD2 3.48Å
196	V	98.7	Very high	97.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.6	178.1	-178.7	0	0	0	0	110	Y146 F147 L148 L161 L165 M175 I176	Y146-V196 HydrophobicContact CD1-CG1 4.11Å; Y146-V196 HydrophobicContact CG-CG1 4.32Å; F147-V196 WeakPolarHBondContact O-CA 3.3Å; L148-V196 HydrophobicContact CB-CG2 4.16Å; L148-V196 HydrophobicContact CD1-CG2 3.55Å; L148-V196 HydrophobicContact CG-CG2 4.43Å; L161-V196 HydrophobicContact CD1-CG2 3.83Å; L161-V196 HydrophobicContact CD2-CG2 4.02Å; L165-V196 HydrophobicContact CD1-CG1 4.4Å; L165-V196 HydrophobicContact CD2-CG1 4.37Å; M175-V196 CarbonylContact C-O 3.54Å; M175-V196 WeakPolarHBondContact CA-O 3.47Å; I176-V196 HydrophobicContact CD1-CB 4.01Å; I176-V196 HydrophobicContact CD1-CG2 4.13Å; I176-V196 HydrophobicContact CG1-CB 3.55Å; I176-V196 HydrophobicContact CG1-CG1 4.45Å; I176-V196 HydrophobicContact CG1-CG2 4.05Å; I176-V196 PolarHBondContact N-O 3.26Å; I176-V196 PolarHBondContact O-N 3.23Å
197	L	98.8	Very high	97.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.8	166	-45.4	179.3	0	0	0	108.2	L134 F147 M175 Y195 A201 L202 I205 L228	L134-L197 HydrophobicContact CD2-CD1 4Å; F147-L197 HydrophobicContact CB-CB 4.34Å; F147-L197 PolarHBondContact N-O 2.99Å; F147-L197 PolarHBondContact O-N 3.25Å; M175-L197 HydrophobicContact CB-CD2 4.46Å; M175-L197 HydrophobicContact CE-CD2 3.47Å; M175-L197 VanDerWaalsContact CE-CD2 3.47Å; M175-L197 HydrophobicContact CG-CD2 3.41Å; M175-L197 VanDerWaalsContact CG-CD2 3.41Å; M175-L197 HydrophobicContact SD-CD2 3.53Å; M175-L197 VanDerWaalsContact SD-CD2 3.53Å; Y195-L197 HydrophobicContact CD2-CD2 4.15Å; Y195-L197 HydrophobicContact CE2-CD2 4.27Å; L197-A201 HydrophobicContact CB-CB 4.31Å; L197-L202 HydrophobicContact CB-CB 4.47Å; L197-L202 HydrophobicContact CD1-CB 4.35Å; L197-L202 HydrophobicContact CD1-CD1 4.12Å; L197-I205 HydrophobicContact CD2-CD1 4.29Å; L197-L228 HydrophobicContact CD2-CD2 4.2Å
198	S	98.8	Very high	97.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	160.3	160.8	74.6	0	0	0	0	110.6	D172 F174 E200 A201 L202	D172-S198 VanDerWaalsContact O-CB 3.23Å; D172-S198 WeakPolarHBondContact O-CB 3.25Å; D172-S198 PolarHBondContact O-OG 2.91Å; F174-S198 PolarHBondContact N-OG 3.26Å; F174-S198 PolarHBondContact O-N 2.6Å; F174-S198 PolarHBondContact O-OG 2.9Å; S198-E200 PolarHBondContact O-N 3.31Å; S198-A201 PolarHBondContact O-N 3.5Å; S198-A201 VanDerWaalsContact O-N 3.16Å; S198-A201 WeakPolarHBondContact OG-CB 3.4Å; S198-A201 PolarHBondContact OG-N 3.48Å; S198-L202 PolarHBondContact O-N 2.89Å
199	Q	98.8	Very high	97.9	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.019	8%	0.079	C	C	.	.	H	α-helix	trans	-52.5	-47.1	174.6	-171.4	-173.7	90.3	0	0	111.6	R141 Y144 D145 F147 P170 L202 K203	R141-Q199 WeakPolarHBondContact O-CG 3.47Å; R141-Q199 PolarHBondContact O-NE2 2.84Å; Y144-Q199 PolarHBondContact O-NE2 3.4Å; D145-Q199 WeakPolarHBondContact O-CB 2.91Å; D145-Q199 PolarHBondContact O-N 2.91Å; F147-Q199 HydrophobicContact CE2-CG 4.45Å; P170-Q199 HydrophobicContact CB-CB 4.27Å; P170-Q199 WeakPolarHBondContact O-CB 3.48Å; P170-Q199 PolarHBondContact O-N 3.45Å; Q199-L202 PolarHBondContact O-N 3.39Å; Q199-K203 WeakPolarHBondContact O-CG 3.48Å; Q199-K203 PolarHBondContact O-N 3.27Å; Q199-K203 VanDerWaalsContact O-N 3.14Å
200	E	98.8	Very high	97.9	Very high	42 Å²	42	16.6 Å²	16.6	20%	0.196	8%	0.079	C	C	.	.	H	α-helix	trans	-67.6	-36.8	179.9	-176.5	64	-169.3	0	0	112.2	P170 K171 P173 S198 L202 K203 R204	P170-E200 PolarHBondContact O-N 3.25Å; P170-E200 VanDerWaalsContact O-N 3.1Å; K171-E200 WeakPolarHBondContact O-CB 3.39Å; K171-E200 VanDerWaalsContact O-CG 3.3Å; K171-E200 WeakPolarHBondContact O-CG 3.38Å; P173-E200 HydrophobicContact CB-CG 3.92Å; P173-E200 HydrophobicContact CG-CG 4.48Å; S198-E200 PolarHBondContact O-N 3.31Å; E200-L202 PolarHBondContact O-N 3.15Å; E200-K203 WeakPolarHBondContact O-CB 3.07Å; E200-K203 PolarHBondContact O-N 3.2Å; E200-R204 HydrophobicContact CG-CG 4.45Å; E200-R204 WeakPolarHBondContact O-CG 3.22Å; E200-R204 PolarHBondContact O-N 3.41Å; E200-R204 IonicContact OE1-CZ 3.57Å; E200-R204 IonicContact OE1-NE 2.83Å; E200-R204 PolarHBondContact OE1-NE 2.92Å; E200-R204 IonicContact OE1-NH2 3.38Å; E200-R204 PolarHBondContact OE1-NH2 3.05Å
201	A	98.8	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.4	-45.4	175.6	0	0	0	0	0	112	F174 M175 L197 S198 K203 R204 I205 V237	F174-A201 VanDerWaalsContact O-CB 3.23Å; F174-A201 WeakPolarHBondContact O-CB 3.28Å; M175-A201 HydrophobicContact CG-CB 4.41Å; L197-A201 HydrophobicContact CB-CB 4.31Å; S198-A201 PolarHBondContact O-N 3.5Å; S198-A201 VanDerWaalsContact O-N 3.16Å; S198-A201 WeakPolarHBondContact OG-CB 3.4Å; S198-A201 PolarHBondContact OG-N 3.48Å; A201-K203 VanDerWaalsContact C-N 3.3Å; A201-K203 PolarHBondContact O-N 2.87Å; A201-R204 PolarHBondContact O-N 3.31Å; A201-I205 WeakPolarHBondContact O-CB 3.48Å; A201-I205 WeakPolarHBondContact O-CD1 3.11Å; A201-I205 VanDerWaalsContact O-CG1 3.24Å; A201-I205 WeakPolarHBondContact O-CG1 3.27Å; A201-I205 PolarHBondContact O-N 3.39Å; A201-V237 HydrophobicContact CB-CG1 3.79Å; A201-V237 HydrophobicContact CB-CG2 3.99Å
202	L	98.8	Very high	97.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-44.9	175	175.3	64.8	0	0	0	111	L134 V137 R141 F147 L197 S198 Q199 E200 I205 V206	L134-L202 HydrophobicContact CD2-CD1 3.75Å; V137-L202 HydrophobicContact CG1-CD2 4.13Å; R141-L202 HydrophobicContact CB-CD2 4.34Å; F147-L202 HydrophobicContact CD1-CD2 3.79Å; F147-L202 HydrophobicContact CD2-CB 4.15Å; F147-L202 HydrophobicContact CD2-CD2 3.57Å; F147-L202 HydrophobicContact CD2-CG 4.49Å; F147-L202 HydrophobicContact CE1-CD2 3.74Å; F147-L202 HydrophobicContact CE2-CD2 3.55Å; F147-L202 HydrophobicContact CG-CD2 3.72Å; F147-L202 HydrophobicContact CZ-CD2 3.64Å; L197-L202 HydrophobicContact CB-CB 4.47Å; L197-L202 HydrophobicContact CD1-CB 4.35Å; L197-L202 HydrophobicContact CD1-CD1 4.12Å; S198-L202 PolarHBondContact O-N 2.89Å; Q199-L202 PolarHBondContact O-N 3.39Å; E200-L202 PolarHBondContact O-N 3.15Å; L202-I205 PolarHBondContact O-N 2.92Å; L202-V206 HydrophobicContact CD1-CG2 3.97Å; L202-V206 WeakPolarHBondContact O-CG2 3.36Å; L202-V206 PolarHBondContact O-N 3.36Å; L202-V206 VanDerWaalsContact O-N 3.08Å
203	K	98.8	Very high	97.9	Very high	32 Å²	32	28.1 Å²	28.1	14%	0.139	13%	0.129	C	C	.	.	H	α-helix	trans	-58	-53.8	178.8	-76	178.1	175.2	178.2	0	111.5	Y138 R141 N142 Q199 E200 A201 I205 V206 E207	Y138-K203 HydrophobicContact CE2-CG 4.32Å; R141-K203 HydrophobicContact CB-CG 4.3Å; R141-K203 HydrophobicContact CG-CG 4.49Å; N142-K203 WeakPolarHBondContact OD1-CE 2.81Å; N142-K203 PolarHBondContact OD1-NZ 2.94Å; Q199-K203 WeakPolarHBondContact O-CG 3.48Å; Q199-K203 PolarHBondContact O-N 3.27Å; Q199-K203 VanDerWaalsContact O-N 3.14Å; E200-K203 WeakPolarHBondContact O-CB 3.07Å; E200-K203 PolarHBondContact O-N 3.2Å; A201-K203 VanDerWaalsContact C-N 3.3Å; A201-K203 PolarHBondContact O-N 2.87Å; K203-I205 PolarHBondContact O-N 3.14Å; K203-V206 PolarHBondContact O-N 2.94Å; K203-E207 WeakPolarHBondContact O-CB 3.37Å; K203-E207 VanDerWaalsContact O-CG 3.24Å; K203-E207 WeakPolarHBondContact O-CG 3.18Å; K203-E207 PolarHBondContact O-N 3.33Å
204	R	98.7	Very high	97.9	Very high	68 Å²	68	34 Å²	34	26%	0.257	17%	0.168	S	C	.	.	H	α-helix	trans	-63.7	-41.4	-178.4	-63.6	-168.3	-171.6	-165.4	0.2	112.8	E200 A201 V206 Q208 A209 V235 V237	E200-R204 HydrophobicContact CG-CG 4.45Å; E200-R204 WeakPolarHBondContact O-CG 3.22Å; E200-R204 PolarHBondContact O-N 3.41Å; E200-R204 IonicContact OE1-CZ 3.57Å; E200-R204 IonicContact OE1-NE 2.83Å; E200-R204 PolarHBondContact OE1-NE 2.92Å; E200-R204 IonicContact OE1-NH2 3.38Å; E200-R204 PolarHBondContact OE1-NH2 3.05Å; A201-R204 PolarHBondContact O-N 3.31Å; R204-V206 VanDerWaalsContact C-N 3.32Å; R204-V206 PolarHBondContact O-N 3.33Å; R204-Q208 WeakPolarHBondContact O-CA 3.49Å; R204-Q208 VanDerWaalsContact O-CB 3.3Å; R204-Q208 WeakPolarHBondContact O-CB 3.23Å; R204-Q208 PolarHBondContact O-N 3.38Å; R204-A209 PolarHBondContact O-N 3.24Å; R204-V235 HydrophobicContact CB-CB 4.28Å; R204-V235 HydrophobicContact CB-CG2 3.88Å; R204-V235 WeakPolarHBondContact CD-O 3.24Å; R204-V235 PolarHBondContact NH1-O 3.25Å; R204-V237 HydrophobicContact CB-CG2 4.45Å
205	I	98.6	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-59.3	-45.1	177.7	-71.6	166.9	0	0	0	110.6	L134 M175 L197 A201 L202 K203 A209 I210 L228 V237	L134-I205 HydrophobicContact CD1-CG2 4.01Å; M175-I205 HydrophobicContact SD-CD1 4.07Å; L197-I205 HydrophobicContact CD2-CD1 4.29Å; A201-I205 WeakPolarHBondContact O-CB 3.48Å; A201-I205 WeakPolarHBondContact O-CD1 3.11Å; A201-I205 VanDerWaalsContact O-CG1 3.24Å; A201-I205 WeakPolarHBondContact O-CG1 3.27Å; A201-I205 PolarHBondContact O-N 3.39Å; L202-I205 PolarHBondContact O-N 2.92Å; K203-I205 PolarHBondContact O-N 3.14Å; I205-A209 WeakPolarHBondContact O-CA 3.39Å; I205-A209 WeakPolarHBondContact O-CB 3.2Å; I205-A209 PolarHBondContact O-N 3.24Å; I205-I210 HydrophobicContact CG2-CG2 3.94Å; I205-I210 PolarHBondContact O-N 3.07Å; I205-L228 HydrophobicContact CD1-CD1 4.06Å; I205-L228 HydrophobicContact CG2-CD1 3.97Å; I205-V237 HydrophobicContact CD1-CG2 4.45Å; I205-V237 HydrophobicContact CG1-CG2 4.21Å
206	V	98.4	Very high	97.5	Very high	14 Å²	14	37 Å²	37	9%	0.085	19%	0.188	C	C	.	.	I	π-helix	trans	-79	-39.2	-177.6	175.9	0	0	0	0	112.7	L134 Y138 L202 K203 R204 I210 K212	L134-V206 HydrophobicContact CB-CG2 4.03Å; Y138-V206 HydrophobicContact CD1-CG1 4.03Å; Y138-V206 HydrophobicContact CD2-CB 3.57Å; Y138-V206 HydrophobicContact CD2-CG1 3.58Å; Y138-V206 HydrophobicContact CD2-CG2 3.96Å; Y138-V206 HydrophobicContact CE1-CG1 4.41Å; Y138-V206 HydrophobicContact CE2-CB 3.99Å; Y138-V206 HydrophobicContact CE2-CG1 3.98Å; Y138-V206 HydrophobicContact CG-CB 4.08Å; Y138-V206 HydrophobicContact CG-CG1 3.61Å; Y138-V206 HydrophobicContact CG-CG2 4.3Å; L202-V206 HydrophobicContact CD1-CG2 3.97Å; L202-V206 WeakPolarHBondContact O-CG2 3.36Å; L202-V206 PolarHBondContact O-N 3.36Å; L202-V206 VanDerWaalsContact O-N 3.08Å; K203-V206 PolarHBondContact O-N 2.94Å; R204-V206 VanDerWaalsContact C-N 3.32Å; R204-V206 PolarHBondContact O-N 3.33Å; V206-I210 HydrophobicContact CB-CD1 4.25Å; V206-I210 HydrophobicContact CG1-CD1 4.2Å; V206-I210 HydrophobicContact CG2-CD1 4.06Å; V206-K212 PolarHBondContact O-NZ 3.46Å
207	E	98.3	Very high	97.3	Very high	74 Å²	74	37.8 Å²	37.8	35%	0.346	19%	0.193	S	C	.	.	I	π-helix	trans	-83	-27.1	-173.8	-68.3	172.2	-158.5	0	0	113.2	Y138 K203 K212	Y138-E207 HydrophobicContact CE2-CG 3.78Å; Y138-E207 WeakPolarHBondContact CE2-OE1 3.41Å; Y138-E207 VanDerWaalsContact CZ-OE1 3.28Å; Y138-E207 VanDerWaalsContact OH-CG 3.28Å; Y138-E207 WeakPolarHBondContact OH-CG 3.26Å; Y138-E207 PolarHBondContact OH-OE1 2.56Å; K203-E207 WeakPolarHBondContact O-CB 3.37Å; K203-E207 VanDerWaalsContact O-CG 3.24Å; K203-E207 WeakPolarHBondContact O-CG 3.18Å; K203-E207 PolarHBondContact O-N 3.33Å; E207-K212 VanDerWaalsContact C-NZ 3.27Å; E207-K212 WeakPolarHBondContact O-CD 3.35Å; E207-K212 WeakPolarHBondContact O-CE 3.41Å; E207-K212 PolarHBondContact O-NZ 2.63Å
208	Q	98.4	Very high	97.1	Very high	89 Å²	89	42 Å²	42	42%	0.416	22%	0.219	S	C	.	.	I	π-helix	trans	-127.7	-30.1	-169.2	-54.9	172.7	23.9	0	0	112.9	R204 K212 H213 V235	R204-Q208 WeakPolarHBondContact O-CA 3.49Å; R204-Q208 VanDerWaalsContact O-CB 3.3Å; R204-Q208 WeakPolarHBondContact O-CB 3.23Å; R204-Q208 PolarHBondContact O-N 3.38Å; Q208-K212 WeakPolarHBondContact O-CB 3.31Å; Q208-H213 WeakPolarHBondContact O-CB 3.42Å; Q208-H213 PolarHBondContact O-N 2.92Å; Q208-V235 HydrophobicContact CB-CB 4.21Å; Q208-V235 HydrophobicContact CB-CG1 3.68Å
209	A	97.9	Very high	96.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-95	-66.4	-174.4	0	0	0	0	0	114	R204 I205 D211 K212 H213 C216 C231 V235	R204-A209 PolarHBondContact O-N 3.24Å; I205-A209 WeakPolarHBondContact O-CA 3.39Å; I205-A209 WeakPolarHBondContact O-CB 3.2Å; I205-A209 PolarHBondContact O-N 3.24Å; A209-D211 PolarHBondContact O-N 3.05Å; A209-K212 PolarHBondContact O-N 3.43Å; A209-H213 PolarHBondContact O-N 3.1Å; A209-C216 HydrophobicContact CB-CB 4.44Å; A209-C216 WeakPolarHBondContact O-CB 3.35Å; A209-C231 HydrophobicContact CB-CB 3.99Å; A209-C231 WeakPolarHBondContact CB-O 3.41Å; A209-V235 HydrophobicContact CB-CG1 3.97Å; A209-V235 HydrophobicContact CB-CG2 4.02Å
210	I	96.6	Very high	96.6	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	129.8	-173.2	69.5	-177.2	0	0	0	110.7	W127 L134 R135 I205 V206 K212	W127-I210 HydrophobicContact CH2-CG2 4.21Å; L134-I210 HydrophobicContact CD1-CG2 4.4Å; R135-I210 HydrophobicContact CG-CD1 4.14Å; I205-I210 HydrophobicContact CG2-CG2 3.94Å; I205-I210 PolarHBondContact O-N 3.07Å; V206-I210 HydrophobicContact CB-CD1 4.25Å; V206-I210 HydrophobicContact CG1-CD1 4.2Å; V206-I210 HydrophobicContact CG2-CD1 4.06Å; I210-K212 WeakPolarHBondContact O-CG 3.41Å; I210-K212 PolarHBondContact O-N 2.86Å
211	D	93.4	Very high	96.5	Very high	71 Å²	71	49.2 Å²	49.2	38%	0.38	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	10	-179.2	-37.4	-56.5	0	0	0	116.1	R131 R135 A209	R131-D211 IonicContact CZ-OD1 3.48Å; R131-D211 IonicContact NH1-OD1 3.54Å; R131-D211 PolarHBondContact NH1-OD1 3.43Å; R135-D211 IonicContact CZ-OD2 3.62Å; R135-D211 IonicContact NE-OD2 3.36Å; R135-D211 IonicContact NH2-OD1 2.75Å; R135-D211 IonicContact NH2-OD2 2.77Å; R135-D211 PolarHBondContact NH2-OD2 3.2Å; A209-D211 PolarHBondContact O-N 3.05Å
212	K	96	Very high	96.3	Very high	134 Å²	134	52.5 Å²	52.5	58%	0.583	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	-45.1	-173.6	-69.1	169.3	-177.8	166.4	0	112.3	V206 E207 Q208 A209 I210	V206-K212 PolarHBondContact O-NZ 3.46Å; E207-K212 VanDerWaalsContact C-NZ 3.27Å; E207-K212 WeakPolarHBondContact O-CD 3.35Å; E207-K212 WeakPolarHBondContact O-CE 3.41Å; E207-K212 PolarHBondContact O-NZ 2.63Å; Q208-K212 WeakPolarHBondContact O-CB 3.31Å; A209-K212 PolarHBondContact O-N 3.43Å; I210-K212 WeakPolarHBondContact O-CG 3.41Å; I210-K212 PolarHBondContact O-N 2.86Å
213	H	96.7	Very high	96.2	Very high	56 Å²	56	56.8 Å²	56.8	26%	0.259	29%	0.286	S	S	.	.	S	Bend	trans	-88.7	131.5	-178.9	-164.4	-82.2	0	0	0	110.6	Q208 A209 S215 C216 P234	Q208-H213 WeakPolarHBondContact O-CB 3.42Å; Q208-H213 PolarHBondContact O-N 2.92Å; A209-H213 PolarHBondContact O-N 3.1Å; H213-S215 PolarHBondContact CE1-OG 2.81Å; H213-S215 WeakPolarHBondContact ND1-CB 3.34Å; H213-S215 PolarHBondContact ND1-N 3.44Å; H213-S215 VanDerWaalsContact ND1-N 3.18Å; H213-S215 PolarHBondContact ND1-OG 2.84Å; H213-S215 PolarHBondContact O-N 3.04Å; H213-S215 VanDerWaalsContact O-N 3.14Å; H213-C216 HydrophobicContact CB-CB 4.47Å; H213-C216 WeakPolarHBondContact O-CB 3.4Å; H213-C216 PolarHBondContact O-N 3.1Å; H213-P234 WeakPolarHBondContact CE1-CB 3.46Å
214	P	95.7	Very high	96.1	Very high	125 Å²	125	55.7 Å²	55.7	81%	0.812	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-27	-175.9	23.4	-34.8	0	0	0	113.9	C216	P214-C216 VanDerWaalsContact C-N 3.27Å; P214-C216 PolarHBondContact O-N 3.43Å
215	S	93	Very high	96	Very high	61 Å²	61	53.9 Å²	53.9	43%	0.427	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-9.3	175.7	-47.2	0	0	0	0	114.4	H213 P217	H213-S215 PolarHBondContact CE1-OG 2.81Å; H213-S215 WeakPolarHBondContact ND1-CB 3.34Å; H213-S215 PolarHBondContact ND1-N 3.44Å; H213-S215 VanDerWaalsContact ND1-N 3.18Å; H213-S215 PolarHBondContact ND1-OG 2.84Å; H213-S215 PolarHBondContact O-N 3.04Å; H213-S215 VanDerWaalsContact O-N 3.14Å; S215-P217 WeakPolarHBondContact O-CD 3.15Å
216	C	95.8	Very high	95.9	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.02	28%	0.278	C	S	.	.	S	Bend	trans	-99.9	113.7	-179.3	-172.1	0	0	0	0	110.2	A209 H213 P214 T218 C231	A209-C216 HydrophobicContact CB-CB 4.44Å; A209-C216 WeakPolarHBondContact O-CB 3.35Å; H213-C216 HydrophobicContact CB-CB 4.47Å; H213-C216 WeakPolarHBondContact O-CB 3.4Å; H213-C216 PolarHBondContact O-N 3.1Å; P214-C216 VanDerWaalsContact C-N 3.27Å; P214-C216 PolarHBondContact O-N 3.43Å; C216-T218 PolarHBondContact O-N 3.35Å; C216-C231 WeakPolarHBondContact CA-SG 3.45Å; C216-C231 HydrophobicContact CB-CB 3.79Å; C216-C231 WeakPolarHBondContact CB-SG 3.3Å; C216-C231 WeakPolarHBondContact SG-CB 3.25Å; C216-C231 CovalentContact SG-SG 2.03Å; C216-C231 PolarHBondContact SG-SG 2.83Å
217	P	94	Very high	95.9	Very high	16 Å²	16	54.4 Å²	54.4	10%	0.104	28%	0.278	C	S	.	.			trans	-62.1	135.9	-175.1	-32	42.6	0	0	0	114.2	W127 S215 Y219 K227	W127-P217 PolarHBondContact NE1-O 2.83Å; S215-P217 WeakPolarHBondContact O-CD 3.15Å; P217-Y219 HydrophobicContact CB-CD1 4.1Å; P217-Y219 HydrophobicContact CB-CE1 3.68Å; P217-Y219 HydrophobicContact CB-CE2 4.19Å; P217-Y219 HydrophobicContact CG-CE1 4.31Å; P217-K227 HydrophobicContact CG-CD 3.77Å; P217-K227 HydrophobicContact CG-CG 4.5Å
218	T	94.3	Very high	95.9	Very high	88 Å²	88	50.9 Å²	50.9	54%	0.54	26%	0.261	S	S	.	.			trans	-101.4	-10.7	177.5	56.6	0	0	0	0	113.7	R131 C216	R131-T218 PolarHBondContact NH1-O 2.85Å; R131-T218 PolarHBondContact NH2-O 3.27Å; C216-T218 PolarHBondContact O-N 3.35Å
219	Y	94.3	Very high	95.8	Very high	134 Å²	134	46.7 Å²	46.7	53%	0.525	24%	0.242	S	C	.	.	S	Bend	trans	-80.2	167.3	174.1	57	-98.7	0	0	0	111.6	W127 P217 E221	W127-Y219 VanDerWaalsContact CD1-O 3.24Å; P217-Y219 HydrophobicContact CB-CD1 4.1Å; P217-Y219 HydrophobicContact CB-CE1 3.68Å; P217-Y219 HydrophobicContact CB-CE2 4.19Å; P217-Y219 HydrophobicContact CG-CE1 4.31Å; Y219-E221 HydrophobicContact CD2-CB 4.4Å; Y219-E221 HydrophobicContact CD2-CG 4.35Å; Y219-E221 HydrophobicContact CE2-CB 4.28Å; Y219-E221 HydrophobicContact CE2-CG 4.06Å
220	D	94.5	Very high	95.7	Very high	36 Å²	36	49.9 Å²	49.9	19%	0.193	26%	0.258	C	S	.	.			trans	-85.6	141.9	177.4	179.6	60.9	0	0	0	112.4	Y119 H125 S128	Y119-D220 HydrophobicContact CD2-CB 4.2Å; Y119-D220 HydrophobicContact CE2-CB 3.58Å; H125-D220 VanDerWaalsContact CA-OD1 3.3Å; H125-D220 WeakPolarHBondContact CA-OD1 3.08Å; H125-D220 IonicContact CE1-OD2 2.75Å; H125-D220 IonicContact CG-OD2 3.53Å; H125-D220 IonicContact ND1-OD1 3.48Å; H125-D220 IonicContact ND1-OD2 3.87Å; H125-D220 PolarHBondContact ND1-OD2 3.41Å; S128-D220 WeakPolarHBondContact CB-OD1 3.5Å; S128-D220 WeakPolarHBondContact OG-CA 3.49Å; S128-D220 VanDerWaalsContact OG-CB 3.25Å; S128-D220 WeakPolarHBondContact OG-CB 3.3Å; S128-D220 VanDerWaalsContact OG-CG 3.29Å; S128-D220 PolarHBondContact OG-OD1 3.39Å
221	E	95.1	Very high	95.7	Very high	28 Å²	28	49.8 Å²	49.8	13%	0.131	26%	0.257	C	S	.	.			trans	-168.9	178.1	176	60.7	145.8	-123.2	0	0	114.1	Q124 L126 W127 Y219 K223 K227	Q124-E221 CarbonylContact O-C 3.55Å; Q124-E221 WeakPolarHBondContact O-CA 3.34Å; L126-E221 PolarHBondContact N-O 3.24Å; W127-E221 HydrophobicContact CB-CG 3.86Å; W127-E221 WeakPolarHBondContact CB-O 3.4Å; W127-E221 HydrophobicContact CG-CG 4.25Å; W127-E221 PolarHBondContact N-O 3.16Å; Y219-E221 HydrophobicContact CD2-CB 4.4Å; Y219-E221 HydrophobicContact CD2-CG 4.35Å; Y219-E221 HydrophobicContact CE2-CB 4.28Å; Y219-E221 HydrophobicContact CE2-CG 4.06Å; E221-K223 PolarHBondContact OE1-N 2.81Å; E221-K227 HydrophobicContact CG-CG 4.32Å; E221-K227 WeakPolarHBondContact OE1-CE 3.34Å; E221-K227 WeakPolarHBondContact OE1-CG 3.4Å; E221-K227 IonicContact OE1-NZ 3.62Å; E221-K227 PolarHBondContact OE1-NZ 3.06Å; E221-K227 WeakPolarHBondContact OE2-CE 3.35Å; E221-K227 IonicContact OE2-NZ 3.68Å; E221-K227 PolarHBondContact OE2-NZ 3.46Å
222	D	95.4	Very high	95.9	Very high	69 Å²	69	46.4 Å²	46.4	37%	0.369	24%	0.239	S	C	.	.	S	Bend	trans	-92.3	-22.5	-168.1	71.6	-31.8	0	0	0	115.6	R123 Q124 L126 E224	R123-D222 VanDerWaalsContact O-CA 3.31Å; R123-D222 WeakPolarHBondContact O-CA 3.39Å; R123-D222 VanDerWaalsContact O-CB 3.27Å; R123-D222 WeakPolarHBondContact O-CB 3.49Å; Q124-D222 PolarHBondContact O-N 3.43Å; L126-D222 WeakPolarHBondContact CD1-O 3.17Å; D222-E224 PolarHBondContact O-N 3.25Å
223	K	96.1	Very high	96	Very high	92 Å²	92	41.8 Å²	41.8	40%	0.4	22%	0.22	S	C	.	.			trans	-98.7	60	-173.4	-69.5	167.9	-171	165.3	0	112.5	E221 D225 V226 K227	E221-K223 PolarHBondContact OE1-N 2.81Å; K223-D225 PolarHBondContact O-N 3.11Å; K223-D225 VanDerWaalsContact O-N 3.16Å; K223-V226 HydrophobicContact CB-CB 3.95Å; K223-V226 HydrophobicContact CB-CG2 3.89Å; K223-V226 HydrophobicContact CD-CG2 4.38Å; K223-V226 HydrophobicContact CG-CG2 4.41Å; K223-V226 WeakPolarHBondContact O-CB 3.32Å; K223-V226 PolarHBondContact O-N 3.42Å; K223-K227 WeakPolarHBondContact O-CG 3.23Å; K223-K227 PolarHBondContact O-N 3.13Å
224	E	96.9	Very high	96	Very high	9 Å²	9	42 Å²	42	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-43.9	-46.5	176.3	169.6	-85.6	124.2	0	0	113.8	L126 M130 K149 Y195 D222 K227 L228	L126-E224 HydrophobicContact CB-CB 3.76Å; M130-E224 HydrophobicContact CB-CB 4.48Å; M130-E224 HydrophobicContact CB-CG 3.39Å; M130-E224 HydrophobicContact CG-CG 3.58Å; M130-E224 HydrophobicContact SD-CG 4.31Å; K149-E224 VanDerWaalsContact CE-OE2 3.31Å; K149-E224 WeakPolarHBondContact CE-OE2 3.22Å; K149-E224 IonicContact NZ-OE2 2.61Å; K149-E224 PolarHBondContact NZ-OE2 3.35Å; Y195-E224 PolarHBondContact OH-OE1 3.36Å; D222-E224 PolarHBondContact O-N 3.25Å; E224-K227 PolarHBondContact O-N 3.43Å; E224-L228 WeakPolarHBondContact O-CB 3.46Å; E224-L228 PolarHBondContact O-N 3.06Å
225	D	97.1	Very high	96.1	Very high	30 Å²	30	36.6 Å²	36.6	16%	0.16	19%	0.191	C	C	.	.	H	α-helix	trans	-70.5	-39.4	-173.5	63.2	-20.1	0	0	0	112.6	F189 G191 K223 S229	F189-D225 WeakPolarHBondContact O-CB 3.5Å; G191-D225 PolarHBondContact N-OD2 3.36Å; K223-D225 PolarHBondContact O-N 3.11Å; K223-D225 VanDerWaalsContact O-N 3.16Å; D225-S229 WeakPolarHBondContact O-CB 3.21Å; D225-S229 PolarHBondContact O-N 3.14Å; D225-S229 PolarHBondContact O-OG 3.16Å
226	V	97.1	Very high	96.4	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.03	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-48.8	168.9	180	0	0	0	0	109.9	L183 T184 Y188 K223 S229 M230	L183-V226 HydrophobicContact CB-CG1 4.15Å; L183-V226 HydrophobicContact CB-CG2 4.36Å; L183-V226 HydrophobicContact CD1-CG2 3.65Å; T184-V226 HydrophobicContact CG2-CG1 3.68Å; Y188-V226 HydrophobicContact CD1-CG2 4.25Å; Y188-V226 HydrophobicContact CD2-CB 4.43Å; Y188-V226 HydrophobicContact CD2-CG2 3.67Å; Y188-V226 HydrophobicContact CE1-CG2 4.21Å; Y188-V226 HydrophobicContact CE2-CG2 3.62Å; Y188-V226 HydrophobicContact CG-CG2 3.99Å; K223-V226 HydrophobicContact CB-CB 3.95Å; K223-V226 HydrophobicContact CB-CG2 3.89Å; K223-V226 HydrophobicContact CD-CG2 4.38Å; K223-V226 HydrophobicContact CG-CG2 4.41Å; K223-V226 WeakPolarHBondContact O-CB 3.32Å; K223-V226 PolarHBondContact O-N 3.42Å; V226-S229 PolarHBondContact O-N 2.83Å; V226-M230 HydrophobicContact CG1-CG 4.36Å; V226-M230 HydrophobicContact CG1-SD 3.88Å; V226-M230 VanDerWaalsContact O-CG 3.28Å; V226-M230 WeakPolarHBondContact O-CG 2.98Å; V226-M230 PolarHBondContact O-N 2.74Å
227	K	97.2	Very high	96.5	Very high	19 Å²	19	35.4 Å²	35.4	8%	0.083	19%	0.188	C	C	.	.	H	α-helix	trans	-69.4	-40.8	-175.2	-62.9	-46.6	-168.7	-75.3	0	113.2	W127 P217 E221 K223 E224 S229 M230 C231	W127-K227 HydrophobicContact CD2-CB 3.65Å; W127-K227 HydrophobicContact CD2-CG 4.31Å; W127-K227 HydrophobicContact CE3-CB 3.76Å; W127-K227 HydrophobicContact CG-CB 4.16Å; W127-K227 HydrophobicContact CG-CG 4.29Å; W127-K227 HydrophobicContact CH2-CB 4.25Å; W127-K227 HydrophobicContact CZ2-CB 4.15Å; W127-K227 HydrophobicContact CZ3-CB 4.07Å; P217-K227 HydrophobicContact CG-CD 3.77Å; P217-K227 HydrophobicContact CG-CG 4.5Å; E221-K227 HydrophobicContact CG-CG 4.32Å; E221-K227 WeakPolarHBondContact OE1-CE 3.34Å; E221-K227 WeakPolarHBondContact OE1-CG 3.4Å; E221-K227 IonicContact OE1-NZ 3.62Å; E221-K227 PolarHBondContact OE1-NZ 3.06Å; E221-K227 WeakPolarHBondContact OE2-CE 3.35Å; E221-K227 IonicContact OE2-NZ 3.68Å; E221-K227 PolarHBondContact OE2-NZ 3.46Å; K223-K227 WeakPolarHBondContact O-CG 3.23Å; K223-K227 PolarHBondContact O-N 3.13Å; E224-K227 PolarHBondContact O-N 3.43Å; K227-S229 VanDerWaalsContact C-N 3.28Å; K227-S229 PolarHBondContact O-N 2.86Å; K227-M230 HydrophobicContact CD-SD 3.87Å; K227-M230 PolarHBondContact O-N 3.3Å; K227-C231 WeakPolarHBondContact O-CB 3.21Å; K227-C231 PolarHBondContact O-N 3.27Å; K227-C231 PolarHBondContact O-SG 2.77Å
228	L	97.8	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.8	-47	174.3	-173.5	66	0	0	0	111.4	W127 M130 L134 M175 Y195 L197 I205 E224 M230 C231 G232	W127-L228 HydrophobicContact CZ3-CB 4.24Å; W127-L228 HydrophobicContact CZ3-CD1 4.43Å; M130-L228 HydrophobicContact CE-CD1 4.46Å; M130-L228 HydrophobicContact CE-CD2 3.88Å; L134-L228 HydrophobicContact CD1-CD1 3.71Å; L134-L228 HydrophobicContact CD2-CD1 4.45Å; M175-L228 HydrophobicContact CE-CD2 3.84Å; M175-L228 HydrophobicContact CE-CG 4.02Å; Y195-L228 HydrophobicContact CD2-CD2 4.1Å; Y195-L228 HydrophobicContact CE1-CD2 4.16Å; Y195-L228 HydrophobicContact CE2-CD2 3.23Å; Y195-L228 WeakPolarHBondContact OH-CD2 3.48Å; L197-L228 HydrophobicContact CD2-CD2 4.2Å; I205-L228 HydrophobicContact CD1-CD1 4.06Å; I205-L228 HydrophobicContact CG2-CD1 3.97Å; E224-L228 WeakPolarHBondContact O-CB 3.46Å; E224-L228 PolarHBondContact O-N 3.06Å; L228-M230 PolarHBondContact O-N 2.83Å; L228-C231 PolarHBondContact O-N 3.02Å; L228-G232 PolarHBondContact O-N 2.02Å
229	S	96.7	Very high	96.8	Very high	1 Å²	1	38 Å²	38	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-65.3	-38.7	178.1	-53.4	0	0	0	0	112	Y188 F189 D225 V226 K227 Q233	Y188-S229 WeakPolarHBondContact CA-OG 3.49Å; Y188-S229 VanDerWaalsContact CB-CB 3.49Å; Y188-S229 WeakPolarHBondContact CB-OG 3.3Å; F189-S229 PolarHBondContact N-OG 3.22Å; D225-S229 WeakPolarHBondContact O-CB 3.21Å; D225-S229 PolarHBondContact O-N 3.14Å; D225-S229 PolarHBondContact O-OG 3.16Å; V226-S229 PolarHBondContact O-N 2.83Å; K227-S229 VanDerWaalsContact C-N 3.28Å; K227-S229 PolarHBondContact O-N 2.86Å; S229-Q233 VanDerWaalsContact O-CG 3.31Å; S229-Q233 WeakPolarHBondContact O-CG 2.97Å; S229-Q233 PolarHBondContact O-N 3.48Å; S229-Q233 PolarHBondContact O-NE2 2.78Å
230	M	95.9	Very high	96.7	Very high	67 Å²	67	34.9 Å²	34.9	33%	0.33	18%	0.179	S	C	.	.	H	α-helix	trans	-65.4	-39.3	174	-73.3	178.1	69.1	0	0	112.5	T184 V226 K227 L228 P234	T184-M230 HydrophobicContact CG2-CG 3.38Å; T184-M230 HydrophobicContact CG2-SD 4.03Å; V226-M230 HydrophobicContact CG1-CG 4.36Å; V226-M230 HydrophobicContact CG1-SD 3.88Å; V226-M230 VanDerWaalsContact O-CG 3.28Å; V226-M230 WeakPolarHBondContact O-CG 2.98Å; V226-M230 PolarHBondContact O-N 2.74Å; K227-M230 HydrophobicContact CD-SD 3.87Å; K227-M230 PolarHBondContact O-N 3.3Å; L228-M230 PolarHBondContact O-N 2.83Å; M230-P234 WeakPolarHBondContact O-CD 3.1Å
231	C	97.3	Very high	96.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-70.7	-39	-178.7	-68.5	0	0	0	0	112.2	A209 C216 K227 L228	A209-C231 HydrophobicContact CB-CB 3.99Å; A209-C231 WeakPolarHBondContact CB-O 3.41Å; C216-C231 WeakPolarHBondContact CA-SG 3.45Å; C216-C231 HydrophobicContact CB-CB 3.79Å; C216-C231 WeakPolarHBondContact CB-SG 3.3Å; C216-C231 WeakPolarHBondContact SG-CB 3.25Å; C216-C231 CovalentContact SG-SG 2.03Å; C216-C231 PolarHBondContact SG-SG 2.83Å; K227-C231 WeakPolarHBondContact O-CB 3.21Å; K227-C231 PolarHBondContact O-N 3.27Å; K227-C231 PolarHBondContact O-SG 2.77Å; L228-C231 PolarHBondContact O-N 3.02Å
232	G	97.9	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.6	-37.3	-178.7	0	0	0	0	0	114.1	L228 V235 G236 V237	L228-G232 PolarHBondContact O-N 2.02Å; G232-V235 CarbonylContact O-C 3.48Å; G232-V235 WeakPolarHBondContact O-CG2 3.36Å; G232-V235 PolarHBondContact O-N 2.8Å; G232-V235 VanDerWaalsContact O-N 3.17Å; G232-G236 PolarHBondContact O-N 3.28Å; G232-V237 VanDerWaalsContact O-CB 3.26Å; G232-V237 WeakPolarHBondContact O-CB 3.24Å; G232-V237 WeakPolarHBondContact O-CG2 3.22Å; G232-V237 PolarHBondContact O-N 2.77Å
233	Q	97.4	Very high	94.6	Very high	37 Å²	37	36.3 Å²	36.3	17%	0.173	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-60.6	-48.4	-172	-76.4	171.7	69.7	0	0	114.2	N186 G187 S229 V235 G236 L239	N186-Q233 VanDerWaalsContact CB-OE1 3.27Å; N186-Q233 PolarHBondContact ND2-OE1 3.11Å; G187-Q233 PolarHBondContact O-NE2 3Å; S229-Q233 VanDerWaalsContact O-CG 3.31Å; S229-Q233 WeakPolarHBondContact O-CG 2.97Å; S229-Q233 PolarHBondContact O-N 3.48Å; S229-Q233 PolarHBondContact O-NE2 2.78Å; Q233-V235 PolarHBondContact O-N 2.95Å; Q233-G236 PolarHBondContact O-N 2.82Å; Q233-L239 HydrophobicContact CG-CD1 4.43Å; Q233-L239 HydrophobicContact CG-CG 4.46Å
234	P	97.1	Very high	93.3	Very high	61 Å²	61	32.4 Å²	32.4	40%	0.396	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-62	-25.6	177.3	-24	34	0	0	0	114	H213 M230 G236	H213-P234 WeakPolarHBondContact CE1-CB 3.46Å; M230-P234 WeakPolarHBondContact O-CD 3.1Å; P234-G236 VanDerWaalsContact C-N 3.27Å
235	V	98.1	Very high	91.5	Very high	11 Å²	11	38.3 Å²	38.3	7%	0.067	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-94.4	19.5	176.9	-56.8	0	0	0	0	112.3	R204 Q208 A209 G232 Q233 V237	R204-V235 HydrophobicContact CB-CB 4.28Å; R204-V235 HydrophobicContact CB-CG2 3.88Å; R204-V235 WeakPolarHBondContact CD-O 3.24Å; R204-V235 PolarHBondContact NH1-O 3.25Å; Q208-V235 HydrophobicContact CB-CB 4.21Å; Q208-V235 HydrophobicContact CB-CG1 3.68Å; A209-V235 HydrophobicContact CB-CG1 3.97Å; A209-V235 HydrophobicContact CB-CG2 4.02Å; G232-V235 CarbonylContact O-C 3.48Å; G232-V235 WeakPolarHBondContact O-CG2 3.36Å; G232-V235 PolarHBondContact O-N 2.8Å; G232-V235 VanDerWaalsContact O-N 3.17Å; Q233-V235 PolarHBondContact O-N 2.95Å; V235-V237 HydrophobicContact CG2-CG2 4.24Å
236	G	97.9	Very high	89.3	Confident	35 Å²	35	43.1 Å²	43.1	36%	0.361	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	12.8	170.9	0	0	0	0	0	115.4	P173 G232 Q233 P234 K238	P173-G236 WeakPolarHBondContact CG-O 3.23Å; G232-G236 PolarHBondContact O-N 3.28Å; Q233-G236 PolarHBondContact O-N 2.82Å; P234-G236 VanDerWaalsContact C-N 3.27Å; G236-K238 PolarHBondContact O-N 2.99Å
237	V	98.4	Very high	87	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.03	23%	0.23	C	C	.	.			trans	-75.3	118.3	173.8	-178.4	0	0	0	0	110	P173 M175 A201 R204 I205 G232 V235	P173-V237 HydrophobicContact CB-CG2 4.33Å; P173-V237 WeakPolarHBondContact O-CA 3.28Å; M175-V237 HydrophobicContact CB-CG1 4.37Å; M175-V237 HydrophobicContact CG-CG1 3.53Å; M175-V237 HydrophobicContact SD-CG1 3.81Å; A201-V237 HydrophobicContact CB-CG1 3.79Å; A201-V237 HydrophobicContact CB-CG2 3.99Å; R204-V237 HydrophobicContact CB-CG2 4.45Å; I205-V237 HydrophobicContact CD1-CG2 4.45Å; I205-V237 HydrophobicContact CG1-CG2 4.21Å; G232-V237 VanDerWaalsContact O-CB 3.26Å; G232-V237 WeakPolarHBondContact O-CB 3.24Å; G232-V237 WeakPolarHBondContact O-CG2 3.22Å; G232-V237 PolarHBondContact O-N 2.77Å; V235-V237 HydrophobicContact CG2-CG2 4.24Å
238	K	97.6	Very high	84.3	Confident	125 Å²	125	47.4 Å²	47.4	54%	0.543	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	144.4	177.4	-63.6	-179.5	-178.9	176.2	0	111	P173 F174 M175 G236 Y240	P173-K238 PolarHBondContact O-N 3.45Å; F174-K238 CarbonylContact C-O 3.51Å; F174-K238 WeakPolarHBondContact CA-O 3.24Å; F174-K238 HydrophobicContact CB-CB 4.43Å; M175-K238 PolarHBondContact N-O 2.64Å; G236-K238 PolarHBondContact O-N 2.99Å; K238-Y240 HydrophobicContact CB-CD1 4.17Å; K238-Y240 HydrophobicContact CB-CE1 3.63Å; K238-Y240 HydrophobicContact CD-CE1 3.93Å; K238-Y240 HydrophobicContact CG-CE1 4.44Å
239	L	95.9	Very high	81.3	Confident	34 Å²	34	56 Å²	56	18%	0.178	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.2	174.2	-54.1	-175.5	0	0	0	108.6	M175 G187 F189 Q233	M175-L239 HydrophobicContact CB-CD2 3.99Å; M175-L239 HydrophobicContact SD-CD2 4.17Å; G187-L239 WeakPolarHBondContact O-CD1 3.31Å; F189-L239 HydrophobicContact CD2-CD2 4.13Å; F189-L239 HydrophobicContact CE2-CB 3.85Å; F189-L239 HydrophobicContact CE2-CD2 3.65Å; F189-L239 HydrophobicContact CE2-CG 4.26Å; F189-L239 HydrophobicContact CZ-CB 3.69Å; F189-L239 HydrophobicContact CZ-CD2 4.39Å; Q233-L239 HydrophobicContact CG-CD1 4.43Å; Q233-L239 HydrophobicContact CG-CG 4.46Å
240	Y	93.2	Very high	78.5	Confident	67 Å²	67	60.5 Å²	60.5	26%	0.263	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.1	176.9	-65	-16.8	0	0	0	110.9	H168 F174 M175 F189 K238 M242	H168-Y240 AromaticContact CD2-CD2 3.88Å; H168-Y240 AromaticContact CD2-CE2 3.87Å; H168-Y240 AromaticContact NE2-CD2 3.9Å; F174-Y240 HydrophobicContact CB-CD2 3.77Å; F174-Y240 HydrophobicContact CB-CE1 4.46Å; F174-Y240 HydrophobicContact CB-CE2 3.5Å; F174-Y240 HydrophobicContact CB-CG 4.34Å; F174-Y240 HydrophobicContact CD1-CD2 4.48Å; F174-Y240 AromaticContact CD1-CE2 3.96Å; F174-Y240 HydrophobicContact CD1-CE2 3.96Å; F174-Y240 AromaticContact CD2-CD2 3.61Å; F174-Y240 HydrophobicContact CD2-CD2 3.61Å; F174-Y240 AromaticContact CD2-CE2 3.92Å; F174-Y240 HydrophobicContact CD2-CE2 3.92Å; F174-Y240 HydrophobicContact CD2-CG 4.49Å; F174-Y240 HydrophobicContact CE2-CD2 4.31Å; F174-Y240 AromaticContact CG-CD2 3.71Å; F174-Y240 HydrophobicContact CG-CD2 3.71Å; F174-Y240 AromaticContact CG-CE2 3.53Å; F174-Y240 HydrophobicContact CG-CE2 3.53Å; M175-Y240 PolarHBondContact O-N 3.29Å; F189-Y240 VanDerWaalsContact CZ-O 3.27Å; F189-Y240 WeakPolarHBondContact CZ-O 3.41Å; K238-Y240 HydrophobicContact CB-CD1 4.17Å; K238-Y240 HydrophobicContact CB-CE1 3.63Å; K238-Y240 HydrophobicContact CD-CE1 3.93Å; K238-Y240 HydrophobicContact CG-CE1 4.44Å; Y240-M242 HydrophobicContact CD2-CE 4.25Å; Y240-M242 HydrophobicContact CG-CE 4.46Å
241	H	83.1	Confident	75.7	Confident	85 Å²	85	63.3 Å²	63.3	39%	0.394	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112.4	175.5	-176.6	-107.6	0	0	0	110.1	S179 V243 Y261	S179-H241 VanDerWaalsContact CB-CD2 3.41Å; S179-H241 WeakPolarHBondContact CB-CD2 3.25Å; H241-V243 WeakPolarHBondContact CE1-CG1 3.43Å; H241-Y261 AromaticContact CE1-CD1 3.98Å; H241-Y261 AromaticContact CE1-CE1 3.58Å; H241-Y261 AromaticContact NE2-CD1 3.41Å; H241-Y261 WeakPolarHBondContact NE2-CD1 3.44Å; H241-Y261 AromaticContact NE2-CE1 3.05Å; H241-Y261 WeakPolarHBondContact NE2-CE1 3.48Å
242	M	80.1	Confident	72.9	Confident	29 Å²	29	67.6 Å²	67.6	14%	0.143	36%	0.36	C	S	.	.			trans	-98.4	117.9	-177.7	-62.3	-60	179.1	0	0	110.9	V164 H168 I176 Y240 L262	V164-M242 HydrophobicContact CG1-CE 4.08Å; V164-M242 HydrophobicContact CG1-CG 4.13Å; V164-M242 HydrophobicContact CG1-SD 4.01Å; H168-M242 WeakPolarHBondContact CE1-CE 3.4Å; H168-M242 WeakPolarHBondContact NE2-CE 3.03Å; I176-M242 HydrophobicContact CB-CG 4.22Å; I176-M242 HydrophobicContact CG2-CE 3.47Å; I176-M242 VanDerWaalsContact CG2-CE 3.47Å; I176-M242 HydrophobicContact CG2-CG 3.86Å; Y240-M242 HydrophobicContact CD2-CE 4.25Å; Y240-M242 HydrophobicContact CG-CE 4.46Å; M242-L262 HydrophobicContact CB-CD1 3.92Å; M242-L262 HydrophobicContact CB-CG 4.3Å
243	V	77.7	Confident	69.9	Low	50 Å²	50	76 Å²	76	30%	0.303	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-126.4	142.6	172.5	-73.4	0	0	0	0	109.9	H241 L245 Y260 Y261	H241-V243 WeakPolarHBondContact CE1-CG1 3.43Å; V243-L245 HydrophobicContact CG2-CD2 3.88Å; V243-L245 HydrophobicContact CG2-CG 4.16Å; V243-L245 PolarHBondContact O-N 2.94Å; V243-Y260 CarbonylContact C-O 3.59Å; V243-Y260 VanDerWaalsContact CA-O 3.28Å; V243-Y260 WeakPolarHBondContact CA-O 3.46Å; V243-Y261 HydrophobicContact CG1-CD1 4.34Å
244	D	68.5	Low	67.3	Low	10 Å²	10	79 Å²	79	5%	0.053	40%	0.401	C	S	.	.			trans	-71.5	106.2	167.6	-178.5	16.9	0	0	0	109.3	N246 R258 Y260 L262 S306 H308	D244-N246 PolarHBondContact OD1-N 3.03Å; D244-R258 IonicContact OD2-NH2 3.92Å; D244-R258 PolarHBondContact OD2-NH2 3.11Å; D244-Y260 PolarHBondContact N-O 3.22Å; D244-Y260 WeakPolarHBondContact O-CB 3.23Å; D244-Y260 WeakPolarHBondContact O-CD1 3.34Å; D244-L262 HydrophobicContact CB-CD2 3.8Å; D244-S306 VanDerWaalsContact CB-OG 3.32Å; D244-S306 WeakPolarHBondContact CB-OG 3.41Å; D244-S306 PolarHBondContact OD2-OG 3.21Å; D244-H308 IonicContact OD1-CD2 2.85Å
245	L	58.8	Low	64.7	Low	133 Å²	133	84.9 Å²	84.9	70%	0.696	42%	0.416	S	S	*	.			trans	-88.1	-13.3	172.6	-63.3	177.1	0	0	0	112.2	V243 G247	V243-L245 HydrophobicContact CG2-CD2 3.88Å; V243-L245 HydrophobicContact CG2-CG 4.16Å; V243-L245 PolarHBondContact O-N 2.94Å; L245-G247 PolarHBondContact O-N 3.06Å
246	N	51	Low	62.4	Low	130 Å²	130	92.1 Å²	92.1	70%	0.695	45%	0.449	S	S	*	.			trans	-100.4	42.8	-171.5	-79.8	-0.9	0	0	0	112	D244 T248	D244-N246 PolarHBondContact OD1-N 3.03Å; N246-T248 PolarHBondContact O-N 3.12Å
247	G	49	Very low	60.3	Low	10 Å²	10	92.5 Å²	92.5	10%	0.103	44%	0.441	C	S	.	.			trans	-52.7	114.1	164.9	0	0	0	0	0	109.3	L245	L245-G247 PolarHBondContact O-N 3.06Å
248	T	41.5	Very low	58.2	Low	105 Å²	105	93.9 Å²	93.9	64%	0.644	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-50.2	139.8	-179.6	18.8	0	0	0	0	111.3	N246	N246-T248 PolarHBondContact O-N 3.12Å
249	F	34.4	Very low	56.7	Low	181 Å²	181	89.3 Å²	89.3	79%	0.794	43%	0.427	S	S	*	.	S	Bend	trans	-58.3	143.8	179.9	-152	-93.2	0	0	0	111.1	F251	F249-F251 AromaticContact CD2-CD2 3.95Å; F249-F251 HydrophobicContact CD2-CD2 3.95Å; F249-F251 HydrophobicContact CE2-CD2 4.42Å
250	P	38.3	Very low	55.8	Low	95 Å²	95	91.6 Å²	91.6	62%	0.617	43%	0.434	S	S	*	.	P	Polyproline II helix	cis	-85.7	130	8.3	31.9	-30.4	0	0	0	113.1	T252	P250-T252 PolarHBondContact O-N 3.38Å
251	F	36.1	Very low	55.3	Low	126 Å²	126	92.2 Å²	92.2	55%	0.553	44%	0.437	S	S	*	.			trans	-57.1	84.8	160.7	-83.6	-93.1	0	0	0	109	F249 W253	F249-F251 AromaticContact CD2-CD2 3.95Å; F249-F251 HydrophobicContact CD2-CD2 3.95Å; F249-F251 HydrophobicContact CE2-CD2 4.42Å; F251-W253 PolarHBondContact O-N 2.61Å
252	T	38.3	Very low	55.7	Low	90 Å²	90	88.5 Å²	88.5	55%	0.552	42%	0.42	S	S	*	.			trans	-77.7	108.4	146.6	53.7	0	0	0	0	105.2	P250 R254	P250-T252 PolarHBondContact O-N 3.38Å; T252-R254 PolarHBondContact O-N 2.92Å
253	W	34.9	Very low	56.3	Low	178 Å²	178	87.2 Å²	87.2	67%	0.674	41%	0.413	S	S	*	.			trans	-68	63.7	172.6	-153	81.8	0	0	0	108.8	F251 R255	F251-W253 PolarHBondContact O-N 2.61Å; W253-R255 HydrophobicContact CD2-CG 4.38Å; W253-R255 HydrophobicContact CE3-CB 4.26Å; W253-R255 HydrophobicContact CE3-CG 3.97Å; W253-R255 HydrophobicContact CH2-CG 3.97Å; W253-R255 HydrophobicContact CZ2-CG 4.27Å; W253-R255 HydrophobicContact CZ3-CB 4.36Å; W253-R255 HydrophobicContact CZ3-CG 3.77Å; W253-R255 PolarHBondContact O-N 2.63Å; W253-R255 VanDerWaalsContact O-N 3.11Å
254	R	43.6	Very low	56.9	Low	98 Å²	98	85 Å²	85	37%	0.37	40%	0.4	S	S	.	.			trans	-83.1	84	168.1	-64.5	-162.8	-169.4	-151.9	3	106.3	T252 E256 Q257	T252-R254 PolarHBondContact O-N 2.92Å; R254-E256 PolarHBondContact O-N 2.75Å; R254-Q257 HydrophobicContact CB-CB 4.36Å; R254-Q257 PolarHBondContact O-N 3.33Å
255	R	42.8	Very low	57.9	Low	186 Å²	186	88.1 Å²	88.1	70%	0.702	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-19.7	177.5	-127	-174.9	-178	168.6	2	113.8	W253	W253-R255 HydrophobicContact CD2-CG 4.38Å; W253-R255 HydrophobicContact CE3-CB 4.26Å; W253-R255 HydrophobicContact CE3-CG 3.97Å; W253-R255 HydrophobicContact CH2-CG 3.97Å; W253-R255 HydrophobicContact CZ2-CG 4.27Å; W253-R255 HydrophobicContact CZ3-CB 4.36Å; W253-R255 HydrophobicContact CZ3-CG 3.77Å; W253-R255 PolarHBondContact O-N 2.63Å; W253-R255 VanDerWaalsContact O-N 3.11Å
256	E	49.7	Very low	59.2	Low	162 Å²	162	87.3 Å²	87.3	76%	0.757	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-5.1	-173.1	-60.6	102.5	-152.6	0	0	116.3	R254	R254-E256 PolarHBondContact O-N 2.75Å
257	Q	52.5	Low	60.9	Low	44 Å²	44	83.1 Å²	83.1	21%	0.206	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-38	-161.4	-77.5	160.1	24.1	0	0	117.6	R254 H297	R254-Q257 HydrophobicContact CB-CB 4.36Å; R254-Q257 PolarHBondContact O-N 3.33Å; Q257-H297 VanDerWaalsContact CD-O 3.25Å; Q257-H297 PolarHBondContact OE1-O 2.82Å
258	R	55.3	Low	62.4	Low	34 Å²	34	84 Å²	84	13%	0.128	38%	0.382	C	S	.	.			trans	-90	123.7	-177	-177.4	166	168.3	160.1	1.6	112.5	D244 Y260 D303 D307	D244-R258 IonicContact OD2-NH2 3.92Å; D244-R258 PolarHBondContact OD2-NH2 3.11Å; R258-Y260 HydrophobicContact CB-CD1 4.47Å; R258-Y260 HydrophobicContact CB-CE1 3.89Å; R258-Y260 HydrophobicContact CB-CE2 4.12Å; R258-Y260 HydrophobicContact CG-CD1 3.89Å; R258-Y260 HydrophobicContact CG-CE1 3.61Å; R258-Y260 HydrophobicContact CG-CG 4.49Å; R258-Y260 WeakPolarHBondContact O-CD2 3.1Å; R258-Y260 VanDerWaalsContact O-CE2 3.25Å; R258-Y260 WeakPolarHBondContact O-CE2 3.37Å; R258-Y260 PolarHBondContact O-N 3.13Å; R258-Y260 VanDerWaalsContact O-N 3.16Å; R258-D303 VanDerWaalsContact CA-O 3.28Å; R258-D303 WeakPolarHBondContact CA-O 3.15Å; R258-D303 WeakPolarHBondContact CB-O 3.43Å; R258-D303 WeakPolarHBondContact CG-O 3.23Å; R258-D307 IonicContact CZ-OD2 3.04Å; R258-D307 IonicContact NH1-OD2 3.6Å; R258-D307 IonicContact NH2-OD2 3.45Å; R258-D307 PolarHBondContact NH2-OD2 3.29Å
259	N	67	Low	64.3	Low	28 Å²	28	83.5 Å²	83.5	15%	0.15	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-79.9	95.5	172.5	-174.3	-25.1	0	0	0	109.6	Y261 Q264 L304 S306	N259-Y261 PolarHBondContact O-N 2.79Å; N259-Y261 WeakPolarHBondContact OD1-CB 3.47Å; N259-Y261 WeakPolarHBondContact OD1-CD2 3.43Å; N259-Y261 PolarHBondContact OD1-N 3.28Å; N259-Y261 VanDerWaalsContact OD1-N 3.1Å; N259-Q264 VanDerWaalsContact ND2-CD 3.34Å; N259-Q264 PolarHBondContact ND2-NE2 2.57Å; N259-Q264 VanDerWaalsContact ND2-NE2 3.16Å; N259-Q264 PolarHBondContact ND2-OE1 3.01Å; N259-Q264 PolarHBondContact OD1-NE2 2.63Å; N259-L304 WeakPolarHBondContact CB-O 3.25Å; N259-S306 PolarHBondContact O-N 2.75Å; N259-S306 VanDerWaalsContact O-N 3.08Å
260	Y	75	Confident	66.1	Low	83 Å²	83	76.5 Å²	76.5	33%	0.325	35%	0.351	S	S	.	.			trans	-75.9	-1.1	-179.8	-56.9	-74.1	0	0	0	114.4	V243 D244 R258 L262	V243-Y260 CarbonylContact C-O 3.59Å; V243-Y260 VanDerWaalsContact CA-O 3.28Å; V243-Y260 WeakPolarHBondContact CA-O 3.46Å; D244-Y260 PolarHBondContact N-O 3.22Å; D244-Y260 WeakPolarHBondContact O-CB 3.23Å; D244-Y260 WeakPolarHBondContact O-CD1 3.34Å; R258-Y260 HydrophobicContact CB-CD1 4.47Å; R258-Y260 HydrophobicContact CB-CE1 3.89Å; R258-Y260 HydrophobicContact CB-CE2 4.12Å; R258-Y260 HydrophobicContact CG-CD1 3.89Å; R258-Y260 HydrophobicContact CG-CE1 3.61Å; R258-Y260 HydrophobicContact CG-CG 4.49Å; R258-Y260 WeakPolarHBondContact O-CD2 3.1Å; R258-Y260 VanDerWaalsContact O-CE2 3.25Å; R258-Y260 WeakPolarHBondContact O-CE2 3.37Å; R258-Y260 PolarHBondContact O-N 3.13Å; R258-Y260 VanDerWaalsContact O-N 3.16Å; Y260-L262 PolarHBondContact O-N 3.22Å
261	Y	84.7	Confident	67.8	Low	79 Å²	79	73.3 Å²	73.3	31%	0.31	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-74.4	130.2	-176.8	-63.5	-94.5	0	0	0	110.4	Y178 H241 V243 N259 Q264	Y178-Y261 AromaticContact CD2-CD1 3.54Å; Y178-Y261 HydrophobicContact CD2-CD1 3.54Å; Y178-Y261 HydrophobicContact CD2-CE1 4.18Å; Y178-Y261 AromaticContact CD2-CG 3.78Å; Y178-Y261 HydrophobicContact CD2-CG 3.78Å; Y178-Y261 AromaticContact CE2-CD1 3.31Å; Y178-Y261 HydrophobicContact CE2-CD1 3.31Å; Y178-Y261 AromaticContact CE2-CD2 3.82Å; Y178-Y261 HydrophobicContact CE2-CD2 3.82Å; Y178-Y261 AromaticContact CE2-CE1 3.64Å; Y178-Y261 HydrophobicContact CE2-CE1 3.64Å; Y178-Y261 HydrophobicContact CE2-CE2 4.17Å; Y178-Y261 AromaticContact CE2-CG 3.39Å; Y178-Y261 HydrophobicContact CE2-CG 3.39Å; H241-Y261 AromaticContact CE1-CD1 3.98Å; H241-Y261 AromaticContact CE1-CE1 3.58Å; H241-Y261 AromaticContact NE2-CD1 3.41Å; H241-Y261 WeakPolarHBondContact NE2-CD1 3.44Å; H241-Y261 AromaticContact NE2-CE1 3.05Å; H241-Y261 WeakPolarHBondContact NE2-CE1 3.48Å; V243-Y261 HydrophobicContact CG1-CD1 4.34Å; N259-Y261 PolarHBondContact O-N 2.79Å; N259-Y261 WeakPolarHBondContact OD1-CB 3.47Å; N259-Y261 WeakPolarHBondContact OD1-CD2 3.43Å; N259-Y261 PolarHBondContact OD1-N 3.28Å; N259-Y261 VanDerWaalsContact OD1-N 3.1Å; Y261-Q264 PolarHBondContact O-NE2 3.35Å
262	L	90.7	Very high	69.6	Low	8 Å²	8	71.1 Å²	71.1	4%	0.042	32%	0.318	C	S	.	.	S	Bend	trans	-76	-27.4	178.6	-54.2	-169.9	0	0	0	112.2	V164 M242 D244 Y260 S306 H308 L309 I310 S311	V164-L262 HydrophobicContact CG2-CD1 3.66Å; M242-L262 HydrophobicContact CB-CD1 3.92Å; M242-L262 HydrophobicContact CB-CG 4.3Å; D244-L262 HydrophobicContact CB-CD2 3.8Å; Y260-L262 PolarHBondContact O-N 3.22Å; L262-S306 VanDerWaalsContact CD2-OG 3.25Å; L262-S306 WeakPolarHBondContact CD2-OG 3.31Å; L262-H308 HydrophobicContact CD2-CB 4.17Å; L262-L309 WeakPolarHBondContact O-CD1 3.23Å; L262-I310 HydrophobicContact CB-CB 4.23Å; L262-I310 HydrophobicContact CB-CD1 3.79Å; L262-I310 HydrophobicContact CB-CG1 3.96Å; L262-I310 HydrophobicContact CD1-CD1 3.75Å; L262-I310 HydrophobicContact CD1-CG1 4.38Å; L262-I310 HydrophobicContact CG-CD1 4.44Å; L262-I310 WeakPolarHBondContact O-CA 3.33Å; L262-I310 WeakPolarHBondContact O-CB 3.21Å; L262-I310 PolarHBondContact O-N 2.79Å; L262-S311 PolarHBondContact O-N 3.37Å; L262-S311 VanDerWaalsContact O-N 3.11Å
263	F	92.4	Very high	71.1	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.009	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.8	177.1	-66.4	-101.8	0	0	0	108.4	L161 I176 Y178 A193 G194 I310 S311	L161-F263 HydrophobicContact CD1-CZ 4.21Å; I176-F263 HydrophobicContact CD1-CE2 4.44Å; I176-F263 HydrophobicContact CD1-CZ 4.1Å; I176-F263 HydrophobicContact CG1-CZ 4.25Å; Y178-F263 WeakPolarHBondContact CD2-O 3.34Å; A193-F263 HydrophobicContact CB-CB 4.2Å; G194-F263 WeakPolarHBondContact O-CD1 3.31Å; F263-I310 HydrophobicContact CD1-CG2 4.11Å; F263-I310 HydrophobicContact CD2-CD1 4.43Å; F263-I310 HydrophobicContact CE1-CB 4.43Å; F263-I310 HydrophobicContact CE1-CG2 3.59Å; F263-I310 HydrophobicContact CE2-CB 4.32Å; F263-I310 HydrophobicContact CE2-CD1 3.69Å; F263-I310 HydrophobicContact CE2-CG2 4.19Å; F263-I310 HydrophobicContact CZ-CB 4.27Å; F263-I310 HydrophobicContact CZ-CD1 3.95Å; F263-I310 HydrophobicContact CZ-CG2 3.64Å; F263-S311 WeakPolarHBondContact CA-OG 3.15Å; F263-S311 WeakPolarHBondContact CD1-OG 3.41Å
264	Q	91	Very high	72.5	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.019	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.8	-178.4	-61.6	-65.9	-8.1	0	0	111.6	A193 N259 Y261 L305 L309 S311 L312 H313	A193-Q264 WeakPolarHBondContact CB-O 3.37Å; N259-Q264 VanDerWaalsContact ND2-CD 3.34Å; N259-Q264 PolarHBondContact ND2-NE2 2.57Å; N259-Q264 VanDerWaalsContact ND2-NE2 3.16Å; N259-Q264 PolarHBondContact ND2-OE1 3.01Å; N259-Q264 PolarHBondContact OD1-NE2 2.63Å; Y261-Q264 PolarHBondContact O-NE2 3.35Å; Q264-L305 HydrophobicContact CG-CD2 4.12Å; Q264-L309 HydrophobicContact CG-CD1 3.41Å; Q264-L309 VanDerWaalsContact CG-CD1 3.41Å; Q264-S311 WeakPolarHBondContact CB-O 3.23Å; Q264-S311 PolarHBondContact N-O 3Å; Q264-L312 HydrophobicContact CB-CD2 4.07Å; Q264-L312 HydrophobicContact CG-CD2 4.19Å; Q264-H313 VanDerWaalsContact O-CB 3.22Å; Q264-H313 WeakPolarHBondContact O-CB 3.19Å; Q264-H313 PolarHBondContact O-N 3.44Å; Q264-H313 VanDerWaalsContact O-N 3.17Å
265	W	88.4	Confident	73.5	Confident	74 Å²	74	62.7 Å²	62.7	28%	0.28	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-19.4	177.3	74.2	-87	0	0	0	113.2	Y178 F180 S190 A193 H313 Y314	Y178-W265 HydrophobicContact CD1-CB 4.3Å; Y178-W265 AromaticContact CD1-CD1 3.5Å; Y178-W265 HydrophobicContact CD1-CG 4.12Å; Y178-W265 AromaticContact CD2-CD1 3.96Å; Y178-W265 AromaticContact CE1-CD1 3.14Å; Y178-W265 HydrophobicContact CE1-CG 4.05Å; Y178-W265 AromaticContact CE1-NE1 3.42Å; Y178-W265 AromaticContact CE2-CD1 3.58Å; Y178-W265 HydrophobicContact CG-CB 4.48Å; Y178-W265 AromaticContact CG-CD1 3.89Å; Y178-W265 AromaticContact CZ-CD1 3.16Å; Y178-W265 AromaticContact CZ-NE1 3.29Å; Y178-W265 VanDerWaalsContact CZ-NE1 3.29Å; Y178-W265 PolarHBondContact OH-NE1 3.44Å; Y178-W265 VanDerWaalsContact OH-NE1 3.15Å; F180-W265 HydrophobicContact CE1-CD2 4.4Å; F180-W265 HydrophobicContact CE1-CZ2 4.36Å; F180-W265 HydrophobicContact CE2-CG 4.45Å; F180-W265 HydrophobicContact CZ-CB 4.37Å; F180-W265 AromaticContact CZ-CD1 3.95Å; F180-W265 AromaticContact CZ-CD2 3.68Å; F180-W265 HydrophobicContact CZ-CD2 3.68Å; F180-W265 AromaticContact CZ-CE2 3.77Å; F180-W265 HydrophobicContact CZ-CE3 4.21Å; F180-W265 AromaticContact CZ-CG 3.76Å; F180-W265 HydrophobicContact CZ-CG 3.76Å; F180-W265 HydrophobicContact CZ-CZ2 4.35Å; F180-W265 AromaticContact CZ-NE1 3.91Å; S190-W265 WeakPolarHBondContact OG-CB 3.15Å; A193-W265 HydrophobicContact CB-CB 4.18Å; W265-H313 PolarHBondContact O-ND1 3.31Å; W265-Y314 VanDerWaalsContact O-CE2 3.3Å; W265-Y314 WeakPolarHBondContact O-CE2 3.19Å
266	R	86.4	Confident	74.7	Confident	116 Å²	116	58.8 Å²	58.8	44%	0.438	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	158.9	-179.8	-62.8	-174.6	176.8	-176.8	2.7	111.2	E271	R266-E271 HydrophobicContact CB-CG 4.35Å; R266-E271 WeakPolarHBondContact CD-OE1 3.47Å; R266-E271 IonicContact CZ-OE1 3.87Å; R266-E271 IonicContact NE-OE1 2.66Å; R266-E271 IonicContact NH1-OE1 2.65Å; R266-E271 PolarHBondContact NH1-OE1 2.86Å
267	S	86.9	Confident	75.6	Confident	42 Å²	42	57.3 Å²	57.3	29%	0.294	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135	175.6	61	0	0	0	0	110.5	E269 G270 E271	S267-E269 VanDerWaalsContact C-N 3.26Å; S267-E269 PolarHBondContact O-N 2.66Å; S267-G270 PolarHBondContact O-N 3.31Å; S267-G270 WeakPolarHBondContact OG-CA 3.39Å; S267-G270 PolarHBondContact OG-N 3.16Å; S267-G270 VanDerWaalsContact OG-N 3.13Å; S267-E271 PolarHBondContact O-N 3.07Å; S267-E271 VanDerWaalsContact O-N 3.11Å
268	L	81.5	Confident	76.1	Confident	29 Å²	29	58.3 Å²	58.3	15%	0.152	29%	0.293	C	S	.	.	H	α-helix	trans	-54.6	-45.5	174.7	-173.5	62.8	0	0	0	111.4	G270 E271 F272 L305 L312 I315 L323	L268-G270 VanDerWaalsContact C-N 3.32Å; L268-G270 PolarHBondContact O-N 3.41Å; L268-E271 PolarHBondContact O-N 3.24Å; L268-F272 HydrophobicContact CD1-CD2 3.89Å; L268-F272 HydrophobicContact CD1-CE2 3.34Å; L268-F272 HydrophobicContact CD1-CZ 4.27Å; L268-F272 HydrophobicContact CD2-CE2 4.11Å; L268-F272 HydrophobicContact CG-CD2 3.77Å; L268-F272 HydrophobicContact CG-CE2 3.53Å; L268-F272 WeakPolarHBondContact O-CD2 3.42Å; L268-F272 PolarHBondContact O-N 3.48Å; L268-L305 HydrophobicContact CD1-CD1 3.43Å; L268-L305 VanDerWaalsContact CD1-CD1 3.43Å; L268-L312 HydrophobicContact CB-CD2 4.43Å; L268-L312 HydrophobicContact CD1-CD2 3.96Å; L268-L312 HydrophobicContact CD2-CD1 4.22Å; L268-I315 HydrophobicContact CB-CD1 4.05Å; L268-L323 HydrophobicContact CD2-CD2 4.35Å
269	E	79.5	Confident	76.3	Confident	95 Å²	95	66.3 Å²	66.3	44%	0.444	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-40	176.3	-177	175.4	-172.6	0	0	112.3	S267 E271 F272 I273	S267-E269 VanDerWaalsContact C-N 3.26Å; S267-E269 PolarHBondContact O-N 2.66Å; E269-E271 VanDerWaalsContact C-N 3.33Å; E269-E271 PolarHBondContact O-N 2.88Å; E269-F272 PolarHBondContact O-N 3.4Å; E269-I273 HydrophobicContact CG-CD1 3.63Å; E269-I273 HydrophobicContact CG-CG1 4.14Å; E269-I273 VanDerWaalsContact O-CB 3.32Å; E269-I273 WeakPolarHBondContact O-CB 3.2Å; E269-I273 WeakPolarHBondContact O-CG1 3.39Å; E269-I273 PolarHBondContact O-N 2.76Å
270	G	73.7	Confident	75.5	Confident	34 Å²	34	74.6 Å²	74.6	35%	0.351	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-38	177.7	0	0	0	0	0	112.7	S267 L268 S274	S267-G270 PolarHBondContact O-N 3.31Å; S267-G270 WeakPolarHBondContact OG-CA 3.39Å; S267-G270 PolarHBondContact OG-N 3.16Å; S267-G270 VanDerWaalsContact OG-N 3.13Å; L268-G270 VanDerWaalsContact C-N 3.32Å; L268-G270 PolarHBondContact O-N 3.41Å; G270-S274 PolarHBondContact O-N 3.27Å
271	E	72.9	Confident	74.2	Confident	28 Å²	28	74.8 Å²	74.8	13%	0.131	38%	0.378	C	S	.	.	H	α-helix	trans	-67.4	-45.9	175.2	-64.9	-61.8	132.9	0	0	110.9	R266 S267 L268 E269 S274 L304	R266-E271 HydrophobicContact CB-CG 4.35Å; R266-E271 WeakPolarHBondContact CD-OE1 3.47Å; R266-E271 IonicContact CZ-OE1 3.87Å; R266-E271 IonicContact NE-OE1 2.66Å; R266-E271 IonicContact NH1-OE1 2.65Å; R266-E271 PolarHBondContact NH1-OE1 2.86Å; S267-E271 PolarHBondContact O-N 3.07Å; S267-E271 VanDerWaalsContact O-N 3.11Å; L268-E271 PolarHBondContact O-N 3.24Å; E269-E271 VanDerWaalsContact C-N 3.33Å; E269-E271 PolarHBondContact O-N 2.88Å; E271-S274 WeakPolarHBondContact O-CB 3.32Å; E271-S274 PolarHBondContact O-N 3.13Å; E271-S274 PolarHBondContact O-OG 2.94Å; E271-L304 HydrophobicContact CB-CD1 4.22Å; E271-L304 HydrophobicContact CB-CD2 3.85Å; E271-L304 HydrophobicContact CB-CG 4.29Å
272	F	74.3	Confident	72.3	Confident	80 Å²	80	75.2 Å²	75.2	35%	0.351	40%	0.398	S	S	.	.	H	α-helix	trans	-69.9	-37	177.8	-75.3	-68.5	0	0	0	114.2	L268 E269 S274 L275 V276 P301 L304	L268-F272 HydrophobicContact CD1-CD2 3.89Å; L268-F272 HydrophobicContact CD1-CE2 3.34Å; L268-F272 HydrophobicContact CD1-CZ 4.27Å; L268-F272 HydrophobicContact CD2-CE2 4.11Å; L268-F272 HydrophobicContact CG-CD2 3.77Å; L268-F272 HydrophobicContact CG-CE2 3.53Å; L268-F272 WeakPolarHBondContact O-CD2 3.42Å; L268-F272 PolarHBondContact O-N 3.48Å; E269-F272 PolarHBondContact O-N 3.4Å; F272-S274 PolarHBondContact O-N 3.48Å; F272-L275 HydrophobicContact CD1-CD1 3.79Å; F272-L275 HydrophobicContact CE1-CD1 4.43Å; F272-L275 VanDerWaalsContact O-CB 3.23Å; F272-L275 WeakPolarHBondContact O-CB 3.22Å; F272-L275 WeakPolarHBondContact O-CG 2.9Å; F272-L275 PolarHBondContact O-N 3.42Å; F272-V276 PolarHBondContact O-N 2.8Å; F272-P301 HydrophobicContact CE1-CB 4.39Å; F272-L304 HydrophobicContact CD1-CD2 3.65Å; F272-L304 HydrophobicContact CD2-CD2 4.3Å; F272-L304 HydrophobicContact CE1-CD2 3.56Å; F272-L304 HydrophobicContact CE2-CD2 4.27Å; F272-L304 HydrophobicContact CG-CD2 3.99Å; F272-L304 HydrophobicContact CZ-CD2 3.88Å
273	I	69.8	Low	69.8	Low	81 Å²	81	84.5 Å²	84.5	42%	0.415	44%	0.438	S	S	.	.	H	α-helix	trans	-59.6	-34.9	176.7	-76.9	172.8	0	0	0	110.6	E269 L275 V276 H277	E269-I273 HydrophobicContact CG-CD1 3.63Å; E269-I273 HydrophobicContact CG-CG1 4.14Å; E269-I273 VanDerWaalsContact O-CB 3.32Å; E269-I273 WeakPolarHBondContact O-CB 3.2Å; E269-I273 WeakPolarHBondContact O-CG1 3.39Å; E269-I273 PolarHBondContact O-N 2.76Å; I273-L275 PolarHBondContact O-N 2.91Å; I273-L275 VanDerWaalsContact O-N 3.16Å; I273-V276 PolarHBondContact O-N 3.12Å; I273-H277 PolarHBondContact O-N 2.92Å
274	S	65.4	Low	67.1	Low	60 Å²	60	91.7 Å²	91.7	42%	0.42	48%	0.476	S	S	.	.	H	α-helix	trans	-61	-23.4	177.1	81.3	0	0	0	0	113.2	G270 E271 F272	G270-S274 PolarHBondContact O-N 3.27Å; E271-S274 WeakPolarHBondContact O-CB 3.32Å; E271-S274 PolarHBondContact O-N 3.13Å; E271-S274 PolarHBondContact O-OG 2.94Å; F272-S274 PolarHBondContact O-N 3.48Å
275	L	64.3	Low	64.4	Low	47 Å²	47	96 Å²	96	25%	0.246	51%	0.507	C	S	.	.	H	α-helix	trans	-83.5	-42.1	177.5	-46.5	178.1	0	0	0	112.2	F272 I273 L298 L304	F272-L275 HydrophobicContact CD1-CD1 3.79Å; F272-L275 HydrophobicContact CE1-CD1 4.43Å; F272-L275 VanDerWaalsContact O-CB 3.23Å; F272-L275 WeakPolarHBondContact O-CB 3.22Å; F272-L275 WeakPolarHBondContact O-CG 2.9Å; F272-L275 PolarHBondContact O-N 3.42Å; I273-L275 PolarHBondContact O-N 2.91Å; I273-L275 VanDerWaalsContact O-N 3.16Å; L275-L298 HydrophobicContact CD1-CD2 3.22Å; L275-L298 HydrophobicContact CD1-CG 4.44Å; L275-L298 HydrophobicContact CD2-CB 3.58Å; L275-L298 HydrophobicContact CD2-CD1 3.49Å; L275-L298 VanDerWaalsContact CD2-CD1 3.49Å; L275-L298 HydrophobicContact CD2-CD2 3.19Å; L275-L298 HydrophobicContact CD2-CG 3.53Å; L275-L298 HydrophobicContact CG-CD2 3.73Å; L275-L304 HydrophobicContact CD1-CD1 4.41Å; L275-L304 HydrophobicContact CD1-CD2 4.03Å; L275-L304 HydrophobicContact CD2-CD1 4.31Å
276	V	67.9	Low	61.7	Low	105 Å²	105	102.7 Å²	102.7	64%	0.636	54%	0.538	S	S	*	.	H	α-helix	trans	-73.4	-34.6	179.8	-178.1	0	0	0	0	111	F272 I273	F272-V276 PolarHBondContact O-N 2.8Å; I273-V276 PolarHBondContact O-N 3.12Å
277	H	68.3	Low	58.9	Low	131 Å²	131	100.3 Å²	100.3	61%	0.606	54%	0.539	S	S	*	.	S	Bend	trans	-127	76.4	179.9	-63.3	-46.6	0	0	0	110.5	I273 K279	I273-H277 PolarHBondContact O-N 2.92Å; H277-K279 PolarHBondContact O-N 3.38Å
278	P	62.8	Low	56.6	Low	64 Å²	64	104.6 Å²	104.6	42%	0.416	57%	0.566	S	S	.	*			trans	-57.5	118.8	172.7	-2.1	7.3	0	0	0	108.3	K280 A295	P278-K280 PolarHBondContact O-N 3.11Å; P278-A295 HydrophobicContact CB-CB 4.48Å
279	K	60.3	Low	54.2	Low	203 Å²	203	109.4 Å²	109.4	88%	0.883	60%	0.597	S	S	*	*			trans	-57.4	119.5	171.7	-72	-176.4	179.5	177.5	0	107	H277 S281	H277-K279 PolarHBondContact O-N 3.38Å; K279-S281 PolarHBondContact O-N 2.65Å
280	K	49.1	Very low	51.8	Low	201 Å²	201	109.4 Å²	109.4	87%	0.874	61%	0.607	S	S	*	*			trans	-52.5	113.7	166.5	-74.3	-179.1	178.8	174.8	0	106.4	P278 A282	P278-K280 PolarHBondContact O-N 3.11Å; K280-A282 PolarHBondContact O-N 2.7Å; K280-A282 VanDerWaalsContact O-N 3.17Å
281	S	48.9	Very low	49.7	Very low	88 Å²	88	113.1 Å²	113.1	62%	0.615	62%	0.623	S	S	*	*			trans	-50.9	128.1	178.7	58.2	0	0	0	0	108.2	K279 K283	K279-S281 PolarHBondContact O-N 2.65Å; S281-K283 PolarHBondContact O-N 3.28Å
282	A	42.8	Very low	47.8	Very low	88 Å²	88	118 Å²	118	73%	0.727	66%	0.66	S	S	*	*			trans	-55.4	117.3	175.6	0	0	0	0	0	107.6	K280 N284	K280-A282 PolarHBondContact O-N 2.7Å; K280-A282 VanDerWaalsContact O-N 3.17Å; A282-N284 PolarHBondContact O-N 3.39Å
283	K	38.9	Very low	45.8	Very low	203 Å²	203	120.9 Å²	120.9	88%	0.883	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	28.1	-178.9	-80.6	-174.5	171.9	-178.2	0	114.8	S281	S281-K283 PolarHBondContact O-N 3.28Å
284	N	35	Very low	44.2	Very low	152 Å²	152	122.2 Å²	122.2	81%	0.813	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	22.3	-172.6	-78.8	-3.6	0	0	0	115.2	A282	A282-N284 PolarHBondContact O-N 3.39Å
285	S	34.5	Very low	43	Very low	95 Å²	95	122.8 Å²	122.8	66%	0.664	69%	0.693	S	S	*	*			trans	-95.8	97.8	157	-179.9	0	0	0	0	108.8	S287	S285-S287 PolarHBondContact O-N 3.43Å; S285-S287 PolarHBondContact OG-OG 3.45Å
286	K	31.5	Very low	41.7	Very low	214 Å²	214	125.7 Å²	125.7	93%	0.93	71%	0.709	S	S	*	*			trans	-70.7	73.3	166.1	-69.2	-179	-179.8	175.8	0	108.9
287	S	29.2	Very low	40.5	Very low	66 Å²	66	123.5 Å²	123.5	46%	0.462	69%	0.692	S	S	.	*			trans	-124.2	111.6	159.8	60.6	0	0	0	0	108.3	S285 T289	S285-S287 PolarHBondContact O-N 3.43Å; S285-S287 PolarHBondContact OG-OG 3.45Å; S287-T289 PolarHBondContact O-N 2.52Å
288	P	38.3	Very low	39.4	Very low	132 Å²	132	119.8 Å²	119.8	86%	0.857	68%	0.676	S	S	*	*	S	Bend	trans	-84.5	56.7	-175.8	35.2	-33.5	0	0	0	110.8
289	T	30.2	Very low	38.7	Very low	131 Å²	131	123.1 Å²	123.1	80%	0.804	69%	0.686	S	S	*	*			trans	-159.1	67.8	166	48.3	0	0	0	0	109.1	S287	S287-T289 PolarHBondContact O-N 2.52Å
290	S	29	Very low	38.6	Very low	95 Å²	95	117.2 Å²	117.2	66%	0.664	66%	0.664	S	S	*	*			trans	-155.4	110.4	158.7	-170.9	0	0	0	0	108.9	S292	S290-S292 PolarHBondContact O-N 2.91Å
291	T	29.5	Very low	39	Very low	111 Å²	111	111.4 Å²	111.4	68%	0.681	65%	0.647	S	S	*	*			trans	-45.4	126.2	169.3	42.8	0	0	0	0	110.7	K293	T291-K293 PolarHBondContact O-N 3.42Å
292	S	33.4	Very low	39.6	Very low	130 Å²	130	110 Å²	110	91%	0.909	64%	0.636	S	S	*	*	S	Bend	trans	-59.7	54.4	172.3	174.7	0	0	0	0	113.7	S290	S290-S292 PolarHBondContact O-N 2.91Å
293	K	32.6	Very low	40.6	Very low	141 Å²	141	108.7 Å²	108.7	61%	0.613	62%	0.617	S	S	*	*			trans	-118.5	7.6	-175	-78.6	-168.9	175.3	-175.8	0	115.1	T291 A295 H297	T291-K293 PolarHBondContact O-N 3.42Å; K293-A295 VanDerWaalsContact C-N 3.31Å; K293-A295 PolarHBondContact O-N 3.22Å; K293-H297 PolarHBondContact O-CD2 3.09Å; K293-H297 PolarHBondContact O-NE2 3.31Å
294	T	36.6	Very low	42.1	Very low	110 Å²	110	99.4 Å²	99.4	68%	0.675	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	3.2	-172.5	60.9	0	0	0	0	116.1
295	A	39.5	Very low	44.2	Very low	72 Å²	72	93.4 Å²	93.4	60%	0.595	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-11.4	-175.4	0	0	0	0	0	114.9	P278 K293	P278-A295 HydrophobicContact CB-CB 4.48Å; K293-A295 VanDerWaalsContact C-N 3.31Å; K293-A295 PolarHBondContact O-N 3.22Å
296	D	37.4	Very low	46.4	Very low	108 Å²	108	89.1 Å²	89.1	58%	0.578	52%	0.515	S	S	*	.	S	Bend	trans	-116.5	29.4	-171.1	-155.8	19	0	0	0	111.8	H299	D296-H299 PolarHBondContact O-CD2 3.34Å; D296-H299 PolarHBondContact O-CE1 3.11Å; D296-H299 PolarHBondContact O-NE2 2.84Å; D296-H299 IonicContact OD1-CE1 2.62Å; D296-H299 PolarHBondContact OD1-CE1 3.31Å; D296-H299 VanDerWaalsContact OD1-CE1 3.31Å; D296-H299 IonicContact OD1-ND1 3.63Å; D296-H299 IonicContact OD2-CE1 3.5Å
297	H	42	Very low	48.8	Very low	59 Å²	59	83.1 Å²	83.1	27%	0.273	49%	0.493	S	S	.	.			trans	-121.4	21.2	-167.5	-65.9	-26.1	0	0	0	115.3	Q257 K293	Q257-H297 VanDerWaalsContact CD-O 3.25Å; Q257-H297 PolarHBondContact OE1-O 2.82Å; K293-H297 PolarHBondContact O-CD2 3.09Å; K293-H297 PolarHBondContact O-NE2 3.31Å
298	L	46.1	Very low	51.4	Low	53 Å²	53	84.4 Å²	84.4	28%	0.277	49%	0.492	S	S	.	.			trans	-115	70.4	154.7	-133.4	112.5	0	0	0	107.9	L275 D300 L304	L275-L298 HydrophobicContact CD1-CD2 3.22Å; L275-L298 HydrophobicContact CD1-CG 4.44Å; L275-L298 HydrophobicContact CD2-CB 3.58Å; L275-L298 HydrophobicContact CD2-CD1 3.49Å; L275-L298 VanDerWaalsContact CD2-CD1 3.49Å; L275-L298 HydrophobicContact CD2-CD2 3.19Å; L275-L298 HydrophobicContact CD2-CG 3.53Å; L275-L298 HydrophobicContact CG-CD2 3.73Å; L298-D300 PolarHBondContact O-N 3.19Å; L298-L304 HydrophobicContact CD1-CD1 4.45Å; L298-L304 HydrophobicContact CD2-CB 4.29Å; L298-L304 HydrophobicContact CD2-CD1 4.46Å
299	H	48.1	Very low	53.9	Low	134 Å²	134	78.8 Å²	78.8	62%	0.62	45%	0.454	S	S	*	.			trans	-68.9	-22.7	177.9	-77.3	-49.5	0	0	0	111.6	D296	D296-H299 PolarHBondContact O-CD2 3.34Å; D296-H299 PolarHBondContact O-CE1 3.11Å; D296-H299 PolarHBondContact O-NE2 2.84Å; D296-H299 IonicContact OD1-CE1 2.62Å; D296-H299 PolarHBondContact OD1-CE1 3.31Å; D296-H299 VanDerWaalsContact OD1-CE1 3.31Å; D296-H299 IonicContact OD1-ND1 3.63Å; D296-H299 IonicContact OD2-CE1 3.5Å
300	D	57.1	Low	57	Low	79 Å²	79	72.6 Å²	72.6	42%	0.422	42%	0.416	S	S	.	.			trans	-129.1	117.2	176	-165.6	-12.6	0	0	0	111.3	L298 S302 D303	L298-D300 PolarHBondContact O-N 3.19Å; D300-S302 PolarHBondContact O-N 2.82Å; D300-S302 VanDerWaalsContact OD1-CB 3.3Å; D300-S302 WeakPolarHBondContact OD1-CB 3.11Å; D300-S302 PolarHBondContact OD1-N 3.32Å; D300-S302 PolarHBondContact OD1-OG 3Å; D300-S302 VanDerWaalsContact OD1-OG 3.13Å; D300-S302 PolarHBondContact OD2-OG 2.76Å; D300-D303 PolarHBondContact O-N 3.34Å; D300-D303 VanDerWaalsContact O-N 3.1Å
301	P	57.8	Low	60.2	Low	79 Å²	79	68.1 Å²	68.1	51%	0.513	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-52.2	-20.6	169.1	-26.6	35.2	0	0	0	114.5	F272 D303 L304	F272-P301 HydrophobicContact CE1-CB 4.39Å; P301-D303 PolarHBondContact O-N 2.93Å; P301-L304 WeakPolarHBondContact O-CB 3.46Å; P301-L304 PolarHBondContact O-N 2.97Å
302	S	62.3	Low	63.3	Low	57 Å²	57	63.1 Å²	63.1	40%	0.399	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-63.2	-26.3	175.9	76.5	0	0	0	0	113.4	D300 L304	D300-S302 PolarHBondContact O-N 2.82Å; D300-S302 VanDerWaalsContact OD1-CB 3.3Å; D300-S302 WeakPolarHBondContact OD1-CB 3.11Å; D300-S302 PolarHBondContact OD1-N 3.32Å; D300-S302 PolarHBondContact OD1-OG 3Å; D300-S302 VanDerWaalsContact OD1-OG 3.13Å; D300-S302 PolarHBondContact OD2-OG 2.76Å; S302-L304 VanDerWaalsContact C-N 3.28Å; S302-L304 PolarHBondContact O-N 3.21Å
303	D	63.2	Low	66.3	Low	62 Å²	62	57.6 Å²	57.6	33%	0.332	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-79.1	-9.6	-178.9	-76.4	-34.4	0	0	0	113.4	R258 D300 P301 L305	R258-D303 VanDerWaalsContact CA-O 3.28Å; R258-D303 WeakPolarHBondContact CA-O 3.15Å; R258-D303 WeakPolarHBondContact CB-O 3.43Å; R258-D303 WeakPolarHBondContact CG-O 3.23Å; D300-D303 PolarHBondContact O-N 3.34Å; D300-D303 VanDerWaalsContact O-N 3.1Å; P301-D303 PolarHBondContact O-N 2.93Å; D303-L305 PolarHBondContact O-N 3.39Å
304	L	70.2	Confident	69.3	Low	8 Å²	8	55.9 Å²	55.9	4%	0.042	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-69.6	-36.4	-170.9	-174.7	66.3	0	0	0	113	N259 E271 F272 L275 L298 P301 S302	N259-L304 WeakPolarHBondContact CB-O 3.25Å; E271-L304 HydrophobicContact CB-CD1 4.22Å; E271-L304 HydrophobicContact CB-CD2 3.85Å; E271-L304 HydrophobicContact CB-CG 4.29Å; F272-L304 HydrophobicContact CD1-CD2 3.65Å; F272-L304 HydrophobicContact CD2-CD2 4.3Å; F272-L304 HydrophobicContact CE1-CD2 3.56Å; F272-L304 HydrophobicContact CE2-CD2 4.27Å; F272-L304 HydrophobicContact CG-CD2 3.99Å; F272-L304 HydrophobicContact CZ-CD2 3.88Å; L275-L304 HydrophobicContact CD1-CD1 4.41Å; L275-L304 HydrophobicContact CD1-CD2 4.03Å; L275-L304 HydrophobicContact CD2-CD1 4.31Å; L298-L304 HydrophobicContact CD1-CD1 4.45Å; L298-L304 HydrophobicContact CD2-CB 4.29Å; L298-L304 HydrophobicContact CD2-CD1 4.46Å; P301-L304 WeakPolarHBondContact O-CB 3.46Å; P301-L304 PolarHBondContact O-N 2.97Å; S302-L304 VanDerWaalsContact C-N 3.28Å; S302-L304 PolarHBondContact O-N 3.21Å
305	L	79.4	Confident	72.1	Confident	26 Å²	26	50.9 Å²	50.9	14%	0.136	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-135.2	152	-171.2	-63.7	174.5	0	0	0	110.4	Q264 L268 D303 D307 L309 L312	Q264-L305 HydrophobicContact CG-CD2 4.12Å; L268-L305 HydrophobicContact CD1-CD1 3.43Å; L268-L305 VanDerWaalsContact CD1-CD1 3.43Å; D303-L305 PolarHBondContact O-N 3.39Å; L305-D307 PolarHBondContact O-N 2.92Å; L305-L309 HydrophobicContact CD1-CD2 4.22Å; L305-L312 HydrophobicContact CD1-CD2 4.36Å
306	S	82	Confident	74.7	Confident	4 Å²	4	52 Å²	52	3%	0.028	27%	0.266	C	S	.	.			trans	-55.4	134.8	171.2	168.6	0	0	0	0	112.2	D244 N259 L262 H308 L309	D244-S306 VanDerWaalsContact CB-OG 3.32Å; D244-S306 WeakPolarHBondContact CB-OG 3.41Å; D244-S306 PolarHBondContact OD2-OG 3.21Å; N259-S306 PolarHBondContact O-N 2.75Å; N259-S306 VanDerWaalsContact O-N 3.08Å; L262-S306 VanDerWaalsContact CD2-OG 3.25Å; L262-S306 WeakPolarHBondContact CD2-OG 3.31Å; S306-H308 PolarHBondContact O-N 2.96Å; S306-H308 PolarHBondContact OG-N 3.2Å; S306-H308 VanDerWaalsContact OG-N 3.11Å; S306-L309 VanDerWaalsContact O-CB 3.28Å; S306-L309 WeakPolarHBondContact O-CB 3.41Å; S306-L309 PolarHBondContact O-N 2.72Å; S306-L309 VanDerWaalsContact O-N 3.07Å
307	D	80	Confident	77.5	Confident	88 Å²	88	48.4 Å²	48.4	47%	0.471	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.9	171.6	-61.5	-50.5	0	0	0	111.9	R258 L305 L309	R258-D307 IonicContact CZ-OD2 3.04Å; R258-D307 IonicContact NH1-OD2 3.6Å; R258-D307 IonicContact NH2-OD2 3.45Å; R258-D307 PolarHBondContact NH2-OD2 3.29Å; L305-D307 PolarHBondContact O-N 2.92Å; D307-L309 VanDerWaalsContact C-N 3.32Å; D307-L309 PolarHBondContact O-N 2.94Å
308	H	85.6	Confident	80	Confident	94 Å²	94	52.3 Å²	52.3	44%	0.435	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	24.7	176.5	-61	-59.1	0	0	0	114.4	D244 L262 S306 I310	D244-H308 IonicContact OD1-CD2 2.85Å; L262-H308 HydrophobicContact CD2-CB 4.17Å; S306-H308 PolarHBondContact O-N 2.96Å; S306-H308 PolarHBondContact OG-N 3.2Å; S306-H308 VanDerWaalsContact OG-N 3.11Å; H308-I310 PolarHBondContact O-N 3.48Å
309	L	89.4	Confident	82.3	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.073	27%	0.267	C	S	.	.			trans	-47.8	130.1	179.2	-175.7	71.3	0	0	0	112.1	I157 N160 L262 Q264 L305 S306 D307 L312	I157-L309 HydrophobicContact CD1-CB 4.43Å; I157-L309 WeakPolarHBondContact CD1-O 3.2Å; N160-L309 WeakPolarHBondContact CB-O 3.41Å; N160-L309 PolarHBondContact ND2-O 2.96Å; L262-L309 WeakPolarHBondContact O-CD1 3.23Å; Q264-L309 HydrophobicContact CG-CD1 3.41Å; Q264-L309 VanDerWaalsContact CG-CD1 3.41Å; L305-L309 HydrophobicContact CD1-CD2 4.22Å; S306-L309 VanDerWaalsContact O-CB 3.28Å; S306-L309 WeakPolarHBondContact O-CB 3.41Å; S306-L309 PolarHBondContact O-N 2.72Å; S306-L309 VanDerWaalsContact O-N 3.07Å; D307-L309 VanDerWaalsContact C-N 3.32Å; D307-L309 PolarHBondContact O-N 2.94Å; L309-L312 HydrophobicContact CD1-CD2 4.46Å; L309-L312 HydrophobicContact CD2-CD1 3.91Å; L309-L312 HydrophobicContact CD2-CD2 3.71Å; L309-L312 HydrophobicContact CD2-CG 3.68Å; L309-L312 HydrophobicContact CG-CG 4.49Å
310	I	95.1	Very high	84.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.			trans	-96.7	-44.9	178.8	-71.3	173	0	0	0	111	V156 I157 N160 L161 V164 L262 F263 H308	V156-I310 CarbonylContact C-O 3.59Å; V156-I310 VanDerWaalsContact CA-O 3.31Å; V156-I310 WeakPolarHBondContact CA-O 3.09Å; V156-I310 HydrophobicContact CG1-CG2 4.25Å; V156-I310 WeakPolarHBondContact CG1-O 3.48Å; I157-I310 PolarHBondContact N-O 3.26Å; N160-I310 HydrophobicContact CB-CG1 4.11Å; L161-I310 HydrophobicContact CB-CG2 3.94Å; L161-I310 HydrophobicContact CD1-CD1 4.21Å; L161-I310 HydrophobicContact CD1-CG2 4.07Å; L161-I310 HydrophobicContact CG-CG2 4.45Å; V164-I310 HydrophobicContact CB-CD1 4.25Å; V164-I310 HydrophobicContact CG2-CD1 3.88Å; L262-I310 HydrophobicContact CB-CB 4.23Å; L262-I310 HydrophobicContact CB-CD1 3.79Å; L262-I310 HydrophobicContact CB-CG1 3.96Å; L262-I310 HydrophobicContact CD1-CD1 3.75Å; L262-I310 HydrophobicContact CD1-CG1 4.38Å; L262-I310 HydrophobicContact CG-CD1 4.44Å; L262-I310 WeakPolarHBondContact O-CA 3.33Å; L262-I310 WeakPolarHBondContact O-CB 3.21Å; L262-I310 PolarHBondContact O-N 2.79Å; F263-I310 HydrophobicContact CD1-CG2 4.11Å; F263-I310 HydrophobicContact CD2-CD1 4.43Å; F263-I310 HydrophobicContact CE1-CB 4.43Å; F263-I310 HydrophobicContact CE1-CG2 3.59Å; F263-I310 HydrophobicContact CE2-CB 4.32Å; F263-I310 HydrophobicContact CE2-CD1 3.69Å; F263-I310 HydrophobicContact CE2-CG2 4.19Å; F263-I310 HydrophobicContact CZ-CB 4.27Å; F263-I310 HydrophobicContact CZ-CD1 3.95Å; F263-I310 HydrophobicContact CZ-CG2 3.64Å; H308-I310 PolarHBondContact O-N 3.48Å
311	S	96.5	Very high	86.5	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153.7	-175.2	69.5	0	0	0	0	114.6	F155 A193 L262 F263 Q264	F155-S311 CarbonylContact O-C 3.49Å; F155-S311 WeakPolarHBondContact O-CA 3.41Å; A193-S311 VanDerWaalsContact O-CB 3.27Å; A193-S311 WeakPolarHBondContact O-CB 3.31Å; A193-S311 PolarHBondContact O-OG 3.1Å; L262-S311 PolarHBondContact O-N 3.37Å; L262-S311 VanDerWaalsContact O-N 3.11Å; F263-S311 WeakPolarHBondContact CA-OG 3.15Å; F263-S311 WeakPolarHBondContact CD1-OG 3.41Å; Q264-S311 WeakPolarHBondContact CB-O 3.23Å; Q264-S311 PolarHBondContact N-O 3Å
312	L	95.1	Very high	88.3	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.2	176.9	-69.8	164.6	0	0	0	109.4	T154 F155 Q264 L268 L305 L309 I315 L323	T154-L312 CarbonylContact C-O 3.48Å; T154-L312 VanDerWaalsContact CA-O 3.23Å; T154-L312 WeakPolarHBondContact CA-O 3.44Å; T154-L312 WeakPolarHBondContact CG2-O 3.49Å; F155-L312 HydrophobicContact CB-CB 4.48Å; F155-L312 PolarHBondContact N-O 3.48Å; F155-L312 PolarHBondContact O-N 3.15Å; Q264-L312 HydrophobicContact CB-CD2 4.07Å; Q264-L312 HydrophobicContact CG-CD2 4.19Å; L268-L312 HydrophobicContact CB-CD2 4.43Å; L268-L312 HydrophobicContact CD1-CD2 3.96Å; L268-L312 HydrophobicContact CD2-CD1 4.22Å; L305-L312 HydrophobicContact CD1-CD2 4.36Å; L309-L312 HydrophobicContact CD1-CD2 4.46Å; L309-L312 HydrophobicContact CD2-CD1 3.91Å; L309-L312 HydrophobicContact CD2-CD2 3.71Å; L309-L312 HydrophobicContact CD2-CG 3.68Å; L309-L312 HydrophobicContact CG-CG 4.49Å; L312-I315 HydrophobicContact CB-CD1 3.55Å; L312-I315 HydrophobicContact CB-CG1 3.72Å; L312-I315 HydrophobicContact CD1-CD1 4.25Å; L312-I315 HydrophobicContact CG-CD1 4.42Å; L312-L323 HydrophobicContact CD1-CD1 3.86Å; L312-L323 HydrophobicContact CD1-CD2 4.32Å
313	H	95.5	Very high	89.8	Confident	14 Å²	14	46.9 Å²	46.9	7%	0.065	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	164.1	178.1	-176.9	-139.5	0	0	0	111.5	D153 G192 Q264 W265 I315	D153-H313 IonicContact OD1-CD2 3.78Å; D153-H313 IonicContact OD1-NE2 2.89Å; G192-H313 VanDerWaalsContact C-CG 3.4Å; G192-H313 WeakPolarHBondContact CA-NE2 3.27Å; G192-H313 WeakPolarHBondContact O-CB 3.44Å; G192-H313 PolarHBondContact O-CD2 3.01Å; G192-H313 VanDerWaalsContact O-CG 3.27Å; Q264-H313 VanDerWaalsContact O-CB 3.22Å; Q264-H313 WeakPolarHBondContact O-CB 3.19Å; Q264-H313 PolarHBondContact O-N 3.44Å; Q264-H313 VanDerWaalsContact O-N 3.17Å; W265-H313 PolarHBondContact O-ND1 3.31Å; H313-I315 VanDerWaalsContact C-N 3.25Å; H313-I315 PolarHBondContact O-N 3.31Å
314	Y	95.6	Very high	91.3	Very high	104 Å²	104	44.3 Å²	44.3	41%	0.408	21%	0.205	S	C	.	.	S	Bend	trans	58.7	33.1	-176.1	-58.4	-61.7	0	0	0	114.1	D153 W265 Q316	D153-Y314 PolarHBondContact O-N 3.4Å; D153-Y314 VanDerWaalsContact O-N 3.16Å; W265-Y314 VanDerWaalsContact O-CE2 3.3Å; W265-Y314 WeakPolarHBondContact O-CE2 3.19Å; Y314-Q316 PolarHBondContact O-N 3.06Å
315	I	95.7	Very high	92.4	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	22%	0.224	C	C	.	.			trans	-80.3	115.8	-179.7	-55.1	-59	0	0	0	109.5	D153 F155 L268 L312 H313 M320 L323	D153-I315 PolarHBondContact O-N 2.77Å; F155-I315 HydrophobicContact CB-CB 4.49Å; F155-I315 HydrophobicContact CB-CG1 4.01Å; F155-I315 HydrophobicContact CB-CG2 4.43Å; L268-I315 HydrophobicContact CB-CD1 4.05Å; L312-I315 HydrophobicContact CB-CD1 3.55Å; L312-I315 HydrophobicContact CB-CG1 3.72Å; L312-I315 HydrophobicContact CD1-CD1 4.25Å; L312-I315 HydrophobicContact CG-CD1 4.42Å; H313-I315 VanDerWaalsContact C-N 3.25Å; H313-I315 PolarHBondContact O-N 3.31Å; I315-M320 HydrophobicContact CB-CE 3.76Å; I315-M320 HydrophobicContact CB-SD 4.01Å; I315-M320 HydrophobicContact CG2-CB 4.49Å; I315-M320 HydrophobicContact CG2-CE 3.99Å; I315-M320 HydrophobicContact CG2-CG 3.79Å; I315-M320 HydrophobicContact CG2-SD 3.6Å; I315-M320 VanDerWaalsContact CG2-SD 3.6Å; I315-L323 HydrophobicContact CD1-CD1 4.32Å; I315-L323 HydrophobicContact CG2-CD1 4.02Å
316	Q	94.7	Very high	92.9	Very high	95 Å²	95	51.1 Å²	51.1	44%	0.444	24%	0.24	S	C	.	.			trans	-70.1	155.8	175.9	-59.6	-60.1	-39.7	0	0	111.2	Y314 F318 Y319 M320	Y314-Q316 PolarHBondContact O-N 3.06Å; Q316-F318 VanDerWaalsContact C-N 3.29Å; Q316-F318 PolarHBondContact O-N 2.84Å; Q316-F318 VanDerWaalsContact O-N 3.15Å; Q316-Y319 HydrophobicContact CB-CD2 3.83Å; Q316-Y319 HydrophobicContact CB-CE2 4.41Å; Q316-Y319 HydrophobicContact CG-CD2 4.28Å; Q316-Y319 WeakPolarHBondContact O-CA 3.45Å; Q316-Y319 PolarHBondContact O-N 2.99Å; Q316-M320 PolarHBondContact O-N 3.2Å
317	P	95.4	Very high	93.2	Very high	33 Å²	33	54.1 Å²	54.1	21%	0.214	26%	0.256	C	S	.	.	H	α-helix	trans	-48.7	-43	-179.7	-36.5	41.5	0	0	0	116	T83 Y87 M320 Y321	T83-P317 WeakPolarHBondContact O-CG 3.37Å; Y87-P317 HydrophobicContact CD1-CB 4.28Å; Y87-P317 HydrophobicContact CD2-CB 3.51Å; Y87-P317 HydrophobicContact CD2-CG 3.66Å; Y87-P317 HydrophobicContact CE1-CB 4.21Å; Y87-P317 HydrophobicContact CE2-CB 3.43Å; Y87-P317 VanDerWaalsContact CE2-CB 3.43Å; Y87-P317 HydrophobicContact CE2-CG 3.58Å; Y87-P317 HydrophobicContact CG-CB 3.95Å; P317-M320 WeakPolarHBondContact O-CB 3.28Å; P317-M320 PolarHBondContact O-N 3.02Å; P317-Y321 PolarHBondContact O-N 3.38Å
318	F	95.3	Very high	93.6	Very high	141 Å²	141	52.8 Å²	52.8	62%	0.618	24%	0.244	S	C	*	.	H	α-helix	trans	-60.9	-46.2	176.9	172.5	-99.3	0	0	0	111.4	Q316 M320 Y321 L322	Q316-F318 VanDerWaalsContact C-N 3.29Å; Q316-F318 PolarHBondContact O-N 2.84Å; Q316-F318 VanDerWaalsContact O-N 3.15Å; F318-M320 VanDerWaalsContact C-N 3.33Å; F318-M320 PolarHBondContact O-N 2.91Å; F318-Y321 PolarHBondContact O-N 3.46Å; F318-L322 HydrophobicContact CE1-CD2 4.07Å; F318-L322 PolarHBondContact O-N 3.09Å
319	Y	93.8	Very high	93.6	Very high	79 Å²	79	53.3 Å²	53.3	31%	0.31	25%	0.247	S	C	.	.	H	α-helix	trans	-68.8	-29	-180	-62.7	-57.3	0	0	0	112.8	Q316 Y321 L322 L323	Q316-Y319 HydrophobicContact CB-CD2 3.83Å; Q316-Y319 HydrophobicContact CB-CE2 4.41Å; Q316-Y319 HydrophobicContact CG-CD2 4.28Å; Q316-Y319 WeakPolarHBondContact O-CA 3.45Å; Q316-Y319 PolarHBondContact O-N 2.99Å; Y319-Y321 VanDerWaalsContact C-N 3.33Å; Y319-Y321 PolarHBondContact O-N 2.83Å; Y319-L322 HydrophobicContact CD1-CD2 4.1Å; Y319-L322 PolarHBondContact O-N 3.31Å; Y319-L323 WeakPolarHBondContact O-CB 3.48Å; Y319-L323 VanDerWaalsContact O-CG 3.23Å; Y319-L323 WeakPolarHBondContact O-CG 3.4Å; Y319-L323 PolarHBondContact O-N 3.03Å
320	M	96.3	Very high	93.3	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-48.8	171.2	-67.4	-70.5	-172.4	0	0	111	V88 T91 F155 I315 Q316 P317 F318 E324	V88-M320 HydrophobicContact CG2-CE 3.91Å; T91-M320 HydrophobicContact CG2-CB 4.24Å; F155-M320 HydrophobicContact CB-SD 3.98Å; F155-M320 HydrophobicContact CD2-SD 3.71Å; F155-M320 HydrophobicContact CG-SD 4.35Å; I315-M320 HydrophobicContact CB-CE 3.76Å; I315-M320 HydrophobicContact CB-SD 4.01Å; I315-M320 HydrophobicContact CG2-CB 4.49Å; I315-M320 HydrophobicContact CG2-CE 3.99Å; I315-M320 HydrophobicContact CG2-CG 3.79Å; I315-M320 HydrophobicContact CG2-SD 3.6Å; I315-M320 VanDerWaalsContact CG2-SD 3.6Å; Q316-M320 PolarHBondContact O-N 3.2Å; P317-M320 WeakPolarHBondContact O-CB 3.28Å; P317-M320 PolarHBondContact O-N 3.02Å; F318-M320 VanDerWaalsContact C-N 3.33Å; F318-M320 PolarHBondContact O-N 2.91Å; M320-E324 WeakPolarHBondContact O-CB 2.95Å; M320-E324 PolarHBondContact O-N 2.87Å; M320-E324 VanDerWaalsContact O-N 3.07Å
321	Y	97.4	Very high	92.5	Very high	103 Å²	103	62.7 Å²	62.7	40%	0.404	29%	0.287	S	S	.	.	H	α-helix	trans	-73.1	-35.2	178	-73.8	-48.2	0	0	0	113.2	Y87 N90 T91 P317 F318 Y319 E324 F325	Y87-Y321 HydrophobicContact CD1-CD2 4.15Å; Y87-Y321 AromaticContact CD1-CE2 3.36Å; Y87-Y321 HydrophobicContact CD1-CE2 3.36Å; Y87-Y321 AromaticContact CD1-CZ 3.63Å; Y87-Y321 HydrophobicContact CE1-CD2 4.49Å; Y87-Y321 AromaticContact CE1-CE2 3.61Å; Y87-Y321 HydrophobicContact CE1-CE2 3.61Å; N90-Y321 HydrophobicContact CB-CE1 3.91Å; N90-Y321 PolarHBondContact ND2-OH 3.45Å; T91-Y321 HydrophobicContact CG2-CD1 3.62Å; T91-Y321 HydrophobicContact CG2-CE1 3.89Å; P317-Y321 PolarHBondContact O-N 3.38Å; F318-Y321 PolarHBondContact O-N 3.46Å; Y319-Y321 VanDerWaalsContact C-N 3.33Å; Y319-Y321 PolarHBondContact O-N 2.83Å; Y321-E324 PolarHBondContact O-N 3.33Å; Y321-F325 VanDerWaalsContact O-CB 3.31Å; Y321-F325 WeakPolarHBondContact O-CB 3.34Å; Y321-F325 PolarHBondContact O-N 2.87Å
322	L	95.1	Very high	91.4	Very high	73 Å²	73	65.8 Å²	65.8	38%	0.382	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-47.2	176.1	-176.8	62.4	0	0	0	111.1	F318 Y319 F325 V326	F318-L322 HydrophobicContact CE1-CD2 4.07Å; F318-L322 PolarHBondContact O-N 3.09Å; Y319-L322 HydrophobicContact CD1-CD2 4.1Å; Y319-L322 PolarHBondContact O-N 3.31Å; L322-F325 PolarHBondContact O-N 3Å; L322-V326 HydrophobicContact CD1-CG2 4.1Å; L322-V326 HydrophobicContact CG-CG2 4.42Å; L322-V326 WeakPolarHBondContact O-CG2 3.31Å; L322-V326 PolarHBondContact O-N 2.7Å
323	L	93.9	Very high	90.3	Very high	31 Å²	31	71 Å²	71	16%	0.162	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-46.2	175.7	-71.1	169.7	0	0	0	110.9	F155 L268 L312 I315 Y319 F325 V326 L327	F155-L323 HydrophobicContact CB-CD1 4.1Å; F155-L323 HydrophobicContact CD1-CD1 4.2Å; F155-L323 HydrophobicContact CD2-CB 4.16Å; F155-L323 HydrophobicContact CD2-CD1 4.08Å; F155-L323 HydrophobicContact CE1-CB 4.24Å; F155-L323 HydrophobicContact CE2-CB 3.85Å; F155-L323 HydrophobicContact CG-CB 4.49Å; F155-L323 HydrophobicContact CG-CD1 3.87Å; F155-L323 HydrophobicContact CZ-CB 3.89Å; L268-L323 HydrophobicContact CD2-CD2 4.35Å; L312-L323 HydrophobicContact CD1-CD1 3.86Å; L312-L323 HydrophobicContact CD1-CD2 4.32Å; I315-L323 HydrophobicContact CD1-CD1 4.32Å; I315-L323 HydrophobicContact CG2-CD1 4.02Å; Y319-L323 WeakPolarHBondContact O-CB 3.48Å; Y319-L323 VanDerWaalsContact O-CG 3.23Å; Y319-L323 WeakPolarHBondContact O-CG 3.4Å; Y319-L323 PolarHBondContact O-N 3.03Å; L323-F325 VanDerWaalsContact C-N 3.3Å; L323-F325 PolarHBondContact O-N 2.83Å; L323-V326 PolarHBondContact O-N 3.32Å; L323-L327 VanDerWaalsContact O-CB 3.24Å; L323-L327 WeakPolarHBondContact O-CB 3.47Å; L323-L327 VanDerWaalsContact O-CG 3.24Å; L323-L327 WeakPolarHBondContact O-CG 3.16Å; L323-L327 PolarHBondContact O-N 3.48Å
324	E	95.5	Very high	88.8	Confident	7 Å²	7	74.8 Å²	74.8	3%	0.033	35%	0.351	C	S	.	.	H	α-helix	trans	-57.2	-43.9	175.3	179.7	68.8	-158.1	0	0	112	T91 K94 R95 M320 Y321 Y328 H329	T91-E324 WeakPolarHBondContact CA-OE2 3.38Å; T91-E324 HydrophobicContact CG2-CB 3.77Å; T91-E324 HydrophobicContact CG2-CG 4.04Å; K94-E324 WeakPolarHBondContact CE-OE1 3.26Å; K94-E324 IonicContact NZ-OE1 3.82Å; K94-E324 PolarHBondContact NZ-OE1 3.19Å; R95-E324 IonicContact CZ-OE1 2.91Å; R95-E324 IonicContact CZ-OE2 3.44Å; R95-E324 IonicContact NH1-OE1 3.96Å; R95-E324 PolarHBondContact NH1-OE1 3.2Å; R95-E324 IonicContact NH1-OE2 3.28Å; R95-E324 PolarHBondContact NH1-OE2 3.38Å; R95-E324 IonicContact NH2-OE1 3.97Å; R95-E324 PolarHBondContact NH2-OE1 2.99Å; R95-E324 IonicContact NH2-OE2 2.7Å; R95-E324 PolarHBondContact NH2-OE2 2.94Å; M320-E324 WeakPolarHBondContact O-CB 2.95Å; M320-E324 PolarHBondContact O-N 2.87Å; M320-E324 VanDerWaalsContact O-N 3.07Å; Y321-E324 PolarHBondContact O-N 3.33Å; E324-Y328 WeakPolarHBondContact O-CB 3.49Å; E324-Y328 WeakPolarHBondContact O-CD2 3.47Å; E324-Y328 PolarHBondContact O-N 2.94Å; E324-Y328 VanDerWaalsContact O-N 3.11Å; E324-H329 PolarHBondContact O-CD2 3.34Å; E324-H329 IonicContact OE1-NE2 3.55Å
325	F	93	Very high	86.7	Confident	101 Å²	101	77.6 Å²	77.6	44%	0.443	37%	0.368	S	S	.	.	H	α-helix	trans	-65.6	-51.5	178.9	177.9	-105.8	0	0	0	112	Y321 L322 L323 L327 H329 L330	Y321-F325 VanDerWaalsContact O-CB 3.31Å; Y321-F325 WeakPolarHBondContact O-CB 3.34Å; Y321-F325 PolarHBondContact O-N 2.87Å; L322-F325 PolarHBondContact O-N 3Å; L323-F325 VanDerWaalsContact C-N 3.3Å; L323-F325 PolarHBondContact O-N 2.83Å; F325-L327 PolarHBondContact O-N 3.05Å; F325-H329 HydrophobicContact CD2-CB 3.62Å; F325-H329 HydrophobicContact CE2-CB 4.05Å; F325-H329 HydrophobicContact CG-CB 4.43Å; F325-H329 CarbonylContact O-C 2.97Å; F325-H329 WeakPolarHBondContact O-CA 3.33Å; F325-H329 WeakPolarHBondContact O-CB 3.45Å; F325-H329 PolarHBondContact O-N 2.9Å; F325-L330 HydrophobicContact CD1-CB 4.32Å; F325-L330 HydrophobicContact CE1-CB 3.95Å; F325-L330 HydrophobicContact CE1-CD1 3.92Å; F325-L330 HydrophobicContact CE1-CD2 4.49Å; F325-L330 HydrophobicContact CE1-CG 4.33Å; F325-L330 HydrophobicContact CZ-CB 4.17Å; F325-L330 HydrophobicContact CZ-CD1 3.99Å; F325-L330 PolarHBondContact O-N 2.97Å
326	V	89.7	Confident	84.3	Confident	77 Å²	77	80.8 Å²	80.8	47%	0.467	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-41.3	-176.7	173.7	0	0	0	0	111.3	L322 L323 L330	L322-V326 HydrophobicContact CD1-CG2 4.1Å; L322-V326 HydrophobicContact CG-CG2 4.42Å; L322-V326 WeakPolarHBondContact O-CG2 3.31Å; L322-V326 PolarHBondContact O-N 2.7Å; L323-V326 PolarHBondContact O-N 3.32Å; V326-L330 HydrophobicContact CG2-CD2 4.46Å
327	L	89.3	Confident	82	Confident	67 Å²	67	82.2 Å²	82.2	35%	0.351	39%	0.394	S	S	.	.	H	α-helix	trans	-76.2	-33.9	-176.9	-68.1	171.1	0	0	0	113.4	F155 I157 L323 F325	F155-L327 HydrophobicContact CE1-CD1 3.8Å; F155-L327 HydrophobicContact CZ-CD1 4.16Å; I157-L327 HydrophobicContact CD1-CD1 4.13Å; I157-L327 HydrophobicContact CG1-CD1 4.06Å; L323-L327 VanDerWaalsContact O-CB 3.24Å; L323-L327 WeakPolarHBondContact O-CB 3.47Å; L323-L327 VanDerWaalsContact O-CG 3.24Å; L323-L327 WeakPolarHBondContact O-CG 3.16Å; L323-L327 PolarHBondContact O-N 3.48Å; F325-L327 PolarHBondContact O-N 3.05Å
328	Y	88.6	Confident	79.7	Confident	60 Å²	60	90.5 Å²	90.5	24%	0.235	42%	0.423	C	S	.	.	H	α-helix	trans	-127.9	-7.3	-164.9	-54.4	-75.6	0	0	0	115.4	R95 F155 E159 E324	R95-Y328 VanDerWaalsContact CZ-CD2 3.44Å; R95-Y328 VanDerWaalsContact CZ-CZ 3.43Å; R95-Y328 VanDerWaalsContact NE-CE1 3.27Å; F155-Y328 HydrophobicContact CZ-CE2 4.33Å; E159-Y328 WeakPolarHBondContact OE1-CE1 3.47Å; E159-Y328 PolarHBondContact OE2-OH 3.02Å; E324-Y328 WeakPolarHBondContact O-CB 3.49Å; E324-Y328 WeakPolarHBondContact O-CD2 3.47Å; E324-Y328 PolarHBondContact O-N 2.94Å; E324-Y328 VanDerWaalsContact O-N 3.11Å
329	H	85.9	Confident	77.1	Confident	104 Å²	104	89.4 Å²	89.4	48%	0.481	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-38.8	-175.1	-62.6	-61.4	0	0	0	113.8	E324 F325 R331	E324-H329 PolarHBondContact O-CD2 3.34Å; E324-H329 IonicContact OE1-NE2 3.55Å; F325-H329 HydrophobicContact CD2-CB 3.62Å; F325-H329 HydrophobicContact CE2-CB 4.05Å; F325-H329 HydrophobicContact CG-CB 4.43Å; F325-H329 CarbonylContact O-C 2.97Å; F325-H329 WeakPolarHBondContact O-CA 3.33Å; F325-H329 WeakPolarHBondContact O-CB 3.45Å; F325-H329 PolarHBondContact O-N 2.9Å; H329-R331 PolarHBondContact O-N 3.46Å
330	L	83.1	Confident	74.5	Confident	80 Å²	80	93 Å²	93	42%	0.419	45%	0.447	S	S	.	.			trans	-67.2	128.2	178.8	-176.7	62.9	0	0	0	110.1	F325 V326	F325-L330 HydrophobicContact CD1-CB 4.32Å; F325-L330 HydrophobicContact CE1-CB 3.95Å; F325-L330 HydrophobicContact CE1-CD1 3.92Å; F325-L330 HydrophobicContact CE1-CD2 4.49Å; F325-L330 HydrophobicContact CE1-CG 4.33Å; F325-L330 HydrophobicContact CZ-CB 4.17Å; F325-L330 HydrophobicContact CZ-CD1 3.99Å; F325-L330 PolarHBondContact O-N 2.97Å; V326-L330 HydrophobicContact CG2-CD2 4.46Å
331	R	77.5	Confident	71.7	Confident	132 Å²	132	99.9 Å²	99.9	50%	0.498	50%	0.504	S	S	.	.			trans	-129.3	85.9	176.5	-64.5	178.3	-176.2	-175.7	-3.2	108.1	N15 H329 I333	N15-R331 PolarHBondContact O-NH1 3.44Å; N15-R331 VanDerWaalsContact O-NH1 3.09Å; H329-R331 PolarHBondContact O-N 3.46Å; R331-I333 PolarHBondContact O-N 2.78Å
332	P	72.6	Confident	70.4	Confident	67 Å²	67	99.7 Å²	99.7	44%	0.435	51%	0.509	S	S	.	.			trans	-63.2	134.9	178.6	27.7	-32.2	0	0	0	109.3
333	I	72.4	Confident	69.1	Low	114 Å²	114	101.1 Å²	101.1	59%	0.585	52%	0.516	S	S	*	.	B	Isolated β-bridge	trans	-83.3	114	168.9	-57.7	173.4	0	0	0	105.5	R331	R331-I333 PolarHBondContact O-N 2.78Å
334	Q	63.2	Low	67.7	Low	95 Å²	95	105 Å²	105	44%	0.444	54%	0.536	S	S	.	.			trans	-115.5	141.3	171.8	-76	-176.2	-11.8	0	0	109.5	Q52 Y54	Q52-Q334 WeakPolarHBondContact CB-O 3.36Å; Y54-Q334 HydrophobicContact CE2-CB 3.89Å; Y54-Q334 HydrophobicContact CE2-CG 4.15Å; Y54-Q334 VanDerWaalsContact CZ-OE1 3.31Å; Y54-Q334 PolarHBondContact OH-OE1 3.25Å
335	E	52.4	Low	66.1	Low	163 Å²	163	110.8 Å²	110.8	76%	0.762	57%	0.565	S	S	*	*			trans	-90.3	108.6	166.7	-155.5	163.1	-155.1	0	0	105.9	D337	E335-D337 PolarHBondContact O-N 3.17Å
336	M	45.5	Very low	64.4	Low	72 Å²	72	111.4 Å²	111.4	36%	0.355	57%	0.573	S	S	.	*			trans	-78.3	100.8	176.5	-69.4	-95.6	-87.7	0	0	109.2	Q52 Y54 Y338 L339	Q52-M336 VanDerWaalsContact OE1-CG 3.32Å; Q52-M336 VanDerWaalsContact OE1-N 3.07Å; Y54-M336 PolarHBondContact OH-SD 2.97Å; M336-Y338 PolarHBondContact O-N 2.97Å; M336-L339 HydrophobicContact CE-CD1 4.42Å
337	D	46.9	Very low	62.7	Low	125 Å²	125	113.7 Å²	113.7	67%	0.668	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-71.8	-17.9	171	-82.2	-24.4	0	0	0	112.9	E335 L339	E335-D337 PolarHBondContact O-N 3.17Å; D337-L339 PolarHBondContact O-N 3.23Å
338	Y	45.6	Very low	60.8	Low	206 Å²	206	117 Å²	117	81%	0.808	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-84.3	3.5	-173.2	-75.2	-78.3	0	0	0	116.1	M336	M336-Y338 PolarHBondContact O-N 2.97Å
339	L	42.6	Very low	58.7	Low	118 Å²	118	121.4 Å²	121.4	62%	0.618	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-97.4	3.1	171	-74.7	171.3	0	0	0	113.5	M336 D337	M336-L339 HydrophobicContact CE-CD1 4.42Å; D337-L339 PolarHBondContact O-N 3.23Å
340	N	38.7	Very low	56.4	Low	155 Å²	155	122.8 Å²	122.8	83%	0.829	64%	0.636	S	S	*	*			trans	-111.1	15.5	175.7	-75.3	-24.7	0	0	0	113.9
341	A	36.6	Very low	54	Low	147 Å²	147	126.7 Å²	126.7	100%	1.215	66%	0.656	S	S	*	*			trans	-104.3	0	164	0	0	0	0	0	108.8

Retrieved 341 of 341 residues in 853.5 ms (Link to these results)

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