A0A060X518_ONCMY Loading...

hydroxymethylglutaryl-CoA lyase

AlphaFold DB , UniProt , Accession A0A060X518, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 340 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.5	Very low	27.2	Very low	247 Å²	247	160.2 Å²	160.2	100%	1.217	84%	0.835	S	S	*	*				0	98.6	0	-86.1	-175.2	134.5	0	0	107.9
2	A	22.7	Very low	27.4	Very low	76 Å²	76	156.7 Å²	156.7	63%	0.628	83%	0.826	S	S	*	*			trans	-74.7	141.3	-176.8	0	0	0	0	0	111.1	V4	A2-V4 PolarHBondContact O-N 3.2Å
3	A	24.8	Very low	27.6	Very low	92 Å²	92	160.9 Å²	160.9	76%	0.76	83%	0.834	S	S	*	*			trans	-71.5	100.7	169.2	0	0	0	0	0	108.6	M5	A3-M5 PolarHBondContact O-N 3.39Å
4	V	25.4	Very low	27.6	Very low	118 Å²	118	154.5 Å²	154.5	72%	0.715	83%	0.827	S	S	*	*			trans	-75.1	114.7	175.4	175.2	0	0	0	0	108.8	A2 R6	A2-V4 PolarHBondContact O-N 3.2Å; V4-R6 HydrophobicContact CG1-CG 4.21Å; V4-R6 PolarHBondContact O-N 3.4Å; V4-R6 VanDerWaalsContact O-N 3.13Å
5	M	27.6	Very low	28	Very low	175 Å²	175	152 Å²	152	86%	0.862	83%	0.826	S	S	*	*			trans	-69.7	99.5	166.1	-160.1	171.5	-171.8	0	0	108	A3 F7	A3-M5 PolarHBondContact O-N 3.39Å; M5-F7 PolarHBondContact O-N 3.45Å
6	R	26.7	Very low	28.1	Very low	223 Å²	223	157.9 Å²	157.9	84%	0.842	83%	0.833	S	S	*	*			trans	-78.2	114.2	173	-81.9	-173.5	177.4	-179.6	-0.2	109.6	V4 V8	V4-R6 HydrophobicContact CG1-CG 4.21Å; V4-R6 PolarHBondContact O-N 3.4Å; V4-R6 VanDerWaalsContact O-N 3.13Å; R6-V8 PolarHBondContact O-N 3.03Å
7	F	27.2	Very low	28.4	Very low	196 Å²	196	159.5 Å²	159.5	86%	0.86	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-62.9	124.2	160	-84.5	-95.2	0	0	0	109.5	M5	M5-F7 PolarHBondContact O-N 3.45Å
8	V	28.2	Very low	28.4	Very low	139 Å²	139	154.4 Å²	154.4	84%	0.842	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-93.6	117.2	166.5	179.2	0	0	0	0	107.7	R6	R6-V8 PolarHBondContact O-N 3.03Å
9	N	25.6	Very low	28.8	Very low	151 Å²	151	155.8 Å²	155.8	81%	0.807	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-76.1	142.5	178.9	-154.2	1.1	0	0	0	110.6
10	R	32.6	Very low	28.9	Very low	236 Å²	236	157.4 Å²	157.4	89%	0.891	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-86.7	129.1	178.5	-85.4	-176.5	172.3	-162.7	-1.1	111.5
11	S	28.4	Very low	28.8	Very low	109 Å²	109	155.9 Å²	155.9	76%	0.762	83%	0.833	S	S	*	*			trans	176.9	130.9	153.2	47.1	0	0	0	0	104.8
12	T	29.5	Very low	28.7	Very low	118 Å²	118	151.4 Å²	151.4	72%	0.724	81%	0.813	S	S	*	*			cis	-159.7	-178.4	24.6	32.4	0	0	0	0	107.7
13	F	29.8	Very low	28.9	Very low	212 Å²	212	153.1 Å²	153.1	93%	0.93	82%	0.82	S	S	*	*			trans	84.1	123.6	-176.7	-65.1	-89.3	0	0	0	113.5
14	G	27.5	Very low	29.1	Very low	71 Å²	71	158.1 Å²	158.1	73%	0.732	83%	0.825	S	S	*	*			cis	151.1	123.4	14.4	0	0	0	0	0	104.6	R16	G14-R16 PolarHBondContact O-N 2.71Å
15	S	33	Very low	29.3	Very low	117 Å²	117	157.8 Å²	157.8	82%	0.818	83%	0.828	S	S	*	*			trans	-57.7	133	-169.8	64	0	0	0	0	113
16	R	30.9	Very low	29.4	Very low	247 Å²	247	155.6 Å²	155.6	93%	0.932	83%	0.829	S	S	*	*			trans	-164.6	105	144.2	-104.2	163.2	-162	-147	4.4	109.1	G14 G18	G14-R16 PolarHBondContact O-N 2.71Å; R16-G18 PolarHBondContact O-N 2.67Å
17	M	32.9	Very low	29.7	Very low	185 Å²	185	150.4 Å²	150.4	91%	0.911	83%	0.826	S	S	*	*			trans	-65.7	121.5	165.7	-87.8	177.2	147.4	0	0	108.9
18	G	28.5	Very low	30.1	Very low	67 Å²	67	145.7 Å²	145.7	69%	0.691	82%	0.824	S	S	*	*			trans	-134.1	105.5	163.2	0	0	0	0	0	107.6	R16 Q20	R16-G18 PolarHBondContact O-N 2.67Å; G18-Q20 PolarHBondContact O-N 2.98Å; G18-Q20 VanDerWaalsContact O-N 3.08Å
19	H	34.6	Very low	30.6	Very low	182 Å²	182	143.3 Å²	143.3	84%	0.843	82%	0.819	S	S	*	*			trans	-69.2	99.8	170.9	-76.2	-52.9	0	0	0	108.8
20	Q	30.8	Very low	31.1	Very low	187 Å²	187	142.7 Å²	142.7	87%	0.874	82%	0.82	S	S	*	*			trans	-97.4	102.6	161.6	-84.1	-179.8	-14.9	0	0	108.3	G18 L22	G18-Q20 PolarHBondContact O-N 2.98Å; G18-Q20 VanDerWaalsContact O-N 3.08Å; Q20-L22 PolarHBondContact O-N 3.35Å
21	C	27.5	Very low	31.3	Very low	126 Å²	126	135.6 Å²	135.6	85%	0.851	81%	0.812	S	S	*	*			trans	-66.7	112.1	167.4	-155.3	0	0	0	0	107.3	S23	C21-S23 PolarHBondContact O-N 3.37Å; C21-S23 VanDerWaalsContact O-N 3.1Å
22	L	28.9	Very low	31.6	Very low	152 Å²	152	139.7 Å²	139.7	80%	0.796	82%	0.816	S	S	*	*			trans	-72.3	99.1	173.3	-79	161	0	0	0	108.3	Q20 F24	Q20-L22 PolarHBondContact O-N 3.35Å; L22-F24 PolarHBondContact O-N 2.95Å
23	S	25.6	Very low	31.8	Very low	112 Å²	112	138.9 Å²	138.9	78%	0.783	82%	0.815	S	S	*	*			trans	-73.4	110.5	166.8	46.3	0	0	0	0	109.2	C21 S25	C21-S23 PolarHBondContact O-N 3.37Å; C21-S23 VanDerWaalsContact O-N 3.1Å; S23-S25 PolarHBondContact O-N 3.24Å
24	F	30.2	Very low	32.1	Very low	198 Å²	198	134.1 Å²	134.1	87%	0.868	80%	0.803	S	S	*	*			trans	-76.5	105.6	165.7	-81.2	-89	0	0	0	108.6	L22 C26	L22-F24 PolarHBondContact O-N 2.95Å; F24-C26 PolarHBondContact O-N 2.69Å
25	S	28.8	Very low	32.4	Very low	110 Å²	110	138.8 Å²	138.8	77%	0.769	81%	0.806	S	S	*	*			trans	-77.4	112.1	165.3	53.1	0	0	0	0	108.8	S23 S27	S23-S25 PolarHBondContact O-N 3.24Å; S25-S27 PolarHBondContact O-N 3.37Å; S25-S27 VanDerWaalsContact O-N 3.09Å
26	C	29.3	Very low	32.8	Very low	130 Å²	130	139.6 Å²	139.6	88%	0.878	81%	0.805	S	S	*	*			trans	-73.2	98.2	173.1	-159.2	0	0	0	0	108.2	F24 A28	F24-C26 PolarHBondContact O-N 2.69Å; C26-A28 PolarHBondContact O-N 3.42Å
27	S	33.8	Very low	33	Very low	113 Å²	113	130.1 Å²	130.1	79%	0.79	79%	0.785	S	S	*	*			trans	-74.6	113.1	163.2	-93.9	0	0	0	0	108.1	S25 A29	S25-S27 PolarHBondContact O-N 3.37Å; S25-S27 VanDerWaalsContact O-N 3.09Å; S27-A29 VanDerWaalsContact C-N 3.26Å; S27-A29 PolarHBondContact O-N 3.02Å
28	A	35.4	Very low	33.3	Very low	97 Å²	97	126.4 Å²	126.4	80%	0.802	78%	0.784	S	S	*	*			trans	-66.8	84.3	173.5	0	0	0	0	0	110	C26 V30	C26-A28 PolarHBondContact O-N 3.42Å; A28-V30 PolarHBondContact O-N 3.17Å
29	A	38.6	Very low	33.8	Very low	89 Å²	89	127.9 Å²	127.9	74%	0.736	78%	0.784	S	S	*	*			trans	-69.8	121.8	156.2	0	0	0	0	0	106.9	S27 A31	S27-A29 VanDerWaalsContact C-N 3.26Å; S27-A29 PolarHBondContact O-N 3.02Å; A29-A31 PolarHBondContact O-N 2.85Å
30	V	36.5	Very low	34.1	Very low	139 Å²	139	123.9 Å²	123.9	84%	0.842	78%	0.782	S	S	*	*			trans	-50.1	105.2	177.8	176.5	0	0	0	0	108.8	A28 K32	A28-V30 PolarHBondContact O-N 3.17Å; V30-K32 PolarHBondContact O-N 3.01Å
31	A	36.5	Very low	34.8	Very low	87 Å²	87	118.3 Å²	118.3	72%	0.719	78%	0.775	S	S	*	*			trans	-59.7	112.3	169.9	0	0	0	0	0	106.9	A29 S33	A29-A31 PolarHBondContact O-N 2.85Å; A31-S33 PolarHBondContact O-N 3.48Å
32	K	34.9	Very low	36.4	Very low	195 Å²	195	119 Å²	119	85%	0.848	76%	0.763	S	S	*	*			trans	-57.5	114.3	158.8	-81.1	-179.6	177	177.8	0	105.2	V30 V34	V30-K32 PolarHBondContact O-N 3.01Å; K32-V34 PolarHBondContact O-N 3.42Å
33	S	32.9	Very low	39.1	Very low	101 Å²	101	115.6 Å²	115.6	71%	0.706	76%	0.757	S	S	*	*			trans	-54.2	105.1	169.9	36.5	0	0	0	0	107.6	A31 Q35	A31-S33 PolarHBondContact O-N 3.48Å; S33-Q35 PolarHBondContact O-N 2.97Å
34	V	36.5	Very low	42.5	Very low	111 Å²	111	112.9 Å²	112.9	67%	0.673	73%	0.734	S	S	*	*			trans	-66.2	92.9	158.5	178.4	0	0	0	0	104	K32 V36	K32-V34 PolarHBondContact O-N 3.42Å; V34-V36 VanDerWaalsContact C-N 3.26Å; V34-V36 HydrophobicContact CG1-CG2 4.4Å; V34-V36 PolarHBondContact O-N 3.14Å
35	Q	34.1	Very low	45.7	Very low	169 Å²	169	104.4 Å²	104.4	79%	0.79	70%	0.699	S	S	*	*			trans	-61.3	103.7	159.5	-74.2	-164.7	-17.5	0	0	104.7	S33 G37	S33-Q35 PolarHBondContact O-N 2.97Å; Q35-G37 PolarHBondContact O-N 2.93Å
36	V	41.5	Very low	49	Very low	134 Å²	134	106.2 Å²	106.2	81%	0.812	70%	0.695	S	S	*	*			trans	-64.1	82.4	157.1	-175.8	0	0	0	0	104.2	V34 A38	V34-V36 VanDerWaalsContact C-N 3.26Å; V34-V36 HydrophobicContact CG1-CG2 4.4Å; V34-V36 PolarHBondContact O-N 3.14Å; V36-A38 PolarHBondContact O-N 2.98Å
37	G	34.3	Very low	52.3	Low	49 Å²	49	107.5 Å²	107.5	51%	0.505	68%	0.681	S	S	.	*			trans	-56.4	124.1	173	0	0	0	0	0	105.8	Q35 S39	Q35-G37 PolarHBondContact O-N 2.93Å; G37-S39 PolarHBondContact O-N 3.17Å
38	A	39.1	Very low	55.4	Low	107 Å²	107	102.1 Å²	102.1	88%	0.884	64%	0.644	S	S	*	*			trans	-64.2	70.7	162.7	0	0	0	0	0	107.8	V36 A40	V36-A38 PolarHBondContact O-N 2.98Å; A38-A40 PolarHBondContact O-N 3.38Å
39	S	39.2	Very low	58.4	Low	98 Å²	98	100 Å²	100	69%	0.685	62%	0.617	S	S	*	*			trans	-60.9	126.9	159.5	82.3	0	0	0	0	104.7	G37 G41	G37-S39 PolarHBondContact O-N 3.17Å; S39-G41 WeakPolarHBondContact O-CA 3.45Å; S39-G41 PolarHBondContact O-N 2.95Å
40	A	41.6	Very low	61.3	Low	97 Å²	97	95.8 Å²	95.8	80%	0.802	58%	0.582	S	S	*	*			trans	-33.2	105.6	-179.1	0	0	0	0	0	110.1	A38 K42	A38-A40 PolarHBondContact O-N 3.38Å; A40-K42 PolarHBondContact O-N 3.49Å
41	G	44.9	Very low	64.3	Low	71 Å²	71	89.2 Å²	89.2	73%	0.732	54%	0.542	S	S	*	.			trans	-53.8	116	-164	0	0	0	0	0	109.1	S39 A43	S39-G41 WeakPolarHBondContact O-CA 3.45Å; S39-G41 PolarHBondContact O-N 2.95Å; G41-A43 PolarHBondContact O-N 3.27Å; G41-A43 VanDerWaalsContact O-N 3.09Å
42	K	62.2	Low	67.2	Low	139 Å²	139	85.1 Å²	85.1	60%	0.604	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-52.3	124.8	166.2	-83.3	-178.2	177.1	177.9	0	105.9	A40 L44	A40-K42 PolarHBondContact O-N 3.49Å; K42-L44 PolarHBondContact O-N 3.25Å
43	A	85.8	Confident	70.3	Confident	82 Å²	82	75.8 Å²	75.8	68%	0.678	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-56.5	137.4	178.1	0	0	0	0	0	108.6	G41	G41-A43 PolarHBondContact O-N 3.27Å; G41-A43 VanDerWaalsContact O-N 3.09Å
44	L	96.4	Very high	73.4	Confident	55 Å²	55	71 Å²	71	29%	0.288	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-52.2	146	172.8	-68.7	172.6	0	0	0	109.8	K42 Q46 L264 Q265 L303 I305	K42-L44 PolarHBondContact O-N 3.25Å; L44-Q46 PolarHBondContact O-N 2.93Å; L44-L264 HydrophobicContact CD2-CB 3.92Å; L44-Q265 HydrophobicContact CD2-CG 3.9Å; L44-L303 HydrophobicContact CD1-CD2 4.3Å; L44-I305 HydrophobicContact CB-CD1 4.29Å; L44-I305 HydrophobicContact CD1-CD1 4.5Å
45	P	97.5	Very high	76.3	Confident	20 Å²	20	65.8 Å²	65.8	13%	0.13	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-60.2	136.9	178.1	27	-35.7	0	0	0	110.1	R47 V48 L264 I305	P45-R47 PolarHBondContact O-N 2.84Å; P45-V48 HydrophobicContact CB-CG2 4.43Å; P45-V48 HydrophobicContact CG-CG2 3.77Å; P45-L264 WeakPolarHBondContact CD-O 3.5Å; P45-L264 HydrophobicContact CG-CD2 3.87Å; P45-I305 WeakPolarHBondContact O-CG1 3.4Å
46	Q	97.9	Very high	79.4	Confident	148 Å²	148	58.5 Å²	58.5	69%	0.692	37%	0.367	S	S	*	.	S	Bend	trans	-68	-24.9	178.5	-63.4	-60.2	-51	0	0	112.5	L44 Q306	L44-Q46 PolarHBondContact O-N 2.93Å; Q46-Q306 PolarHBondContact O-N 3.41Å
47	R	98.5	Very high	82	Confident	156 Å²	156	53 Å²	53	59%	0.589	33%	0.333	S	S	*	.	B	Isolated β-bridge	trans	-140.2	139.2	180	-174.7	177.7	-175	167.8	2.4	109.9	P45 Q306	P45-R47 PolarHBondContact O-N 2.84Å; R47-Q306 CarbonylContact C-O 3.59Å; R47-Q306 VanDerWaalsContact CA-O 3.26Å; R47-Q306 WeakPolarHBondContact CA-O 3.25Å; R47-Q306 HydrophobicContact CB-CB 4.29Å; R47-Q306 HydrophobicContact CG-CB 4.23Å; R47-Q306 WeakPolarHBondContact CG-O 3.27Å
48	V	98.8	Very high	84.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	31%	0.309	C	S	.	.			trans	-120.3	131.7	173.2	168.1	0	0	0	0	109.5	P45 L264 S269 V271 L300 I305 Q306	P45-V48 HydrophobicContact CB-CG2 4.43Å; P45-V48 HydrophobicContact CG-CG2 3.77Å; V48-L264 HydrophobicContact CG2-CD2 3.47Å; V48-L264 VanDerWaalsContact CG2-CD2 3.47Å; V48-S269 CarbonylContact C-O 3.56Å; V48-S269 VanDerWaalsContact CA-O 3.29Å; V48-S269 WeakPolarHBondContact CA-O 3.29Å; V48-V271 HydrophobicContact CG1-CB 4.42Å; V48-V271 HydrophobicContact CG1-CG2 4Å; V48-L300 HydrophobicContact CB-CD1 4.02Å; V48-L300 HydrophobicContact CB-CD2 4.28Å; V48-L300 HydrophobicContact CG1-CD1 3.79Å; V48-L300 HydrophobicContact CG1-CD2 4.46Å; V48-L300 HydrophobicContact CG2-CD2 4Å; V48-I305 HydrophobicContact CB-CG2 3.97Å; V48-I305 HydrophobicContact CG2-CG2 3.6Å; V48-Q306 PolarHBondContact N-O 3.14Å
49	K	98.9	Very high	87.7	Confident	54 Å²	54	45.7 Å²	45.7	24%	0.235	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.1	170.9	-174.1	-176.5	69.3	176.7	0	108.6	P84 V85 E214 S269 V270 V271	K49-P84 HydrophobicContact CG-CG 3.87Å; K49-V85 HydrophobicContact CD-CG2 3.92Å; K49-V85 HydrophobicContact CG-CG2 4.29Å; K49-E214 IonicContact NZ-OE1 3.46Å; K49-E214 IonicContact NZ-OE2 2.65Å; K49-E214 PolarHBondContact NZ-OE2 3.33Å; K49-S269 PolarHBondContact N-O 3.46Å; K49-V270 HydrophobicContact CB-CG1 4.39Å; K49-V270 HydrophobicContact CB-CG2 4.21Å; K49-V270 WeakPolarHBondContact O-CA 3.36Å; K49-V271 PolarHBondContact O-N 3.19Å
50	I	98.9	Very high	90.2	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.1	172.5	-62.2	176.9	0	0	0	108.5	L83 V271 S273 T293 V297 L300 T307 V309	I50-L83 HydrophobicContact CB-CD2 4.03Å; I50-L83 HydrophobicContact CG2-CD2 3.68Å; I50-V271 WeakPolarHBondContact CA-O 3.16Å; I50-S273 WeakPolarHBondContact CG2-OG 3.2Å; I50-T293 HydrophobicContact CG2-CG2 3.93Å; I50-V297 HydrophobicContact CD1-CG2 3.34Å; I50-L300 HydrophobicContact CD1-CD1 4.11Å; I50-L300 HydrophobicContact CG1-CD1 4.34Å; I50-T307 HydrophobicContact CD1-CG2 4.03Å; I50-V309 HydrophobicContact CD1-CG2 4.27Å
51	V	98.9	Very high	92.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	107.4	169.5	-177.7	0	0	0	0	108.2	V53 V85 V270 V271 D272 S273	V51-V53 HydrophobicContact CG1-CG1 4.2Å; V51-V53 PolarHBondContact O-N 3Å; V51-V85 HydrophobicContact CB-CB 4.44Å; V51-V85 HydrophobicContact CB-CG1 4.48Å; V51-V85 HydrophobicContact CG1-CB 4.26Å; V51-V85 HydrophobicContact CG1-CG1 3.82Å; V51-V85 HydrophobicContact CG2-CB 4.1Å; V51-V85 HydrophobicContact CG2-CG1 4.23Å; V51-V85 HydrophobicContact CG2-CG2 4.45Å; V51-V270 HydrophobicContact CG2-CG1 3.85Å; V51-V271 PolarHBondContact N-O 3.06Å; V51-D272 WeakPolarHBondContact CB-OD1 3.48Å; V51-D272 WeakPolarHBondContact O-CA 3.49Å; V51-S273 PolarHBondContact O-N 3.47Å
52	E	98.9	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	112.6	-179.6	173.2	56.7	-120.3	0	0	110.1	G54 L78 L83 V85 I86 E87 S273 S274 V275 T293	E52-G54 WeakPolarHBondContact OE1-CA 3.17Å; E52-G54 PolarHBondContact OE1-N 3.27Å; E52-L78 HydrophobicContact CG-CD1 3.75Å; E52-L78 HydrophobicContact CG-CD2 4.13Å; E52-L78 HydrophobicContact CG-CG 4.4Å; E52-L83 HydrophobicContact CB-CD1 3.62Å; E52-L83 HydrophobicContact CB-CD2 4.07Å; E52-L83 HydrophobicContact CB-CG 4.32Å; E52-L83 HydrophobicContact CG-CD1 3.71Å; E52-V85 PolarHBondContact N-O 3.25Å; E52-I86 HydrophobicContact CB-CG1 4.27Å; E52-I86 HydrophobicContact CG-CG2 4.39Å; E52-I86 CarbonylContact O-C 3.42Å; E52-I86 WeakPolarHBondContact O-CA 3.48Å; E52-E87 PolarHBondContact O-N 3.47Å; E52-S273 WeakPolarHBondContact CA-O 3.01Å; E52-S274 WeakPolarHBondContact OE1-CA 3.44Å; E52-V275 VanDerWaalsContact CD-N 3.34Å; E52-V275 PolarHBondContact OE1-N 3.02Å; E52-V275 PolarHBondContact OE2-N 2.85Å; E52-T293 WeakPolarHBondContact OE2-CB 3.39Å; E52-T293 WeakPolarHBondContact OE2-CG2 3.47Å; E52-T293 PolarHBondContact OE2-OG1 3.05Å
53	V	98.8	Very high	95.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.			trans	-103.4	-0.2	-176.7	-59.7	0	0	0	0	113.4	V51 R56 D57 G58 E87 D272 S273	V51-V53 HydrophobicContact CG1-CG1 4.2Å; V51-V53 PolarHBondContact O-N 3Å; V53-R56 CarbonylContact O-C 3.45Å; V53-R56 PolarHBondContact O-N 3.44Å; V53-R56 VanDerWaalsContact O-N 3.16Å; V53-D57 HydrophobicContact CB-CB 3.91Å; V53-D57 HydrophobicContact CG2-CB 3.99Å; V53-D57 PolarHBondContact O-N 3.46Å; V53-G58 PolarHBondContact O-N 3.3Å; V53-E87 HydrophobicContact CB-CB 4.5Å; V53-E87 HydrophobicContact CG1-CB 4.26Å; V53-D272 HydrophobicContact CG1-CB 4.28Å; V53-S273 WeakPolarHBondContact CG2-O 3.32Å; V53-S273 PolarHBondContact N-O 3.27Å
54	G	98.4	Very high	95.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-53.7	-48	-176.4	0	0	0	0	0	114.9	E52 R56 G58 L59 S274	E52-G54 WeakPolarHBondContact OE1-CA 3.17Å; E52-G54 PolarHBondContact OE1-N 3.27Å; G54-R56 PolarHBondContact O-N 3.38Å; G54-G58 CarbonylContact O-C 3.6Å; G54-G58 VanDerWaalsContact O-CA 3.27Å; G54-G58 WeakPolarHBondContact O-CA 3.41Å; G54-G58 PolarHBondContact O-N 3.02Å; G54-L59 PolarHBondContact O-N 2.99Å; G54-S274 WeakPolarHBondContact CA-OG 3.5Å
55	P	98.5	Very high	95.2	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.013	21%	0.206	C	C	.	.	I	π-helix	trans	-63.5	-24.7	-179.9	-24.4	35.5	0	0	0	114.6	L74 I75 L78 I86	P55-L74 HydrophobicContact CB-CD2 4.5Å; P55-L74 HydrophobicContact CG-CD2 4.14Å; P55-L74 HydrophobicContact CG-CG 4.35Å; P55-I75 HydrophobicContact CB-CD1 3.99Å; P55-I75 HydrophobicContact CB-CG1 3.59Å; P55-I75 HydrophobicContact CG-CG1 3.68Å; P55-L78 HydrophobicContact CG-CD1 3.54Å; P55-I86 HydrophobicContact CG-CG2 3.86Å
56	R	98.1	Very high	95.1	Very high	15 Å²	15	43.5 Å²	43.5	6%	0.057	20%	0.204	C	C	.	.	I	π-helix	trans	-102.9	-79.1	175.6	-168	-77.2	-68.7	170.6	-0.4	111.1	V53 G54 G58 L59 Q60 E87 T89 M100	V53-R56 CarbonylContact O-C 3.45Å; V53-R56 PolarHBondContact O-N 3.44Å; V53-R56 VanDerWaalsContact O-N 3.16Å; G54-R56 PolarHBondContact O-N 3.38Å; R56-G58 VanDerWaalsContact C-N 3.35Å; R56-G58 PolarHBondContact O-N 3.32Å; R56-L59 PolarHBondContact O-N 3.38Å; R56-Q60 WeakPolarHBondContact O-CB 3.21Å; R56-Q60 PolarHBondContact O-N 2.83Å; R56-E87 HydrophobicContact CB-CB 4.26Å; R56-E87 HydrophobicContact CB-CG 3.92Å; R56-E87 WeakPolarHBondContact CB-O 3.46Å; R56-E87 HydrophobicContact CG-CG 4.24Å; R56-E87 IonicContact CZ-OE1 2.8Å; R56-E87 IonicContact CZ-OE2 3.88Å; R56-E87 PolarHBondContact N-O 2.89Å; R56-E87 IonicContact NE-OE1 3.73Å; R56-E87 PolarHBondContact NE-OE1 3.41Å; R56-E87 IonicContact NE-OE2 2.67Å; R56-E87 PolarHBondContact NE-OE2 2.9Å; R56-E87 IonicContact NH2-OE1 2.66Å; R56-E87 PolarHBondContact NH2-OE1 3.35Å; R56-E87 IonicContact NH2-OE2 3.85Å; R56-E87 PolarHBondContact NH2-OE2 3.14Å; R56-T89 VanDerWaalsContact CG-C 3.42Å; R56-T89 WeakPolarHBondContact CG-O 3.35Å; R56-M100 HydrophobicContact CG-SD 4.41Å
57	D	96.5	Very high	95.1	Very high	19 Å²	19	39.4 Å²	39.4	10%	0.102	19%	0.19	C	C	.	.	I	π-helix	trans	-64.7	-38.8	-171.6	-165	63.5	0	0	0	112.8	V53 N61 H248 N290	V53-D57 HydrophobicContact CB-CB 3.91Å; V53-D57 HydrophobicContact CG2-CB 3.99Å; V53-D57 PolarHBondContact O-N 3.46Å; D57-N61 PolarHBondContact O-ND2 3.49Å; D57-H248 IonicContact OD2-CE1 3.74Å; D57-N290 PolarHBondContact OD2-ND2 3.13Å; D57-N290 PolarHBondContact OD2-OD1 3.5Å
58	G	95.9	Very high	95.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-61.2	-58.5	174.2	0	0	0	0	0	111.6	V53 G54 R56 Q60 L278 G279	V53-G58 PolarHBondContact O-N 3.3Å; G54-G58 CarbonylContact O-C 3.6Å; G54-G58 VanDerWaalsContact O-CA 3.27Å; G54-G58 WeakPolarHBondContact O-CA 3.41Å; G54-G58 PolarHBondContact O-N 3.02Å; R56-G58 VanDerWaalsContact C-N 3.35Å; R56-G58 PolarHBondContact O-N 3.32Å; G58-Q60 VanDerWaalsContact C-N 3.33Å; G58-Q60 PolarHBondContact O-N 2.84Å; G58-L278 WeakPolarHBondContact CA-O 3.29Å; G58-G279 WeakPolarHBondContact O-CA 3.48Å; G58-G279 PolarHBondContact O-N 3.33Å
59	L	96.2	Very high	95.1	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-68	-27.6	-177.9	-67.8	-174.3	0	0	0	114.3	G54 R56 N61 E62 V66 K71 L74 M100 L278 I321 L325	G54-L59 PolarHBondContact O-N 2.99Å; R56-L59 PolarHBondContact O-N 3.38Å; L59-N61 PolarHBondContact O-N 3.22Å; L59-E62 HydrophobicContact CD2-CG 4.13Å; L59-E62 WeakPolarHBondContact O-CB 3.42Å; L59-E62 PolarHBondContact O-N 3.04Å; L59-E62 VanDerWaalsContact O-N 3.1Å; L59-V66 HydrophobicContact CD2-CG2 3.94Å; L59-K71 HydrophobicContact CD1-CG 3.85Å; L59-L74 HydrophobicContact CD1-CD2 4.39Å; L59-M100 HydrophobicContact CB-CE 3.91Å; L59-L278 HydrophobicContact CD2-CD1 3.99Å; L59-I321 HydrophobicContact CD2-CD1 4.2Å; L59-I321 HydrophobicContact CD2-CG1 4.27Å; L59-L325 HydrophobicContact CD2-CD1 3.99Å
60	Q	92.6	Very high	95.1	Very high	41 Å²	41	38 Å²	38	19%	0.192	20%	0.195	C	C	.	.	H	α-helix	trans	-59.5	-32.2	-177.6	-178.3	170.9	-59.6	0	0	112.7	R56 G58 V97 M100	R56-Q60 WeakPolarHBondContact O-CB 3.21Å; R56-Q60 PolarHBondContact O-N 2.83Å; G58-Q60 VanDerWaalsContact C-N 3.33Å; G58-Q60 PolarHBondContact O-N 2.84Å; Q60-V97 HydrophobicContact CG-CG1 3.61Å; Q60-M100 HydrophobicContact CB-CE 4.29Å
61	N	83.5	Confident	95.1	Very high	63 Å²	63	38.6 Å²	38.6	34%	0.337	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	3.8	-179	-64	-60.9	0	0	0	113.3	D57 L59	D57-N61 PolarHBondContact O-ND2 3.49Å; L59-N61 PolarHBondContact O-N 3.22Å
62	E	87.6	Confident	95.1	Very high	20 Å²	20	40 Å²	40	9%	0.093	21%	0.205	C	C	.	.			trans	-73.4	142.2	175.1	-66.9	-62.1	159.1	0	0	111.3	L59 Q99 G279 L325 R327	L59-E62 HydrophobicContact CD2-CG 4.13Å; L59-E62 WeakPolarHBondContact O-CB 3.42Å; L59-E62 PolarHBondContact O-N 3.04Å; L59-E62 VanDerWaalsContact O-N 3.1Å; E62-Q99 PolarHBondContact O-NE2 3.28Å; E62-G279 PolarHBondContact OE1-N 3.03Å; E62-L325 HydrophobicContact CB-CD2 4.19Å; E62-L325 HydrophobicContact CG-CD1 4.06Å; E62-L325 HydrophobicContact CG-CD2 4.18Å; E62-R327 IonicContact OE1-CZ 3.58Å; E62-R327 IonicContact OE1-NH1 2.73Å; E62-R327 PolarHBondContact OE1-NH1 3.43Å; E62-R327 IonicContact OE2-NH1 3.19Å; E62-R327 PolarHBondContact OE2-NH1 3.28Å
63	K	83.7	Confident	95.1	Very high	200 Å²	200	44.3 Å²	44.3	87%	0.87	23%	0.225	S	C	*	.	S	Bend	trans	-73.1	-34.4	178.6	-66.2	-179.5	180	176.9	0	112.1
64	T	88	Confident	95.1	Very high	74 Å²	74	44.3 Å²	44.3	45%	0.454	23%	0.225	S	C	.	.	S	Bend	trans	-86.7	126.7	-178.5	-54.2	0	0	0	0	109	V66	T64-V66 PolarHBondContact O-N 3.12Å
65	L	92.5	Very high	95.1	Very high	105 Å²	105	44.3 Å²	44.3	55%	0.55	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-69.8	118.3	170.1	-68.6	176.5	0	0	0	109.1	P98 Q99	L65-P98 HydrophobicContact CD2-CB 4.34Å; L65-Q99 HydrophobicContact CD2-CB 4.45Å; L65-Q99 HydrophobicContact CD2-CG 4.04Å
66	V	95.4	Very high	95.1	Very high	13 Å²	13	45.2 Å²	45.2	8%	0.079	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-84.8	129.7	177.4	180	0	0	0	0	109.2	L59 T64 V70 K71 I321 L325	L59-V66 HydrophobicContact CD2-CG2 3.94Å; T64-V66 PolarHBondContact O-N 3.12Å; V66-V70 HydrophobicContact CG1-CB 3.57Å; V66-V70 HydrophobicContact CG1-CG1 3.35Å; V66-K71 HydrophobicContact CB-CG 4.33Å; V66-K71 HydrophobicContact CG1-CG 3.96Å; V66-K71 VanDerWaalsContact O-CE 3.23Å; V66-K71 WeakPolarHBondContact O-CE 3.45Å; V66-K71 PolarHBondContact O-NZ 2.84Å; V66-I321 HydrophobicContact CG1-CD1 4.23Å; V66-L325 HydrophobicContact CG2-CD2 3.3Å; V66-L325 HydrophobicContact CG2-CG 3.99Å
67	P	98	Very high	95.1	Very high	61 Å²	61	46.2 Å²	46.2	40%	0.396	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-58.4	150.5	175.2	-24.8	34.5	0	0	0	113.2	E69 V70 K71	P67-E69 VanDerWaalsContact C-N 3.32Å; P67-E69 HydrophobicContact CB-CG 4.48Å; P67-E69 WeakPolarHBondContact CB-OE1 3.3Å; P67-E69 VanDerWaalsContact CB-OE2 3.3Å; P67-E69 WeakPolarHBondContact CB-OE2 3.06Å; P67-E69 PolarHBondContact O-N 2.97Å; P67-V70 HydrophobicContact CB-CG2 4.21Å; P67-V70 HydrophobicContact CG-CG2 4.3Å; P67-V70 WeakPolarHBondContact O-CB 3.36Å; P67-V70 PolarHBondContact O-N 3.41Å; P67-V70 VanDerWaalsContact O-N 3.07Å; P67-K71 PolarHBondContact O-N 3.38Å
68	T	98.6	Very high	95.2	Very high	39 Å²	39	45.3 Å²	45.3	24%	0.239	23%	0.23	C	C	.	.	H	α-helix	trans	-58.3	-42.1	-176	-54.4	0	0	0	0	112.5	V70 K71 I72 D102 E105 V106	T68-V70 VanDerWaalsContact C-N 3.27Å; T68-V70 PolarHBondContact O-N 3.35Å; T68-K71 WeakPolarHBondContact O-CB 3.39Å; T68-K71 PolarHBondContact O-N 3.09Å; T68-I72 HydrophobicContact CG2-CD1 3.91Å; T68-I72 WeakPolarHBondContact O-CG1 3.22Å; T68-I72 PolarHBondContact O-N 2.85Å; T68-D102 VanDerWaalsContact CA-OD2 3.3Å; T68-D102 WeakPolarHBondContact CA-OD2 3.38Å; T68-D102 WeakPolarHBondContact CB-OD2 3.27Å; T68-D102 HydrophobicContact CG2-CB 4.11Å; T68-D102 VanDerWaalsContact OG1-CB 3.3Å; T68-D102 WeakPolarHBondContact OG1-CB 3.48Å; T68-D102 PolarHBondContact OG1-OD2 3.33Å; T68-E105 HydrophobicContact CG2-CB 3.77Å; T68-V106 HydrophobicContact CG2-CG2 4Å
69	E	98.6	Very high	95.4	Very high	124 Å²	124	45.4 Å²	45.4	58%	0.579	23%	0.231	S	C	*	.	H	α-helix	trans	-63.2	-33.2	178	68.3	-77.9	-175.3	0	0	112.5	P67 H73	P67-E69 VanDerWaalsContact C-N 3.32Å; P67-E69 HydrophobicContact CB-CG 4.48Å; P67-E69 WeakPolarHBondContact CB-OE1 3.3Å; P67-E69 VanDerWaalsContact CB-OE2 3.3Å; P67-E69 WeakPolarHBondContact CB-OE2 3.06Å; P67-E69 PolarHBondContact O-N 2.97Å; E69-H73 VanDerWaalsContact O-CB 3.29Å; E69-H73 WeakPolarHBondContact O-CB 3.21Å; E69-H73 PolarHBondContact O-N 2.61Å
70	V	98.7	Very high	95.5	Very high	19 Å²	19	50 Å²	50	12%	0.115	25%	0.252	C	S	.	.	H	α-helix	trans	-70.6	-39.7	176.1	174.1	0	0	0	0	110.4	V66 P67 T68 H73 L74 F320 I321	V66-V70 HydrophobicContact CG1-CB 3.57Å; V66-V70 HydrophobicContact CG1-CG1 3.35Å; P67-V70 HydrophobicContact CB-CG2 4.21Å; P67-V70 HydrophobicContact CG-CG2 4.3Å; P67-V70 WeakPolarHBondContact O-CB 3.36Å; P67-V70 PolarHBondContact O-N 3.41Å; P67-V70 VanDerWaalsContact O-N 3.07Å; T68-V70 VanDerWaalsContact C-N 3.27Å; T68-V70 PolarHBondContact O-N 3.35Å; V70-H73 PolarHBondContact O-N 3.43Å; V70-L74 WeakPolarHBondContact O-CB 3.48Å; V70-L74 PolarHBondContact O-N 2.97Å; V70-F320 HydrophobicContact CB-CZ 4.34Å; V70-F320 HydrophobicContact CG1-CE1 3.86Å; V70-F320 HydrophobicContact CG1-CZ 3.74Å; V70-F320 HydrophobicContact CG2-CZ 4.46Å; V70-I321 HydrophobicContact CG1-CD1 3.85Å
71	K	98.8	Very high	95.8	Very high	12 Å²	12	48 Å²	48	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-46.3	175.3	-64.8	173.8	-179	157.9	0	111.8	L59 V66 P67 T68 L74 I75 Q99 D102 V106	L59-K71 HydrophobicContact CD1-CG 3.85Å; V66-K71 HydrophobicContact CB-CG 4.33Å; V66-K71 HydrophobicContact CG1-CG 3.96Å; V66-K71 VanDerWaalsContact O-CE 3.23Å; V66-K71 WeakPolarHBondContact O-CE 3.45Å; V66-K71 PolarHBondContact O-NZ 2.84Å; P67-K71 PolarHBondContact O-N 3.38Å; T68-K71 WeakPolarHBondContact O-CB 3.39Å; T68-K71 PolarHBondContact O-N 3.09Å; K71-L74 PolarHBondContact O-N 3Å; K71-I75 WeakPolarHBondContact O-CG1 3.35Å; K71-I75 PolarHBondContact O-N 3.01Å; K71-Q99 WeakPolarHBondContact CE-O 3.5Å; K71-Q99 PolarHBondContact NZ-O 3.34Å; K71-D102 WeakPolarHBondContact CD-OD2 3.44Å; K71-D102 IonicContact NZ-OD1 3.38Å; K71-D102 PolarHBondContact NZ-OD1 3.49Å; K71-D102 IonicContact NZ-OD2 2.63Å; K71-D102 PolarHBondContact NZ-OD2 3.22Å; K71-V106 HydrophobicContact CB-CG2 4.06Å; K71-V106 HydrophobicContact CD-CG2 4.03Å
72	I	98.9	Very high	96.5	Very high	31 Å²	31	46.6 Å²	46.6	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-50.8	176.6	-70	162.7	0	0	0	109.6	T68 L74 I75 D76 G109 I110	T68-I72 HydrophobicContact CG2-CD1 3.91Å; T68-I72 WeakPolarHBondContact O-CG1 3.22Å; T68-I72 PolarHBondContact O-N 2.85Å; I72-L74 VanDerWaalsContact C-N 3.31Å; I72-L74 PolarHBondContact O-N 2.65Å; I72-I75 PolarHBondContact O-N 3.27Å; I72-D76 PolarHBondContact O-N 3.17Å; I72-G109 WeakPolarHBondContact CG2-O 3.47Å; I72-I110 HydrophobicContact CB-CG2 4.48Å; I72-I110 HydrophobicContact CG1-CG2 4.37Å; I72-I110 HydrophobicContact CG2-CG2 4.26Å
73	H	98.8	Very high	97	Very high	90 Å²	90	45.6 Å²	45.6	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-61.4	-39.8	-179.2	-168.4	57.1	0	0	0	112.3	E69 V70 D76 M77 F320	E69-H73 VanDerWaalsContact O-CB 3.29Å; E69-H73 WeakPolarHBondContact O-CB 3.21Å; E69-H73 PolarHBondContact O-N 2.61Å; V70-H73 PolarHBondContact O-N 3.43Å; H73-D76 PolarHBondContact O-N 2.74Å; H73-M77 VanDerWaalsContact O-CG 3.29Å; H73-M77 WeakPolarHBondContact O-CG 3.26Å; H73-M77 PolarHBondContact O-N 2.81Å; H73-F320 HydrophobicContact CB-CE1 4.23Å; H73-F320 HydrophobicContact CB-CZ 4.14Å; H73-F320 AromaticContact CD2-CE1 3.7Å; H73-F320 AromaticContact CD2-CE2 3.71Å; H73-F320 AromaticContact CD2-CZ 3.48Å; H73-F320 VanDerWaalsContact CD2-CZ 3.48Å; H73-F320 WeakPolarHBondContact CD2-CZ 3.45Å
74	L	98.9	Very high	97.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.8	-50.1	174.3	175.1	61.5	0	0	0	111.8	P55 L59 V70 K71 I72 D76 M77 L78 V275 A317 F320 I321	P55-L74 HydrophobicContact CB-CD2 4.5Å; P55-L74 HydrophobicContact CG-CD2 4.14Å; P55-L74 HydrophobicContact CG-CG 4.35Å; L59-L74 HydrophobicContact CD1-CD2 4.39Å; V70-L74 WeakPolarHBondContact O-CB 3.48Å; V70-L74 PolarHBondContact O-N 2.97Å; K71-L74 PolarHBondContact O-N 3Å; I72-L74 VanDerWaalsContact C-N 3.31Å; I72-L74 PolarHBondContact O-N 2.65Å; L74-D76 VanDerWaalsContact C-N 3.27Å; L74-D76 PolarHBondContact O-N 3.36Å; L74-M77 PolarHBondContact O-N 2.87Å; L74-L78 HydrophobicContact CD1-CD1 3.86Å; L74-L78 HydrophobicContact CD1-CG 4.05Å; L74-L78 HydrophobicContact CG-CD1 3.79Å; L74-L78 HydrophobicContact CG-CG 4.41Å; L74-L78 WeakPolarHBondContact O-CB 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.24Å; L74-V275 HydrophobicContact CD1-CG1 4.31Å; L74-A317 HydrophobicContact CD1-CB 4.33Å; L74-F320 HydrophobicContact CB-CE1 4.3Å; L74-I321 HydrophobicContact CD1-CB 3.99Å; L74-I321 HydrophobicContact CD1-CG2 4.12Å; L74-I321 HydrophobicContact CD2-CB 4.12Å; L74-I321 HydrophobicContact CD2-CD1 4.04Å; L74-I321 HydrophobicContact CD2-CG1 3.81Å
75	I	98.9	Very high	98.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-39.5	-179.6	-67.1	161.6	0	0	0	111	P55 K71 I72 L78 S79 I86 A88 V106 I110 Y118	P55-I75 HydrophobicContact CB-CD1 3.99Å; P55-I75 HydrophobicContact CB-CG1 3.59Å; P55-I75 HydrophobicContact CG-CG1 3.68Å; K71-I75 WeakPolarHBondContact O-CG1 3.35Å; K71-I75 PolarHBondContact O-N 3.01Å; I72-I75 PolarHBondContact O-N 3.27Å; I75-L78 PolarHBondContact O-N 3.15Å; I75-S79 PolarHBondContact O-N 2.69Å; I75-S79 PolarHBondContact O-OG 3.26Å; I75-I86 HydrophobicContact CG1-CG2 4.4Å; I75-I86 HydrophobicContact CG2-CG2 4.17Å; I75-A88 HydrophobicContact CD1-CB 3.99Å; I75-V106 HydrophobicContact CD1-CG1 3.55Å; I75-I110 HydrophobicContact CB-CG2 3.79Å; I75-I110 HydrophobicContact CD1-CG2 3.78Å; I75-I110 HydrophobicContact CG1-CG2 4.41Å; I75-I110 HydrophobicContact CG2-CB 4.21Å; I75-I110 HydrophobicContact CG2-CD1 4.31Å; I75-I110 HydrophobicContact CG2-CG2 3.66Å; I75-Y118 HydrophobicContact CG2-CD1 3.89Å; I75-Y118 HydrophobicContact CG2-CE1 3.71Å
76	D	98.9	Very high	98.5	Very high	20 Å²	20	29.3 Å²	29.3	11%	0.107	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-51.4	176.2	-72.4	-8.6	0	0	0	110.6	I72 H73 L74 L78 S79 E80 N111	I72-D76 PolarHBondContact O-N 3.17Å; H73-D76 PolarHBondContact O-N 2.74Å; L74-D76 VanDerWaalsContact C-N 3.27Å; L74-D76 PolarHBondContact O-N 3.36Å; D76-L78 VanDerWaalsContact C-N 3.29Å; D76-L78 PolarHBondContact O-N 3.39Å; D76-S79 CarbonylContact O-C 3.47Å; D76-S79 WeakPolarHBondContact O-CA 3.39Å; D76-S79 VanDerWaalsContact O-CB 3.25Å; D76-S79 WeakPolarHBondContact O-CB 3.41Å; D76-S79 PolarHBondContact O-N 2.59Å; D76-E80 WeakPolarHBondContact O-CG 3.28Å; D76-E80 PolarHBondContact O-N 2.95Å; D76-N111 PolarHBondContact OD1-N 2.91Å; D76-N111 PolarHBondContact OD2-ND2 3.49Å
77	M	98.9	Very high	98.7	Very high	36 Å²	36	28.7 Å²	28.7	18%	0.177	16%	0.157	C	C	.	.	H	α-helix	trans	-55	-43.1	176.2	-71.3	-177.5	80.9	0	0	112.3	H73 L74 S79 E80 A81 D316 A317 F320	H73-M77 VanDerWaalsContact O-CG 3.29Å; H73-M77 WeakPolarHBondContact O-CG 3.26Å; H73-M77 PolarHBondContact O-N 2.81Å; L74-M77 PolarHBondContact O-N 2.87Å; M77-S79 VanDerWaalsContact C-N 3.31Å; M77-S79 PolarHBondContact O-N 3.17Å; M77-E80 CarbonylContact O-C 3.53Å; M77-E80 WeakPolarHBondContact O-CA 3.38Å; M77-E80 WeakPolarHBondContact O-CB 3.2Å; M77-E80 PolarHBondContact O-N 2.84Å; M77-A81 PolarHBondContact O-N 2.98Å; M77-D316 HydrophobicContact CE-CB 4.16Å; M77-A317 HydrophobicContact CB-CB 3.78Å; M77-A317 HydrophobicContact CE-CB 4.21Å; M77-A317 HydrophobicContact SD-CB 4.47Å; M77-F320 HydrophobicContact CE-CB 4.17Å; M77-F320 HydrophobicContact SD-CB 3.89Å; M77-F320 HydrophobicContact SD-CD1 3.8Å; M77-F320 HydrophobicContact SD-CG 3.84Å
78	L	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.3	-36.9	176.7	-68.9	168.1	0	0	0	111.8	E52 P55 L74 I75 D76 E80 A81 L83 I86 V275 L314 A317	E52-L78 HydrophobicContact CG-CD1 3.75Å; E52-L78 HydrophobicContact CG-CD2 4.13Å; E52-L78 HydrophobicContact CG-CG 4.4Å; P55-L78 HydrophobicContact CG-CD1 3.54Å; L74-L78 HydrophobicContact CD1-CD1 3.86Å; L74-L78 HydrophobicContact CD1-CG 4.05Å; L74-L78 HydrophobicContact CG-CD1 3.79Å; L74-L78 HydrophobicContact CG-CG 4.41Å; L74-L78 WeakPolarHBondContact O-CB 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.24Å; I75-L78 PolarHBondContact O-N 3.15Å; D76-L78 VanDerWaalsContact C-N 3.29Å; D76-L78 PolarHBondContact O-N 3.39Å; L78-E80 VanDerWaalsContact C-N 3.25Å; L78-E80 PolarHBondContact O-N 2.88Å; L78-A81 PolarHBondContact O-N 3.2Å; L78-L83 HydrophobicContact CB-CD1 3.8Å; L78-L83 HydrophobicContact CD2-CD1 3.67Å; L78-L83 HydrophobicContact CG-CD1 4.27Å; L78-L83 PolarHBondContact O-N 3.46Å; L78-I86 HydrophobicContact CB-CD1 3.74Å; L78-I86 HydrophobicContact CB-CG1 4.29Å; L78-I86 HydrophobicContact CD1-CG2 4.3Å; L78-V275 HydrophobicContact CD2-CB 3.99Å; L78-V275 HydrophobicContact CD2-CG2 3.91Å; L78-L314 HydrophobicContact CD2-CD1 3.67Å; L78-A317 HydrophobicContact CD2-CB 3.97Å; L78-A317 HydrophobicContact CG-CB 4.36Å
79	S	98.7	Very high	98.7	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-31.7	172.3	-51.6	0	0	0	0	111.3	I75 D76 M77 G82 I86 R113 Y118	I75-S79 PolarHBondContact O-N 2.69Å; I75-S79 PolarHBondContact O-OG 3.26Å; D76-S79 CarbonylContact O-C 3.47Å; D76-S79 WeakPolarHBondContact O-CA 3.39Å; D76-S79 VanDerWaalsContact O-CB 3.25Å; D76-S79 WeakPolarHBondContact O-CB 3.41Å; D76-S79 PolarHBondContact O-N 2.59Å; M77-S79 VanDerWaalsContact C-N 3.31Å; M77-S79 PolarHBondContact O-N 3.17Å; S79-G82 PolarHBondContact O-N 3.14Å; S79-I86 VanDerWaalsContact OG-CD1 3.25Å; S79-I86 WeakPolarHBondContact OG-CD1 3.43Å; S79-R113 PolarHBondContact O-NH1 2.76Å; S79-Y118 WeakPolarHBondContact CB-OH 3.44Å; S79-Y118 WeakPolarHBondContact OG-CE1 3.39Å; S79-Y118 PolarHBondContact OG-OH 3.36Å
80	E	98.5	Very high	98.7	Very high	98 Å²	98	18.2 Å²	18.2	46%	0.458	10%	0.1	S	C	.	.	H	α-helix	trans	-74.9	-27.6	175.7	-39.5	-149.1	131.1	0	0	114.5	D76 M77 L78 G82 R113 K313	D76-E80 WeakPolarHBondContact O-CG 3.28Å; D76-E80 PolarHBondContact O-N 2.95Å; M77-E80 CarbonylContact O-C 3.53Å; M77-E80 WeakPolarHBondContact O-CA 3.38Å; M77-E80 WeakPolarHBondContact O-CB 3.2Å; M77-E80 PolarHBondContact O-N 2.84Å; L78-E80 VanDerWaalsContact C-N 3.25Å; L78-E80 PolarHBondContact O-N 2.88Å; E80-G82 PolarHBondContact O-N 2.93Å; E80-R113 VanDerWaalsContact CA-NH1 3.32Å; E80-R113 VanDerWaalsContact CG-NH2 3.25Å; E80-R113 IonicContact OE1-CZ 2.76Å; E80-R113 IonicContact OE1-NH2 3.61Å; E80-R113 PolarHBondContact OE1-NH2 2.93Å; E80-K313 WeakPolarHBondContact O-CD 3.2Å
81	A	98.7	Very high	98.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.008	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-4.9	172.1	0	0	0	0	0	113	M77 L78 V309 D310 K313 L314	M77-A81 PolarHBondContact O-N 2.98Å; L78-A81 PolarHBondContact O-N 3.2Å; A81-V309 CarbonylContact O-C 3.58Å; A81-V309 VanDerWaalsContact O-CA 3.29Å; A81-V309 WeakPolarHBondContact O-CA 3.19Å; A81-D310 PolarHBondContact O-N 3.45Å; A81-K313 HydrophobicContact CB-CB 3.96Å; A81-L314 HydrophobicContact CB-CB 4.08Å
82	G	98.5	Very high	98.5	Very high	32 Å²	32	18 Å²	18	33%	0.33	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	16	175.2	0	0	0	0	0	114.6	S79 E80	S79-G82 PolarHBondContact O-N 3.14Å; E80-G82 PolarHBondContact O-N 2.93Å
83	L	98.8	Very high	98.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.			trans	-65.4	127	174.2	-76.5	161	0	0	0	110.6	I50 E52 L78 I86 V116 T293 V309 L314	I50-L83 HydrophobicContact CB-CD2 4.03Å; I50-L83 HydrophobicContact CG2-CD2 3.68Å; E52-L83 HydrophobicContact CB-CD1 3.62Å; E52-L83 HydrophobicContact CB-CD2 4.07Å; E52-L83 HydrophobicContact CB-CG 4.32Å; E52-L83 HydrophobicContact CG-CD1 3.71Å; L78-L83 HydrophobicContact CB-CD1 3.8Å; L78-L83 HydrophobicContact CD2-CD1 3.67Å; L78-L83 HydrophobicContact CG-CD1 4.27Å; L78-L83 PolarHBondContact O-N 3.46Å; L83-I86 HydrophobicContact CB-CD1 4.18Å; L83-I86 HydrophobicContact CB-CG1 3.9Å; L83-I86 HydrophobicContact CD1-CG1 4.48Å; L83-V116 WeakPolarHBondContact O-CG1 3.43Å; L83-T293 HydrophobicContact CD2-CG2 4.38Å; L83-V309 HydrophobicContact CD2-CG2 3.84Å; L83-V309 HydrophobicContact CG-CG2 4.26Å; L83-L314 HydrophobicContact CD1-CD1 4.04Å
84	P	98.4	Very high	97.9	Very high	30 Å²	30	17.3 Å²	17.3	20%	0.195	11%	0.107	C	C	.	.	S	Bend	trans	-79.2	-22.1	-176.3	31.2	-35.3	0	0	0	113	K49 V116 S117	K49-P84 HydrophobicContact CG-CG 3.87Å; P84-V116 WeakPolarHBondContact O-CA 3.48Å; P84-S117 PolarHBondContact O-N 2.89Å
85	V	98.9	Very high	97.5	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.042	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	126.6	-179.3	-171.5	0	0	0	0	109.1	K49 V51 E52 S117 P119	K49-V85 HydrophobicContact CD-CG2 3.92Å; K49-V85 HydrophobicContact CG-CG2 4.29Å; V51-V85 HydrophobicContact CB-CB 4.44Å; V51-V85 HydrophobicContact CB-CG1 4.48Å; V51-V85 HydrophobicContact CG1-CB 4.26Å; V51-V85 HydrophobicContact CG1-CG1 3.82Å; V51-V85 HydrophobicContact CG2-CB 4.1Å; V51-V85 HydrophobicContact CG2-CG1 4.23Å; V51-V85 HydrophobicContact CG2-CG2 4.45Å; E52-V85 PolarHBondContact N-O 3.25Å; V85-S117 WeakPolarHBondContact CA-O 3.47Å; V85-P119 HydrophobicContact CG1-CG 3.62Å
86	I	98.9	Very high	97	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	111.9	179.4	-58	161	0	0	0	108.4	E52 P55 I75 L78 S79 L83 A88 V116 S117 Y118 P119	E52-I86 HydrophobicContact CB-CG1 4.27Å; E52-I86 HydrophobicContact CG-CG2 4.39Å; E52-I86 CarbonylContact O-C 3.42Å; E52-I86 WeakPolarHBondContact O-CA 3.48Å; P55-I86 HydrophobicContact CG-CG2 3.86Å; I75-I86 HydrophobicContact CG1-CG2 4.4Å; I75-I86 HydrophobicContact CG2-CG2 4.17Å; L78-I86 HydrophobicContact CB-CD1 3.74Å; L78-I86 HydrophobicContact CB-CG1 4.29Å; L78-I86 HydrophobicContact CD1-CG2 4.3Å; S79-I86 VanDerWaalsContact OG-CD1 3.25Å; S79-I86 WeakPolarHBondContact OG-CD1 3.43Å; L83-I86 HydrophobicContact CB-CD1 4.18Å; L83-I86 HydrophobicContact CB-CG1 3.9Å; L83-I86 HydrophobicContact CD1-CG1 4.48Å; I86-A88 PolarHBondContact O-N 3.4Å; I86-V116 HydrophobicContact CD1-CG1 4.18Å; I86-S117 PolarHBondContact N-O 3.36Å; I86-Y118 HydrophobicContact CB-CD1 4.26Å; I86-Y118 HydrophobicContact CB-CE1 4.46Å; I86-Y118 HydrophobicContact CD1-CE1 4.09Å; I86-Y118 VanDerWaalsContact O-CA 3.32Å; I86-Y118 WeakPolarHBondContact O-CA 3.29Å; I86-P119 WeakPolarHBondContact O-CD 3.48Å
87	E	98.8	Very high	96.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.			trans	-70.8	103.6	176.1	-160.9	-176.8	-148.3	0	0	109.8	E52 V53 R56 P119 Y182	E52-E87 PolarHBondContact O-N 3.47Å; V53-E87 HydrophobicContact CB-CB 4.5Å; V53-E87 HydrophobicContact CG1-CB 4.26Å; R56-E87 HydrophobicContact CB-CB 4.26Å; R56-E87 HydrophobicContact CB-CG 3.92Å; R56-E87 WeakPolarHBondContact CB-O 3.46Å; R56-E87 HydrophobicContact CG-CG 4.24Å; R56-E87 IonicContact CZ-OE1 2.8Å; R56-E87 IonicContact CZ-OE2 3.88Å; R56-E87 PolarHBondContact N-O 2.89Å; R56-E87 IonicContact NE-OE1 3.73Å; R56-E87 PolarHBondContact NE-OE1 3.41Å; R56-E87 IonicContact NE-OE2 2.67Å; R56-E87 PolarHBondContact NE-OE2 2.9Å; R56-E87 IonicContact NH2-OE1 2.66Å; R56-E87 PolarHBondContact NH2-OE1 3.35Å; R56-E87 IonicContact NH2-OE2 3.85Å; R56-E87 PolarHBondContact NH2-OE2 3.14Å; E87-P119 CarbonylContact C-O 3.57Å; E87-P119 WeakPolarHBondContact CA-O 3.3Å; E87-P119 HydrophobicContact CB-CG 4.32Å; E87-P119 HydrophobicContact CG-CG 4.39Å; E87-Y182 PolarHBondContact OE1-OH 2.85Å
88	A	98.6	Very high	96.5	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	19%	0.188	C	C	.	.			trans	-80.3	-40.1	-160.9	0	0	0	0	0	112.9	I75 I86 M107 P119 V120	I75-A88 HydrophobicContact CD1-CB 3.99Å; I86-A88 PolarHBondContact O-N 3.4Å; A88-M107 HydrophobicContact CB-SD 3.66Å; A88-P119 PolarHBondContact N-O 3.08Å; A88-V120 HydrophobicContact CB-CG1 4.27Å
89	T	98.6	Very high	96.4	Very high	2 Å²	2	37 Å²	37	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-175.4	-176.3	-167.2	0	0	0	0	111.5	R56 F91 Q103 M107 V120 L121	R56-T89 VanDerWaalsContact CG-C 3.42Å; R56-T89 WeakPolarHBondContact CG-O 3.35Å; T89-F91 HydrophobicContact CG2-CD2 4.33Å; T89-F91 HydrophobicContact CG2-CE2 3.85Å; T89-Q103 HydrophobicContact CG2-CB 3.83Å; T89-Q103 WeakPolarHBondContact OG1-CA 3.45Å; T89-Q103 WeakPolarHBondContact OG1-CB 3.29Å; T89-M107 HydrophobicContact CG2-CG 3.7Å; T89-M107 HydrophobicContact CG2-SD 4.18Å; T89-V120 HydrophobicContact CG2-CB 4.28Å; T89-V120 HydrophobicContact CG2-CG1 3.66Å; T89-V120 VanDerWaalsContact O-CA 3.24Å; T89-V120 WeakPolarHBondContact O-CA 3.32Å; T89-V120 WeakPolarHBondContact O-CB 3.32Å; T89-L121 PolarHBondContact O-N 3Å
90	S	98.1	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.3	-177.1	-177.6	0	0	0	0	110.8	V92 Q103 L121	S90-V92 PolarHBondContact O-N 3.38Å; S90-V92 WeakPolarHBondContact OG-CG1 3.41Å; S90-V92 WeakPolarHBondContact OG-CG2 3.22Å; S90-Q103 PolarHBondContact O-OE1 3.07Å; S90-L121 WeakPolarHBondContact OG-CB 3.35Å; S90-L121 WeakPolarHBondContact OG-CD2 3.31Å
91	F	97.8	Very high	96.3	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.013	19%	0.194	C	C	.	.			trans	-81	51.6	175.9	-76.5	-100.6	0	0	0	112.8	T89 Q103 V104 M107 V120 L121 T122 P123 G127 A130 A131 A134	T89-F91 HydrophobicContact CG2-CD2 4.33Å; T89-F91 HydrophobicContact CG2-CE2 3.85Å; F91-Q103 HydrophobicContact CD1-CG 3.88Å; F91-Q103 HydrophobicContact CD2-CB 4.44Å; F91-Q103 HydrophobicContact CE1-CB 4.38Å; F91-Q103 HydrophobicContact CE1-CG 3.8Å; F91-Q103 HydrophobicContact CE2-CB 4.26Å; F91-Q103 HydrophobicContact CG-CG 4.29Å; F91-Q103 HydrophobicContact CZ-CB 4.22Å; F91-Q103 HydrophobicContact CZ-CG 4.12Å; F91-V104 HydrophobicContact CE1-CG2 3.95Å; F91-M107 HydrophobicContact CE2-CG 4Å; F91-M107 HydrophobicContact CZ-CG 4.15Å; F91-V120 HydrophobicContact CD2-CB 3.9Å; F91-V120 HydrophobicContact CD2-CG1 4.48Å; F91-V120 HydrophobicContact CD2-CG2 3.69Å; F91-V120 HydrophobicContact CE2-CB 4.02Å; F91-V120 HydrophobicContact CE2-CG1 4.12Å; F91-V120 HydrophobicContact CE2-CG2 3.8Å; F91-L121 PolarHBondContact N-O 3.16Å; F91-T122 HydrophobicContact CB-CG2 4.31Å; F91-P123 WeakPolarHBondContact O-CD 3.31Å; F91-G127 WeakPolarHBondContact CB-O 3.46Å; F91-A130 HydrophobicContact CD1-CB 3.65Å; F91-A130 HydrophobicContact CE1-CB 4.03Å; F91-A131 HydrophobicContact CB-CB 4.43Å; F91-A131 HydrophobicContact CD1-CB 4.11Å; F91-A131 HydrophobicContact CD2-CB 3.61Å; F91-A131 HydrophobicContact CE1-CB 4.31Å; F91-A131 HydrophobicContact CE2-CB 3.84Å; F91-A131 HydrophobicContact CG-CB 3.77Å; F91-A131 HydrophobicContact CZ-CB 4.2Å; F91-A134 HydrophobicContact CE1-CB 4.11Å; F91-A134 HydrophobicContact CZ-CB 3.65Å
92	V	94.4	Very high	96.2	Very high	23 Å²	23	35.6 Å²	35.6	14%	0.139	20%	0.199	C	C	.	.	S	Bend	trans	-92.4	177	178.3	-72.6	0	0	0	0	111	S90 P94 V97 M100 Q103 P123	S90-V92 PolarHBondContact O-N 3.38Å; S90-V92 WeakPolarHBondContact OG-CG1 3.41Å; S90-V92 WeakPolarHBondContact OG-CG2 3.22Å; V92-P94 WeakPolarHBondContact O-CD 3.35Å; V92-V97 HydrophobicContact CB-CG2 4.47Å; V92-V97 HydrophobicContact CG2-CB 3.69Å; V92-V97 HydrophobicContact CG2-CG1 4.16Å; V92-V97 HydrophobicContact CG2-CG2 3.95Å; V92-M100 HydrophobicContact CG2-CB 4Å; V92-Q103 PolarHBondContact O-OE1 3.14Å; V92-P123 HydrophobicContact CB-CG 4.48Å; V92-P123 HydrophobicContact CG1-CB 4.42Å; V92-P123 HydrophobicContact CG1-CG 3.75Å
93	S	92.9	Very high	96.2	Very high	45 Å²	45	35.1 Å²	35.1	32%	0.315	19%	0.189	S	C	.	.			trans	-72.2	126.6	172.5	-174.1	0	0	0	0	110.3	E95 W96 V97	S93-E95 PolarHBondContact O-N 3.32Å; S93-E95 PolarHBondContact OG-N 3.23Å; S93-W96 VanDerWaalsContact CB-CD1 3.49Å; S93-W96 PolarHBondContact O-N 3.25Å; S93-W96 VanDerWaalsContact O-N 3.1Å; S93-V97 PolarHBondContact O-N 3.01Å
94	P	92.6	Very high	96.2	Very high	62 Å²	62	37.1 Å²	37.1	40%	0.403	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.1	172.6	-26.5	36.5	0	0	0	113.7	V92 W96 V97 P98 A101	V92-P94 WeakPolarHBondContact O-CD 3.35Å; P94-W96 VanDerWaalsContact C-N 3.34Å; P94-V97 CarbonylContact O-C 3.48Å; P94-P98 VanDerWaalsContact O-CA 3.31Å; P94-P98 WeakPolarHBondContact O-CA 3.5Å; P94-A101 HydrophobicContact CB-CB 3.76Å; P94-A101 HydrophobicContact CG-CB 4.3Å
95	E	91.4	Very high	96.2	Very high	170 Å²	170	40.8 Å²	40.8	79%	0.794	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-36.1	177.3	-63.1	-178.9	169.5	0	0	112.3	S93	S93-E95 PolarHBondContact O-N 3.32Å; S93-E95 PolarHBondContact OG-N 3.23Å
96	W	88.8	Confident	96.2	Very high	173 Å²	173	40.5 Å²	40.5	66%	0.655	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-31.9	-178.4	-64.6	116.2	0	0	0	111.8	S93 P94	S93-W96 VanDerWaalsContact CB-CD1 3.49Å; S93-W96 PolarHBondContact O-N 3.25Å; S93-W96 VanDerWaalsContact O-N 3.1Å; P94-W96 VanDerWaalsContact C-N 3.34Å
97	V	91.9	Very high	96.2	Very high	24 Å²	24	40.6 Å²	40.6	15%	0.145	21%	0.214	C	C	.	.			trans	-136.3	77.5	-176	-171.4	0	0	0	0	109.4	Q60 V92 S93 P94 Q99 M100	Q60-V97 HydrophobicContact CG-CG1 3.61Å; V92-V97 HydrophobicContact CB-CG2 4.47Å; V92-V97 HydrophobicContact CG2-CB 3.69Å; V92-V97 HydrophobicContact CG2-CG1 4.16Å; V92-V97 HydrophobicContact CG2-CG2 3.95Å; S93-V97 PolarHBondContact O-N 3.01Å; P94-V97 CarbonylContact O-C 3.48Å; V97-Q99 HydrophobicContact CG1-CB 4.43Å; V97-Q99 PolarHBondContact O-N 3.17Å; V97-M100 HydrophobicContact CG1-CB 4.11Å; V97-M100 HydrophobicContact CG1-CG 3.84Å; V97-M100 PolarHBondContact O-N 3.13Å; V97-M100 VanDerWaalsContact O-N 3.08Å
98	P	95.1	Very high	96.1	Very high	63 Å²	63	47.8 Å²	47.8	41%	0.409	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-62.9	-24.1	-177.2	24.1	-33.8	0	0	0	113	L65 P94 M100 A101	L65-P98 HydrophobicContact CD2-CB 4.34Å; P94-P98 VanDerWaalsContact O-CA 3.31Å; P94-P98 WeakPolarHBondContact O-CA 3.5Å; P98-M100 PolarHBondContact O-N 3.14Å; P98-M100 VanDerWaalsContact O-N 3.14Å; P98-A101 WeakPolarHBondContact O-CB 3.35Å; P98-A101 PolarHBondContact O-N 3.46Å
99	Q	95.8	Very high	96.1	Very high	39 Å²	39	49.2 Å²	49.2	18%	0.182	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-55.8	-28.5	174.3	-71.3	77.3	-2	0	0	112.5	E62 L65 K71 V97	E62-Q99 PolarHBondContact O-NE2 3.28Å; L65-Q99 HydrophobicContact CD2-CB 4.45Å; L65-Q99 HydrophobicContact CD2-CG 4.04Å; K71-Q99 WeakPolarHBondContact CE-O 3.5Å; K71-Q99 PolarHBondContact NZ-O 3.34Å; V97-Q99 HydrophobicContact CG1-CB 4.43Å; V97-Q99 PolarHBondContact O-N 3.17Å
100	M	97.4	Very high	96.1	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-109.4	14.1	-175.1	-62.2	-67.9	122.8	0	0	112.8	R56 L59 Q60 V92 V97 P98 D102 Q103	R56-M100 HydrophobicContact CG-SD 4.41Å; L59-M100 HydrophobicContact CB-CE 3.91Å; Q60-M100 HydrophobicContact CB-CE 4.29Å; V92-M100 HydrophobicContact CG2-CB 4Å; V97-M100 HydrophobicContact CG1-CB 4.11Å; V97-M100 HydrophobicContact CG1-CG 3.84Å; V97-M100 PolarHBondContact O-N 3.13Å; V97-M100 VanDerWaalsContact O-N 3.08Å; P98-M100 PolarHBondContact O-N 3.14Å; P98-M100 VanDerWaalsContact O-N 3.14Å; M100-D102 PolarHBondContact O-N 3.22Å; M100-Q103 WeakPolarHBondContact O-CB 3.49Å; M100-Q103 PolarHBondContact O-N 3.45Å; M100-Q103 PolarHBondContact O-OE1 3.49Å
101	A	97.3	Very high	96.1	Very high	50 Å²	50	55 Å²	55	41%	0.413	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.6	-174.8	0	0	0	0	0	114.4	P94 P98 Q103	P94-A101 HydrophobicContact CB-CB 3.76Å; P94-A101 HydrophobicContact CG-CB 4.3Å; P98-A101 WeakPolarHBondContact O-CB 3.35Å; P98-A101 PolarHBondContact O-N 3.46Å; A101-Q103 VanDerWaalsContact C-N 3.32Å; A101-Q103 PolarHBondContact O-N 2.97Å
102	D	98	Very high	96.1	Very high	20 Å²	20	59.7 Å²	59.7	11%	0.107	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	21.6	-176.7	58.7	-6.6	0	0	0	113.4	T68 K71 M100 V104 E105 V106	T68-D102 VanDerWaalsContact CA-OD2 3.3Å; T68-D102 WeakPolarHBondContact CA-OD2 3.38Å; T68-D102 WeakPolarHBondContact CB-OD2 3.27Å; T68-D102 HydrophobicContact CG2-CB 4.11Å; T68-D102 VanDerWaalsContact OG1-CB 3.3Å; T68-D102 WeakPolarHBondContact OG1-CB 3.48Å; T68-D102 PolarHBondContact OG1-OD2 3.33Å; K71-D102 WeakPolarHBondContact CD-OD2 3.44Å; K71-D102 IonicContact NZ-OD1 3.38Å; K71-D102 PolarHBondContact NZ-OD1 3.49Å; K71-D102 IonicContact NZ-OD2 2.63Å; K71-D102 PolarHBondContact NZ-OD2 3.22Å; M100-D102 PolarHBondContact O-N 3.22Å; D102-V104 PolarHBondContact O-N 2.99Å; D102-V104 VanDerWaalsContact O-N 3.12Å; D102-E105 WeakPolarHBondContact CA-OE2 3.5Å; D102-E105 PolarHBondContact O-N 3.46Å; D102-E105 VanDerWaalsContact O-N 3.16Å; D102-V106 WeakPolarHBondContact O-CG2 3.15Å; D102-V106 PolarHBondContact O-N 3.45Å
103	Q	98.1	Very high	96.2	Very high	23 Å²	23	63.3 Å²	63.3	11%	0.107	32%	0.32	C	S	.	.	H	α-helix	trans	-50.1	-35	-178.7	65	-161.6	30.2	0	0	114.6	T89 S90 F91 V92 M100 A101 M107	T89-Q103 HydrophobicContact CG2-CB 3.83Å; T89-Q103 WeakPolarHBondContact OG1-CA 3.45Å; T89-Q103 WeakPolarHBondContact OG1-CB 3.29Å; S90-Q103 PolarHBondContact O-OE1 3.07Å; F91-Q103 HydrophobicContact CD1-CG 3.88Å; F91-Q103 HydrophobicContact CD2-CB 4.44Å; F91-Q103 HydrophobicContact CE1-CB 4.38Å; F91-Q103 HydrophobicContact CE1-CG 3.8Å; F91-Q103 HydrophobicContact CE2-CB 4.26Å; F91-Q103 HydrophobicContact CG-CG 4.29Å; F91-Q103 HydrophobicContact CZ-CB 4.22Å; F91-Q103 HydrophobicContact CZ-CG 4.12Å; V92-Q103 PolarHBondContact O-OE1 3.14Å; M100-Q103 WeakPolarHBondContact O-CB 3.49Å; M100-Q103 PolarHBondContact O-N 3.45Å; M100-Q103 PolarHBondContact O-OE1 3.49Å; A101-Q103 VanDerWaalsContact C-N 3.32Å; A101-Q103 PolarHBondContact O-N 2.97Å; Q103-M107 WeakPolarHBondContact O-CB 3.41Å; Q103-M107 WeakPolarHBondContact O-CG 3.47Å; Q103-M107 PolarHBondContact O-N 3.07Å
104	V	98.4	Very high	96.3	Very high	42 Å²	42	67.5 Å²	67.5	26%	0.255	35%	0.346	S	S	.	.	H	α-helix	trans	-76.4	-44.4	-178.1	175.1	0	0	0	0	110.3	F91 D102 M107 K108	F91-V104 HydrophobicContact CE1-CG2 3.95Å; D102-V104 PolarHBondContact O-N 2.99Å; D102-V104 VanDerWaalsContact O-N 3.12Å; V104-M107 PolarHBondContact O-N 3.3Å; V104-K108 HydrophobicContact CG1-CD 4.06Å; V104-K108 WeakPolarHBondContact O-CB 3.47Å; V104-K108 WeakPolarHBondContact O-CG 3.35Å; V104-K108 PolarHBondContact O-N 3Å; V104-K108 VanDerWaalsContact O-N 3.1Å
105	E	98.6	Very high	96.5	Very high	107 Å²	107	68.3 Å²	68.3	50%	0.5	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-43.2	179.3	-66	69.2	-155.3	0	0	110.3	T68 D102 K108 G109	T68-E105 HydrophobicContact CG2-CB 3.77Å; D102-E105 WeakPolarHBondContact CA-OE2 3.5Å; D102-E105 PolarHBondContact O-N 3.46Å; D102-E105 VanDerWaalsContact O-N 3.16Å; E105-K108 PolarHBondContact O-N 3.45Å; E105-G109 PolarHBondContact O-N 2.64Å
106	V	98.7	Very high	96.8	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-58.2	-52.6	173.8	172.6	0	0	0	0	110.6	T68 K71 I75 D102 K108 G109 I110	T68-V106 HydrophobicContact CG2-CG2 4Å; K71-V106 HydrophobicContact CB-CG2 4.06Å; K71-V106 HydrophobicContact CD-CG2 4.03Å; I75-V106 HydrophobicContact CD1-CG1 3.55Å; D102-V106 WeakPolarHBondContact O-CG2 3.15Å; D102-V106 PolarHBondContact O-N 3.45Å; V106-K108 PolarHBondContact O-N 3.49Å; V106-G109 PolarHBondContact O-N 3.17Å; V106-G109 VanDerWaalsContact O-N 3.09Å; V106-I110 HydrophobicContact CG1-CG2 4.33Å; V106-I110 WeakPolarHBondContact O-CG2 3.23Å; V106-I110 PolarHBondContact O-N 3.47Å; V106-I110 VanDerWaalsContact O-N 3.13Å
107	M	98.6	Very high	97.2	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-26.1	-176.3	-76.3	-58.5	-76.6	0	0	114.7	A88 T89 F91 Q103 V104 I110 R112 V120 A134 A136	A88-M107 HydrophobicContact CB-SD 3.66Å; T89-M107 HydrophobicContact CG2-CG 3.7Å; T89-M107 HydrophobicContact CG2-SD 4.18Å; F91-M107 HydrophobicContact CE2-CG 4Å; F91-M107 HydrophobicContact CZ-CG 4.15Å; Q103-M107 WeakPolarHBondContact O-CB 3.41Å; Q103-M107 WeakPolarHBondContact O-CG 3.47Å; Q103-M107 PolarHBondContact O-N 3.07Å; V104-M107 PolarHBondContact O-N 3.3Å; M107-I110 HydrophobicContact SD-CD1 4.26Å; M107-R112 VanDerWaalsContact CE-NH2 3.3Å; M107-R112 PolarHBondContact O-NH2 3.17Å; M107-V120 HydrophobicContact CE-CG1 3.65Å; M107-V120 HydrophobicContact CG-CG1 4.03Å; M107-V120 HydrophobicContact SD-CG1 3.43Å; M107-V120 WeakPolarHBondContact SD-CG1 3.4Å; M107-A134 HydrophobicContact CB-CB 4.03Å; M107-A136 HydrophobicContact CE-CB 4.17Å
108	K	98.2	Very high	97.6	Very high	151 Å²	151	54.3 Å²	54.3	66%	0.657	31%	0.311	S	S	*	.	H	α-helix	trans	-86	-25.9	174.6	-72	178.5	177.8	178.4	0	113.1	V104 E105 V106	V104-K108 HydrophobicContact CG1-CD 4.06Å; V104-K108 WeakPolarHBondContact O-CB 3.47Å; V104-K108 WeakPolarHBondContact O-CG 3.35Å; V104-K108 PolarHBondContact O-N 3Å; V104-K108 VanDerWaalsContact O-N 3.1Å; E105-K108 PolarHBondContact O-N 3.45Å; V106-K108 PolarHBondContact O-N 3.49Å
109	G	98.4	Very high	97.7	Very high	32 Å²	32	51.4 Å²	51.4	33%	0.33	29%	0.292	S	S	.	.	H	α-helix	trans	-88.7	-23.3	-174.6	0	0	0	0	0	114.9	I72 E105 V106	I72-G109 WeakPolarHBondContact CG2-O 3.47Å; E105-G109 PolarHBondContact O-N 2.64Å; V106-G109 PolarHBondContact O-N 3.17Å; V106-G109 VanDerWaalsContact O-N 3.09Å
110	I	98.5	Very high	97.9	Very high	11 Å²	11	49.5 Å²	49.5	6%	0.056	28%	0.283	C	S	.	.	S	Bend	trans	-69.3	144.1	-179.6	58.1	168.2	0	0	0	113.2	I72 I75 V106 M107 R112 Y118	I72-I110 HydrophobicContact CB-CG2 4.48Å; I72-I110 HydrophobicContact CG1-CG2 4.37Å; I72-I110 HydrophobicContact CG2-CG2 4.26Å; I75-I110 HydrophobicContact CB-CG2 3.79Å; I75-I110 HydrophobicContact CD1-CG2 3.78Å; I75-I110 HydrophobicContact CG1-CG2 4.41Å; I75-I110 HydrophobicContact CG2-CB 4.21Å; I75-I110 HydrophobicContact CG2-CD1 4.31Å; I75-I110 HydrophobicContact CG2-CG2 3.66Å; V106-I110 HydrophobicContact CG1-CG2 4.33Å; V106-I110 WeakPolarHBondContact O-CG2 3.23Å; V106-I110 PolarHBondContact O-N 3.47Å; V106-I110 VanDerWaalsContact O-N 3.13Å; M107-I110 HydrophobicContact SD-CD1 4.26Å; I110-R112 HydrophobicContact CD1-CG 4.28Å; I110-R112 HydrophobicContact CG1-CG 4.27Å; I110-R112 PolarHBondContact O-N 3.13Å; I110-Y118 HydrophobicContact CD1-CD1 3.71Å; I110-Y118 HydrophobicContact CD1-CD2 4.4Å; I110-Y118 HydrophobicContact CD1-CE1 4.19Å; I110-Y118 HydrophobicContact CD1-CG 3.82Å
111	N	97.7	Very high	97.9	Very high	112 Å²	112	49.8 Å²	49.8	60%	0.599	28%	0.284	S	S	*	.			trans	-85.2	93.8	174.4	-70.5	-59.5	0	0	0	110.4	D76 R113 Y118	D76-N111 PolarHBondContact OD1-N 2.91Å; D76-N111 PolarHBondContact OD2-ND2 3.49Å; N111-R113 PolarHBondContact O-N 2.93Å; N111-Y118 PolarHBondContact O-OH 2.89Å
112	R	96.7	Very high	97.9	Very high	102 Å²	102	47.4 Å²	47.4	39%	0.385	26%	0.264	S	S	.	.			trans	-68	114	-177.2	-63.7	179.8	-179.1	-132.7	6.9	111.7	M107 I110 Y118 A134 G135	M107-R112 VanDerWaalsContact CE-NH2 3.3Å; M107-R112 PolarHBondContact O-NH2 3.17Å; I110-R112 HydrophobicContact CD1-CG 4.28Å; I110-R112 HydrophobicContact CG1-CG 4.27Å; I110-R112 PolarHBondContact O-N 3.13Å; R112-Y118 HydrophobicContact CB-CD2 4.48Å; R112-Y118 HydrophobicContact CB-CE2 3.96Å; R112-Y118 HydrophobicContact CG-CD2 4.11Å; R112-Y118 HydrophobicContact CG-CE2 4Å; R112-A134 PolarHBondContact NH2-O 3.46Å; R112-G135 VanDerWaalsContact CZ-O 3.29Å; R112-G135 PolarHBondContact NH1-O 3.15Å; R112-G135 PolarHBondContact NH2-O 2.96Å; R112-G135 VanDerWaalsContact NH2-O 3.08Å
113	R	96.8	Very high	97.5	Very high	99 Å²	99	47.9 Å²	47.9	37%	0.374	27%	0.269	S	S	.	.			trans	-85.3	138.4	177.5	-68.5	-167.3	166.9	-156.5	-7.1	111.9	S79 E80 N111 G115 V116 Y118	S79-R113 PolarHBondContact O-NH1 2.76Å; E80-R113 VanDerWaalsContact CA-NH1 3.32Å; E80-R113 VanDerWaalsContact CG-NH2 3.25Å; E80-R113 IonicContact OE1-CZ 2.76Å; E80-R113 IonicContact OE1-NH2 3.61Å; E80-R113 PolarHBondContact OE1-NH2 2.93Å; N111-R113 PolarHBondContact O-N 2.93Å; R113-G115 PolarHBondContact O-N 3.13Å; R113-V116 HydrophobicContact CB-CB 4.34Å; R113-V116 HydrophobicContact CB-CG2 3.85Å; R113-V116 PolarHBondContact O-N 2.88Å; R113-V116 VanDerWaalsContact O-N 3.13Å; R113-Y118 PolarHBondContact N-OH 2.83Å; R113-Y118 VanDerWaalsContact N-OH 3.15Å
114	P	95.9	Very high	97.3	Very high	133 Å²	133	50.5 Å²	50.5	86%	0.864	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	132.1	173.5	-25.6	34.5	0	0	0	111.7	V116	P114-V116 VanDerWaalsContact C-N 3.31Å; P114-V116 PolarHBondContact O-N 3.04Å
115	G	95.3	Very high	97.1	Very high	79 Å²	79	51 Å²	51	81%	0.814	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-2.8	-179.9	0	0	0	0	0	115.6	R113	R113-G115 PolarHBondContact O-N 3.13Å
116	V	98.4	Very high	97	Very high	28 Å²	28	54 Å²	54	17%	0.17	30%	0.296	C	S	.	.			trans	-99.8	133.2	174.4	-176	0	0	0	0	110.2	L83 P84 I86 R113 P114 Y118	L83-V116 WeakPolarHBondContact O-CG1 3.43Å; P84-V116 WeakPolarHBondContact O-CA 3.48Å; I86-V116 HydrophobicContact CD1-CG1 4.18Å; R113-V116 HydrophobicContact CB-CB 4.34Å; R113-V116 HydrophobicContact CB-CG2 3.85Å; R113-V116 PolarHBondContact O-N 2.88Å; R113-V116 VanDerWaalsContact O-N 3.13Å; P114-V116 VanDerWaalsContact C-N 3.31Å; P114-V116 PolarHBondContact O-N 3.04Å; V116-Y118 HydrophobicContact CB-CE2 3.93Å; V116-Y118 HydrophobicContact CG1-CD2 4.49Å; V116-Y118 HydrophobicContact CG1-CE1 3.92Å; V116-Y118 HydrophobicContact CG1-CE2 3.84Å
117	S	98.5	Very high	96.9	Very high	33 Å²	33	54.3 Å²	54.3	23%	0.231	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-97.3	138.9	174.8	-58.7	0	0	0	0	111	P84 V85 I86 P119	P84-S117 PolarHBondContact O-N 2.89Å; V85-S117 WeakPolarHBondContact CA-O 3.47Å; I86-S117 PolarHBondContact N-O 3.36Å; S117-P119 VanDerWaalsContact C-CD 3.41Å; S117-P119 VanDerWaalsContact O-CD 3.31Å; S117-P119 WeakPolarHBondContact O-CD 3.44Å
118	Y	98.8	Very high	96.9	Very high	12 Å²	12	54.6 Å²	54.6	5%	0.047	30%	0.3	C	S	.	.			trans	-120.6	69.2	-179.7	-59	-85.1	0	0	0	110.6	I75 S79 I86 I110 N111 R112 R113 V116	I75-Y118 HydrophobicContact CG2-CD1 3.89Å; I75-Y118 HydrophobicContact CG2-CE1 3.71Å; S79-Y118 WeakPolarHBondContact CB-OH 3.44Å; S79-Y118 WeakPolarHBondContact OG-CE1 3.39Å; S79-Y118 PolarHBondContact OG-OH 3.36Å; I86-Y118 HydrophobicContact CB-CD1 4.26Å; I86-Y118 HydrophobicContact CB-CE1 4.46Å; I86-Y118 HydrophobicContact CD1-CE1 4.09Å; I86-Y118 VanDerWaalsContact O-CA 3.32Å; I86-Y118 WeakPolarHBondContact O-CA 3.29Å; I110-Y118 HydrophobicContact CD1-CD1 3.71Å; I110-Y118 HydrophobicContact CD1-CD2 4.4Å; I110-Y118 HydrophobicContact CD1-CE1 4.19Å; I110-Y118 HydrophobicContact CD1-CG 3.82Å; N111-Y118 PolarHBondContact O-OH 2.89Å; R112-Y118 HydrophobicContact CB-CD2 4.48Å; R112-Y118 HydrophobicContact CB-CE2 3.96Å; R112-Y118 HydrophobicContact CG-CD2 4.11Å; R112-Y118 HydrophobicContact CG-CE2 4Å; R113-Y118 PolarHBondContact N-OH 2.83Å; R113-Y118 VanDerWaalsContact N-OH 3.15Å; V116-Y118 HydrophobicContact CB-CE2 3.93Å; V116-Y118 HydrophobicContact CG1-CD2 4.49Å; V116-Y118 HydrophobicContact CG1-CE1 3.92Å; V116-Y118 HydrophobicContact CG1-CE2 3.84Å
119	P	98.7	Very high	96.9	Very high	1 Å²	1	52 Å²	52	1%	0.006	29%	0.29	C	S	.	.			trans	-63	151.5	-180	25.3	-33.4	0	0	0	111.7	V85 I86 E87 A88 S117 E138	V85-P119 HydrophobicContact CG1-CG 3.62Å; I86-P119 WeakPolarHBondContact O-CD 3.48Å; E87-P119 CarbonylContact C-O 3.57Å; E87-P119 WeakPolarHBondContact CA-O 3.3Å; E87-P119 HydrophobicContact CB-CG 4.32Å; E87-P119 HydrophobicContact CG-CG 4.39Å; A88-P119 PolarHBondContact N-O 3.08Å; S117-P119 VanDerWaalsContact C-CD 3.41Å; S117-P119 VanDerWaalsContact O-CD 3.31Å; S117-P119 WeakPolarHBondContact O-CD 3.44Å; P119-E138 WeakPolarHBondContact CA-O 3.26Å; P119-E138 HydrophobicContact CB-CB 4.24Å; P119-E138 HydrophobicContact CB-CG 3.93Å
120	V	98.8	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.9	175.3	-60.9	0	0	0	0	111.2	A88 T89 F91 M107 T122 A131 A136 E138 V139 A140	A88-V120 HydrophobicContact CB-CG1 4.27Å; T89-V120 HydrophobicContact CG2-CB 4.28Å; T89-V120 HydrophobicContact CG2-CG1 3.66Å; T89-V120 VanDerWaalsContact O-CA 3.24Å; T89-V120 WeakPolarHBondContact O-CA 3.32Å; T89-V120 WeakPolarHBondContact O-CB 3.32Å; F91-V120 HydrophobicContact CD2-CB 3.9Å; F91-V120 HydrophobicContact CD2-CG1 4.48Å; F91-V120 HydrophobicContact CD2-CG2 3.69Å; F91-V120 HydrophobicContact CE2-CB 4.02Å; F91-V120 HydrophobicContact CE2-CG1 4.12Å; F91-V120 HydrophobicContact CE2-CG2 3.8Å; M107-V120 HydrophobicContact CE-CG1 3.65Å; M107-V120 HydrophobicContact CG-CG1 4.03Å; M107-V120 HydrophobicContact SD-CG1 3.43Å; M107-V120 WeakPolarHBondContact SD-CG1 3.4Å; V120-T122 HydrophobicContact CG2-CG2 4.4Å; V120-A131 HydrophobicContact CG2-CB 3.69Å; V120-A136 HydrophobicContact CG2-CB 3.69Å; V120-E138 PolarHBondContact N-O 2.78Å; V120-V139 HydrophobicContact CG2-CG1 4.15Å; V120-V139 CarbonylContact O-C 3.56Å; V120-V139 WeakPolarHBondContact O-CA 3.4Å; V120-A140 PolarHBondContact O-N 3.35Å
121	L	98.1	Very high	96.9	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	134.7	179.5	-164.2	75.1	0	0	0	110.8	T89 S90 F91 A140 F142	T89-L121 PolarHBondContact O-N 3Å; S90-L121 WeakPolarHBondContact OG-CB 3.35Å; S90-L121 WeakPolarHBondContact OG-CD2 3.31Å; F91-L121 PolarHBondContact N-O 3.16Å; L121-A140 CarbonylContact C-O 3.56Å; L121-A140 HydrophobicContact CD1-CB 3.9Å; L121-F142 HydrophobicContact CD1-CD1 3.85Å; L121-F142 HydrophobicContact CD2-CD1 3.91Å; L121-F142 HydrophobicContact CD2-CE1 3.98Å; L121-F142 HydrophobicContact CG-CD1 4.06Å; L121-F142 HydrophobicContact CG-CE1 4.4Å
122	T	96.9	Very high	96.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.272	C	S	.	.			trans	-132.5	94.3	179.1	57.3	0	0	0	0	110.1	F91 V120 N124 F128 A131 V139 A140	F91-T122 HydrophobicContact CB-CG2 4.31Å; V120-T122 HydrophobicContact CG2-CG2 4.4Å; T122-N124 PolarHBondContact O-N 2.99Å; T122-F128 HydrophobicContact CG2-CB 4.3Å; T122-A131 HydrophobicContact CG2-CB 3.7Å; T122-V139 HydrophobicContact CG2-CB 3.87Å; T122-V139 HydrophobicContact CG2-CG1 3.74Å; T122-A140 PolarHBondContact N-O 3.44Å; T122-A140 PolarHBondContact OG1-O 2.93Å
123	P	90.4	Very high	97	Very high	30 Å²	30	52.2 Å²	52.2	20%	0.195	29%	0.29	C	S	.	.	S	Bend	trans	-69.1	-15.3	-174.2	29.3	-38.9	0	0	0	114.4	F91 V92 F142	F91-P123 WeakPolarHBondContact O-CD 3.31Å; V92-P123 HydrophobicContact CB-CG 4.48Å; V92-P123 HydrophobicContact CG1-CB 4.42Å; V92-P123 HydrophobicContact CG1-CG 3.75Å; P123-F142 HydrophobicContact CB-CE1 3.89Å; P123-F142 HydrophobicContact CB-CZ 4.39Å
124	N	92.7	Very high	97	Very high	79 Å²	79	47.9 Å²	47.9	42%	0.422	28%	0.275	S	S	.	.	S	Bend	trans	-161.1	171.8	-175.3	57.7	61	0	0	0	111	T122 K126 G127 F128	T122-N124 PolarHBondContact O-N 2.99Å; N124-K126 VanDerWaalsContact C-N 3.31Å; N124-K126 PolarHBondContact O-N 2.95Å; N124-K126 WeakPolarHBondContact OD1-CB 3.32Å; N124-K126 PolarHBondContact OD1-N 3.08Å; N124-K126 VanDerWaalsContact OD1-N 3.16Å; N124-G127 PolarHBondContact O-N 3.21Å; N124-G127 PolarHBondContact OD1-N 2.91Å; N124-F128 PolarHBondContact O-N 3.48Å
125	L	95.4	Very high	97.1	Very high	52 Å²	52	43.3 Å²	43.3	27%	0.272	25%	0.252	S	S	.	.	H	α-helix	trans	-59.7	-36.1	-177.7	-173.5	63.3	0	0	0	113.6	F128 Q129 A171	L125-F128 HydrophobicContact CD1-CD1 4.12Å; L125-F128 WeakPolarHBondContact O-CB 3.36Å; L125-F128 PolarHBondContact O-N 3.3Å; L125-Q129 VanDerWaalsContact O-CG 3.29Å; L125-Q129 WeakPolarHBondContact O-CG 3.28Å; L125-Q129 PolarHBondContact O-N 3.36Å; L125-A171 HydrophobicContact CD1-CB 3.63Å
126	K	96	Very high	97.2	Very high	171 Å²	171	39.8 Å²	39.8	74%	0.743	22%	0.216	S	C	*	.	H	α-helix	trans	-65.7	-45.1	177.2	-178.9	-177.3	176.4	-176	0	111.2	N124 F128 Q129 A130	N124-K126 VanDerWaalsContact C-N 3.31Å; N124-K126 PolarHBondContact O-N 2.95Å; N124-K126 WeakPolarHBondContact OD1-CB 3.32Å; N124-K126 PolarHBondContact OD1-N 3.08Å; N124-K126 VanDerWaalsContact OD1-N 3.16Å; K126-F128 VanDerWaalsContact C-N 3.35Å; K126-Q129 PolarHBondContact O-N 2.78Å; K126-A130 PolarHBondContact O-N 2.88Å; K126-A130 VanDerWaalsContact O-N 3.1Å
127	G	96.8	Very high	97.2	Very high	6 Å²	6	41.8 Å²	41.8	6%	0.062	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-43.9	174.4	0	0	0	0	0	111.6	F91 N124 A130 A131	F91-G127 WeakPolarHBondContact CB-O 3.46Å; N124-G127 PolarHBondContact O-N 3.21Å; N124-G127 PolarHBondContact OD1-N 2.91Å; G127-A130 PolarHBondContact O-N 3Å; G127-A131 WeakPolarHBondContact O-CB 3.41Å; G127-A131 PolarHBondContact O-N 2.76Å
128	F	98.2	Very high	97.2	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-56.9	-50.8	174.3	169.9	-98.4	0	0	0	112.8	T122 N124 L125 K126 A130 A131 V132 V139 V168 A171 A172 A175 V177	T122-F128 HydrophobicContact CG2-CB 4.3Å; N124-F128 PolarHBondContact O-N 3.48Å; L125-F128 HydrophobicContact CD1-CD1 4.12Å; L125-F128 WeakPolarHBondContact O-CB 3.36Å; L125-F128 PolarHBondContact O-N 3.3Å; K126-F128 VanDerWaalsContact C-N 3.35Å; F128-A130 VanDerWaalsContact C-N 3.27Å; F128-A130 PolarHBondContact O-N 2.75Å; F128-A131 WeakPolarHBondContact O-CB 3.5Å; F128-A131 PolarHBondContact O-N 2.67Å; F128-A131 VanDerWaalsContact O-N 3.11Å; F128-V132 HydrophobicContact CD2-CG2 4.25Å; F128-V132 HydrophobicContact CE1-CG2 3.95Å; F128-V132 HydrophobicContact CE2-CG2 3.66Å; F128-V132 HydrophobicContact CZ-CG2 3.46Å; F128-V132 VanDerWaalsContact CZ-CG2 3.46Å; F128-V132 WeakPolarHBondContact O-CG2 3.48Å; F128-V132 PolarHBondContact O-N 2.88Å; F128-V139 HydrophobicContact CD2-CG1 4.08Å; F128-V139 HydrophobicContact CD2-CG2 4Å; F128-V139 HydrophobicContact CE2-CG1 4.33Å; F128-V139 HydrophobicContact CE2-CG2 4.19Å; F128-V168 HydrophobicContact CB-CG1 4.09Å; F128-V168 HydrophobicContact CD2-CG1 4.16Å; F128-V168 HydrophobicContact CG-CG1 4.19Å; F128-A171 HydrophobicContact CD1-CB 3.98Å; F128-A171 HydrophobicContact CE1-CB 3.62Å; F128-A171 HydrophobicContact CZ-CB 4.39Å; F128-A172 HydrophobicContact CD2-CB 4.48Å; F128-A172 HydrophobicContact CE2-CB 3.65Å; F128-A172 VanDerWaalsContact CZ-CA 3.41Å; F128-A172 HydrophobicContact CZ-CB 3.91Å; F128-A175 HydrophobicContact CZ-CB 4.24Å; F128-V177 HydrophobicContact CE2-CB 4.3Å; F128-V177 HydrophobicContact CE2-CG1 4.12Å
129	Q	98	Very high	97.2	Very high	97 Å²	97	39.8 Å²	39.8	45%	0.453	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-37.7	178.7	-72	170.7	-5.8	0	0	112.3	L125 K126 K133	L125-Q129 VanDerWaalsContact O-CG 3.29Å; L125-Q129 WeakPolarHBondContact O-CG 3.28Å; L125-Q129 PolarHBondContact O-N 3.36Å; K126-Q129 PolarHBondContact O-N 2.78Å; Q129-K133 VanDerWaalsContact O-CG 3.27Å; Q129-K133 WeakPolarHBondContact O-CG 3.43Å; Q129-K133 PolarHBondContact O-N 3.27Å; Q129-K133 VanDerWaalsContact O-N 3.12Å
130	A	98	Very high	97.1	Very high	33 Å²	33	39.8 Å²	39.8	27%	0.273	22%	0.222	S	C	.	.	H	α-helix	trans	-67.6	-40.9	175.2	0	0	0	0	0	112	F91 K126 G127 F128 K133 A134	F91-A130 HydrophobicContact CD1-CB 3.65Å; F91-A130 HydrophobicContact CE1-CB 4.03Å; K126-A130 PolarHBondContact O-N 2.88Å; K126-A130 VanDerWaalsContact O-N 3.1Å; G127-A130 PolarHBondContact O-N 3Å; F128-A130 VanDerWaalsContact C-N 3.27Å; F128-A130 PolarHBondContact O-N 2.75Å; A130-K133 PolarHBondContact O-N 2.95Å; A130-A134 PolarHBondContact O-N 3.07Å
131	A	98.4	Very high	97.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-46.7	175.7	0	0	0	0	0	112	F91 V120 T122 G127 F128 K133 A134 G135 A136 V139	F91-A131 HydrophobicContact CB-CB 4.43Å; F91-A131 HydrophobicContact CD1-CB 4.11Å; F91-A131 HydrophobicContact CD2-CB 3.61Å; F91-A131 HydrophobicContact CE1-CB 4.31Å; F91-A131 HydrophobicContact CE2-CB 3.84Å; F91-A131 HydrophobicContact CG-CB 3.77Å; F91-A131 HydrophobicContact CZ-CB 4.2Å; V120-A131 HydrophobicContact CG2-CB 3.69Å; T122-A131 HydrophobicContact CG2-CB 3.7Å; G127-A131 WeakPolarHBondContact O-CB 3.41Å; G127-A131 PolarHBondContact O-N 2.76Å; F128-A131 WeakPolarHBondContact O-CB 3.5Å; F128-A131 PolarHBondContact O-N 2.67Å; F128-A131 VanDerWaalsContact O-N 3.11Å; A131-K133 PolarHBondContact O-N 2.87Å; A131-A134 CarbonylContact O-C 3.53Å; A131-A134 WeakPolarHBondContact O-CA 3.33Å; A131-A134 WeakPolarHBondContact O-CB 3.49Å; A131-A134 PolarHBondContact O-N 3.01Å; A131-G135 PolarHBondContact O-N 3.3Å; A131-A136 HydrophobicContact CB-CB 3.93Å; A131-A136 VanDerWaalsContact O-CB 3.26Å; A131-A136 WeakPolarHBondContact O-CB 3.34Å; A131-A136 PolarHBondContact O-N 2.82Å; A131-V139 HydrophobicContact CB-CG1 4.27Å
132	V	98.3	Very high	96.9	Very high	53 Å²	53	41.7 Å²	41.7	32%	0.321	23%	0.23	S	C	.	.	H	α-helix	trans	-61.5	-43.5	176.6	174.7	0	0	0	0	111.2	F128 A134 G135 V177	F128-V132 HydrophobicContact CD2-CG2 4.25Å; F128-V132 HydrophobicContact CE1-CG2 3.95Å; F128-V132 HydrophobicContact CE2-CG2 3.66Å; F128-V132 HydrophobicContact CZ-CG2 3.46Å; F128-V132 VanDerWaalsContact CZ-CG2 3.46Å; F128-V132 WeakPolarHBondContact O-CG2 3.48Å; F128-V132 PolarHBondContact O-N 2.88Å; V132-A134 PolarHBondContact O-N 3.05Å; V132-G135 WeakPolarHBondContact O-CA 3.46Å; V132-G135 PolarHBondContact O-N 3.12Å; V132-V177 HydrophobicContact CG2-CG2 4.15Å
133	K	98.1	Very high	96.8	Very high	175 Å²	175	41.9 Å²	41.9	76%	0.761	23%	0.232	S	C	*	.	H	α-helix	trans	-62.4	-27.2	175	-73.3	173.5	-176	-179.7	0	113.2	Q129 A130 A131 G135	Q129-K133 VanDerWaalsContact O-CG 3.27Å; Q129-K133 WeakPolarHBondContact O-CG 3.43Å; Q129-K133 PolarHBondContact O-N 3.27Å; Q129-K133 VanDerWaalsContact O-N 3.12Å; A130-K133 PolarHBondContact O-N 2.95Å; A131-K133 PolarHBondContact O-N 2.87Å; K133-G135 VanDerWaalsContact C-N 3.27Å
134	A	97.9	Very high	97.1	Very high	8 Å²	8	40.7 Å²	40.7	7%	0.066	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.4	173.4	0	0	0	0	0	113.3	F91 M107 R112 A130 A131 V132	F91-A134 HydrophobicContact CE1-CB 4.11Å; F91-A134 HydrophobicContact CZ-CB 3.65Å; M107-A134 HydrophobicContact CB-CB 4.03Å; R112-A134 PolarHBondContact NH2-O 3.46Å; A130-A134 PolarHBondContact O-N 3.07Å; A131-A134 CarbonylContact O-C 3.53Å; A131-A134 WeakPolarHBondContact O-CA 3.33Å; A131-A134 WeakPolarHBondContact O-CB 3.49Å; A131-A134 PolarHBondContact O-N 3.01Å; V132-A134 PolarHBondContact O-N 3.05Å
135	G	97.1	Very high	97.3	Very high	37 Å²	37	36.9 Å²	36.9	38%	0.381	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	21.5	176.5	0	0	0	0	0	114.5	R112 A131 V132 K133 A137	R112-G135 VanDerWaalsContact CZ-O 3.29Å; R112-G135 PolarHBondContact NH1-O 3.15Å; R112-G135 PolarHBondContact NH2-O 2.96Å; R112-G135 VanDerWaalsContact NH2-O 3.08Å; A131-G135 PolarHBondContact O-N 3.3Å; V132-G135 WeakPolarHBondContact O-CA 3.46Å; V132-G135 PolarHBondContact O-N 3.12Å; K133-G135 VanDerWaalsContact C-N 3.27Å; G135-A137 PolarHBondContact O-N 2.94Å
136	A	97.9	Very high	97.4	Very high	6 Å²	6	34.4 Å²	34.4	5%	0.05	19%	0.191	C	C	.	.			trans	-65.5	126.5	171.4	0	0	0	0	0	110.5	M107 V120 A131 V139	M107-A136 HydrophobicContact CE-CB 4.17Å; V120-A136 HydrophobicContact CG2-CB 3.69Å; A131-A136 HydrophobicContact CB-CB 3.93Å; A131-A136 VanDerWaalsContact O-CB 3.26Å; A131-A136 WeakPolarHBondContact O-CB 3.34Å; A131-A136 PolarHBondContact O-N 2.82Å; A136-V139 HydrophobicContact CB-CG1 4.3Å
137	A	97.5	Very high	97.4	Very high	69 Å²	69	29.4 Å²	29.4	57%	0.57	17%	0.171	S	C	*	.	S	Bend	trans	-101.4	-7.9	174.2	0	0	0	0	0	112.3	G135 R178	G135-A137 PolarHBondContact O-N 2.94Å; A137-R178 PolarHBondContact O-N 2.9Å
138	E	98.4	Very high	97.4	Very high	4 Å²	4	33 Å²	33	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	139.4	176.4	-173.2	174.7	157.1	0	0	108.7	P119 V120 R178 Y213	P119-E138 WeakPolarHBondContact CA-O 3.26Å; P119-E138 HydrophobicContact CB-CB 4.24Å; P119-E138 HydrophobicContact CB-CG 3.93Å; V120-E138 PolarHBondContact N-O 2.78Å; E138-R178 WeakPolarHBondContact CA-O 3.5Å; E138-R178 HydrophobicContact CG-CB 4.27Å; E138-R178 IonicContact OE2-CZ 3.12Å; E138-R178 IonicContact OE2-NE 3.55Å; E138-R178 IonicContact OE2-NH2 2.84Å; E138-R178 PolarHBondContact OE2-NH2 2.92Å; E138-Y213 HydrophobicContact CG-CE1 4.32Å; E138-Y213 WeakPolarHBondContact OE1-CE1 3.47Å; E138-Y213 PolarHBondContact OE1-OH 3.26Å
139	V	98.7	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	161.4	178	-60.8	0	0	0	0	110.7	V120 T122 F128 A131 A136 V177 R178 V179 R180	V120-V139 HydrophobicContact CG2-CG1 4.15Å; V120-V139 CarbonylContact O-C 3.56Å; V120-V139 WeakPolarHBondContact O-CA 3.4Å; T122-V139 HydrophobicContact CG2-CB 3.87Å; T122-V139 HydrophobicContact CG2-CG1 3.74Å; F128-V139 HydrophobicContact CD2-CG1 4.08Å; F128-V139 HydrophobicContact CD2-CG2 4Å; F128-V139 HydrophobicContact CE2-CG1 4.33Å; F128-V139 HydrophobicContact CE2-CG2 4.19Å; A131-V139 HydrophobicContact CB-CG1 4.27Å; A136-V139 HydrophobicContact CB-CG1 4.3Å; V139-V177 HydrophobicContact CG1-CG1 4Å; V139-V177 HydrophobicContact CG2-CG1 4.09Å; V139-R178 PolarHBondContact N-O 2.88Å; V139-V179 HydrophobicContact CG2-CB 4.44Å; V139-V179 HydrophobicContact CG2-CG1 4.33Å; V139-V179 HydrophobicContact CG2-CG2 3.9Å; V139-V179 CarbonylContact O-C 3.55Å; V139-V179 WeakPolarHBondContact O-CA 3.48Å; V139-R180 PolarHBondContact O-N 2.98Å
140	A	98.5	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.9	175.7	0	0	0	0	0	112.1	V120 L121 T122 R180 Y182	V120-A140 PolarHBondContact O-N 3.35Å; L121-A140 CarbonylContact C-O 3.56Å; L121-A140 HydrophobicContact CD1-CB 3.9Å; T122-A140 PolarHBondContact N-O 3.44Å; T122-A140 PolarHBondContact OG1-O 2.93Å; A140-R180 CarbonylContact C-O 3.52Å; A140-R180 VanDerWaalsContact CA-O 3.25Å; A140-R180 WeakPolarHBondContact CA-O 3.25Å; A140-R180 HydrophobicContact CB-CB 4.37Å; A140-Y182 HydrophobicContact CB-CD2 4Å; A140-Y182 HydrophobicContact CB-CE2 3.65Å
141	I	97.7	Very high	96.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	155.6	169.2	55.9	169.5	0	0	0	109.4	F165 V168 T169 V179 R180 G181 Y182 L207 M210	I141-F165 HydrophobicContact CB-CD1 3.76Å; I141-F165 HydrophobicContact CB-CD2 4.45Å; I141-F165 HydrophobicContact CB-CE1 3.98Å; I141-F165 HydrophobicContact CB-CG 4.05Å; I141-F165 HydrophobicContact CB-CZ 4.43Å; I141-F165 HydrophobicContact CD1-CB 3.59Å; I141-F165 HydrophobicContact CD1-CD1 4.29Å; I141-F165 HydrophobicContact CD1-CD2 4.16Å; I141-F165 HydrophobicContact CD1-CG 3.77Å; I141-F165 HydrophobicContact CG1-CG 4.46Å; I141-F165 HydrophobicContact CG2-CD1 3.72Å; I141-F165 HydrophobicContact CG2-CE1 4.16Å; I141-F165 HydrophobicContact CG2-CG 4.3Å; I141-V168 HydrophobicContact CG2-CB 4.36Å; I141-V168 HydrophobicContact CG2-CG1 3.88Å; I141-T169 HydrophobicContact CD1-CG2 3.97Å; I141-V179 HydrophobicContact CD1-CG1 4.11Å; I141-V179 HydrophobicContact CG1-CG1 3.81Å; I141-V179 HydrophobicContact CG2-CG1 4.29Å; I141-R180 PolarHBondContact N-O 3.46Å; I141-G181 CarbonylContact O-C 3.31Å; I141-Y182 PolarHBondContact O-N 3.48Å; I141-L207 HydrophobicContact CD1-CD2 3.75Å; I141-L207 HydrophobicContact CG1-CD2 4.39Å; I141-M210 HydrophobicContact CD1-SD 4.14Å
142	F	93.8	Very high	96.4	Very high	48 Å²	48	39.4 Å²	39.4	21%	0.211	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	118.3	-175.9	66.7	-84.9	0	0	0	112.2	L121 P123 I154 F165	L121-F142 HydrophobicContact CD1-CD1 3.85Å; L121-F142 HydrophobicContact CD2-CD1 3.91Å; L121-F142 HydrophobicContact CD2-CE1 3.98Å; L121-F142 HydrophobicContact CG-CD1 4.06Å; L121-F142 HydrophobicContact CG-CE1 4.4Å; P123-F142 HydrophobicContact CB-CE1 3.89Å; P123-F142 HydrophobicContact CB-CZ 4.39Å; F142-I154 HydrophobicContact CE2-CG2 3.78Å; F142-I154 HydrophobicContact CZ-CG2 3.96Å; F142-F165 WeakPolarHBondContact O-CE2 3.28Å; F142-F165 WeakPolarHBondContact O-CZ 3.36Å
143	G	94.2	Very high	95.9	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-178.8	166.7	0	0	0	0	0	111.9	Y182 S184	G143-Y182 PolarHBondContact N-O 2.9Å; G143-S184 PolarHBondContact O-N 3.08Å; G143-S184 PolarHBondContact O-OG 3.49Å
144	A	96.8	Very high	95.3	Very high	5 Å²	5	34.4 Å²	34.4	4%	0.041	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150	173.2	0	0	0	0	0	110.4	F149 V158	A144-F149 HydrophobicContact CB-CD1 3.65Å; A144-F149 HydrophobicContact CB-CE1 4.34Å; A144-V158 WeakPolarHBondContact O-CG1 3.21Å; A144-V158 VanDerWaalsContact O-CG2 3.32Å; A144-V158 WeakPolarHBondContact O-CG2 3.39Å
145	A	97	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-85.2	3.9	172.6	0	0	0	0	0	113.1	V183 S184 V195 K199 V200	A145-V183 HydrophobicContact CB-CG1 4.09Å; A145-S184 PolarHBondContact N-O 2.83Å; A145-V195 HydrophobicContact CB-CG1 3.71Å; A145-K199 WeakPolarHBondContact O-CD 3.49Å; A145-K199 WeakPolarHBondContact O-CE 3.25Å; A145-K199 PolarHBondContact O-NZ 2.9Å; A145-K199 VanDerWaalsContact O-NZ 3.12Å; A145-V200 HydrophobicContact CB-CB 4.42Å; A145-V200 HydrophobicContact CB-CG2 3.71Å
146	S	97.4	Very high	94.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.			trans	-124.6	133.4	-176.5	173.1	0	0	0	0	111.9	F149 S150 C189 E192	S146-F149 PolarHBondContact OG-N 3.3Å; S146-S150 WeakPolarHBondContact O-CB 3.02Å; S146-S150 PolarHBondContact O-N 3.26Å; S146-C189 PolarHBondContact OG-SG 3.01Å; S146-E192 WeakPolarHBondContact CA-OE2 3.34Å; S146-E192 VanDerWaalsContact CB-OE2 3.29Å; S146-E192 WeakPolarHBondContact CB-OE2 3.27Å; S146-E192 PolarHBondContact OG-OE1 3.31Å; S146-E192 PolarHBondContact OG-OE2 3.11Å
147	E	97	Very high	94.6	Very high	66 Å²	66	40.1 Å²	40.1	31%	0.308	21%	0.211	S	C	.	.	H	α-helix	trans	-72.8	-45.6	-178.1	-70.6	-62.2	162.9	0	0	111.3	F149 S150 K151 S157 V158 E192	E147-F149 VanDerWaalsContact C-N 3.26Å; E147-F149 PolarHBondContact O-N 3.1Å; E147-S150 PolarHBondContact O-N 3.43Å; E147-K151 VanDerWaalsContact O-CB 3.29Å; E147-K151 WeakPolarHBondContact O-CB 3.44Å; E147-K151 PolarHBondContact O-N 3.39Å; E147-S157 WeakPolarHBondContact OE2-CA 3.2Å; E147-S157 WeakPolarHBondContact OE2-CB 3.43Å; E147-V158 PolarHBondContact OE2-N 3.27Å; E147-E192 PolarHBondContact N-OE1 3.01Å; E147-E192 PolarHBondContact N-OE2 2.89Å
148	L	95.8	Very high	94.6	Very high	80 Å²	80	37.1 Å²	37.1	42%	0.419	19%	0.185	S	C	.	.	H	α-helix	trans	-63.6	-35.1	176.5	-67.4	-174.6	0	0	0	111.7	K152 Y191 E192	L148-K152 VanDerWaalsContact O-CB 3.32Å; L148-K152 WeakPolarHBondContact O-CB 3.1Å; L148-K152 WeakPolarHBondContact O-CG 2.98Å; L148-K152 PolarHBondContact O-N 2.79Å; L148-Y191 HydrophobicContact CB-CD2 4.36Å; L148-Y191 HydrophobicContact CB-CG 4.44Å; L148-E192 HydrophobicContact CB-CG 3.93Å; L148-E192 HydrophobicContact CD1-CG 3.7Å; L148-E192 HydrophobicContact CG-CG 3.8Å; L148-E192 WeakPolarHBondContact CG-OE1 3.33Å; L148-E192 PolarHBondContact N-OE1 3.02Å
149	F	95.1	Very high	94.5	Very high	10 Å²	10	41.1 Å²	41.1	4%	0.044	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-49.9	174.8	-168.5	-90	0	0	0	111.3	A144 S146 E147 K151 K152 N153 C185 P190 Y191 T220 Y283	A144-F149 HydrophobicContact CB-CD1 3.65Å; A144-F149 HydrophobicContact CB-CE1 4.34Å; S146-F149 PolarHBondContact OG-N 3.3Å; E147-F149 VanDerWaalsContact C-N 3.26Å; E147-F149 PolarHBondContact O-N 3.1Å; F149-K151 VanDerWaalsContact C-N 3.34Å; F149-K151 PolarHBondContact O-N 3.39Å; F149-K152 PolarHBondContact O-N 3.2Å; F149-N153 WeakPolarHBondContact CE1-ND2 3.32Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.35Å; F149-N153 WeakPolarHBondContact O-CB 3.15Å; F149-N153 PolarHBondContact O-N 2.84Å; F149-N153 PolarHBondContact O-OD1 2.8Å; F149-C185 WeakPolarHBondContact CD2-SG 3.24Å; F149-C185 WeakPolarHBondContact CG-SG 3.42Å; F149-P190 HydrophobicContact CD2-CG 4.11Å; F149-P190 HydrophobicContact CE2-CG 4.32Å; F149-Y191 HydrophobicContact CB-CD2 4.23Å; F149-Y191 HydrophobicContact CB-CE2 4.44Å; F149-Y191 HydrophobicContact CD2-CD2 4.19Å; F149-Y191 AromaticContact CD2-CE2 3.84Å; F149-Y191 HydrophobicContact CD2-CE2 3.84Å; F149-Y191 HydrophobicContact CG-CE2 4.49Å; F149-T220 HydrophobicContact CZ-CG2 4.14Å; F149-Y283 AromaticContact CE2-CE2 3.77Å; F149-Y283 HydrophobicContact CE2-CE2 3.77Å; F149-Y283 AromaticContact CE2-CZ 3.79Å; F149-Y283 VanDerWaalsContact CE2-OH 3.29Å; F149-Y283 WeakPolarHBondContact CE2-OH 3.42Å; F149-Y283 HydrophobicContact CZ-CE2 4.46Å
150	S	94.4	Very high	94.3	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-56.2	-48.2	175.5	-176.2	0	0	0	0	111.4	S146 E147 K152 N153 I154 N155 C156 S157	S146-S150 WeakPolarHBondContact O-CB 3.02Å; S146-S150 PolarHBondContact O-N 3.26Å; E147-S150 PolarHBondContact O-N 3.43Å; S150-K152 VanDerWaalsContact C-N 3.34Å; S150-K152 PolarHBondContact O-N 2.93Å; S150-N153 PolarHBondContact O-N 2.94Å; S150-I154 WeakPolarHBondContact O-CG1 3.42Å; S150-I154 PolarHBondContact O-N 3.48Å; S150-N155 PolarHBondContact O-N 2.89Å; S150-C156 CarbonylContact C-O 3.46Å; S150-C156 VanDerWaalsContact C-O 3.31Å; S150-C156 WeakPolarHBondContact CB-O 3.33Å; S150-C156 PolarHBondContact OG-O 3.16Å; S150-S157 PolarHBondContact OG-O 3.12Å
151	K	93.1	Very high	94.1	Very high	134 Å²	134	45.6 Å²	45.6	58%	0.583	23%	0.228	S	C	*	.	H	α-helix	trans	-63.1	-37.6	179.9	-169.8	170.9	-175.2	172.6	0	112.7	E147 F149 N155 C156	E147-K151 VanDerWaalsContact O-CB 3.29Å; E147-K151 WeakPolarHBondContact O-CB 3.44Å; E147-K151 PolarHBondContact O-N 3.39Å; F149-K151 VanDerWaalsContact C-N 3.34Å; F149-K151 PolarHBondContact O-N 3.39Å; K151-N155 WeakPolarHBondContact O-CA 3.41Å; K151-N155 PolarHBondContact O-N 3.19Å; K151-N155 VanDerWaalsContact O-N 3.12Å; K151-C156 WeakPolarHBondContact CA-O 3.2Å; K151-C156 PolarHBondContact N-O 3.31Å
152	K	90.3	Very high	94	Very high	127 Å²	127	45.8 Å²	45.8	55%	0.552	23%	0.229	S	C	*	.	H	α-helix	trans	-76.8	-32	178.3	-76.6	-178.3	175.5	-174.7	0	113.3	L148 F149 S150 Y191	L148-K152 VanDerWaalsContact O-CB 3.32Å; L148-K152 WeakPolarHBondContact O-CB 3.1Å; L148-K152 WeakPolarHBondContact O-CG 2.98Å; L148-K152 PolarHBondContact O-N 2.79Å; F149-K152 PolarHBondContact O-N 3.2Å; S150-K152 VanDerWaalsContact C-N 3.34Å; S150-K152 PolarHBondContact O-N 2.93Å; K152-Y191 HydrophobicContact CB-CE2 4.1Å; K152-Y191 HydrophobicContact CD-CD1 3.96Å; K152-Y191 HydrophobicContact CD-CD2 3.86Å; K152-Y191 HydrophobicContact CD-CE1 3.59Å; K152-Y191 HydrophobicContact CD-CE2 3.5Å; K152-Y191 VanDerWaalsContact CD-CE2 3.5Å; K152-Y191 HydrophobicContact CD-CG 4.05Å; K152-Y191 HydrophobicContact CG-CE2 4.37Å
153	N	86.3	Confident	94	Very high	77 Å²	77	48.7 Å²	48.7	41%	0.412	24%	0.243	S	C	.	.	H	α-helix	trans	-89.8	-37.1	-175.2	-73	30.5	0	0	0	112.9	F149 S150 Y283	F149-N153 WeakPolarHBondContact CE1-ND2 3.32Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.35Å; F149-N153 WeakPolarHBondContact O-CB 3.15Å; F149-N153 PolarHBondContact O-N 2.84Å; F149-N153 PolarHBondContact O-OD1 2.8Å; S150-N153 PolarHBondContact O-N 2.94Å; N153-Y283 PolarHBondContact OD1-OH 2.67Å
154	I	86.3	Confident	93.9	Very high	47 Å²	47	54.8 Å²	54.8	24%	0.241	27%	0.265	C	S	.	.	H	α-helix	trans	-133	7.4	-173.9	58.8	171	0	0	0	114	F142 S150 C156 S161	F142-I154 HydrophobicContact CE2-CG2 3.78Å; F142-I154 HydrophobicContact CZ-CG2 3.96Å; S150-I154 WeakPolarHBondContact O-CG1 3.42Å; S150-I154 PolarHBondContact O-N 3.48Å; I154-C156 VanDerWaalsContact C-N 3.29Å; I154-C156 VanDerWaalsContact CD1-SG 3.59Å; I154-C156 PolarHBondContact O-N 2.92Å; I154-S161 VanDerWaalsContact CD1-CB 3.4Å
155	N	89.4	Confident	93.8	Very high	131 Å²	131	54.8 Å²	54.8	70%	0.701	26%	0.264	S	S	*	.	S	Bend	trans	54.8	38.7	173.3	-163.7	47	0	0	0	114.5	S150 K151	S150-N155 PolarHBondContact O-N 2.89Å; K151-N155 WeakPolarHBondContact O-CA 3.41Å; K151-N155 PolarHBondContact O-N 3.19Å; K151-N155 VanDerWaalsContact O-N 3.12Å
156	C	92.3	Very high	93.8	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.034	28%	0.283	C	S	.	.	S	Bend	trans	-150.2	165.8	172.7	69	0	0	0	0	110.7	S150 K151 I154 E160	S150-C156 CarbonylContact C-O 3.46Å; S150-C156 VanDerWaalsContact C-O 3.31Å; S150-C156 WeakPolarHBondContact CB-O 3.33Å; S150-C156 PolarHBondContact OG-O 3.16Å; K151-C156 WeakPolarHBondContact CA-O 3.2Å; K151-C156 PolarHBondContact N-O 3.31Å; I154-C156 VanDerWaalsContact C-N 3.29Å; I154-C156 VanDerWaalsContact CD1-SG 3.59Å; I154-C156 PolarHBondContact O-N 2.92Å; C156-E160 VanDerWaalsContact CA-OE2 3.29Å; C156-E160 WeakPolarHBondContact CA-OE2 3.39Å; C156-E160 HydrophobicContact CB-CB 3.81Å; C156-E160 WeakPolarHBondContact CB-OE2 3.41Å
157	S	97.1	Very high	93.7	Very high	35 Å²	35	64.7 Å²	64.7	25%	0.245	31%	0.31	C	S	.	.			trans	-66.8	166.9	171.3	72.3	0	0	0	0	111.6	E147 S150 D159 E160 S161	E147-S157 WeakPolarHBondContact OE2-CA 3.2Å; E147-S157 WeakPolarHBondContact OE2-CB 3.43Å; S150-S157 PolarHBondContact OG-O 3.12Å; S157-D159 VanDerWaalsContact C-N 3.3Å; S157-D159 PolarHBondContact O-N 3.33Å; S157-E160 PolarHBondContact N-OE2 2.73Å; S157-E160 PolarHBondContact O-N 3.35Å; S157-E160 WeakPolarHBondContact OG-CB 3.43Å; S157-E160 VanDerWaalsContact OG-CG 3.23Å; S157-E160 WeakPolarHBondContact OG-CG 3.29Å; S157-E160 PolarHBondContact OG-N 2.97Å; S157-S161 PolarHBondContact O-N 3.41Å
158	V	96	Very high	93.6	Very high	5 Å²	5	61.5 Å²	61.5	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-45.6	172.9	174.8	0	0	0	0	110.2	A144 E147 E160 S161 L162 V203	A144-V158 WeakPolarHBondContact O-CG1 3.21Å; A144-V158 VanDerWaalsContact O-CG2 3.32Å; A144-V158 WeakPolarHBondContact O-CG2 3.39Å; E147-V158 PolarHBondContact OE2-N 3.27Å; V158-E160 PolarHBondContact O-N 3.23Å; V158-S161 WeakPolarHBondContact O-CB 3.29Å; V158-S161 PolarHBondContact O-N 3.02Å; V158-S161 VanDerWaalsContact O-N 3.17Å; V158-S161 PolarHBondContact O-OG 2.94Å; V158-L162 HydrophobicContact CG1-CD1 4.01Å; V158-L162 HydrophobicContact CG1-CG 4.48Å; V158-L162 WeakPolarHBondContact O-CG 3.45Å; V158-L162 PolarHBondContact O-N 3.37Å; V158-V203 HydrophobicContact CG1-CG2 3.82Å
159	D	96.4	Very high	93.7	Very high	88 Å²	88	58.2 Å²	58.2	47%	0.471	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-43	179.7	-82.1	-29.9	0	0	0	113.4	S157 S161 L162 Q163 R206	S157-D159 VanDerWaalsContact C-N 3.3Å; S157-D159 PolarHBondContact O-N 3.33Å; D159-S161 VanDerWaalsContact C-N 3.28Å; D159-S161 PolarHBondContact O-N 2.84Å; D159-L162 PolarHBondContact O-N 3.16Å; D159-Q163 WeakPolarHBondContact O-CG 3.36Å; D159-Q163 PolarHBondContact O-N 3Å; D159-R206 IonicContact OD1-NH1 3.96Å; D159-R206 PolarHBondContact OD1-NH1 2.63Å
160	E	95	Very high	93.8	Very high	93 Å²	93	64.1 Å²	64.1	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-37.2	175.6	-72.9	170.2	159.8	0	0	111.2	C156 S157 V158 Q163 R164	C156-E160 VanDerWaalsContact CA-OE2 3.29Å; C156-E160 WeakPolarHBondContact CA-OE2 3.39Å; C156-E160 HydrophobicContact CB-CB 3.81Å; C156-E160 WeakPolarHBondContact CB-OE2 3.41Å; S157-E160 PolarHBondContact N-OE2 2.73Å; S157-E160 PolarHBondContact O-N 3.35Å; S157-E160 WeakPolarHBondContact OG-CB 3.43Å; S157-E160 VanDerWaalsContact OG-CG 3.23Å; S157-E160 WeakPolarHBondContact OG-CG 3.29Å; S157-E160 PolarHBondContact OG-N 2.97Å; V158-E160 PolarHBondContact O-N 3.23Å; E160-Q163 PolarHBondContact O-N 2.85Å; E160-R164 WeakPolarHBondContact O-CG 3.25Å; E160-R164 PolarHBondContact O-N 3.22Å; E160-R164 VanDerWaalsContact O-N 3.14Å
161	S	94.5	Very high	94	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.014	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-43.4	176.2	79.7	0	0	0	0	111.8	I154 S157 V158 D159 Q163 R164 F165	I154-S161 VanDerWaalsContact CD1-CB 3.4Å; S157-S161 PolarHBondContact O-N 3.41Å; V158-S161 WeakPolarHBondContact O-CB 3.29Å; V158-S161 PolarHBondContact O-N 3.02Å; V158-S161 VanDerWaalsContact O-N 3.17Å; V158-S161 PolarHBondContact O-OG 2.94Å; D159-S161 VanDerWaalsContact C-N 3.28Å; D159-S161 PolarHBondContact O-N 2.84Å; S161-Q163 PolarHBondContact O-N 3.38Å; S161-R164 WeakPolarHBondContact O-CB 3.31Å; S161-R164 PolarHBondContact O-N 3.32Å; S161-F165 WeakPolarHBondContact O-CD2 3.4Å; S161-F165 WeakPolarHBondContact O-CG 3.25Å; S161-F165 PolarHBondContact O-N 3.24Å; S161-F165 VanDerWaalsContact O-N 3.14Å
162	L	95.3	Very high	94.2	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-39.2	178.8	-68.4	171.5	0	0	0	111.4	V158 D159 R164 F165 E166 V203 R206 L207 M210	V158-L162 HydrophobicContact CG1-CD1 4.01Å; V158-L162 HydrophobicContact CG1-CG 4.48Å; V158-L162 WeakPolarHBondContact O-CG 3.45Å; V158-L162 PolarHBondContact O-N 3.37Å; D159-L162 PolarHBondContact O-N 3.16Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-R164 PolarHBondContact O-N 2.8Å; L162-F165 HydrophobicContact CD2-CD2 4.43Å; L162-F165 PolarHBondContact O-N 2.95Å; L162-F165 VanDerWaalsContact O-N 3.13Å; L162-E166 PolarHBondContact O-N 3.31Å; L162-V203 HydrophobicContact CD1-CG1 4.44Å; L162-V203 HydrophobicContact CD2-CG1 4.38Å; L162-R206 HydrophobicContact CD1-CB 4.29Å; L162-R206 HydrophobicContact CD1-CG 4.12Å; L162-L207 HydrophobicContact CD2-CD2 3.66Å; L162-L207 HydrophobicContact CD2-CG 3.91Å; L162-M210 HydrophobicContact CB-CE 4.2Å; L162-M210 HydrophobicContact CD2-CE 3.97Å
163	Q	94	Very high	94.6	Very high	109 Å²	109	61 Å²	61	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-41.9	173.4	-73.7	172.7	-5.7	0	0	112.1	D159 E160 S161 F165 E166	D159-Q163 WeakPolarHBondContact O-CG 3.36Å; D159-Q163 PolarHBondContact O-N 3Å; E160-Q163 PolarHBondContact O-N 2.85Å; S161-Q163 PolarHBondContact O-N 3.38Å; Q163-F165 PolarHBondContact O-N 2.99Å; Q163-E166 WeakPolarHBondContact O-CB 3.44Å; Q163-E166 PolarHBondContact O-N 3.27Å
164	R	92.6	Very high	95.1	Very high	131 Å²	131	64.3 Å²	64.3	49%	0.494	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-32.5	175.6	-68.9	170.1	-176	177.2	4.3	112.2	E160 S161 L162	E160-R164 WeakPolarHBondContact O-CG 3.25Å; E160-R164 PolarHBondContact O-N 3.22Å; E160-R164 VanDerWaalsContact O-N 3.14Å; S161-R164 WeakPolarHBondContact O-CB 3.31Å; S161-R164 PolarHBondContact O-N 3.32Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-R164 PolarHBondContact O-N 2.8Å
165	F	95.3	Very high	95.7	Very high	5 Å²	5	64.7 Å²	64.7	2%	0.022	32%	0.317	C	S	.	.	H	α-helix	trans	-74.7	-25.4	178.1	-64.3	-39.8	0	0	0	113.7	I141 F142 S161 L162 Q163 E167 V168 T169 M210	I141-F165 HydrophobicContact CB-CD1 3.76Å; I141-F165 HydrophobicContact CB-CD2 4.45Å; I141-F165 HydrophobicContact CB-CE1 3.98Å; I141-F165 HydrophobicContact CB-CG 4.05Å; I141-F165 HydrophobicContact CB-CZ 4.43Å; I141-F165 HydrophobicContact CD1-CB 3.59Å; I141-F165 HydrophobicContact CD1-CD1 4.29Å; I141-F165 HydrophobicContact CD1-CD2 4.16Å; I141-F165 HydrophobicContact CD1-CG 3.77Å; I141-F165 HydrophobicContact CG1-CG 4.46Å; I141-F165 HydrophobicContact CG2-CD1 3.72Å; I141-F165 HydrophobicContact CG2-CE1 4.16Å; I141-F165 HydrophobicContact CG2-CG 4.3Å; F142-F165 WeakPolarHBondContact O-CE2 3.28Å; F142-F165 WeakPolarHBondContact O-CZ 3.36Å; S161-F165 WeakPolarHBondContact O-CD2 3.4Å; S161-F165 WeakPolarHBondContact O-CG 3.25Å; S161-F165 PolarHBondContact O-N 3.24Å; S161-F165 VanDerWaalsContact O-N 3.14Å; L162-F165 HydrophobicContact CD2-CD2 4.43Å; L162-F165 PolarHBondContact O-N 2.95Å; L162-F165 VanDerWaalsContact O-N 3.13Å; Q163-F165 PolarHBondContact O-N 2.99Å; F165-E167 PolarHBondContact O-N 2.8Å; F165-V168 WeakPolarHBondContact O-CA 3.41Å; F165-V168 WeakPolarHBondContact O-CB 3.36Å; F165-V168 PolarHBondContact O-N 2.8Å; F165-T169 WeakPolarHBondContact O-CG2 3.41Å; F165-T169 PolarHBondContact O-N 2.77Å; F165-T169 PolarHBondContact O-OG1 3.46Å; F165-M210 HydrophobicContact CB-SD 4.03Å
166	E	95.5	Very high	96.1	Very high	86 Å²	86	61.8 Å²	61.8	40%	0.402	32%	0.318	S	S	.	.	H	α-helix	trans	-58.1	-35.3	173.9	-68.2	170.6	-158.7	0	0	111.6	L162 Q163 T169 K170 R206 M210	L162-E166 PolarHBondContact O-N 3.31Å; Q163-E166 WeakPolarHBondContact O-CB 3.44Å; Q163-E166 PolarHBondContact O-N 3.27Å; E166-T169 PolarHBondContact O-OG1 3.05Å; E166-K170 WeakPolarHBondContact O-CB 3.46Å; E166-K170 PolarHBondContact O-N 2.79Å; E166-R206 IonicContact OE1-CZ 3.09Å; E166-R206 IonicContact OE1-NE 3.87Å; E166-R206 IonicContact OE1-NH2 2.76Å; E166-R206 PolarHBondContact OE1-NH2 3.49Å; E166-R206 VanDerWaalsContact OE1-NH2 3.12Å; E166-M210 HydrophobicContact CG-CE 4.32Å
167	E	95.1	Very high	96.4	Very high	122 Å²	122	62.2 Å²	62.2	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-65.1	-41	173.6	-62.7	-176.8	178.6	0	0	112.2	F165 A171	F165-E167 PolarHBondContact O-N 2.8Å; E167-A171 WeakPolarHBondContact O-CB 3.44Å; E167-A171 PolarHBondContact O-N 3.06Å
168	V	96.8	Very high	96.4	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-68.5	-46.8	178.9	177.9	0	0	0	0	110.5	F128 I141 F165 K170 A171 A172	F128-V168 HydrophobicContact CB-CG1 4.09Å; F128-V168 HydrophobicContact CD2-CG1 4.16Å; F128-V168 HydrophobicContact CG-CG1 4.19Å; I141-V168 HydrophobicContact CG2-CB 4.36Å; I141-V168 HydrophobicContact CG2-CG1 3.88Å; F165-V168 WeakPolarHBondContact O-CA 3.41Å; F165-V168 WeakPolarHBondContact O-CB 3.36Å; F165-V168 PolarHBondContact O-N 2.8Å; V168-K170 VanDerWaalsContact C-N 3.34Å; V168-K170 PolarHBondContact O-N 3.41Å; V168-A171 PolarHBondContact O-N 2.89Å; V168-A172 VanDerWaalsContact O-CB 3.27Å; V168-A172 WeakPolarHBondContact O-CB 3.23Å; V168-A172 PolarHBondContact O-N 2.9Å
169	T	97.5	Very high	96.6	Very high	10 Å²	10	66 Å²	66	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-67.1	-36.2	-179.4	63.2	0	0	0	0	112	I141 F165 E166 A172 K173 V179 M210	I141-T169 HydrophobicContact CD1-CG2 3.97Å; F165-T169 WeakPolarHBondContact O-CG2 3.41Å; F165-T169 PolarHBondContact O-N 2.77Å; F165-T169 PolarHBondContact O-OG1 3.46Å; E166-T169 PolarHBondContact O-OG1 3.05Å; T169-A172 PolarHBondContact O-N 3.49Å; T169-K173 WeakPolarHBondContact O-CB 3.39Å; T169-K173 PolarHBondContact O-N 3.45Å; T169-V179 HydrophobicContact CG2-CB 4.48Å; T169-V179 HydrophobicContact CG2-CG1 4.2Å; T169-V179 HydrophobicContact CG2-CG2 4.4Å; T169-M210 VanDerWaalsContact CB-O 3.3Å; T169-M210 WeakPolarHBondContact CB-O 3.39Å; T169-M210 HydrophobicContact CG2-CG 3.98Å; T169-M210 HydrophobicContact CG2-SD 3.95Å; T169-M210 PolarHBondContact OG1-O 2.96Å
170	K	97.6	Very high	96.7	Very high	134 Å²	134	61.9 Å²	61.9	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-61.1	-51.4	172.1	-177	-178.7	174.9	-174.1	0	111.6	E166 V168 A172 K173 E174	E166-K170 WeakPolarHBondContact O-CB 3.46Å; E166-K170 PolarHBondContact O-N 2.79Å; V168-K170 VanDerWaalsContact C-N 3.34Å; V168-K170 PolarHBondContact O-N 3.41Å; K170-A172 VanDerWaalsContact C-N 3.31Å; K170-A172 PolarHBondContact O-N 3.34Å; K170-K173 WeakPolarHBondContact O-CB 3.46Å; K170-K173 PolarHBondContact O-N 2.87Å; K170-E174 WeakPolarHBondContact CE-OE1 3.36Å; K170-E174 WeakPolarHBondContact O-CG 3.42Å; K170-E174 PolarHBondContact O-N 3.1Å
171	A	97.9	Very high	96.8	Very high	19 Å²	19	57.4 Å²	57.4	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-37.4	179	0	0	0	0	0	112.2	L125 F128 E167 V168 E174 A175	L125-A171 HydrophobicContact CD1-CB 3.63Å; F128-A171 HydrophobicContact CD1-CB 3.98Å; F128-A171 HydrophobicContact CE1-CB 3.62Å; F128-A171 HydrophobicContact CZ-CB 4.39Å; E167-A171 WeakPolarHBondContact O-CB 3.44Å; E167-A171 PolarHBondContact O-N 3.06Å; V168-A171 PolarHBondContact O-N 2.89Å; A171-E174 PolarHBondContact O-N 3.41Å; A171-A175 WeakPolarHBondContact O-CB 3.49Å; A171-A175 PolarHBondContact O-N 3.22Å
172	A	98.3	Very high	97	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-44.7	174.8	0	0	0	0	0	112	F128 V168 T169 K170 E174 A175 G176 V177 V179	F128-A172 HydrophobicContact CD2-CB 4.48Å; F128-A172 HydrophobicContact CE2-CB 3.65Å; F128-A172 VanDerWaalsContact CZ-CA 3.41Å; F128-A172 HydrophobicContact CZ-CB 3.91Å; V168-A172 VanDerWaalsContact O-CB 3.27Å; V168-A172 WeakPolarHBondContact O-CB 3.23Å; V168-A172 PolarHBondContact O-N 2.9Å; T169-A172 PolarHBondContact O-N 3.49Å; K170-A172 VanDerWaalsContact C-N 3.31Å; K170-A172 PolarHBondContact O-N 3.34Å; A172-E174 PolarHBondContact O-N 3.38Å; A172-A175 CarbonylContact O-C 3.52Å; A172-A175 PolarHBondContact O-N 3.39Å; A172-A175 VanDerWaalsContact O-N 3.17Å; A172-G176 PolarHBondContact O-N 2.94Å; A172-V177 CarbonylContact C-O 3.49Å; A172-V177 HydrophobicContact CB-CB 4.28Å; A172-V177 WeakPolarHBondContact CB-O 3.33Å; A172-V177 PolarHBondContact O-N 2.74Å; A172-V179 HydrophobicContact CB-CG2 3.32Å
173	K	97.6	Very high	97.2	Very high	180 Å²	180	58 Å²	58	78%	0.783	29%	0.288	S	S	*	.	H	α-helix	trans	-60.3	-44.8	175.2	-174.2	178.6	-178.4	178	0	112	T169 K170 A175 G176	T169-K173 WeakPolarHBondContact O-CB 3.39Å; T169-K173 PolarHBondContact O-N 3.45Å; K170-K173 WeakPolarHBondContact O-CB 3.46Å; K170-K173 PolarHBondContact O-N 2.87Å; K173-A175 VanDerWaalsContact C-N 3.25Å; K173-A175 PolarHBondContact O-N 3.18Å; K173-G176 PolarHBondContact O-N 3.31Å
174	E	97.6	Very high	97.4	Very high	145 Å²	145	53.8 Å²	53.8	68%	0.678	27%	0.271	S	S	*	.	H	α-helix	trans	-62.3	-33.1	176.6	-71.2	170.8	-173.4	0	0	112.2	K170 A171 A172	K170-E174 WeakPolarHBondContact CE-OE1 3.36Å; K170-E174 WeakPolarHBondContact O-CG 3.42Å; K170-E174 PolarHBondContact O-N 3.1Å; A171-E174 PolarHBondContact O-N 3.41Å; A172-E174 PolarHBondContact O-N 3.38Å
175	A	97.8	Very high	97.6	Very high	56 Å²	56	47.5 Å²	47.5	46%	0.463	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.1	177.8	0	0	0	0	0	114.5	F128 A171 A172 K173 V177	F128-A175 HydrophobicContact CZ-CB 4.24Å; A171-A175 WeakPolarHBondContact O-CB 3.49Å; A171-A175 PolarHBondContact O-N 3.22Å; A172-A175 CarbonylContact O-C 3.52Å; A172-A175 PolarHBondContact O-N 3.39Å; A172-A175 VanDerWaalsContact O-N 3.17Å; K173-A175 VanDerWaalsContact C-N 3.25Å; K173-A175 PolarHBondContact O-N 3.18Å; A175-V177 VanDerWaalsContact C-N 3.26Å; A175-V177 HydrophobicContact CB-CG2 4.02Å; A175-V177 PolarHBondContact O-N 3.22Å
176	G	97.6	Very high	97.7	Very high	69 Å²	69	47.4 Å²	47.4	71%	0.711	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	23.8	-174.6	0	0	0	0	0	114.2	A172 K173	A172-G176 PolarHBondContact O-N 2.94Å; K173-G176 PolarHBondContact O-N 3.31Å
177	V	98.5	Very high	97.9	Very high	15 Å²	15	44.6 Å²	44.6	9%	0.091	24%	0.235	C	C	.	.			trans	-97.8	130.8	-179.5	174.4	0	0	0	0	109.6	F128 V132 V139 A172 A175	F128-V177 HydrophobicContact CE2-CB 4.3Å; F128-V177 HydrophobicContact CE2-CG1 4.12Å; V132-V177 HydrophobicContact CG2-CG2 4.15Å; V139-V177 HydrophobicContact CG1-CG1 4Å; V139-V177 HydrophobicContact CG2-CG1 4.09Å; A172-V177 CarbonylContact C-O 3.49Å; A172-V177 HydrophobicContact CB-CB 4.28Å; A172-V177 WeakPolarHBondContact CB-O 3.33Å; A172-V177 PolarHBondContact O-N 2.74Å; A175-V177 VanDerWaalsContact C-N 3.26Å; A175-V177 HydrophobicContact CB-CG2 4.02Å; A175-V177 PolarHBondContact O-N 3.22Å
178	R	98.2	Very high	97.9	Very high	114 Å²	114	39 Å²	39	43%	0.43	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	147	177.1	-60.7	-171.4	-58	159.6	-0.5	111	A137 E138 V139 Y213	A137-R178 PolarHBondContact O-N 2.9Å; E138-R178 WeakPolarHBondContact CA-O 3.5Å; E138-R178 HydrophobicContact CG-CB 4.27Å; E138-R178 IonicContact OE2-CZ 3.12Å; E138-R178 IonicContact OE2-NE 3.55Å; E138-R178 IonicContact OE2-NH2 2.84Å; E138-R178 PolarHBondContact OE2-NH2 2.92Å; V139-R178 PolarHBondContact N-O 2.88Å; R178-Y213 HydrophobicContact CB-CD1 3.91Å; R178-Y213 HydrophobicContact CB-CE1 4.12Å
179	V	98.8	Very high	97.9	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.7	177.9	-171.3	0	0	0	0	110.7	V139 I141 T169 A172 C212 Y213	V139-V179 HydrophobicContact CG2-CB 4.44Å; V139-V179 HydrophobicContact CG2-CG1 4.33Å; V139-V179 HydrophobicContact CG2-CG2 3.9Å; V139-V179 CarbonylContact O-C 3.55Å; V139-V179 WeakPolarHBondContact O-CA 3.48Å; I141-V179 HydrophobicContact CD1-CG1 4.11Å; I141-V179 HydrophobicContact CG1-CG1 3.81Å; I141-V179 HydrophobicContact CG2-CG1 4.29Å; T169-V179 HydrophobicContact CG2-CB 4.48Å; T169-V179 HydrophobicContact CG2-CG1 4.2Å; T169-V179 HydrophobicContact CG2-CG2 4.4Å; A172-V179 HydrophobicContact CB-CG2 3.32Å; V179-C212 CarbonylContact O-C 3.59Å; V179-C212 WeakPolarHBondContact O-CA 3.48Å; V179-Y213 WeakPolarHBondContact O-CD1 3.38Å; V179-Y213 PolarHBondContact O-N 2.77Å
180	R	98.8	Very high	97.7	Very high	1 Å²	1	41 Å²	41	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137.4	168.3	-166.1	178.4	-165.4	-131.7	-0.6	109.7	V139 A140 I141 Y182 Y213 E214 A246 D272	V139-R180 PolarHBondContact O-N 2.98Å; A140-R180 CarbonylContact C-O 3.52Å; A140-R180 VanDerWaalsContact CA-O 3.25Å; A140-R180 WeakPolarHBondContact CA-O 3.25Å; A140-R180 HydrophobicContact CB-CB 4.37Å; I141-R180 PolarHBondContact N-O 3.46Å; R180-Y182 VanDerWaalsContact NH1-CZ 3.3Å; R180-Y182 PolarHBondContact NH1-OH 3.05Å; R180-Y213 HydrophobicContact CB-CE1 4.16Å; R180-E214 HydrophobicContact CG-CB 4.42Å; R180-E214 IonicContact CZ-OE1 3.67Å; R180-E214 IonicContact NE-OE1 2.88Å; R180-E214 PolarHBondContact NE-OE1 3.13Å; R180-E214 IonicContact NH2-OE1 3.46Å; R180-E214 PolarHBondContact NH2-OE1 2.92Å; R180-A246 VanDerWaalsContact NH2-CB 3.32Å; R180-D272 IonicContact CZ-OD1 3.81Å; R180-D272 VanDerWaalsContact CZ-OD1 3.29Å; R180-D272 IonicContact CZ-OD2 2.61Å; R180-D272 VanDerWaalsContact NH1-CG 3.29Å; R180-D272 IonicContact NH1-OD1 3.17Å; R180-D272 PolarHBondContact NH1-OD1 2.73Å; R180-D272 IonicContact NH1-OD2 3.29Å; R180-D272 PolarHBondContact NH1-OD2 3.19Å; R180-D272 IonicContact NH2-OD1 2.75Å; R180-D272 PolarHBondContact NH2-OD1 3.37Å; R180-D272 IonicContact NH2-OD2 3Å
181	G	98.6	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.7	176.6	0	0	0	0	0	111.6	I141 E214 I215 S216	I141-G181 CarbonylContact O-C 3.31Å; G181-E214 PolarHBondContact N-O 2.76Å; G181-I215 CarbonylContact O-C 3.55Å; G181-I215 VanDerWaalsContact O-CA 3.31Å; G181-I215 WeakPolarHBondContact O-CA 3.14Å; G181-S216 PolarHBondContact O-N 2.99Å
182	Y	98.8	Very high	97.4	Very high	16 Å²	16	40.6 Å²	40.6	6%	0.063	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141.9	168.2	-74.2	-94.3	0	0	0	110.4	E87 A140 I141 G143 R180 S216 D272	E87-Y182 PolarHBondContact OE1-OH 2.85Å; A140-Y182 HydrophobicContact CB-CD2 4Å; A140-Y182 HydrophobicContact CB-CE2 3.65Å; I141-Y182 PolarHBondContact O-N 3.48Å; G143-Y182 PolarHBondContact N-O 2.9Å; R180-Y182 VanDerWaalsContact NH1-CZ 3.3Å; R180-Y182 PolarHBondContact NH1-OH 3.05Å; Y182-S216 WeakPolarHBondContact CA-O 3.34Å; Y182-D272 WeakPolarHBondContact CE1-OD2 3.32Å
183	V	98.6	Very high	97.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.5	168.1	-171.4	0	0	0	0	108.5	A145 V186 V200 V203 L207 I215 S216 L217 G218	A145-V183 HydrophobicContact CB-CG1 4.09Å; V183-V186 HydrophobicContact CB-CG1 3.98Å; V183-V186 HydrophobicContact CG1-CG1 3.89Å; V183-V186 WeakPolarHBondContact O-CG1 3.5Å; V183-V200 HydrophobicContact CG1-CG1 4.19Å; V183-V203 HydrophobicContact CG1-CB 4.37Å; V183-V203 HydrophobicContact CG1-CG1 3.97Å; V183-V203 HydrophobicContact CG2-CG1 3.99Å; V183-L207 HydrophobicContact CG2-CD1 3.57Å; V183-I215 HydrophobicContact CG2-CG2 3.82Å; V183-S216 PolarHBondContact N-O 3.3Å; V183-L217 HydrophobicContact CB-CD2 4.45Å; V183-L217 HydrophobicContact CG2-CD2 4.5Å; V183-G218 WeakPolarHBondContact O-CA 3.48Å; V183-G218 PolarHBondContact O-N 3.38Å
184	S	97.4	Very high	97.2	Very high	20 Å²	20	42.4 Å²	42.4	14%	0.14	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	159.7	175.2	-58.5	0	0	0	0	112.3	G143 A145 T220	G143-S184 PolarHBondContact O-N 3.08Å; G143-S184 PolarHBondContact O-OG 3.49Å; A145-S184 PolarHBondContact N-O 2.83Å; S184-T220 WeakPolarHBondContact CA-OG1 3.43Å; S184-T220 WeakPolarHBondContact CB-OG1 3.36Å
185	C	97.4	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.21	C	C	.	.			trans	62.9	34.3	175.5	-55.8	0	0	0	0	114.8	F149 L187 G188 C189 V195 G218 T220	F149-C185 WeakPolarHBondContact CD2-SG 3.24Å; F149-C185 WeakPolarHBondContact CG-SG 3.42Å; C185-L187 VanDerWaalsContact C-N 3.32Å; C185-L187 PolarHBondContact O-N 2.99Å; C185-G188 CarbonylContact C-O 3.59Å; C185-G188 WeakPolarHBondContact CA-O 3.21Å; C185-G188 VanDerWaalsContact CB-O 3.26Å; C185-G188 WeakPolarHBondContact CB-O 3.41Å; C185-G188 PolarHBondContact O-N 3.03Å; C185-C189 HydrophobicContact CB-CB 4.12Å; C185-V195 HydrophobicContact CB-CG2 4.45Å; C185-V195 WeakPolarHBondContact O-CB 3.34Å; C185-V195 WeakPolarHBondContact O-CG2 3.48Å; C185-G218 PolarHBondContact N-O 3.36Å; C185-T220 PolarHBondContact N-OG1 2.9Å
186	V	98.5	Very high	97.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.6	-173.4	-55.5	0	0	0	0	114	V183 V200 L217 G218 L232	V183-V186 HydrophobicContact CB-CG1 3.98Å; V183-V186 HydrophobicContact CG1-CG1 3.89Å; V183-V186 WeakPolarHBondContact O-CG1 3.5Å; V186-V200 HydrophobicContact CB-CG1 3.97Å; V186-V200 HydrophobicContact CB-CG2 4.2Å; V186-V200 HydrophobicContact CG1-CG1 3.67Å; V186-V200 HydrophobicContact CG1-CG2 4.49Å; V186-L217 HydrophobicContact CG1-CB 4.16Å; V186-L217 HydrophobicContact CG1-CD2 4.32Å; V186-L217 HydrophobicContact CG2-CB 4.23Å; V186-G218 VanDerWaalsContact CG2-O 3.31Å; V186-G218 WeakPolarHBondContact CG2-O 3.36Å; V186-G218 PolarHBondContact N-O 2.98Å; V186-G218 VanDerWaalsContact N-O 3.12Å; V186-L232 HydrophobicContact CB-CD1 4.31Å; V186-L232 HydrophobicContact CB-CD2 3.72Å; V186-L232 HydrophobicContact CG2-CD2 3.53Å
187	L	98.2	Very high	97.2	Very high	28 Å²	28	34.5 Å²	34.5	15%	0.147	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	9.4	177.8	-68.4	174.6	0	0	0	113.4	C185 D219 G228 M229 L232	C185-L187 VanDerWaalsContact C-N 3.32Å; C185-L187 PolarHBondContact O-N 2.99Å; L187-D219 HydrophobicContact CB-CB 4.27Å; L187-D219 HydrophobicContact CD1-CB 4.06Å; L187-D219 HydrophobicContact CG-CB 4.47Å; L187-G228 VanDerWaalsContact CD2-C 3.44Å; L187-G228 WeakPolarHBondContact CD2-O 3.43Å; L187-M229 HydrophobicContact CD1-CB 4.26Å; L187-M229 HydrophobicContact CD1-CE 3.77Å; L187-M229 HydrophobicContact CD1-SD 4.38Å; L187-L232 HydrophobicContact CD2-CB 3.95Å; L187-L232 HydrophobicContact CD2-CD2 3.78Å; L187-L232 HydrophobicContact CD2-CG 4.48Å; L187-L232 HydrophobicContact CG-CD2 3.95Å
188	G	96.7	Very high	97.2	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.031	20%	0.203	C	C	.	.			trans	154.9	151.6	-179.6	0	0	0	0	0	112.5	C185 G193	C185-G188 CarbonylContact C-O 3.59Å; C185-G188 WeakPolarHBondContact CA-O 3.21Å; C185-G188 VanDerWaalsContact CB-O 3.26Å; C185-G188 WeakPolarHBondContact CB-O 3.41Å; C185-G188 PolarHBondContact O-N 3.03Å; G188-G193 CarbonylContact C-O 3.58Å; G188-G193 WeakPolarHBondContact CA-O 3.29Å
189	C	96.4	Very high	97.2	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.027	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-119.4	136	177.4	173.6	0	0	0	0	110.1	S146 C185 Y191 E192 G193 V195	S146-C189 PolarHBondContact OG-SG 3.01Å; C185-C189 HydrophobicContact CB-CB 4.12Å; C189-Y191 PolarHBondContact O-N 2.74Å; C189-Y191 PolarHBondContact SG-N 3.12Å; C189-E192 HydrophobicContact CB-CB 4.07Å; C189-E192 PolarHBondContact SG-N 3.2Å; C189-G193 PolarHBondContact N-O 3.49Å; C189-G193 WeakPolarHBondContact O-CA 3.31Å; C189-G193 PolarHBondContact O-N 2.95Å; C189-V195 HydrophobicContact CB-CG2 3.79Å
190	P	93.6	Very high	97.2	Very high	48 Å²	48	35.3 Å²	35.3	31%	0.312	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-7.2	177	28.1	-35.7	0	0	0	113.9	F149 I221 Y283	F149-P190 HydrophobicContact CD2-CG 4.11Å; F149-P190 HydrophobicContact CE2-CG 4.32Å; P190-I221 HydrophobicContact CB-CG2 4.24Å; P190-I221 HydrophobicContact CG-CG2 4.15Å; P190-Y283 HydrophobicContact CB-CD1 4.09Å; P190-Y283 HydrophobicContact CB-CD2 4.44Å; P190-Y283 HydrophobicContact CB-CG 3.94Å; P190-Y283 HydrophobicContact CG-CD1 4.03Å; P190-Y283 HydrophobicContact CG-CD2 4.04Å; P190-Y283 HydrophobicContact CG-CE1 4.17Å; P190-Y283 HydrophobicContact CG-CE2 4.14Å; P190-Y283 HydrophobicContact CG-CG 3.95Å
191	Y	94	Very high	97.2	Very high	72 Å²	72	35.5 Å²	35.5	28%	0.282	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-41.8	-177.2	-48.5	-55.7	0	0	0	113.4	L148 F149 K152 C189 Y283	L148-Y191 HydrophobicContact CB-CD2 4.36Å; L148-Y191 HydrophobicContact CB-CG 4.44Å; F149-Y191 HydrophobicContact CB-CD2 4.23Å; F149-Y191 HydrophobicContact CB-CE2 4.44Å; F149-Y191 HydrophobicContact CD2-CD2 4.19Å; F149-Y191 AromaticContact CD2-CE2 3.84Å; F149-Y191 HydrophobicContact CD2-CE2 3.84Å; F149-Y191 HydrophobicContact CG-CE2 4.49Å; K152-Y191 HydrophobicContact CB-CE2 4.1Å; K152-Y191 HydrophobicContact CD-CD1 3.96Å; K152-Y191 HydrophobicContact CD-CD2 3.86Å; K152-Y191 HydrophobicContact CD-CE1 3.59Å; K152-Y191 HydrophobicContact CD-CE2 3.5Å; K152-Y191 VanDerWaalsContact CD-CE2 3.5Å; K152-Y191 HydrophobicContact CD-CG 4.05Å; K152-Y191 HydrophobicContact CG-CE2 4.37Å; C189-Y191 PolarHBondContact O-N 2.74Å; C189-Y191 PolarHBondContact SG-N 3.12Å; Y191-Y283 HydrophobicContact CE1-CE1 4.4Å; Y191-Y283 HydrophobicContact CE2-CE1 4.44Å; Y191-Y283 AromaticContact CZ-CE1 3.75Å; Y191-Y283 WeakPolarHBondContact OH-CE1 3.48Å
192	E	94	Very high	97.2	Very high	73 Å²	73	41.9 Å²	41.9	34%	0.341	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-11.8	-178.4	-67.6	175.7	-179.5	0	0	112.5	S146 E147 L148 C189	S146-E192 WeakPolarHBondContact CA-OE2 3.34Å; S146-E192 VanDerWaalsContact CB-OE2 3.29Å; S146-E192 WeakPolarHBondContact CB-OE2 3.27Å; S146-E192 PolarHBondContact OG-OE1 3.31Å; S146-E192 PolarHBondContact OG-OE2 3.11Å; E147-E192 PolarHBondContact N-OE1 3.01Å; E147-E192 PolarHBondContact N-OE2 2.89Å; L148-E192 HydrophobicContact CB-CG 3.93Å; L148-E192 HydrophobicContact CD1-CG 3.7Å; L148-E192 HydrophobicContact CG-CG 3.8Å; L148-E192 WeakPolarHBondContact CG-OE1 3.33Å; L148-E192 PolarHBondContact N-OE1 3.02Å; C189-E192 HydrophobicContact CB-CB 4.07Å; C189-E192 PolarHBondContact SG-N 3.2Å
193	G	95.4	Very high	97.2	Very high	41 Å²	41	41.5 Å²	41.5	42%	0.423	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	74.9	-123.6	-174	0	0	0	0	0	111.1	G188 C189	G188-G193 CarbonylContact C-O 3.58Å; G188-G193 WeakPolarHBondContact CA-O 3.29Å; C189-G193 PolarHBondContact N-O 3.49Å; C189-G193 WeakPolarHBondContact O-CA 3.31Å; C189-G193 PolarHBondContact O-N 2.95Å
194	Q	95.9	Very high	97.2	Very high	178 Å²	178	41.4 Å²	41.4	83%	0.832	22%	0.224	S	C	*	.	S	Bend	trans	-65.5	135.1	-176.6	-169.6	174.6	4.2	0	0	111.4
195	V	97.4	Very high	97.2	Very high	12 Å²	12	44.9 Å²	44.9	7%	0.073	24%	0.236	C	C	.	.			trans	-110.8	131.6	175.5	177.7	0	0	0	0	108.4	A145 C185 C189 V200	A145-V195 HydrophobicContact CB-CG1 3.71Å; C185-V195 HydrophobicContact CB-CG2 4.45Å; C185-V195 WeakPolarHBondContact O-CB 3.34Å; C185-V195 WeakPolarHBondContact O-CG2 3.48Å; C189-V195 HydrophobicContact CB-CG2 3.79Å; V195-V200 HydrophobicContact CG1-CG2 3.93Å
196	S	97.9	Very high	97.3	Very high	58 Å²	58	48.3 Å²	48.3	41%	0.406	25%	0.249	S	C	.	.			trans	-70.3	132.1	179.1	169	0	0	0	0	111.1	D198 K199 V200	S196-D198 PolarHBondContact O-N 2.9Å; S196-D198 PolarHBondContact OG-N 3.12Å; S196-K199 WeakPolarHBondContact O-CB 3.09Å; S196-K199 PolarHBondContact O-N 3.33Å; S196-V200 PolarHBondContact O-N 3.27Å
197	P	98.4	Very high	97.3	Very high	34 Å²	34	48.2 Å²	48.2	22%	0.221	25%	0.249	C	C	.	.	H	α-helix	trans	-51.9	-38.3	172.1	-31.5	38.4	0	0	0	114.1	K199 V200 A201 E231 A235	P197-K199 VanDerWaalsContact C-N 3.29Å; P197-K199 PolarHBondContact O-N 3.39Å; P197-V200 WeakPolarHBondContact O-CB 3.47Å; P197-V200 PolarHBondContact O-N 3.05Å; P197-V200 VanDerWaalsContact O-N 3.14Å; P197-A201 PolarHBondContact O-N 2.81Å; P197-E231 HydrophobicContact CG-CB 4.5Å; P197-A235 HydrophobicContact CB-CB 3.57Å
198	D	98.3	Very high	97.3	Very high	92 Å²	92	51 Å²	51	49%	0.492	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-35.3	179.8	-66.1	-30.1	0	0	0	111.7	S196 V200 A201 Q202	S196-D198 PolarHBondContact O-N 2.9Å; S196-D198 PolarHBondContact OG-N 3.12Å; D198-V200 VanDerWaalsContact C-N 3.34Å; D198-A201 PolarHBondContact O-N 3.4Å; D198-Q202 VanDerWaalsContact O-CG 3.28Å; D198-Q202 WeakPolarHBondContact O-CG 3.41Å; D198-Q202 PolarHBondContact O-N 2.83Å
199	K	97.8	Very high	97.4	Very high	58 Å²	58	55.1 Å²	55.1	25%	0.252	29%	0.286	S	S	.	.	H	α-helix	trans	-66.9	-39.1	175.1	-170.4	173.5	-179.5	-168.7	0	111	A145 S196 P197 Q202 V203	A145-K199 WeakPolarHBondContact O-CD 3.49Å; A145-K199 WeakPolarHBondContact O-CE 3.25Å; A145-K199 PolarHBondContact O-NZ 2.9Å; A145-K199 VanDerWaalsContact O-NZ 3.12Å; S196-K199 WeakPolarHBondContact O-CB 3.09Å; S196-K199 PolarHBondContact O-N 3.33Å; P197-K199 VanDerWaalsContact C-N 3.29Å; P197-K199 PolarHBondContact O-N 3.39Å; K199-Q202 PolarHBondContact O-N 3.3Å; K199-V203 WeakPolarHBondContact O-CG2 3.42Å; K199-V203 PolarHBondContact O-N 3.36Å
200	V	98.7	Very high	97.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-44.6	174	-173.2	0	0	0	0	110.6	A145 V183 V186 V195 S196 P197 D198 Q202 V203 A204 L217 L232 V236	A145-V200 HydrophobicContact CB-CB 4.42Å; A145-V200 HydrophobicContact CB-CG2 3.71Å; V183-V200 HydrophobicContact CG1-CG1 4.19Å; V186-V200 HydrophobicContact CB-CG1 3.97Å; V186-V200 HydrophobicContact CB-CG2 4.2Å; V186-V200 HydrophobicContact CG1-CG1 3.67Å; V186-V200 HydrophobicContact CG1-CG2 4.49Å; V195-V200 HydrophobicContact CG1-CG2 3.93Å; S196-V200 PolarHBondContact O-N 3.27Å; P197-V200 WeakPolarHBondContact O-CB 3.47Å; P197-V200 PolarHBondContact O-N 3.05Å; P197-V200 VanDerWaalsContact O-N 3.14Å; D198-V200 VanDerWaalsContact C-N 3.34Å; V200-Q202 VanDerWaalsContact C-N 3.33Å; V200-Q202 PolarHBondContact O-N 2.85Å; V200-V203 PolarHBondContact O-N 3.26Å; V200-A204 WeakPolarHBondContact O-CB 3.2Å; V200-A204 PolarHBondContact O-N 3.32Å; V200-L217 HydrophobicContact CG1-CD2 3.99Å; V200-L232 HydrophobicContact CB-CD1 3.68Å; V200-L232 HydrophobicContact CG1-CD1 3.65Å; V200-L232 HydrophobicContact CG2-CD1 3.88Å; V200-V236 HydrophobicContact CB-CG2 4.44Å; V200-V236 HydrophobicContact CG1-CG2 4.1Å
201	A	98.8	Very high	97.5	Very high	5 Å²	5	56.5 Å²	56.5	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-41.3	177.7	0	0	0	0	0	112.2	P197 D198 A204 K205 V236 E239	P197-A201 PolarHBondContact O-N 2.81Å; D198-A201 PolarHBondContact O-N 3.4Å; A201-A204 PolarHBondContact O-N 3Å; A201-K205 WeakPolarHBondContact O-CB 3.45Å; A201-K205 PolarHBondContact O-N 2.8Å; A201-V236 HydrophobicContact CB-CG2 4.19Å; A201-E239 HydrophobicContact CB-CG 4.23Å
202	Q	98.4	Very high	97.8	Very high	134 Å²	134	53.2 Å²	53.2	63%	0.626	29%	0.29	S	S	*	.	H	α-helix	trans	-61	-46.9	175.6	-72.4	168.7	24.4	0	0	112.6	D198 K199 V200 R206	D198-Q202 VanDerWaalsContact O-CG 3.28Å; D198-Q202 WeakPolarHBondContact O-CG 3.41Å; D198-Q202 PolarHBondContact O-N 2.83Å; K199-Q202 PolarHBondContact O-N 3.3Å; V200-Q202 VanDerWaalsContact C-N 3.33Å; V200-Q202 PolarHBondContact O-N 2.85Å; Q202-R206 WeakPolarHBondContact O-CB 3.48Å; Q202-R206 PolarHBondContact O-N 3.38Å
203	V	98.5	Very high	98	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-65.8	-45.4	178.4	177.1	0	0	0	0	110.8	V158 L162 V183 K199 V200 K205 R206 L207	V158-V203 HydrophobicContact CG1-CG2 3.82Å; L162-V203 HydrophobicContact CD1-CG1 4.44Å; L162-V203 HydrophobicContact CD2-CG1 4.38Å; V183-V203 HydrophobicContact CG1-CB 4.37Å; V183-V203 HydrophobicContact CG1-CG1 3.97Å; V183-V203 HydrophobicContact CG2-CG1 3.99Å; K199-V203 WeakPolarHBondContact O-CG2 3.42Å; K199-V203 PolarHBondContact O-N 3.36Å; V200-V203 PolarHBondContact O-N 3.26Å; V203-K205 PolarHBondContact O-N 3.06Å; V203-R206 PolarHBondContact O-N 3.41Å; V203-L207 HydrophobicContact CG1-CD1 4.27Å; V203-L207 WeakPolarHBondContact O-CG 3.46Å; V203-L207 PolarHBondContact O-N 3.05Å
204	A	98.8	Very high	98.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-46.3	177.5	0	0	0	0	0	111.7	V200 A201 R206 L207 Y208 I215 L217 V236 V240	V200-A204 WeakPolarHBondContact O-CB 3.2Å; V200-A204 PolarHBondContact O-N 3.32Å; A201-A204 PolarHBondContact O-N 3Å; A204-R206 VanDerWaalsContact C-N 3.3Å; A204-R206 PolarHBondContact O-N 3.49Å; A204-L207 PolarHBondContact O-N 2.94Å; A204-Y208 WeakPolarHBondContact O-CB 3.29Å; A204-Y208 PolarHBondContact O-N 3.04Å; A204-I215 HydrophobicContact CB-CG2 4.06Å; A204-L217 HydrophobicContact CB-CD2 4.42Å; A204-V236 HydrophobicContact CB-CG1 3.92Å; A204-V240 HydrophobicContact CB-CG2 4.14Å
205	K	98.6	Very high	98.3	Very high	92 Å²	92	42.6 Å²	42.6	40%	0.4	23%	0.227	S	C	.	.	H	α-helix	trans	-57.2	-43.6	175	-176	-177.9	-170.1	160.1	0	111.8	A201 V203 Y208 S209 E239	A201-K205 WeakPolarHBondContact O-CB 3.45Å; A201-K205 PolarHBondContact O-N 2.8Å; V203-K205 PolarHBondContact O-N 3.06Å; K205-Y208 PolarHBondContact O-N 3.31Å; K205-S209 VanDerWaalsContact O-CB 3.25Å; K205-S209 WeakPolarHBondContact O-CB 3.12Å; K205-S209 PolarHBondContact O-N 2.95Å; K205-S209 PolarHBondContact O-OG 3Å; K205-E239 HydrophobicContact CB-CB 4.08Å; K205-E239 HydrophobicContact CD-CB 4.22Å; K205-E239 HydrophobicContact CD-CG 4.45Å; K205-E239 VanDerWaalsContact CD-OE2 3.29Å; K205-E239 WeakPolarHBondContact CD-OE2 3.35Å; K205-E239 VanDerWaalsContact CE-OE2 3.27Å; K205-E239 WeakPolarHBondContact CE-OE2 3.37Å; K205-E239 HydrophobicContact CG-CB 4.32Å; K205-E239 IonicContact NZ-OE2 2.67Å; K205-E239 PolarHBondContact NZ-OE2 3.27Å
206	R	98.3	Very high	98.4	Very high	72 Å²	72	42 Å²	42	27%	0.272	22%	0.224	S	C	.	.	H	α-helix	trans	-67.3	-43.2	-179	-171.8	151.5	174.7	-152	-2.9	111.7	D159 L162 E166 Q202 V203 A204 S209 M210	D159-R206 IonicContact OD1-NH1 3.96Å; D159-R206 PolarHBondContact OD1-NH1 2.63Å; L162-R206 HydrophobicContact CD1-CB 4.29Å; L162-R206 HydrophobicContact CD1-CG 4.12Å; E166-R206 IonicContact OE1-CZ 3.09Å; E166-R206 IonicContact OE1-NE 3.87Å; E166-R206 IonicContact OE1-NH2 2.76Å; E166-R206 PolarHBondContact OE1-NH2 3.49Å; E166-R206 VanDerWaalsContact OE1-NH2 3.12Å; Q202-R206 WeakPolarHBondContact O-CB 3.48Å; Q202-R206 PolarHBondContact O-N 3.38Å; V203-R206 PolarHBondContact O-N 3.41Å; A204-R206 VanDerWaalsContact C-N 3.3Å; A204-R206 PolarHBondContact O-N 3.49Å; R206-S209 PolarHBondContact O-N 2.98Å; R206-M210 HydrophobicContact CG-CE 3.89Å; R206-M210 WeakPolarHBondContact O-CE 3.34Å; R206-M210 WeakPolarHBondContact O-CG 3.44Å; R206-M210 PolarHBondContact O-N 3.46Å
207	L	98.6	Very high	98.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-44.1	173.1	-71.4	171.2	0	0	0	112	I141 L162 V183 V203 A204 M210 C212 I215	I141-L207 HydrophobicContact CD1-CD2 3.75Å; I141-L207 HydrophobicContact CG1-CD2 4.39Å; L162-L207 HydrophobicContact CD2-CD2 3.66Å; L162-L207 HydrophobicContact CD2-CG 3.91Å; V183-L207 HydrophobicContact CG2-CD1 3.57Å; V203-L207 HydrophobicContact CG1-CD1 4.27Å; V203-L207 WeakPolarHBondContact O-CG 3.46Å; V203-L207 PolarHBondContact O-N 3.05Å; A204-L207 PolarHBondContact O-N 2.94Å; L207-M210 HydrophobicContact CD2-CE 4.19Å; L207-M210 HydrophobicContact CD2-SD 3.96Å; L207-M210 WeakPolarHBondContact O-CG 3.49Å; L207-M210 PolarHBondContact O-N 3.26Å; L207-C212 VanDerWaalsContact O-CB 3.22Å; L207-C212 WeakPolarHBondContact O-CB 3.41Å; L207-C212 PolarHBondContact O-N 2.9Å; L207-C212 VanDerWaalsContact O-N 3.14Å; L207-C212 PolarHBondContact O-SG 3.44Å; L207-I215 HydrophobicContact CB-CD1 3.52Å; L207-I215 HydrophobicContact CD1-CD1 4.49Å
208	Y	98.6	Very high	98.4	Very high	87 Å²	87	37.9 Å²	37.9	34%	0.341	20%	0.196	S	C	.	.	H	α-helix	trans	-63.5	-46.1	176.9	-174.7	-107.9	0	0	0	111.4	A204 K205 M210 G211 C212 V240 P241 A244	A204-Y208 WeakPolarHBondContact O-CB 3.29Å; A204-Y208 PolarHBondContact O-N 3.04Å; K205-Y208 PolarHBondContact O-N 3.31Å; Y208-M210 VanDerWaalsContact C-N 3.29Å; Y208-M210 PolarHBondContact O-N 3.15Å; Y208-G211 PolarHBondContact O-N 3.41Å; Y208-C212 WeakPolarHBondContact CD2-O 3.29Å; Y208-V240 HydrophobicContact CD1-CG1 4.48Å; Y208-V240 HydrophobicContact CD2-CG1 4.01Å; Y208-V240 HydrophobicContact CG-CG1 3.99Å; Y208-V240 HydrophobicContact CG-CG2 4.48Å; Y208-P241 HydrophobicContact CE1-CG 4.27Å; Y208-A244 HydrophobicContact CD2-CB 4.06Å; Y208-A244 HydrophobicContact CE2-CB 3.58Å
209	S	98.1	Very high	98.4	Very high	89 Å²	89	33.5 Å²	33.5	62%	0.622	17%	0.173	S	C	*	.	H	α-helix	trans	-65	-29	-179.1	-57.4	0	0	0	0	113.4	K205 R206 G211	K205-S209 VanDerWaalsContact O-CB 3.25Å; K205-S209 WeakPolarHBondContact O-CB 3.12Å; K205-S209 PolarHBondContact O-N 2.95Å; K205-S209 PolarHBondContact O-OG 3Å; R206-S209 PolarHBondContact O-N 2.98Å; S209-G211 PolarHBondContact O-N 3.33Å
210	M	96.5	Very high	98.2	Very high	30 Å²	30	31.9 Å²	31.9	15%	0.148	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-0.9	176	67.7	176	67.8	0	0	113.9	I141 L162 F165 E166 T169 R206 L207 Y208	I141-M210 HydrophobicContact CD1-SD 4.14Å; L162-M210 HydrophobicContact CB-CE 4.2Å; L162-M210 HydrophobicContact CD2-CE 3.97Å; F165-M210 HydrophobicContact CB-SD 4.03Å; E166-M210 HydrophobicContact CG-CE 4.32Å; T169-M210 VanDerWaalsContact CB-O 3.3Å; T169-M210 WeakPolarHBondContact CB-O 3.39Å; T169-M210 HydrophobicContact CG2-CG 3.98Å; T169-M210 HydrophobicContact CG2-SD 3.95Å; T169-M210 PolarHBondContact OG1-O 2.96Å; R206-M210 HydrophobicContact CG-CE 3.89Å; R206-M210 WeakPolarHBondContact O-CE 3.34Å; R206-M210 WeakPolarHBondContact O-CG 3.44Å; R206-M210 PolarHBondContact O-N 3.46Å; L207-M210 HydrophobicContact CD2-CE 4.19Å; L207-M210 HydrophobicContact CD2-SD 3.96Å; L207-M210 WeakPolarHBondContact O-CG 3.49Å; L207-M210 PolarHBondContact O-N 3.26Å; Y208-M210 VanDerWaalsContact C-N 3.29Å; Y208-M210 PolarHBondContact O-N 3.15Å
211	G	97.4	Very high	98.1	Very high	52 Å²	52	32.6 Å²	32.6	54%	0.536	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.7	10	172.2	0	0	0	0	0	115.7	Y208 S209 Y213	Y208-G211 PolarHBondContact O-N 3.41Å; S209-G211 PolarHBondContact O-N 3.33Å; G211-Y213 PolarHBondContact O-N 3.28Å
212	C	98.6	Very high	98	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	128.6	168.4	-66.4	0	0	0	0	110	V179 L207 Y208 I215	V179-C212 CarbonylContact O-C 3.59Å; V179-C212 WeakPolarHBondContact O-CA 3.48Å; L207-C212 VanDerWaalsContact O-CB 3.22Å; L207-C212 WeakPolarHBondContact O-CB 3.41Å; L207-C212 PolarHBondContact O-N 2.9Å; L207-C212 VanDerWaalsContact O-N 3.14Å; L207-C212 PolarHBondContact O-SG 3.44Å; Y208-C212 WeakPolarHBondContact CD2-O 3.29Å; C212-I215 HydrophobicContact CB-CD1 3.55Å
213	Y	98.6	Very high	97.9	Very high	63 Å²	63	28.8 Å²	28.8	25%	0.247	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-23.7	-177.4	83.2	-89.6	0	0	0	112.8	E138 R178 V179 R180 G211	E138-Y213 HydrophobicContact CG-CE1 4.32Å; E138-Y213 WeakPolarHBondContact OE1-CE1 3.47Å; E138-Y213 PolarHBondContact OE1-OH 3.26Å; R178-Y213 HydrophobicContact CB-CD1 3.91Å; R178-Y213 HydrophobicContact CB-CE1 4.12Å; V179-Y213 WeakPolarHBondContact O-CD1 3.38Å; V179-Y213 PolarHBondContact O-N 2.77Å; R180-Y213 HydrophobicContact CB-CE1 4.16Å; G211-Y213 PolarHBondContact O-N 3.28Å
214	E	98.8	Very high	97.9	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.028	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	138.7	-178.9	-178	179.1	102.1	0	0	109.9	K49 R180 G181 A244 A246	K49-E214 IonicContact NZ-OE1 3.46Å; K49-E214 IonicContact NZ-OE2 2.65Å; K49-E214 PolarHBondContact NZ-OE2 3.33Å; R180-E214 HydrophobicContact CG-CB 4.42Å; R180-E214 IonicContact CZ-OE1 3.67Å; R180-E214 IonicContact NE-OE1 2.88Å; R180-E214 PolarHBondContact NE-OE1 3.13Å; R180-E214 IonicContact NH2-OE1 3.46Å; R180-E214 PolarHBondContact NH2-OE1 2.92Å; G181-E214 PolarHBondContact N-O 2.76Å; E214-A244 CarbonylContact C-O 3.51Å; E214-A244 VanDerWaalsContact CA-O 3.28Å; E214-A244 WeakPolarHBondContact CA-O 3.38Å; E214-A246 HydrophobicContact CG-CB 4.19Å
215	I	98.9	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	115.5	179.8	-48.3	-57	0	0	0	110	G181 V183 A204 L207 C212 L217 V240 A244 L245 A246	G181-I215 CarbonylContact O-C 3.55Å; G181-I215 VanDerWaalsContact O-CA 3.31Å; G181-I215 WeakPolarHBondContact O-CA 3.14Å; V183-I215 HydrophobicContact CG2-CG2 3.82Å; A204-I215 HydrophobicContact CB-CG2 4.06Å; L207-I215 HydrophobicContact CB-CD1 3.52Å; L207-I215 HydrophobicContact CD1-CD1 4.49Å; C212-I215 HydrophobicContact CB-CD1 3.55Å; I215-L217 HydrophobicContact CG2-CD2 4.24Å; I215-V240 HydrophobicContact CG1-CG1 4.49Å; I215-A244 PolarHBondContact N-O 3.26Å; I215-L245 HydrophobicContact CB-CD2 4.19Å; I215-A246 PolarHBondContact O-N 2.82Å
216	S	98.9	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.4	173.7	-174.1	0	0	0	0	111	G181 Y182 V183 H248 D272	G181-S216 PolarHBondContact O-N 2.99Å; Y182-S216 WeakPolarHBondContact CA-O 3.34Å; V183-S216 PolarHBondContact N-O 3.3Å; S216-H248 WeakPolarHBondContact OG-CB 3.5Å; S216-D272 PolarHBondContact OG-OD2 3.44Å
217	L	98.9	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	106.9	-179.6	-58.7	174.8	0	0	0	109.6	V183 V186 V200 A204 I215 L233 V236 L245 A246 H248	V183-L217 HydrophobicContact CB-CD2 4.45Å; V183-L217 HydrophobicContact CG2-CD2 4.5Å; V186-L217 HydrophobicContact CG1-CB 4.16Å; V186-L217 HydrophobicContact CG1-CD2 4.32Å; V186-L217 HydrophobicContact CG2-CB 4.23Å; V200-L217 HydrophobicContact CG1-CD2 3.99Å; A204-L217 HydrophobicContact CB-CD2 4.42Å; I215-L217 HydrophobicContact CG2-CD2 4.24Å; L217-L233 HydrophobicContact CD1-CD2 3.73Å; L217-V236 HydrophobicContact CD1-CB 4.37Å; L217-V236 HydrophobicContact CD1-CG1 4.2Å; L217-V236 HydrophobicContact CD1-CG2 4.22Å; L217-V236 HydrophobicContact CD2-CG1 4.46Å; L217-V236 HydrophobicContact CD2-CG2 4.46Å; L217-L245 HydrophobicContact CD1-CD2 4.39Å; L217-A246 PolarHBondContact N-O 3.26Å; L217-H248 PolarHBondContact O-N 3.44Å
218	G	98.3	Very high	97.9	Very high	4 Å²	4	29.3 Å²	29.3	4%	0.041	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	111	-171.2	0	0	0	0	0	115.2	V183 C185 V186 T220 H248	V183-G218 WeakPolarHBondContact O-CA 3.48Å; V183-G218 PolarHBondContact O-N 3.38Å; C185-G218 PolarHBondContact N-O 3.36Å; V186-G218 VanDerWaalsContact CG2-O 3.31Å; V186-G218 WeakPolarHBondContact CG2-O 3.36Å; V186-G218 PolarHBondContact N-O 2.98Å; V186-G218 VanDerWaalsContact N-O 3.12Å; G218-T220 PolarHBondContact O-N 2.95Å; G218-T220 PolarHBondContact O-OG1 3.43Å; G218-H248 CarbonylContact C-O 3.53Å; G218-H248 VanDerWaalsContact CA-O 3.29Å; G218-H248 WeakPolarHBondContact CA-O 3.37Å
219	D	98.1	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	74.6	161.4	-177.8	10.5	0	0	0	109.6	L187 I221 G222 V223 G224 H248 H250	L187-D219 HydrophobicContact CB-CB 4.27Å; L187-D219 HydrophobicContact CD1-CB 4.06Å; L187-D219 HydrophobicContact CG-CB 4.47Å; D219-I221 PolarHBondContact O-N 2.94Å; D219-I221 VanDerWaalsContact O-N 3.11Å; D219-G222 PolarHBondContact O-N 3.46Å; D219-G222 VanDerWaalsContact O-N 3.12Å; D219-G222 WeakPolarHBondContact OD1-CA 3.06Å; D219-G222 PolarHBondContact OD1-N 3.47Å; D219-G222 VanDerWaalsContact OD2-C 3.29Å; D219-G222 VanDerWaalsContact OD2-CA 3.26Å; D219-G222 WeakPolarHBondContact OD2-CA 3.44Å; D219-V223 PolarHBondContact OD1-N 3.39Å; D219-V223 PolarHBondContact OD2-N 2.87Å; D219-G224 WeakPolarHBondContact OD2-CA 3.2Å; D219-G224 PolarHBondContact OD2-N 3.16Å; D219-H248 PolarHBondContact N-O 2.91Å; D219-H250 WeakPolarHBondContact O-CB 3.36Å; D219-H250 PolarHBondContact O-N 2.93Å
220	T	94.4	Very high	97.9	Very high	24 Å²	24	22.2 Å²	22.2	15%	0.147	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.6	-170	-45.1	0	0	0	0	114.2	F149 S184 C185 G218 H250	F149-T220 HydrophobicContact CZ-CG2 4.14Å; S184-T220 WeakPolarHBondContact CA-OG1 3.43Å; S184-T220 WeakPolarHBondContact CB-OG1 3.36Å; C185-T220 PolarHBondContact N-OG1 2.9Å; G218-T220 PolarHBondContact O-N 2.95Å; G218-T220 PolarHBondContact O-OG1 3.43Å; T220-H250 PolarHBondContact O-CE1 3.16Å; T220-H250 VanDerWaalsContact O-CE1 3.29Å; T220-H250 PolarHBondContact O-ND1 3.4Å
221	I	95.1	Very high	98	Very high	16 Å²	16	25.9 Å²	25.9	8%	0.082	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-5.6	-179	55.7	169.6	0	0	0	112.7	P190 D219 V223 T252 Y283	P190-I221 HydrophobicContact CB-CG2 4.24Å; P190-I221 HydrophobicContact CG-CG2 4.15Å; D219-I221 PolarHBondContact O-N 2.94Å; D219-I221 VanDerWaalsContact O-N 3.11Å; I221-V223 VanDerWaalsContact C-N 3.31Å; I221-V223 HydrophobicContact CB-CG1 4.31Å; I221-V223 HydrophobicContact CD1-CB 4.25Å; I221-V223 HydrophobicContact CD1-CG1 3.63Å; I221-V223 HydrophobicContact CD1-CG2 3.6Å; I221-V223 HydrophobicContact CG1-CB 4.27Å; I221-V223 HydrophobicContact CG1-CG1 3.77Å; I221-V223 HydrophobicContact CG1-CG2 3.7Å; I221-V223 PolarHBondContact O-N 3.29Å; I221-T252 WeakPolarHBondContact O-CB 3.19Å; I221-T252 PolarHBondContact O-OG1 2.84Å; I221-Y283 HydrophobicContact CG2-CD2 3.79Å; I221-Y283 HydrophobicContact CG2-CG 4.37Å
222	G	96.7	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	70.4	24.5	175.9	0	0	0	0	0	113.7	D219 H250 Y253	D219-G222 PolarHBondContact O-N 3.46Å; D219-G222 VanDerWaalsContact O-N 3.12Å; D219-G222 WeakPolarHBondContact OD1-CA 3.06Å; D219-G222 PolarHBondContact OD1-N 3.47Å; D219-G222 VanDerWaalsContact OD2-C 3.29Å; D219-G222 VanDerWaalsContact OD2-CA 3.26Å; D219-G222 WeakPolarHBondContact OD2-CA 3.44Å; G222-H250 WeakPolarHBondContact CA-O 3.33Å; G222-Y253 WeakPolarHBondContact O-CB 3.36Å; G222-Y253 WeakPolarHBondContact O-CD2 3.35Å
223	V	97.2	Very high	98.1	Very high	58 Å²	58	23.4 Å²	23.4	35%	0.352	15%	0.146	S	C	.	.			trans	-92.1	-9.9	-177.7	-59.8	0	0	0	0	112.6	D219 I221 Y253	D219-V223 PolarHBondContact OD1-N 3.39Å; D219-V223 PolarHBondContact OD2-N 2.87Å; I221-V223 VanDerWaalsContact C-N 3.31Å; I221-V223 HydrophobicContact CB-CG1 4.31Å; I221-V223 HydrophobicContact CD1-CB 4.25Å; I221-V223 HydrophobicContact CD1-CG1 3.63Å; I221-V223 HydrophobicContact CD1-CG2 3.6Å; I221-V223 HydrophobicContact CG1-CB 4.27Å; I221-V223 HydrophobicContact CG1-CG1 3.77Å; I221-V223 HydrophobicContact CG1-CG2 3.7Å; I221-V223 PolarHBondContact O-N 3.29Å; V223-Y253 HydrophobicContact CG1-CD2 4.02Å; V223-Y253 HydrophobicContact CG1-CE2 3.69Å
224	G	98	Very high	98.1	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.031	16%	0.156	C	C	.	.			trans	-62.1	147.7	179.7	0	0	0	0	0	111.9	D219 Q255 N259	D219-G224 WeakPolarHBondContact OD2-CA 3.2Å; D219-G224 PolarHBondContact OD2-N 3.16Å; G224-Q255 WeakPolarHBondContact O-CB 3.38Å; G224-Q255 WeakPolarHBondContact O-CG 3.43Å; G224-N259 VanDerWaalsContact C-ND2 3.32Å; G224-N259 PolarHBondContact O-ND2 3.49Å
225	T	98.8	Very high	98.1	Very high	73 Å²	73	25.2 Å²	25.2	45%	0.448	16%	0.157	S	C	.	.			trans	-123.1	163.2	175.4	59.5	0	0	0	0	109.8	G227 G228 M229 N259	T225-G227 VanDerWaalsContact C-N 3.25Å; T225-G227 PolarHBondContact O-N 3.18Å; T225-G227 VanDerWaalsContact O-N 3.13Å; T225-G228 PolarHBondContact O-N 3.35Å; T225-M229 PolarHBondContact O-N 2.86Å; T225-N259 WeakPolarHBondContact CA-OD1 3.33Å; T225-N259 PolarHBondContact O-OD1 3.38Å
226	P	98.6	Very high	98.1	Very high	44 Å²	44	25.2 Å²	25.2	29%	0.286	16%	0.157	S	C	.	.	H	α-helix	trans	-50.3	-40.9	-177.8	-36.2	40.6	0	0	0	114.8	M229 A230 A258 N259 I262	P226-M229 PolarHBondContact O-N 3.13Å; P226-A230 PolarHBondContact O-N 3.18Å; P226-A258 HydrophobicContact CG-CB 3.96Å; P226-N259 WeakPolarHBondContact CD-OD1 3.38Å; P226-I262 HydrophobicContact CB-CD1 4.14Å; P226-I262 HydrophobicContact CB-CG1 3.62Å; P226-I262 HydrophobicContact CG-CG1 4.45Å
227	G	98.4	Very high	98	Very high	42 Å²	42	27.6 Å²	27.6	43%	0.433	17%	0.174	S	C	.	.	H	α-helix	trans	-65	-45.2	176.8	0	0	0	0	0	112.8	T225 M229 A230 E231	T225-G227 VanDerWaalsContact C-N 3.25Å; T225-G227 PolarHBondContact O-N 3.18Å; T225-G227 VanDerWaalsContact O-N 3.13Å; G227-M229 PolarHBondContact O-N 3.06Å; G227-A230 PolarHBondContact O-N 2.58Å; G227-E231 PolarHBondContact O-N 2.78Å; G227-E231 VanDerWaalsContact O-N 3.08Å
228	G	98.5	Very high	98	Very high	22 Å²	22	35.7 Å²	35.7	23%	0.227	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-37.3	176.5	0	0	0	0	0	112.9	L187 T225 A230 E231 L232	L187-G228 VanDerWaalsContact CD2-C 3.44Å; L187-G228 WeakPolarHBondContact CD2-O 3.43Å; T225-G228 PolarHBondContact O-N 3.35Å; G228-A230 VanDerWaalsContact C-N 3.34Å; G228-E231 PolarHBondContact O-N 2.76Å; G228-L232 VanDerWaalsContact O-CB 3.25Å; G228-L232 WeakPolarHBondContact O-CB 3.48Å; G228-L232 PolarHBondContact O-N 3.15Å
229	M	98.8	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-42.3	173.8	179.9	58.6	83.1	0	0	111.5	L187 T225 P226 G227 L232 L233 V247 N259 I262	L187-M229 HydrophobicContact CD1-CB 4.26Å; L187-M229 HydrophobicContact CD1-CE 3.77Å; L187-M229 HydrophobicContact CD1-SD 4.38Å; T225-M229 PolarHBondContact O-N 2.86Å; P226-M229 PolarHBondContact O-N 3.13Å; G227-M229 PolarHBondContact O-N 3.06Å; M229-L232 PolarHBondContact O-N 2.77Å; M229-L232 HydrophobicContact SD-CD2 4.26Å; M229-L233 HydrophobicContact CG-CD1 3.92Å; M229-L233 HydrophobicContact CG-CG 4.43Å; M229-L233 WeakPolarHBondContact O-CB 3.49Å; M229-L233 WeakPolarHBondContact O-CG 3.5Å; M229-L233 PolarHBondContact O-N 2.92Å; M229-L233 HydrophobicContact SD-CD1 3.72Å; M229-L233 HydrophobicContact SD-CD2 4.38Å; M229-L233 HydrophobicContact SD-CG 3.82Å; M229-V247 HydrophobicContact CE-CG1 4.19Å; M229-V247 HydrophobicContact SD-CG1 4.24Å; M229-N259 HydrophobicContact CB-CB 4.39Å; M229-N259 HydrophobicContact CE-CB 3.88Å; M229-N259 HydrophobicContact CG-CB 4.4Å; M229-I262 HydrophobicContact CB-CG2 4.29Å; M229-I262 HydrophobicContact CG-CB 4.23Å; M229-I262 HydrophobicContact CG-CG2 4.04Å
230	A	98.7	Very high	98	Very high	26 Å²	26	39.7 Å²	39.7	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-50.7	177.1	0	0	0	0	0	111.9	P226 G227 G228 L232 L233 E234 I262 M266	P226-A230 PolarHBondContact O-N 3.18Å; G227-A230 PolarHBondContact O-N 2.58Å; G228-A230 VanDerWaalsContact C-N 3.34Å; A230-L232 VanDerWaalsContact C-N 3.29Å; A230-L232 PolarHBondContact O-N 3.43Å; A230-L233 PolarHBondContact O-N 3.4Å; A230-E234 WeakPolarHBondContact O-CG 3.28Å; A230-E234 PolarHBondContact O-N 3.24Å; A230-I262 HydrophobicContact CB-CG2 3.97Å; A230-M266 HydrophobicContact CB-SD 4.11Å; A230-M266 WeakPolarHBondContact O-CE 3.38Å
231	E	98.6	Very high	98.2	Very high	107 Å²	107	41 Å²	41	50%	0.5	23%	0.231	S	C	.	.	H	α-helix	trans	-58.4	-41.6	177.5	-70.5	177.8	-176.3	0	0	112.1	P197 G227 G228 A235	P197-E231 HydrophobicContact CG-CB 4.5Å; G227-E231 PolarHBondContact O-N 2.78Å; G227-E231 VanDerWaalsContact O-N 3.08Å; G228-E231 PolarHBondContact O-N 2.76Å; E231-A235 PolarHBondContact O-N 3.45Å; E231-A235 VanDerWaalsContact O-N 3.14Å
232	L	98.8	Very high	98.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-58.9	-54.3	175.5	170.4	64.9	0	0	0	111.7	V186 L187 V200 G228 M229 A230 E234 A235 V236	V186-L232 HydrophobicContact CB-CD1 4.31Å; V186-L232 HydrophobicContact CB-CD2 3.72Å; V186-L232 HydrophobicContact CG2-CD2 3.53Å; L187-L232 HydrophobicContact CD2-CB 3.95Å; L187-L232 HydrophobicContact CD2-CD2 3.78Å; L187-L232 HydrophobicContact CD2-CG 4.48Å; L187-L232 HydrophobicContact CG-CD2 3.95Å; V200-L232 HydrophobicContact CB-CD1 3.68Å; V200-L232 HydrophobicContact CG1-CD1 3.65Å; V200-L232 HydrophobicContact CG2-CD1 3.88Å; G228-L232 VanDerWaalsContact O-CB 3.25Å; G228-L232 WeakPolarHBondContact O-CB 3.48Å; G228-L232 PolarHBondContact O-N 3.15Å; M229-L232 PolarHBondContact O-N 2.77Å; M229-L232 HydrophobicContact SD-CD2 4.26Å; A230-L232 VanDerWaalsContact C-N 3.29Å; A230-L232 PolarHBondContact O-N 3.43Å; L232-E234 VanDerWaalsContact C-N 3.32Å; L232-E234 PolarHBondContact O-N 3.25Å; L232-A235 PolarHBondContact O-N 2.99Å; L232-V236 HydrophobicContact CD1-CG2 3.82Å; L232-V236 HydrophobicContact CG-CG2 4.47Å; L232-V236 WeakPolarHBondContact O-CG2 3.2Å; L232-V236 PolarHBondContact O-N 3.29Å
233	L	98.7	Very high	98.4	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-67.9	-33.2	-175.6	-69.7	174.9	0	0	0	111.8	L217 M229 A230 A235 S237 V247 A263 M266 I268	L217-L233 HydrophobicContact CD1-CD2 3.73Å; M229-L233 HydrophobicContact CG-CD1 3.92Å; M229-L233 HydrophobicContact CG-CG 4.43Å; M229-L233 WeakPolarHBondContact O-CB 3.49Å; M229-L233 WeakPolarHBondContact O-CG 3.5Å; M229-L233 PolarHBondContact O-N 2.92Å; M229-L233 HydrophobicContact SD-CD1 3.72Å; M229-L233 HydrophobicContact SD-CD2 4.38Å; M229-L233 HydrophobicContact SD-CG 3.82Å; A230-L233 PolarHBondContact O-N 3.4Å; L233-A235 VanDerWaalsContact C-N 3.35Å; L233-S237 WeakPolarHBondContact O-CB 3.47Å; L233-S237 PolarHBondContact O-N 2.88Å; L233-S237 PolarHBondContact O-OG 2.93Å; L233-V247 HydrophobicContact CD2-CG1 4.29Å; L233-A263 HydrophobicContact CD1-CB 3.75Å; L233-M266 HydrophobicContact CB-CE 3.57Å; L233-M266 HydrophobicContact CB-SD 3.68Å; L233-M266 HydrophobicContact CD1-CB 4.31Å; L233-M266 HydrophobicContact CD1-SD 3.77Å; L233-M266 HydrophobicContact CG-SD 4.35Å; L233-I268 HydrophobicContact CD1-CG1 4.07Å; L233-I268 HydrophobicContact CD2-CD1 4.03Å; L233-I268 HydrophobicContact CD2-CG1 4.06Å
234	E	98.5	Very high	98.5	Very high	101 Å²	101	45.8 Å²	45.8	47%	0.472	26%	0.257	S	S	.	.	H	α-helix	trans	-61.4	-41.8	171.6	-77.7	-175.7	-171	0	0	112.3	A230 L232 S237 R238 M266	A230-E234 WeakPolarHBondContact O-CG 3.28Å; A230-E234 PolarHBondContact O-N 3.24Å; L232-E234 VanDerWaalsContact C-N 3.32Å; L232-E234 PolarHBondContact O-N 3.25Å; E234-S237 PolarHBondContact O-OG 3.37Å; E234-R238 WeakPolarHBondContact O-CG 3.29Å; E234-R238 PolarHBondContact O-NE 3.24Å; E234-M266 HydrophobicContact CB-CE 4.47Å; E234-M266 HydrophobicContact CG-CE 3.64Å
235	A	98.7	Very high	98.5	Very high	6 Å²	6	45.7 Å²	45.7	5%	0.05	26%	0.256	C	S	.	.	H	α-helix	trans	-69.3	-48.5	178.2	0	0	0	0	0	111.5	P197 E231 L232 L233 S237 R238	P197-A235 HydrophobicContact CB-CB 3.57Å; E231-A235 PolarHBondContact O-N 3.45Å; E231-A235 VanDerWaalsContact O-N 3.14Å; L232-A235 PolarHBondContact O-N 2.99Å; L233-A235 VanDerWaalsContact C-N 3.35Å; A235-S237 PolarHBondContact O-N 3.09Å; A235-R238 PolarHBondContact O-N 3.23Å
236	V	98.8	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68	-38	-176.1	-179.5	0	0	0	0	111.8	V200 A201 A204 L217 L232 R238 E239 V240 L245	V200-V236 HydrophobicContact CB-CG2 4.44Å; V200-V236 HydrophobicContact CG1-CG2 4.1Å; A201-V236 HydrophobicContact CB-CG2 4.19Å; A204-V236 HydrophobicContact CB-CG1 3.92Å; L217-V236 HydrophobicContact CD1-CB 4.37Å; L217-V236 HydrophobicContact CD1-CG1 4.2Å; L217-V236 HydrophobicContact CD1-CG2 4.22Å; L217-V236 HydrophobicContact CD2-CG1 4.46Å; L217-V236 HydrophobicContact CD2-CG2 4.46Å; L232-V236 HydrophobicContact CD1-CG2 3.82Å; L232-V236 HydrophobicContact CG-CG2 4.47Å; L232-V236 WeakPolarHBondContact O-CG2 3.2Å; L232-V236 PolarHBondContact O-N 3.29Å; V236-R238 PolarHBondContact O-N 3.16Å; V236-R238 VanDerWaalsContact O-N 3.17Å; V236-E239 PolarHBondContact O-N 2.76Å; V236-V240 HydrophobicContact CG1-CB 4.35Å; V236-V240 HydrophobicContact CG1-CG2 4.45Å; V236-V240 PolarHBondContact O-N 3.28Å; V236-L245 HydrophobicContact CG1-CD1 3.9Å; V236-L245 HydrophobicContact CG1-CD2 3.68Å; V236-L245 HydrophobicContact CG1-CG 4.46Å
237	S	98.2	Very high	98.5	Very high	50 Å²	50	40.1 Å²	40.1	35%	0.35	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.9	-178.9	60.6	0	0	0	0	114.7	L233 E234 A235 E239 V240	L233-S237 WeakPolarHBondContact O-CB 3.47Å; L233-S237 PolarHBondContact O-N 2.88Å; L233-S237 PolarHBondContact O-OG 2.93Å; E234-S237 PolarHBondContact O-OG 3.37Å; A235-S237 PolarHBondContact O-N 3.09Å; S237-E239 VanDerWaalsContact C-N 3.3Å; S237-V240 WeakPolarHBondContact CA-O 3.48Å
238	R	98.3	Very high	98.6	Very high	170 Å²	170	38.8 Å²	38.8	64%	0.642	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-23.8	169.1	-65.9	166.7	-166	166.5	5.4	112.4	E234 A235 V236	E234-R238 WeakPolarHBondContact O-CG 3.29Å; E234-R238 PolarHBondContact O-NE 3.24Å; A235-R238 PolarHBondContact O-N 3.23Å; V236-R238 PolarHBondContact O-N 3.16Å; V236-R238 VanDerWaalsContact O-N 3.17Å
239	E	98.3	Very high	98.6	Very high	86 Å²	86	37.8 Å²	37.8	40%	0.402	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-28.9	-171.2	-59.9	-64.6	169.7	0	0	113.1	A201 K205 V236 S237	A201-E239 HydrophobicContact CB-CG 4.23Å; K205-E239 HydrophobicContact CB-CB 4.08Å; K205-E239 HydrophobicContact CD-CB 4.22Å; K205-E239 HydrophobicContact CD-CG 4.45Å; K205-E239 VanDerWaalsContact CD-OE2 3.29Å; K205-E239 WeakPolarHBondContact CD-OE2 3.35Å; K205-E239 VanDerWaalsContact CE-OE2 3.27Å; K205-E239 WeakPolarHBondContact CE-OE2 3.37Å; K205-E239 HydrophobicContact CG-CB 4.32Å; K205-E239 IonicContact NZ-OE2 2.67Å; K205-E239 PolarHBondContact NZ-OE2 3.27Å; V236-E239 PolarHBondContact O-N 2.76Å; S237-E239 VanDerWaalsContact C-N 3.3Å
240	V	98.6	Very high	98.5	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	20%	0.195	C	C	.	.	S	Bend	trans	-126.5	131.9	-179.2	-177.1	0	0	0	0	109.5	A204 Y208 I215 V236 S237 A244 L245	A204-V240 HydrophobicContact CB-CG2 4.14Å; Y208-V240 HydrophobicContact CD1-CG1 4.48Å; Y208-V240 HydrophobicContact CD2-CG1 4.01Å; Y208-V240 HydrophobicContact CG-CG1 3.99Å; Y208-V240 HydrophobicContact CG-CG2 4.48Å; I215-V240 HydrophobicContact CG1-CG1 4.49Å; V236-V240 HydrophobicContact CG1-CB 4.35Å; V236-V240 HydrophobicContact CG1-CG2 4.45Å; V236-V240 PolarHBondContact O-N 3.28Å; S237-V240 WeakPolarHBondContact CA-O 3.48Å; V240-A244 HydrophobicContact CG1-CB 4.13Å; V240-L245 HydrophobicContact CB-CD2 3.96Å; V240-L245 HydrophobicContact CB-CG 4.42Å; V240-L245 HydrophobicContact CG1-CD2 3.64Å; V240-L245 HydrophobicContact CG1-CG 4.07Å
241	P	98.4	Very high	98.5	Very high	51 Å²	51	39.2 Å²	39.2	33%	0.331	20%	0.197	S	C	.	.			trans	-55.5	138.5	176.1	-27.4	37.2	0	0	0	112.8	Y208 D243 A244	Y208-P241 HydrophobicContact CE1-CG 4.27Å; P241-D243 WeakPolarHBondContact CB-OD1 3.4Å; P241-D243 PolarHBondContact O-N 3.4Å; P241-A244 HydrophobicContact CB-CB 4.48Å; P241-A244 WeakPolarHBondContact O-CA 3.36Å; P241-A244 WeakPolarHBondContact O-CB 3.38Å; P241-A244 PolarHBondContact O-N 3.22Å
242	V	98.1	Very high	98.3	Very high	41 Å²	41	35 Å²	35	25%	0.248	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-60.1	-33	-176.4	174.6	0	0	0	0	112.5	A244 L245 G267 I268	V242-A244 PolarHBondContact O-N 2.99Å; V242-L245 PolarHBondContact O-N 3.34Å; V242-G267 WeakPolarHBondContact CG1-O 3.26Å; V242-I268 HydrophobicContact CG1-CD1 4.12Å
243	D	97.8	Very high	98.2	Very high	128 Å²	128	42 Å²	42	68%	0.684	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-71.2	-14.3	176.4	61.1	-24	0	0	0	113.8	P241	P241-D243 WeakPolarHBondContact CB-OD1 3.4Å; P241-D243 PolarHBondContact O-N 3.4Å
244	A	98.6	Very high	98.1	Very high	6 Å²	6	44.2 Å²	44.2	5%	0.05	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-98.8	8.8	171.7	0	0	0	0	0	113	Y208 E214 I215 V240 P241 V242	Y208-A244 HydrophobicContact CD2-CB 4.06Å; Y208-A244 HydrophobicContact CE2-CB 3.58Å; E214-A244 CarbonylContact C-O 3.51Å; E214-A244 VanDerWaalsContact CA-O 3.28Å; E214-A244 WeakPolarHBondContact CA-O 3.38Å; I215-A244 PolarHBondContact N-O 3.26Å; V240-A244 HydrophobicContact CG1-CB 4.13Å; P241-A244 HydrophobicContact CB-CB 4.48Å; P241-A244 WeakPolarHBondContact O-CA 3.36Å; P241-A244 WeakPolarHBondContact O-CB 3.38Å; P241-A244 PolarHBondContact O-N 3.22Å; V242-A244 PolarHBondContact O-N 2.99Å
245	L	98.9	Very high	98.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.4	179.8	-65.6	177.4	0	0	0	111.9	I215 L217 V236 V240 V242 I268	I215-L245 HydrophobicContact CB-CD2 4.19Å; L217-L245 HydrophobicContact CD1-CD2 4.39Å; V236-L245 HydrophobicContact CG1-CD1 3.9Å; V236-L245 HydrophobicContact CG1-CD2 3.68Å; V236-L245 HydrophobicContact CG1-CG 4.46Å; V240-L245 HydrophobicContact CB-CD2 3.96Å; V240-L245 HydrophobicContact CB-CG 4.42Å; V240-L245 HydrophobicContact CG1-CD2 3.64Å; V240-L245 HydrophobicContact CG1-CG 4.07Å; V242-L245 PolarHBondContact O-N 3.34Å; L245-I268 HydrophobicContact CB-CD1 3.48Å; L245-I268 VanDerWaalsContact CB-CD1 3.48Å; L245-I268 HydrophobicContact CD1-CD1 4.14Å; L245-I268 HydrophobicContact CG-CD1 4.47Å
246	A	98.9	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	159.8	170.9	0	0	0	0	0	110.1	R180 E214 I215 L217 V270	R180-A246 VanDerWaalsContact NH2-CB 3.32Å; E214-A246 HydrophobicContact CG-CB 4.19Å; I215-A246 PolarHBondContact O-N 2.82Å; L217-A246 PolarHBondContact N-O 3.26Å; A246-V270 WeakPolarHBondContact CA-O 3.29Å; A246-V270 HydrophobicContact CB-CB 3.67Å; A246-V270 HydrophobicContact CB-CG1 3.63Å
247	V	98.9	Very high	98.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.7	173.2	-69.1	0	0	0	0	111.4	M229 L233 I260 A263 I268 V270 V271 D272	M229-V247 HydrophobicContact CE-CG1 4.19Å; M229-V247 HydrophobicContact SD-CG1 4.24Å; L233-V247 HydrophobicContact CD2-CG1 4.29Å; V247-I260 HydrophobicContact CG2-CG1 4.32Å; V247-A263 HydrophobicContact CB-CB 4.37Å; V247-A263 HydrophobicContact CG1-CB 3.72Å; V247-A263 HydrophobicContact CG2-CB 3.84Å; V247-I268 HydrophobicContact CG1-CG2 4.31Å; V247-I268 HydrophobicContact CG2-CG2 4.31Å; V247-V270 PolarHBondContact N-O 3.49Å; V247-V270 VanDerWaalsContact N-O 3.13Å; V247-V271 HydrophobicContact CG2-CG2 4.07Å; V247-D272 PolarHBondContact O-N 2.96Å
248	H	98.8	Very high	98.1	Very high	13 Å²	13	44 Å²	44	6%	0.06	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	105.2	176.4	175.2	102.2	0	0	0	108.2	D57 S216 L217 G218 D219 H250 D272 N290	D57-H248 IonicContact OD2-CE1 3.74Å; S216-H248 WeakPolarHBondContact OG-CB 3.5Å; L217-H248 PolarHBondContact O-N 3.44Å; G218-H248 CarbonylContact C-O 3.53Å; G218-H248 VanDerWaalsContact CA-O 3.29Å; G218-H248 WeakPolarHBondContact CA-O 3.37Å; D219-H248 PolarHBondContact N-O 2.91Å; H248-H250 AromaticContact CD2-CD2 3.95Å; H248-H250 AromaticContact NE2-CD2 3.4Å; H248-H250 PolarHBondContact NE2-CD2 3.01Å; H248-H250 AromaticContact NE2-NE2 3.27Å; H248-H250 PolarHBondContact NE2-NE2 3.12Å; H248-D272 HydrophobicContact CB-CB 3.77Å; H248-D272 VanDerWaalsContact ND1-CB 3.34Å; H248-D272 WeakPolarHBondContact ND1-CB 3.34Å; H248-D272 IonicContact ND1-OD2 2.9Å; H248-N290 PolarHBondContact CE1-OD1 2.96Å; H248-N290 PolarHBondContact NE2-OD1 3.07Å
249	C	98.6	Very high	98.1	Very high	1 Å²	1	36 Å²	36	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.5	-174.2	-62.4	0	0	0	0	110.2	A256 I260 V291	C249-A256 HydrophobicContact CB-CB 3.78Å; C249-I260 HydrophobicContact CB-CD1 4.39Å; C249-I260 HydrophobicContact CB-CG1 4.32Å; C249-V291 PolarHBondContact O-N 2.94Å
250	H	97.9	Very high	98.2	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.046	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-77.5	146.4	164.5	-77.6	-161.3	0	0	0	110.6	D219 T220 G222 H248 G289 N290	D219-H250 WeakPolarHBondContact O-CB 3.36Å; D219-H250 PolarHBondContact O-N 2.93Å; T220-H250 PolarHBondContact O-CE1 3.16Å; T220-H250 VanDerWaalsContact O-CE1 3.29Å; T220-H250 PolarHBondContact O-ND1 3.4Å; G222-H250 WeakPolarHBondContact CA-O 3.33Å; H248-H250 AromaticContact CD2-CD2 3.95Å; H248-H250 AromaticContact NE2-CD2 3.4Å; H248-H250 PolarHBondContact NE2-CD2 3.01Å; H248-H250 AromaticContact NE2-NE2 3.27Å; H248-H250 PolarHBondContact NE2-NE2 3.12Å; H250-G289 CarbonylContact C-O 3.53Å; H250-G289 WeakPolarHBondContact CA-O 3.37Å; H250-G289 VanDerWaalsContact CB-O 3.25Å; H250-G289 WeakPolarHBondContact CB-O 3.25Å; H250-N290 PolarHBondContact CD2-OD1 3.36Å; H250-N290 PolarHBondContact NE2-OD1 3.34Å
251	D	97.3	Very high	98.2	Very high	47 Å²	47	34.6 Å²	34.6	25%	0.251	20%	0.195	S	C	.	.			trans	-100.8	23.4	179.8	-156.8	44	0	0	0	112.8	Y253 G254 Q255 A256 S288 G289	D251-Y253 PolarHBondContact O-N 3.49Å; D251-Y253 VanDerWaalsContact O-N 3.13Å; D251-G254 PolarHBondContact O-N 3.27Å; D251-G254 VanDerWaalsContact O-N 3.09Å; D251-G254 WeakPolarHBondContact OD1-CA 3.41Å; D251-Q255 PolarHBondContact OD1-N 3.29Å; D251-A256 HydrophobicContact CB-CB 3.7Å; D251-A256 WeakPolarHBondContact OD1-CB 3.45Å; D251-A256 PolarHBondContact OD1-N 3.12Å; D251-S288 VanDerWaalsContact C-OG 3.3Å; D251-S288 PolarHBondContact O-OG 3.28Å; D251-G289 PolarHBondContact N-O 3.03Å
252	T	95.2	Very high	98.2	Very high	18 Å²	18	33.7 Å²	33.7	11%	0.11	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-39	179.4	-43.5	0	0	0	0	112.7	I221 C281 A284 A287 S288	I221-T252 WeakPolarHBondContact O-CB 3.19Å; I221-T252 PolarHBondContact O-OG1 2.84Å; T252-C281 HydrophobicContact CG2-CB 4.3Å; T252-A284 HydrophobicContact CG2-CB 3.66Å; T252-A287 HydrophobicContact CG2-CB 3.5Å; T252-S288 WeakPolarHBondContact CA-O 3.36Å; T252-S288 WeakPolarHBondContact CA-OG 3.49Å; T252-S288 PolarHBondContact OG1-O 2.96Å
253	Y	96.3	Very high	98.2	Very high	148 Å²	148	31.8 Å²	31.8	58%	0.58	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.9	19.9	-179.4	-66	-94.1	0	0	0	113.1	G222 V223 D251 Q255	G222-Y253 WeakPolarHBondContact O-CB 3.36Å; G222-Y253 WeakPolarHBondContact O-CD2 3.35Å; V223-Y253 HydrophobicContact CG1-CD2 4.02Å; V223-Y253 HydrophobicContact CG1-CE2 3.69Å; D251-Y253 PolarHBondContact O-N 3.49Å; D251-Y253 VanDerWaalsContact O-N 3.13Å; Y253-Q255 VanDerWaalsContact C-N 3.27Å; Y253-Q255 PolarHBondContact O-N 3.4Å; Y253-Q255 PolarHBondContact O-NE2 3.34Å
254	G	96.8	Very high	98.3	Very high	50 Å²	50	25.7 Å²	25.7	52%	0.515	14%	0.142	S	C	.	.	S	Bend	trans	68.4	22.9	177.6	0	0	0	0	0	114.4	D251	D251-G254 PolarHBondContact O-N 3.27Å; D251-G254 VanDerWaalsContact O-N 3.09Å; D251-G254 WeakPolarHBondContact OD1-CA 3.41Å
255	Q	98.3	Very high	98.3	Very high	59 Å²	59	29.9 Å²	29.9	28%	0.276	16%	0.161	S	C	.	.			trans	-100.3	-9	-175.3	-57.8	-54.1	-65.8	0	0	113.3	G224 D251 Y253 L257 A258 N259	G224-Q255 WeakPolarHBondContact O-CB 3.38Å; G224-Q255 WeakPolarHBondContact O-CG 3.43Å; D251-Q255 PolarHBondContact OD1-N 3.29Å; Y253-Q255 VanDerWaalsContact C-N 3.27Å; Y253-Q255 PolarHBondContact O-N 3.4Å; Y253-Q255 PolarHBondContact O-NE2 3.34Å; Q255-L257 PolarHBondContact O-N 3.11Å; Q255-A258 PolarHBondContact O-N 2.84Å; Q255-N259 WeakPolarHBondContact O-CB 3.33Å; Q255-N259 VanDerWaalsContact O-CG 3.3Å; Q255-N259 PolarHBondContact O-N 3.25Å; Q255-N259 PolarHBondContact O-ND2 3.38Å
256	A	98.5	Very high	98.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-49.7	-164	0	0	0	0	0	113	C249 D251 A258 N259 I260 V291	C249-A256 HydrophobicContact CB-CB 3.78Å; D251-A256 HydrophobicContact CB-CB 3.7Å; D251-A256 WeakPolarHBondContact OD1-CB 3.45Å; D251-A256 PolarHBondContact OD1-N 3.12Å; A256-A258 VanDerWaalsContact C-N 3.31Å; A256-A258 PolarHBondContact O-N 3.3Å; A256-N259 PolarHBondContact O-N 3.01Å; A256-I260 WeakPolarHBondContact O-CB 3.21Å; A256-I260 WeakPolarHBondContact O-CD1 3.4Å; A256-I260 VanDerWaalsContact O-CG1 3.23Å; A256-I260 WeakPolarHBondContact O-CG1 3.42Å; A256-I260 PolarHBondContact O-N 2.74Å; A256-V291 HydrophobicContact CB-CB 3.63Å; A256-V291 HydrophobicContact CB-CG2 3.67Å
257	L	98.8	Very high	98.2	Very high	55 Å²	55	33 Å²	33	29%	0.288	18%	0.182	S	C	.	.	H	α-helix	trans	-64.4	-35.2	178.6	-70.3	-177.9	0	0	0	112.6	Q255 I260 L261 V291 D295 V296 M299	Q255-L257 PolarHBondContact O-N 3.11Å; L257-I260 HydrophobicContact CD2-CD1 4.5Å; L257-I260 PolarHBondContact O-N 3.45Å; L257-L261 WeakPolarHBondContact O-CB 3.44Å; L257-L261 PolarHBondContact O-N 3.02Å; L257-V291 HydrophobicContact CD2-CG2 4.05Å; L257-V291 HydrophobicContact CG-CG2 4.29Å; L257-D295 HydrophobicContact CD1-CB 4.24Å; L257-V296 HydrophobicContact CD2-CB 4.42Å; L257-V296 HydrophobicContact CD2-CG2 3.77Å; L257-M299 HydrophobicContact CB-SD 4.36Å; L257-M299 HydrophobicContact CD2-CE 4.13Å; L257-M299 HydrophobicContact CD2-SD 4.28Å
258	A	98.8	Very high	98.2	Very high	39 Å²	39	33.1 Å²	33.1	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-65.9	-43.6	176.6	0	0	0	0	0	111.2	P226 Q255 A256 L261 I262	P226-A258 HydrophobicContact CG-CB 3.96Å; Q255-A258 PolarHBondContact O-N 2.84Å; A256-A258 VanDerWaalsContact C-N 3.31Å; A256-A258 PolarHBondContact O-N 3.3Å; A258-L261 PolarHBondContact O-N 3.1Å; A258-I262 PolarHBondContact O-N 3.37Å
259	N	98.9	Very high	98.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-40.2	176.1	-69.1	-18.2	0	0	0	111.8	G224 T225 P226 M229 Q255 A256 L261 I262 A263	G224-N259 VanDerWaalsContact C-ND2 3.32Å; G224-N259 PolarHBondContact O-ND2 3.49Å; T225-N259 WeakPolarHBondContact CA-OD1 3.33Å; T225-N259 PolarHBondContact O-OD1 3.38Å; P226-N259 WeakPolarHBondContact CD-OD1 3.38Å; M229-N259 HydrophobicContact CB-CB 4.39Å; M229-N259 HydrophobicContact CE-CB 3.88Å; M229-N259 HydrophobicContact CG-CB 4.4Å; Q255-N259 WeakPolarHBondContact O-CB 3.33Å; Q255-N259 VanDerWaalsContact O-CG 3.3Å; Q255-N259 PolarHBondContact O-N 3.25Å; Q255-N259 PolarHBondContact O-ND2 3.38Å; A256-N259 PolarHBondContact O-N 3.01Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-L261 PolarHBondContact O-N 3.18Å; N259-I262 PolarHBondContact O-N 3.37Å; N259-A263 PolarHBondContact O-N 3.07Å
260	I	98.9	Very high	98.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-42.5	174.3	-69.7	161.8	0	0	0	110.5	V247 C249 A256 L257 I262 A263 L264 V271 V291 V296 M299	V247-I260 HydrophobicContact CG2-CG1 4.32Å; C249-I260 HydrophobicContact CB-CD1 4.39Å; C249-I260 HydrophobicContact CB-CG1 4.32Å; A256-I260 WeakPolarHBondContact O-CB 3.21Å; A256-I260 WeakPolarHBondContact O-CD1 3.4Å; A256-I260 VanDerWaalsContact O-CG1 3.23Å; A256-I260 WeakPolarHBondContact O-CG1 3.42Å; A256-I260 PolarHBondContact O-N 2.74Å; L257-I260 HydrophobicContact CD2-CD1 4.5Å; L257-I260 PolarHBondContact O-N 3.45Å; I260-I262 VanDerWaalsContact C-N 3.31Å; I260-I262 PolarHBondContact O-N 3.41Å; I260-A263 WeakPolarHBondContact O-CA 3.48Å; I260-A263 WeakPolarHBondContact O-CB 3.39Å; I260-A263 PolarHBondContact O-N 3.35Å; I260-A263 VanDerWaalsContact O-N 3.08Å; I260-L264 HydrophobicContact CG2-CD1 4.11Å; I260-L264 HydrophobicContact CG2-CG 4.23Å; I260-L264 VanDerWaalsContact O-CG 3.3Å; I260-L264 WeakPolarHBondContact O-CG 3.41Å; I260-L264 PolarHBondContact O-N 3.27Å; I260-V271 HydrophobicContact CD1-CG1 3.72Å; I260-V271 HydrophobicContact CG1-CG1 4.01Å; I260-V271 HydrophobicContact CG2-CG1 4.11Å; I260-V271 HydrophobicContact CG2-CG2 3.88Å; I260-V291 HydrophobicContact CD1-CG1 3.98Å; I260-V291 HydrophobicContact CD1-CG2 4.4Å; I260-V296 HydrophobicContact CD1-CG2 4.06Å; I260-M299 HydrophobicContact CB-CE 4.43Å; I260-M299 HydrophobicContact CG2-CE 3.8Å
261	L	98.8	Very high	98.2	Very high	59 Å²	59	34.1 Å²	34.1	31%	0.309	19%	0.192	S	C	.	.	H	α-helix	trans	-58.7	-43	177	-179.8	62.9	0	0	0	112	L257 A258 N259 L264 Q265 L303	L257-L261 WeakPolarHBondContact O-CB 3.44Å; L257-L261 PolarHBondContact O-N 3.02Å; A258-L261 PolarHBondContact O-N 3.1Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-L261 PolarHBondContact O-N 3.18Å; L261-L264 PolarHBondContact O-N 2.79Å; L261-Q265 VanDerWaalsContact O-CG 3.32Å; L261-Q265 WeakPolarHBondContact O-CG 3.33Å; L261-Q265 PolarHBondContact O-N 3.04Å; L261-L303 HydrophobicContact CD1-CD1 4.18Å
262	I	98.7	Very high	98.3	Very high	33 Å²	33	31.9 Å²	31.9	17%	0.169	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-45.9	172.9	-64.4	-51.1	0	0	0	110.9	P226 M229 A230 A258 N259 I260 L264 Q265 M266	P226-I262 HydrophobicContact CB-CD1 4.14Å; P226-I262 HydrophobicContact CB-CG1 3.62Å; P226-I262 HydrophobicContact CG-CG1 4.45Å; M229-I262 HydrophobicContact CB-CG2 4.29Å; M229-I262 HydrophobicContact CG-CB 4.23Å; M229-I262 HydrophobicContact CG-CG2 4.04Å; A230-I262 HydrophobicContact CB-CG2 3.97Å; A258-I262 PolarHBondContact O-N 3.37Å; N259-I262 PolarHBondContact O-N 3.37Å; I260-I262 VanDerWaalsContact C-N 3.31Å; I260-I262 PolarHBondContact O-N 3.41Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 2.97Å; I262-Q265 WeakPolarHBondContact O-CB 3.47Å; I262-Q265 PolarHBondContact O-N 2.85Å; I262-Q265 VanDerWaalsContact O-N 3.16Å; I262-M266 HydrophobicContact CG2-CG 4.48Å; I262-M266 HydrophobicContact CG2-SD 3.96Å; I262-M266 WeakPolarHBondContact O-CG 3.47Å; I262-M266 PolarHBondContact O-N 2.92Å
263	A	98.8	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.2	-43.7	178.2	0	0	0	0	0	112.3	L233 V247 N259 I260 M266 G267 I268	L233-A263 HydrophobicContact CD1-CB 3.75Å; V247-A263 HydrophobicContact CB-CB 4.37Å; V247-A263 HydrophobicContact CG1-CB 3.72Å; V247-A263 HydrophobicContact CG2-CB 3.84Å; N259-A263 PolarHBondContact O-N 3.07Å; I260-A263 WeakPolarHBondContact O-CA 3.48Å; I260-A263 WeakPolarHBondContact O-CB 3.39Å; I260-A263 PolarHBondContact O-N 3.35Å; I260-A263 VanDerWaalsContact O-N 3.08Å; A263-M266 CarbonylContact O-C 3.56Å; A263-M266 PolarHBondContact O-N 3.24Å; A263-M266 VanDerWaalsContact O-N 3.15Å; A263-G267 PolarHBondContact O-N 3.09Å; A263-I268 HydrophobicContact CB-CB 4.01Å; A263-I268 HydrophobicContact CB-CG1 4.04Å; A263-I268 HydrophobicContact CB-CG2 4.46Å; A263-I268 VanDerWaalsContact O-CB 3.28Å; A263-I268 WeakPolarHBondContact O-CB 3.46Å; A263-I268 WeakPolarHBondContact O-CG1 3.11Å; A263-I268 PolarHBondContact O-N 3.49Å
264	L	98.8	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-44.2	175.4	-64.7	172	0	0	0	111.8	L44 P45 V48 I260 L261 I262 M266 G267 I268 M299 L300 I305	L44-L264 HydrophobicContact CD2-CB 3.92Å; P45-L264 WeakPolarHBondContact CD-O 3.5Å; P45-L264 HydrophobicContact CG-CD2 3.87Å; V48-L264 HydrophobicContact CG2-CD2 3.47Å; V48-L264 VanDerWaalsContact CG2-CD2 3.47Å; I260-L264 HydrophobicContact CG2-CD1 4.11Å; I260-L264 HydrophobicContact CG2-CG 4.23Å; I260-L264 VanDerWaalsContact O-CG 3.3Å; I260-L264 WeakPolarHBondContact O-CG 3.41Å; I260-L264 PolarHBondContact O-N 3.27Å; L261-L264 PolarHBondContact O-N 2.79Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 2.97Å; L264-M266 PolarHBondContact O-N 2.97Å; L264-G267 PolarHBondContact O-N 3.3Å; L264-I268 WeakPolarHBondContact CD2-O 3.26Å; L264-M299 HydrophobicContact CD1-CE 4.02Å; L264-L300 HydrophobicContact CD1-CD2 3.62Å; L264-L300 HydrophobicContact CD2-CD2 4.27Å; L264-I305 HydrophobicContact CD1-CD1 4.37Å
265	Q	98.4	Very high	98.7	Very high	95 Å²	95	21.6 Å²	21.6	44%	0.444	12%	0.123	S	C	.	.	H	α-helix	trans	-62.3	-26.5	176.2	-72.9	174.9	-21.9	0	0	112.6	L44 L261 I262 G267	L44-Q265 HydrophobicContact CD2-CG 3.9Å; L261-Q265 VanDerWaalsContact O-CG 3.32Å; L261-Q265 WeakPolarHBondContact O-CG 3.33Å; L261-Q265 PolarHBondContact O-N 3.04Å; I262-Q265 WeakPolarHBondContact O-CB 3.47Å; I262-Q265 PolarHBondContact O-N 2.85Å; I262-Q265 VanDerWaalsContact O-N 3.16Å; Q265-G267 VanDerWaalsContact C-N 3.32Å
266	M	98.1	Very high	98.6	Very high	42 Å²	42	18.8 Å²	18.8	21%	0.207	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.6	175.7	-65.3	-176.7	76.7	0	0	113.6	A230 L233 E234 I262 A263 L264	A230-M266 HydrophobicContact CB-SD 4.11Å; A230-M266 WeakPolarHBondContact O-CE 3.38Å; L233-M266 HydrophobicContact CB-CE 3.57Å; L233-M266 HydrophobicContact CB-SD 3.68Å; L233-M266 HydrophobicContact CD1-CB 4.31Å; L233-M266 HydrophobicContact CD1-SD 3.77Å; L233-M266 HydrophobicContact CG-SD 4.35Å; E234-M266 HydrophobicContact CB-CE 4.47Å; E234-M266 HydrophobicContact CG-CE 3.64Å; I262-M266 HydrophobicContact CG2-CG 4.48Å; I262-M266 HydrophobicContact CG2-SD 3.96Å; I262-M266 WeakPolarHBondContact O-CG 3.47Å; I262-M266 PolarHBondContact O-N 2.92Å; A263-M266 CarbonylContact O-C 3.56Å; A263-M266 PolarHBondContact O-N 3.24Å; A263-M266 VanDerWaalsContact O-N 3.15Å; L264-M266 PolarHBondContact O-N 2.97Å
267	G	97.9	Very high	98.5	Very high	23 Å²	23	18.9 Å²	18.9	24%	0.237	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	4.8	175.2	0	0	0	0	0	114.9	V242 A263 L264 Q265 S269	V242-G267 WeakPolarHBondContact CG1-O 3.26Å; A263-G267 PolarHBondContact O-N 3.09Å; L264-G267 PolarHBondContact O-N 3.3Å; Q265-G267 VanDerWaalsContact C-N 3.32Å; G267-S269 PolarHBondContact O-N 3.02Å
268	I	98.6	Very high	98.4	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.015	10%	0.097	C	C	.	.			trans	-63.9	132.4	171.1	-56.4	-66	0	0	0	108.3	L233 V242 L245 V247 A263 L264 V270	L233-I268 HydrophobicContact CD1-CG1 4.07Å; L233-I268 HydrophobicContact CD2-CD1 4.03Å; L233-I268 HydrophobicContact CD2-CG1 4.06Å; V242-I268 HydrophobicContact CG1-CD1 4.12Å; L245-I268 HydrophobicContact CB-CD1 3.48Å; L245-I268 VanDerWaalsContact CB-CD1 3.48Å; L245-I268 HydrophobicContact CD1-CD1 4.14Å; L245-I268 HydrophobicContact CG-CD1 4.47Å; V247-I268 HydrophobicContact CG1-CG2 4.31Å; V247-I268 HydrophobicContact CG2-CG2 4.31Å; A263-I268 HydrophobicContact CB-CB 4.01Å; A263-I268 HydrophobicContact CB-CG1 4.04Å; A263-I268 HydrophobicContact CB-CG2 4.46Å; A263-I268 VanDerWaalsContact O-CB 3.28Å; A263-I268 WeakPolarHBondContact O-CB 3.46Å; A263-I268 WeakPolarHBondContact O-CG1 3.11Å; A263-I268 PolarHBondContact O-N 3.49Å; L264-I268 WeakPolarHBondContact CD2-O 3.26Å; I268-V270 WeakPolarHBondContact CG2-O 3.13Å
269	S	98.7	Very high	97.8	Very high	37 Å²	37	14.7 Å²	14.7	26%	0.259	8%	0.084	S	C	.	.			trans	-124.1	14	-176.6	58.1	0	0	0	0	113.1	V48 K49 G267	V48-S269 CarbonylContact C-O 3.56Å; V48-S269 VanDerWaalsContact CA-O 3.29Å; V48-S269 WeakPolarHBondContact CA-O 3.29Å; K49-S269 PolarHBondContact N-O 3.46Å; G267-S269 PolarHBondContact O-N 3.02Å
270	V	98.9	Very high	97.1	Very high	7 Å²	7	15.5 Å²	15.5	4%	0.042	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.7	177.9	-171.2	0	0	0	0	110.2	K49 V51 A246 V247 I268	K49-V270 HydrophobicContact CB-CG1 4.39Å; K49-V270 HydrophobicContact CB-CG2 4.21Å; K49-V270 WeakPolarHBondContact O-CA 3.36Å; V51-V270 HydrophobicContact CG2-CG1 3.85Å; A246-V270 WeakPolarHBondContact CA-O 3.29Å; A246-V270 HydrophobicContact CB-CB 3.67Å; A246-V270 HydrophobicContact CB-CG1 3.63Å; V247-V270 PolarHBondContact N-O 3.49Å; V247-V270 VanDerWaalsContact N-O 3.13Å; I268-V270 WeakPolarHBondContact CG2-O 3.13Å
271	V	98.9	Very high	96	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.2	-175.4	-179.5	0	0	0	0	109.6	V48 K49 I50 V51 V247 I260 V296	V48-V271 HydrophobicContact CG1-CB 4.42Å; V48-V271 HydrophobicContact CG1-CG2 4Å; K49-V271 PolarHBondContact O-N 3.19Å; I50-V271 WeakPolarHBondContact CA-O 3.16Å; V51-V271 PolarHBondContact N-O 3.06Å; V247-V271 HydrophobicContact CG2-CG2 4.07Å; I260-V271 HydrophobicContact CD1-CG1 3.72Å; I260-V271 HydrophobicContact CG1-CG1 4.01Å; I260-V271 HydrophobicContact CG2-CG1 4.11Å; I260-V271 HydrophobicContact CG2-CG2 3.88Å; V271-V296 HydrophobicContact CG1-CG1 4.16Å
272	D	98.9	Very high	94.9	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135.6	171.9	-61.9	3.4	0	0	0	109.7	V51 V53 R180 Y182 S216 V247 H248	V51-D272 WeakPolarHBondContact CB-OD1 3.48Å; V51-D272 WeakPolarHBondContact O-CA 3.49Å; V53-D272 HydrophobicContact CG1-CB 4.28Å; R180-D272 IonicContact CZ-OD1 3.81Å; R180-D272 VanDerWaalsContact CZ-OD1 3.29Å; R180-D272 IonicContact CZ-OD2 2.61Å; R180-D272 VanDerWaalsContact NH1-CG 3.29Å; R180-D272 IonicContact NH1-OD1 3.17Å; R180-D272 PolarHBondContact NH1-OD1 2.73Å; R180-D272 IonicContact NH1-OD2 3.29Å; R180-D272 PolarHBondContact NH1-OD2 3.19Å; R180-D272 IonicContact NH2-OD1 2.75Å; R180-D272 PolarHBondContact NH2-OD1 3.37Å; R180-D272 IonicContact NH2-OD2 3Å; Y182-D272 WeakPolarHBondContact CE1-OD2 3.32Å; S216-D272 PolarHBondContact OG-OD2 3.44Å; V247-D272 PolarHBondContact O-N 2.96Å; H248-D272 HydrophobicContact CB-CB 3.77Å; H248-D272 VanDerWaalsContact ND1-CB 3.34Å; H248-D272 WeakPolarHBondContact ND1-CB 3.34Å; H248-D272 IonicContact ND1-OD2 2.9Å
273	S	98.9	Very high	93.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	164.7	177.5	62.3	0	0	0	0	111	I50 V51 E52 V53 T293	I50-S273 WeakPolarHBondContact CG2-OG 3.2Å; V51-S273 PolarHBondContact O-N 3.47Å; E52-S273 WeakPolarHBondContact CA-O 3.01Å; V53-S273 WeakPolarHBondContact CG2-O 3.32Å; V53-S273 PolarHBondContact N-O 3.27Å; S273-T293 VanDerWaalsContact C-OG1 3.24Å; S273-T293 WeakPolarHBondContact CB-OG1 3.3Å; S273-T293 WeakPolarHBondContact OG-CA 3.48Å; S273-T293 WeakPolarHBondContact OG-CB 3.3Å; S273-T293 WeakPolarHBondContact OG-CG2 3.35Å; S273-T293 PolarHBondContact OG-OG1 2.97Å
274	S	98.7	Very high	92.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-123.5	127.9	-175.3	-176	0	0	0	0	110.6	E52 G54 A276 G277 L278 V291 A292 T293	E52-S274 WeakPolarHBondContact OE1-CA 3.44Å; G54-S274 WeakPolarHBondContact CA-OG 3.5Å; S274-A276 PolarHBondContact O-N 3.09Å; S274-G277 WeakPolarHBondContact O-CA 3.43Å; S274-G277 PolarHBondContact O-N 3.5Å; S274-L278 WeakPolarHBondContact CB-O 3.3Å; S274-L278 WeakPolarHBondContact OG-CB 3.29Å; S274-L278 PolarHBondContact OG-N 3.24Å; S274-L278 PolarHBondContact OG-O 2.95Å; S274-V291 PolarHBondContact N-O 3.17Å; S274-A292 VanDerWaalsContact O-CA 3.3Å; S274-A292 WeakPolarHBondContact O-CA 3.3Å; S274-T293 PolarHBondContact N-OG1 3.33Å; S274-T293 VanDerWaalsContact N-OG1 3.15Å; S274-T293 PolarHBondContact O-N 3.18Å; S274-T293 PolarHBondContact O-OG1 2.65Å
275	V	98.6	Very high	90.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-49.9	134.2	177.1	65.7	0	0	0	0	110.4	E52 L74 L78 G277 L278 T293 L314 G318 I321	E52-V275 VanDerWaalsContact CD-N 3.34Å; E52-V275 PolarHBondContact OE1-N 3.02Å; E52-V275 PolarHBondContact OE2-N 2.85Å; L74-V275 HydrophobicContact CD1-CG1 4.31Å; L78-V275 HydrophobicContact CD2-CB 3.99Å; L78-V275 HydrophobicContact CD2-CG2 3.91Å; V275-G277 PolarHBondContact O-N 3.43Å; V275-L278 HydrophobicContact CG1-CD1 3.78Å; V275-L278 HydrophobicContact CG1-CG 4.35Å; V275-L278 VanDerWaalsContact O-CG 3.25Å; V275-L278 WeakPolarHBondContact O-CG 3.3Å; V275-L278 PolarHBondContact O-N 3.31Å; V275-T293 PolarHBondContact N-OG1 2.92Å; V275-L314 HydrophobicContact CG2-CD1 4.17Å; V275-G318 VanDerWaalsContact CG2-CA 3.47Å; V275-I321 HydrophobicContact CG1-CG2 4.31Å
276	A	97.6	Very high	88.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	54.2	16.2	-178.5	0	0	0	0	0	115.3	S274 L278 E294 C322 T329 S330	S274-A276 PolarHBondContact O-N 3.09Å; A276-L278 VanDerWaalsContact C-N 3.33Å; A276-E294 VanDerWaalsContact CA-OE1 3.32Å; A276-E294 WeakPolarHBondContact CA-OE1 3.49Å; A276-E294 VanDerWaalsContact N-CD 3.34Å; A276-E294 PolarHBondContact N-OE1 3.18Å; A276-E294 PolarHBondContact N-OE2 3.29Å; A276-C322 VanDerWaalsContact CB-SG 3.59Å; A276-T329 WeakPolarHBondContact CB-OG1 3.43Å; A276-S330 WeakPolarHBondContact O-CB 3.41Å; A276-S330 PolarHBondContact O-N 2.92Å
277	G	96.6	Very high	87.2	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.01	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	60.4	39.9	-171.5	0	0	0	0	0	112.7	S274 V275	S274-G277 WeakPolarHBondContact O-CA 3.43Å; S274-G277 PolarHBondContact O-N 3.5Å; V275-G277 PolarHBondContact O-N 3.43Å
278	L	95.3	Very high	86.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.196	C	C	.	.			trans	-61.4	150.9	174.7	-73.7	179.5	0	0	0	111.9	G58 L59 S274 V275 A276 N290 I321 L325	G58-L278 WeakPolarHBondContact CA-O 3.29Å; L59-L278 HydrophobicContact CD2-CD1 3.99Å; S274-L278 WeakPolarHBondContact CB-O 3.3Å; S274-L278 WeakPolarHBondContact OG-CB 3.29Å; S274-L278 PolarHBondContact OG-N 3.24Å; S274-L278 PolarHBondContact OG-O 2.95Å; V275-L278 HydrophobicContact CG1-CD1 3.78Å; V275-L278 HydrophobicContact CG1-CG 4.35Å; V275-L278 VanDerWaalsContact O-CG 3.25Å; V275-L278 WeakPolarHBondContact O-CG 3.3Å; V275-L278 PolarHBondContact O-N 3.31Å; A276-L278 VanDerWaalsContact C-N 3.33Å; L278-N290 PolarHBondContact O-ND2 2.94Å; L278-I321 HydrophobicContact CD1-CB 4.42Å; L278-I321 HydrophobicContact CD1-CG1 3.72Å; L278-I321 HydrophobicContact CD1-CG2 3.83Å; L278-I321 HydrophobicContact CG-CG2 4.44Å; L278-L325 HydrophobicContact CD2-CD1 3.45Å; L278-L325 VanDerWaalsContact CD2-CD1 3.45Å
279	G	87.2	Confident	85.9	Confident	6 Å²	6	30 Å²	30	6%	0.062	20%	0.195	C	C	.	.			trans	100.6	-175.7	-173.1	0	0	0	0	0	112.5	G58 E62	G58-G279 WeakPolarHBondContact O-CA 3.48Å; G58-G279 PolarHBondContact O-N 3.33Å; E62-G279 PolarHBondContact OE1-N 3.03Å
280	G	83.3	Confident	85.8	Confident	17 Å²	17	28.5 Å²	28.5	18%	0.175	18%	0.184	C	C	.	.			trans	-164.4	167.2	-179.7	0	0	0	0	0	109.4	P282	G280-P282 WeakPolarHBondContact O-CD 3.49Å
281	C	77	Confident	85.8	Confident	8 Å²	8	28.3 Å²	28.3	5%	0.054	18%	0.182	C	C	.	.			trans	-97	113.3	174.3	-176.8	0	0	0	0	109.4	T252 Y283 A284	T252-C281 HydrophobicContact CG2-CB 4.3Å; C281-Y283 PolarHBondContact O-N 3.28Å; C281-A284 HydrophobicContact CB-CB 4.06Å; C281-A284 CarbonylContact O-C 3.6Å; C281-A284 PolarHBondContact O-N 3Å; C281-A284 VanDerWaalsContact O-O 3.13Å
282	P	76	Confident	85.7	Confident	88 Å²	88	28.5 Å²	28.5	57%	0.571	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.4	175.8	-25.2	34.7	0	0	0	113.4	G280	G280-P282 WeakPolarHBondContact O-CD 3.49Å
283	Y	73.6	Confident	85.7	Confident	82 Å²	82	28.4 Å²	28.4	32%	0.322	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.7	-178.4	-49.5	-66.3	0	0	0	113.9	F149 N153 P190 Y191 I221 C281	F149-Y283 AromaticContact CE2-CE2 3.77Å; F149-Y283 HydrophobicContact CE2-CE2 3.77Å; F149-Y283 AromaticContact CE2-CZ 3.79Å; F149-Y283 VanDerWaalsContact CE2-OH 3.29Å; F149-Y283 WeakPolarHBondContact CE2-OH 3.42Å; F149-Y283 HydrophobicContact CZ-CE2 4.46Å; N153-Y283 PolarHBondContact OD1-OH 2.67Å; P190-Y283 HydrophobicContact CB-CD1 4.09Å; P190-Y283 HydrophobicContact CB-CD2 4.44Å; P190-Y283 HydrophobicContact CB-CG 3.94Å; P190-Y283 HydrophobicContact CG-CD1 4.03Å; P190-Y283 HydrophobicContact CG-CD2 4.04Å; P190-Y283 HydrophobicContact CG-CE1 4.17Å; P190-Y283 HydrophobicContact CG-CE2 4.14Å; P190-Y283 HydrophobicContact CG-CG 3.95Å; Y191-Y283 HydrophobicContact CE1-CE1 4.4Å; Y191-Y283 HydrophobicContact CE2-CE1 4.44Å; Y191-Y283 AromaticContact CZ-CE1 3.75Å; Y191-Y283 WeakPolarHBondContact OH-CE1 3.48Å; I221-Y283 HydrophobicContact CG2-CD2 3.79Å; I221-Y283 HydrophobicContact CG2-CG 4.37Å; C281-Y283 PolarHBondContact O-N 3.28Å
284	A	63.1	Low	85.7	Confident	20 Å²	20	28.5 Å²	28.5	17%	0.165	18%	0.184	C	C	.	.	S	Bend	trans	-131.4	92.5	178	0	0	0	0	0	109.5	T252 C281 G286 A287	T252-A284 HydrophobicContact CG2-CB 3.66Å; C281-A284 HydrophobicContact CB-CB 4.06Å; C281-A284 CarbonylContact O-C 3.6Å; C281-A284 PolarHBondContact O-N 3Å; C281-A284 VanDerWaalsContact O-O 3.13Å; A284-G286 PolarHBondContact O-N 2.87Å; A284-G286 VanDerWaalsContact O-N 3.15Å; A284-A287 HydrophobicContact CB-CB 3.72Å; A284-A287 WeakPolarHBondContact O-CB 3.32Å; A284-A287 PolarHBondContact O-N 3.31Å; A284-A287 VanDerWaalsContact O-N 3.1Å
285	Q	61.1	Low	85.7	Confident	199 Å²	199	29.4 Å²	29.4	93%	0.93	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	120.2	-175.8	-73.3	-169.9	-12.8	0	0	111.8	A287	Q285-A287 VanDerWaalsContact C-N 3.28Å; Q285-A287 PolarHBondContact O-N 2.94Å
286	G	61.2	Low	85.8	Confident	91 Å²	91	29.4 Å²	29.4	94%	0.938	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	0.1	176.5	0	0	0	0	0	115.2	A284	A284-G286 PolarHBondContact O-N 2.87Å; A284-G286 VanDerWaalsContact O-N 3.15Å
287	A	71.3	Confident	85.8	Confident	33 Å²	33	29.4 Å²	29.4	27%	0.273	19%	0.189	S	C	.	.			trans	-81.3	158.3	175.3	0	0	0	0	0	112	T252 A284 Q285	T252-A287 HydrophobicContact CG2-CB 3.5Å; A284-A287 HydrophobicContact CB-CB 3.72Å; A284-A287 WeakPolarHBondContact O-CB 3.32Å; A284-A287 PolarHBondContact O-N 3.31Å; A284-A287 VanDerWaalsContact O-N 3.1Å; Q285-A287 VanDerWaalsContact C-N 3.28Å; Q285-A287 PolarHBondContact O-N 2.94Å
288	S	78.3	Confident	85.9	Confident	40 Å²	40	36.5 Å²	36.5	28%	0.28	22%	0.216	S	C	.	.			trans	-53.5	150.7	166.5	27.5	0	0	0	0	111.1	D251 T252	D251-S288 VanDerWaalsContact C-OG 3.3Å; D251-S288 PolarHBondContact O-OG 3.28Å; T252-S288 WeakPolarHBondContact CA-O 3.36Å; T252-S288 WeakPolarHBondContact CA-OG 3.49Å; T252-S288 PolarHBondContact OG1-O 2.96Å
289	G	90.1	Very high	86.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.225	C	C	.	.			trans	-102.6	-114.5	170	0	0	0	0	0	109.5	H250 D251	H250-G289 CarbonylContact C-O 3.53Å; H250-G289 WeakPolarHBondContact CA-O 3.37Å; H250-G289 VanDerWaalsContact CB-O 3.25Å; H250-G289 WeakPolarHBondContact CB-O 3.25Å; D251-G289 PolarHBondContact N-O 3.03Å
290	N	96.9	Very high	86.6	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.027	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-53.7	149.3	175.2	-67.8	-61.1	0	0	0	114.2	D57 H248 H250 L278	D57-N290 PolarHBondContact OD2-ND2 3.13Å; D57-N290 PolarHBondContact OD2-OD1 3.5Å; H248-N290 PolarHBondContact CE1-OD1 2.96Å; H248-N290 PolarHBondContact NE2-OD1 3.07Å; H250-N290 PolarHBondContact CD2-OD1 3.36Å; H250-N290 PolarHBondContact NE2-OD1 3.34Å; L278-N290 PolarHBondContact O-ND2 2.94Å
291	V	98.4	Very high	87.4	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.012	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-62.6	141.7	165.8	69.4	0	0	0	0	111	C249 A256 L257 I260 S274 V296	C249-V291 PolarHBondContact O-N 2.94Å; A256-V291 HydrophobicContact CB-CB 3.63Å; A256-V291 HydrophobicContact CB-CG2 3.67Å; L257-V291 HydrophobicContact CD2-CG2 4.05Å; L257-V291 HydrophobicContact CG-CG2 4.29Å; I260-V291 HydrophobicContact CD1-CG1 3.98Å; I260-V291 HydrophobicContact CD1-CG2 4.4Å; S274-V291 PolarHBondContact N-O 3.17Å; V291-V296 HydrophobicContact CB-CG2 4.46Å; V291-V296 HydrophobicContact CG1-CG2 3.81Å; V291-V296 HydrophobicContact CG2-CG2 3.79Å
292	A	98.6	Very high	88.4	Confident	5 Å²	5	44 Å²	44	4%	0.041	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-72.2	128.4	178.7	0	0	0	0	0	111.7	S274 E294 D295 V296	S274-A292 VanDerWaalsContact O-CA 3.3Å; S274-A292 WeakPolarHBondContact O-CA 3.3Å; A292-E294 VanDerWaalsContact C-N 3.27Å; A292-E294 PolarHBondContact O-N 3.43Å; A292-D295 HydrophobicContact CB-CB 4.25Å; A292-D295 PolarHBondContact O-N 2.8Å; A292-D295 VanDerWaalsContact O-N 3.13Å; A292-V296 PolarHBondContact O-N 3.24Å; A292-V296 VanDerWaalsContact O-N 3.16Å
293	T	98.9	Very high	89.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.8	-38.7	-179.5	-57.4	0	0	0	0	112.2	I50 E52 L83 S273 S274 V275 D295 V296 V297 L314	I50-T293 HydrophobicContact CG2-CG2 3.93Å; E52-T293 WeakPolarHBondContact OE2-CB 3.39Å; E52-T293 WeakPolarHBondContact OE2-CG2 3.47Å; E52-T293 PolarHBondContact OE2-OG1 3.05Å; L83-T293 HydrophobicContact CD2-CG2 4.38Å; S273-T293 VanDerWaalsContact C-OG1 3.24Å; S273-T293 WeakPolarHBondContact CB-OG1 3.3Å; S273-T293 WeakPolarHBondContact OG-CA 3.48Å; S273-T293 WeakPolarHBondContact OG-CB 3.3Å; S273-T293 WeakPolarHBondContact OG-CG2 3.35Å; S273-T293 PolarHBondContact OG-OG1 2.97Å; S274-T293 PolarHBondContact N-OG1 3.33Å; S274-T293 VanDerWaalsContact N-OG1 3.15Å; S274-T293 PolarHBondContact O-N 3.18Å; S274-T293 PolarHBondContact O-OG1 2.65Å; V275-T293 PolarHBondContact N-OG1 2.92Å; T293-D295 VanDerWaalsContact C-N 3.3Å; T293-D295 PolarHBondContact O-N 3.39Å; T293-V296 PolarHBondContact O-N 2.96Å; T293-V297 HydrophobicContact CG2-CG2 4.22Å; T293-V297 WeakPolarHBondContact O-CB 3.5Å; T293-V297 VanDerWaalsContact O-CG2 3.29Å; T293-V297 WeakPolarHBondContact O-CG2 3.36Å; T293-V297 PolarHBondContact O-N 2.92Å; T293-L314 HydrophobicContact CG2-CD1 4.2Å; T293-L314 HydrophobicContact CG2-CD2 3.58Å
294	E	98.8	Very high	90.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-40.3	178	-58.6	93.1	140	0	0	112	A276 A292 V297 Y298 L311 L314 M315 S331 V333	A276-E294 VanDerWaalsContact CA-OE1 3.32Å; A276-E294 WeakPolarHBondContact CA-OE1 3.49Å; A276-E294 VanDerWaalsContact N-CD 3.34Å; A276-E294 PolarHBondContact N-OE1 3.18Å; A276-E294 PolarHBondContact N-OE2 3.29Å; A292-E294 VanDerWaalsContact C-N 3.27Å; A292-E294 PolarHBondContact O-N 3.43Å; E294-V297 PolarHBondContact O-N 3.29Å; E294-Y298 VanDerWaalsContact O-CB 3.28Å; E294-Y298 WeakPolarHBondContact O-CB 3.25Å; E294-Y298 PolarHBondContact O-N 3.34Å; E294-L311 HydrophobicContact CB-CD1 4.05Å; E294-L311 HydrophobicContact CG-CD1 4.41Å; E294-L314 HydrophobicContact CG-CD2 3.97Å; E294-L314 HydrophobicContact CG-CG 4.06Å; E294-M315 HydrophobicContact CG-CG 3.88Å; E294-S331 WeakPolarHBondContact CB-OG 3.44Å; E294-V333 HydrophobicContact CB-CB 4.34Å
295	D	98.9	Very high	92.3	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.102	26%	0.263	C	S	.	.	H	α-helix	trans	-72.7	-35.4	-178.5	-61.6	-2.9	0	0	0	110.5	L257 A292 T293 M299 S331 K332 V333	L257-D295 HydrophobicContact CD1-CB 4.24Å; A292-D295 HydrophobicContact CB-CB 4.25Å; A292-D295 PolarHBondContact O-N 2.8Å; A292-D295 VanDerWaalsContact O-N 3.13Å; T293-D295 VanDerWaalsContact C-N 3.3Å; T293-D295 PolarHBondContact O-N 3.39Å; D295-M299 PolarHBondContact O-N 3.13Å; D295-M299 VanDerWaalsContact O-N 3.15Å; D295-S331 WeakPolarHBondContact OD1-CB 3.27Å; D295-S331 PolarHBondContact OD1-OG 3.01Å; D295-K332 PolarHBondContact OD1-N 3.33Å; D295-K332 PolarHBondContact OD2-N 2.76Å; D295-V333 HydrophobicContact CB-CG2 4.48Å; D295-V333 WeakPolarHBondContact OD1-CB 3.3Å; D295-V333 VanDerWaalsContact OD1-CG2 3.3Å; D295-V333 WeakPolarHBondContact OD1-CG2 3.07Å; D295-V333 PolarHBondContact OD1-N 3.44Å
296	V	98.9	Very high	94.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-49.9	171.4	176.3	0	0	0	0	110.9	L257 I260 V271 V291 A292 T293 Y298 M299 L300	L257-V296 HydrophobicContact CD2-CB 4.42Å; L257-V296 HydrophobicContact CD2-CG2 3.77Å; I260-V296 HydrophobicContact CD1-CG2 4.06Å; V271-V296 HydrophobicContact CG1-CG1 4.16Å; V291-V296 HydrophobicContact CB-CG2 4.46Å; V291-V296 HydrophobicContact CG1-CG2 3.81Å; V291-V296 HydrophobicContact CG2-CG2 3.79Å; A292-V296 PolarHBondContact O-N 3.24Å; A292-V296 VanDerWaalsContact O-N 3.16Å; T293-V296 PolarHBondContact O-N 2.96Å; V296-Y298 VanDerWaalsContact C-N 3.31Å; V296-Y298 PolarHBondContact O-N 3.09Å; V296-M299 PolarHBondContact O-N 2.73Å; V296-L300 HydrophobicContact CG1-CD1 3.76Å; V296-L300 HydrophobicContact CG1-CG 4.28Å; V296-L300 VanDerWaalsContact O-CG 3.28Å; V296-L300 WeakPolarHBondContact O-CG 3.18Å; V296-L300 PolarHBondContact O-N 2.66Å
297	V	98.9	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-43.8	178.9	171	0	0	0	0	110.8	I50 T293 E294 M299 L300 H301 V309 L311 L314	I50-V297 HydrophobicContact CD1-CG2 3.34Å; T293-V297 HydrophobicContact CG2-CG2 4.22Å; T293-V297 WeakPolarHBondContact O-CB 3.5Å; T293-V297 VanDerWaalsContact O-CG2 3.29Å; T293-V297 WeakPolarHBondContact O-CG2 3.36Å; T293-V297 PolarHBondContact O-N 2.92Å; E294-V297 PolarHBondContact O-N 3.29Å; V297-M299 PolarHBondContact O-N 2.99Å; V297-L300 PolarHBondContact O-N 3.2Å; V297-H301 WeakPolarHBondContact CG1-CE1 3.36Å; V297-H301 WeakPolarHBondContact O-CB 3.14Å; V297-H301 PolarHBondContact O-N 3.39Å; V297-V309 HydrophobicContact CG2-CB 4.24Å; V297-V309 HydrophobicContact CG2-CG1 4.07Å; V297-L311 HydrophobicContact CB-CD1 4.25Å; V297-L311 HydrophobicContact CG1-CB 4.13Å; V297-L311 HydrophobicContact CG1-CD1 4.04Å; V297-L311 HydrophobicContact CG1-CG 4.49Å; V297-L314 HydrophobicContact CG2-CD2 4.05Å
298	Y	98.8	Very high	97.1	Very high	150 Å²	150	35.3 Å²	35.3	59%	0.588	22%	0.22	S	C	*	.	H	α-helix	trans	-58.7	-46.5	177.5	-176.7	-88.1	0	0	0	112.2	E294 V296 G302 L311 V333	E294-Y298 VanDerWaalsContact O-CB 3.28Å; E294-Y298 WeakPolarHBondContact O-CB 3.25Å; E294-Y298 PolarHBondContact O-N 3.34Å; V296-Y298 VanDerWaalsContact C-N 3.31Å; V296-Y298 PolarHBondContact O-N 3.09Å; Y298-G302 PolarHBondContact O-N 3.35Å; Y298-L311 HydrophobicContact CD2-CD2 4.38Å; Y298-V333 HydrophobicContact CD1-CG2 4.2Å; Y298-V333 HydrophobicContact CD2-CG1 4.1Å; Y298-V333 HydrophobicContact CD2-CG2 3.87Å; Y298-V333 HydrophobicContact CG-CG2 3.6Å
299	M	98.8	Very high	98.1	Very high	35 Å²	35	33.9 Å²	33.9	17%	0.172	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-48	174.8	-179.5	-176.1	69.3	0	0	111.5	L257 I260 L264 D295 V296 V297 G302 L303	L257-M299 HydrophobicContact CB-SD 4.36Å; L257-M299 HydrophobicContact CD2-CE 4.13Å; L257-M299 HydrophobicContact CD2-SD 4.28Å; I260-M299 HydrophobicContact CB-CE 4.43Å; I260-M299 HydrophobicContact CG2-CE 3.8Å; L264-M299 HydrophobicContact CD1-CE 4.02Å; D295-M299 PolarHBondContact O-N 3.13Å; D295-M299 VanDerWaalsContact O-N 3.15Å; V296-M299 PolarHBondContact O-N 2.73Å; V297-M299 PolarHBondContact O-N 2.99Å; M299-G302 PolarHBondContact O-N 2.8Å; M299-L303 HydrophobicContact CG-CD1 3.97Å; M299-L303 VanDerWaalsContact O-CG 3.31Å; M299-L303 WeakPolarHBondContact O-CG 3.47Å; M299-L303 PolarHBondContact O-N 3.29Å
300	L	98.8	Very high	98.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-44.3	-178	-68.4	173.7	0	0	0	112.1	V48 I50 L264 V296 V297 L303 G304 I305 T307	V48-L300 HydrophobicContact CB-CD1 4.02Å; V48-L300 HydrophobicContact CB-CD2 4.28Å; V48-L300 HydrophobicContact CG1-CD1 3.79Å; V48-L300 HydrophobicContact CG1-CD2 4.46Å; V48-L300 HydrophobicContact CG2-CD2 4Å; I50-L300 HydrophobicContact CD1-CD1 4.11Å; I50-L300 HydrophobicContact CG1-CD1 4.34Å; L264-L300 HydrophobicContact CD1-CD2 3.62Å; L264-L300 HydrophobicContact CD2-CD2 4.27Å; V296-L300 HydrophobicContact CG1-CD1 3.76Å; V296-L300 HydrophobicContact CG1-CG 4.28Å; V296-L300 VanDerWaalsContact O-CG 3.28Å; V296-L300 WeakPolarHBondContact O-CG 3.18Å; V296-L300 PolarHBondContact O-N 2.66Å; V297-L300 PolarHBondContact O-N 3.2Å; L300-L303 CarbonylContact O-C 3.51Å; L300-L303 PolarHBondContact O-N 2.72Å; L300-G304 PolarHBondContact O-N 2.94Å; L300-I305 HydrophobicContact CB-CB 4.31Å; L300-I305 HydrophobicContact CD2-CB 4.24Å; L300-I305 HydrophobicContact CD2-CD1 3.82Å; L300-I305 HydrophobicContact CD2-CG2 4.13Å; L300-I305 WeakPolarHBondContact O-CB 3.48Å; L300-I305 PolarHBondContact O-N 2.86Å; L300-T307 HydrophobicContact CB-CG2 3.87Å; L300-T307 HydrophobicContact CD1-CG2 3.63Å; L300-T307 HydrophobicContact CG-CG2 4.4Å
301	H	98.5	Very high	98.6	Very high	80 Å²	80	37.8 Å²	37.8	37%	0.37	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-42.7	175.6	-72.4	-176.4	0	0	0	111.7	V297 L303 G304 T307 V309	V297-H301 WeakPolarHBondContact CG1-CE1 3.36Å; V297-H301 WeakPolarHBondContact O-CB 3.14Å; V297-H301 PolarHBondContact O-N 3.39Å; H301-L303 PolarHBondContact O-N 3.1Å; H301-G304 PolarHBondContact O-N 3.2Å; H301-T307 PolarHBondContact NE2-OG1 3.08Å; H301-V309 PolarHBondContact CE1-O 3.01Å
302	G	98.4	Very high	98.5	Very high	73 Å²	73	41.9 Å²	41.9	75%	0.753	26%	0.257	S	S	*	.	H	α-helix	trans	-63.1	-29.1	175.3	0	0	0	0	0	113.8	Y298 M299 G304	Y298-G302 PolarHBondContact O-N 3.35Å; M299-G302 PolarHBondContact O-N 2.8Å; G302-G304 VanDerWaalsContact C-N 3.29Å
303	L	98.2	Very high	98.5	Very high	74 Å²	74	46.4 Å²	46.4	39%	0.387	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3	172.6	-69.2	170.8	0	0	0	113.5	L44 L261 M299 L300 H301 I305	L44-L303 HydrophobicContact CD1-CD2 4.3Å; L261-L303 HydrophobicContact CD1-CD1 4.18Å; M299-L303 HydrophobicContact CG-CD1 3.97Å; M299-L303 VanDerWaalsContact O-CG 3.31Å; M299-L303 WeakPolarHBondContact O-CG 3.47Å; M299-L303 PolarHBondContact O-N 3.29Å; L300-L303 CarbonylContact O-C 3.51Å; L300-L303 PolarHBondContact O-N 2.72Å; H301-L303 PolarHBondContact O-N 3.1Å; L303-I305 VanDerWaalsContact C-N 3.29Å; L303-I305 HydrophobicContact CB-CD1 3.99Å; L303-I305 HydrophobicContact CB-CG1 4.05Å; L303-I305 HydrophobicContact CD1-CD1 4.16Å; L303-I305 PolarHBondContact O-N 3.2Å
304	G	98.1	Very high	98.5	Very high	59 Å²	59	46.4 Å²	46.4	61%	0.608	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	16	-176	0	0	0	0	0	114.4	L300 H301 G302	L300-G304 PolarHBondContact O-N 2.94Å; H301-G304 PolarHBondContact O-N 3.2Å; G302-G304 VanDerWaalsContact C-N 3.29Å
305	I	98.7	Very high	98.5	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.036	28%	0.281	C	S	.	.			trans	-85.3	131.4	179.9	-61.8	172.6	0	0	0	109.8	L44 P45 V48 L264 L300 L303	L44-I305 HydrophobicContact CB-CD1 4.29Å; L44-I305 HydrophobicContact CD1-CD1 4.5Å; P45-I305 WeakPolarHBondContact O-CG1 3.4Å; V48-I305 HydrophobicContact CB-CG2 3.97Å; V48-I305 HydrophobicContact CG2-CG2 3.6Å; L264-I305 HydrophobicContact CD1-CD1 4.37Å; L300-I305 HydrophobicContact CB-CB 4.31Å; L300-I305 HydrophobicContact CD2-CB 4.24Å; L300-I305 HydrophobicContact CD2-CD1 3.82Å; L300-I305 HydrophobicContact CD2-CG2 4.13Å; L300-I305 WeakPolarHBondContact O-CB 3.48Å; L300-I305 PolarHBondContact O-N 2.86Å; L303-I305 VanDerWaalsContact C-N 3.29Å; L303-I305 HydrophobicContact CB-CD1 3.99Å; L303-I305 HydrophobicContact CB-CG1 4.05Å; L303-I305 HydrophobicContact CD1-CD1 4.16Å; L303-I305 PolarHBondContact O-N 3.2Å
306	Q	98.6	Very high	98.5	Very high	127 Å²	127	51.2 Å²	51.2	59%	0.593	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-75.4	133.2	179.7	-61.8	179.5	1.2	0	0	111.6	Q46 R47 V48	Q46-Q306 PolarHBondContact O-N 3.41Å; R47-Q306 CarbonylContact C-O 3.59Å; R47-Q306 VanDerWaalsContact CA-O 3.26Å; R47-Q306 WeakPolarHBondContact CA-O 3.25Å; R47-Q306 HydrophobicContact CB-CB 4.29Å; R47-Q306 HydrophobicContact CG-CB 4.23Å; R47-Q306 WeakPolarHBondContact CG-O 3.27Å; V48-Q306 PolarHBondContact N-O 3.14Å
307	T	98.6	Very high	98.5	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.025	30%	0.301	C	S	.	.			trans	-119.4	-31.8	172.6	64.4	0	0	0	0	112.5	I50 L300 H301 V309	I50-T307 HydrophobicContact CD1-CG2 4.03Å; L300-T307 HydrophobicContact CB-CG2 3.87Å; L300-T307 HydrophobicContact CD1-CG2 3.63Å; L300-T307 HydrophobicContact CG-CG2 4.4Å; H301-T307 PolarHBondContact NE2-OG1 3.08Å; T307-V309 PolarHBondContact OG1-N 3.18Å; T307-V309 VanDerWaalsContact OG1-N 3.16Å
308	G	97.6	Very high	98.5	Very high	60 Å²	60	51.2 Å²	51.2	62%	0.619	30%	0.301	S	S	*	.			trans	79.6	2.9	-169.6	0	0	0	0	0	113.9
309	V	98.6	Very high	98.4	Very high	10 Å²	10	45.4 Å²	45.4	6%	0.061	28%	0.284	C	S	.	.			trans	-90.5	132	-178.1	-178.7	0	0	0	0	110.9	I50 A81 L83 V297 H301 T307 L314	I50-V309 HydrophobicContact CD1-CG2 4.27Å; A81-V309 CarbonylContact O-C 3.58Å; A81-V309 VanDerWaalsContact O-CA 3.29Å; A81-V309 WeakPolarHBondContact O-CA 3.19Å; L83-V309 HydrophobicContact CD2-CG2 3.84Å; L83-V309 HydrophobicContact CG-CG2 4.26Å; V297-V309 HydrophobicContact CG2-CB 4.24Å; V297-V309 HydrophobicContact CG2-CG1 4.07Å; H301-V309 PolarHBondContact CE1-O 3.01Å; T307-V309 PolarHBondContact OG1-N 3.18Å; T307-V309 VanDerWaalsContact OG1-N 3.16Å; V309-L314 HydrophobicContact CG1-CB 4.28Å; V309-L314 HydrophobicContact CG1-CD2 4.09Å
310	D	98.6	Very high	98.4	Very high	62 Å²	62	45.4 Å²	45.4	33%	0.332	28%	0.284	S	S	.	.			trans	-84.3	103.8	170.7	-176.1	-41.3	0	0	0	109	A81 P312 K313 L314	A81-D310 PolarHBondContact O-N 3.45Å; D310-P312 WeakPolarHBondContact OD1-CD 3.42Å; D310-K313 HydrophobicContact CB-CB 4.14Å; D310-K313 HydrophobicContact CB-CD 4.09Å; D310-K313 HydrophobicContact CB-CG 4.26Å; D310-K313 PolarHBondContact O-N 3.09Å; D310-K313 PolarHBondContact OD1-N 3.07Å; D310-K313 WeakPolarHBondContact OD2-CD 3.32Å; D310-K313 WeakPolarHBondContact OD2-CE 3.44Å; D310-K313 IonicContact OD2-NZ 2.73Å; D310-L314 WeakPolarHBondContact O-CB 3.34Å; D310-L314 PolarHBondContact O-N 3.37Å
311	L	98.3	Very high	98.4	Very high	26 Å²	26	45.4 Å²	45.4	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-45.6	-174.9	178.8	61.8	0	0	0	112.9	E294 V297 Y298 K313 L314 M315 V333	E294-L311 HydrophobicContact CB-CD1 4.05Å; E294-L311 HydrophobicContact CG-CD1 4.41Å; V297-L311 HydrophobicContact CB-CD1 4.25Å; V297-L311 HydrophobicContact CG1-CB 4.13Å; V297-L311 HydrophobicContact CG1-CD1 4.04Å; V297-L311 HydrophobicContact CG1-CG 4.49Å; Y298-L311 HydrophobicContact CD2-CD2 4.38Å; L311-K313 PolarHBondContact O-N 2.73Å; L311-L314 HydrophobicContact CD1-CD2 4.4Å; L311-L314 WeakPolarHBondContact O-CB 3.31Å; L311-L314 PolarHBondContact O-N 3.08Å; L311-M315 HydrophobicContact CD1-CG 4.23Å; L311-M315 HydrophobicContact CD1-SD 4.29Å; L311-M315 HydrophobicContact CG-SD 4.13Å; L311-M315 VanDerWaalsContact O-CG 3.3Å; L311-M315 WeakPolarHBondContact O-CG 3.49Å; L311-M315 PolarHBondContact O-N 3.45Å; L311-V333 HydrophobicContact CD2-CG1 4.35Å
312	P	97.9	Very high	98.3	Very high	88 Å²	88	42 Å²	42	57%	0.571	27%	0.268	S	S	*	.	H	α-helix	trans	-52.6	-48.8	171.7	-29.5	34.8	0	0	0	114.1	D310 L314 M315 D316	D310-P312 WeakPolarHBondContact OD1-CD 3.42Å; P312-L314 VanDerWaalsContact C-N 3.34Å; P312-L314 PolarHBondContact O-N 3.28Å; P312-M315 WeakPolarHBondContact O-CB 3.1Å; P312-M315 PolarHBondContact O-N 2.92Å; P312-D316 PolarHBondContact O-N 3.03Å
313	K	98.6	Very high	98.2	Very high	99 Å²	99	46.8 Å²	46.8	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-65.5	-37.2	178.8	-69.9	-177.9	-172.9	176.6	0	113	E80 A81 D310 L311 M315 D316 A317	E80-K313 WeakPolarHBondContact O-CD 3.2Å; A81-K313 HydrophobicContact CB-CB 3.96Å; D310-K313 HydrophobicContact CB-CB 4.14Å; D310-K313 HydrophobicContact CB-CD 4.09Å; D310-K313 HydrophobicContact CB-CG 4.26Å; D310-K313 PolarHBondContact O-N 3.09Å; D310-K313 PolarHBondContact OD1-N 3.07Å; D310-K313 WeakPolarHBondContact OD2-CD 3.32Å; D310-K313 WeakPolarHBondContact OD2-CE 3.44Å; D310-K313 IonicContact OD2-NZ 2.73Å; L311-K313 PolarHBondContact O-N 2.73Å; K313-M315 VanDerWaalsContact C-N 3.3Å; K313-M315 PolarHBondContact O-N 2.95Å; K313-D316 PolarHBondContact O-N 3.45Å; K313-A317 PolarHBondContact O-N 3.37Å; K313-A317 VanDerWaalsContact O-N 3.09Å
314	L	98.8	Very high	98.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-42.5	174.3	177.8	65.7	0	0	0	110.9	L78 A81 L83 V275 T293 E294 V297 V309 D310 L311 P312 D316 A317 G318	L78-L314 HydrophobicContact CD2-CD1 3.67Å; A81-L314 HydrophobicContact CB-CB 4.08Å; L83-L314 HydrophobicContact CD1-CD1 4.04Å; V275-L314 HydrophobicContact CG2-CD1 4.17Å; T293-L314 HydrophobicContact CG2-CD1 4.2Å; T293-L314 HydrophobicContact CG2-CD2 3.58Å; E294-L314 HydrophobicContact CG-CD2 3.97Å; E294-L314 HydrophobicContact CG-CG 4.06Å; V297-L314 HydrophobicContact CG2-CD2 4.05Å; V309-L314 HydrophobicContact CG1-CB 4.28Å; V309-L314 HydrophobicContact CG1-CD2 4.09Å; D310-L314 WeakPolarHBondContact O-CB 3.34Å; D310-L314 PolarHBondContact O-N 3.37Å; L311-L314 HydrophobicContact CD1-CD2 4.4Å; L311-L314 WeakPolarHBondContact O-CB 3.31Å; L311-L314 PolarHBondContact O-N 3.08Å; P312-L314 VanDerWaalsContact C-N 3.34Å; P312-L314 PolarHBondContact O-N 3.28Å; L314-D316 VanDerWaalsContact C-N 3.34Å; L314-D316 PolarHBondContact O-N 3.38Å; L314-A317 WeakPolarHBondContact O-CB 3.35Å; L314-A317 PolarHBondContact O-N 3.37Å; L314-G318 PolarHBondContact O-N 3.12Å
315	M	98.2	Very high	98	Very high	23 Å²	23	43.3 Å²	43.3	11%	0.113	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-36.2	176.8	-71.4	173.9	57.8	0	0	112.5	E294 L311 P312 K313 A317 G318 A319 V333 A334 T337	E294-M315 HydrophobicContact CG-CG 3.88Å; L311-M315 HydrophobicContact CD1-CG 4.23Å; L311-M315 HydrophobicContact CD1-SD 4.29Å; L311-M315 HydrophobicContact CG-SD 4.13Å; L311-M315 VanDerWaalsContact O-CG 3.3Å; L311-M315 WeakPolarHBondContact O-CG 3.49Å; L311-M315 PolarHBondContact O-N 3.45Å; P312-M315 WeakPolarHBondContact O-CB 3.1Å; P312-M315 PolarHBondContact O-N 2.92Å; K313-M315 VanDerWaalsContact C-N 3.3Å; K313-M315 PolarHBondContact O-N 2.95Å; M315-A317 VanDerWaalsContact C-N 3.34Å; M315-G318 PolarHBondContact O-N 3.36Å; M315-A319 WeakPolarHBondContact O-CB 3.35Å; M315-A319 PolarHBondContact O-N 3.2Å; M315-V333 HydrophobicContact SD-CG1 4.2Å; M315-A334 HydrophobicContact CE-CB 4.27Å; M315-T337 HydrophobicContact CE-CG2 3.73Å
316	D	98.5	Very high	97.8	Very high	98 Å²	98	50.4 Å²	50.4	52%	0.524	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-42.3	173	-72.7	-28.5	0	0	0	111.6	M77 P312 K313 L314 A319 F320	M77-D316 HydrophobicContact CE-CB 4.16Å; P312-D316 PolarHBondContact O-N 3.03Å; K313-D316 PolarHBondContact O-N 3.45Å; L314-D316 VanDerWaalsContact C-N 3.34Å; L314-D316 PolarHBondContact O-N 3.38Å; D316-A319 PolarHBondContact O-N 2.84Å; D316-F320 WeakPolarHBondContact O-CB 3.35Å; D316-F320 PolarHBondContact O-N 3.05Å
317	A	98.8	Very high	97.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-45	174.5	0	0	0	0	0	111.6	L74 M77 L78 K313 L314 M315 A319 F320 I321	L74-A317 HydrophobicContact CD1-CB 4.33Å; M77-A317 HydrophobicContact CB-CB 3.78Å; M77-A317 HydrophobicContact CE-CB 4.21Å; M77-A317 HydrophobicContact SD-CB 4.47Å; L78-A317 HydrophobicContact CD2-CB 3.97Å; L78-A317 HydrophobicContact CG-CB 4.36Å; K313-A317 PolarHBondContact O-N 3.37Å; K313-A317 VanDerWaalsContact O-N 3.09Å; L314-A317 WeakPolarHBondContact O-CB 3.35Å; L314-A317 PolarHBondContact O-N 3.37Å; M315-A317 VanDerWaalsContact C-N 3.34Å; A317-A319 PolarHBondContact O-N 3.04Å; A317-F320 WeakPolarHBondContact O-CB 3.36Å; A317-F320 PolarHBondContact O-N 3.22Å; A317-I321 WeakPolarHBondContact O-CG2 3.45Å; A317-I321 PolarHBondContact O-N 3.38Å; A317-I321 VanDerWaalsContact O-N 3.09Å
318	G	98.4	Very high	97.3	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-42.2	175.4	0	0	0	0	0	113.3	V275 L314 M315 I321 C322	V275-G318 VanDerWaalsContact CG2-CA 3.47Å; L314-G318 PolarHBondContact O-N 3.12Å; M315-G318 PolarHBondContact O-N 3.36Å; G318-I321 WeakPolarHBondContact O-CG2 3.44Å; G318-C322 VanDerWaalsContact O-CB 3.29Å; G318-C322 WeakPolarHBondContact O-CB 3.37Å; G318-C322 PolarHBondContact O-N 2.98Å; G318-C322 PolarHBondContact O-SG 2.91Å; G318-C322 VanDerWaalsContact O-SG 3.37Å
319	A	98.2	Very high	97.2	Very high	28 Å²	28	55.1 Å²	55.1	23%	0.231	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-40.9	176.2	0	0	0	0	0	111.9	M315 D316 A317 R323	M315-A319 WeakPolarHBondContact O-CB 3.35Å; M315-A319 PolarHBondContact O-N 3.2Å; D316-A319 PolarHBondContact O-N 2.84Å; A317-A319 PolarHBondContact O-N 3.04Å; A319-R323 WeakPolarHBondContact O-CG 3.29Å; A319-R323 PolarHBondContact O-N 3.45Å
320	F	98.6	Very high	97.1	Very high	35 Å²	35	56.5 Å²	56.5	15%	0.154	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-52.1	175.6	164.1	-103	0	0	0	112.3	V70 H73 L74 M77 D316 A317 R323 S324	V70-F320 HydrophobicContact CB-CZ 4.34Å; V70-F320 HydrophobicContact CG1-CE1 3.86Å; V70-F320 HydrophobicContact CG1-CZ 3.74Å; V70-F320 HydrophobicContact CG2-CZ 4.46Å; H73-F320 HydrophobicContact CB-CE1 4.23Å; H73-F320 HydrophobicContact CB-CZ 4.14Å; H73-F320 AromaticContact CD2-CE1 3.7Å; H73-F320 AromaticContact CD2-CE2 3.71Å; H73-F320 AromaticContact CD2-CZ 3.48Å; H73-F320 VanDerWaalsContact CD2-CZ 3.48Å; H73-F320 WeakPolarHBondContact CD2-CZ 3.45Å; L74-F320 HydrophobicContact CB-CE1 4.3Å; M77-F320 HydrophobicContact CE-CB 4.17Å; M77-F320 HydrophobicContact SD-CB 3.89Å; M77-F320 HydrophobicContact SD-CD1 3.8Å; M77-F320 HydrophobicContact SD-CG 3.84Å; D316-F320 WeakPolarHBondContact O-CB 3.35Å; D316-F320 PolarHBondContact O-N 3.05Å; A317-F320 WeakPolarHBondContact O-CB 3.36Å; A317-F320 PolarHBondContact O-N 3.22Å; F320-R323 PolarHBondContact O-N 3.34Å; F320-S324 PolarHBondContact O-N 2.87Å; F320-S324 PolarHBondContact O-OG 3.43Å
321	I	98	Very high	97.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-70.1	-36.6	-177	-170.8	58.3	0	0	0	112.1	L59 V66 V70 L74 V275 L278 A317 G318 R323 S324 L325	L59-I321 HydrophobicContact CD2-CD1 4.2Å; L59-I321 HydrophobicContact CD2-CG1 4.27Å; V66-I321 HydrophobicContact CG1-CD1 4.23Å; V70-I321 HydrophobicContact CG1-CD1 3.85Å; L74-I321 HydrophobicContact CD1-CB 3.99Å; L74-I321 HydrophobicContact CD1-CG2 4.12Å; L74-I321 HydrophobicContact CD2-CB 4.12Å; L74-I321 HydrophobicContact CD2-CD1 4.04Å; L74-I321 HydrophobicContact CD2-CG1 3.81Å; V275-I321 HydrophobicContact CG1-CG2 4.31Å; L278-I321 HydrophobicContact CD1-CB 4.42Å; L278-I321 HydrophobicContact CD1-CG1 3.72Å; L278-I321 HydrophobicContact CD1-CG2 3.83Å; L278-I321 HydrophobicContact CG-CG2 4.44Å; A317-I321 WeakPolarHBondContact O-CG2 3.45Å; A317-I321 PolarHBondContact O-N 3.38Å; A317-I321 VanDerWaalsContact O-N 3.09Å; G318-I321 WeakPolarHBondContact O-CG2 3.44Å; I321-R323 PolarHBondContact O-N 3.4Å; I321-S324 PolarHBondContact O-N 2.63Å; I321-L325 HydrophobicContact CD1-CD1 4.29Å; I321-L325 HydrophobicContact CD1-CG 4.33Å; I321-L325 HydrophobicContact CG1-CD1 3.92Å; I321-L325 HydrophobicContact CG1-CG 4.43Å; I321-L325 WeakPolarHBondContact O-CB 3.23Å; I321-L325 PolarHBondContact O-N 3.38Å
322	C	97.1	Very high	97.1	Very high	7 Å²	7	59 Å²	59	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-41.6	174.2	-80.4	0	0	0	0	112.4	A276 G318 L325 N326 R327 T329	A276-C322 VanDerWaalsContact CB-SG 3.59Å; G318-C322 VanDerWaalsContact O-CB 3.29Å; G318-C322 WeakPolarHBondContact O-CB 3.37Å; G318-C322 PolarHBondContact O-N 2.98Å; G318-C322 PolarHBondContact O-SG 2.91Å; G318-C322 VanDerWaalsContact O-SG 3.37Å; C322-L325 PolarHBondContact O-N 3.1Å; C322-N326 PolarHBondContact O-N 3.28Å; C322-R327 CarbonylContact C-O 3.57Å; C322-R327 WeakPolarHBondContact CB-O 3.38Å; C322-R327 PolarHBondContact O-N 3.28Å; C322-T329 VanDerWaalsContact SG-CA 3.6Å
323	R	96.7	Very high	97.1	Very high	174 Å²	174	55.6 Å²	55.6	66%	0.657	27%	0.27	S	S	*	.	H	α-helix	trans	-61.3	-45	172.9	-75.6	-171.4	-60.7	-92.4	2.3	111.6	A319 F320 I321 L325 N326	A319-R323 WeakPolarHBondContact O-CG 3.29Å; A319-R323 PolarHBondContact O-N 3.45Å; F320-R323 PolarHBondContact O-N 3.34Å; I321-R323 PolarHBondContact O-N 3.4Å; R323-L325 VanDerWaalsContact C-N 3.29Å; R323-L325 PolarHBondContact O-N 3.03Å; R323-N326 PolarHBondContact O-N 2.99Å; R323-N326 VanDerWaalsContact O-N 3.11Å
324	S	96.4	Very high	97	Very high	52 Å²	52	51.3 Å²	51.3	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-64.5	-33.8	-179.7	-56.6	0	0	0	0	112.9	F320 I321 N326	F320-S324 PolarHBondContact O-N 2.87Å; F320-S324 PolarHBondContact O-OG 3.43Å; I321-S324 PolarHBondContact O-N 2.63Å; S324-N326 VanDerWaalsContact C-N 3.34Å
325	L	95.1	Very high	96.9	Very high	9 Å²	9	56 Å²	56	5%	0.047	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-6	175.9	-77.4	169.8	0	0	0	113.8	L59 E62 V66 L278 I321 C322 R323 R327	L59-L325 HydrophobicContact CD2-CD1 3.99Å; E62-L325 HydrophobicContact CB-CD2 4.19Å; E62-L325 HydrophobicContact CG-CD1 4.06Å; E62-L325 HydrophobicContact CG-CD2 4.18Å; V66-L325 HydrophobicContact CG2-CD2 3.3Å; V66-L325 HydrophobicContact CG2-CG 3.99Å; L278-L325 HydrophobicContact CD2-CD1 3.45Å; L278-L325 VanDerWaalsContact CD2-CD1 3.45Å; I321-L325 HydrophobicContact CD1-CD1 4.29Å; I321-L325 HydrophobicContact CD1-CG 4.33Å; I321-L325 HydrophobicContact CG1-CD1 3.92Å; I321-L325 HydrophobicContact CG1-CG 4.43Å; I321-L325 WeakPolarHBondContact O-CB 3.23Å; I321-L325 PolarHBondContact O-N 3.38Å; C322-L325 PolarHBondContact O-N 3.1Å; R323-L325 VanDerWaalsContact C-N 3.29Å; R323-L325 PolarHBondContact O-N 3.03Å; L325-R327 VanDerWaalsContact C-N 3.27Å; L325-R327 HydrophobicContact CB-CG 3.79Å; L325-R327 HydrophobicContact CD1-CG 4.42Å; L325-R327 PolarHBondContact O-N 3.15Å
326	N	94.6	Very high	96.9	Very high	155 Å²	155	58.8 Å²	58.8	83%	0.829	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	45.4	-170.5	-170	34.1	0	0	0	112.6	C322 R323 S324	C322-N326 PolarHBondContact O-N 3.28Å; R323-N326 PolarHBondContact O-N 2.99Å; R323-N326 VanDerWaalsContact O-N 3.11Å; S324-N326 VanDerWaalsContact C-N 3.34Å
327	R	92.4	Very high	96.4	Very high	71 Å²	71	58.2 Å²	58.2	27%	0.268	30%	0.301	S	S	.	.			trans	-128.2	161.9	176.8	69.4	173.3	-75.1	172	-5	111.6	E62 C322 L325 S330	E62-R327 IonicContact OE1-CZ 3.58Å; E62-R327 IonicContact OE1-NH1 2.73Å; E62-R327 PolarHBondContact OE1-NH1 3.43Å; E62-R327 IonicContact OE2-NH1 3.19Å; E62-R327 PolarHBondContact OE2-NH1 3.28Å; C322-R327 CarbonylContact C-O 3.57Å; C322-R327 WeakPolarHBondContact CB-O 3.38Å; C322-R327 PolarHBondContact O-N 3.28Å; L325-R327 VanDerWaalsContact C-N 3.27Å; L325-R327 HydrophobicContact CB-CG 3.79Å; L325-R327 HydrophobicContact CD1-CG 4.42Å; L325-R327 PolarHBondContact O-N 3.15Å; R327-S330 PolarHBondContact NH2-OG 3.32Å
328	K	94.3	Very high	94.7	Very high	191 Å²	191	62.3 Å²	62.3	83%	0.83	33%	0.329	S	S	*	.			trans	-82.7	148.9	169.7	-63.6	-175.7	179.1	-177.2	0	110
329	T	96.1	Very high	92.4	Very high	29 Å²	29	71.6 Å²	71.6	18%	0.178	37%	0.369	C	S	.	.			trans	-65.3	140.9	170.9	-179	0	0	0	0	110.6	A276 C322 S331 A334 Q335	A276-T329 WeakPolarHBondContact CB-OG1 3.43Å; C322-T329 VanDerWaalsContact SG-CA 3.6Å; T329-S331 PolarHBondContact OG1-N 3.13Å; T329-S331 VanDerWaalsContact OG1-N 3.12Å; T329-A334 HydrophobicContact CG2-CB 3.84Å; T329-Q335 HydrophobicContact CG2-CG 4.05Å; T329-Q335 PolarHBondContact O-NE2 3.42Å
330	S	95.9	Very high	89.6	Confident	39 Å²	39	82.1 Å²	82.1	27%	0.273	42%	0.42	S	S	.	.			trans	-87.6	-13.7	170.3	-63.6	0	0	0	0	112.5	A276 R327 K332	A276-S330 WeakPolarHBondContact O-CB 3.41Å; A276-S330 PolarHBondContact O-N 2.92Å; R327-S330 PolarHBondContact NH2-OG 3.32Å; S330-K332 PolarHBondContact O-N 3.11Å
331	S	97.9	Very high	89.1	Confident	0 Å²	0	84.5 Å²	84.5	0%	0	43%	0.434	C	S	.	.			trans	-62.8	126	174.5	165.3	0	0	0	0	111	E294 D295 T329 V333 A334 Q335	E294-S331 WeakPolarHBondContact CB-OG 3.44Å; D295-S331 WeakPolarHBondContact OD1-CB 3.27Å; D295-S331 PolarHBondContact OD1-OG 3.01Å; T329-S331 PolarHBondContact OG1-N 3.13Å; T329-S331 VanDerWaalsContact OG1-N 3.12Å; S331-V333 PolarHBondContact OG-N 3.4Å; S331-A334 PolarHBondContact OG-N 3.41Å; S331-Q335 VanDerWaalsContact O-CG 3.23Å; S331-Q335 WeakPolarHBondContact O-CG 3.4Å; S331-Q335 PolarHBondContact O-N 3.1Å
332	K	98.1	Very high	88.6	Confident	140 Å²	140	88.9 Å²	88.9	61%	0.609	46%	0.456	S	S	*	.	H	α-helix	trans	-73.6	-33.9	174.7	-59.6	-48	-174.9	94	0	112	D295 S330 Q335 A336	D295-K332 PolarHBondContact OD1-N 3.33Å; D295-K332 PolarHBondContact OD2-N 2.76Å; S330-K332 PolarHBondContact O-N 3.11Å; K332-Q335 PolarHBondContact O-N 3.4Å; K332-A336 WeakPolarHBondContact O-CB 3.46Å; K332-A336 PolarHBondContact O-N 3.49Å
333	V	98.1	Very high	88.2	Confident	17 Å²	17	93.5 Å²	93.5	10%	0.103	48%	0.479	C	S	.	.	H	α-helix	trans	-60.6	-47.7	174.4	174.3	0	0	0	0	110.5	E294 D295 Y298 L311 M315 S331 Q335 A336 T337	E294-V333 HydrophobicContact CB-CB 4.34Å; D295-V333 HydrophobicContact CB-CG2 4.48Å; D295-V333 WeakPolarHBondContact OD1-CB 3.3Å; D295-V333 VanDerWaalsContact OD1-CG2 3.3Å; D295-V333 WeakPolarHBondContact OD1-CG2 3.07Å; D295-V333 PolarHBondContact OD1-N 3.44Å; Y298-V333 HydrophobicContact CD1-CG2 4.2Å; Y298-V333 HydrophobicContact CD2-CG1 4.1Å; Y298-V333 HydrophobicContact CD2-CG2 3.87Å; Y298-V333 HydrophobicContact CG-CG2 3.6Å; L311-V333 HydrophobicContact CD2-CG1 4.35Å; M315-V333 HydrophobicContact SD-CG1 4.2Å; S331-V333 PolarHBondContact OG-N 3.4Å; V333-Q335 PolarHBondContact O-N 3.06Å; V333-A336 PolarHBondContact O-N 2.98Å; V333-T337 WeakPolarHBondContact O-CB 3.46Å; V333-T337 PolarHBondContact O-N 3.29Å; V333-T337 VanDerWaalsContact O-N 3.08Å; V333-T337 PolarHBondContact O-OG1 3.08Å
334	A	97.2	Very high	87.7	Confident	8 Å²	8	88.8 Å²	88.8	7%	0.066	47%	0.469	C	S	.	.	H	α-helix	trans	-63.1	-41.7	178.6	0	0	0	0	0	112.1	M315 T329 S331 A336 T337 C338	M315-A334 HydrophobicContact CE-CB 4.27Å; T329-A334 HydrophobicContact CG2-CB 3.84Å; S331-A334 PolarHBondContact OG-N 3.41Å; A334-A336 VanDerWaalsContact C-N 3.35Å; A334-A336 PolarHBondContact O-N 3.37Å; A334-T337 PolarHBondContact O-N 2.85Å; A334-C338 WeakPolarHBondContact O-CB 3.23Å; A334-C338 PolarHBondContact O-N 3.37Å
335	Q	97.1	Very high	87.1	Confident	100 Å²	100	91.1 Å²	91.1	47%	0.467	48%	0.475	S	S	.	.	H	α-helix	trans	-61	-40.4	175.7	-70.8	165.7	21.2	0	0	113	T329 S331 K332 V333	T329-Q335 HydrophobicContact CG2-CG 4.05Å; T329-Q335 PolarHBondContact O-NE2 3.42Å; S331-Q335 VanDerWaalsContact O-CG 3.23Å; S331-Q335 WeakPolarHBondContact O-CG 3.4Å; S331-Q335 PolarHBondContact O-N 3.1Å; K332-Q335 PolarHBondContact O-N 3.4Å; V333-Q335 PolarHBondContact O-N 3.06Å
336	A	96.4	Very high	86.6	Confident	80 Å²	80	96.5 Å²	96.5	66%	0.661	50%	0.504	S	S	*	.	H	α-helix	trans	-75.5	-26.2	-178.4	0	0	0	0	0	113.1	K332 V333 A334	K332-A336 WeakPolarHBondContact O-CB 3.46Å; K332-A336 PolarHBondContact O-N 3.49Å; V333-A336 PolarHBondContact O-N 2.98Å; A334-A336 VanDerWaalsContact C-N 3.35Å; A334-A336 PolarHBondContact O-N 3.37Å
337	T	88.3	Confident	86	Confident	87 Å²	87	92.4 Å²	92.4	53%	0.534	48%	0.48	S	S	.	.	H	α-helix	trans	-96.7	-37.2	-172.4	-51.1	0	0	0	0	112.5	M315 V333 A334 K339	M315-T337 HydrophobicContact CE-CG2 3.73Å; V333-T337 WeakPolarHBondContact O-CB 3.46Å; V333-T337 PolarHBondContact O-N 3.29Å; V333-T337 VanDerWaalsContact O-N 3.08Å; V333-T337 PolarHBondContact O-OG1 3.08Å; A334-T337 PolarHBondContact O-N 2.85Å; T337-K339 VanDerWaalsContact C-N 3.29Å; T337-K339 PolarHBondContact O-N 3.45Å
338	C	64.4	Low	85.5	Confident	86 Å²	86	94 Å²	94	58%	0.581	50%	0.497	S	S	*	.			trans	-74.1	84.9	172	-80.6	0	0	0	0	109.5	A334 L340	A334-C338 WeakPolarHBondContact O-CB 3.23Å; A334-C338 PolarHBondContact O-N 3.37Å; C338-L340 PolarHBondContact O-N 3.44Å
339	K	49.8	Very low	84.8	Confident	195 Å²	195	85.9 Å²	85.9	85%	0.848	47%	0.469	S	S	*	.			trans	-67.3	118.8	158.7	-70.5	-176.3	179.6	178.2	0	107.4	T337	T337-K339 VanDerWaalsContact C-N 3.29Å; T337-K339 PolarHBondContact O-N 3.45Å
340	L	38.5	Very low	83.8	Confident	250 Å²	250	91.1 Å²	91.1	100%	1.309	50%	0.496	S	S	*	.			trans	-45.1	0	165.2	-76.1	161.4	0	0	0	111.4	C338	C338-L340 PolarHBondContact O-N 3.44Å

Retrieved 340 of 340 residues in 246.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).