A0A077Z691_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z691, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 379 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	37.6	Very low	249 Å²	249	141.8 Å²	141.8	100%	1.227	81%	0.81	S	S	*	*				0	110.5	0	-81.8	173.6	164	0	0	107.8
2	S	34.6	Very low	37.3	Very low	101 Å²	101	149.4 Å²	149.4	71%	0.706	82%	0.819	S	S	*	*			trans	-82.8	141.5	-176	-177.8	0	0	0	0	110.8	G4	S2-G4 PolarHBondContact O-N 3.09Å
3	P	40.8	Very low	37.1	Very low	122 Å²	122	153.8 Å²	153.8	79%	0.792	83%	0.825	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-3.8	-174.5	-22.8	33.1	0	0	0	116.9
4	G	37.9	Very low	36.9	Very low	60 Å²	60	151.2 Å²	151.2	62%	0.619	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-19.4	-178.6	0	0	0	0	0	115.6	S2	S2-G4 PolarHBondContact O-N 3.09Å
5	L	37.4	Very low	36.8	Very low	151 Å²	151	152.9 Å²	152.9	79%	0.791	82%	0.818	S	S	*	*	G	3₁₀ helix	trans	-84.9	-10.3	-169.3	-135.8	82.3	0	0	0	114.9
6	Q	38.7	Very low	36.8	Very low	181 Å²	181	154.6 Å²	154.6	85%	0.846	82%	0.816	S	S	*	*	G	3₁₀ helix	trans	-88.3	-5.2	-174.3	-80.1	178.8	-10.1	0	0	115
7	K	40.5	Very low	37.1	Very low	198 Å²	198	152.9 Å²	152.9	86%	0.861	81%	0.813	S	S	*	*	G	3₁₀ helix	trans	-91.3	-2	-177.7	-82.2	-174.3	175.7	-178.8	0	115.6
8	L	36	Very low	37.2	Very low	128 Å²	128	151 Å²	151	67%	0.67	81%	0.811	S	S	*	*	S	Bend	trans	-98.9	7.6	-167.5	-105.3	143.2	0	0	0	116.2
9	I	39.8	Very low	37.7	Very low	165 Å²	165	152 Å²	152	85%	0.846	81%	0.81	S	S	*	*	S	Bend	trans	-109.3	2.4	-173.4	-65.8	176.5	0	0	0	113.8
10	A	35.9	Very low	37.7	Very low	97 Å²	97	152 Å²	152	80%	0.802	81%	0.81	S	S	*	*			trans	-123.8	68.4	-170.2	0	0	0	0	0	114.8
11	S	34.3	Very low	38.1	Very low	108 Å²	108	151.4 Å²	151.4	76%	0.755	81%	0.807	S	S	*	*			trans	-165.1	67.8	159.7	-172.2	0	0	0	0	114.1
12	Y	33.8	Very low	38.5	Very low	233 Å²	233	151.6 Å²	151.6	91%	0.914	79%	0.794	S	S	*	*			trans	-135.6	99.4	154.7	-85.5	-84.6	0	0	0	108.8
13	K	34.5	Very low	39.3	Very low	206 Å²	206	153.7 Å²	153.7	90%	0.896	80%	0.797	S	S	*	*			trans	-113.8	108.4	165.6	-92.5	-175	176.4	179.2	0	107.8
14	T	34.9	Very low	39.4	Very low	118 Å²	118	152.2 Å²	152.2	72%	0.724	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-79.1	120.2	169.2	-37.8	0	0	0	0	108.3	F16	T14-F16 HydrophobicContact CG2-CE2 4.2Å
15	Q	35.8	Very low	39.3	Very low	177 Å²	177	153.3 Å²	153.3	83%	0.827	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-102.5	126.6	169.5	-83.7	-179.4	-25.7	0	0	109.3
16	F	35.8	Very low	39.3	Very low	180 Å²	180	152.8 Å²	152.8	79%	0.789	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-94	126.1	169.6	-75.5	-92.2	0	0	0	108.7	T14	T14-F16 HydrophobicContact CG2-CE2 4.2Å
17	V	41.9	Very low	39.2	Very low	125 Å²	125	149.9 Å²	149.9	76%	0.758	80%	0.799	S	S	*	*			trans	-118.5	116.7	173.3	-177	0	0	0	0	108.4
18	P	40.3	Very low	39	Very low	119 Å²	119	147.6 Å²	147.6	77%	0.773	80%	0.796	S	S	*	*			trans	-78.1	132.2	172.1	29.2	-29.5	0	0	0	110.4
19	H	45.3	Very low	38.9	Very low	170 Å²	170	144.4 Å²	144.4	79%	0.787	79%	0.793	S	S	*	*			trans	-110.1	126.6	169.7	-143.9	-63.8	0	0	0	108.9
20	N	38.9	Very low	38.8	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	79%	0.788	S	S	*	*			trans	-85.7	117.1	173.8	-87.2	-13.6	0	0	0	109.1
21	D	44.7	Very low	38.7	Very low	140 Å²	140	143.5 Å²	143.5	75%	0.749	79%	0.786	S	S	*	*			trans	-94.8	149.4	162.8	-91.9	-30.4	0	0	0	111	D23	D21-D23 PolarHBondContact O-N 2.89Å
22	R	47.6	Very low	38.8	Very low	253 Å²	253	146.8 Å²	146.8	96%	0.955	79%	0.789	S	S	*	*	S	Bend	trans	-69.4	10.3	-169.1	-76.6	-177.3	178	-179.8	-0.1	116
23	D	50.7	Low	38.9	Very low	145 Å²	145	143.2 Å²	143.2	78%	0.775	79%	0.785	S	S	*	*	S	Bend	trans	-131.8	65.4	179.5	-88.2	-31.1	0	0	0	110.9	D21 S25	D21-D23 PolarHBondContact O-N 2.89Å; D23-S25 VanDerWaalsContact O-CB 3.28Å; D23-S25 WeakPolarHBondContact O-CB 3.44Å; D23-S25 PolarHBondContact O-N 2.67Å
24	G	42.2	Very low	39	Very low	91 Å²	91	143.1 Å²	143.1	94%	0.938	78%	0.784	S	S	*	*	S	Bend	trans	46.7	11.7	152.8	0	0	0	0	0	120.7
25	S	36.6	Very low	39	Very low	83 Å²	83	142.4 Å²	142.4	58%	0.58	78%	0.784	S	S	*	*			trans	-130.1	112.2	-167.8	-175.4	0	0	0	0	109.1	D23 V27	D23-S25 VanDerWaalsContact O-CB 3.28Å; D23-S25 WeakPolarHBondContact O-CB 3.44Å; D23-S25 PolarHBondContact O-N 2.67Å; S25-V27 PolarHBondContact O-N 2.73Å; S25-V27 VanDerWaalsContact O-N 3.12Å
26	V	37.3	Very low	38.9	Very low	140 Å²	140	138.6 Å²	138.6	85%	0.848	78%	0.783	S	S	*	*			trans	-76.5	95	174.7	179.3	0	0	0	0	107.9
27	V	36.7	Very low	39.1	Very low	119 Å²	119	134 Å²	134	72%	0.721	78%	0.779	S	S	*	*			trans	-93.5	111.7	169.9	-177.7	0	0	0	0	108.5	S25 G29	S25-V27 PolarHBondContact O-N 2.73Å; S25-V27 VanDerWaalsContact O-N 3.12Å; V27-G29 VanDerWaalsContact C-N 3.28Å; V27-G29 PolarHBondContact O-N 2.92Å
28	L	35.7	Very low	39.1	Very low	151 Å²	151	137.1 Å²	137.1	79%	0.791	78%	0.784	S	S	*	*			trans	-68	85	168.5	-90.8	153.9	0	0	0	109.4	V30	L28-V30 PolarHBondContact O-N 2.72Å
29	G	34	Very low	39.6	Very low	60 Å²	60	136.8 Å²	136.8	62%	0.619	77%	0.773	S	S	*	*			trans	-79.8	102.5	170.6	0	0	0	0	0	110.9	V27 T31	V27-G29 VanDerWaalsContact C-N 3.28Å; V27-G29 PolarHBondContact O-N 2.92Å; G29-T31 PolarHBondContact O-N 3.41Å; G29-T31 VanDerWaalsContact O-N 3.1Å
30	V	37.4	Very low	40.1	Very low	121 Å²	121	135.3 Å²	135.3	73%	0.733	77%	0.766	S	S	*	*			trans	-74.5	95.7	165.5	-179.1	0	0	0	0	107.7	L28 H32	L28-V30 PolarHBondContact O-N 2.72Å; V30-H32 PolarHBondContact O-N 3.47Å
31	T	35.6	Very low	41.4	Very low	123 Å²	123	136.7 Å²	136.7	76%	0.755	77%	0.768	S	S	*	*			trans	-77.8	108.9	165.8	17.3	0	0	0	0	108.1	G29 L33	G29-T31 PolarHBondContact O-N 3.41Å; G29-T31 VanDerWaalsContact O-N 3.1Å; T31-L33 PolarHBondContact O-N 3.29Å
32	H	35.6	Very low	42.6	Very low	176 Å²	176	133.2 Å²	133.2	82%	0.815	75%	0.745	S	S	*	*			trans	-66.2	86.5	166.3	-88.8	-75.1	0	0	0	109.2	V30 K34	V30-H32 PolarHBondContact O-N 3.47Å; H32-K34 PolarHBondContact O-N 2.89Å; H32-K34 VanDerWaalsContact O-N 3.07Å
33	L	36.1	Very low	44.3	Very low	159 Å²	159	125.4 Å²	125.4	83%	0.832	73%	0.727	S	S	*	*			trans	-64.4	102.7	158.1	-85.2	156.6	0	0	0	107.2	T31 S35	T31-L33 PolarHBondContact O-N 3.29Å; L33-S35 VanDerWaalsContact C-N 3.32Å; L33-S35 PolarHBondContact O-N 2.79Å
34	K	35.2	Very low	45.9	Very low	203 Å²	203	122.4 Å²	122.4	88%	0.883	71%	0.705	S	S	*	*			trans	-59.7	98.8	162	-76.6	-177.6	176.6	179.7	0	106.9	H32 A36	H32-K34 PolarHBondContact O-N 2.89Å; H32-K34 VanDerWaalsContact O-N 3.07Å; K34-A36 PolarHBondContact O-N 2.82Å
35	S	36.1	Very low	48.1	Very low	103 Å²	103	123 Å²	123	72%	0.72	68%	0.683	S	S	*	*			trans	-63.2	118.4	165.3	60.3	0	0	0	0	107.3	L33 A37	L33-S35 VanDerWaalsContact C-N 3.32Å; L33-S35 PolarHBondContact O-N 2.79Å; S35-A37 PolarHBondContact O-N 3.25Å
36	A	34.2	Very low	50.5	Low	98 Å²	98	122.1 Å²	122.1	81%	0.81	67%	0.674	S	S	*	*			trans	-61	94.5	158.7	0	0	0	0	0	106.7	K34 Q38	K34-A36 PolarHBondContact O-N 2.82Å; A36-Q38 PolarHBondContact O-N 2.87Å
37	A	39.8	Very low	52.8	Low	84 Å²	84	117.4 Å²	117.4	69%	0.694	64%	0.643	S	S	*	*			trans	-62.2	106.7	164.8	0	0	0	0	0	105.6	S35 E39	S35-A37 PolarHBondContact O-N 3.25Å; A37-E39 PolarHBondContact O-N 2.79Å
38	Q	40.2	Very low	55.3	Low	189 Å²	189	113.6 Å²	113.6	88%	0.883	62%	0.617	S	S	*	*			trans	-57.5	110.5	163.8	-83.3	178.7	-36.4	0	0	106.1	A36 Q40	A36-Q38 PolarHBondContact O-N 2.87Å; Q38-Q40 PolarHBondContact O-N 2.94Å
39	E	52.6	Low	58	Low	113 Å²	113	111.1 Å²	111.1	53%	0.528	60%	0.602	S	S	.	*			trans	-58.9	114.7	169.2	-64	-159.2	98.8	0	0	107.3	A37 E41 R85	A37-E39 PolarHBondContact O-N 2.79Å; E39-E41 PolarHBondContact O-N 2.97Å; E39-R85 IonicContact OE1-CZ 2.81Å; E39-R85 IonicContact OE1-NE 3.63Å; E39-R85 IonicContact OE1-NH1 3.66Å; E39-R85 PolarHBondContact OE1-NH1 2.85Å; E39-R85 IonicContact OE1-NH2 2.86Å; E39-R85 PolarHBondContact OE1-NH2 3.23Å; E39-R85 IonicContact OE2-CZ 2.98Å; E39-R85 IonicContact OE2-NE 3Å; E39-R85 IonicContact OE2-NH1 3.26Å; E39-R85 IonicContact OE2-NH2 3.35Å; E39-R85 PolarHBondContact OE2-NH2 2.87Å
40	Q	54.9	Low	60.8	Low	138 Å²	138	110.3 Å²	110.3	65%	0.645	58%	0.582	S	S	*	*			trans	-70.3	101.7	176.4	-163.3	169.6	6.3	0	0	107	Q38 Y42	Q38-Q40 PolarHBondContact O-N 2.94Å; Q40-Y42 HydrophobicContact CB-CE2 4.43Å; Q40-Y42 WeakPolarHBondContact O-CD2 3.42Å; Q40-Y42 VanDerWaalsContact O-CE2 3.29Å; Q40-Y42 WeakPolarHBondContact O-CE2 3.5Å; Q40-Y42 PolarHBondContact O-N 2.88Å
41	E	66.1	Low	63.4	Low	182 Å²	182	104.6 Å²	104.6	85%	0.85	55%	0.548	S	S	*	.			trans	-71	113.3	178.9	-164.8	169.5	-163.5	0	0	108.9	E39	E39-E41 PolarHBondContact O-N 2.97Å
42	Y	70.4	Confident	66.2	Low	66 Å²	66	100.1 Å²	100.1	26%	0.259	52%	0.518	S	S	.	.			trans	-82.4	151.9	177.4	-67.9	-87.3	0	0	0	110.2	Q40 Y44 T46 L132	Q40-Y42 HydrophobicContact CB-CE2 4.43Å; Q40-Y42 WeakPolarHBondContact O-CD2 3.42Å; Q40-Y42 VanDerWaalsContact O-CE2 3.29Å; Q40-Y42 WeakPolarHBondContact O-CE2 3.5Å; Q40-Y42 PolarHBondContact O-N 2.88Å; Y42-Y44 PolarHBondContact O-N 2.79Å; Y42-T46 HydrophobicContact CD1-CG2 4.3Å; Y42-L132 HydrophobicContact CD2-CD2 3.82Å; Y42-L132 HydrophobicContact CE1-CD1 4.4Å; Y42-L132 HydrophobicContact CE2-CD1 4.07Å; Y42-L132 HydrophobicContact CE2-CD2 3.55Å; Y42-L132 HydrophobicContact CE2-CG 3.93Å; Y42-L132 HydrophobicContact CG-CD2 4.5Å; Y42-L132 WeakPolarHBondContact OH-CD1 3.21Å
43	P	83.6	Confident	69	Low	89 Å²	89	95.8 Å²	95.8	58%	0.578	51%	0.507	S	S	*	.			trans	-54.6	138.9	167.5	-23	33.1	0	0	0	110.6	E45 T46 E47	P43-E45 VanDerWaalsContact C-N 3.28Å; P43-E45 PolarHBondContact O-N 3.36Å; P43-E45 VanDerWaalsContact O-N 3.16Å; P43-T46 WeakPolarHBondContact O-CA 3.27Å; P43-T46 WeakPolarHBondContact O-CB 3.4Å; P43-T46 PolarHBondContact O-N 2.88Å; P43-E47 PolarHBondContact O-N 3.36Å
44	Y	83.2	Confident	71.7	Confident	83 Å²	83	93.8 Å²	93.8	33%	0.325	49%	0.489	S	S	.	.	H	α-helix	trans	-48.5	-45.5	-176.3	174.9	-92.3	0	0	0	113.4	Y42 T46 E47 K48 Y76 K78 E155	Y42-Y44 PolarHBondContact O-N 2.79Å; Y44-T46 VanDerWaalsContact C-N 3.33Å; Y44-T46 PolarHBondContact O-N 3.18Å; Y44-E47 PolarHBondContact O-N 3.46Å; Y44-K48 HydrophobicContact CE1-CD 4.07Å; Y44-K48 VanDerWaalsContact O-CB 3.23Å; Y44-K48 WeakPolarHBondContact O-CB 3.46Å; Y44-K48 PolarHBondContact O-N 3.5Å; Y44-Y76 HydrophobicContact CE1-CE1 4.29Å; Y44-Y76 HydrophobicContact CE2-CE1 4.16Å; Y44-Y76 AromaticContact CZ-CE1 3.7Å; Y44-Y76 WeakPolarHBondContact OH-CE1 3.42Å; Y44-K78 HydrophobicContact CD2-CD 4.39Å; Y44-K78 HydrophobicContact CE2-CB 3.94Å; Y44-K78 HydrophobicContact CE2-CD 4.36Å; Y44-E155 PolarHBondContact OH-OE1 2.04Å; Y44-E155 PolarHBondContact OH-OE2 2.87Å
45	E	87.9	Confident	74.6	Confident	103 Å²	103	84.1 Å²	84.1	48%	0.481	45%	0.447	S	S	.	.	H	α-helix	trans	-64.7	-35.6	178.6	-67.6	-58	140.7	0	0	112.6	P43 K48 E49	P43-E45 VanDerWaalsContact C-N 3.28Å; P43-E45 PolarHBondContact O-N 3.36Å; P43-E45 VanDerWaalsContact O-N 3.16Å; E45-K48 IonicContact OE1-NZ 2.78Å; E45-K48 PolarHBondContact OE1-NZ 2.66Å; E45-K48 IonicContact OE2-NZ 3.39Å; E45-K48 PolarHBondContact OE2-NZ 2.88Å; E45-E49 WeakPolarHBondContact O-CG 3.17Å; E45-E49 PolarHBondContact O-N 3.16Å
46	T	88.3	Confident	77.4	Confident	64 Å²	64	80.2 Å²	80.2	39%	0.393	42%	0.42	S	S	.	.	H	α-helix	trans	-67.7	-45.7	175.5	-55.7	0	0	0	0	110.9	Y42 P43 Y44 K48 E49 I50	Y42-T46 HydrophobicContact CD1-CG2 4.3Å; P43-T46 WeakPolarHBondContact O-CA 3.27Å; P43-T46 WeakPolarHBondContact O-CB 3.4Å; P43-T46 PolarHBondContact O-N 2.88Å; Y44-T46 VanDerWaalsContact C-N 3.33Å; Y44-T46 PolarHBondContact O-N 3.18Å; T46-K48 VanDerWaalsContact C-N 3.34Å; T46-K48 PolarHBondContact O-N 3.18Å; T46-E49 PolarHBondContact O-N 2.84Å; T46-I50 HydrophobicContact CG2-CD1 3.94Å; T46-I50 VanDerWaalsContact O-CG1 3.23Å; T46-I50 WeakPolarHBondContact O-CG1 3.22Å; T46-I50 PolarHBondContact O-N 2.99Å
47	E	85.3	Confident	80.3	Confident	41 Å²	41	77.2 Å²	77.2	19%	0.192	40%	0.399	C	S	.	.	H	α-helix	trans	-60.4	-45	176.9	-173.6	-175.4	172.9	0	0	111.3	P43 Y44 I50 F51 K78 M129	P43-E47 PolarHBondContact O-N 3.36Å; Y44-E47 PolarHBondContact O-N 3.46Å; E47-I50 PolarHBondContact O-N 3.4Å; E47-F51 WeakPolarHBondContact O-CB 3.17Å; E47-F51 PolarHBondContact O-N 3.27Å; E47-K78 WeakPolarHBondContact OE1-CE 3.46Å; E47-K78 IonicContact OE1-NZ 3.57Å; E47-K78 PolarHBondContact OE1-NZ 2.9Å; E47-K78 IonicContact OE2-NZ 2.81Å; E47-K78 PolarHBondContact OE2-NZ 3.04Å; E47-M129 HydrophobicContact CG-SD 4.34Å
48	K	90.1	Very high	82.9	Confident	40 Å²	40	75.5 Å²	75.5	17%	0.174	38%	0.375	C	S	.	.	H	α-helix	trans	-57.2	-50.7	175.3	169.7	177.8	164.4	-159.6	0	112.3	Y44 E45 T46 I50 F51 K52 Y76	Y44-K48 HydrophobicContact CE1-CD 4.07Å; Y44-K48 VanDerWaalsContact O-CB 3.23Å; Y44-K48 WeakPolarHBondContact O-CB 3.46Å; Y44-K48 PolarHBondContact O-N 3.5Å; E45-K48 IonicContact OE1-NZ 2.78Å; E45-K48 PolarHBondContact OE1-NZ 2.66Å; E45-K48 IonicContact OE2-NZ 3.39Å; E45-K48 PolarHBondContact OE2-NZ 2.88Å; T46-K48 VanDerWaalsContact C-N 3.34Å; T46-K48 PolarHBondContact O-N 3.18Å; K48-I50 VanDerWaalsContact C-N 3.34Å; K48-I50 PolarHBondContact O-N 3Å; K48-F51 PolarHBondContact O-N 3.39Å; K48-K52 HydrophobicContact CG-CD 4.36Å; K48-K52 VanDerWaalsContact O-CG 3.28Å; K48-K52 WeakPolarHBondContact O-CG 3.49Å; K48-K52 PolarHBondContact O-N 3.41Å; K48-Y76 HydrophobicContact CB-CD1 4.21Å; K48-Y76 HydrophobicContact CB-CE1 3.65Å; K48-Y76 HydrophobicContact CB-CE2 4.42Å; K48-Y76 HydrophobicContact CD-CD1 3.53Å; K48-Y76 HydrophobicContact CD-CE1 3.71Å; K48-Y76 HydrophobicContact CD-CG 4.24Å; K48-Y76 HydrophobicContact CG-CD1 3.57Å; K48-Y76 HydrophobicContact CG-CD2 4.28Å; K48-Y76 HydrophobicContact CG-CE1 3.55Å; K48-Y76 HydrophobicContact CG-CE2 4.29Å; K48-Y76 HydrophobicContact CG-CG 3.93Å
49	E	92	Very high	85.6	Confident	99 Å²	99	66.5 Å²	66.5	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-66.7	-35.7	-179.8	-69.4	-53.4	125	0	0	112.3	E45 T46 K52 S53	E45-E49 WeakPolarHBondContact O-CG 3.17Å; E45-E49 PolarHBondContact O-N 3.16Å; T46-E49 PolarHBondContact O-N 2.84Å; E49-K52 IonicContact OE1-NZ 2.7Å; E49-K52 PolarHBondContact OE1-NZ 2.81Å; E49-S53 WeakPolarHBondContact O-CB 3.45Å; E49-S53 PolarHBondContact O-N 3.25Å
50	I	91.5	Very high	87.6	Confident	42 Å²	42	64.3 Å²	64.3	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-48	172	-64.6	169.1	0	0	0	110	T46 E47 K48 K52 S53 R54 M129 L132	T46-I50 HydrophobicContact CG2-CD1 3.94Å; T46-I50 VanDerWaalsContact O-CG1 3.23Å; T46-I50 WeakPolarHBondContact O-CG1 3.22Å; T46-I50 PolarHBondContact O-N 2.99Å; E47-I50 PolarHBondContact O-N 3.4Å; K48-I50 VanDerWaalsContact C-N 3.34Å; K48-I50 PolarHBondContact O-N 3Å; I50-K52 PolarHBondContact O-N 3.47Å; I50-S53 PolarHBondContact O-N 2.93Å; I50-R54 HydrophobicContact CG2-CG 4.19Å; I50-R54 VanDerWaalsContact O-CG 3.28Å; I50-R54 WeakPolarHBondContact O-CG 3.22Å; I50-R54 PolarHBondContact O-N 2.93Å; I50-M129 HydrophobicContact CB-CE 4.29Å; I50-M129 HydrophobicContact CG2-CE 3.61Å; I50-L132 HydrophobicContact CD1-CD1 4.31Å; I50-L132 HydrophobicContact CD1-CD2 3.66Å; I50-L132 HydrophobicContact CG2-CB 4.42Å; I50-L132 HydrophobicContact CG2-CD2 4.28Å
51	F	92.5	Very high	89.5	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	32%	0.319	C	S	.	.	H	α-helix	trans	-56.1	-51.1	178.6	-172.4	-111.8	0	0	0	111.5	E47 K48 S53 R54 V55 Y76 G88 I90 Y125 M129 L134	E47-F51 WeakPolarHBondContact O-CB 3.17Å; E47-F51 PolarHBondContact O-N 3.27Å; K48-F51 PolarHBondContact O-N 3.39Å; F51-S53 VanDerWaalsContact C-N 3.34Å; F51-S53 PolarHBondContact O-N 3.21Å; F51-R54 PolarHBondContact O-N 3.45Å; F51-V55 HydrophobicContact CD1-CG2 4.2Å; F51-V55 HydrophobicContact CD2-CG2 4.37Å; F51-V55 HydrophobicContact CE1-CG2 3.94Å; F51-V55 HydrophobicContact CE2-CG2 4.18Å; F51-V55 HydrophobicContact CG-CG2 4.44Å; F51-V55 HydrophobicContact CZ-CG2 3.95Å; F51-V55 WeakPolarHBondContact O-CG2 3.43Å; F51-V55 PolarHBondContact O-N 3.35Å; F51-Y76 HydrophobicContact CB-CE2 4.34Å; F51-Y76 HydrophobicContact CD1-CD2 4.04Å; F51-Y76 AromaticContact CD1-CE2 3.57Å; F51-Y76 HydrophobicContact CD1-CE2 3.57Å; F51-Y76 HydrophobicContact CE1-CE2 4.25Å; F51-Y76 HydrophobicContact CG-CE2 4.25Å; F51-G88 VanDerWaalsContact CZ-C 3.49Å; F51-G88 WeakPolarHBondContact CZ-O 3.42Å; F51-I90 HydrophobicContact CD1-CD1 3.43Å; F51-I90 VanDerWaalsContact CD1-CD1 3.43Å; F51-I90 HydrophobicContact CD1-CG1 3.92Å; F51-I90 HydrophobicContact CE1-CD1 3.61Å; F51-I90 HydrophobicContact CE1-CG1 3.78Å; F51-Y125 HydrophobicContact CE1-CD1 4.32Å; F51-Y125 HydrophobicContact CE2-CE1 4.15Å; F51-Y125 AromaticContact CZ-CD1 3.78Å; F51-Y125 HydrophobicContact CZ-CD1 3.78Å; F51-Y125 AromaticContact CZ-CE1 3.76Å; F51-Y125 HydrophobicContact CZ-CE1 3.76Å; F51-M129 HydrophobicContact CB-SD 3.54Å; F51-M129 VanDerWaalsContact CB-SD 3.54Å; F51-M129 HydrophobicContact CD2-CG 3.37Å; F51-M129 HydrophobicContact CD2-SD 3.48Å; F51-M129 WeakPolarHBondContact CD2-SD 3.41Å; F51-M129 HydrophobicContact CE2-CG 3.94Å; F51-M129 HydrophobicContact CG-CG 4.4Å; F51-M129 HydrophobicContact CG-SD 3.96Å; F51-L134 HydrophobicContact CD2-CD2 3.61Å; F51-L134 HydrophobicContact CE2-CD2 3.37Å; F51-L134 HydrophobicContact CZ-CD2 4.31Å
52	K	94.5	Very high	90.9	Very high	30 Å²	30	57 Å²	57	13%	0.13	30%	0.298	C	S	.	.	H	α-helix	trans	-56.3	-47.3	177.5	-69.6	176.8	178.9	176	0	112	K48 E49 I50 R54 V55 A56 T73 I90	K48-K52 HydrophobicContact CG-CD 4.36Å; K48-K52 VanDerWaalsContact O-CG 3.28Å; K48-K52 WeakPolarHBondContact O-CG 3.49Å; K48-K52 PolarHBondContact O-N 3.41Å; E49-K52 IonicContact OE1-NZ 2.7Å; E49-K52 PolarHBondContact OE1-NZ 2.81Å; I50-K52 PolarHBondContact O-N 3.47Å; K52-R54 VanDerWaalsContact C-N 3.34Å; K52-R54 PolarHBondContact O-N 3Å; K52-V55 PolarHBondContact O-N 3.49Å; K52-A56 WeakPolarHBondContact O-CB 3.14Å; K52-A56 PolarHBondContact O-N 3.43Å; K52-T73 HydrophobicContact CB-CG2 4.43Å; K52-T73 HydrophobicContact CD-CG2 3.93Å; K52-T73 HydrophobicContact CG-CG2 3.95Å; K52-I90 HydrophobicContact CB-CD1 4.24Å; K52-I90 HydrophobicContact CG-CD1 3.79Å
53	S	93.6	Very high	92.1	Very high	84 Å²	84	54.1 Å²	54.1	59%	0.587	29%	0.287	S	S	*	.	H	α-helix	trans	-61.2	-42.6	179.1	-179.7	0	0	0	0	112	E49 I50 F51 A56 G57	E49-S53 WeakPolarHBondContact O-CB 3.45Å; E49-S53 PolarHBondContact O-N 3.25Å; I50-S53 PolarHBondContact O-N 2.93Å; F51-S53 VanDerWaalsContact C-N 3.34Å; F51-S53 PolarHBondContact O-N 3.21Å; S53-A56 PolarHBondContact O-N 3.49Å; S53-G57 PolarHBondContact O-N 2.8Å; S53-G57 VanDerWaalsContact O-N 3.1Å
54	R	94.4	Very high	92.6	Very high	118 Å²	118	58.4 Å²	58.4	45%	0.445	29%	0.292	S	S	.	.	H	α-helix	trans	-67.2	-41.1	177.5	-63.8	-61.2	-168.7	-172.8	3.2	112.1	I50 F51 K52 G57 Y58 L132 L134	I50-R54 HydrophobicContact CG2-CG 4.19Å; I50-R54 VanDerWaalsContact O-CG 3.28Å; I50-R54 WeakPolarHBondContact O-CG 3.22Å; I50-R54 PolarHBondContact O-N 2.93Å; F51-R54 PolarHBondContact O-N 3.45Å; K52-R54 VanDerWaalsContact C-N 3.34Å; K52-R54 PolarHBondContact O-N 3Å; R54-G57 PolarHBondContact O-N 2.88Å; R54-Y58 PolarHBondContact O-N 3.39Å; R54-L132 PolarHBondContact NE-O 2.76Å; R54-L132 VanDerWaalsContact NE-O 3.09Å; R54-L134 VanDerWaalsContact C-CD1 3.4Å; R54-L134 HydrophobicContact CB-CD1 3.58Å; R54-L134 HydrophobicContact CB-CD2 4.34Å; R54-L134 HydrophobicContact CB-CG 3.55Å; R54-L134 HydrophobicContact CG-CG 4.47Å; R54-L134 WeakPolarHBondContact O-CD1 3.21Å
55	V	95.6	Very high	93.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-40.2	178	170.8	0	0	0	0	110.9	F51 K52 G57 Y58 F59 F71 I90 Y125 L134	F51-V55 HydrophobicContact CD1-CG2 4.2Å; F51-V55 HydrophobicContact CD2-CG2 4.37Å; F51-V55 HydrophobicContact CE1-CG2 3.94Å; F51-V55 HydrophobicContact CE2-CG2 4.18Å; F51-V55 HydrophobicContact CG-CG2 4.44Å; F51-V55 HydrophobicContact CZ-CG2 3.95Å; F51-V55 WeakPolarHBondContact O-CG2 3.43Å; F51-V55 PolarHBondContact O-N 3.35Å; K52-V55 PolarHBondContact O-N 3.49Å; V55-G57 VanDerWaalsContact C-N 3.34Å; V55-G57 PolarHBondContact O-N 3.49Å; V55-Y58 WeakPolarHBondContact O-CB 3.35Å; V55-Y58 PolarHBondContact O-N 3.24Å; V55-Y58 VanDerWaalsContact O-N 3.17Å; V55-F59 HydrophobicContact CG1-CD2 3.76Å; V55-F59 HydrophobicContact CG1-CE2 3.37Å; V55-F59 HydrophobicContact CG1-CZ 4.27Å; V55-F59 VanDerWaalsContact O-CD2 3.3Å; V55-F59 WeakPolarHBondContact O-CD2 3.04Å; V55-F59 PolarHBondContact O-N 2.58Å; V55-F71 HydrophobicContact CG1-CZ 4Å; V55-I90 HydrophobicContact CB-CD1 4Å; V55-I90 HydrophobicContact CG1-CD1 4.17Å; V55-I90 HydrophobicContact CG2-CD1 4.04Å; V55-Y125 HydrophobicContact CB-CD1 4.48Å; V55-Y125 HydrophobicContact CB-CG 4.5Å; V55-Y125 HydrophobicContact CG1-CD1 4.12Å; V55-Y125 HydrophobicContact CG1-CD2 4.03Å; V55-Y125 HydrophobicContact CG1-CG 3.71Å; V55-Y125 HydrophobicContact CG2-CD1 3.47Å; V55-Y125 VanDerWaalsContact CG2-CD1 3.47Å; V55-Y125 HydrophobicContact CG2-CD2 4.39Å; V55-Y125 HydrophobicContact CG2-CE1 3.59Å; V55-Y125 HydrophobicContact CG2-CE2 4.47Å; V55-Y125 HydrophobicContact CG2-CG 3.93Å; V55-L134 HydrophobicContact CG2-CD1 3.89Å; V55-L134 HydrophobicContact CG2-CD2 3.92Å
56	A	95.6	Very high	93.4	Very high	20 Å²	20	52.8 Å²	52.8	17%	0.165	27%	0.274	C	S	.	.	H	α-helix	trans	-57.2	-47.6	172.2	0	0	0	0	0	111.3	K52 S53 Y58 F59 V60 F71	K52-A56 WeakPolarHBondContact O-CB 3.14Å; K52-A56 PolarHBondContact O-N 3.43Å; S53-A56 PolarHBondContact O-N 3.49Å; A56-Y58 VanDerWaalsContact C-N 3.31Å; A56-Y58 PolarHBondContact O-N 2.91Å; A56-F59 PolarHBondContact O-N 3.05Å; A56-V60 VanDerWaalsContact O-CG2 3.32Å; A56-V60 WeakPolarHBondContact O-CG2 3.29Å; A56-V60 PolarHBondContact O-N 3.26Å; A56-F71 HydrophobicContact CB-CB 4.04Å; A56-F71 HydrophobicContact CB-CD1 3.59Å; A56-F71 HydrophobicContact CB-CD2 4.13Å; A56-F71 HydrophobicContact CB-CE1 3.99Å; A56-F71 HydrophobicContact CB-CG 3.65Å; A56-F71 HydrophobicContact CB-CZ 4.44Å
57	G	94.9	Very high	93.6	Very high	36 Å²	36	55.7 Å²	55.7	37%	0.371	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-36.6	175.7	0	0	0	0	0	113.6	S53 R54 V55 T61	S53-G57 PolarHBondContact O-N 2.8Å; S53-G57 VanDerWaalsContact O-N 3.1Å; R54-G57 PolarHBondContact O-N 2.88Å; V55-G57 VanDerWaalsContact C-N 3.34Å; V55-G57 PolarHBondContact O-N 3.49Å; G57-T61 PolarHBondContact O-N 3.1Å; G57-T61 PolarHBondContact O-OG1 3.24Å
58	Y	94.8	Very high	94.1	Very high	48 Å²	48	55.1 Å²	55.1	19%	0.188	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-50.2	173.7	-179.1	-86.1	0	0	0	110.8	R54 V55 A56 T61 H62 Y125 P137 I140	R54-Y58 PolarHBondContact O-N 3.39Å; V55-Y58 WeakPolarHBondContact O-CB 3.35Å; V55-Y58 PolarHBondContact O-N 3.24Å; V55-Y58 VanDerWaalsContact O-N 3.17Å; A56-Y58 VanDerWaalsContact C-N 3.31Å; A56-Y58 PolarHBondContact O-N 2.91Å; Y58-T61 WeakPolarHBondContact O-CB 3.26Å; Y58-T61 PolarHBondContact O-N 3.44Å; Y58-H62 AromaticContact CD1-ND1 3.81Å; Y58-H62 AromaticContact CD2-CE1 3.38Å; Y58-H62 WeakPolarHBondContact CD2-CE1 3.34Å; Y58-H62 AromaticContact CD2-ND1 3.58Å; Y58-H62 HydrophobicContact CE1-CB 4.16Å; Y58-H62 AromaticContact CE1-CG 3.76Å; Y58-H62 AromaticContact CE1-ND1 3.7Å; Y58-H62 AromaticContact CE2-CE1 3.06Å; Y58-H62 WeakPolarHBondContact CE2-CE1 3.44Å; Y58-H62 AromaticContact CE2-ND1 3.49Å; Y58-H62 WeakPolarHBondContact CE2-ND1 3.39Å; Y58-H62 AromaticContact CE2-NE2 3.41Å; Y58-H62 WeakPolarHBondContact CE2-NE2 3.47Å; Y58-H62 AromaticContact CG-ND1 3.72Å; Y58-H62 AromaticContact CZ-CD2 3.63Å; Y58-H62 AromaticContact CZ-CE1 3.45Å; Y58-H62 VanDerWaalsContact CZ-CE1 3.45Å; Y58-H62 AromaticContact CZ-CG 3.64Å; Y58-H62 AromaticContact CZ-ND1 3.52Å; Y58-H62 AromaticContact CZ-NE2 3.5Å; Y58-H62 PolarHBondContact O-N 3.49Å; Y58-H62 PolarHBondContact O-ND1 3.41Å; Y58-H62 PolarHBondContact OH-CD2 2.9Å; Y58-H62 PolarHBondContact OH-NE2 3.32Å; Y58-Y125 HydrophobicContact CD1-CD2 4.29Å; Y58-Y125 AromaticContact CD1-CE2 3.91Å; Y58-Y125 HydrophobicContact CD1-CE2 3.91Å; Y58-Y125 HydrophobicContact CE1-CE2 4.14Å; Y58-Y125 HydrophobicContact CG-CE2 4.15Å; Y58-P137 HydrophobicContact CE2-CG 4.44Å; Y58-I140 HydrophobicContact CE1-CD1 3.46Å; Y58-I140 VanDerWaalsContact CE1-CD1 3.46Å; Y58-I140 HydrophobicContact CE1-CG1 4.43Å; Y58-I140 WeakPolarHBondContact OH-CD1 3.11Å
59	F	96.1	Very high	94.2	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-43.4	-179.8	-72.4	-52.7	0	0	0	113.4	V55 A56 T61 H62 L63 F71 M94 C123 Y125 I140 C142 L187	V55-F59 HydrophobicContact CG1-CD2 3.76Å; V55-F59 HydrophobicContact CG1-CE2 3.37Å; V55-F59 HydrophobicContact CG1-CZ 4.27Å; V55-F59 VanDerWaalsContact O-CD2 3.3Å; V55-F59 WeakPolarHBondContact O-CD2 3.04Å; V55-F59 PolarHBondContact O-N 2.58Å; A56-F59 PolarHBondContact O-N 3.05Å; F59-T61 PolarHBondContact O-N 2.83Å; F59-T61 VanDerWaalsContact O-N 3.12Å; F59-H62 PolarHBondContact O-N 2.9Å; F59-L63 HydrophobicContact CB-CD1 4.1Å; F59-L63 HydrophobicContact CD1-CD1 4.48Å; F59-L63 VanDerWaalsContact O-CB 3.26Å; F59-L63 WeakPolarHBondContact O-CB 3.35Å; F59-L63 WeakPolarHBondContact O-CG 3.02Å; F59-L63 PolarHBondContact O-N 3.02Å; F59-F71 HydrophobicContact CD2-CD2 4.37Å; F59-F71 AromaticContact CD2-CE2 3.61Å; F59-F71 HydrophobicContact CD2-CE2 3.61Å; F59-F71 HydrophobicContact CD2-CZ 4.35Å; F59-F71 AromaticContact CE2-CE2 3.93Å; F59-F71 HydrophobicContact CE2-CE2 3.93Å; F59-F71 HydrophobicContact CE2-CZ 4.44Å; F59-M94 HydrophobicContact CB-CE 4.22Å; F59-M94 HydrophobicContact CB-SD 4.08Å; F59-M94 HydrophobicContact CD2-CE 4.42Å; F59-M94 HydrophobicContact CG-CE 4.24Å; F59-C123 HydrophobicContact CE1-CB 4.01Å; F59-C123 HydrophobicContact CE2-CB 3.94Å; F59-C123 HydrophobicContact CZ-CB 3.6Å; F59-Y125 HydrophobicContact CZ-CD2 4.08Å; F59-Y125 HydrophobicContact CZ-CG 4.43Å; F59-I140 HydrophobicContact CE1-CG2 3.8Å; F59-I140 HydrophobicContact CZ-CG2 4.42Å; F59-C142 WeakPolarHBondContact CE1-SG 3.47Å; F59-L187 HydrophobicContact CD1-CD1 4.36Å
60	V	95.3	Very high	94.3	Very high	66 Å²	66	54.9 Å²	54.9	40%	0.4	28%	0.281	S	S	.	.	H	α-helix	trans	-55.6	-31.9	174.5	171.8	0	0	0	0	111.8	A56 R64 V68	A56-V60 VanDerWaalsContact O-CG2 3.32Å; A56-V60 WeakPolarHBondContact O-CG2 3.29Å; A56-V60 PolarHBondContact O-N 3.26Å; V60-R64 WeakPolarHBondContact O-CG 3.23Å; V60-V68 HydrophobicContact CG2-CB 4.08Å; V60-V68 HydrophobicContact CG2-CG1 4.27Å; V60-V68 HydrophobicContact CG2-CG2 4.43Å
61	T	94.8	Very high	94.4	Very high	77 Å²	77	55.2 Å²	55.2	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-81.4	-46.4	178.8	-55.3	0	0	0	0	111.9	G57 Y58 F59 R64	G57-T61 PolarHBondContact O-N 3.1Å; G57-T61 PolarHBondContact O-OG1 3.24Å; Y58-T61 WeakPolarHBondContact O-CB 3.26Å; Y58-T61 PolarHBondContact O-N 3.44Å; F59-T61 PolarHBondContact O-N 2.83Å; F59-T61 VanDerWaalsContact O-N 3.12Å; T61-R64 WeakPolarHBondContact O-CG 3.28Å
62	H	94.5	Very high	94.5	Very high	89 Å²	89	58.4 Å²	58.4	41%	0.412	30%	0.3	S	S	.	.	H	α-helix	trans	-85.5	-17.4	-171.2	-68.8	76.1	0	0	0	114.2	Y58 F59 L187	Y58-H62 AromaticContact CD1-ND1 3.81Å; Y58-H62 AromaticContact CD2-CE1 3.38Å; Y58-H62 WeakPolarHBondContact CD2-CE1 3.34Å; Y58-H62 AromaticContact CD2-ND1 3.58Å; Y58-H62 HydrophobicContact CE1-CB 4.16Å; Y58-H62 AromaticContact CE1-CG 3.76Å; Y58-H62 AromaticContact CE1-ND1 3.7Å; Y58-H62 AromaticContact CE2-CE1 3.06Å; Y58-H62 WeakPolarHBondContact CE2-CE1 3.44Å; Y58-H62 AromaticContact CE2-ND1 3.49Å; Y58-H62 WeakPolarHBondContact CE2-ND1 3.39Å; Y58-H62 AromaticContact CE2-NE2 3.41Å; Y58-H62 WeakPolarHBondContact CE2-NE2 3.47Å; Y58-H62 AromaticContact CG-ND1 3.72Å; Y58-H62 AromaticContact CZ-CD2 3.63Å; Y58-H62 AromaticContact CZ-CE1 3.45Å; Y58-H62 VanDerWaalsContact CZ-CE1 3.45Å; Y58-H62 AromaticContact CZ-CG 3.64Å; Y58-H62 AromaticContact CZ-ND1 3.52Å; Y58-H62 AromaticContact CZ-NE2 3.5Å; Y58-H62 PolarHBondContact O-N 3.49Å; Y58-H62 PolarHBondContact O-ND1 3.41Å; Y58-H62 PolarHBondContact OH-CD2 2.9Å; Y58-H62 PolarHBondContact OH-NE2 3.32Å; F59-H62 PolarHBondContact O-N 2.9Å; H62-L187 HydrophobicContact CB-CD1 4.01Å
63	L	95.5	Very high	94.4	Very high	6 Å²	6	59 Å²	59	3%	0.031	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.7	175.2	-68.3	173.8	0	0	0	113.4	F59 I66 V68 M94 C142 L186 L187	F59-L63 HydrophobicContact CB-CD1 4.1Å; F59-L63 HydrophobicContact CD1-CD1 4.48Å; F59-L63 VanDerWaalsContact O-CB 3.26Å; F59-L63 WeakPolarHBondContact O-CB 3.35Å; F59-L63 WeakPolarHBondContact O-CG 3.02Å; F59-L63 PolarHBondContact O-N 3.02Å; L63-I66 HydrophobicContact CB-CB 4.34Å; L63-I66 WeakPolarHBondContact O-CA 3.36Å; L63-I66 WeakPolarHBondContact O-CB 3.4Å; L63-I66 WeakPolarHBondContact O-CG1 3.21Å; L63-I66 PolarHBondContact O-N 2.87Å; L63-V68 HydrophobicContact CD1-CG2 4.29Å; L63-M94 HydrophobicContact CD1-CE 3.62Å; L63-M94 HydrophobicContact CD1-SD 4.38Å; L63-C142 HydrophobicContact CD2-CB 4.18Å; L63-L186 HydrophobicContact CD2-CB 4.13Å; L63-L187 HydrophobicContact CD2-CD1 3.5Å; L63-L187 VanDerWaalsContact CD2-CD1 3.5Å; L63-L187 HydrophobicContact CD2-CG 3.78Å; L63-L187 HydrophobicContact CG-CD1 3.96Å
64	R	93.8	Very high	94.4	Very high	179 Å²	179	56.2 Å²	56.2	68%	0.675	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	137.5	176.6	-70.6	-176.7	-177.2	178.5	1.2	110.4	V60 T61	V60-R64 WeakPolarHBondContact O-CG 3.23Å; T61-R64 WeakPolarHBondContact O-CG 3.28Å
65	P	93.6	Very high	94.4	Very high	59 Å²	59	51 Å²	51	38%	0.383	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87	2.5	14.9	33.9	-34.6	0	0	0	115.5	K67 P99 Y100	P65-K67 PolarHBondContact O-N 3.21Å; P65-P99 HydrophobicContact CB-CG 4.01Å; P65-P99 WeakPolarHBondContact O-CD 3.36Å; P65-P99 WeakPolarHBondContact O-CG 3.33Å; P65-Y100 HydrophobicContact CB-CE2 4.26Å; P65-Y100 HydrophobicContact CG-CE2 3.64Å
66	I	94	Very high	94.3	Very high	10 Å²	10	52 Å²	52	5%	0.051	27%	0.271	C	S	.	.	S	Bend	trans	-58.8	130.2	179.4	-58.3	167.7	0	0	0	110.1	L63 V96 C106 L108 L186	L63-I66 HydrophobicContact CB-CB 4.34Å; L63-I66 WeakPolarHBondContact O-CA 3.36Å; L63-I66 WeakPolarHBondContact O-CB 3.4Å; L63-I66 WeakPolarHBondContact O-CG1 3.21Å; L63-I66 PolarHBondContact O-N 2.87Å; I66-V96 HydrophobicContact CG2-CB 3.46Å; I66-V96 VanDerWaalsContact CG2-CB 3.46Å; I66-V96 HydrophobicContact CG2-CG1 3.9Å; I66-V96 HydrophobicContact CG2-CG2 3.8Å; I66-C106 HydrophobicContact CD1-CB 4.32Å; I66-C106 HydrophobicContact CG1-CB 3.78Å; I66-L108 HydrophobicContact CD1-CD1 4.08Å; I66-L108 HydrophobicContact CD1-CG 4.38Å; I66-L108 HydrophobicContact CG1-CD1 4.16Å; I66-L108 HydrophobicContact CG2-CD1 4.42Å; I66-L186 HydrophobicContact CD1-CD1 4.15Å; I66-L186 HydrophobicContact CD1-CD2 4.1Å
67	K	93.9	Very high	94.2	Very high	124 Å²	124	51 Å²	51	54%	0.539	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.8	174.4	-177.4	179.7	-179	179.3	0	109.3	P65 F69 V96 S97	P65-K67 PolarHBondContact O-N 3.21Å; K67-F69 HydrophobicContact CD-CE1 3.84Å; K67-F69 HydrophobicContact CD-CZ 4.13Å; K67-F69 HydrophobicContact CG-CE1 4.29Å; K67-F69 HydrophobicContact CG-CZ 4.5Å; K67-V96 CarbonylContact O-C 3.56Å; K67-V96 WeakPolarHBondContact O-CA 3.44Å; K67-V96 WeakPolarHBondContact O-CB 3.26Å; K67-S97 PolarHBondContact N-O 3.09Å; K67-S97 PolarHBondContact O-N 2.86Å
68	V	94.6	Very high	94	Very high	30 Å²	30	52.4 Å²	52.4	18%	0.182	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.2	175.4	178.3	0	0	0	0	109.3	V60 L63 D70 M94 V96	V60-V68 HydrophobicContact CG2-CB 4.08Å; V60-V68 HydrophobicContact CG2-CG1 4.27Å; V60-V68 HydrophobicContact CG2-CG2 4.43Å; L63-V68 HydrophobicContact CD1-CG2 4.29Å; V68-D70 WeakPolarHBondContact CG1-O 2.79Å; V68-M94 HydrophobicContact CG1-CB 4.13Å; V68-M94 HydrophobicContact CG1-CG 4.07Å; V68-M94 HydrophobicContact CG1-SD 3.67Å; V68-M94 HydrophobicContact CG2-SD 4.17Å; V68-V96 HydrophobicContact CG2-CG1 4.16Å
69	F	93.2	Very high	93.9	Very high	80 Å²	80	50.2 Å²	50.2	35%	0.351	25%	0.25	S	S	.	.			trans	-94.1	-36.2	-179.2	-64.7	-70.5	0	0	0	113.3	K67 N95 S97 K118	K67-F69 HydrophobicContact CD-CE1 3.84Å; K67-F69 HydrophobicContact CD-CZ 4.13Å; K67-F69 HydrophobicContact CG-CE1 4.29Å; K67-F69 HydrophobicContact CG-CZ 4.5Å; F69-N95 HydrophobicContact CB-CB 4.31Å; F69-N95 WeakPolarHBondContact CB-O 3.37Å; F69-N95 HydrophobicContact CD2-CB 4.34Å; F69-N95 WeakPolarHBondContact CD2-O 3.32Å; F69-N95 PolarHBondContact N-O 2.98Å; F69-S97 WeakPolarHBondContact CE2-OG 3.48Å; F69-S97 WeakPolarHBondContact CZ-OG 3.34Å; F69-K118 HydrophobicContact CD2-CD 3.9Å; F69-K118 HydrophobicContact CD2-CG 4.11Å; F69-K118 HydrophobicContact CE2-CD 4.13Å; F69-K118 HydrophobicContact CE2-CG 3.91Å; F69-K118 HydrophobicContact CG-CD 4.45Å
70	D	93.3	Very high	93.5	Very high	54 Å²	54	56.5 Å²	56.5	29%	0.289	28%	0.279	S	S	.	.			trans	-146.3	168.2	179.8	53.8	46.8	0	0	0	110.5	V68 M94 N95	V68-D70 WeakPolarHBondContact CG1-O 2.79Å; D70-M94 WeakPolarHBondContact O-CB 3.47Å; D70-M94 VanDerWaalsContact O-CG 3.27Å; D70-M94 WeakPolarHBondContact O-CG 3.34Å; D70-N95 PolarHBondContact OD1-N 2.87Å; D70-N95 WeakPolarHBondContact OD2-CB 3.36Å; D70-N95 PolarHBondContact OD2-ND2 2.88Å
71	F	94.2	Very high	92.9	Very high	48 Å²	48	54.5 Å²	54.5	21%	0.211	27%	0.266	C	S	.	.			trans	-141.9	103.3	175.4	-179.7	-98.2	0	0	0	108.4	V55 A56 F59 T73 I90 A92 M94	V55-F71 HydrophobicContact CG1-CZ 4Å; A56-F71 HydrophobicContact CB-CB 4.04Å; A56-F71 HydrophobicContact CB-CD1 3.59Å; A56-F71 HydrophobicContact CB-CD2 4.13Å; A56-F71 HydrophobicContact CB-CE1 3.99Å; A56-F71 HydrophobicContact CB-CG 3.65Å; A56-F71 HydrophobicContact CB-CZ 4.44Å; F59-F71 HydrophobicContact CD2-CD2 4.37Å; F59-F71 AromaticContact CD2-CE2 3.61Å; F59-F71 HydrophobicContact CD2-CE2 3.61Å; F59-F71 HydrophobicContact CD2-CZ 4.35Å; F59-F71 AromaticContact CE2-CE2 3.93Å; F59-F71 HydrophobicContact CE2-CE2 3.93Å; F59-F71 HydrophobicContact CE2-CZ 4.44Å; F71-T73 HydrophobicContact CD1-CG2 4.05Å; F71-T73 HydrophobicContact CE1-CG2 3.42Å; F71-T73 VanDerWaalsContact CE1-CG2 3.42Å; F71-T73 HydrophobicContact CZ-CG2 4.12Å; F71-I90 HydrophobicContact CZ-CG2 4.09Å; F71-A92 HydrophobicContact CD2-CB 4.16Å; F71-A92 HydrophobicContact CE1-CB 4.28Å; F71-A92 HydrophobicContact CE2-CB 3.47Å; F71-A92 VanDerWaalsContact CE2-CB 3.47Å; F71-A92 HydrophobicContact CZ-CB 3.56Å; F71-M94 HydrophobicContact CB-CG 4.41Å; F71-M94 HydrophobicContact CD2-CG 3.74Å; F71-M94 HydrophobicContact CD2-SD 3.71Å; F71-M94 HydrophobicContact CE2-SD 4.36Å
72	V	93.7	Very high	91.9	Very high	69 Å²	69	56.8 Å²	56.8	42%	0.418	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115.1	-176.3	-175.4	0	0	0	0	109	H74 A92 M93	V72-H74 PolarHBondContact O-CD2 3.22Å; V72-A92 CarbonylContact O-C 3.58Å; V72-A92 WeakPolarHBondContact O-CA 3.15Å; V72-A92 WeakPolarHBondContact O-CB 3.26Å; V72-M93 PolarHBondContact N-O 3.02Å; V72-M93 PolarHBondContact O-N 3.12Å
73	T	93.8	Very high	90.5	Very high	42 Å²	42	56.9 Å²	56.9	26%	0.258	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.1	177.9	59.1	0	0	0	0	110.7	K52 F71 I90 A92	K52-T73 HydrophobicContact CB-CG2 4.43Å; K52-T73 HydrophobicContact CD-CG2 3.93Å; K52-T73 HydrophobicContact CG-CG2 3.95Å; F71-T73 HydrophobicContact CD1-CG2 4.05Å; F71-T73 HydrophobicContact CE1-CG2 3.42Å; F71-T73 VanDerWaalsContact CE1-CG2 3.42Å; F71-T73 HydrophobicContact CZ-CG2 4.12Å; T73-I90 HydrophobicContact CG2-CG2 4.11Å; T73-A92 HydrophobicContact CG2-CB 4.47Å
74	H	92.9	Very high	89.3	Confident	26 Å²	26	58.8 Å²	58.8	12%	0.12	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-7.2	175.6	-72.5	-75.8	0	0	0	113.2	V72 Y91 E152 T153	V72-H74 PolarHBondContact O-CD2 3.22Å; H74-Y91 HydrophobicContact CB-CD1 3.47Å; H74-Y91 VanDerWaalsContact CB-CD1 3.47Å; H74-Y91 HydrophobicContact CB-CE1 3.6Å; H74-Y91 PolarHBondContact N-O 3.42Å; H74-E152 WeakPolarHBondContact O-CA 3.46Å; H74-T153 PolarHBondContact O-N 3.17Å
75	G	93.5	Very high	88.5	Confident	8 Å²	8	55.1 Å²	55.1	8%	0.082	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	143.1	172.2	0	0	0	0	0	110.9	I90 Y91 T153	G75-I90 WeakPolarHBondContact O-CA 3.29Å; G75-Y91 PolarHBondContact N-O 2.86Å; G75-Y91 PolarHBondContact O-N 3.15Å; G75-T153 WeakPolarHBondContact CA-O 3.48Å
76	Y	94.6	Very high	88.1	Confident	21 Å²	21	53.4 Å²	53.4	8%	0.082	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.7	169.8	169	-96.2	0	0	0	108.7	Y44 K48 F51 I89 I90	Y44-Y76 HydrophobicContact CE1-CE1 4.29Å; Y44-Y76 HydrophobicContact CE2-CE1 4.16Å; Y44-Y76 AromaticContact CZ-CE1 3.7Å; Y44-Y76 WeakPolarHBondContact OH-CE1 3.42Å; K48-Y76 HydrophobicContact CB-CD1 4.21Å; K48-Y76 HydrophobicContact CB-CE1 3.65Å; K48-Y76 HydrophobicContact CB-CE2 4.42Å; K48-Y76 HydrophobicContact CD-CD1 3.53Å; K48-Y76 HydrophobicContact CD-CE1 3.71Å; K48-Y76 HydrophobicContact CD-CG 4.24Å; K48-Y76 HydrophobicContact CG-CD1 3.57Å; K48-Y76 HydrophobicContact CG-CD2 4.28Å; K48-Y76 HydrophobicContact CG-CE1 3.55Å; K48-Y76 HydrophobicContact CG-CE2 4.29Å; K48-Y76 HydrophobicContact CG-CG 3.93Å; F51-Y76 HydrophobicContact CB-CE2 4.34Å; F51-Y76 HydrophobicContact CD1-CD2 4.04Å; F51-Y76 AromaticContact CD1-CE2 3.57Å; F51-Y76 HydrophobicContact CD1-CE2 3.57Å; F51-Y76 HydrophobicContact CE1-CE2 4.25Å; F51-Y76 HydrophobicContact CG-CE2 4.25Å; Y76-I89 CarbonylContact C-O 3.54Å; Y76-I89 VanDerWaalsContact CA-O 3.31Å; Y76-I89 WeakPolarHBondContact CA-O 3.23Å; Y76-I90 HydrophobicContact CD2-CD1 4.44Å; Y76-I90 HydrophobicContact CD2-CG1 3.88Å
77	G	92.7	Very high	87.9	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	148.2	170.3	0	0	0	0	0	111.8	G88 I89	G77-G88 CarbonylContact O-C 3.59Å; G77-G88 WeakPolarHBondContact O-CA 3.47Å; G77-I89 PolarHBondContact N-O 3.43Å; G77-I89 PolarHBondContact O-N 3.31Å
78	K	91.9	Very high	87.9	Confident	64 Å²	64	47.5 Å²	47.5	28%	0.278	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	95.9	169	-174.1	172.9	179.5	171.5	0	108	Y44 E47 E155	Y44-K78 HydrophobicContact CD2-CD 4.39Å; Y44-K78 HydrophobicContact CE2-CB 3.94Å; Y44-K78 HydrophobicContact CE2-CD 4.36Å; E47-K78 WeakPolarHBondContact OE1-CE 3.46Å; E47-K78 IonicContact OE1-NZ 3.57Å; E47-K78 PolarHBondContact OE1-NZ 2.9Å; E47-K78 IonicContact OE2-NZ 2.81Å; E47-K78 PolarHBondContact OE2-NZ 3.04Å; K78-E155 PolarHBondContact N-OE1 3.01Å
79	C	92.1	Very high	87.9	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.02	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.3	-173.5	-50	0	0	0	0	111.1	G86 Y87 I89 C159	C79-G86 CarbonylContact O-C 3.6Å; C79-G86 WeakPolarHBondContact O-CA 3.45Å; C79-Y87 HydrophobicContact CB-CD1 4.26Å; C79-Y87 HydrophobicContact CB-CD2 4.28Å; C79-Y87 HydrophobicContact CB-CE1 3.72Å; C79-Y87 HydrophobicContact CB-CE2 3.74Å; C79-Y87 VanDerWaalsContact CB-CZ 3.43Å; C79-Y87 PolarHBondContact N-O 3.27Å; C79-Y87 PolarHBondContact O-N 2.79Å; C79-I89 WeakPolarHBondContact SG-CG2 3.48Å; C79-C159 WeakPolarHBondContact CA-SG 3.41Å; C79-C159 HydrophobicContact CB-CB 3.77Å; C79-C159 WeakPolarHBondContact CB-SG 3.4Å; C79-C159 WeakPolarHBondContact SG-CA 3.21Å; C79-C159 WeakPolarHBondContact SG-CB 3.06Å; C79-C159 CovalentContact SG-SG 2.05Å; C79-C159 PolarHBondContact SG-SG 3.36Å
80	Q	87.4	Confident	88	Confident	131 Å²	131	42.5 Å²	42.5	61%	0.612	24%	0.238	S	C	*	.			trans	-79.5	148	176.1	-62.5	-62.7	-26.8	0	0	110.7	Q168	Q80-Q168 PolarHBondContact O-OE1 3.26Å
81	H	83.1	Confident	88.1	Confident	24 Å²	24	40.6 Å²	40.6	11%	0.111	23%	0.226	C	C	.	.			trans	-135.1	109.5	171.8	-175.1	-158.7	0	0	0	109.2	G83 R84 Y87 Q168 F196	H81-G83 PolarHBondContact O-N 3.26Å; H81-R84 HydrophobicContact CB-CB 4.48Å; H81-R84 CarbonylContact O-C 3.47Å; H81-R84 WeakPolarHBondContact O-CA 3.33Å; H81-R84 PolarHBondContact O-N 2.93Å; H81-R84 VanDerWaalsContact O-O 3.09Å; H81-Y87 HydrophobicContact CB-CD1 4.4Å; H81-Q168 VanDerWaalsContact CA-OE1 3.28Å; H81-F196 AromaticContact CE1-CD1 3.45Å; H81-F196 VanDerWaalsContact CE1-CD1 3.45Å; H81-F196 WeakPolarHBondContact CE1-CD1 3.1Å; H81-F196 AromaticContact CE1-CE1 3.76Å; H81-F196 AromaticContact CE1-CG 3.94Å
82	N	72.8	Confident	88.2	Confident	126 Å²	126	38.3 Å²	38.3	67%	0.674	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.9	118.8	-167.6	-75.6	-19.8	0	0	0	112.6	R84 Q168	N82-R84 PolarHBondContact O-N 2.87Å; N82-Q168 VanDerWaalsContact CG-NE2 3.33Å; N82-Q168 PolarHBondContact ND2-NE2 2.82Å; N82-Q168 PolarHBondContact OD1-NE2 2.66Å; N82-Q168 PolarHBondContact OD1-OE1 2.85Å; N82-Q168 VanDerWaalsContact OD1-OE1 3.1Å
83	G	65.7	Low	88.2	Confident	91 Å²	91	35.5 Å²	35.5	94%	0.938	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.4	5	177.5	0	0	0	0	0	115.2	H81	H81-G83 PolarHBondContact O-N 3.26Å
84	R	71.6	Confident	88.2	Confident	46 Å²	46	33.5 Å²	33.5	17%	0.174	19%	0.187	C	C	.	.	S	Bend	trans	-128.5	175.7	178.9	-65.2	-178.4	176.1	-133.2	2.1	110.4	H81 N82 F196 G198 T200 S201 Q202	H81-R84 HydrophobicContact CB-CB 4.48Å; H81-R84 CarbonylContact O-C 3.47Å; H81-R84 WeakPolarHBondContact O-CA 3.33Å; H81-R84 PolarHBondContact O-N 2.93Å; H81-R84 VanDerWaalsContact O-O 3.09Å; N82-R84 PolarHBondContact O-N 2.87Å; R84-F196 PolarHBondContact NH2-O 2.98Å; R84-G198 PolarHBondContact NH2-O 3.24Å; R84-T200 PolarHBondContact NH1-O 3.17Å; R84-T200 PolarHBondContact NH2-O 2.81Å; R84-T200 VanDerWaalsContact NH2-O 3.07Å; R84-S201 PolarHBondContact NH1-O 3.09Å; R84-Q202 PolarHBondContact NH1-O 3.11Å; R84-Q202 VanDerWaalsContact NH1-O 3.13Å
85	R	75.6	Confident	88.2	Confident	102 Å²	102	34.6 Å²	34.6	39%	0.385	19%	0.194	S	C	.	.			trans	-66.7	138.5	170.5	-68.4	-176	-173	-177.4	2.1	108.6	E39	E39-R85 IonicContact OE1-CZ 2.81Å; E39-R85 IonicContact OE1-NE 3.63Å; E39-R85 IonicContact OE1-NH1 3.66Å; E39-R85 PolarHBondContact OE1-NH1 2.85Å; E39-R85 IonicContact OE1-NH2 2.86Å; E39-R85 PolarHBondContact OE1-NH2 3.23Å; E39-R85 IonicContact OE2-CZ 2.98Å; E39-R85 IonicContact OE2-NE 3Å; E39-R85 IonicContact OE2-NH1 3.26Å; E39-R85 IonicContact OE2-NH2 3.35Å; E39-R85 PolarHBondContact OE2-NH2 2.87Å
86	G	84.7	Confident	88.2	Confident	22 Å²	22	34.2 Å²	34.2	23%	0.227	19%	0.19	C	C	.	.			trans	-61.4	165.8	169	0	0	0	0	0	111.4	C79	C79-G86 CarbonylContact O-C 3.6Å; C79-G86 WeakPolarHBondContact O-CA 3.45Å
87	Y	90.5	Very high	88.1	Confident	3 Å²	3	34.6 Å²	34.6	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152.3	178.3	64.2	-88.2	0	0	0	110.3	C79 H81 I89 G127 F138 Q168 P170	C79-Y87 HydrophobicContact CB-CD1 4.26Å; C79-Y87 HydrophobicContact CB-CD2 4.28Å; C79-Y87 HydrophobicContact CB-CE1 3.72Å; C79-Y87 HydrophobicContact CB-CE2 3.74Å; C79-Y87 VanDerWaalsContact CB-CZ 3.43Å; C79-Y87 PolarHBondContact N-O 3.27Å; C79-Y87 PolarHBondContact O-N 2.79Å; H81-Y87 HydrophobicContact CB-CD1 4.4Å; Y87-I89 HydrophobicContact CE2-CB 4.34Å; Y87-G127 WeakPolarHBondContact CB-O 3.42Å; Y87-F138 HydrophobicContact CD1-CD2 4.09Å; Y87-F138 AromaticContact CD1-CE2 3.79Å; Y87-F138 HydrophobicContact CD1-CE2 3.79Å; Y87-F138 HydrophobicContact CD2-CD2 4.22Å; Y87-F138 AromaticContact CG-CD2 3.81Å; Y87-F138 HydrophobicContact CG-CD2 3.81Å; Y87-F138 AromaticContact CG-CE2 3.74Å; Y87-F138 HydrophobicContact CG-CE2 3.74Å; Y87-Q168 WeakPolarHBondContact CE1-O 3.49Å; Y87-Q168 PolarHBondContact OH-O 3.04Å; Y87-P170 HydrophobicContact CD2-CG 4.44Å; Y87-P170 HydrophobicContact CE2-CB 3.92Å; Y87-P170 HydrophobicContact CE2-CG 3.77Å; Y87-P170 WeakPolarHBondContact OH-CD 3.43Å
88	G	93.2	Very high	88	Confident	7 Å²	7	35.4 Å²	35.4	7%	0.072	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	144.6	171	0	0	0	0	0	110.3	F51 G77 S126 G127	F51-G88 VanDerWaalsContact CZ-C 3.49Å; F51-G88 WeakPolarHBondContact CZ-O 3.42Å; G77-G88 CarbonylContact O-C 3.59Å; G77-G88 WeakPolarHBondContact O-CA 3.47Å; G88-S126 VanDerWaalsContact O-CA 3.23Å; G88-S126 WeakPolarHBondContact O-CA 3.44Å; G88-G127 PolarHBondContact N-O 3.24Å; G88-G127 PolarHBondContact O-N 2.88Å
89	I	95.4	Very high	87.8	Confident	6 Å²	6	36.2 Å²	36.2	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.7	169.7	-171.7	167.8	0	0	0	109.7	Y76 G77 C79 Y87 Y125 L158 W162 P170	Y76-I89 CarbonylContact C-O 3.54Å; Y76-I89 VanDerWaalsContact CA-O 3.31Å; Y76-I89 WeakPolarHBondContact CA-O 3.23Å; G77-I89 PolarHBondContact N-O 3.43Å; G77-I89 PolarHBondContact O-N 3.31Å; C79-I89 WeakPolarHBondContact SG-CG2 3.48Å; Y87-I89 HydrophobicContact CE2-CB 4.34Å; I89-Y125 CarbonylContact C-O 3.47Å; I89-Y125 VanDerWaalsContact CA-O 3.25Å; I89-Y125 WeakPolarHBondContact CA-O 3.33Å; I89-Y125 WeakPolarHBondContact CG1-O 3.16Å; I89-L158 HydrophobicContact CD1-CB 4.4Å; I89-L158 HydrophobicContact CG2-CB 3.63Å; I89-L158 HydrophobicContact CG2-CD1 4.21Å; I89-L158 HydrophobicContact CG2-CG 4.42Å; I89-W162 HydrophobicContact CD1-CE3 3.92Å; I89-P170 HydrophobicContact CD1-CB 4.26Å
90	I	95.6	Very high	87.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.6	178	-74.8	170.3	0	0	0	109.7	F51 K52 V55 F71 T73 G75 Y76 A92 Q124 Y125	F51-I90 HydrophobicContact CD1-CD1 3.43Å; F51-I90 VanDerWaalsContact CD1-CD1 3.43Å; F51-I90 HydrophobicContact CD1-CG1 3.92Å; F51-I90 HydrophobicContact CE1-CD1 3.61Å; F51-I90 HydrophobicContact CE1-CG1 3.78Å; K52-I90 HydrophobicContact CB-CD1 4.24Å; K52-I90 HydrophobicContact CG-CD1 3.79Å; V55-I90 HydrophobicContact CB-CD1 4Å; V55-I90 HydrophobicContact CG1-CD1 4.17Å; V55-I90 HydrophobicContact CG2-CD1 4.04Å; F71-I90 HydrophobicContact CZ-CG2 4.09Å; T73-I90 HydrophobicContact CG2-CG2 4.11Å; G75-I90 WeakPolarHBondContact O-CA 3.29Å; Y76-I90 HydrophobicContact CD2-CD1 4.44Å; Y76-I90 HydrophobicContact CD2-CG1 3.88Å; I90-A92 HydrophobicContact CG2-CB 3.79Å; I90-Q124 WeakPolarHBondContact O-CA 3.39Å; I90-Y125 PolarHBondContact N-O 3.02Å; I90-Y125 PolarHBondContact O-N 3.25Å
91	Y	95.3	Very high	87.5	Confident	13 Å²	13	43.8 Å²	43.8	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.9	162.2	171.3	-111.9	0	0	0	108.3	H74 G75 M93 E122 Q124 K151 W162	H74-Y91 HydrophobicContact CB-CD1 3.47Å; H74-Y91 VanDerWaalsContact CB-CD1 3.47Å; H74-Y91 HydrophobicContact CB-CE1 3.6Å; H74-Y91 PolarHBondContact N-O 3.42Å; G75-Y91 PolarHBondContact N-O 2.86Å; G75-Y91 PolarHBondContact O-N 3.15Å; Y91-M93 HydrophobicContact CE1-CE 4.29Å; Y91-M93 VanDerWaalsContact OH-CE 3.26Å; Y91-M93 WeakPolarHBondContact OH-CE 3.5Å; Y91-E122 HydrophobicContact CD2-CG 4.32Å; Y91-E122 HydrophobicContact CE2-CG 3.45Å; Y91-E122 VanDerWaalsContact CE2-CG 3.45Å; Y91-E122 WeakPolarHBondContact CE2-OE1 3.43Å; Y91-E122 PolarHBondContact OH-OE2 2.83Å; Y91-Q124 HydrophobicContact CD2-CG 4.03Å; Y91-K151 WeakPolarHBondContact CE1-O 3.33Å; Y91-W162 AromaticContact CD2-CH2 3.93Å; Y91-W162 HydrophobicContact CD2-CH2 3.93Å; Y91-W162 HydrophobicContact CG-CH2 4.18Å
92	A	95.6	Very high	87.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.7	-172.3	0	0	0	0	0	112.6	F71 V72 T73 I90 C123	F71-A92 HydrophobicContact CD2-CB 4.16Å; F71-A92 HydrophobicContact CE1-CB 4.28Å; F71-A92 HydrophobicContact CE2-CB 3.47Å; F71-A92 VanDerWaalsContact CE2-CB 3.47Å; F71-A92 HydrophobicContact CZ-CB 3.56Å; V72-A92 CarbonylContact O-C 3.58Å; V72-A92 WeakPolarHBondContact O-CA 3.15Å; V72-A92 WeakPolarHBondContact O-CB 3.26Å; T73-A92 HydrophobicContact CG2-CB 4.47Å; I90-A92 HydrophobicContact CG2-CB 3.79Å; A92-C123 PolarHBondContact N-O 3.28Å; A92-C123 PolarHBondContact O-N 2.93Å
93	M	94.2	Very high	88.3	Confident	10 Å²	10	40.8 Å²	40.8	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.8	171.4	-65	-176	-162	0	0	110.1	V72 Y91 V120 V121 E122 K145 L150	V72-M93 PolarHBondContact N-O 3.02Å; V72-M93 PolarHBondContact O-N 3.12Å; Y91-M93 HydrophobicContact CE1-CE 4.29Å; Y91-M93 VanDerWaalsContact OH-CE 3.26Å; Y91-M93 WeakPolarHBondContact OH-CE 3.5Å; M93-V120 HydrophobicContact CB-CG1 4.5Å; M93-V121 CarbonylContact C-O 3.5Å; M93-V121 WeakPolarHBondContact CA-O 3.49Å; M93-E122 HydrophobicContact CG-CG 4.48Å; M93-K145 HydrophobicContact CE-CD 4.24Å; M93-K145 HydrophobicContact SD-CD 4.37Å; M93-L150 HydrophobicContact CE-CD2 4.12Å; M93-L150 HydrophobicContact SD-CD2 3.55Å; M93-L150 VanDerWaalsContact SD-CD2 3.55Å
94	M	94.1	Very high	89.3	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.3	-179.7	-65	178.2	-75.7	0	0	109.6	F59 L63 V68 D70 F71 V96 V120 V121 C123	F59-M94 HydrophobicContact CB-CE 4.22Å; F59-M94 HydrophobicContact CB-SD 4.08Å; F59-M94 HydrophobicContact CD2-CE 4.42Å; F59-M94 HydrophobicContact CG-CE 4.24Å; L63-M94 HydrophobicContact CD1-CE 3.62Å; L63-M94 HydrophobicContact CD1-SD 4.38Å; V68-M94 HydrophobicContact CG1-CB 4.13Å; V68-M94 HydrophobicContact CG1-CG 4.07Å; V68-M94 HydrophobicContact CG1-SD 3.67Å; V68-M94 HydrophobicContact CG2-SD 4.17Å; D70-M94 WeakPolarHBondContact O-CB 3.47Å; D70-M94 VanDerWaalsContact O-CG 3.27Å; D70-M94 WeakPolarHBondContact O-CG 3.34Å; F71-M94 HydrophobicContact CB-CG 4.41Å; F71-M94 HydrophobicContact CD2-CG 3.74Å; F71-M94 HydrophobicContact CD2-SD 3.71Å; F71-M94 HydrophobicContact CE2-SD 4.36Å; M94-V96 HydrophobicContact CB-CG1 4.03Å; M94-V120 WeakPolarHBondContact O-CA 3.39Å; M94-V121 HydrophobicContact CE-CG1 4.15Å; M94-V121 PolarHBondContact N-O 2.97Å; M94-V121 PolarHBondContact O-N 3.27Å; M94-C123 HydrophobicContact CE-CB 4.03Å; M94-C123 WeakPolarHBondContact CE-SG 3.4Å
95	N	92.7	Very high	90.1	Very high	49 Å²	49	43.4 Å²	43.4	26%	0.262	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.5	160.9	-70.4	-54	0	0	0	109.3	F69 D70 K118 M119	F69-N95 HydrophobicContact CB-CB 4.31Å; F69-N95 WeakPolarHBondContact CB-O 3.37Å; F69-N95 HydrophobicContact CD2-CB 4.34Å; F69-N95 WeakPolarHBondContact CD2-O 3.32Å; F69-N95 PolarHBondContact N-O 2.98Å; D70-N95 PolarHBondContact OD1-N 2.87Å; D70-N95 WeakPolarHBondContact OD2-CB 3.36Å; D70-N95 PolarHBondContact OD2-ND2 2.88Å; N95-K118 HydrophobicContact CB-CB 4.3Å; N95-K118 HydrophobicContact CB-CD 4.15Å; N95-M119 CarbonylContact C-O 3.57Å; N95-M119 WeakPolarHBondContact CA-O 3.31Å
96	V	93.6	Very high	90.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	161.5	-176	-53.4	0	0	0	0	113.1	I66 K67 V68 M94 L108 M119 V121	I66-V96 HydrophobicContact CG2-CB 3.46Å; I66-V96 VanDerWaalsContact CG2-CB 3.46Å; I66-V96 HydrophobicContact CG2-CG1 3.9Å; I66-V96 HydrophobicContact CG2-CG2 3.8Å; K67-V96 CarbonylContact O-C 3.56Å; K67-V96 WeakPolarHBondContact O-CA 3.44Å; K67-V96 WeakPolarHBondContact O-CB 3.26Å; V68-V96 HydrophobicContact CG2-CG1 4.16Å; M94-V96 HydrophobicContact CB-CG1 4.03Å; V96-L108 HydrophobicContact CG2-CD1 4.1Å; V96-M119 HydrophobicContact CG2-CB 3.96Å; V96-M119 PolarHBondContact N-O 2.89Å; V96-M119 PolarHBondContact O-N 2.85Å; V96-V121 HydrophobicContact CG1-CB 4.23Å; V96-V121 HydrophobicContact CG1-CG2 4.09Å; V96-V121 HydrophobicContact CG2-CB 4.49Å; V96-V121 HydrophobicContact CG2-CG2 3.58Å
97	S	91.8	Very high	91	Very high	28 Å²	28	42.2 Å²	42.2	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.2	166.5	62.4	0	0	0	0	110.9	K67 F69	K67-S97 PolarHBondContact N-O 3.09Å; K67-S97 PolarHBondContact O-N 2.86Å; F69-S97 WeakPolarHBondContact CE2-OG 3.48Å; F69-S97 WeakPolarHBondContact CZ-OG 3.34Å
98	C	90.6	Very high	91	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.115	23%	0.23	C	C	.	.			trans	-81.6	134.4	164.7	-169.8	0	0	0	0	108.9	Y100 A103 C106 L108 M119	C98-Y100 PolarHBondContact O-N 3Å; C98-Y100 VanDerWaalsContact SG-CD2 3.55Å; C98-A103 HydrophobicContact CB-CB 4.45Å; C98-C106 WeakPolarHBondContact CA-SG 3.28Å; C98-C106 HydrophobicContact CB-CB 3.68Å; C98-C106 WeakPolarHBondContact CB-SG 3.37Å; C98-C106 WeakPolarHBondContact SG-CB 3.4Å; C98-C106 CovalentContact SG-SG 2.04Å; C98-C106 PolarHBondContact SG-SG 2.92Å; C98-L108 HydrophobicContact CB-CD1 4.45Å; C98-M119 HydrophobicContact CB-CE 4.26Å
99	P	88.9	Confident	90.6	Very high	81 Å²	81	47 Å²	47	53%	0.526	25%	0.25	S	S	.	.	S	Bend	trans	-77.4	-3.2	178.8	32	-36.1	0	0	0	113.9	P65	P65-P99 HydrophobicContact CB-CG 4.01Å; P65-P99 WeakPolarHBondContact O-CD 3.36Å; P65-P99 WeakPolarHBondContact O-CG 3.33Å
100	Y	88	Confident	89.6	Confident	115 Å²	115	50.5 Å²	50.5	45%	0.451	27%	0.269	S	S	.	.	S	Bend	trans	-99.1	155.5	178.5	-51.2	-63.5	0	0	0	110.7	P65 C98 D102 L105	P65-Y100 HydrophobicContact CB-CE2 4.26Å; P65-Y100 HydrophobicContact CG-CE2 3.64Å; C98-Y100 PolarHBondContact O-N 3Å; C98-Y100 VanDerWaalsContact SG-CD2 3.55Å; Y100-D102 PolarHBondContact O-N 2.79Å; Y100-L105 HydrophobicContact CD1-CD1 4.44Å; Y100-L105 HydrophobicContact CD2-CB 3.53Å; Y100-L105 HydrophobicContact CD2-CD1 4.09Å; Y100-L105 HydrophobicContact CD2-CG 4.48Å; Y100-L105 HydrophobicContact CE2-CB 4.14Å; Y100-L105 HydrophobicContact CG-CB 4.14Å; Y100-L105 HydrophobicContact CG-CD1 3.85Å
101	D	83.6	Confident	88.2	Confident	179 Å²	179	53.3 Å²	53.3	96%	0.957	29%	0.287	S	S	*	.	S	Bend	trans	-61.6	-28.2	175.2	-60	-31.1	0	0	0	112.1
102	D	85.3	Confident	86.5	Confident	79 Å²	79	59 Å²	59	42%	0.422	31%	0.313	S	S	.	.	S	Bend	trans	-106.2	110.4	175.9	-174	-12.2	0	0	0	110.5	Y100 T104 L105	Y100-D102 PolarHBondContact O-N 2.79Å; D102-T104 PolarHBondContact O-N 2.89Å; D102-T104 VanDerWaalsContact OD1-CB 3.26Å; D102-T104 WeakPolarHBondContact OD1-CB 3.43Å; D102-T104 VanDerWaalsContact OD1-CG2 3.29Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.09Å; D102-T104 PolarHBondContact OD1-N 3.01Å; D102-T104 PolarHBondContact OD1-OG1 3.17Å; D102-T104 PolarHBondContact OD2-OG1 3.18Å; D102-L105 HydrophobicContact CB-CD1 4.21Å; D102-L105 HydrophobicContact CB-CG 4.27Å; D102-L105 WeakPolarHBondContact O-CB 3.41Å; D102-L105 PolarHBondContact O-N 2.8Å
103	A	87.3	Confident	84.3	Confident	8 Å²	8	67.1 Å²	67.1	7%	0.066	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-60.9	-23.5	178.9	0	0	0	0	0	113.2	C98 L105 C106 L108 D110 M119	C98-A103 HydrophobicContact CB-CB 4.45Å; A103-L105 PolarHBondContact O-N 2.82Å; A103-C106 CarbonylContact O-C 3.57Å; A103-C106 WeakPolarHBondContact O-CA 3.3Å; A103-C106 WeakPolarHBondContact O-CB 3.3Å; A103-C106 PolarHBondContact O-N 2.93Å; A103-L108 CarbonylContact C-O 3.5Å; A103-L108 HydrophobicContact CB-CB 4.16Å; A103-L108 PolarHBondContact O-N 2.85Å; A103-D110 HydrophobicContact CB-CB 4.3Å; A103-M119 HydrophobicContact CB-CE 4.43Å; A103-M119 HydrophobicContact CB-SD 4.21Å
104	T	87	Confident	82.2	Confident	79 Å²	79	71.4 Å²	71.4	49%	0.485	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-66.7	-23.3	179.6	70.3	0	0	0	0	112.3	D102 C106 N107 L108	D102-T104 PolarHBondContact O-N 2.89Å; D102-T104 VanDerWaalsContact OD1-CB 3.26Å; D102-T104 WeakPolarHBondContact OD1-CB 3.43Å; D102-T104 VanDerWaalsContact OD1-CG2 3.29Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.09Å; D102-T104 PolarHBondContact OD1-N 3.01Å; D102-T104 PolarHBondContact OD1-OG1 3.17Å; D102-T104 PolarHBondContact OD2-OG1 3.18Å; T104-C106 PolarHBondContact O-N 2.5Å; T104-N107 WeakPolarHBondContact O-CA 3.34Å; T104-N107 PolarHBondContact O-N 2.98Å; T104-L108 WeakPolarHBondContact CA-O 3.49Å; T104-L108 PolarHBondContact N-O 2.83Å
105	L	89	Confident	80.2	Confident	113 Å²	113	75 Å²	75	59%	0.592	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-65.2	-20.2	171.2	-65.3	174.1	0	0	0	112.7	Y100 D102 A103	Y100-L105 HydrophobicContact CD1-CD1 4.44Å; Y100-L105 HydrophobicContact CD2-CB 3.53Å; Y100-L105 HydrophobicContact CD2-CD1 4.09Å; Y100-L105 HydrophobicContact CD2-CG 4.48Å; Y100-L105 HydrophobicContact CE2-CB 4.14Å; Y100-L105 HydrophobicContact CG-CB 4.14Å; Y100-L105 HydrophobicContact CG-CD1 3.85Å; D102-L105 HydrophobicContact CB-CD1 4.21Å; D102-L105 HydrophobicContact CB-CG 4.27Å; D102-L105 WeakPolarHBondContact O-CB 3.41Å; D102-L105 PolarHBondContact O-N 2.8Å; A103-L105 PolarHBondContact O-N 2.82Å
106	C	90.1	Very high	78.3	Confident	7 Å²	7	78 Å²	78	5%	0.047	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-99.2	11.1	170	-65.5	0	0	0	0	113	I66 C98 A103 T104 L108 L186	I66-C106 HydrophobicContact CD1-CB 4.32Å; I66-C106 HydrophobicContact CG1-CB 3.78Å; C98-C106 WeakPolarHBondContact CA-SG 3.28Å; C98-C106 HydrophobicContact CB-CB 3.68Å; C98-C106 WeakPolarHBondContact CB-SG 3.37Å; C98-C106 WeakPolarHBondContact SG-CB 3.4Å; C98-C106 CovalentContact SG-SG 2.04Å; C98-C106 PolarHBondContact SG-SG 2.92Å; A103-C106 CarbonylContact O-C 3.57Å; A103-C106 WeakPolarHBondContact O-CA 3.3Å; A103-C106 WeakPolarHBondContact O-CB 3.3Å; A103-C106 PolarHBondContact O-N 2.93Å; T104-C106 PolarHBondContact O-N 2.5Å; C106-L108 HydrophobicContact CB-CD1 3.97Å; C106-L108 HydrophobicContact CB-CG 4.15Å; C106-L108 PolarHBondContact O-N 3.3Å; C106-L186 WeakPolarHBondContact O-CD2 3.16Å
107	N	90	Very high	77	Confident	91 Å²	91	80.6 Å²	80.6	49%	0.487	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	31.3	-171.1	-71.4	-28.9	0	0	0	112.6	T104 N184 L186	T104-N107 WeakPolarHBondContact O-CA 3.34Å; T104-N107 PolarHBondContact O-N 2.98Å; N107-N184 WeakPolarHBondContact CB-ND2 3.19Å; N107-N184 PolarHBondContact O-ND2 2.04Å; N107-L186 HydrophobicContact CB-CD2 3.82Å; N107-L186 WeakPolarHBondContact O-CD2 3.49Å
108	L	89.6	Confident	76.6	Confident	2 Å²	2	83.7 Å²	83.7	1%	0.01	46%	0.462	C	S	.	.			trans	-111.2	154.8	174.9	-64.7	169.5	0	0	0	109.8	I66 V96 C98 A103 T104 C106 M119 V121 Q144 L186	I66-L108 HydrophobicContact CD1-CD1 4.08Å; I66-L108 HydrophobicContact CD1-CG 4.38Å; I66-L108 HydrophobicContact CG1-CD1 4.16Å; I66-L108 HydrophobicContact CG2-CD1 4.42Å; V96-L108 HydrophobicContact CG2-CD1 4.1Å; C98-L108 HydrophobicContact CB-CD1 4.45Å; A103-L108 CarbonylContact C-O 3.5Å; A103-L108 HydrophobicContact CB-CB 4.16Å; A103-L108 PolarHBondContact O-N 2.85Å; T104-L108 WeakPolarHBondContact CA-O 3.49Å; T104-L108 PolarHBondContact N-O 2.83Å; C106-L108 HydrophobicContact CB-CD1 3.97Å; C106-L108 HydrophobicContact CB-CG 4.15Å; C106-L108 PolarHBondContact O-N 3.3Å; L108-M119 HydrophobicContact CB-CE 4.48Å; L108-M119 HydrophobicContact CB-SD 3.6Å; L108-M119 HydrophobicContact CD1-CE 3.77Å; L108-M119 HydrophobicContact CD1-SD 3.77Å; L108-M119 HydrophobicContact CG-SD 4.18Å; L108-V121 HydrophobicContact CD2-CG2 4.12Å; L108-Q144 HydrophobicContact CD2-CB 3.97Å; L108-Q144 HydrophobicContact CD2-CG 4.33Å; L108-L186 HydrophobicContact CD2-CD1 3.86Å; L108-L186 HydrophobicContact CD2-CD2 4.01Å; L108-L186 HydrophobicContact CD2-CG 4.47Å; L108-L186 HydrophobicContact CG-CD2 4.37Å
109	Q	85.1	Confident	76.5	Confident	108 Å²	108	83.4 Å²	83.4	51%	0.505	46%	0.459	S	S	.	.			trans	-100.5	129.1	171.4	-67.1	-177.6	-6.6	0	0	108.8	T111 Q144	Q109-T111 PolarHBondContact O-N 3.04Å; Q109-Q144 PolarHBondContact O-NE2 3.35Å; Q109-Q144 PolarHBondContact O-OE1 2.99Å
110	D	74.5	Confident	76.7	Confident	80 Å²	80	80.3 Å²	80.3	43%	0.428	44%	0.438	S	S	.	.			trans	-65.1	132.9	176.4	-161.7	-3.8	0	0	0	110.2	A103 Q112	A103-D110 HydrophobicContact CB-CB 4.3Å; D110-Q112 PolarHBondContact OD1-N 2.68Å; D110-Q112 VanDerWaalsContact OD1-O 3.08Å
111	T	65.4	Low	77	Confident	60 Å²	60	74.8 Å²	74.8	37%	0.368	42%	0.417	S	S	.	.	S	Bend	trans	-87.6	-28.3	-177	46.8	0	0	0	0	112.1	Q109 D117	Q109-T111 PolarHBondContact O-N 3.04Å; T111-D117 PolarHBondContact OG1-OD2 3.27Å
112	Q	59.7	Low	77.6	Confident	131 Å²	131	66.9 Å²	66.9	61%	0.612	37%	0.374	S	S	*	.	S	Bend	trans	-160.4	146.4	175.5	-61.9	-169.4	6.3	0	0	109.5	D110 D114	D110-Q112 PolarHBondContact OD1-N 2.68Å; D110-Q112 VanDerWaalsContact OD1-O 3.08Å; Q112-D114 CarbonylContact O-C 3.51Å; Q112-D114 PolarHBondContact O-N 2.87Å
113	N	50	Low	78.1	Confident	171 Å²	171	63.1 Å²	63.1	91%	0.914	35%	0.354	S	S	*	.	S	Bend	trans	-55.6	1.6	179.4	-78.8	-12	0	0	0	116.4
114	D	49.6	Very low	78.6	Confident	100 Å²	100	63 Å²	63	54%	0.535	35%	0.352	S	S	.	.	S	Bend	trans	-95.1	96.6	171.5	-159.6	-20	0	0	0	106.9	Q112 T116 D117	Q112-D114 CarbonylContact O-C 3.51Å; Q112-D114 PolarHBondContact O-N 2.87Å; D114-T116 PolarHBondContact O-N 2.76Å; D114-T116 PolarHBondContact OD1-OG1 2.81Å; D114-D117 PolarHBondContact O-N 3.16Å; D114-D117 VanDerWaalsContact O-N 3.09Å
115	G	51.5	Low	79.1	Confident	77 Å²	77	59.3 Å²	59.3	79%	0.794	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	18.3	-177.2	0	0	0	0	0	115.6
116	T	53.5	Low	79.4	Confident	112 Å²	112	54 Å²	54	69%	0.687	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-12.4	173.5	59.1	0	0	0	0	113.2	D114	D114-T116 PolarHBondContact O-N 2.76Å; D114-T116 PolarHBondContact OD1-OG1 2.81Å
117	D	66.2	Low	79.5	Confident	55 Å²	55	53.7 Å²	53.7	29%	0.294	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-73.3	134.6	-176.9	-154.4	8.9	0	0	0	111.7	T111 D114 R148	T111-D117 PolarHBondContact OG1-OD2 3.27Å; D114-D117 PolarHBondContact O-N 3.16Å; D114-D117 VanDerWaalsContact O-N 3.09Å; D117-R148 IonicContact OD1-NH2 3.73Å
118	K	83.3	Confident	79.3	Confident	93 Å²	93	49.9 Å²	49.9	40%	0.404	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-82.1	123.9	179.1	-66.5	-179.7	-179.3	177.3	0	108.3	F69 N95	F69-K118 HydrophobicContact CD2-CD 3.9Å; F69-K118 HydrophobicContact CD2-CG 4.11Å; F69-K118 HydrophobicContact CE2-CD 4.13Å; F69-K118 HydrophobicContact CE2-CG 3.91Å; F69-K118 HydrophobicContact CG-CD 4.45Å; N95-K118 HydrophobicContact CB-CB 4.3Å; N95-K118 HydrophobicContact CB-CD 4.15Å
119	M	89.7	Confident	78.8	Confident	10 Å²	10	51.3 Å²	51.3	5%	0.049	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	151.7	172.7	-67.6	163.2	-80.1	0	0	109.6	N95 V96 C98 A103 L108	N95-M119 CarbonylContact C-O 3.57Å; N95-M119 WeakPolarHBondContact CA-O 3.31Å; V96-M119 HydrophobicContact CG2-CB 3.96Å; V96-M119 PolarHBondContact N-O 2.89Å; V96-M119 PolarHBondContact O-N 2.85Å; C98-M119 HydrophobicContact CB-CE 4.26Å; A103-M119 HydrophobicContact CB-CE 4.43Å; A103-M119 HydrophobicContact CB-SD 4.21Å; L108-M119 HydrophobicContact CB-CE 4.48Å; L108-M119 HydrophobicContact CB-SD 3.6Å; L108-M119 HydrophobicContact CD1-CE 3.77Å; L108-M119 HydrophobicContact CD1-SD 3.77Å; L108-M119 HydrophobicContact CG-SD 4.18Å
120	V	92	Very high	78.2	Confident	16 Å²	16	50.5 Å²	50.5	10%	0.097	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.2	177.2	-177.9	0	0	0	0	109	M93 M94 Q144 K145 R148	M93-V120 HydrophobicContact CB-CG1 4.5Å; M94-V120 WeakPolarHBondContact O-CA 3.39Å; V120-Q144 WeakPolarHBondContact O-CA 3.42Å; V120-K145 HydrophobicContact CG1-CB 4.3Å; V120-K145 PolarHBondContact O-N 3.17Å; V120-R148 HydrophobicContact CG2-CG 4.46Å
121	V	94.7	Very high	78.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.8	172.6	171	0	0	0	0	108.8	M93 M94 V96 L108 C142 Y143 L186	M93-V121 CarbonylContact C-O 3.5Å; M93-V121 WeakPolarHBondContact CA-O 3.49Å; M94-V121 HydrophobicContact CE-CG1 4.15Å; M94-V121 PolarHBondContact N-O 2.97Å; M94-V121 PolarHBondContact O-N 3.27Å; V96-V121 HydrophobicContact CG1-CB 4.23Å; V96-V121 HydrophobicContact CG1-CG2 4.09Å; V96-V121 HydrophobicContact CG2-CB 4.49Å; V96-V121 HydrophobicContact CG2-CG2 3.58Å; L108-V121 HydrophobicContact CD2-CG2 4.12Å; V121-C142 HydrophobicContact CG1-CB 4.14Å; V121-Y143 CarbonylContact C-O 3.4Å; V121-Y143 WeakPolarHBondContact CA-O 3.49Å; V121-L186 HydrophobicContact CB-CD1 4.41Å; V121-L186 HydrophobicContact CG1-CD1 3.84Å; V121-L186 HydrophobicContact CG2-CD1 3.59Å
122	E	95.4	Very high	78.4	Confident	13 Å²	13	51.6 Å²	51.6	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.1	172	-174.6	174.4	106.5	0	0	109	Y91 M93 C142 Y143 K145	Y91-E122 HydrophobicContact CD2-CG 4.32Å; Y91-E122 HydrophobicContact CE2-CG 3.45Å; Y91-E122 VanDerWaalsContact CE2-CG 3.45Å; Y91-E122 WeakPolarHBondContact CE2-OE1 3.43Å; Y91-E122 PolarHBondContact OH-OE2 2.83Å; M93-E122 HydrophobicContact CG-CG 4.48Å; E122-C142 WeakPolarHBondContact O-CA 3.44Å; E122-Y143 HydrophobicContact CB-CD2 4.18Å; E122-Y143 HydrophobicContact CB-CE2 3.77Å; E122-Y143 HydrophobicContact CG-CE2 4.09Å; E122-Y143 PolarHBondContact N-O 3.36Å; E122-Y143 PolarHBondContact O-N 2.95Å; E122-Y143 WeakPolarHBondContact OE1-CE2 3.38Å; E122-Y143 VanDerWaalsContact OE1-CZ 3.24Å; E122-Y143 PolarHBondContact OE1-OH 3.41Å; E122-K145 HydrophobicContact CB-CB 4.27Å; E122-K145 HydrophobicContact CB-CD 4.3Å; E122-K145 WeakPolarHBondContact OE2-CD 3.44Å; E122-K145 WeakPolarHBondContact OE2-CE 3.49Å; E122-K145 IonicContact OE2-NZ 2.84Å; E122-K145 PolarHBondContact OE2-NZ 3.35Å
123	C	97	Very high	79.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.1	179.8	-67.9	0	0	0	0	112.8	F59 A92 M94 A141 C142	F59-C123 HydrophobicContact CE1-CB 4.01Å; F59-C123 HydrophobicContact CE2-CB 3.94Å; F59-C123 HydrophobicContact CZ-CB 3.6Å; A92-C123 PolarHBondContact N-O 3.28Å; A92-C123 PolarHBondContact O-N 2.93Å; M94-C123 HydrophobicContact CE-CB 4.03Å; M94-C123 WeakPolarHBondContact CE-SG 3.4Å; C123-A141 CarbonylContact C-O 3.53Å; C123-A141 WeakPolarHBondContact CA-O 3.36Å; C123-C142 HydrophobicContact CB-CB 4.23Å; C123-C142 WeakPolarHBondContact CB-SG 3.14Å; C123-C142 WeakPolarHBondContact SG-CB 3.41Å; C123-C142 CovalentContact SG-SG 2.04Å; C123-C142 PolarHBondContact SG-SG 2.77Å
124	Q	97	Very high	80.6	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.019	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.4	171.1	-62.9	172	37	0	0	108.1	I90 Y91 I140 A141 Y143 W162 L172 Q173	I90-Q124 WeakPolarHBondContact O-CA 3.39Å; Y91-Q124 HydrophobicContact CD2-CG 4.03Å; Q124-I140 VanDerWaalsContact O-CA 3.3Å; Q124-I140 WeakPolarHBondContact O-CA 3.45Å; Q124-A141 HydrophobicContact CB-CB 4.44Å; Q124-A141 PolarHBondContact N-O 2.05Å; Q124-A141 PolarHBondContact O-N 2.85Å; Q124-Y143 PolarHBondContact NE2-OH 3.49Å; Q124-W162 HydrophobicContact CB-CZ3 4.4Å; Q124-W162 HydrophobicContact CG-CH2 4Å; Q124-W162 HydrophobicContact CG-CZ3 3.77Å; Q124-W162 VanDerWaalsContact OE1-CZ3 3.31Å; Q124-L172 HydrophobicContact CB-CD2 3.78Å; Q124-Q173 PolarHBondContact NE2-O 3.25Å
125	Y	97	Very high	82	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.8	177.8	-174.8	-83.8	0	0	0	109.7	F51 V55 Y58 F59 I89 I90 L134 P137 A139 I140	F51-Y125 HydrophobicContact CE1-CD1 4.32Å; F51-Y125 HydrophobicContact CE2-CE1 4.15Å; F51-Y125 AromaticContact CZ-CD1 3.78Å; F51-Y125 HydrophobicContact CZ-CD1 3.78Å; F51-Y125 AromaticContact CZ-CE1 3.76Å; F51-Y125 HydrophobicContact CZ-CE1 3.76Å; V55-Y125 HydrophobicContact CB-CD1 4.48Å; V55-Y125 HydrophobicContact CB-CG 4.5Å; V55-Y125 HydrophobicContact CG1-CD1 4.12Å; V55-Y125 HydrophobicContact CG1-CD2 4.03Å; V55-Y125 HydrophobicContact CG1-CG 3.71Å; V55-Y125 HydrophobicContact CG2-CD1 3.47Å; V55-Y125 VanDerWaalsContact CG2-CD1 3.47Å; V55-Y125 HydrophobicContact CG2-CD2 4.39Å; V55-Y125 HydrophobicContact CG2-CE1 3.59Å; V55-Y125 HydrophobicContact CG2-CE2 4.47Å; V55-Y125 HydrophobicContact CG2-CG 3.93Å; Y58-Y125 HydrophobicContact CD1-CD2 4.29Å; Y58-Y125 AromaticContact CD1-CE2 3.91Å; Y58-Y125 HydrophobicContact CD1-CE2 3.91Å; Y58-Y125 HydrophobicContact CE1-CE2 4.14Å; Y58-Y125 HydrophobicContact CG-CE2 4.15Å; F59-Y125 HydrophobicContact CZ-CD2 4.08Å; F59-Y125 HydrophobicContact CZ-CG 4.43Å; I89-Y125 CarbonylContact C-O 3.47Å; I89-Y125 VanDerWaalsContact CA-O 3.25Å; I89-Y125 WeakPolarHBondContact CA-O 3.33Å; I89-Y125 WeakPolarHBondContact CG1-O 3.16Å; I90-Y125 PolarHBondContact N-O 3.02Å; I90-Y125 PolarHBondContact O-N 3.25Å; Y125-L134 HydrophobicContact CE1-CD2 4.01Å; Y125-P137 HydrophobicContact CE2-CB 3.81Å; Y125-A139 CarbonylContact C-O 3.54Å; Y125-A139 WeakPolarHBondContact CA-O 3.5Å; Y125-I140 HydrophobicContact CD2-CD1 4.36Å; Y125-I140 HydrophobicContact CD2-CG1 3.81Å; Y125-I140 HydrophobicContact CE2-CD1 4.2Å; Y125-I140 HydrophobicContact CE2-CG1 4.07Å
126	S	95.6	Very high	83.5	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.7	165	57.9	0	0	0	0	110.4	G88 P137 F138 A139 P170	G88-S126 VanDerWaalsContact O-CA 3.23Å; G88-S126 WeakPolarHBondContact O-CA 3.44Å; S126-P137 CarbonylContact O-C 3.59Å; S126-P137 WeakPolarHBondContact O-CA 3.32Å; S126-F138 PolarHBondContact O-N 2.85Å; S126-A139 PolarHBondContact N-O 2.88Å; S126-A139 PolarHBondContact O-N 2.94Å; S126-A139 WeakPolarHBondContact OG-CB 3Å; S126-A139 PolarHBondContact OG-N 3.01Å; S126-A139 PolarHBondContact OG-O 2.88Å; S126-P170 VanDerWaalsContact OG-CG 3.24Å; S126-P170 WeakPolarHBondContact OG-CG 3.49Å
127	G	93	Very high	85.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.7	163.8	179.1	0	0	0	0	0	113.2	Y87 G88	Y87-G127 WeakPolarHBondContact CB-O 3.42Å; G88-G127 PolarHBondContact N-O 3.24Å; G88-G127 PolarHBondContact O-N 2.88Å
128	E	86.1	Confident	86.5	Confident	11 Å²	11	34.2 Å²	34.2	5%	0.051	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	150	174.6	-80	172.5	-177.8	0	0	111.5	S135 F138	E128-S135 WeakPolarHBondContact O-CB 3.43Å; E128-S135 PolarHBondContact O-N 2.88Å; E128-F138 HydrophobicContact CB-CE1 4.44Å; E128-F138 HydrophobicContact CB-CZ 4.42Å; E128-F138 HydrophobicContact CG-CE1 3.88Å; E128-F138 HydrophobicContact CG-CE2 4.21Å; E128-F138 HydrophobicContact CG-CZ 3.44Å; E128-F138 VanDerWaalsContact CG-CZ 3.44Å; E128-F138 WeakPolarHBondContact OE1-CZ 3.45Å
129	M	77.6	Confident	87	Confident	32 Å²	32	29.8 Å²	29.8	16%	0.158	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.5	159.8	-73.2	-173.1	69.4	0	0	109.9	E47 I50 F51 L132 E133 L134	E47-M129 HydrophobicContact CG-SD 4.34Å; I50-M129 HydrophobicContact CB-CE 4.29Å; I50-M129 HydrophobicContact CG2-CE 3.61Å; F51-M129 HydrophobicContact CB-SD 3.54Å; F51-M129 VanDerWaalsContact CB-SD 3.54Å; F51-M129 HydrophobicContact CD2-CG 3.37Å; F51-M129 HydrophobicContact CD2-SD 3.48Å; F51-M129 WeakPolarHBondContact CD2-SD 3.41Å; F51-M129 HydrophobicContact CE2-CG 3.94Å; F51-M129 HydrophobicContact CG-CG 4.4Å; F51-M129 HydrophobicContact CG-SD 3.96Å; M129-L132 HydrophobicContact CE-CD2 4.32Å; M129-E133 WeakPolarHBondContact CA-O 3.4Å; M129-L134 HydrophobicContact CG-CD2 4.43Å
130	K	74.4	Confident	87.4	Confident	91 Å²	91	29.5 Å²	29.5	40%	0.396	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.4	169	-172	-176	175.5	-170.7	0	108.3	L132 E133	K130-L132 VanDerWaalsContact C-N 3.26Å; K130-L132 PolarHBondContact O-N 3.18Å; K130-L132 VanDerWaalsContact O-N 3.16Å; K130-E133 PolarHBondContact N-O 3.29Å; K130-E133 WeakPolarHBondContact O-CA 3.34Å; K130-E133 WeakPolarHBondContact O-CB 3.49Å; K130-E133 PolarHBondContact O-N 3.12Å; K130-E133 VanDerWaalsContact O-O 3.11Å
131	D	70.7	Confident	87.6	Confident	120 Å²	120	28.8 Å²	28.8	64%	0.642	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	40.6	174.1	-53	-40.4	0	0	0	114	E133	D131-E133 PolarHBondContact O-N 2.98Å
132	L	72.9	Confident	87.8	Confident	44 Å²	44	28.8 Å²	28.8	23%	0.23	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	9.4	-175.1	-54.6	179.8	0	0	0	116.2	Y42 I50 R54 M129 K130	Y42-L132 HydrophobicContact CD2-CD2 3.82Å; Y42-L132 HydrophobicContact CE1-CD1 4.4Å; Y42-L132 HydrophobicContact CE2-CD1 4.07Å; Y42-L132 HydrophobicContact CE2-CD2 3.55Å; Y42-L132 HydrophobicContact CE2-CG 3.93Å; Y42-L132 HydrophobicContact CG-CD2 4.5Å; Y42-L132 WeakPolarHBondContact OH-CD1 3.21Å; I50-L132 HydrophobicContact CD1-CD1 4.31Å; I50-L132 HydrophobicContact CD1-CD2 3.66Å; I50-L132 HydrophobicContact CG2-CB 4.42Å; I50-L132 HydrophobicContact CG2-CD2 4.28Å; R54-L132 PolarHBondContact NE-O 2.76Å; R54-L132 VanDerWaalsContact NE-O 3.09Å; M129-L132 HydrophobicContact CE-CD2 4.32Å; K130-L132 VanDerWaalsContact C-N 3.26Å; K130-L132 PolarHBondContact O-N 3.18Å; K130-L132 VanDerWaalsContact O-N 3.16Å
133	E	76.8	Confident	87.8	Confident	131 Å²	131	28.5 Å²	28.5	61%	0.612	14%	0.141	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.8	169.7	-59.6	-163	154.2	0	0	110.1	M129 K130 D131 S135	M129-E133 WeakPolarHBondContact CA-O 3.4Å; K130-E133 PolarHBondContact N-O 3.29Å; K130-E133 WeakPolarHBondContact O-CA 3.34Å; K130-E133 WeakPolarHBondContact O-CB 3.49Å; K130-E133 PolarHBondContact O-N 3.12Å; K130-E133 VanDerWaalsContact O-O 3.11Å; D131-E133 PolarHBondContact O-N 2.98Å; E133-S135 PolarHBondContact O-N 2.79Å
134	L	79.1	Confident	87.6	Confident	40 Å²	40	29.3 Å²	29.3	21%	0.209	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	122.3	167.4	-76.6	171.6	0	0	0	107.5	F51 R54 V55 Y125 M129	F51-L134 HydrophobicContact CD2-CD2 3.61Å; F51-L134 HydrophobicContact CE2-CD2 3.37Å; F51-L134 HydrophobicContact CZ-CD2 4.31Å; R54-L134 VanDerWaalsContact C-CD1 3.4Å; R54-L134 HydrophobicContact CB-CD1 3.58Å; R54-L134 HydrophobicContact CB-CD2 4.34Å; R54-L134 HydrophobicContact CB-CG 3.55Å; R54-L134 HydrophobicContact CG-CG 4.47Å; R54-L134 WeakPolarHBondContact O-CD1 3.21Å; V55-L134 HydrophobicContact CG2-CD1 3.89Å; V55-L134 HydrophobicContact CG2-CD2 3.92Å; Y125-L134 HydrophobicContact CE1-CD2 4.01Å; M129-L134 HydrophobicContact CG-CD2 4.43Å
135	S	79.6	Confident	87.3	Confident	39 Å²	39	30.2 Å²	30.2	27%	0.273	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-170.5	160.8	-168	0	0	0	0	108.7	E128 E133	E128-S135 WeakPolarHBondContact O-CB 3.43Å; E128-S135 PolarHBondContact O-N 2.88Å; E133-S135 PolarHBondContact O-N 2.79Å
136	R	81.4	Confident	86.6	Confident	52 Å²	52	36.6 Å²	36.6	20%	0.196	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	136.6	175.6	-175.6	-178.9	135.8	-162.3	-6	111	F138 S195 Q204 D205	R136-F138 PolarHBondContact O-N 3Å; R136-S195 PolarHBondContact NH2-OG 3.4Å; R136-Q204 PolarHBondContact NH1-O 3.26Å; R136-Q204 VanDerWaalsContact NH1-O 3.17Å; R136-Q204 PolarHBondContact NH2-O 2.72Å; R136-D205 IonicContact CZ-OD1 3.45Å; R136-D205 IonicContact CZ-OD2 2.76Å; R136-D205 IonicContact NE-OD1 2.58Å; R136-D205 PolarHBondContact NE-OD1 3.06Å; R136-D205 IonicContact NE-OD2 3.41Å; R136-D205 IonicContact NH1-OD1 3.79Å; R136-D205 PolarHBondContact NH1-OD1 2.99Å; R136-D205 IonicContact NH1-OD2 2.77Å; R136-D205 PolarHBondContact NH1-OD2 2.76Å; R136-D205 IonicContact NH2-OD1 2.83Å; R136-D205 PolarHBondContact NH2-OD1 3.32Å
137	P	90	Very high	85.7	Confident	13 Å²	13	40.5 Å²	40.5	8%	0.084	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	136.1	170.4	26.1	-34.7	0	0	0	111.3	Y58 Y125 S126 I140 K189	Y58-P137 HydrophobicContact CE2-CG 4.44Å; Y125-P137 HydrophobicContact CE2-CB 3.81Å; S126-P137 CarbonylContact O-C 3.59Å; S126-P137 WeakPolarHBondContact O-CA 3.32Å; P137-I140 HydrophobicContact CB-CD1 3.37Å; P137-I140 HydrophobicContact CB-CG1 3.72Å; P137-I140 HydrophobicContact CG-CD1 3.5Å; P137-I140 VanDerWaalsContact CG-CD1 3.5Å; P137-I140 HydrophobicContact CG-CG1 4.38Å; P137-K189 HydrophobicContact CG-CD 4.38Å
138	F	92.4	Very high	84.7	Confident	5 Å²	5	48.3 Å²	48.3	2%	0.022	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-52.2	170.7	-71.6	2.4	0	0	0	110.3	Y87 S126 E128 R136 P170 T190 T191 F196	Y87-F138 HydrophobicContact CD1-CD2 4.09Å; Y87-F138 AromaticContact CD1-CE2 3.79Å; Y87-F138 HydrophobicContact CD1-CE2 3.79Å; Y87-F138 HydrophobicContact CD2-CD2 4.22Å; Y87-F138 AromaticContact CG-CD2 3.81Å; Y87-F138 HydrophobicContact CG-CD2 3.81Å; Y87-F138 AromaticContact CG-CE2 3.74Å; Y87-F138 HydrophobicContact CG-CE2 3.74Å; S126-F138 PolarHBondContact O-N 2.85Å; E128-F138 HydrophobicContact CB-CE1 4.44Å; E128-F138 HydrophobicContact CB-CZ 4.42Å; E128-F138 HydrophobicContact CG-CE1 3.88Å; E128-F138 HydrophobicContact CG-CE2 4.21Å; E128-F138 HydrophobicContact CG-CZ 3.44Å; E128-F138 VanDerWaalsContact CG-CZ 3.44Å; E128-F138 WeakPolarHBondContact OE1-CZ 3.45Å; R136-F138 PolarHBondContact O-N 3Å; F138-P170 HydrophobicContact CB-CG 4.23Å; F138-P170 HydrophobicContact CD2-CG 4.46Å; F138-T190 CarbonylContact O-C 3.57Å; F138-T190 VanDerWaalsContact O-C 3.29Å; F138-T191 VanDerWaalsContact O-CA 3.29Å; F138-T191 WeakPolarHBondContact O-CA 3.39Å; F138-T191 PolarHBondContact O-N 3.42Å; F138-F196 HydrophobicContact CD1-CZ 4.14Å; F138-F196 HydrophobicContact CD2-CZ 4.06Å; F138-F196 AromaticContact CE1-CE1 3.99Å; F138-F196 HydrophobicContact CE1-CE1 3.99Å; F138-F196 AromaticContact CE1-CZ 3.92Å; F138-F196 HydrophobicContact CE1-CZ 3.92Å; F138-F196 AromaticContact CE2-CE1 3.96Å; F138-F196 HydrophobicContact CE2-CE1 3.96Å; F138-F196 AromaticContact CE2-CZ 3.82Å; F138-F196 HydrophobicContact CE2-CZ 3.82Å; F138-F196 HydrophobicContact CG-CZ 4.19Å; F138-F196 AromaticContact CZ-CE1 3.56Å; F138-F196 HydrophobicContact CZ-CE1 3.56Å; F138-F196 AromaticContact CZ-CZ 3.71Å; F138-F196 HydrophobicContact CZ-CZ 3.71Å
139	A	95.5	Very high	84.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	144.2	177	0	0	0	0	0	111.7	Y125 S126 L172 K189	Y125-A139 CarbonylContact C-O 3.54Å; Y125-A139 WeakPolarHBondContact CA-O 3.5Å; S126-A139 PolarHBondContact N-O 2.88Å; S126-A139 PolarHBondContact O-N 2.94Å; S126-A139 WeakPolarHBondContact OG-CB 3Å; S126-A139 PolarHBondContact OG-N 3.01Å; S126-A139 PolarHBondContact OG-O 2.88Å; A139-L172 HydrophobicContact CB-CD1 4.08Å; A139-L172 HydrophobicContact CB-CD2 3.9Å; A139-L172 HydrophobicContact CB-CG 3.85Å; A139-K189 CarbonylContact C-O 3.44Å; A139-K189 WeakPolarHBondContact CA-O 3.4Å
140	I	96.9	Very high	83.9	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	131.5	179.2	-59.3	160.5	0	0	0	108.9	Y58 F59 Q124 Y125 P137 L172 L187 Y188 K189	Y58-I140 HydrophobicContact CE1-CD1 3.46Å; Y58-I140 VanDerWaalsContact CE1-CD1 3.46Å; Y58-I140 HydrophobicContact CE1-CG1 4.43Å; Y58-I140 WeakPolarHBondContact OH-CD1 3.11Å; F59-I140 HydrophobicContact CE1-CG2 3.8Å; F59-I140 HydrophobicContact CZ-CG2 4.42Å; Q124-I140 VanDerWaalsContact O-CA 3.3Å; Q124-I140 WeakPolarHBondContact O-CA 3.45Å; Y125-I140 HydrophobicContact CD2-CD1 4.36Å; Y125-I140 HydrophobicContact CD2-CG1 3.81Å; Y125-I140 HydrophobicContact CE2-CD1 4.2Å; Y125-I140 HydrophobicContact CE2-CG1 4.07Å; P137-I140 HydrophobicContact CB-CD1 3.37Å; P137-I140 HydrophobicContact CB-CG1 3.72Å; P137-I140 HydrophobicContact CG-CD1 3.5Å; P137-I140 VanDerWaalsContact CG-CD1 3.5Å; P137-I140 HydrophobicContact CG-CG1 4.38Å; I140-L172 WeakPolarHBondContact O-CD1 3.23Å; I140-L187 HydrophobicContact CG2-CB 4.1Å; I140-L187 HydrophobicContact CG2-CD1 4.48Å; I140-Y188 CarbonylContact O-C 3.16Å; I140-Y188 WeakPolarHBondContact O-CA 3.42Å; I140-K189 HydrophobicContact CB-CB 4.4Å; I140-K189 PolarHBondContact N-O 3.4Å; I140-K189 PolarHBondContact O-N 3.35Å; I140-K189 VanDerWaalsContact O-O 3.14Å
141	A	97.6	Very high	84.1	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.8	161.6	0	0	0	0	0	109.1	C123 Q124 Y143 L172 L174 I185 L187	C123-A141 CarbonylContact C-O 3.53Å; C123-A141 WeakPolarHBondContact CA-O 3.36Å; Q124-A141 HydrophobicContact CB-CB 4.44Å; Q124-A141 PolarHBondContact N-O 2.05Å; Q124-A141 PolarHBondContact O-N 2.85Å; A141-Y143 HydrophobicContact CB-CE1 4.43Å; A141-L172 HydrophobicContact CB-CD1 4.03Å; A141-L172 HydrophobicContact CB-CD2 3.95Å; A141-L172 HydrophobicContact CB-CG 4.39Å; A141-L174 HydrophobicContact CB-CD2 4.21Å; A141-I185 HydrophobicContact CB-CD1 4.33Å; A141-L187 CarbonylContact C-O 3.51Å; A141-L187 VanDerWaalsContact CA-O 3.24Å; A141-L187 WeakPolarHBondContact CA-O 3.35Å
142	C	97.5	Very high	84.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130.9	166.9	-72.3	0	0	0	0	109.9	F59 L63 V121 E122 C123 I185 L186 L187	F59-C142 WeakPolarHBondContact CE1-SG 3.47Å; L63-C142 HydrophobicContact CD2-CB 4.18Å; V121-C142 HydrophobicContact CG1-CB 4.14Å; E122-C142 WeakPolarHBondContact O-CA 3.44Å; C123-C142 HydrophobicContact CB-CB 4.23Å; C123-C142 WeakPolarHBondContact CB-SG 3.14Å; C123-C142 WeakPolarHBondContact SG-CB 3.41Å; C123-C142 CovalentContact SG-SG 2.04Å; C123-C142 PolarHBondContact SG-SG 2.77Å; C142-I185 WeakPolarHBondContact O-CG1 3.05Å; C142-L186 HydrophobicContact CB-CB 4.15Å; C142-L186 WeakPolarHBondContact O-CA 3.49Å; C142-L186 WeakPolarHBondContact O-CB 3.42Å; C142-L186 PolarHBondContact O-N 3.16Å; C142-L187 HydrophobicContact CB-CB 4.04Å; C142-L187 HydrophobicContact CB-CG 4.49Å; C142-L187 PolarHBondContact N-O 2.84Å; C142-L187 PolarHBondContact O-N 3.29Å
143	Y	95.6	Very high	85.7	Confident	7 Å²	7	63.1 Å²	63.1	3%	0.027	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	155	178.4	45.3	-96.3	0	0	0	111.3	V121 E122 Q124 A141 L174 P175 L178 I185	V121-Y143 CarbonylContact C-O 3.4Å; V121-Y143 WeakPolarHBondContact CA-O 3.49Å; E122-Y143 HydrophobicContact CB-CD2 4.18Å; E122-Y143 HydrophobicContact CB-CE2 3.77Å; E122-Y143 HydrophobicContact CG-CE2 4.09Å; E122-Y143 PolarHBondContact N-O 3.36Å; E122-Y143 PolarHBondContact O-N 2.95Å; E122-Y143 WeakPolarHBondContact OE1-CE2 3.38Å; E122-Y143 VanDerWaalsContact OE1-CZ 3.24Å; E122-Y143 PolarHBondContact OE1-OH 3.41Å; Q124-Y143 PolarHBondContact NE2-OH 3.49Å; A141-Y143 HydrophobicContact CB-CE1 4.43Å; Y143-L174 HydrophobicContact CE1-CD2 4.28Å; Y143-P175 HydrophobicContact CE2-CG 3.86Å; Y143-P175 WeakPolarHBondContact OH-CD 3.49Å; Y143-L178 HydrophobicContact CD1-CD1 3.4Å; Y143-L178 HydrophobicContact CD2-CD1 3.44Å; Y143-L178 VanDerWaalsContact CD2-CD1 3.44Å; Y143-L178 HydrophobicContact CE1-CD1 3.95Å; Y143-L178 HydrophobicContact CE2-CD1 4.01Å; Y143-L178 HydrophobicContact CG-CD1 3.1Å; Y143-I185 HydrophobicContact CD1-CD1 4.26Å
144	Q	93.4	Very high	86.3	Confident	17 Å²	17	59.9 Å²	59.9	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	136.8	171.7	-175.3	172	-1.4	0	0	110.1	L108 Q109 V120	L108-Q144 HydrophobicContact CD2-CB 3.97Å; L108-Q144 HydrophobicContact CD2-CG 4.33Å; Q109-Q144 PolarHBondContact O-NE2 3.35Å; Q109-Q144 PolarHBondContact O-OE1 2.99Å; V120-Q144 WeakPolarHBondContact O-CA 3.42Å
145	K	90.5	Very high	86.9	Confident	24 Å²	24	61.7 Å²	61.7	10%	0.104	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128	176.8	-162.6	-173.9	176.7	153.8	0	109	M93 V120 E122 D147 E149	M93-K145 HydrophobicContact CE-CD 4.24Å; M93-K145 HydrophobicContact SD-CD 4.37Å; V120-K145 HydrophobicContact CG1-CB 4.3Å; V120-K145 PolarHBondContact O-N 3.17Å; E122-K145 HydrophobicContact CB-CB 4.27Å; E122-K145 HydrophobicContact CB-CD 4.3Å; E122-K145 WeakPolarHBondContact OE2-CD 3.44Å; E122-K145 WeakPolarHBondContact OE2-CE 3.49Å; E122-K145 IonicContact OE2-NZ 2.84Å; E122-K145 PolarHBondContact OE2-NZ 3.35Å; K145-D147 VanDerWaalsContact CD-O 3.22Å; K145-D147 WeakPolarHBondContact CD-O 3.37Å; K145-D147 WeakPolarHBondContact CE-O 3.2Å; K145-D147 WeakPolarHBondContact CE-OD1 3.49Å; K145-D147 WeakPolarHBondContact CG-O 3.23Å; K145-D147 IonicContact NZ-OD1 3.65Å; K145-E149 PolarHBondContact NZ-O 2.91Å
146	W	81.6	Confident	87.4	Confident	135 Å²	135	65.4 Å²	65.4	51%	0.511	30%	0.303	S	S	.	.	S	Bend	trans	-91.8	-35.1	179.8	-56.7	-60.3	0	0	0	112.6	H177	W146-H177 AromaticContact CH2-CD2 3.64Å; W146-H177 AromaticContact CH2-NE2 3.86Å; W146-H177 AromaticContact CZ3-CD2 3.43Å; W146-H177 VanDerWaalsContact CZ3-CD2 3.43Å; W146-H177 WeakPolarHBondContact CZ3-CD2 3.37Å; W146-H177 AromaticContact CZ3-CE1 3.91Å; W146-H177 AromaticContact CZ3-CG 3.97Å; W146-H177 AromaticContact CZ3-NE2 3.42Å; W146-H177 WeakPolarHBondContact CZ3-NE2 2.92Å
147	D	78.2	Confident	87.8	Confident	85 Å²	85	64.5 Å²	64.5	46%	0.455	30%	0.303	S	S	.	.	S	Bend	trans	-81.8	142.2	170	71	67.4	0	0	0	110.3	K145 E149	K145-D147 VanDerWaalsContact CD-O 3.22Å; K145-D147 WeakPolarHBondContact CD-O 3.37Å; K145-D147 WeakPolarHBondContact CE-O 3.2Å; K145-D147 WeakPolarHBondContact CE-OD1 3.49Å; K145-D147 WeakPolarHBondContact CG-O 3.23Å; K145-D147 IonicContact NZ-OD1 3.65Å; D147-E149 VanDerWaalsContact C-N 3.26Å; D147-E149 PolarHBondContact OD1-N 3.03Å
148	R	71.2	Confident	87.9	Confident	163 Å²	163	63.9 Å²	63.9	62%	0.615	30%	0.299	S	S	*	.			trans	-94.9	21.5	175.4	-64.7	-174.8	177.8	178.5	0.3	111.2	D117 V120 L150	D117-R148 IonicContact OD1-NH2 3.73Å; V120-R148 HydrophobicContact CG2-CG 4.46Å; R148-L150 PolarHBondContact O-N 3.19Å
149	E	75.5	Confident	87.9	Confident	149 Å²	149	64.6 Å²	64.6	70%	0.696	31%	0.305	S	S	*	.			trans	-68.8	123.5	179.8	-70.2	-167.4	174	0	0	110	K145 D147	K145-E149 PolarHBondContact NZ-O 2.91Å; D147-E149 VanDerWaalsContact C-N 3.26Å; D147-E149 PolarHBondContact OD1-N 3.03Å
150	L	70.9	Confident	87.7	Confident	121 Å²	121	71 Å²	71	63%	0.634	33%	0.333	S	S	*	.			trans	-93.4	121.9	178.3	-58.8	179.6	0	0	0	108.6	M93 R148	M93-L150 HydrophobicContact CE-CD2 4.12Å; M93-L150 HydrophobicContact SD-CD2 3.55Å; M93-L150 VanDerWaalsContact SD-CD2 3.55Å; R148-L150 PolarHBondContact O-N 3.19Å
151	K	79.4	Confident	87.3	Confident	152 Å²	152	76.5 Å²	76.5	66%	0.661	36%	0.357	S	S	*	.			trans	-124.6	107.6	174.7	-169.8	174.8	-178.7	179	0	109.7	Y91 T153	Y91-K151 WeakPolarHBondContact CE1-O 3.33Å; K151-T153 PolarHBondContact O-N 2.77Å
152	E	87.4	Confident	87.1	Confident	169 Å²	169	77.7 Å²	77.7	79%	0.79	36%	0.361	S	S	*	.			trans	-63	137.1	168.2	-67.7	-170.4	169.9	0	0	109.8	H74	H74-E152 WeakPolarHBondContact O-CA 3.46Å
153	T	89	Confident	86.9	Confident	19 Å²	19	79 Å²	79	12%	0.117	37%	0.368	C	S	.	.			trans	-119.3	121.2	-179.9	-56.1	0	0	0	0	108.9	H74 G75 K151 T157 L158 W162	H74-T153 PolarHBondContact O-N 3.17Å; G75-T153 WeakPolarHBondContact CA-O 3.48Å; K151-T153 PolarHBondContact O-N 2.77Å; T153-T157 HydrophobicContact CG2-CG2 3.54Å; T153-L158 HydrophobicContact CG2-CD2 3.64Å; T153-L158 HydrophobicContact CG2-CG 3.79Å; T153-W162 HydrophobicContact CG2-CZ2 4.24Å
154	S	91	Very high	86.9	Confident	63 Å²	63	78.6 Å²	78.6	44%	0.441	37%	0.366	S	S	.	.			trans	-68.6	152.7	-179.2	67.2	0	0	0	0	111.9	E156 T157 L158	S154-E156 PolarHBondContact O-N 2.93Å; S154-T157 WeakPolarHBondContact O-CA 3.47Å; S154-T157 WeakPolarHBondContact O-CB 3.25Å; S154-T157 PolarHBondContact O-N 3.22Å; S154-T157 PolarHBondContact OG-N 2.79Å; S154-T157 PolarHBondContact OG-OG1 3Å; S154-L158 WeakPolarHBondContact O-CG 3.49Å; S154-L158 PolarHBondContact O-N 2.67Å
155	E	89.9	Confident	86.7	Confident	77 Å²	77	78.9 Å²	78.9	36%	0.36	37%	0.37	S	S	.	.	H	α-helix	trans	-54.4	-39.9	173.2	174.1	163.3	-150.3	0	0	111.9	Y44 K78 T157 L158 C159	Y44-E155 PolarHBondContact OH-OE1 2.04Å; Y44-E155 PolarHBondContact OH-OE2 2.87Å; K78-E155 PolarHBondContact N-OE1 3.01Å; E155-T157 VanDerWaalsContact C-N 3.28Å; E155-T157 PolarHBondContact O-N 2.7Å; E155-L158 PolarHBondContact O-N 3.03Å; E155-C159 WeakPolarHBondContact O-CB 3.38Å; E155-C159 PolarHBondContact O-N 3.47Å
156	E	90.3	Very high	86.6	Confident	118 Å²	118	81 Å²	81	55%	0.551	40%	0.399	S	S	*	.	H	α-helix	trans	-59.5	-40.4	175.4	179.9	169.5	-149.1	0	0	112.2	S154 K160	S154-E156 PolarHBondContact O-N 2.93Å; E156-K160 HydrophobicContact CG-CD 3.83Å; E156-K160 HydrophobicContact CG-CG 4.32Å; E156-K160 VanDerWaalsContact O-CB 3.23Å; E156-K160 WeakPolarHBondContact O-CB 3.3Å; E156-K160 PolarHBondContact O-N 2.78Å; E156-K160 IonicContact OE1-NZ 3.92Å; E156-K160 PolarHBondContact OE1-NZ 2.67Å
157	T	90.4	Very high	87	Confident	32 Å²	32	76 Å²	76	20%	0.196	38%	0.383	C	S	.	.	I	π-helix	trans	-67.2	-46.2	177.8	-61.6	0	0	0	0	110.3	T153 S154 E155 C159 K161 W162	T153-T157 HydrophobicContact CG2-CG2 3.54Å; S154-T157 WeakPolarHBondContact O-CA 3.47Å; S154-T157 WeakPolarHBondContact O-CB 3.25Å; S154-T157 PolarHBondContact O-N 3.22Å; S154-T157 PolarHBondContact OG-N 2.79Å; S154-T157 PolarHBondContact OG-OG1 3Å; E155-T157 VanDerWaalsContact C-N 3.28Å; E155-T157 PolarHBondContact O-N 2.7Å; T157-C159 PolarHBondContact O-N 3.21Å; T157-K161 HydrophobicContact CG2-CB 4.24Å; T157-K161 HydrophobicContact CG2-CD 4.06Å; T157-K161 WeakPolarHBondContact O-CA 3.48Å; T157-K161 WeakPolarHBondContact O-CB 3.24Å; T157-K161 PolarHBondContact O-N 2.96Å; T157-W162 PolarHBondContact O-N 2.78Å
158	L	92.4	Very high	87.6	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.374	C	S	.	.	I	π-helix	trans	-64.1	-40.1	179.8	-64.1	171.3	0	0	0	113	I89 T153 S154 E155 W162	I89-L158 HydrophobicContact CD1-CB 4.4Å; I89-L158 HydrophobicContact CG2-CB 3.63Å; I89-L158 HydrophobicContact CG2-CD1 4.21Å; I89-L158 HydrophobicContact CG2-CG 4.42Å; T153-L158 HydrophobicContact CG2-CD2 3.64Å; T153-L158 HydrophobicContact CG2-CG 3.79Å; S154-L158 WeakPolarHBondContact O-CG 3.49Å; S154-L158 PolarHBondContact O-N 2.67Å; E155-L158 PolarHBondContact O-N 3.03Å; L158-W162 HydrophobicContact CD2-CD2 3.92Å; L158-W162 HydrophobicContact CD2-CE3 3.67Å; L158-W162 HydrophobicContact CD2-CH2 3.75Å; L158-W162 HydrophobicContact CD2-CZ2 4Å; L158-W162 HydrophobicContact CD2-CZ3 3.57Å; L158-W162 WeakPolarHBondContact O-CB 3.37Å
159	C	92.2	Very high	88.7	Confident	21 Å²	21	67 Å²	67	14%	0.142	35%	0.345	C	S	.	.	I	π-helix	trans	-95.6	-11.8	-174.4	-65.2	0	0	0	0	114.9	C79 E155 T157 N163	C79-C159 WeakPolarHBondContact CA-SG 3.41Å; C79-C159 HydrophobicContact CB-CB 3.77Å; C79-C159 WeakPolarHBondContact CB-SG 3.4Å; C79-C159 WeakPolarHBondContact SG-CA 3.21Å; C79-C159 WeakPolarHBondContact SG-CB 3.06Å; C79-C159 CovalentContact SG-SG 2.05Å; C79-C159 PolarHBondContact SG-SG 3.36Å; E155-C159 WeakPolarHBondContact O-CB 3.38Å; E155-C159 PolarHBondContact O-N 3.47Å; T157-C159 PolarHBondContact O-N 3.21Å; C159-N163 PolarHBondContact O-ND2 3.03Å; C159-N163 PolarHBondContact O-OD1 2.96Å
160	K	90.3	Very high	89.6	Confident	135 Å²	135	60 Å²	60	59%	0.587	31%	0.312	S	S	*	.	I	π-helix	trans	-115.7	-50.8	176.2	-58.2	-172.7	-171.9	167.4	0	112.8	E156	E156-K160 HydrophobicContact CG-CD 3.83Å; E156-K160 HydrophobicContact CG-CG 4.32Å; E156-K160 VanDerWaalsContact O-CB 3.23Å; E156-K160 WeakPolarHBondContact O-CB 3.3Å; E156-K160 PolarHBondContact O-N 2.78Å; E156-K160 IonicContact OE1-NZ 3.92Å; E156-K160 PolarHBondContact OE1-NZ 2.67Å
161	K	89.8	Confident	90.8	Very high	120 Å²	120	55.6 Å²	55.6	52%	0.522	29%	0.289	S	S	.	.	I	π-helix	trans	-77.2	-31.1	-174.2	-64.8	-173.8	173.4	-179.4	0	112.5	T157 N163	T157-K161 HydrophobicContact CG2-CB 4.24Å; T157-K161 HydrophobicContact CG2-CD 4.06Å; T157-K161 WeakPolarHBondContact O-CA 3.48Å; T157-K161 WeakPolarHBondContact O-CB 3.24Å; T157-K161 PolarHBondContact O-N 2.96Å; K161-N163 PolarHBondContact O-N 2.71Å
162	W	93.1	Very high	91.6	Very high	25 Å²	25	48.8 Å²	48.8	10%	0.095	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	23.4	177.9	-60.8	11.4	0	0	0	112	I89 Y91 Q124 T153 T157 L158 P170 Q171 Q173	I89-W162 HydrophobicContact CD1-CE3 3.92Å; Y91-W162 AromaticContact CD2-CH2 3.93Å; Y91-W162 HydrophobicContact CD2-CH2 3.93Å; Y91-W162 HydrophobicContact CG-CH2 4.18Å; Q124-W162 HydrophobicContact CB-CZ3 4.4Å; Q124-W162 HydrophobicContact CG-CH2 4Å; Q124-W162 HydrophobicContact CG-CZ3 3.77Å; Q124-W162 VanDerWaalsContact OE1-CZ3 3.31Å; T153-W162 HydrophobicContact CG2-CZ2 4.24Å; T157-W162 PolarHBondContact O-N 2.78Å; L158-W162 HydrophobicContact CD2-CD2 3.92Å; L158-W162 HydrophobicContact CD2-CE3 3.67Å; L158-W162 HydrophobicContact CD2-CH2 3.75Å; L158-W162 HydrophobicContact CD2-CZ2 4Å; L158-W162 HydrophobicContact CD2-CZ3 3.57Å; L158-W162 WeakPolarHBondContact O-CB 3.37Å; W162-P170 CarbonylContact O-C 3.48Å; W162-P170 WeakPolarHBondContact O-CA 3.43Å; W162-Q171 PolarHBondContact O-N 3.49Å; W162-Q173 HydrophobicContact CB-CG 4.26Å; W162-Q173 VanDerWaalsContact CD1-CG 3.4Å; W162-Q173 HydrophobicContact CD2-CB 4.4Å; W162-Q173 HydrophobicContact CD2-CG 3.39Å; W162-Q173 HydrophobicContact CE3-CG 4.06Å; W162-Q173 HydrophobicContact CG-CG 3.47Å; W162-Q173 VanDerWaalsContact CG-CG 3.47Å; W162-Q173 HydrophobicContact CH2-CG 4.49Å; W162-Q173 HydrophobicContact CZ2-CB 4.2Å; W162-Q173 HydrophobicContact CZ2-CG 3.91Å
163	N	93.6	Very high	92	Very high	26 Å²	26	44.1 Å²	44.1	14%	0.139	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-91.1	143.3	173.7	-71.3	-9.4	0	0	0	110.5	C159 K161 T167 L169	C159-N163 PolarHBondContact O-ND2 3.03Å; C159-N163 PolarHBondContact O-OD1 2.96Å; K161-N163 PolarHBondContact O-N 2.71Å; N163-T167 WeakPolarHBondContact CB-O 3.41Å; N163-T167 PolarHBondContact ND2-O 3.34Å; N163-L169 VanDerWaalsContact CA-O 3.31Å; N163-L169 WeakPolarHBondContact CA-O 3.38Å
164	Y	94.3	Very high	92.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-62.3	133.8	167.2	-178.6	-102.3	0	0	0	110	G166 T167 L169 F221 G225 K226 E311 T313	Y164-G166 PolarHBondContact O-N 3.25Å; Y164-T167 HydrophobicContact CD1-CG2 3.84Å; Y164-T167 WeakPolarHBondContact O-CB 3.4Å; Y164-T167 PolarHBondContact O-N 3.22Å; Y164-T167 PolarHBondContact O-OG1 3.18Å; Y164-L169 PolarHBondContact N-O 2.8Å; Y164-F221 VanDerWaalsContact CB-CD2 3.45Å; Y164-F221 HydrophobicContact CD1-CD1 4.26Å; Y164-F221 AromaticContact CD1-CE1 3.84Å; Y164-F221 HydrophobicContact CD1-CE1 3.84Å; Y164-F221 HydrophobicContact CD1-CE2 4.24Å; Y164-F221 AromaticContact CD1-CZ 3.83Å; Y164-F221 HydrophobicContact CD1-CZ 3.83Å; Y164-F221 HydrophobicContact CD2-CB 3.94Å; Y164-F221 AromaticContact CD2-CD1 3.65Å; Y164-F221 HydrophobicContact CD2-CD1 3.65Å; Y164-F221 AromaticContact CD2-CD2 3.96Å; Y164-F221 HydrophobicContact CD2-CD2 3.96Å; Y164-F221 HydrophobicContact CD2-CE1 4.09Å; Y164-F221 HydrophobicContact CD2-CE2 4.32Å; Y164-F221 AromaticContact CD2-CG 3.58Å; Y164-F221 HydrophobicContact CD2-CG 3.58Å; Y164-F221 HydrophobicContact CD2-CZ 4.4Å; Y164-F221 HydrophobicContact CE1-CD1 4.49Å; Y164-F221 HydrophobicContact CE1-CE1 4.15Å; Y164-F221 HydrophobicContact CE2-CB 4.5Å; Y164-F221 AromaticContact CE2-CD1 3.93Å; Y164-F221 HydrophobicContact CE2-CD1 3.93Å; Y164-F221 HydrophobicContact CE2-CE1 4.4Å; Y164-F221 HydrophobicContact CE2-CG 4.24Å; Y164-F221 AromaticContact CG-CD1 3.84Å; Y164-F221 HydrophobicContact CG-CD1 3.84Å; Y164-F221 AromaticContact CG-CD2 3.79Å; Y164-F221 HydrophobicContact CG-CD2 3.79Å; Y164-F221 AromaticContact CG-CE1 3.81Å; Y164-F221 HydrophobicContact CG-CE1 3.81Å; Y164-F221 AromaticContact CG-CE2 3.71Å; Y164-F221 HydrophobicContact CG-CE2 3.71Å; Y164-F221 AromaticContact CG-CG 3.83Å; Y164-F221 HydrophobicContact CG-CG 3.83Å; Y164-F221 AromaticContact CG-CZ 3.74Å; Y164-F221 HydrophobicContact CG-CZ 3.74Å; Y164-G225 WeakPolarHBondContact OH-CA 3.2Å; Y164-K226 HydrophobicContact CE1-CB 4.47Å; Y164-K226 HydrophobicContact CE1-CG 4.17Å; Y164-K226 PolarHBondContact OH-N 2.88Å; Y164-E311 PolarHBondContact OH-O 2.99Å; Y164-T313 HydrophobicContact CE2-CG2 3.8Å
165	P	90.2	Very high	92.3	Very high	23 Å²	23	42.9 Å²	42.9	15%	0.149	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	123.7	-163.3	-34.3	38.1	0	0	0	116	T167 K226 K310	P165-T167 PolarHBondContact O-N 3.02Å; P165-K226 WeakPolarHBondContact O-CD 3.3Å; P165-K226 WeakPolarHBondContact O-CE 3.34Å; P165-K226 PolarHBondContact O-NZ 3.1Å; P165-K310 HydrophobicContact CB-CD 4.13Å; P165-K310 HydrophobicContact CB-CG 4.2Å; P165-K310 WeakPolarHBondContact CD-O 3.49Å; P165-K310 HydrophobicContact CG-CB 3.75Å; P165-K310 HydrophobicContact CG-CD 3.99Å; P165-K310 HydrophobicContact CG-CG 3.77Å; P165-K310 VanDerWaalsContact CG-O 3.3Å; P165-K310 WeakPolarHBondContact CG-O 3.39Å
166	G	87.9	Confident	92.4	Very high	69 Å²	69	43.9 Å²	43.9	71%	0.711	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	33.7	-178.2	0	0	0	0	0	113.8	Y164 K226	Y164-G166 PolarHBondContact O-N 3.25Å; G166-K226 PolarHBondContact O-NZ 3.28Å
167	T	90.5	Very high	92.4	Very high	29 Å²	29	42.4 Å²	42.4	18%	0.178	23%	0.225	C	C	.	.	S	Bend	trans	-130.7	173.3	165.6	78.6	0	0	0	0	108.6	N163 Y164 P165 L169 L193	N163-T167 WeakPolarHBondContact CB-O 3.41Å; N163-T167 PolarHBondContact ND2-O 3.34Å; Y164-T167 HydrophobicContact CD1-CG2 3.84Å; Y164-T167 WeakPolarHBondContact O-CB 3.4Å; Y164-T167 PolarHBondContact O-N 3.22Å; Y164-T167 PolarHBondContact O-OG1 3.18Å; P165-T167 PolarHBondContact O-N 3.02Å; T167-L169 PolarHBondContact OG1-N 3.02Å; T167-L193 HydrophobicContact CG2-CD2 4.1Å
168	Q	91.1	Very high	92.6	Very high	56 Å²	56	41.3 Å²	41.3	26%	0.262	22%	0.218	S	C	.	.	S	Bend	trans	-105.4	16.2	171.3	-69.7	169.9	-16.9	0	0	111.8	Q80 H81 N82 Y87	Q80-Q168 PolarHBondContact O-OE1 3.26Å; H81-Q168 VanDerWaalsContact CA-OE1 3.28Å; N82-Q168 VanDerWaalsContact CG-NE2 3.33Å; N82-Q168 PolarHBondContact ND2-NE2 2.82Å; N82-Q168 PolarHBondContact OD1-NE2 2.66Å; N82-Q168 PolarHBondContact OD1-OE1 2.85Å; N82-Q168 VanDerWaalsContact OD1-OE1 3.1Å; Y87-Q168 WeakPolarHBondContact CE1-O 3.49Å; Y87-Q168 PolarHBondContact OH-O 3.04Å
169	L	92.8	Very high	92.7	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	23%	0.228	C	C	.	.	S	Bend	trans	-91	141.5	-178.4	-67.4	-176.9	0	0	0	110.8	N163 Y164 T167 Q171 T191 L193 F196 F221	N163-L169 VanDerWaalsContact CA-O 3.31Å; N163-L169 WeakPolarHBondContact CA-O 3.38Å; Y164-L169 PolarHBondContact N-O 2.8Å; T167-L169 PolarHBondContact OG1-N 3.02Å; L169-Q171 PolarHBondContact O-N 2.73Å; L169-T191 HydrophobicContact CB-CG2 4Å; L169-L193 HydrophobicContact CD1-CD2 3.6Å; L169-L193 HydrophobicContact CD1-CG 4.3Å; L169-F196 HydrophobicContact CD1-CD2 3.72Å; L169-F196 HydrophobicContact CD1-CE2 3.87Å; L169-F196 HydrophobicContact CD2-CD2 3.91Å; L169-F196 HydrophobicContact CD2-CE1 4.31Å; L169-F196 HydrophobicContact CD2-CE2 3.6Å; L169-F196 HydrophobicContact CD2-CG 4.42Å; L169-F196 HydrophobicContact CD2-CZ 3.81Å; L169-F196 HydrophobicContact CG-CE2 4.4Å; L169-F221 HydrophobicContact CB-CE2 3.88Å; L169-F221 HydrophobicContact CB-CZ 4.31Å; L169-F221 HydrophobicContact CD1-CE2 4.49Å; L169-F221 HydrophobicContact CD1-CZ 4.18Å
170	P	94.7	Very high	92.9	Very high	2 Å²	2	45 Å²	45	1%	0.013	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-75	126.8	-173.8	29.3	-33.7	0	0	0	112.2	Y87 I89 S126 F138 W162 T191	Y87-P170 HydrophobicContact CD2-CG 4.44Å; Y87-P170 HydrophobicContact CE2-CB 3.92Å; Y87-P170 HydrophobicContact CE2-CG 3.77Å; Y87-P170 WeakPolarHBondContact OH-CD 3.43Å; I89-P170 HydrophobicContact CD1-CB 4.26Å; S126-P170 VanDerWaalsContact OG-CG 3.24Å; S126-P170 WeakPolarHBondContact OG-CG 3.49Å; F138-P170 HydrophobicContact CB-CG 4.23Å; F138-P170 HydrophobicContact CD2-CG 4.46Å; W162-P170 CarbonylContact O-C 3.48Å; W162-P170 WeakPolarHBondContact O-CA 3.43Å; P170-T191 HydrophobicContact CG-CG2 4.24Å; P170-T191 WeakPolarHBondContact O-CG2 3Å
171	Q	96.5	Very high	93	Very high	29 Å²	29	40.5 Å²	40.5	14%	0.136	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-103.8	124.1	169	178.9	169.6	26.9	0	0	109.5	W162 L169 Q173 T219 F221	W162-Q171 PolarHBondContact O-N 3.49Å; L169-Q171 PolarHBondContact O-N 2.73Å; Q171-Q173 PolarHBondContact O-NE2 2.84Å; Q171-T219 WeakPolarHBondContact CG-O 3.33Å; Q171-T219 PolarHBondContact NE2-O 3.47Å; Q171-F221 HydrophobicContact CB-CD2 4.29Å; Q171-F221 HydrophobicContact CG-CB 4.14Å
172	L	97	Very high	93.1	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.042	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-64.3	137.4	178.5	-63.2	162.9	0	0	0	110.3	Q124 A139 I140 A141 Y188 K189 T190 G220	Q124-L172 HydrophobicContact CB-CD2 3.78Å; A139-L172 HydrophobicContact CB-CD1 4.08Å; A139-L172 HydrophobicContact CB-CD2 3.9Å; A139-L172 HydrophobicContact CB-CG 3.85Å; I140-L172 WeakPolarHBondContact O-CD1 3.23Å; A141-L172 HydrophobicContact CB-CD1 4.03Å; A141-L172 HydrophobicContact CB-CD2 3.95Å; A141-L172 HydrophobicContact CB-CG 4.39Å; L172-Y188 HydrophobicContact CD1-CD2 4.09Å; L172-Y188 HydrophobicContact CD1-CE2 3.83Å; L172-K189 WeakPolarHBondContact CD1-O 3.35Å; L172-T190 HydrophobicContact CD1-CG2 4.09Å; L172-G220 PolarHBondContact N-O 2.69Å
173	Q	94.8	Very high	93.1	Very high	71 Å²	71	42.5 Å²	42.5	33%	0.332	24%	0.237	S	C	.	.			trans	-95.5	105.5	178	-59.9	-55.5	-60.3	0	0	110	Q124 W162 Q171	Q124-Q173 PolarHBondContact NE2-O 3.25Å; W162-Q173 HydrophobicContact CB-CG 4.26Å; W162-Q173 VanDerWaalsContact CD1-CG 3.4Å; W162-Q173 HydrophobicContact CD2-CB 4.4Å; W162-Q173 HydrophobicContact CD2-CG 3.39Å; W162-Q173 HydrophobicContact CE3-CG 4.06Å; W162-Q173 HydrophobicContact CG-CG 3.47Å; W162-Q173 VanDerWaalsContact CG-CG 3.47Å; W162-Q173 HydrophobicContact CH2-CG 4.49Å; W162-Q173 HydrophobicContact CZ2-CB 4.2Å; W162-Q173 HydrophobicContact CZ2-CG 3.91Å; Q171-Q173 PolarHBondContact O-NE2 2.84Å
174	L	94	Very high	93	Very high	16 Å²	16	45.2 Å²	45.2	8%	0.084	25%	0.251	C	S	.	.			trans	-97.1	131.9	-179.8	-59.2	179.6	0	0	0	111.1	A141 Y143 K179 I185 Y188 R218	A141-L174 HydrophobicContact CB-CD2 4.21Å; Y143-L174 HydrophobicContact CE1-CD2 4.28Å; L174-K179 HydrophobicContact CB-CG 4.22Å; L174-K179 WeakPolarHBondContact O-CE 3.31Å; L174-I185 HydrophobicContact CD2-CD1 4.1Å; L174-Y188 HydrophobicContact CD1-CE2 3.85Å; L174-Y188 HydrophobicContact CD2-CE2 4.33Å; L174-R218 HydrophobicContact CD1-CB 3.57Å
175	P	92.8	Very high	93	Very high	41 Å²	41	46.4 Å²	46.4	27%	0.266	26%	0.257	S	S	.	.			trans	-53.4	150.3	164	-24.4	32.8	0	0	0	111.6	Y143 H177 L178 K179	Y143-P175 HydrophobicContact CE2-CG 3.86Å; Y143-P175 WeakPolarHBondContact OH-CD 3.49Å; P175-H177 VanDerWaalsContact C-N 3.27Å; P175-H177 VanDerWaalsContact CB-CE1 3.43Å; P175-H177 WeakPolarHBondContact CB-CE1 3.43Å; P175-H177 PolarHBondContact O-N 3.08Å; P175-L178 HydrophobicContact CG-CD1 4.29Å; P175-L178 PolarHBondContact O-N 3.31Å; P175-K179 PolarHBondContact O-N 3.42Å
176	E	91.5	Very high	93.3	Very high	97 Å²	97	46.6 Å²	46.6	45%	0.453	26%	0.257	S	S	.	.	H	α-helix	trans	-57.1	-38.7	-173.5	-162.3	66.8	-163.6	0	0	112.9	L178 K179 K308	E176-L178 PolarHBondContact O-N 3.15Å; E176-K179 WeakPolarHBondContact O-CB 3.29Å; E176-K179 PolarHBondContact O-N 2.86Å; E176-K179 VanDerWaalsContact O-N 3.17Å; E176-K179 WeakPolarHBondContact OE2-CD 3.24Å; E176-K179 WeakPolarHBondContact OE2-CE 3.34Å; E176-K179 IonicContact OE2-NZ 2.8Å; E176-K179 PolarHBondContact OE2-NZ 2.79Å; E176-K308 IonicContact OE1-NZ 2.87Å; E176-K308 PolarHBondContact OE1-NZ 3.32Å; E176-K308 IonicContact OE2-NZ 2.78Å; E176-K308 PolarHBondContact OE2-NZ 3.34Å
177	H	91.2	Very high	93.6	Very high	88 Å²	88	45.2 Å²	45.2	41%	0.407	23%	0.233	S	C	.	.	H	α-helix	trans	-66.2	-17.3	178.1	69.2	-88.7	0	0	0	114.1	W146 P175 S183	W146-H177 AromaticContact CH2-CD2 3.64Å; W146-H177 AromaticContact CH2-NE2 3.86Å; W146-H177 AromaticContact CZ3-CD2 3.43Å; W146-H177 VanDerWaalsContact CZ3-CD2 3.43Å; W146-H177 WeakPolarHBondContact CZ3-CD2 3.37Å; W146-H177 AromaticContact CZ3-CE1 3.91Å; W146-H177 AromaticContact CZ3-CG 3.97Å; W146-H177 AromaticContact CZ3-NE2 3.42Å; W146-H177 WeakPolarHBondContact CZ3-NE2 2.92Å; P175-H177 VanDerWaalsContact C-N 3.27Å; P175-H177 VanDerWaalsContact CB-CE1 3.43Å; P175-H177 WeakPolarHBondContact CB-CE1 3.43Å; P175-H177 PolarHBondContact O-N 3.08Å; H177-S183 WeakPolarHBondContact O-CB 3.47Å
178	L	94.4	Very high	93.9	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.047	24%	0.236	C	C	.	.	H	α-helix	trans	-100.2	-5.7	177.6	-63.2	-179.4	0	0	0	113.8	Y143 P175 E176 S180 S183 R218	Y143-L178 HydrophobicContact CD1-CD1 3.4Å; Y143-L178 HydrophobicContact CD2-CD1 3.44Å; Y143-L178 VanDerWaalsContact CD2-CD1 3.44Å; Y143-L178 HydrophobicContact CE1-CD1 3.95Å; Y143-L178 HydrophobicContact CE2-CD1 4.01Å; Y143-L178 HydrophobicContact CG-CD1 3.1Å; P175-L178 HydrophobicContact CG-CD1 4.29Å; P175-L178 PolarHBondContact O-N 3.31Å; E176-L178 PolarHBondContact O-N 3.15Å; L178-S180 VanDerWaalsContact C-N 3.31Å; L178-S183 VanDerWaalsContact CA-OG 3.3Å; L178-S183 WeakPolarHBondContact CA-OG 3.16Å; L178-S183 PolarHBondContact O-OG 3.19Å; L178-R218 PolarHBondContact O-NH1 2.92Å
179	K	94.9	Very high	94.1	Very high	48 Å²	48	47.7 Å²	47.7	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-68.8	-31.7	175.5	-70.7	-172.8	-176.6	166.7	0	111.5	L174 P175 E176 E217 R218	L174-K179 HydrophobicContact CB-CG 4.22Å; L174-K179 WeakPolarHBondContact O-CE 3.31Å; P175-K179 PolarHBondContact O-N 3.42Å; E176-K179 WeakPolarHBondContact O-CB 3.29Å; E176-K179 PolarHBondContact O-N 2.86Å; E176-K179 VanDerWaalsContact O-N 3.17Å; E176-K179 WeakPolarHBondContact OE2-CD 3.24Å; E176-K179 WeakPolarHBondContact OE2-CE 3.34Å; E176-K179 IonicContact OE2-NZ 2.8Å; E176-K179 PolarHBondContact OE2-NZ 2.79Å; K179-E217 HydrophobicContact CB-CB 4.12Å; K179-E217 CarbonylContact O-C 3.54Å; K179-E217 WeakPolarHBondContact O-CA 3.28Å; K179-R218 PolarHBondContact O-N 3.07Å
180	S	95	Very high	94.2	Very high	50 Å²	50	48.3 Å²	48.3	35%	0.35	24%	0.243	S	C	.	.	S	Bend	trans	-56.7	130.7	174.8	177.9	0	0	0	0	111	L178 H182 S183 R218	L178-S180 VanDerWaalsContact C-N 3.31Å; S180-H182 PolarHBondContact O-N 3.1Å; S180-H182 VanDerWaalsContact O-N 3.08Å; S180-H182 PolarHBondContact OG-N 3.42Å; S180-S183 WeakPolarHBondContact O-CB 3.46Å; S180-S183 PolarHBondContact O-N 3.18Å; S180-S183 PolarHBondContact O-OG 3.32Å; S180-R218 PolarHBondContact O-NH1 2.85Å
181	P	93.2	Very high	94.2	Very high	40 Å²	40	48.3 Å²	48.3	26%	0.26	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-17.7	175.1	-24.8	36.7	0	0	0	113.7	N214 Y216 R218	P181-N214 WeakPolarHBondContact CG-O 3.12Å; P181-Y216 WeakPolarHBondContact CD-O 3.42Å; P181-R218 PolarHBondContact O-NH2 3.36Å
182	H	92.3	Very high	94.1	Very high	168 Å²	168	47.5 Å²	47.5	78%	0.778	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-11.6	177.5	-56.4	-65.1	0	0	0	113.7	S180	S180-H182 PolarHBondContact O-N 3.1Å; S180-H182 VanDerWaalsContact O-N 3.08Å; S180-H182 PolarHBondContact OG-N 3.42Å
183	S	92.8	Very high	93.8	Very high	20 Å²	20	49.3 Å²	49.3	14%	0.14	25%	0.249	C	C	.	.	S	Bend	trans	-69.3	146.5	176.6	65.9	0	0	0	0	110.9	H177 L178 S180 R218	H177-S183 WeakPolarHBondContact O-CB 3.47Å; L178-S183 VanDerWaalsContact CA-OG 3.3Å; L178-S183 WeakPolarHBondContact CA-OG 3.16Å; L178-S183 PolarHBondContact O-OG 3.19Å; S180-S183 WeakPolarHBondContact O-CB 3.46Å; S180-S183 PolarHBondContact O-N 3.18Å; S180-S183 PolarHBondContact O-OG 3.32Å; S183-R218 PolarHBondContact O-NH1 3.35Å; S183-R218 PolarHBondContact O-NH2 2.88Å; S183-R218 PolarHBondContact OG-NH1 3.1Å
184	N	91	Very high	93.6	Very high	83 Å²	83	47.8 Å²	47.8	44%	0.444	24%	0.242	S	C	.	.			trans	-80.6	130	-179.8	-178.2	25	0	0	0	110.9	N107	N107-N184 WeakPolarHBondContact CB-ND2 3.19Å; N107-N184 PolarHBondContact O-ND2 2.04Å
185	I	94.6	Very high	93.2	Very high	24 Å²	24	47.3 Å²	47.3	12%	0.123	24%	0.24	C	C	.	.			trans	-136.5	131.2	177.9	-169.8	162.2	0	0	0	108	A141 C142 Y143 L174 Y188	A141-I185 HydrophobicContact CB-CD1 4.33Å; C142-I185 WeakPolarHBondContact O-CG1 3.05Å; Y143-I185 HydrophobicContact CD1-CD1 4.26Å; L174-I185 HydrophobicContact CD2-CD1 4.1Å; I185-Y188 HydrophobicContact CD1-CD2 3.68Å; I185-Y188 HydrophobicContact CD1-CG 4.1Å; I185-Y188 HydrophobicContact CG2-CG 4.36Å
186	L	95.5	Very high	92.8	Very high	27 Å²	27	46.2 Å²	46.2	14%	0.141	23%	0.231	C	C	.	.	S	Bend	trans	-68.9	-43	-171.4	-59.7	172.7	0	0	0	111.7	L63 I66 C106 N107 L108 V121 C142	L63-L186 HydrophobicContact CD2-CB 4.13Å; I66-L186 HydrophobicContact CD1-CD1 4.15Å; I66-L186 HydrophobicContact CD1-CD2 4.1Å; C106-L186 WeakPolarHBondContact O-CD2 3.16Å; N107-L186 HydrophobicContact CB-CD2 3.82Å; N107-L186 WeakPolarHBondContact O-CD2 3.49Å; L108-L186 HydrophobicContact CD2-CD1 3.86Å; L108-L186 HydrophobicContact CD2-CD2 4.01Å; L108-L186 HydrophobicContact CD2-CG 4.47Å; L108-L186 HydrophobicContact CG-CD2 4.37Å; V121-L186 HydrophobicContact CB-CD1 4.41Å; V121-L186 HydrophobicContact CG1-CD1 3.84Å; V121-L186 HydrophobicContact CG2-CD1 3.59Å; C142-L186 HydrophobicContact CB-CB 4.15Å; C142-L186 WeakPolarHBondContact O-CA 3.49Å; C142-L186 WeakPolarHBondContact O-CB 3.42Å; C142-L186 PolarHBondContact O-N 3.16Å
187	L	95.8	Very high	91.8	Very high	41 Å²	41	47.8 Å²	47.8	22%	0.215	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.6	173.9	-66.9	173.9	0	0	0	108.6	F59 H62 L63 I140 A141 C142	F59-L187 HydrophobicContact CD1-CD1 4.36Å; H62-L187 HydrophobicContact CB-CD1 4.01Å; L63-L187 HydrophobicContact CD2-CD1 3.5Å; L63-L187 VanDerWaalsContact CD2-CD1 3.5Å; L63-L187 HydrophobicContact CD2-CG 3.78Å; L63-L187 HydrophobicContact CG-CD1 3.96Å; I140-L187 HydrophobicContact CG2-CB 4.1Å; I140-L187 HydrophobicContact CG2-CD1 4.48Å; A141-L187 CarbonylContact C-O 3.51Å; A141-L187 VanDerWaalsContact CA-O 3.24Å; A141-L187 WeakPolarHBondContact CA-O 3.35Å; C142-L187 HydrophobicContact CB-CB 4.04Å; C142-L187 HydrophobicContact CB-CG 4.49Å; C142-L187 PolarHBondContact N-O 2.84Å; C142-L187 PolarHBondContact O-N 3.29Å
188	Y	96.1	Very high	90.5	Very high	63 Å²	63	45.8 Å²	45.8	25%	0.247	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	112.3	176.1	-173.7	-112	0	0	0	110.5	I140 L172 L174 I185 T190 R218 G220 D314	I140-Y188 CarbonylContact O-C 3.16Å; I140-Y188 WeakPolarHBondContact O-CA 3.42Å; L172-Y188 HydrophobicContact CD1-CD2 4.09Å; L172-Y188 HydrophobicContact CD1-CE2 3.83Å; L174-Y188 HydrophobicContact CD1-CE2 3.85Å; L174-Y188 HydrophobicContact CD2-CE2 4.33Å; I185-Y188 HydrophobicContact CD1-CD2 3.68Å; I185-Y188 HydrophobicContact CD1-CG 4.1Å; I185-Y188 HydrophobicContact CG2-CG 4.36Å; Y188-T190 HydrophobicContact CE1-CG2 3.73Å; Y188-T190 HydrophobicContact CE2-CG2 3.78Å; Y188-T190 WeakPolarHBondContact OH-CG2 3.46Å; Y188-R218 HydrophobicContact CE1-CB 4.41Å; Y188-R218 HydrophobicContact CE1-CG 4.17Å; Y188-G220 VanDerWaalsContact OH-CA 3.28Å; Y188-G220 WeakPolarHBondContact OH-CA 3.48Å; Y188-G220 PolarHBondContact OH-N 3.18Å; Y188-D314 WeakPolarHBondContact CE1-OD2 3.45Å; Y188-D314 PolarHBondContact OH-OD1 2.75Å; Y188-D314 PolarHBondContact OH-OD2 2.66Å
189	K	95.2	Very high	88.7	Confident	73 Å²	73	55.3 Å²	55.3	32%	0.317	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	122.9	173.5	178.1	173.4	-178	168.3	0	107.3	P137 A139 I140 L172 D205	P137-K189 HydrophobicContact CG-CD 4.38Å; A139-K189 CarbonylContact C-O 3.44Å; A139-K189 WeakPolarHBondContact CA-O 3.4Å; I140-K189 HydrophobicContact CB-CB 4.4Å; I140-K189 PolarHBondContact N-O 3.4Å; I140-K189 PolarHBondContact O-N 3.35Å; I140-K189 VanDerWaalsContact O-O 3.14Å; L172-K189 WeakPolarHBondContact CD1-O 3.35Å; K189-D205 IonicContact NZ-OD1 2.68Å
190	T	95.7	Very high	87.1	Confident	16 Å²	16	56.2 Å²	56.2	10%	0.098	30%	0.299	C	S	.	.			trans	-100.7	160.5	-179.6	56.3	0	0	0	0	111.2	F138 L172 Y188 S222 D314	F138-T190 CarbonylContact O-C 3.57Å; F138-T190 VanDerWaalsContact O-C 3.29Å; L172-T190 HydrophobicContact CD1-CG2 4.09Å; Y188-T190 HydrophobicContact CE1-CG2 3.73Å; Y188-T190 HydrophobicContact CE2-CG2 3.78Å; Y188-T190 WeakPolarHBondContact OH-CG2 3.46Å; T190-S222 WeakPolarHBondContact OG1-CB 3.33Å; T190-S222 PolarHBondContact OG1-N 3.07Å; T190-S222 VanDerWaalsContact OG1-N 3.14Å; T190-S222 PolarHBondContact OG1-OG 2.99Å; T190-D314 WeakPolarHBondContact CG2-OD2 3.36Å
191	T	94.4	Very high	85.4	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.018	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-80.9	166	165.2	-157.1	0	0	0	0	109.9	F138 L169 P170 F221 S222	F138-T191 VanDerWaalsContact O-CA 3.29Å; F138-T191 WeakPolarHBondContact O-CA 3.39Å; F138-T191 PolarHBondContact O-N 3.42Å; L169-T191 HydrophobicContact CB-CG2 4Å; P170-T191 HydrophobicContact CG-CG2 4.24Å; P170-T191 WeakPolarHBondContact O-CG2 3Å; T191-F221 HydrophobicContact CG2-CD2 3.42Å; T191-F221 VanDerWaalsContact CG2-CD2 3.42Å; T191-F221 HydrophobicContact CG2-CE2 3.13Å; T191-F221 HydrophobicContact CG2-CZ 4.01Å; T191-S222 PolarHBondContact O-N 2.92Å; T191-S222 PolarHBondContact O-OG 3.49Å
192	N	93.9	Very high	84	Confident	11 Å²	11	59.5 Å²	59.5	6%	0.059	31%	0.312	C	S	.	.			trans	-152.9	161.4	174.1	54.8	74.4	0	0	0	110.3	E194 S195 F196 W211 S222	N192-E194 VanDerWaalsContact C-N 3.35Å; N192-E194 WeakPolarHBondContact CB-OE2 3.16Å; N192-E194 PolarHBondContact OD1-N 3.39Å; N192-S195 PolarHBondContact ND2-OG 2.75Å; N192-S195 VanDerWaalsContact OD1-CB 3.28Å; N192-S195 WeakPolarHBondContact OD1-CB 3.3Å; N192-S195 PolarHBondContact OD1-N 3.25Å; N192-S195 PolarHBondContact OD1-OG 2.94Å; N192-F196 WeakPolarHBondContact O-CD2 3.5Å; N192-F196 WeakPolarHBondContact O-CE2 3.38Å; N192-W211 HydrophobicContact CB-CH2 4.27Å; N192-W211 HydrophobicContact CB-CZ3 4.4Å; N192-S222 WeakPolarHBondContact CA-O 3.17Å; N192-S222 VanDerWaalsContact CB-C 3.5Å; N192-S222 WeakPolarHBondContact CB-O 3.25Å; N192-S222 WeakPolarHBondContact CB-OG 3.46Å; N192-S222 PolarHBondContact ND2-OG 3.27Å
193	L	91.3	Very high	82.9	Confident	47 Å²	47	52.2 Å²	52.2	25%	0.246	28%	0.28	C	S	.	.	S	Bend	trans	-70.5	-34.5	178.9	-72	169.4	0	0	0	111.8	T167 L169 S195 F196 N197 F221 G225	T167-L193 HydrophobicContact CG2-CD2 4.1Å; L169-L193 HydrophobicContact CD1-CD2 3.6Å; L169-L193 HydrophobicContact CD1-CG 4.3Å; L193-S195 PolarHBondContact O-N 3.26Å; L193-F196 PolarHBondContact O-N 3.35Å; L193-N197 PolarHBondContact O-N 3.35Å; L193-F221 HydrophobicContact CG-CE1 4.39Å; L193-F221 HydrophobicContact CG-CZ 4.21Å; L193-G225 WeakPolarHBondContact CD1-O 3.48Å
194	E	90	Very high	81.9	Confident	38 Å²	38	57 Å²	57	18%	0.178	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-61	-32	-174.6	-67.1	79	-179.7	0	0	112.3	N192 F196 N197 A206 W211 G223 K224 Y230	N192-E194 VanDerWaalsContact C-N 3.35Å; N192-E194 WeakPolarHBondContact CB-OE2 3.16Å; N192-E194 PolarHBondContact OD1-N 3.39Å; E194-F196 PolarHBondContact O-N 3Å; E194-N197 PolarHBondContact O-N 3.49Å; E194-A206 HydrophobicContact CB-CB 3.64Å; E194-W211 HydrophobicContact CB-CH2 4.21Å; E194-W211 HydrophobicContact CB-CZ2 4.16Å; E194-W211 HydrophobicContact CG-CH2 4.34Å; E194-W211 HydrophobicContact CG-CZ2 4.08Å; E194-G223 WeakPolarHBondContact OE2-CA 3.46Å; E194-K224 WeakPolarHBondContact OE1-CB 3.27Å; E194-K224 PolarHBondContact OE1-N 2.85Å; E194-Y230 PolarHBondContact OE1-OH 3.14Å; E194-Y230 VanDerWaalsContact OE1-OH 3.04Å
195	S	86.1	Confident	81	Confident	6 Å²	6	58.5 Å²	58.5	4%	0.042	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-65.6	-15.8	175.2	-64.8	0	0	0	0	113.2	R136 N192 L193 S203 Q204	R136-S195 PolarHBondContact NH2-OG 3.4Å; N192-S195 PolarHBondContact ND2-OG 2.75Å; N192-S195 VanDerWaalsContact OD1-CB 3.28Å; N192-S195 WeakPolarHBondContact OD1-CB 3.3Å; N192-S195 PolarHBondContact OD1-N 3.25Å; N192-S195 PolarHBondContact OD1-OG 2.94Å; L193-S195 PolarHBondContact O-N 3.26Å; S195-S203 CarbonylContact O-C 3.56Å; S195-S203 VanDerWaalsContact O-CA 3.25Å; S195-S203 WeakPolarHBondContact O-CA 2.98Å; S195-Q204 WeakPolarHBondContact CA-O 3.36Å; S195-Q204 WeakPolarHBondContact CB-O 3.21Å; S195-Q204 PolarHBondContact O-N 3.05Å; S195-Q204 PolarHBondContact OG-O 2.72Å; S195-Q204 VanDerWaalsContact OG-O 3.09Å
196	F	83.7	Confident	80.2	Confident	18 Å²	18	58.5 Å²	58.5	8%	0.079	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-113.6	8.3	-179.2	-55.9	-87.7	0	0	0	112.5	H81 R84 F138 L169 N192 L193 E194 G198	H81-F196 AromaticContact CE1-CD1 3.45Å; H81-F196 VanDerWaalsContact CE1-CD1 3.45Å; H81-F196 WeakPolarHBondContact CE1-CD1 3.1Å; H81-F196 AromaticContact CE1-CE1 3.76Å; H81-F196 AromaticContact CE1-CG 3.94Å; R84-F196 PolarHBondContact NH2-O 2.98Å; F138-F196 HydrophobicContact CD1-CZ 4.14Å; F138-F196 HydrophobicContact CD2-CZ 4.06Å; F138-F196 AromaticContact CE1-CE1 3.99Å; F138-F196 HydrophobicContact CE1-CE1 3.99Å; F138-F196 AromaticContact CE1-CZ 3.92Å; F138-F196 HydrophobicContact CE1-CZ 3.92Å; F138-F196 AromaticContact CE2-CE1 3.96Å; F138-F196 HydrophobicContact CE2-CE1 3.96Å; F138-F196 AromaticContact CE2-CZ 3.82Å; F138-F196 HydrophobicContact CE2-CZ 3.82Å; F138-F196 HydrophobicContact CG-CZ 4.19Å; F138-F196 AromaticContact CZ-CE1 3.56Å; F138-F196 HydrophobicContact CZ-CE1 3.56Å; F138-F196 AromaticContact CZ-CZ 3.71Å; F138-F196 HydrophobicContact CZ-CZ 3.71Å; L169-F196 HydrophobicContact CD1-CD2 3.72Å; L169-F196 HydrophobicContact CD1-CE2 3.87Å; L169-F196 HydrophobicContact CD2-CD2 3.91Å; L169-F196 HydrophobicContact CD2-CE1 4.31Å; L169-F196 HydrophobicContact CD2-CE2 3.6Å; L169-F196 HydrophobicContact CD2-CG 4.42Å; L169-F196 HydrophobicContact CD2-CZ 3.81Å; L169-F196 HydrophobicContact CG-CE2 4.4Å; N192-F196 WeakPolarHBondContact O-CD2 3.5Å; N192-F196 WeakPolarHBondContact O-CE2 3.38Å; L193-F196 PolarHBondContact O-N 3.35Å; E194-F196 PolarHBondContact O-N 3Å; F196-G198 PolarHBondContact O-N 3.26Å
197	N	71	Confident	79.5	Confident	131 Å²	131	62.9 Å²	62.9	70%	0.701	34%	0.336	S	S	*	.			trans	-77.2	85.9	173.2	-73.5	-15.6	0	0	0	110	L193 E194	L193-N197 PolarHBondContact O-N 3.35Å; E194-N197 PolarHBondContact O-N 3.49Å
198	G	63	Low	78.9	Confident	45 Å²	45	63.4 Å²	63.4	46%	0.464	35%	0.346	S	S	.	.	S	Bend	trans	177.8	163.2	175.9	0	0	0	0	0	112.8	R84 F196 T200	R84-G198 PolarHBondContact NH2-O 3.24Å; F196-G198 PolarHBondContact O-N 3.26Å; G198-T200 PolarHBondContact O-N 3.49Å
199	E	58.3	Low	78	Confident	209 Å²	209	65.5 Å²	65.5	98%	0.977	37%	0.37	S	S	*	.	S	Bend	trans	-75.8	-13.8	176.8	-64.9	-175.9	168.4	0	0	113
200	T	60.4	Low	77.6	Confident	67 Å²	67	65.2 Å²	65.2	41%	0.411	39%	0.388	S	S	.	.	S	Bend	trans	-73.1	138.6	179.4	57.3	0	0	0	0	110.7	R84 G198 Q202	R84-T200 PolarHBondContact NH1-O 3.17Å; R84-T200 PolarHBondContact NH2-O 2.81Å; R84-T200 VanDerWaalsContact NH2-O 3.07Å; G198-T200 PolarHBondContact O-N 3.49Å; T200-Q202 PolarHBondContact O-N 2.96Å; T200-Q202 VanDerWaalsContact O-N 3.16Å; T200-Q202 PolarHBondContact OG1-O 3.12Å
201	S	60	Low	77.5	Confident	61 Å²	61	66.4 Å²	66.4	43%	0.427	39%	0.39	S	S	.	.	S	Bend	trans	-59.6	-25.8	173.2	51.9	0	0	0	0	112.9	R84	R84-S201 PolarHBondContact NH1-O 3.09Å
202	Q	63.2	Low	77.5	Confident	98 Å²	98	72.3 Å²	72.3	46%	0.458	42%	0.416	S	S	.	.	S	Bend	trans	-83	149	-180	-65.6	172.6	10	0	0	112.4	R84 T200	R84-Q202 PolarHBondContact NH1-O 3.11Å; R84-Q202 VanDerWaalsContact NH1-O 3.13Å; T200-Q202 PolarHBondContact O-N 2.96Å; T200-Q202 VanDerWaalsContact O-N 3.16Å; T200-Q202 PolarHBondContact OG1-O 3.12Å
203	S	68.4	Low	77.5	Confident	15 Å²	15	79.8 Å²	79.8	11%	0.105	45%	0.448	C	S	.	.			trans	-75.9	145.6	167.5	63.7	0	0	0	0	111.7	S195	S195-S203 CarbonylContact O-C 3.56Å; S195-S203 VanDerWaalsContact O-CA 3.25Å; S195-S203 WeakPolarHBondContact O-CA 2.98Å
204	Q	71.9	Confident	77.8	Confident	121 Å²	121	77.9 Å²	77.9	57%	0.565	44%	0.438	S	S	*	.			trans	-114.8	157.1	172.6	-62.4	-174.5	3.2	0	0	110.6	R136 S195 A206	R136-Q204 PolarHBondContact NH1-O 3.26Å; R136-Q204 VanDerWaalsContact NH1-O 3.17Å; R136-Q204 PolarHBondContact NH2-O 2.72Å; S195-Q204 WeakPolarHBondContact CA-O 3.36Å; S195-Q204 WeakPolarHBondContact CB-O 3.21Å; S195-Q204 PolarHBondContact O-N 3.05Å; S195-Q204 PolarHBondContact OG-O 2.72Å; S195-Q204 VanDerWaalsContact OG-O 3.09Å; Q204-A206 PolarHBondContact O-N 2.79Å
205	D	71.9	Confident	78	Confident	114 Å²	114	83.5 Å²	83.5	61%	0.61	46%	0.464	S	S	*	.			trans	-74.9	116.5	177.2	-82.9	-68.5	0	0	0	106.8	R136 K189	R136-D205 IonicContact CZ-OD1 3.45Å; R136-D205 IonicContact CZ-OD2 2.76Å; R136-D205 IonicContact NE-OD1 2.58Å; R136-D205 PolarHBondContact NE-OD1 3.06Å; R136-D205 IonicContact NE-OD2 3.41Å; R136-D205 IonicContact NH1-OD1 3.79Å; R136-D205 PolarHBondContact NH1-OD1 2.99Å; R136-D205 IonicContact NH1-OD2 2.77Å; R136-D205 PolarHBondContact NH1-OD2 2.76Å; R136-D205 IonicContact NH2-OD1 2.83Å; R136-D205 PolarHBondContact NH2-OD1 3.32Å; K189-D205 IonicContact NZ-OD1 2.68Å
206	A	78.1	Confident	78.4	Confident	25 Å²	25	88.6 Å²	88.6	21%	0.207	48%	0.484	C	S	.	.			trans	-68.8	132.8	167.6	0	0	0	0	0	108.6	E194 Q204 A208 W211	E194-A206 HydrophobicContact CB-CB 3.64Å; Q204-A206 PolarHBondContact O-N 2.79Å; A206-A208 PolarHBondContact O-N 2.87Å; A206-W211 HydrophobicContact CB-CH2 3.68Å; A206-W211 HydrophobicContact CB-CZ2 3.74Å
207	D	80.9	Confident	78.9	Confident	119 Å²	119	88.8 Å²	88.8	64%	0.636	48%	0.484	S	S	*	.			trans	-68.5	105.7	172.6	-178.1	8.6	0	0	0	109.5	S209 W211	D207-S209 VanDerWaalsContact CG-OG 3.29Å; D207-S209 WeakPolarHBondContact OD1-CB 3.24Å; D207-S209 PolarHBondContact OD1-N 3.18Å; D207-S209 PolarHBondContact OD1-OG 2.75Å; D207-S209 PolarHBondContact OD2-OG 2.95Å; D207-W211 PolarHBondContact O-NE1 3.14Å
208	A	83.2	Confident	80.1	Confident	52 Å²	52	84.3 Å²	84.3	43%	0.43	46%	0.458	S	S	.	.			trans	-91.7	3	-179.9	0	0	0	0	0	113.2	A206 G210 W211	A206-A208 PolarHBondContact O-N 2.87Å; A208-G210 PolarHBondContact O-N 3.18Å; A208-W211 HydrophobicContact CB-CD2 3.82Å; A208-W211 HydrophobicContact CB-CE3 3.65Å; A208-W211 HydrophobicContact CB-CG 4.34Å; A208-W211 HydrophobicContact CB-CH2 4.47Å; A208-W211 HydrophobicContact CB-CZ3 4Å; A208-W211 PolarHBondContact O-N 3.1Å; A208-W211 VanDerWaalsContact O-N 3.1Å
209	S	78.4	Confident	81.8	Confident	107 Å²	107	83 Å²	83	75%	0.748	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.7	-168.9	62.8	0	0	0	0	115.7	D207	D207-S209 VanDerWaalsContact CG-OG 3.29Å; D207-S209 WeakPolarHBondContact OD1-CB 3.24Å; D207-S209 PolarHBondContact OD1-N 3.18Å; D207-S209 PolarHBondContact OD1-OG 2.75Å; D207-S209 PolarHBondContact OD2-OG 2.95Å
210	G	86.4	Confident	83.6	Confident	66 Å²	66	73 Å²	73	68%	0.68	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	10.7	175.6	0	0	0	0	0	114.6	A208	A208-G210 PolarHBondContact O-N 3.18Å
211	W	92.9	Very high	85.4	Confident	41 Å²	41	69.8 Å²	69.8	16%	0.155	37%	0.374	C	S	.	.			trans	-73.1	135.3	-178.5	-66	-0.4	0	0	0	110.5	N192 E194 A206 D207 A208 G223 Y230 N315	N192-W211 HydrophobicContact CB-CH2 4.27Å; N192-W211 HydrophobicContact CB-CZ3 4.4Å; E194-W211 HydrophobicContact CB-CH2 4.21Å; E194-W211 HydrophobicContact CB-CZ2 4.16Å; E194-W211 HydrophobicContact CG-CH2 4.34Å; E194-W211 HydrophobicContact CG-CZ2 4.08Å; A206-W211 HydrophobicContact CB-CH2 3.68Å; A206-W211 HydrophobicContact CB-CZ2 3.74Å; D207-W211 PolarHBondContact O-NE1 3.14Å; A208-W211 HydrophobicContact CB-CD2 3.82Å; A208-W211 HydrophobicContact CB-CE3 3.65Å; A208-W211 HydrophobicContact CB-CG 4.34Å; A208-W211 HydrophobicContact CB-CH2 4.47Å; A208-W211 HydrophobicContact CB-CZ3 4Å; A208-W211 PolarHBondContact O-N 3.1Å; A208-W211 VanDerWaalsContact O-N 3.1Å; W211-G223 VanDerWaalsContact CZ3-CA 3.47Å; W211-G223 VanDerWaalsContact CZ3-N 3.34Å; W211-Y230 HydrophobicContact CB-CE1 4.47Å; W211-Y230 AromaticContact CD1-CE1 3.84Å; W211-Y230 AromaticContact CD2-CE1 3.81Å; W211-Y230 HydrophobicContact CD2-CE1 3.81Å; W211-Y230 AromaticContact CE2-CE1 3.86Å; W211-Y230 AromaticContact CE2-CZ 3.94Å; W211-Y230 HydrophobicContact CE3-CE1 4.47Å; W211-Y230 HydrophobicContact CG-CD1 4.29Å; W211-Y230 AromaticContact CG-CE1 3.8Å; W211-Y230 HydrophobicContact CG-CE1 3.8Å; W211-Y230 AromaticContact NE1-CE1 3.89Å; W211-Y230 AromaticContact NE1-CZ 3.76Å; W211-Y230 PolarHBondContact NE1-OH 2.93Å; W211-N315 HydrophobicContact CB-CB 4.11Å; W211-N315 HydrophobicContact CE3-CB 4.41Å; W211-N315 VanDerWaalsContact CE3-OD1 3.31Å
212	F	94.1	Very high	87.1	Confident	127 Å²	127	67.5 Å²	67.5	56%	0.557	36%	0.358	S	S	*	.			trans	-55	148.9	168.9	-69.5	-87.6	0	0	0	109.6	N315 W317	F212-N315 WeakPolarHBondContact O-CA 3.06Å; F212-N315 VanDerWaalsContact O-CB 3.26Å; F212-N315 WeakPolarHBondContact O-CB 3.19Å; F212-N315 PolarHBondContact O-ND2 3.2Å; F212-W317 HydrophobicContact CB-CH2 4.33Å; F212-W317 HydrophobicContact CB-CZ3 4.29Å
213	K	94.8	Very high	88.6	Confident	169 Å²	169	62.9 Å²	62.9	74%	0.735	34%	0.337	S	S	*	.			trans	-107.7	131.3	175.4	-64.9	-178.1	-177.9	178.5	0	108.6	E215 W317	K213-E215 PolarHBondContact O-N 2.89Å; K213-W317 VanDerWaalsContact O-CH2 3.31Å; K213-W317 WeakPolarHBondContact O-CH2 3.3Å; K213-W317 WeakPolarHBondContact O-CZ3 3.48Å
214	N	96.1	Very high	89.9	Confident	7 Å²	7	65.3 Å²	65.3	4%	0.037	35%	0.345	C	S	.	.			trans	-68.7	109.7	171.1	-177.3	-12.1	0	0	0	108.5	P181 Y216 E217 Y306 T313 D314 W317	P181-N214 WeakPolarHBondContact CG-O 3.12Å; N214-Y216 VanDerWaalsContact C-N 3.25Å; N214-Y216 PolarHBondContact O-N 3.23Å; N214-Y216 WeakPolarHBondContact OD1-CB 3.43Å; N214-Y216 WeakPolarHBondContact OD1-CD2 3.24Å; N214-Y216 PolarHBondContact OD1-N 3Å; N214-E217 VanDerWaalsContact CG-O 3.22Å; N214-E217 PolarHBondContact ND2-O 3.18Å; N214-E217 PolarHBondContact OD1-N 3.49Å; N214-Y306 PolarHBondContact ND2-OH 2.95Å; N214-T313 PolarHBondContact ND2-O 3.39Å; N214-T313 VanDerWaalsContact ND2-O 3.1Å; N214-D314 WeakPolarHBondContact CB-O 3.34Å; N214-D314 PolarHBondContact N-O 2.79Å; N214-W317 VanDerWaalsContact CA-CZ3 3.44Å; N214-W317 HydrophobicContact CB-CD2 4.43Å; N214-W317 HydrophobicContact CB-CE3 3.67Å; N214-W317 HydrophobicContact CB-CZ3 3.95Å
215	E	94.3	Very high	90.9	Very high	156 Å²	156	60 Å²	60	73%	0.729	32%	0.323	S	S	*	.	S	Bend	trans	-77.7	-12.9	-177.8	-60	-172.3	155	0	0	112.6	K213	K213-E215 PolarHBondContact O-N 2.89Å
216	Y	94.4	Very high	91.9	Very high	113 Å²	113	59.3 Å²	59.3	44%	0.443	32%	0.315	S	S	.	.	S	Bend	trans	-91.3	-45.7	-176.2	-55	-84.3	0	0	0	112.2	P181 N214 Y306 W317	P181-Y216 WeakPolarHBondContact CD-O 3.42Å; N214-Y216 VanDerWaalsContact C-N 3.25Å; N214-Y216 PolarHBondContact O-N 3.23Å; N214-Y216 WeakPolarHBondContact OD1-CB 3.43Å; N214-Y216 WeakPolarHBondContact OD1-CD2 3.24Å; N214-Y216 PolarHBondContact OD1-N 3Å; Y216-Y306 HydrophobicContact CD1-CD1 4.46Å; Y216-Y306 HydrophobicContact CD1-CD2 4.12Å; Y216-Y306 AromaticContact CD1-CG 3.85Å; Y216-Y306 HydrophobicContact CD1-CG 3.85Å; Y216-Y306 AromaticContact CD2-CD2 3.04Å; Y216-Y306 HydrophobicContact CD2-CD2 3.04Å; Y216-Y306 AromaticContact CD2-CE2 3.47Å; Y216-Y306 HydrophobicContact CD2-CE2 3.47Å; Y216-Y306 VanDerWaalsContact CD2-CE2 3.47Å; Y216-Y306 AromaticContact CD2-CG 3.67Å; Y216-Y306 HydrophobicContact CD2-CG 3.67Å; Y216-Y306 HydrophobicContact CE1-CD2 4.47Å; Y216-Y306 HydrophobicContact CE1-CG 4.25Å; Y216-Y306 AromaticContact CE2-CD2 3.47Å; Y216-Y306 HydrophobicContact CE2-CD2 3.47Å; Y216-Y306 VanDerWaalsContact CE2-CD2 3.47Å; Y216-Y306 HydrophobicContact CE2-CE2 4.24Å; Y216-Y306 HydrophobicContact CE2-CG 4.06Å; Y216-Y306 HydrophobicContact CG-CD1 4.11Å; Y216-Y306 AromaticContact CG-CD2 3.4Å; Y216-Y306 HydrophobicContact CG-CD2 3.4Å; Y216-Y306 AromaticContact CG-CE2 3.82Å; Y216-Y306 HydrophobicContact CG-CE2 3.82Å; Y216-Y306 AromaticContact CG-CG 3.52Å; Y216-Y306 HydrophobicContact CG-CG 3.52Å; Y216-W317 AromaticContact CE2-NE1 3.77Å
217	E	95.3	Very high	92.6	Very high	21 Å²	21	58.3 Å²	58.3	10%	0.098	31%	0.306	C	S	.	.			trans	-153.3	151.7	-179.8	60.8	177.4	-176.9	0	0	114.8	K179 N214 T219 Y306	K179-E217 HydrophobicContact CB-CB 4.12Å; K179-E217 CarbonylContact O-C 3.54Å; K179-E217 WeakPolarHBondContact O-CA 3.28Å; N214-E217 VanDerWaalsContact CG-O 3.22Å; N214-E217 PolarHBondContact ND2-O 3.18Å; N214-E217 PolarHBondContact OD1-N 3.49Å; E217-T219 HydrophobicContact CG-CG2 4.07Å; E217-Y306 HydrophobicContact CG-CE1 4.31Å; E217-Y306 VanDerWaalsContact CG-OH 3.24Å; E217-Y306 WeakPolarHBondContact CG-OH 3.19Å; E217-Y306 PolarHBondContact OE1-OH 3.49Å
218	R	97	Very high	93.1	Very high	38 Å²	38	56.3 Å²	56.3	14%	0.143	30%	0.3	C	S	.	.			trans	-77.1	127.6	153.9	-63	-173.8	-168.5	120.6	-1.2	108.3	L174 L178 K179 S180 P181 S183 Y188	L174-R218 HydrophobicContact CD1-CB 3.57Å; L178-R218 PolarHBondContact O-NH1 2.92Å; K179-R218 PolarHBondContact O-N 3.07Å; S180-R218 PolarHBondContact O-NH1 2.85Å; P181-R218 PolarHBondContact O-NH2 3.36Å; S183-R218 PolarHBondContact O-NH1 3.35Å; S183-R218 PolarHBondContact O-NH2 2.88Å; S183-R218 PolarHBondContact OG-NH1 3.1Å; Y188-R218 HydrophobicContact CE1-CB 4.41Å; Y188-R218 HydrophobicContact CE1-CG 4.17Å
219	T	96.7	Very high	93.5	Very high	16 Å²	16	59 Å²	59	10%	0.098	30%	0.303	C	S	.	.			trans	-104.5	-9.9	-175.3	65.6	0	0	0	0	112.4	Q171 E217 F221 N312 T313 D314	Q171-T219 WeakPolarHBondContact CG-O 3.33Å; Q171-T219 PolarHBondContact NE2-O 3.47Å; E217-T219 HydrophobicContact CG-CG2 4.07Å; T219-F221 VanDerWaalsContact C-N 3.29Å; T219-F221 PolarHBondContact OG1-N 3.04Å; T219-F221 PolarHBondContact OG1-O 2.99Å; T219-N312 HydrophobicContact CG2-CB 4.14Å; T219-T313 VanDerWaalsContact CG2-C 3.43Å; T219-T313 WeakPolarHBondContact CG2-O 3.4Å; T219-T313 WeakPolarHBondContact OG1-CA 3.48Å; T219-D314 PolarHBondContact N-OD1 2.78Å; T219-D314 PolarHBondContact OG1-N 2.84Å; T219-D314 PolarHBondContact OG1-OD1 3.13Å
220	G	97.1	Very high	94.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	78.9	8.9	-174	0	0	0	0	0	114.5	L172 Y188	L172-G220 PolarHBondContact N-O 2.69Å; Y188-G220 VanDerWaalsContact OH-CA 3.28Å; Y188-G220 WeakPolarHBondContact OH-CA 3.48Å; Y188-G220 PolarHBondContact OH-N 3.18Å
221	F	97.5	Very high	94.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-145.4	134	179.9	-160.5	-91.9	0	0	0	110.4	Y164 L169 Q171 T191 L193 T219 T313 D314	Y164-F221 VanDerWaalsContact CB-CD2 3.45Å; Y164-F221 HydrophobicContact CD1-CD1 4.26Å; Y164-F221 AromaticContact CD1-CE1 3.84Å; Y164-F221 HydrophobicContact CD1-CE1 3.84Å; Y164-F221 HydrophobicContact CD1-CE2 4.24Å; Y164-F221 AromaticContact CD1-CZ 3.83Å; Y164-F221 HydrophobicContact CD1-CZ 3.83Å; Y164-F221 HydrophobicContact CD2-CB 3.94Å; Y164-F221 AromaticContact CD2-CD1 3.65Å; Y164-F221 HydrophobicContact CD2-CD1 3.65Å; Y164-F221 AromaticContact CD2-CD2 3.96Å; Y164-F221 HydrophobicContact CD2-CD2 3.96Å; Y164-F221 HydrophobicContact CD2-CE1 4.09Å; Y164-F221 HydrophobicContact CD2-CE2 4.32Å; Y164-F221 AromaticContact CD2-CG 3.58Å; Y164-F221 HydrophobicContact CD2-CG 3.58Å; Y164-F221 HydrophobicContact CD2-CZ 4.4Å; Y164-F221 HydrophobicContact CE1-CD1 4.49Å; Y164-F221 HydrophobicContact CE1-CE1 4.15Å; Y164-F221 HydrophobicContact CE2-CB 4.5Å; Y164-F221 AromaticContact CE2-CD1 3.93Å; Y164-F221 HydrophobicContact CE2-CD1 3.93Å; Y164-F221 HydrophobicContact CE2-CE1 4.4Å; Y164-F221 HydrophobicContact CE2-CG 4.24Å; Y164-F221 AromaticContact CG-CD1 3.84Å; Y164-F221 HydrophobicContact CG-CD1 3.84Å; Y164-F221 AromaticContact CG-CD2 3.79Å; Y164-F221 HydrophobicContact CG-CD2 3.79Å; Y164-F221 AromaticContact CG-CE1 3.81Å; Y164-F221 HydrophobicContact CG-CE1 3.81Å; Y164-F221 AromaticContact CG-CE2 3.71Å; Y164-F221 HydrophobicContact CG-CE2 3.71Å; Y164-F221 AromaticContact CG-CG 3.83Å; Y164-F221 HydrophobicContact CG-CG 3.83Å; Y164-F221 AromaticContact CG-CZ 3.74Å; Y164-F221 HydrophobicContact CG-CZ 3.74Å; L169-F221 HydrophobicContact CB-CE2 3.88Å; L169-F221 HydrophobicContact CB-CZ 4.31Å; L169-F221 HydrophobicContact CD1-CE2 4.49Å; L169-F221 HydrophobicContact CD1-CZ 4.18Å; Q171-F221 HydrophobicContact CB-CD2 4.29Å; Q171-F221 HydrophobicContact CG-CB 4.14Å; T191-F221 HydrophobicContact CG2-CD2 3.42Å; T191-F221 VanDerWaalsContact CG2-CD2 3.42Å; T191-F221 HydrophobicContact CG2-CE2 3.13Å; T191-F221 HydrophobicContact CG2-CZ 4.01Å; L193-F221 HydrophobicContact CG-CE1 4.39Å; L193-F221 HydrophobicContact CG-CZ 4.21Å; T219-F221 VanDerWaalsContact C-N 3.29Å; T219-F221 PolarHBondContact OG1-N 3.04Å; T219-F221 PolarHBondContact OG1-O 2.99Å; F221-T313 HydrophobicContact CD1-CG2 3.91Å; F221-T313 CarbonylContact O-C 3.46Å; F221-T313 WeakPolarHBondContact O-CA 3.03Å; F221-T313 WeakPolarHBondContact O-CB 3.43Å; F221-D314 WeakPolarHBondContact O-CB 3.5Å; F221-D314 PolarHBondContact O-N 3.45Å
222	S	96.3	Very high	94.9	Very high	13 Å²	13	53.7 Å²	53.7	9%	0.091	26%	0.255	C	S	.	.			trans	-105.3	178.6	177.4	52	0	0	0	0	112.5	T190 T191 N192 N315	T190-S222 WeakPolarHBondContact OG1-CB 3.33Å; T190-S222 PolarHBondContact OG1-N 3.07Å; T190-S222 VanDerWaalsContact OG1-N 3.14Å; T190-S222 PolarHBondContact OG1-OG 2.99Å; T191-S222 PolarHBondContact O-N 2.92Å; T191-S222 PolarHBondContact O-OG 3.49Å; N192-S222 WeakPolarHBondContact CA-O 3.17Å; N192-S222 VanDerWaalsContact CB-C 3.5Å; N192-S222 WeakPolarHBondContact CB-O 3.25Å; N192-S222 WeakPolarHBondContact CB-OG 3.46Å; N192-S222 PolarHBondContact ND2-OG 3.27Å; S222-N315 WeakPolarHBondContact CA-OD1 3.5Å; S222-N315 WeakPolarHBondContact CB-OD1 3.13Å
223	G	95.4	Very high	94.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	81.9	-170	-178.6	0	0	0	0	0	111.7	E194 W211 G225 T313 N315	E194-G223 WeakPolarHBondContact OE2-CA 3.46Å; W211-G223 VanDerWaalsContact CZ3-CA 3.47Å; W211-G223 VanDerWaalsContact CZ3-N 3.34Å; G223-G225 VanDerWaalsContact C-N 3.32Å; G223-T313 WeakPolarHBondContact O-CB 3.26Å; G223-T313 PolarHBondContact O-OG1 3.18Å; G223-N315 PolarHBondContact N-OD1 2.98Å
224	K	94.2	Very high	94.9	Very high	66 Å²	66	43.2 Å²	43.2	29%	0.287	21%	0.212	S	C	.	.			trans	-78.7	-21.9	-179.1	-164.4	179.1	66.6	165.1	0	112.9	E194 K226 L227 P228 Y230 A316	E194-K224 WeakPolarHBondContact OE1-CB 3.27Å; E194-K224 PolarHBondContact OE1-N 2.85Å; K224-K226 PolarHBondContact O-N 3Å; K224-L227 VanDerWaalsContact CD-O 3.3Å; K224-L227 WeakPolarHBondContact CD-O 3.29Å; K224-L227 WeakPolarHBondContact CE-O 3.38Å; K224-L227 VanDerWaalsContact CG-O 3.31Å; K224-L227 WeakPolarHBondContact CG-O 3.33Å; K224-L227 PolarHBondContact O-N 2.82Å; K224-P228 WeakPolarHBondContact CD-O 3.11Å; K224-P228 PolarHBondContact NZ-O 2.8Å; K224-Y230 HydrophobicContact CB-CD1 4.16Å; K224-Y230 HydrophobicContact CB-CD2 4.37Å; K224-Y230 HydrophobicContact CB-CE1 3.94Å; K224-Y230 HydrophobicContact CB-CE2 4.12Å; K224-Y230 HydrophobicContact CB-CG 4.38Å; K224-Y230 HydrophobicContact CD-CD2 4.25Å; K224-Y230 HydrophobicContact CD-CE2 4.37Å; K224-Y230 HydrophobicContact CG-CD2 4.44Å; K224-Y230 HydrophobicContact CG-CG 4.44Å; K224-A316 HydrophobicContact CG-CB 4.28Å
225	G	94.4	Very high	94.8	Very high	10 Å²	10	42.9 Å²	42.9	10%	0.103	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-135.9	-174.3	0	0	0	0	0	111.4	Y164 L193 G223	Y164-G225 WeakPolarHBondContact OH-CA 3.2Å; L193-G225 WeakPolarHBondContact CD1-O 3.48Å; G223-G225 VanDerWaalsContact C-N 3.32Å
226	K	92	Very high	94.7	Very high	100 Å²	100	35.5 Å²	35.5	44%	0.435	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.1	177.2	-76.6	-174.5	174	178.4	0	114.4	Y164 P165 G166 K224	Y164-K226 HydrophobicContact CE1-CB 4.47Å; Y164-K226 HydrophobicContact CE1-CG 4.17Å; Y164-K226 PolarHBondContact OH-N 2.88Å; P165-K226 WeakPolarHBondContact O-CD 3.3Å; P165-K226 WeakPolarHBondContact O-CE 3.34Å; P165-K226 PolarHBondContact O-NZ 3.1Å; G166-K226 PolarHBondContact O-NZ 3.28Å; K224-K226 PolarHBondContact O-N 3Å
227	L	93.6	Very high	94.7	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	16%	0.156	C	C	.	.	S	Bend	trans	-77.4	151.5	-177.4	-64.9	175.2	0	0	0	111.9	K224 Q229 W265 E311 A316 V318	K224-L227 VanDerWaalsContact CD-O 3.3Å; K224-L227 WeakPolarHBondContact CD-O 3.29Å; K224-L227 WeakPolarHBondContact CE-O 3.38Å; K224-L227 VanDerWaalsContact CG-O 3.31Å; K224-L227 WeakPolarHBondContact CG-O 3.33Å; K224-L227 PolarHBondContact O-N 2.82Å; L227-Q229 PolarHBondContact O-N 2.88Å; L227-W265 HydrophobicContact CD2-CH2 3.66Å; L227-W265 HydrophobicContact CD2-CZ2 4.42Å; L227-W265 HydrophobicContact CD2-CZ3 4.4Å; L227-E311 HydrophobicContact CD2-CB 4.09Å; L227-E311 HydrophobicContact CG-CB 4.38Å; L227-A316 HydrophobicContact CB-CB 4.1Å; L227-A316 VanDerWaalsContact CD1-C 3.41Å; L227-A316 HydrophobicContact CD1-CB 3.71Å; L227-A316 WeakPolarHBondContact CD1-O 3.47Å; L227-A316 HydrophobicContact CG-CB 4.48Å; L227-V318 HydrophobicContact CD2-CG2 3.94Å
228	P	90.7	Very high	94.6	Very high	78 Å²	78	29.4 Å²	29.4	51%	0.506	15%	0.151	S	C	.	.	S	Bend	trans	-57.7	-43.7	-179	-28.5	33.8	0	0	0	114.7	K224 N233	K224-P228 WeakPolarHBondContact CD-O 3.11Å; K224-P228 PolarHBondContact NZ-O 2.8Å; P228-N233 VanDerWaalsContact CD-OD1 3.23Å; P228-N233 WeakPolarHBondContact CD-OD1 3.34Å
229	Q	92.7	Very high	94.4	Very high	108 Å²	108	28.7 Å²	28.7	51%	0.505	15%	0.15	S	C	.	.	S	Bend	trans	-137.2	159.3	-175.9	58.9	-178	53.1	0	0	112.2	L227 A232 N233 A316	L227-Q229 PolarHBondContact O-N 2.88Å; Q229-A232 PolarHBondContact NE2-O 3.19Å; Q229-N233 WeakPolarHBondContact CG-OD1 3.38Å; Q229-N233 PolarHBondContact N-OD1 2.84Å; Q229-N233 PolarHBondContact O-ND2 3.39Å; Q229-N233 PolarHBondContact O-OD1 3.46Å; Q229-A316 WeakPolarHBondContact O-CB 3.28Å
230	Y	95	Very high	94.1	Very high	67 Å²	67	27.9 Å²	27.9	26%	0.263	15%	0.145	S	C	.	.	S	Bend	trans	-65.8	155.1	166.3	-68.3	-87.5	0	0	0	110.6	E194 W211 K224 N315	E194-Y230 PolarHBondContact OE1-OH 3.14Å; E194-Y230 VanDerWaalsContact OE1-OH 3.04Å; W211-Y230 HydrophobicContact CB-CE1 4.47Å; W211-Y230 AromaticContact CD1-CE1 3.84Å; W211-Y230 AromaticContact CD2-CE1 3.81Å; W211-Y230 HydrophobicContact CD2-CE1 3.81Å; W211-Y230 AromaticContact CE2-CE1 3.86Å; W211-Y230 AromaticContact CE2-CZ 3.94Å; W211-Y230 HydrophobicContact CE3-CE1 4.47Å; W211-Y230 HydrophobicContact CG-CD1 4.29Å; W211-Y230 AromaticContact CG-CE1 3.8Å; W211-Y230 HydrophobicContact CG-CE1 3.8Å; W211-Y230 AromaticContact NE1-CE1 3.89Å; W211-Y230 AromaticContact NE1-CZ 3.76Å; W211-Y230 PolarHBondContact NE1-OH 2.93Å; K224-Y230 HydrophobicContact CB-CD1 4.16Å; K224-Y230 HydrophobicContact CB-CD2 4.37Å; K224-Y230 HydrophobicContact CB-CE1 3.94Å; K224-Y230 HydrophobicContact CB-CE2 4.12Å; K224-Y230 HydrophobicContact CB-CG 4.38Å; K224-Y230 HydrophobicContact CD-CD2 4.25Å; K224-Y230 HydrophobicContact CD-CE2 4.37Å; K224-Y230 HydrophobicContact CG-CD2 4.44Å; K224-Y230 HydrophobicContact CG-CG 4.44Å; Y230-N315 HydrophobicContact CD1-CB 3.98Å; Y230-N315 HydrophobicContact CE1-CB 4.32Å
231	G	95.3	Very high	93.8	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.9	-151	-175.7	0	0	0	0	0	113	N233 N315 A316 W317	G231-N233 PolarHBondContact O-ND2 3.24Å; G231-N315 PolarHBondContact N-O 3.38Å; G231-A316 WeakPolarHBondContact O-CA 3.01Å; G231-W317 PolarHBondContact O-N 3.23Å
232	A	94.9	Very high	93.3	Very high	33 Å²	33	29.1 Å²	29.1	27%	0.273	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	131.6	179.6	0	0	0	0	0	112.4	Q229 W317 D319	Q229-A232 PolarHBondContact NE2-O 3.19Å; A232-W317 CarbonylContact C-O 3.58Å; A232-W317 HydrophobicContact CB-CZ2 4.36Å; A232-D319 HydrophobicContact CB-CB 4.16Å; A232-D319 WeakPolarHBondContact CB-OD2 3.42Å
233	N	95.1	Very high	92.4	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	109.6	173.1	-68.2	-100.6	0	0	0	108.3	P228 Q229 G231 A235 W265 W317 V318 D319	P228-N233 VanDerWaalsContact CD-OD1 3.23Å; P228-N233 WeakPolarHBondContact CD-OD1 3.34Å; Q229-N233 WeakPolarHBondContact CG-OD1 3.38Å; Q229-N233 PolarHBondContact N-OD1 2.84Å; Q229-N233 PolarHBondContact O-ND2 3.39Å; Q229-N233 PolarHBondContact O-OD1 3.46Å; G231-N233 PolarHBondContact O-ND2 3.24Å; N233-A235 PolarHBondContact O-N 3.46Å; N233-W265 HydrophobicContact CB-CE3 4.46Å; N233-W265 HydrophobicContact CB-CZ3 3.87Å; N233-W317 WeakPolarHBondContact CB-O 3.38Å; N233-W317 PolarHBondContact N-O 2.01Å; N233-W317 PolarHBondContact ND2-O 2.94Å; N233-V318 WeakPolarHBondContact O-CA 3.5Å; N233-D319 PolarHBondContact O-N 2.89Å; N233-D319 VanDerWaalsContact O-O 3.09Å
234	L	94.6	Very high	91.3	Very high	71 Å²	71	34 Å²	34	37%	0.372	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128.8	-174.1	-63.1	174.7	0	0	0	111.9	L266 D319	L234-L266 HydrophobicContact CB-CB 3.91Å; L234-L266 HydrophobicContact CB-CD2 4.24Å; L234-L266 HydrophobicContact CB-CG 4.39Å; L234-L266 HydrophobicContact CD1-CD2 4.2Å; L234-L266 PolarHBondContact O-N 2.79Å; L234-D319 CarbonylContact C-O 3.41Å; L234-D319 WeakPolarHBondContact CA-O 3.46Å; L234-D319 HydrophobicContact CD2-CB 4.07Å
235	A	93.6	Very high	90.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.5	175.8	0	0	0	0	0	112.6	N233 Y237 R263 F264 W265 V318 D319 G320 A321	N233-A235 PolarHBondContact O-N 3.46Å; A235-Y237 HydrophobicContact CB-CE2 4.21Å; A235-R263 HydrophobicContact CB-CG 4.44Å; A235-F264 CarbonylContact C-O 3.29Å; A235-F264 VanDerWaalsContact CA-O 3.31Å; A235-F264 WeakPolarHBondContact CA-O 3.34Å; A235-W265 HydrophobicContact CB-CE3 3.9Å; A235-W265 HydrophobicContact CB-CZ3 4.02Å; A235-V318 HydrophobicContact CB-CG1 3.7Å; A235-D319 PolarHBondContact N-O 3.32Å; A235-G320 VanDerWaalsContact O-CA 3.25Å; A235-G320 WeakPolarHBondContact O-CA 3.49Å; A235-A321 PolarHBondContact O-N 2.76Å; A235-A321 VanDerWaalsContact O-N 3.08Å
236	A	93.7	Very high	89.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.1	167.4	0	0	0	0	0	109.2	F264 I271 Y275 A321	A236-F264 PolarHBondContact N-O 2.96Å; A236-F264 PolarHBondContact O-N 2.93Å; A236-I271 HydrophobicContact CB-CD1 3.93Å; A236-I271 HydrophobicContact CB-CG1 4.39Å; A236-I271 HydrophobicContact CB-CG2 4.24Å; A236-Y275 HydrophobicContact CB-CE1 3.79Å; A236-A321 WeakPolarHBondContact CA-O 3.32Å
237	Y	93.4	Very high	88.7	Confident	7 Å²	7	42.8 Å²	42.8	3%	0.027	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.1	167	-70.2	-100.7	0	0	0	108.3	A235 L261 P262 R263 L307 N309 V318 A321 V322 V323	A235-Y237 HydrophobicContact CB-CE2 4.21Å; Y237-L261 HydrophobicContact CD1-CB 4.17Å; Y237-P262 WeakPolarHBondContact CA-O 3.49Å; Y237-R263 HydrophobicContact CD1-CB 4.13Å; Y237-R263 HydrophobicContact CD1-CG 4.37Å; Y237-R263 HydrophobicContact CE1-CB 3.94Å; Y237-R263 HydrophobicContact CE1-CG 3.92Å; Y237-R263 HydrophobicContact CE2-CG 4.22Å; Y237-R263 VanDerWaalsContact CZ-CD 3.47Å; Y237-R263 VanDerWaalsContact OH-CD 3.24Å; Y237-R263 WeakPolarHBondContact OH-CD 3.39Å; Y237-L307 HydrophobicContact CD2-CD1 3.58Å; Y237-L307 HydrophobicContact CE2-CD1 3.5Å; Y237-L307 VanDerWaalsContact CE2-CD1 3.5Å; Y237-N309 PolarHBondContact OH-ND2 2.95Å; Y237-V318 HydrophobicContact CE2-CG1 4.36Å; Y237-A321 PolarHBondContact N-O 3.26Å; Y237-V322 WeakPolarHBondContact O-CA 3.46Å; Y237-V323 PolarHBondContact O-N 2.87Å
238	L	92.6	Very high	88.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.3	177.6	-58.5	-172	0	0	0	109.7	I240 P262 F264 K279 L280 L283 V323	L238-I240 HydrophobicContact CB-CD1 3.9Å; L238-I240 HydrophobicContact CB-CG1 4.03Å; L238-I240 HydrophobicContact CD1-CD1 4.2Å; L238-I240 PolarHBondContact O-N 3.03Å; L238-P262 PolarHBondContact N-O 3.42Å; L238-P262 WeakPolarHBondContact O-CD 3.26Å; L238-F264 HydrophobicContact CD1-CD2 4.05Å; L238-F264 HydrophobicContact CD1-CE2 3.56Å; L238-F264 HydrophobicContact CG-CD2 4.03Å; L238-F264 HydrophobicContact CG-CE2 3.88Å; L238-K279 HydrophobicContact CD1-CB 3.92Å; L238-L280 HydrophobicContact CD1-CD2 3.95Å; L238-L280 HydrophobicContact CD1-CG 4.46Å; L238-L283 HydrophobicContact CD1-CD1 4.3Å; L238-V323 WeakPolarHBondContact CA-O 3.28Å; L238-V323 HydrophobicContact CD2-CB 4.06Å
239	L	93.3	Very high	87.8	Confident	22 Å²	22	47.2 Å²	47.2	12%	0.115	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	96.7	165.7	175.8	64	0	0	0	107.4	V250 L261 Y302 V322 V323 H324 V325 L351	L239-V250 HydrophobicContact CD1-CG1 3.58Å; L239-V250 HydrophobicContact CD1-CG2 4.26Å; L239-L261 HydrophobicContact CB-CD1 4.27Å; L239-L261 HydrophobicContact CD1-CD1 4.44Å; L239-L261 HydrophobicContact CD1-CD2 3.87Å; L239-Y302 HydrophobicContact CD2-CD2 4.18Å; L239-Y302 HydrophobicContact CD2-CE2 4.06Å; L239-V322 HydrophobicContact CB-CG1 4.45Å; L239-V323 PolarHBondContact N-O 2.93Å; L239-H324 HydrophobicContact CB-CB 4.39Å; L239-H324 HydrophobicContact CD2-CB 4.28Å; L239-H324 VanDerWaalsContact O-CA 3.31Å; L239-H324 WeakPolarHBondContact O-CA 3.28Å; L239-H324 PolarHBondContact O-CD2 3.27Å; L239-H324 VanDerWaalsContact O-CD2 3.29Å; L239-V325 PolarHBondContact O-N 3.09Å; L239-L351 HydrophobicContact CD2-CD2 3.97Å
240	I	90.6	Very high	87.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.6	-180	-64.9	156	0	0	0	108.6	L238 I242 V250 L251 L280 L283 V325 F333	L238-I240 HydrophobicContact CB-CD1 3.9Å; L238-I240 HydrophobicContact CB-CG1 4.03Å; L238-I240 HydrophobicContact CD1-CD1 4.2Å; L238-I240 PolarHBondContact O-N 3.03Å; I240-I242 HydrophobicContact CG2-CG1 4.34Å; I240-V250 WeakPolarHBondContact O-CA 3.36Å; I240-L251 HydrophobicContact CB-CB 3.83Å; I240-L251 HydrophobicContact CB-CD2 4.26Å; I240-L251 HydrophobicContact CD1-CD2 3.62Å; I240-L251 HydrophobicContact CG2-CB 4.19Å; I240-L251 HydrophobicContact CG2-CD2 4.44Å; I240-L251 PolarHBondContact O-N 2.81Å; I240-L280 HydrophobicContact CD1-CD2 3.74Å; I240-L280 HydrophobicContact CG1-CD2 4.04Å; I240-L283 HydrophobicContact CD1-CD1 3.58Å; I240-V325 WeakPolarHBondContact CA-O 3.46Å; I240-V325 HydrophobicContact CG1-CB 4.3Å; I240-F333 HydrophobicContact CG2-CD2 3.53Å; I240-F333 HydrophobicContact CG2-CE2 3.73Å; I240-F333 HydrophobicContact CG2-CG 4.18Å
241	T	90.5	Very high	87.1	Confident	12 Å²	12	42.5 Å²	42.5	7%	0.074	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134	176.3	54.7	0	0	0	0	110.3	T248 K249 V250 H324 V325 H326 D327	T241-T248 HydrophobicContact CG2-CG2 4.2Å; T241-K249 CarbonylContact C-O 3.52Å; T241-K249 VanDerWaalsContact CA-O 3.3Å; T241-K249 WeakPolarHBondContact CA-O 3.46Å; T241-V250 HydrophobicContact CG2-CG2 4.37Å; T241-H324 WeakPolarHBondContact CG2-NE2 3.46Å; T241-H324 PolarHBondContact OG1-NE2 2.64Å; T241-V325 PolarHBondContact N-O 2.81Å; T241-V325 PolarHBondContact OG1-O 2.79Å; T241-H326 PolarHBondContact O-ND1 3.34Å; T241-H326 PolarHBondContact OG1-ND1 3.33Å; T241-D327 PolarHBondContact O-N 3.46Å
242	I	86.6	Confident	86.7	Confident	13 Å²	13	44.2 Å²	44.2	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.8	-176.9	-52.6	173.8	0	0	0	107	I240 T248 K249 D327 F333	I240-I242 HydrophobicContact CG2-CG1 4.34Å; I242-T248 WeakPolarHBondContact O-CA 3.05Å; I242-K249 HydrophobicContact CB-CB 4.4Å; I242-K249 PolarHBondContact N-O 3.23Å; I242-K249 PolarHBondContact O-N 3Å; I242-D327 HydrophobicContact CG1-CB 4.38Å; I242-F333 HydrophobicContact CD1-CB 4.07Å
243	H	79.1	Confident	86	Confident	78 Å²	78	45.7 Å²	45.7	36%	0.361	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.2	175.7	-166.2	73	0	0	0	110.4	T248 G330	H243-T248 PolarHBondContact ND1-OG1 3.28Å; H243-G330 WeakPolarHBondContact O-CA 3.15Å
244	T	72.3	Confident	85.2	Confident	38 Å²	38	50.6 Å²	50.6	23%	0.233	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	125.6	177	-30.5	0	0	0	0	109.3	G246 T247	T244-G246 VanDerWaalsContact C-N 3.31Å; T244-G246 PolarHBondContact O-N 3.41Å; T244-T247 PolarHBondContact N-O 3.09Å; T244-T247 PolarHBondContact O-N 2.65Å
245	Y	73.7	Confident	84.1	Confident	226 Å²	226	50 Å²	50	89%	0.886	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	45	177.1	-53.4	-67.2	0	0	0	114.3	T247	Y245-T247 PolarHBondContact O-N 3.28Å
246	G	74.9	Confident	83	Confident	62 Å²	62	57.9 Å²	57.9	64%	0.639	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-1.4	178.4	0	0	0	0	0	115	T244	T244-G246 VanDerWaalsContact C-N 3.31Å; T244-G246 PolarHBondContact O-N 3.41Å
247	T	75.9	Confident	81.5	Confident	73 Å²	73	64.6 Å²	64.6	45%	0.448	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.8	176.9	-54.3	0	0	0	0	110.2	T244 Y245 K249	T244-T247 PolarHBondContact N-O 3.09Å; T244-T247 PolarHBondContact O-N 2.65Å; Y245-T247 PolarHBondContact O-N 3.28Å; T247-K249 HydrophobicContact CG2-CG 4.44Å
248	T	81.4	Confident	80.3	Confident	61 Å²	61	68.2 Å²	68.2	37%	0.374	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.3	171.2	-58.5	0	0	0	0	109.3	T241 I242 H243	T241-T248 HydrophobicContact CG2-CG2 4.2Å; I242-T248 WeakPolarHBondContact O-CA 3.05Å; H243-T248 PolarHBondContact ND1-OG1 3.28Å
249	K	84.4	Confident	79.6	Confident	113 Å²	113	71.1 Å²	71.1	49%	0.491	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	159.9	174	-60.5	180	-178.2	177.8	0	109.7	T241 I242 T247	T241-K249 CarbonylContact C-O 3.52Å; T241-K249 VanDerWaalsContact CA-O 3.3Å; T241-K249 WeakPolarHBondContact CA-O 3.46Å; I242-K249 HydrophobicContact CB-CB 4.4Å; I242-K249 PolarHBondContact N-O 3.23Å; I242-K249 PolarHBondContact O-N 3Å; T247-K249 HydrophobicContact CG2-CG 4.44Å
250	V	87	Confident	79.1	Confident	67 Å²	67	71.5 Å²	71.5	41%	0.406	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.4	175.2	178.4	0	0	0	0	108.9	L239 I240 T241 V252 L261	L239-V250 HydrophobicContact CD1-CG1 3.58Å; L239-V250 HydrophobicContact CD1-CG2 4.26Å; I240-V250 WeakPolarHBondContact O-CA 3.36Å; T241-V250 HydrophobicContact CG2-CG2 4.37Å; V250-V252 HydrophobicContact CG1-CG1 4.11Å; V250-V252 PolarHBondContact O-N 2.96Å; V250-L261 HydrophobicContact CG1-CD2 3.89Å
251	L	87.1	Confident	79	Confident	8 Å²	8	73.4 Å²	73.4	4%	0.042	40%	0.395	C	S	.	.			trans	-71.7	122.7	172.2	-169.4	70.2	0	0	0	109.8	I240 P262 L283 F333 Y336	I240-L251 HydrophobicContact CB-CB 3.83Å; I240-L251 HydrophobicContact CB-CD2 4.26Å; I240-L251 HydrophobicContact CD1-CD2 3.62Å; I240-L251 HydrophobicContact CG2-CB 4.19Å; I240-L251 HydrophobicContact CG2-CD2 4.44Å; I240-L251 PolarHBondContact O-N 2.81Å; L251-P262 HydrophobicContact CD2-CG 4.03Å; L251-P262 HydrophobicContact CG-CG 4.2Å; L251-P262 WeakPolarHBondContact O-CD 3.24Å; L251-L283 HydrophobicContact CD2-CD1 4.01Å; L251-F333 HydrophobicContact CD1-CB 4.21Å; L251-F333 HydrophobicContact CD2-CB 4.2Å; L251-F333 HydrophobicContact CD2-CG 4.42Å; L251-Y336 HydrophobicContact CD1-CD2 4.15Å; L251-Y336 HydrophobicContact CD1-CE2 3.23Å; L251-Y336 HydrophobicContact CG-CE2 4.49Å
252	V	86.6	Confident	79	Confident	40 Å²	40	73 Å²	73	24%	0.242	39%	0.392	C	S	.	.			trans	-133.5	139.2	179	-64.4	0	0	0	0	110.7	V250 D254 T259 A260 L261 Y336	V250-V252 HydrophobicContact CG1-CG1 4.11Å; V250-V252 PolarHBondContact O-N 2.96Å; V252-D254 PolarHBondContact O-N 2.99Å; V252-T259 HydrophobicContact CB-CG2 3.99Å; V252-T259 HydrophobicContact CG1-CG2 4.45Å; V252-T259 HydrophobicContact CG2-CG2 3.91Å; V252-A260 CarbonylContact C-O 3.44Å; V252-A260 WeakPolarHBondContact CA-O 3.15Å; V252-L261 HydrophobicContact CG1-CD2 4.47Å; V252-Y336 WeakPolarHBondContact O-CE1 3.36Å; V252-Y336 VanDerWaalsContact O-CZ 3.27Å; V252-Y336 PolarHBondContact O-OH 3.45Å
253	E	80.3	Confident	79.2	Confident	64 Å²	64	75.7 Å²	75.7	30%	0.299	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	113.4	161.5	-66.2	178.7	-168.4	0	0	107.3	Y258 T259 A260 P262	E253-Y258 HydrophobicContact CB-CE2 4.28Å; E253-T259 CarbonylContact O-C 3.6Å; E253-T259 VanDerWaalsContact O-CA 3.29Å; E253-T259 WeakPolarHBondContact O-CA 3.17Å; E253-A260 PolarHBondContact N-O 3.23Å; E253-A260 PolarHBondContact O-N 3.04Å; E253-P262 WeakPolarHBondContact OE1-CA 3.34Å
254	D	78.4	Confident	79.9	Confident	108 Å²	108	73.3 Å²	73.3	58%	0.578	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.7	177.9	-160.8	30.9	0	0	0	109	V252 T259	V252-D254 PolarHBondContact O-N 2.99Å; D254-T259 HydrophobicContact CB-CG2 4.49Å; D254-T259 WeakPolarHBondContact OD1-CB 3.35Å; D254-T259 PolarHBondContact OD1-OG1 3.28Å
255	T	71.1	Confident	80.8	Confident	58 Å²	58	75.9 Å²	75.9	36%	0.356	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	164.8	178.4	66.7	0	0	0	0	108.3	D257 Y258	T255-D257 PolarHBondContact O-N 2.78Å; T255-D257 PolarHBondContact OG1-N 2.82Å; T255-Y258 HydrophobicContact CG2-CE1 4.07Å; T255-Y258 HydrophobicContact CG2-CE2 4.49Å; T255-Y258 PolarHBondContact N-O 2.87Å; T255-Y258 PolarHBondContact O-N 2.59Å; T255-Y258 WeakPolarHBondContact OG1-CD1 3.37Å; T255-Y258 WeakPolarHBondContact OG1-CE1 3.26Å; T255-Y258 PolarHBondContact OG1-N 2.84Å; T255-Y258 VanDerWaalsContact OG1-N 3.1Å; T255-Y258 PolarHBondContact OG1-O 3.08Å
256	D	70.1	Confident	81.7	Confident	166 Å²	166	65.9 Å²	65.9	89%	0.888	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.7	176.7	-64.2	-27.7	0	0	0	112.8
257	D	61.4	Low	82.3	Confident	141 Å²	141	72.6 Å²	72.6	75%	0.754	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-24.6	-175.4	-68.1	-36.9	0	0	0	114.2	T255	T255-D257 PolarHBondContact O-N 2.78Å; T255-D257 PolarHBondContact OG1-N 2.82Å
258	Y	68.7	Low	82.6	Confident	83 Å²	83	79.9 Å²	79.9	33%	0.325	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	150.9	-176.9	68.2	-88.4	0	0	0	113.6	E253 T255 A260	E253-Y258 HydrophobicContact CB-CE2 4.28Å; T255-Y258 HydrophobicContact CG2-CE1 4.07Å; T255-Y258 HydrophobicContact CG2-CE2 4.49Å; T255-Y258 PolarHBondContact N-O 2.87Å; T255-Y258 PolarHBondContact O-N 2.59Å; T255-Y258 WeakPolarHBondContact OG1-CD1 3.37Å; T255-Y258 WeakPolarHBondContact OG1-CE1 3.26Å; T255-Y258 PolarHBondContact OG1-N 2.84Å; T255-Y258 VanDerWaalsContact OG1-N 3.1Å; T255-Y258 PolarHBondContact OG1-O 3.08Å; Y258-A260 HydrophobicContact CD2-CB 3.75Å; Y258-A260 HydrophobicContact CE2-CB 4.05Å
259	T	78.4	Confident	82.8	Confident	61 Å²	61	79.8 Å²	79.8	37%	0.374	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.7	163.9	-45.5	0	0	0	0	108.7	V252 E253 D254	V252-T259 HydrophobicContact CB-CG2 3.99Å; V252-T259 HydrophobicContact CG1-CG2 4.45Å; V252-T259 HydrophobicContact CG2-CG2 3.91Å; E253-T259 CarbonylContact O-C 3.6Å; E253-T259 VanDerWaalsContact O-CA 3.29Å; E253-T259 WeakPolarHBondContact O-CA 3.17Å; D254-T259 HydrophobicContact CB-CG2 4.49Å; D254-T259 WeakPolarHBondContact OD1-CB 3.35Å; D254-T259 PolarHBondContact OD1-OG1 3.28Å
260	A	82.8	Confident	83	Confident	30 Å²	30	79 Å²	79	25%	0.248	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	161.6	-177.6	0	0	0	0	0	113	V252 E253 Y258	V252-A260 CarbonylContact C-O 3.44Å; V252-A260 WeakPolarHBondContact CA-O 3.15Å; E253-A260 PolarHBondContact N-O 3.23Å; E253-A260 PolarHBondContact O-N 3.04Å; Y258-A260 HydrophobicContact CD2-CB 3.75Å; Y258-A260 HydrophobicContact CE2-CB 4.05Å
261	L	89.2	Confident	83.2	Confident	39 Å²	39	77.4 Å²	77.4	20%	0.204	39%	0.393	C	S	.	.			trans	-69.3	146.3	168.3	-65.8	177.8	0	0	0	110.3	Y237 L239 V250 V252 R263	Y237-L261 HydrophobicContact CD1-CB 4.17Å; L239-L261 HydrophobicContact CB-CD1 4.27Å; L239-L261 HydrophobicContact CD1-CD1 4.44Å; L239-L261 HydrophobicContact CD1-CD2 3.87Å; V250-L261 HydrophobicContact CG1-CD2 3.89Å; V252-L261 HydrophobicContact CG1-CD2 4.47Å; L261-R263 PolarHBondContact O-N 2.88Å
262	P	90.4	Very high	83.4	Confident	3 Å²	3	80.2 Å²	80.2	2%	0.019	41%	0.408	C	S	.	.			trans	-50.6	122.7	172.7	-27.6	33.4	0	0	0	112.1	Y237 L238 L251 E253 F264 L283	Y237-P262 WeakPolarHBondContact CA-O 3.49Å; L238-P262 PolarHBondContact N-O 3.42Å; L238-P262 WeakPolarHBondContact O-CD 3.26Å; L251-P262 HydrophobicContact CD2-CG 4.03Å; L251-P262 HydrophobicContact CG-CG 4.2Å; L251-P262 WeakPolarHBondContact O-CD 3.24Å; E253-P262 WeakPolarHBondContact OE1-CA 3.34Å; P262-F264 HydrophobicContact CB-CE2 3.97Å; P262-F264 HydrophobicContact CB-CZ 4.37Å; P262-L283 HydrophobicContact CB-CD1 3.98Å; P262-L283 HydrophobicContact CG-CD1 4.25Å
263	R	90.5	Very high	83.7	Confident	71 Å²	71	82.8 Å²	82.8	27%	0.268	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.2	-173.3	-179.7	176.2	67.1	165.6	-3	111.2	A235 Y237 L261 E311	A235-R263 HydrophobicContact CB-CG 4.44Å; Y237-R263 HydrophobicContact CD1-CB 4.13Å; Y237-R263 HydrophobicContact CD1-CG 4.37Å; Y237-R263 HydrophobicContact CE1-CB 3.94Å; Y237-R263 HydrophobicContact CE1-CG 3.92Å; Y237-R263 HydrophobicContact CE2-CG 4.22Å; Y237-R263 VanDerWaalsContact CZ-CD 3.47Å; Y237-R263 VanDerWaalsContact OH-CD 3.24Å; Y237-R263 WeakPolarHBondContact OH-CD 3.39Å; L261-R263 PolarHBondContact O-N 2.88Å; R263-E311 IonicContact CZ-OE2 3.52Å; R263-E311 IonicContact NH1-OE2 3.14Å; R263-E311 PolarHBondContact NH1-OE2 2.83Å; R263-E311 IonicContact NH2-OE2 3.22Å; R263-E311 PolarHBondContact NH2-OE2 2.96Å
264	F	93	Very high	84.3	Confident	28 Å²	28	84 Å²	84	12%	0.123	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.1	178	-58.6	-80.4	0	0	0	112.2	A235 A236 L238 P262 Y275 K279 L283	A235-F264 CarbonylContact C-O 3.29Å; A235-F264 VanDerWaalsContact CA-O 3.31Å; A235-F264 WeakPolarHBondContact CA-O 3.34Å; A236-F264 PolarHBondContact N-O 2.96Å; A236-F264 PolarHBondContact O-N 2.93Å; L238-F264 HydrophobicContact CD1-CD2 4.05Å; L238-F264 HydrophobicContact CD1-CE2 3.56Å; L238-F264 HydrophobicContact CG-CD2 4.03Å; L238-F264 HydrophobicContact CG-CE2 3.88Å; P262-F264 HydrophobicContact CB-CE2 3.97Å; P262-F264 HydrophobicContact CB-CZ 4.37Å; F264-Y275 PolarHBondContact O-OH 2.82Å; F264-K279 HydrophobicContact CB-CD 4.08Å; F264-K279 HydrophobicContact CB-CG 4.13Å; F264-K279 HydrophobicContact CD1-CB 4.37Å; F264-K279 HydrophobicContact CD1-CD 3.68Å; F264-K279 HydrophobicContact CD1-CG 4.11Å; F264-K279 HydrophobicContact CD2-CB 3.99Å; F264-K279 HydrophobicContact CD2-CD 4.47Å; F264-K279 HydrophobicContact CD2-CG 4Å; F264-K279 HydrophobicContact CE1-CB 4.33Å; F264-K279 HydrophobicContact CE1-CD 4.22Å; F264-K279 HydrophobicContact CE2-CB 3.97Å; F264-K279 HydrophobicContact CE2-CG 4.47Å; F264-K279 HydrophobicContact CG-CB 4.18Å; F264-K279 HydrophobicContact CG-CD 3.8Å; F264-K279 HydrophobicContact CG-CG 3.79Å; F264-K279 HydrophobicContact CZ-CB 4.13Å; F264-L283 HydrophobicContact CE2-CD1 4.06Å; F264-L283 HydrophobicContact CZ-CD1 3.79Å; F264-L283 HydrophobicContact CZ-CD2 4.06Å; F264-L283 HydrophobicContact CZ-CG 3.89Å
265	W	92.2	Very high	85.1	Confident	91 Å²	91	79.3 Å²	79.3	35%	0.345	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.2	172.6	-60.3	108.4	0	0	0	111.7	L227 N233 A235 Y275 V318	L227-W265 HydrophobicContact CD2-CH2 3.66Å; L227-W265 HydrophobicContact CD2-CZ2 4.42Å; L227-W265 HydrophobicContact CD2-CZ3 4.4Å; N233-W265 HydrophobicContact CB-CE3 4.46Å; N233-W265 HydrophobicContact CB-CZ3 3.87Å; A235-W265 HydrophobicContact CB-CE3 3.9Å; A235-W265 HydrophobicContact CB-CZ3 4.02Å; W265-Y275 PolarHBondContact O-OH 2.83Å; W265-V318 HydrophobicContact CH2-CG2 3.87Å; W265-V318 HydrophobicContact CZ3-CG1 4.33Å; W265-V318 HydrophobicContact CZ3-CG2 4.07Å
266	L	91.8	Very high	86.2	Confident	17 Å²	17	77.1 Å²	77.1	9%	0.089	39%	0.387	C	S	.	.			trans	-112.6	112.2	174.4	-179	69.9	0	0	0	108.6	L234 R268 G269 I271 Y275	L234-L266 HydrophobicContact CB-CB 3.91Å; L234-L266 HydrophobicContact CB-CD2 4.24Å; L234-L266 HydrophobicContact CB-CG 4.39Å; L234-L266 HydrophobicContact CD1-CD2 4.2Å; L234-L266 PolarHBondContact O-N 2.79Å; L266-R268 VanDerWaalsContact CD1-O 3.25Å; L266-R268 WeakPolarHBondContact CD1-O 3.31Å; L266-G269 WeakPolarHBondContact CD2-O 3.44Å; L266-I271 HydrophobicContact CD2-CG1 3.79Å; L266-Y275 HydrophobicContact CB-CE2 4.42Å; L266-Y275 HydrophobicContact CD1-CD2 3.64Å; L266-Y275 HydrophobicContact CD1-CE2 3.22Å; L266-Y275 HydrophobicContact CG-CE2 4.38Å
267	K	87	Confident	87.4	Confident	203 Å²	203	71.1 Å²	71.1	88%	0.883	35%	0.353	S	S	*	.	S	Bend	trans	-75.9	-39.2	178.9	-67.7	-174	178.1	-176.8	0	112.4
268	R	82.8	Confident	88.9	Confident	226 Å²	226	69.7 Å²	69.7	85%	0.853	34%	0.337	S	S	*	.	S	Bend	trans	-156	154.2	-177.3	-63.9	-172.8	-179.5	177.8	-1.3	109.6	L266	L266-R268 VanDerWaalsContact CD1-O 3.25Å; L266-R268 WeakPolarHBondContact CD1-O 3.31Å
269	G	85.4	Confident	90.1	Very high	59 Å²	59	67.1 Å²	67.1	61%	0.608	33%	0.327	S	S	*	.	S	Bend	trans	98.6	-164.2	175.3	0	0	0	0	0	113.1	L266	L266-G269 WeakPolarHBondContact CD2-O 3.44Å
270	T	89.4	Confident	90.9	Very high	96 Å²	96	64.2 Å²	64.2	59%	0.589	31%	0.309	S	S	*	.			trans	-109.9	157.5	-179.7	44.7	0	0	0	0	110.9	D272	T270-D272 VanDerWaalsContact C-N 3.33Å; T270-D272 PolarHBondContact O-N 2.97Å; T270-D272 PolarHBondContact OG1-OD2 2.98Å
271	I	89.9	Confident	91.4	Very high	33 Å²	33	65.7 Å²	65.7	17%	0.169	31%	0.313	C	S	.	.			trans	-84.9	82.9	169.6	-56.6	172.2	0	0	0	106.6	A236 L266 Y275 I276 A321 V323	A236-I271 HydrophobicContact CB-CD1 3.93Å; A236-I271 HydrophobicContact CB-CG1 4.39Å; A236-I271 HydrophobicContact CB-CG2 4.24Å; L266-I271 HydrophobicContact CD2-CG1 3.79Å; I271-Y275 HydrophobicContact CG2-CD1 4.1Å; I271-I276 HydrophobicContact CG2-CD1 4.48Å; I271-I276 HydrophobicContact CG2-CG1 4.21Å; I271-A321 HydrophobicContact CD1-CB 3.6Å; I271-V323 HydrophobicContact CG2-CG2 4.03Å
272	D	91.9	Very high	91.5	Very high	68 Å²	68	71 Å²	71	36%	0.364	33%	0.334	S	S	.	.			trans	-102.5	176	178.9	57.1	27.8	0	0	0	112.3	T270 D274 Y275 I276	T270-D272 VanDerWaalsContact C-N 3.33Å; T270-D272 PolarHBondContact O-N 2.97Å; T270-D272 PolarHBondContact OG1-OD2 2.98Å; D272-D274 VanDerWaalsContact C-N 3.25Å; D272-D274 PolarHBondContact O-N 3.1Å; D272-D274 PolarHBondContact OD1-N 3.13Å; D272-Y275 WeakPolarHBondContact O-CB 3.35Å; D272-Y275 PolarHBondContact O-N 2.64Å; D272-Y275 VanDerWaalsContact OD1-CB 3.28Å; D272-Y275 WeakPolarHBondContact OD1-CB 3.45Å; D272-Y275 PolarHBondContact OD1-N 3.41Å; D272-I276 WeakPolarHBondContact O-CD1 3.46Å; D272-I276 WeakPolarHBondContact O-CG1 3.17Å; D272-I276 PolarHBondContact O-N 2.84Å
273	E	92.3	Very high	91.4	Very high	94 Å²	94	73 Å²	73	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-52.6	-43.4	178.1	-178.5	-176.1	154	0	0	111.9	I276 K277 A296 K297	E273-I276 PolarHBondContact O-N 3.27Å; E273-K277 VanDerWaalsContact O-CB 3.29Å; E273-K277 WeakPolarHBondContact O-CB 3.49Å; E273-K277 PolarHBondContact O-N 2.91Å; E273-A296 HydrophobicContact CG-CB 4.16Å; E273-K297 HydrophobicContact CG-CB 4.37Å; E273-K297 WeakPolarHBondContact OE1-CB 3.31Å
274	D	93.8	Very high	91.3	Very high	89 Å²	89	71.1 Å²	71.1	48%	0.476	34%	0.34	S	S	.	.	H	α-helix	trans	-68.9	-39	-178.8	-179.9	36.3	0	0	0	111.5	D272 R278	D272-D274 VanDerWaalsContact C-N 3.25Å; D272-D274 PolarHBondContact O-N 3.1Å; D272-D274 PolarHBondContact OD1-N 3.13Å; D274-R278 WeakPolarHBondContact O-CG 3.31Å; D274-R278 PolarHBondContact O-N 3.46Å; D274-R278 PolarHBondContact O-NH1 2.88Å; D274-R278 IonicContact OD1-NH1 2.67Å; D274-R278 PolarHBondContact OD1-NH1 3.32Å; D274-R278 VanDerWaalsContact OD1-NH1 3.14Å; D274-R278 IonicContact OD2-CZ 3.94Å; D274-R278 IonicContact OD2-NH1 2.78Å; D274-R278 PolarHBondContact OD2-NH1 3.25Å
275	Y	94.3	Very high	91	Very high	10 Å²	10	75 Å²	75	4%	0.039	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-50	170.4	-178.5	-88.6	0	0	0	111.5	A236 F264 W265 L266 I271 D272 R278 K279	A236-Y275 HydrophobicContact CB-CE1 3.79Å; F264-Y275 PolarHBondContact O-OH 2.82Å; W265-Y275 PolarHBondContact O-OH 2.83Å; L266-Y275 HydrophobicContact CB-CE2 4.42Å; L266-Y275 HydrophobicContact CD1-CD2 3.64Å; L266-Y275 HydrophobicContact CD1-CE2 3.22Å; L266-Y275 HydrophobicContact CG-CE2 4.38Å; I271-Y275 HydrophobicContact CG2-CD1 4.1Å; D272-Y275 WeakPolarHBondContact O-CB 3.35Å; D272-Y275 PolarHBondContact O-N 2.64Å; D272-Y275 VanDerWaalsContact OD1-CB 3.28Å; D272-Y275 WeakPolarHBondContact OD1-CB 3.45Å; D272-Y275 PolarHBondContact OD1-N 3.41Å; Y275-R278 PolarHBondContact O-N 3.21Å; Y275-K279 HydrophobicContact CD1-CG 4.12Å; Y275-K279 HydrophobicContact CE1-CD 4.39Å; Y275-K279 HydrophobicContact CE1-CG 3.74Å; Y275-K279 WeakPolarHBondContact O-CG 3.44Å; Y275-K279 PolarHBondContact O-N 2.57Å; Y275-K279 VanDerWaalsContact O-N 3.09Å; Y275-K279 WeakPolarHBondContact OH-CE 3.23Å
276	I	94.3	Very high	90.8	Very high	12 Å²	12	78.1 Å²	78.1	6%	0.062	37%	0.374	C	S	.	.	H	α-helix	trans	-59.1	-49.5	178.9	-66.1	157.7	0	0	0	109.7	I271 D272 E273 R278 K279 L280 A296 V323 V325	I271-I276 HydrophobicContact CG2-CD1 4.48Å; I271-I276 HydrophobicContact CG2-CG1 4.21Å; D272-I276 WeakPolarHBondContact O-CD1 3.46Å; D272-I276 WeakPolarHBondContact O-CG1 3.17Å; D272-I276 PolarHBondContact O-N 2.84Å; E273-I276 PolarHBondContact O-N 3.27Å; I276-R278 VanDerWaalsContact C-N 3.34Å; I276-R278 PolarHBondContact O-N 3.09Å; I276-K279 WeakPolarHBondContact O-CA 3.44Å; I276-K279 PolarHBondContact O-N 3.45Å; I276-L280 HydrophobicContact CG2-CD1 3.82Å; I276-L280 HydrophobicContact CG2-CG 4.09Å; I276-L280 WeakPolarHBondContact O-CG 3.19Å; I276-L280 PolarHBondContact O-N 3.22Å; I276-A296 HydrophobicContact CB-CB 4.38Å; I276-A296 HydrophobicContact CG2-CB 4.05Å; I276-V323 HydrophobicContact CD1-CG1 3.74Å; I276-V323 HydrophobicContact CD1-CG2 4.34Å; I276-V323 HydrophobicContact CG1-CG1 4.27Å; I276-V325 HydrophobicContact CG2-CG2 4.09Å
277	K	95.4	Very high	90.7	Very high	40 Å²	40	78 Å²	78	17%	0.174	37%	0.374	C	S	.	.	H	α-helix	trans	-51.9	-50.6	175.7	178.8	-177.3	167.9	174.3	0	111.4	E273 K279 L280 L281 E289 I292 S293 A296	E273-K277 VanDerWaalsContact O-CB 3.29Å; E273-K277 WeakPolarHBondContact O-CB 3.49Å; E273-K277 PolarHBondContact O-N 2.91Å; K277-K279 PolarHBondContact O-N 2.83Å; K277-L280 PolarHBondContact O-N 2.87Å; K277-L281 HydrophobicContact CG-CD1 4.11Å; K277-L281 HydrophobicContact CG-CG 4.49Å; K277-L281 WeakPolarHBondContact O-CB 3.38Å; K277-L281 WeakPolarHBondContact O-CG 3.3Å; K277-L281 PolarHBondContact O-N 2.83Å; K277-E289 WeakPolarHBondContact CE-OE1 3.4Å; K277-E289 IonicContact NZ-OE1 2.74Å; K277-E289 PolarHBondContact NZ-OE1 3.25Å; K277-I292 HydrophobicContact CG-CG2 4.33Å; K277-S293 WeakPolarHBondContact CD-OG 3.3Å; K277-S293 WeakPolarHBondContact CE-OG 3.5Å; K277-S293 PolarHBondContact NZ-OG 2.98Å; K277-A296 HydrophobicContact CB-CB 3.69Å
278	R	94.3	Very high	91	Very high	111 Å²	111	75.4 Å²	75.4	42%	0.419	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-32.3	177.5	-74.8	-167.8	-57.1	-84.3	1.7	113.3	D274 Y275 I276 K282	D274-R278 WeakPolarHBondContact O-CG 3.31Å; D274-R278 PolarHBondContact O-N 3.46Å; D274-R278 PolarHBondContact O-NH1 2.88Å; D274-R278 IonicContact OD1-NH1 2.67Å; D274-R278 PolarHBondContact OD1-NH1 3.32Å; D274-R278 VanDerWaalsContact OD1-NH1 3.14Å; D274-R278 IonicContact OD2-CZ 3.94Å; D274-R278 IonicContact OD2-NH1 2.78Å; D274-R278 PolarHBondContact OD2-NH1 3.25Å; Y275-R278 PolarHBondContact O-N 3.21Å; I276-R278 VanDerWaalsContact C-N 3.34Å; I276-R278 PolarHBondContact O-N 3.09Å; R278-K282 WeakPolarHBondContact O-CG 3.44Å
279	K	94	Very high	91.5	Very high	29 Å²	29	70.1 Å²	70.1	13%	0.126	35%	0.348	C	S	.	.	H	α-helix	trans	-78.1	-42.9	177.4	-61.4	-40.7	-177.6	169.9	0	112	L238 F264 Y275 I276 K277 L281 K282 L283	L238-K279 HydrophobicContact CD1-CB 3.92Å; F264-K279 HydrophobicContact CB-CD 4.08Å; F264-K279 HydrophobicContact CB-CG 4.13Å; F264-K279 HydrophobicContact CD1-CB 4.37Å; F264-K279 HydrophobicContact CD1-CD 3.68Å; F264-K279 HydrophobicContact CD1-CG 4.11Å; F264-K279 HydrophobicContact CD2-CB 3.99Å; F264-K279 HydrophobicContact CD2-CD 4.47Å; F264-K279 HydrophobicContact CD2-CG 4Å; F264-K279 HydrophobicContact CE1-CB 4.33Å; F264-K279 HydrophobicContact CE1-CD 4.22Å; F264-K279 HydrophobicContact CE2-CB 3.97Å; F264-K279 HydrophobicContact CE2-CG 4.47Å; F264-K279 HydrophobicContact CG-CB 4.18Å; F264-K279 HydrophobicContact CG-CD 3.8Å; F264-K279 HydrophobicContact CG-CG 3.79Å; F264-K279 HydrophobicContact CZ-CB 4.13Å; Y275-K279 HydrophobicContact CD1-CG 4.12Å; Y275-K279 HydrophobicContact CE1-CD 4.39Å; Y275-K279 HydrophobicContact CE1-CG 3.74Å; Y275-K279 WeakPolarHBondContact O-CG 3.44Å; Y275-K279 PolarHBondContact O-N 2.57Å; Y275-K279 VanDerWaalsContact O-N 3.09Å; Y275-K279 WeakPolarHBondContact OH-CE 3.23Å; I276-K279 WeakPolarHBondContact O-CA 3.44Å; I276-K279 PolarHBondContact O-N 3.45Å; K277-K279 PolarHBondContact O-N 2.83Å; K279-L281 VanDerWaalsContact C-N 3.3Å; K279-L281 PolarHBondContact O-N 2.89Å; K279-K282 WeakPolarHBondContact O-CB 3.31Å; K279-K282 PolarHBondContact O-N 3.37Å; K279-L283 PolarHBondContact O-N 3.18Å
280	L	93.5	Very high	91.8	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-58.4	-43.1	173.2	-67.1	175.1	0	0	0	111	L238 I240 I276 K277 K282 L283 N284 I292 M295 A296 V325 F333	L238-L280 HydrophobicContact CD1-CD2 3.95Å; L238-L280 HydrophobicContact CD1-CG 4.46Å; I240-L280 HydrophobicContact CD1-CD2 3.74Å; I240-L280 HydrophobicContact CG1-CD2 4.04Å; I276-L280 HydrophobicContact CG2-CD1 3.82Å; I276-L280 HydrophobicContact CG2-CG 4.09Å; I276-L280 WeakPolarHBondContact O-CG 3.19Å; I276-L280 PolarHBondContact O-N 3.22Å; K277-L280 PolarHBondContact O-N 2.87Å; L280-K282 PolarHBondContact O-N 3.04Å; L280-K282 VanDerWaalsContact O-N 3.16Å; L280-L283 CarbonylContact O-C 3.56Å; L280-L283 PolarHBondContact O-N 3Å; L280-N284 VanDerWaalsContact O-CB 3.3Å; L280-N284 WeakPolarHBondContact O-CB 3.35Å; L280-N284 PolarHBondContact O-N 3.42Å; L280-I292 HydrophobicContact CB-CD1 4.45Å; L280-I292 HydrophobicContact CB-CG2 3.54Å; L280-I292 HydrophobicContact CD1-CG2 4.28Å; L280-M295 HydrophobicContact CD1-CB 4.19Å; L280-A296 HydrophobicContact CD1-CB 4.07Å; L280-V325 HydrophobicContact CD1-CG1 3.84Å; L280-V325 HydrophobicContact CD1-CG2 4.24Å; L280-V325 HydrophobicContact CD2-CB 4.35Å; L280-V325 HydrophobicContact CD2-CG1 4.09Å; L280-V325 HydrophobicContact CD2-CG2 4.31Å; L280-F333 HydrophobicContact CB-CZ 4.36Å; L280-F333 HydrophobicContact CD2-CE1 4.3Å; L280-F333 HydrophobicContact CD2-CZ 3.83Å
281	L	93.6	Very high	91.9	Very high	61 Å²	61	69.3 Å²	69.3	32%	0.319	33%	0.33	S	S	.	.	H	α-helix	trans	-59.1	-26.6	175.8	-76	171.6	0	0	0	113.8	K277 K279 E289 I292	K277-L281 HydrophobicContact CG-CD1 4.11Å; K277-L281 HydrophobicContact CG-CG 4.49Å; K277-L281 WeakPolarHBondContact O-CB 3.38Å; K277-L281 WeakPolarHBondContact O-CG 3.3Å; K277-L281 PolarHBondContact O-N 2.83Å; K279-L281 VanDerWaalsContact C-N 3.3Å; K279-L281 PolarHBondContact O-N 2.89Å; L281-E289 HydrophobicContact CD1-CG 4.3Å; L281-E289 HydrophobicContact CD2-CB 4.4Å; L281-E289 HydrophobicContact CD2-CG 4.21Å; L281-I292 HydrophobicContact CD2-CB 4.04Å; L281-I292 HydrophobicContact CD2-CG1 4.1Å; L281-I292 HydrophobicContact CD2-CG2 3.93Å; L281-I292 HydrophobicContact CG-CB 4.47Å; L281-I292 HydrophobicContact CG-CG2 3.82Å
282	K	91.1	Very high	92.2	Very high	150 Å²	150	67.8 Å²	67.8	65%	0.652	32%	0.322	S	S	*	.	H	α-helix	trans	-76.9	-27.5	174.8	-69.8	-177.2	177.2	-154.6	0	113.3	R278 K279 L280	R278-K282 WeakPolarHBondContact O-CG 3.44Å; K279-K282 WeakPolarHBondContact O-CB 3.31Å; K279-K282 PolarHBondContact O-N 3.37Å; L280-K282 PolarHBondContact O-N 3.04Å; L280-K282 VanDerWaalsContact O-N 3.16Å
283	L	89.4	Confident	92.3	Very high	45 Å²	45	65.8 Å²	65.8	24%	0.236	31%	0.313	C	S	.	.	H	α-helix	trans	-91.4	-22.8	178	-62.3	176	0	0	0	112	L238 I240 L251 P262 F264 K279 L280 F333	L238-L283 HydrophobicContact CD1-CD1 4.3Å; I240-L283 HydrophobicContact CD1-CD1 3.58Å; L251-L283 HydrophobicContact CD2-CD1 4.01Å; P262-L283 HydrophobicContact CB-CD1 3.98Å; P262-L283 HydrophobicContact CG-CD1 4.25Å; F264-L283 HydrophobicContact CE2-CD1 4.06Å; F264-L283 HydrophobicContact CZ-CD1 3.79Å; F264-L283 HydrophobicContact CZ-CD2 4.06Å; F264-L283 HydrophobicContact CZ-CG 3.89Å; K279-L283 PolarHBondContact O-N 3.18Å; L280-L283 CarbonylContact O-C 3.56Å; L280-L283 PolarHBondContact O-N 3Å; L283-F333 HydrophobicContact CB-CD1 3.9Å; L283-F333 HydrophobicContact CB-CE1 4.01Å
284	N	88.8	Confident	92.3	Very high	32 Å²	32	68.3 Å²	68.3	17%	0.171	33%	0.325	C	S	.	.			trans	-63	131.7	-177.4	177.8	44.9	0	0	0	111.6	L280 Y286 C287 I292 C332 F333	L280-N284 VanDerWaalsContact O-CB 3.3Å; L280-N284 WeakPolarHBondContact O-CB 3.35Å; L280-N284 PolarHBondContact O-N 3.42Å; N284-Y286 PolarHBondContact OD1-N 2.87Å; N284-C287 PolarHBondContact ND2-O 3.42Å; N284-C287 WeakPolarHBondContact OD1-CB 3.31Å; N284-C287 PolarHBondContact OD1-N 3.06Å; N284-I292 HydrophobicContact CB-CD1 3.78Å; N284-I292 HydrophobicContact CB-CG1 4.19Å; N284-C332 PolarHBondContact OD1-O 3.37Å; N284-F333 HydrophobicContact CB-CE1 4.31Å
285	L	85.7	Confident	92.3	Very high	110 Å²	110	64.6 Å²	64.6	58%	0.576	31%	0.305	S	S	*	.	S	Bend	trans	-107	-35.6	178.3	-65.2	176.3	0	0	0	112.6	C332	L285-C332 PolarHBondContact N-O 3.18Å
286	Y	87.3	Confident	92.3	Very high	155 Å²	155	64.3 Å²	64.3	61%	0.608	30%	0.304	S	S	*	.	S	Bend	trans	-130.9	-29.7	-166.1	-62	-74.1	0	0	0	114.8	N284 E331 G334	N284-Y286 PolarHBondContact OD1-N 2.87Å; Y286-E331 VanDerWaalsContact CD2-O 3.26Å; Y286-E331 WeakPolarHBondContact CD2-O 3.45Å; Y286-G334 WeakPolarHBondContact CD2-O 3.29Å; Y286-G334 WeakPolarHBondContact CE2-O 3.36Å
287	C	90.1	Very high	92.2	Very high	14 Å²	14	71.1 Å²	71.1	10%	0.095	33%	0.334	C	S	.	.			trans	-76.8	152.4	-171	-71	0	0	0	0	112.6	N284 E291 I292 C332	N284-C287 PolarHBondContact ND2-O 3.42Å; N284-C287 WeakPolarHBondContact OD1-CB 3.31Å; N284-C287 PolarHBondContact OD1-N 3.06Å; C287-E291 WeakPolarHBondContact CA-OE2 3.47Å; C287-E291 HydrophobicContact CB-CB 4.13Å; C287-I292 HydrophobicContact CB-CD1 4.26Å; C287-I292 HydrophobicContact CB-CG1 4.27Å; C287-C332 HydrophobicContact CB-CB 3.71Å; C287-C332 WeakPolarHBondContact CB-SG 3.08Å; C287-C332 WeakPolarHBondContact SG-CA 3.39Å; C287-C332 WeakPolarHBondContact SG-CB 3.21Å; C287-C332 CovalentContact SG-SG 2.01Å; C287-C332 PolarHBondContact SG-SG 3.29Å
288	K	92.7	Very high	92	Very high	149 Å²	149	72.1 Å²	72.1	65%	0.648	36%	0.356	S	S	*	.			trans	-71.2	156.3	174.4	-64.4	175.8	-175.4	169.4	0	110	S290 E291 I292	K288-S290 PolarHBondContact O-N 2.91Å; K288-S290 VanDerWaalsContact O-N 3.15Å; K288-E291 WeakPolarHBondContact CB-OE2 3.19Å; K288-E291 PolarHBondContact N-OE2 2.89Å; K288-E291 PolarHBondContact O-N 3.46Å; K288-I292 PolarHBondContact O-N 2.89Å; K288-I292 VanDerWaalsContact O-N 3.12Å
289	E	93.3	Very high	91.8	Very high	116 Å²	116	68 Å²	68	54%	0.542	35%	0.348	S	S	.	.	H	α-helix	trans	-57.5	-32	176.7	-173.5	179.1	163.7	0	0	112.7	K277 L281 I292 S293	K277-E289 WeakPolarHBondContact CE-OE1 3.4Å; K277-E289 IonicContact NZ-OE1 2.74Å; K277-E289 PolarHBondContact NZ-OE1 3.25Å; L281-E289 HydrophobicContact CD1-CG 4.3Å; L281-E289 HydrophobicContact CD2-CB 4.4Å; L281-E289 HydrophobicContact CD2-CG 4.21Å; E289-I292 PolarHBondContact O-N 3.29Å; E289-S293 WeakPolarHBondContact O-CB 3.46Å; E289-S293 PolarHBondContact O-N 2.91Å; E289-S293 PolarHBondContact O-OG 3.43Å
290	S	93.2	Very high	91.6	Very high	72 Å²	72	71.8 Å²	71.8	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-63.3	-44	175.3	54.2	0	0	0	0	112.4	K288 S293 E294	K288-S290 PolarHBondContact O-N 2.91Å; K288-S290 VanDerWaalsContact O-N 3.15Å; S290-S293 WeakPolarHBondContact O-CB 3.48Å; S290-S293 PolarHBondContact O-N 2.83Å; S290-E294 PolarHBondContact O-N 3.08Å
291	E	92	Very high	91.4	Very high	66 Å²	66	76.5 Å²	76.5	31%	0.308	39%	0.388	S	S	.	.	H	α-helix	trans	-65.9	-42.4	178.9	-65.7	167.3	130.9	0	0	110.3	C287 K288 S293 E294 M295	C287-E291 WeakPolarHBondContact CA-OE2 3.47Å; C287-E291 HydrophobicContact CB-CB 4.13Å; K288-E291 WeakPolarHBondContact CB-OE2 3.19Å; K288-E291 PolarHBondContact N-OE2 2.89Å; K288-E291 PolarHBondContact O-N 3.46Å; E291-S293 VanDerWaalsContact C-N 3.29Å; E291-S293 PolarHBondContact O-N 2.88Å; E291-E294 PolarHBondContact O-N 3.32Å; E291-M295 HydrophobicContact CB-CE 4.25Å; E291-M295 WeakPolarHBondContact O-CE 3.37Å; E291-M295 PolarHBondContact O-N 2.81Å
292	I	94.3	Very high	91.2	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-64.4	-34.9	174.8	-62.1	-69.7	0	0	0	111.9	K277 L280 L281 N284 C287 K288 E289 M295 A296 F333	K277-I292 HydrophobicContact CG-CG2 4.33Å; L280-I292 HydrophobicContact CB-CD1 4.45Å; L280-I292 HydrophobicContact CB-CG2 3.54Å; L280-I292 HydrophobicContact CD1-CG2 4.28Å; L281-I292 HydrophobicContact CD2-CB 4.04Å; L281-I292 HydrophobicContact CD2-CG1 4.1Å; L281-I292 HydrophobicContact CD2-CG2 3.93Å; L281-I292 HydrophobicContact CG-CB 4.47Å; L281-I292 HydrophobicContact CG-CG2 3.82Å; N284-I292 HydrophobicContact CB-CD1 3.78Å; N284-I292 HydrophobicContact CB-CG1 4.19Å; C287-I292 HydrophobicContact CB-CD1 4.26Å; C287-I292 HydrophobicContact CB-CG1 4.27Å; K288-I292 PolarHBondContact O-N 2.89Å; K288-I292 VanDerWaalsContact O-N 3.12Å; E289-I292 PolarHBondContact O-N 3.29Å; I292-M295 HydrophobicContact CD1-CE 3.7Å; I292-M295 HydrophobicContact CD1-SD 4.5Å; I292-M295 HydrophobicContact CG1-CE 4.4Å; I292-M295 PolarHBondContact O-N 2.86Å; I292-A296 WeakPolarHBondContact O-CB 3.25Å; I292-A296 PolarHBondContact O-N 2.87Å; I292-F333 HydrophobicContact CD1-CE1 4.2Å; I292-F333 HydrophobicContact CD1-CZ 3.83Å
293	S	94.4	Very high	91.2	Very high	27 Å²	27	73.2 Å²	73.2	19%	0.189	37%	0.368	C	S	.	.	H	α-helix	trans	-65.7	-42.4	175.7	-56.1	0	0	0	0	111.2	K277 E289 S290 E291 A296 K297	K277-S293 WeakPolarHBondContact CD-OG 3.3Å; K277-S293 WeakPolarHBondContact CE-OG 3.5Å; K277-S293 PolarHBondContact NZ-OG 2.98Å; E289-S293 WeakPolarHBondContact O-CB 3.46Å; E289-S293 PolarHBondContact O-N 2.91Å; E289-S293 PolarHBondContact O-OG 3.43Å; S290-S293 WeakPolarHBondContact O-CB 3.48Å; S290-S293 PolarHBondContact O-N 2.83Å; E291-S293 VanDerWaalsContact C-N 3.29Å; E291-S293 PolarHBondContact O-N 2.88Å; S293-A296 PolarHBondContact O-N 2.76Å; S293-K297 WeakPolarHBondContact O-CB 3.42Å; S293-K297 PolarHBondContact O-N 3.48Å
294	E	93	Very high	91.3	Very high	147 Å²	147	75.7 Å²	75.7	69%	0.687	39%	0.385	S	S	*	.	H	α-helix	trans	-62.6	-42.7	175	-71.3	-179	175.8	0	0	112	S290 E291 K297 G298	S290-E294 PolarHBondContact O-N 3.08Å; E291-E294 PolarHBondContact O-N 3.32Å; E294-K297 PolarHBondContact O-N 3.04Å; E294-G298 PolarHBondContact O-N 3.23Å
295	M	93.2	Very high	91.5	Very high	11 Å²	11	75.2 Å²	75.2	5%	0.054	39%	0.388	C	S	.	.	H	α-helix	trans	-61.5	-43.8	174.7	-76.1	-174.8	-106.1	0	0	112.7	L280 E291 I292 K297 G298 G299 V325 H326 D327 C332 F333	L280-M295 HydrophobicContact CD1-CB 4.19Å; E291-M295 HydrophobicContact CB-CE 4.25Å; E291-M295 WeakPolarHBondContact O-CE 3.37Å; E291-M295 PolarHBondContact O-N 2.81Å; I292-M295 HydrophobicContact CD1-CE 3.7Å; I292-M295 HydrophobicContact CD1-SD 4.5Å; I292-M295 HydrophobicContact CG1-CE 4.4Å; I292-M295 PolarHBondContact O-N 2.86Å; M295-K297 VanDerWaalsContact C-N 3.34Å; M295-G298 PolarHBondContact O-N 3Å; M295-G299 PolarHBondContact O-N 2.89Å; M295-V325 HydrophobicContact CB-CG1 3.76Å; M295-V325 HydrophobicContact CG-CG1 4.42Å; M295-H326 WeakPolarHBondContact CG-O 3.41Å; M295-D327 HydrophobicContact SD-CB 4.19Å; M295-C332 HydrophobicContact CE-CB 4.06Å; M295-C332 WeakPolarHBondContact CE-SG 3.43Å; M295-F333 HydrophobicContact SD-CE2 3.84Å; M295-F333 HydrophobicContact SD-CZ 4.23Å
296	A	94.5	Very high	91.9	Very high	3 Å²	3	71.3 Å²	71.3	3%	0.025	37%	0.366	C	S	.	.	H	α-helix	trans	-63.1	-42.1	177.3	0	0	0	0	0	111.7	E273 I276 K277 L280 I292 S293 G298 G299	E273-A296 HydrophobicContact CG-CB 4.16Å; I276-A296 HydrophobicContact CB-CB 4.38Å; I276-A296 HydrophobicContact CG2-CB 4.05Å; K277-A296 HydrophobicContact CB-CB 3.69Å; L280-A296 HydrophobicContact CD1-CB 4.07Å; I292-A296 WeakPolarHBondContact O-CB 3.25Å; I292-A296 PolarHBondContact O-N 2.87Å; S293-A296 PolarHBondContact O-N 2.76Å; A296-G298 VanDerWaalsContact C-N 3.33Å; A296-G298 PolarHBondContact O-N 3Å; A296-G299 PolarHBondContact O-N 2.8Å; A296-G299 VanDerWaalsContact O-N 3.09Å
297	K	93.3	Very high	92.1	Very high	155 Å²	155	64 Å²	64	67%	0.674	34%	0.337	S	S	*	.	H	α-helix	trans	-65.3	-35.9	177.5	-170.8	176	179.2	-178.6	0	112.9	E273 S293 E294 M295 G299	E273-K297 HydrophobicContact CG-CB 4.37Å; E273-K297 WeakPolarHBondContact OE1-CB 3.31Å; S293-K297 WeakPolarHBondContact O-CB 3.42Å; S293-K297 PolarHBondContact O-N 3.48Å; E294-K297 PolarHBondContact O-N 3.04Å; M295-K297 VanDerWaalsContact C-N 3.34Å; K297-G299 PolarHBondContact O-N 2.89Å
298	G	89.2	Confident	92.1	Very high	62 Å²	62	65.1 Å²	65.1	64%	0.639	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.5	173.4	0	0	0	0	0	114.2	E294 M295 A296 Q300	E294-G298 PolarHBondContact O-N 3.23Å; M295-G298 PolarHBondContact O-N 3Å; A296-G298 VanDerWaalsContact C-N 3.33Å; A296-G298 PolarHBondContact O-N 3Å; G298-Q300 PolarHBondContact O-N 3.24Å
299	G	90.2	Very high	91.9	Very high	25 Å²	25	58.9 Å²	58.9	26%	0.258	31%	0.314	S	S	.	.			trans	-62.1	127.1	-177.1	0	0	0	0	0	112.2	M295 A296 K297 H324	M295-G299 PolarHBondContact O-N 2.89Å; A296-G299 PolarHBondContact O-N 2.8Å; A296-G299 VanDerWaalsContact O-N 3.09Å; K297-G299 PolarHBondContact O-N 2.89Å; G299-H324 CarbonylContact C-O 3.45Å; G299-H324 VanDerWaalsContact CA-O 3.31Å; G299-H324 WeakPolarHBondContact CA-O 3.47Å
300	Q	91.3	Very high	91.8	Very high	107 Å²	107	58 Å²	58	50%	0.5	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122	177.7	-173.7	175.4	6	0	0	110	G298 Y302 H324	G298-Q300 PolarHBondContact O-N 3.24Å; Q300-Y302 HydrophobicContact CG-CD1 4.39Å; Q300-Y302 HydrophobicContact CG-CE1 4.24Å; Q300-Y302 PolarHBondContact O-N 2.84Å; Q300-H324 PolarHBondContact N-O 2.97Å; Q300-H324 PolarHBondContact O-N 3.44Å
301	Q	89.3	Confident	91.8	Very high	100 Å²	100	56 Å²	56	47%	0.467	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	109.2	171.3	-171.8	168.8	-0.5	0	0	109.4	T304 A321	Q301-T304 PolarHBondContact NE2-OG1 3.08Å; Q301-A321 HydrophobicContact CG-CB 4.19Å
302	Y	88.3	Confident	92	Very high	78 Å²	78	52.9 Å²	52.9	31%	0.306	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-30.5	178.6	-82.5	-43.4	0	0	0	113	L239 Q300 V322 H324 L351	L239-Y302 HydrophobicContact CD2-CD2 4.18Å; L239-Y302 HydrophobicContact CD2-CE2 4.06Å; Q300-Y302 HydrophobicContact CG-CD1 4.39Å; Q300-Y302 HydrophobicContact CG-CE1 4.24Å; Q300-Y302 PolarHBondContact O-N 2.84Å; Y302-V322 PolarHBondContact N-O 3.41Å; Y302-H324 HydrophobicContact CD2-CB 3.35Å; Y302-H324 HydrophobicContact CE2-CB 3.08Å; Y302-H324 AromaticContact CE2-CG 3.38Å; Y302-H324 AromaticContact CE2-ND1 3.49Å; Y302-H324 WeakPolarHBondContact CE2-ND1 3.38Å; Y302-H324 HydrophobicContact CG-CB 4.39Å; Y302-H324 AromaticContact CZ-CG 3.98Å; Y302-H324 AromaticContact CZ-ND1 3.58Å; Y302-H324 PolarHBondContact OH-ND1 3.21Å; Y302-H324 VanDerWaalsContact OH-ND1 3.13Å; Y302-L351 HydrophobicContact CE2-CD2 3.81Å
303	Y	90.9	Very high	92.2	Very high	63 Å²	63	52.9 Å²	52.9	25%	0.247	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	148.8	-178.2	-179.2	-95.4	0	0	0	110.9	Y306 L307 A321 V322 V371	Y303-Y306 VanDerWaalsContact CE1-O 3.26Å; Y303-Y306 WeakPolarHBondContact CE1-O 3.23Å; Y303-Y306 PolarHBondContact OH-N 2.61Å; Y303-Y306 PolarHBondContact OH-O 3.42Å; Y303-L307 HydrophobicContact CD1-CD2 3.6Å; Y303-L307 HydrophobicContact CE1-CD2 3.6Å; Y303-L307 HydrophobicContact CE1-CG 4.33Å; Y303-A321 WeakPolarHBondContact O-CA 3.39Å; Y303-A321 WeakPolarHBondContact O-CB 3.25Å; Y303-V322 PolarHBondContact N-O 2.97Å; Y303-V322 PolarHBondContact O-N 3.02Å; Y303-V322 VanDerWaalsContact O-N 3.08Å; Y303-V371 HydrophobicContact CD2-CG1 3.95Å; Y303-V371 HydrophobicContact CE2-CG1 4.18Å; Y303-V371 HydrophobicContact CG-CG1 4.36Å
304	T	91.4	Very high	92.3	Very high	97 Å²	97	52.6 Å²	52.6	60%	0.595	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.4	142	168.8	-158.9	0	0	0	0	110.3	Q301 G320	Q301-T304 PolarHBondContact NE2-OG1 3.08Å; T304-G320 CarbonylContact C-O 3.55Å; T304-G320 VanDerWaalsContact CA-O 3.23Å; T304-G320 WeakPolarHBondContact CA-O 3.12Å
305	G	93	Very high	92.5	Very high	22 Å²	22	46.4 Å²	46.4	23%	0.227	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.2	-145.3	177.7	0	0	0	0	0	112.2	D319 G320	G305-D319 CarbonylContact O-C 3.57Å; G305-D319 WeakPolarHBondContact O-CA 3.19Å; G305-G320 PolarHBondContact N-O 3.23Å; G305-G320 PolarHBondContact O-N 3.12Å
306	Y	94.6	Very high	92.7	Very high	28 Å²	28	45.9 Å²	45.9	11%	0.11	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.1	-175.1	-173.9	-101.6	0	0	0	113.3	N214 Y216 E217 Y303 N312 W317 D319	N214-Y306 PolarHBondContact ND2-OH 2.95Å; Y216-Y306 HydrophobicContact CD1-CD1 4.46Å; Y216-Y306 HydrophobicContact CD1-CD2 4.12Å; Y216-Y306 AromaticContact CD1-CG 3.85Å; Y216-Y306 HydrophobicContact CD1-CG 3.85Å; Y216-Y306 AromaticContact CD2-CD2 3.04Å; Y216-Y306 HydrophobicContact CD2-CD2 3.04Å; Y216-Y306 AromaticContact CD2-CE2 3.47Å; Y216-Y306 HydrophobicContact CD2-CE2 3.47Å; Y216-Y306 VanDerWaalsContact CD2-CE2 3.47Å; Y216-Y306 AromaticContact CD2-CG 3.67Å; Y216-Y306 HydrophobicContact CD2-CG 3.67Å; Y216-Y306 HydrophobicContact CE1-CD2 4.47Å; Y216-Y306 HydrophobicContact CE1-CG 4.25Å; Y216-Y306 AromaticContact CE2-CD2 3.47Å; Y216-Y306 HydrophobicContact CE2-CD2 3.47Å; Y216-Y306 VanDerWaalsContact CE2-CD2 3.47Å; Y216-Y306 HydrophobicContact CE2-CE2 4.24Å; Y216-Y306 HydrophobicContact CE2-CG 4.06Å; Y216-Y306 HydrophobicContact CG-CD1 4.11Å; Y216-Y306 AromaticContact CG-CD2 3.4Å; Y216-Y306 HydrophobicContact CG-CD2 3.4Å; Y216-Y306 AromaticContact CG-CE2 3.82Å; Y216-Y306 HydrophobicContact CG-CE2 3.82Å; Y216-Y306 AromaticContact CG-CG 3.52Å; Y216-Y306 HydrophobicContact CG-CG 3.52Å; E217-Y306 HydrophobicContact CG-CE1 4.31Å; E217-Y306 VanDerWaalsContact CG-OH 3.24Å; E217-Y306 WeakPolarHBondContact CG-OH 3.19Å; E217-Y306 PolarHBondContact OE1-OH 3.49Å; Y303-Y306 VanDerWaalsContact CE1-O 3.26Å; Y303-Y306 WeakPolarHBondContact CE1-O 3.23Å; Y303-Y306 PolarHBondContact OH-N 2.61Å; Y303-Y306 PolarHBondContact OH-O 3.42Å; Y306-N312 VanDerWaalsContact CZ-ND2 3.34Å; Y306-N312 PolarHBondContact OH-ND2 3.08Å; Y306-W317 HydrophobicContact CD2-CB 4.3Å; Y306-W317 AromaticContact CD2-CD1 3.59Å; Y306-W317 HydrophobicContact CD2-CG 4.09Å; Y306-W317 HydrophobicContact CE2-CB 3.52Å; Y306-W317 AromaticContact CE2-CD1 3.67Å; Y306-W317 AromaticContact CE2-CG 3.68Å; Y306-W317 HydrophobicContact CE2-CG 3.68Å; Y306-D319 VanDerWaalsContact CA-OD1 3.31Å; Y306-D319 WeakPolarHBondContact CA-OD1 3.42Å
307	L	92.5	Very high	92.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	111.6	178.9	-65.7	175.5	0	0	0	109.5	Y237 Y303 N309 N312 V318 V322 L369	Y237-L307 HydrophobicContact CD2-CD1 3.58Å; Y237-L307 HydrophobicContact CE2-CD1 3.5Å; Y237-L307 VanDerWaalsContact CE2-CD1 3.5Å; Y303-L307 HydrophobicContact CD1-CD2 3.6Å; Y303-L307 HydrophobicContact CE1-CD2 3.6Å; Y303-L307 HydrophobicContact CE1-CG 4.33Å; L307-N309 PolarHBondContact O-N 3.05Å; L307-N312 PolarHBondContact O-ND2 2.83Å; L307-V318 HydrophobicContact CB-CB 4.25Å; L307-V318 HydrophobicContact CB-CG1 4.06Å; L307-V318 HydrophobicContact CD1-CG1 4.1Å; L307-V318 PolarHBondContact N-O 3.42Å; L307-V322 HydrophobicContact CD2-CG2 4.16Å; L307-L369 HydrophobicContact CB-CD1 4.19Å; L307-L369 HydrophobicContact CD2-CD1 4.49Å
308	K	89.2	Confident	92.9	Very high	39 Å²	39	39.4 Å²	39.4	17%	0.17	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-61.3	112	175.6	-158.7	179.1	-156.6	162.1	0	109.3	E176 L369 T370	E176-K308 IonicContact OE1-NZ 2.87Å; E176-K308 PolarHBondContact OE1-NZ 3.32Å; E176-K308 IonicContact OE2-NZ 2.78Å; E176-K308 PolarHBondContact OE2-NZ 3.34Å; K308-L369 WeakPolarHBondContact O-CD1 3.28Å; K308-T370 VanDerWaalsContact CB-O 3.24Å; K308-T370 WeakPolarHBondContact CB-O 3.39Å
309	N	90	Very high	93.2	Very high	17 Å²	17	37.6 Å²	37.6	9%	0.091	19%	0.188	C	C	.	.			trans	-134.5	142.1	-176.1	-169.9	-66.9	0	0	0	109.4	Y237 L307 E311 N312 V318	Y237-N309 PolarHBondContact OH-ND2 2.95Å; L307-N309 PolarHBondContact O-N 3.05Å; N309-E311 PolarHBondContact O-N 3.4Å; N309-E311 VanDerWaalsContact O-N 3.11Å; N309-E311 WeakPolarHBondContact OD1-CB 3.19Å; N309-E311 WeakPolarHBondContact OD1-CG 3.34Å; N309-E311 PolarHBondContact OD1-N 2.84Å; N309-N312 PolarHBondContact N-ND2 2.94Å; N309-N312 VanDerWaalsContact N-ND2 3.12Å; N309-N312 VanDerWaalsContact O-CB 3.27Å; N309-N312 WeakPolarHBondContact O-CB 3.42Å; N309-N312 PolarHBondContact O-N 2.64Å; N309-V318 HydrophobicContact CB-CB 4.44Å; N309-V318 HydrophobicContact CB-CG2 4.03Å
310	K	90.1	Very high	93.3	Very high	97 Å²	97	36.7 Å²	36.7	42%	0.422	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.1	178.6	67.2	-179.4	-179.4	-175.4	0	113.4	P165 N312	P165-K310 HydrophobicContact CB-CD 4.13Å; P165-K310 HydrophobicContact CB-CG 4.2Å; P165-K310 WeakPolarHBondContact CD-O 3.49Å; P165-K310 HydrophobicContact CG-CB 3.75Å; P165-K310 HydrophobicContact CG-CD 3.99Å; P165-K310 HydrophobicContact CG-CG 3.77Å; P165-K310 VanDerWaalsContact CG-O 3.3Å; P165-K310 WeakPolarHBondContact CG-O 3.39Å; K310-N312 VanDerWaalsContact C-N 3.34Å
311	E	93.2	Very high	93.4	Very high	30 Å²	30	31.6 Å²	31.6	14%	0.14	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.6	179.1	-57.5	176.8	142.6	0	0	112.8	Y164 L227 R263 N309	Y164-E311 PolarHBondContact OH-O 2.99Å; L227-E311 HydrophobicContact CD2-CB 4.09Å; L227-E311 HydrophobicContact CG-CB 4.38Å; R263-E311 IonicContact CZ-OE2 3.52Å; R263-E311 IonicContact NH1-OE2 3.14Å; R263-E311 PolarHBondContact NH1-OE2 2.83Å; R263-E311 IonicContact NH2-OE2 3.22Å; R263-E311 PolarHBondContact NH2-OE2 2.96Å; N309-E311 PolarHBondContact O-N 3.4Å; N309-E311 VanDerWaalsContact O-N 3.11Å; N309-E311 WeakPolarHBondContact OD1-CB 3.19Å; N309-E311 WeakPolarHBondContact OD1-CG 3.34Å; N309-E311 PolarHBondContact OD1-N 2.84Å
312	N	96.2	Very high	93.6	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.011	14%	0.136	C	C	.	.			trans	-61.7	144.7	175.3	-67.5	-13.2	0	0	0	110.2	T219 Y306 L307 N309 K310 W317 V318	T219-N312 HydrophobicContact CG2-CB 4.14Å; Y306-N312 VanDerWaalsContact CZ-ND2 3.34Å; Y306-N312 PolarHBondContact OH-ND2 3.08Å; L307-N312 PolarHBondContact O-ND2 2.83Å; N309-N312 PolarHBondContact N-ND2 2.94Å; N309-N312 VanDerWaalsContact N-ND2 3.12Å; N309-N312 VanDerWaalsContact O-CB 3.27Å; N309-N312 WeakPolarHBondContact O-CB 3.42Å; N309-N312 PolarHBondContact O-N 2.64Å; K310-N312 VanDerWaalsContact C-N 3.34Å; N312-W317 HydrophobicContact CB-CB 4.37Å; N312-W317 WeakPolarHBondContact OD1-CA 3.31Å; N312-V318 PolarHBondContact OD1-N 3.06Å
313	T	97.7	Very high	93.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.			trans	-126.2	177.8	175.2	73.2	0	0	0	0	109.5	Y164 N214 T219 F221 G223 N315 A316	Y164-T313 HydrophobicContact CE2-CG2 3.8Å; N214-T313 PolarHBondContact ND2-O 3.39Å; N214-T313 VanDerWaalsContact ND2-O 3.1Å; T219-T313 VanDerWaalsContact CG2-C 3.43Å; T219-T313 WeakPolarHBondContact CG2-O 3.4Å; T219-T313 WeakPolarHBondContact OG1-CA 3.48Å; F221-T313 HydrophobicContact CD1-CG2 3.91Å; F221-T313 CarbonylContact O-C 3.46Å; F221-T313 WeakPolarHBondContact O-CA 3.03Å; F221-T313 WeakPolarHBondContact O-CB 3.43Å; G223-T313 WeakPolarHBondContact O-CB 3.26Å; G223-T313 PolarHBondContact O-OG1 3.18Å; T313-N315 PolarHBondContact O-N 3.09Å; T313-N315 PolarHBondContact OG1-N 3.45Å; T313-N315 VanDerWaalsContact OG1-N 3.08Å; T313-A316 PolarHBondContact N-O 3.38Å; T313-A316 PolarHBondContact OG1-N 3.36Å; T313-A316 PolarHBondContact OG1-O 2.9Å
314	D	97.2	Very high	94.1	Very high	21 Å²	21	22.2 Å²	22.2	11%	0.112	12%	0.117	C	C	.	.	S	Bend	trans	-67.4	-10	172.2	-67.5	3.1	0	0	0	112.2	Y188 T190 N214 T219 F221	Y188-D314 WeakPolarHBondContact CE1-OD2 3.45Å; Y188-D314 PolarHBondContact OH-OD1 2.75Å; Y188-D314 PolarHBondContact OH-OD2 2.66Å; T190-D314 WeakPolarHBondContact CG2-OD2 3.36Å; N214-D314 WeakPolarHBondContact CB-O 3.34Å; N214-D314 PolarHBondContact N-O 2.79Å; T219-D314 PolarHBondContact N-OD1 2.78Å; T219-D314 PolarHBondContact OG1-N 2.84Å; T219-D314 PolarHBondContact OG1-OD1 3.13Å; F221-D314 WeakPolarHBondContact O-CB 3.5Å; F221-D314 PolarHBondContact O-N 3.45Å
315	N	97.6	Very high	94.2	Very high	16 Å²	16	17.6 Å²	17.6	9%	0.086	9%	0.089	C	C	.	.	S	Bend	trans	-133.5	-4.4	-173.5	-47.8	107.7	0	0	0	115.5	W211 F212 S222 G223 Y230 G231 T313	W211-N315 HydrophobicContact CB-CB 4.11Å; W211-N315 HydrophobicContact CE3-CB 4.41Å; W211-N315 VanDerWaalsContact CE3-OD1 3.31Å; F212-N315 WeakPolarHBondContact O-CA 3.06Å; F212-N315 VanDerWaalsContact O-CB 3.26Å; F212-N315 WeakPolarHBondContact O-CB 3.19Å; F212-N315 PolarHBondContact O-ND2 3.2Å; S222-N315 WeakPolarHBondContact CA-OD1 3.5Å; S222-N315 WeakPolarHBondContact CB-OD1 3.13Å; G223-N315 PolarHBondContact N-OD1 2.98Å; Y230-N315 HydrophobicContact CD1-CB 3.98Å; Y230-N315 HydrophobicContact CE1-CB 4.32Å; G231-N315 PolarHBondContact N-O 3.38Å; T313-N315 PolarHBondContact O-N 3.09Å; T313-N315 PolarHBondContact OG1-N 3.45Å; T313-N315 VanDerWaalsContact OG1-N 3.08Å
316	A	97.3	Very high	94.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	134.6	176.2	0	0	0	0	0	109.2	K224 L227 Q229 G231 T313	K224-A316 HydrophobicContact CG-CB 4.28Å; L227-A316 HydrophobicContact CB-CB 4.1Å; L227-A316 VanDerWaalsContact CD1-C 3.41Å; L227-A316 HydrophobicContact CD1-CB 3.71Å; L227-A316 WeakPolarHBondContact CD1-O 3.47Å; L227-A316 HydrophobicContact CG-CB 4.48Å; Q229-A316 WeakPolarHBondContact O-CB 3.28Å; G231-A316 WeakPolarHBondContact O-CA 3.01Å; T313-A316 PolarHBondContact N-O 3.38Å; T313-A316 PolarHBondContact OG1-N 3.36Å; T313-A316 PolarHBondContact OG1-O 2.9Å
317	W	97.2	Very high	93.8	Very high	22 Å²	22	19 Å²	19	8%	0.083	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	166	-179	59.3	92.8	0	0	0	111.7	F212 K213 N214 Y216 G231 A232 N233 Y306 N312 D319	F212-W317 HydrophobicContact CB-CH2 4.33Å; F212-W317 HydrophobicContact CB-CZ3 4.29Å; K213-W317 VanDerWaalsContact O-CH2 3.31Å; K213-W317 WeakPolarHBondContact O-CH2 3.3Å; K213-W317 WeakPolarHBondContact O-CZ3 3.48Å; N214-W317 VanDerWaalsContact CA-CZ3 3.44Å; N214-W317 HydrophobicContact CB-CD2 4.43Å; N214-W317 HydrophobicContact CB-CE3 3.67Å; N214-W317 HydrophobicContact CB-CZ3 3.95Å; Y216-W317 AromaticContact CE2-NE1 3.77Å; G231-W317 PolarHBondContact O-N 3.23Å; A232-W317 CarbonylContact C-O 3.58Å; A232-W317 HydrophobicContact CB-CZ2 4.36Å; N233-W317 WeakPolarHBondContact CB-O 3.38Å; N233-W317 PolarHBondContact N-O 2.01Å; N233-W317 PolarHBondContact ND2-O 2.94Å; Y306-W317 HydrophobicContact CD2-CB 4.3Å; Y306-W317 AromaticContact CD2-CD1 3.59Å; Y306-W317 HydrophobicContact CD2-CG 4.09Å; Y306-W317 HydrophobicContact CE2-CB 3.52Å; Y306-W317 AromaticContact CE2-CD1 3.67Å; Y306-W317 AromaticContact CE2-CG 3.68Å; Y306-W317 HydrophobicContact CE2-CG 3.68Å; N312-W317 HydrophobicContact CB-CB 4.37Å; N312-W317 WeakPolarHBondContact OD1-CA 3.31Å; W317-D319 PolarHBondContact NE1-OD1 2.84Å; W317-D319 PolarHBondContact NE1-OD2 3.16Å; W317-D319 VanDerWaalsContact NE1-OD2 3.09Å
318	V	95.4	Very high	93.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.9	174.2	-174.2	0	0	0	0	109.5	L227 N233 A235 Y237 W265 L307 N309 N312	L227-V318 HydrophobicContact CD2-CG2 3.94Å; N233-V318 WeakPolarHBondContact O-CA 3.5Å; A235-V318 HydrophobicContact CB-CG1 3.7Å; Y237-V318 HydrophobicContact CE2-CG1 4.36Å; W265-V318 HydrophobicContact CH2-CG2 3.87Å; W265-V318 HydrophobicContact CZ3-CG1 4.33Å; W265-V318 HydrophobicContact CZ3-CG2 4.07Å; L307-V318 HydrophobicContact CB-CB 4.25Å; L307-V318 HydrophobicContact CB-CG1 4.06Å; L307-V318 HydrophobicContact CD1-CG1 4.1Å; L307-V318 PolarHBondContact N-O 3.42Å; N309-V318 HydrophobicContact CB-CB 4.44Å; N309-V318 HydrophobicContact CB-CG2 4.03Å; N312-V318 PolarHBondContact OD1-N 3.06Å
319	D	94.1	Very high	92.9	Very high	24 Å²	24	24.1 Å²	24.1	13%	0.128	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	157.1	165.5	-79.7	-15	0	0	0	108.5	A232 N233 L234 A235 G305 Y306 W317	A232-D319 HydrophobicContact CB-CB 4.16Å; A232-D319 WeakPolarHBondContact CB-OD2 3.42Å; N233-D319 PolarHBondContact O-N 2.89Å; N233-D319 VanDerWaalsContact O-O 3.09Å; L234-D319 CarbonylContact C-O 3.41Å; L234-D319 WeakPolarHBondContact CA-O 3.46Å; L234-D319 HydrophobicContact CD2-CB 4.07Å; A235-D319 PolarHBondContact N-O 3.32Å; G305-D319 CarbonylContact O-C 3.57Å; G305-D319 WeakPolarHBondContact O-CA 3.19Å; Y306-D319 VanDerWaalsContact CA-OD1 3.31Å; Y306-D319 WeakPolarHBondContact CA-OD1 3.42Å; W317-D319 PolarHBondContact NE1-OD1 2.84Å; W317-D319 PolarHBondContact NE1-OD2 3.16Å; W317-D319 VanDerWaalsContact NE1-OD2 3.09Å
320	G	93	Very high	92.5	Very high	6 Å²	6	23.9 Å²	23.9	6%	0.062	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-142.5	168.8	0	0	0	0	0	112.4	A235 T304 G305	A235-G320 VanDerWaalsContact O-CA 3.25Å; A235-G320 WeakPolarHBondContact O-CA 3.49Å; T304-G320 CarbonylContact C-O 3.55Å; T304-G320 VanDerWaalsContact CA-O 3.23Å; T304-G320 WeakPolarHBondContact CA-O 3.12Å; G305-G320 PolarHBondContact N-O 3.23Å; G305-G320 PolarHBondContact O-N 3.12Å
321	A	93	Very high	92.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.8	-169	0	0	0	0	0	113.8	A235 A236 Y237 I271 Q301 Y303 V323	A235-A321 PolarHBondContact O-N 2.76Å; A235-A321 VanDerWaalsContact O-N 3.08Å; A236-A321 WeakPolarHBondContact CA-O 3.32Å; Y237-A321 PolarHBondContact N-O 3.26Å; I271-A321 HydrophobicContact CD1-CB 3.6Å; Q301-A321 HydrophobicContact CG-CB 4.19Å; Y303-A321 WeakPolarHBondContact O-CA 3.39Å; Y303-A321 WeakPolarHBondContact O-CB 3.25Å; A321-V323 HydrophobicContact CB-CG2 4.17Å
322	V	94.1	Very high	91.8	Very high	10 Å²	10	24.4 Å²	24.4	6%	0.061	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.3	162.9	-176.4	0	0	0	0	107.1	Y237 L239 Y302 Y303 L307 L369	Y237-V322 WeakPolarHBondContact O-CA 3.46Å; L239-V322 HydrophobicContact CB-CG1 4.45Å; Y302-V322 PolarHBondContact N-O 3.41Å; Y303-V322 PolarHBondContact N-O 2.97Å; Y303-V322 PolarHBondContact O-N 3.02Å; Y303-V322 VanDerWaalsContact O-N 3.08Å; L307-V322 HydrophobicContact CD2-CG2 4.16Å; V322-L369 HydrophobicContact CG2-CD2 4.37Å
323	V	94.1	Very high	91.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122	-179	-176.1	0	0	0	0	108.7	Y237 L238 L239 I271 I276 A321 V325	Y237-V323 PolarHBondContact O-N 2.87Å; L238-V323 WeakPolarHBondContact CA-O 3.28Å; L238-V323 HydrophobicContact CD2-CB 4.06Å; L239-V323 PolarHBondContact N-O 2.93Å; I271-V323 HydrophobicContact CG2-CG2 4.03Å; I276-V323 HydrophobicContact CD1-CG1 3.74Å; I276-V323 HydrophobicContact CD1-CG2 4.34Å; I276-V323 HydrophobicContact CG1-CG1 4.27Å; A321-V323 HydrophobicContact CB-CG2 4.17Å; V323-V325 HydrophobicContact CG1-CG2 4.26Å
324	H	94.7	Very high	89.7	Confident	32 Å²	32	25.3 Å²	25.3	15%	0.148	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130	173.4	171.9	-132.7	0	0	0	111	L239 T241 G299 Q300 Y302	L239-H324 HydrophobicContact CB-CB 4.39Å; L239-H324 HydrophobicContact CD2-CB 4.28Å; L239-H324 VanDerWaalsContact O-CA 3.31Å; L239-H324 WeakPolarHBondContact O-CA 3.28Å; L239-H324 PolarHBondContact O-CD2 3.27Å; L239-H324 VanDerWaalsContact O-CD2 3.29Å; T241-H324 WeakPolarHBondContact CG2-NE2 3.46Å; T241-H324 PolarHBondContact OG1-NE2 2.64Å; G299-H324 CarbonylContact C-O 3.45Å; G299-H324 VanDerWaalsContact CA-O 3.31Å; G299-H324 WeakPolarHBondContact CA-O 3.47Å; Q300-H324 PolarHBondContact N-O 2.97Å; Q300-H324 PolarHBondContact O-N 3.44Å; Y302-H324 HydrophobicContact CD2-CB 3.35Å; Y302-H324 HydrophobicContact CE2-CB 3.08Å; Y302-H324 AromaticContact CE2-CG 3.38Å; Y302-H324 AromaticContact CE2-ND1 3.49Å; Y302-H324 WeakPolarHBondContact CE2-ND1 3.38Å; Y302-H324 HydrophobicContact CG-CB 4.39Å; Y302-H324 AromaticContact CZ-CG 3.98Å; Y302-H324 AromaticContact CZ-ND1 3.58Å; Y302-H324 PolarHBondContact OH-ND1 3.21Å; Y302-H324 VanDerWaalsContact OH-ND1 3.13Å
325	V	93	Very high	87.7	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.6	174.9	179.4	0	0	0	0	107.7	L239 I240 T241 I276 L280 M295 V323	L239-V325 PolarHBondContact O-N 3.09Å; I240-V325 WeakPolarHBondContact CA-O 3.46Å; I240-V325 HydrophobicContact CG1-CB 4.3Å; T241-V325 PolarHBondContact N-O 2.81Å; T241-V325 PolarHBondContact OG1-O 2.79Å; I276-V325 HydrophobicContact CG2-CG2 4.09Å; L280-V325 HydrophobicContact CD1-CG1 3.84Å; L280-V325 HydrophobicContact CD1-CG2 4.24Å; L280-V325 HydrophobicContact CD2-CB 4.35Å; L280-V325 HydrophobicContact CD2-CG1 4.09Å; L280-V325 HydrophobicContact CD2-CG2 4.31Å; M295-V325 HydrophobicContact CB-CG1 3.76Å; M295-V325 HydrophobicContact CG-CG1 4.42Å; V323-V325 HydrophobicContact CG1-CG2 4.26Å
326	H	91.6	Very high	85.3	Confident	80 Å²	80	33.7 Å²	33.7	37%	0.37	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.7	177.3	-171.8	60.3	0	0	0	109.9	T241 M295 P328	T241-H326 PolarHBondContact O-ND1 3.34Å; T241-H326 PolarHBondContact OG1-ND1 3.33Å; M295-H326 WeakPolarHBondContact CG-O 3.41Å; H326-P328 WeakPolarHBondContact O-CD 3.32Å
327	D	89.1	Confident	82.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	101.5	166	177.6	1.6	0	0	0	108.6	T241 I242 M295 T329 G330 E331 C332 F333	T241-D327 PolarHBondContact O-N 3.46Å; I242-D327 HydrophobicContact CG1-CB 4.38Å; M295-D327 HydrophobicContact SD-CB 4.19Å; D327-T329 VanDerWaalsContact C-N 3.29Å; D327-T329 WeakPolarHBondContact OD1-CB 3.45Å; D327-T329 PolarHBondContact OD1-N 2.91Å; D327-T329 PolarHBondContact OD1-OG1 3.27Å; D327-G330 PolarHBondContact OD1-N 3.36Å; D327-E331 PolarHBondContact OD2-N 2.97Å; D327-C332 PolarHBondContact OD1-SG 2.95Å; D327-C332 VanDerWaalsContact OD1-SG 3.4Å; D327-C332 WeakPolarHBondContact OD2-CB 3.5Å; D327-C332 PolarHBondContact OD2-N 3.35Å; D327-F333 HydrophobicContact CB-CD2 3.91Å; D327-F333 HydrophobicContact CB-CE2 4Å
328	P	82.1	Confident	79.6	Confident	91 Å²	91	43.6 Å²	43.6	59%	0.591	25%	0.248	S	C	*	.	S	Bend	trans	-75	-20.2	-179.7	32.2	-36.3	0	0	0	112.7	H326	H326-P328 WeakPolarHBondContact O-CD 3.32Å
329	T	80.8	Confident	76.6	Confident	56 Å²	56	51.2 Å²	51.2	34%	0.344	28%	0.283	S	S	.	.	S	Bend	trans	-79.8	-32.1	-178.5	70.9	0	0	0	0	111.1	D327 E331 C332	D327-T329 VanDerWaalsContact C-N 3.29Å; D327-T329 WeakPolarHBondContact OD1-CB 3.45Å; D327-T329 PolarHBondContact OD1-N 2.91Å; D327-T329 PolarHBondContact OD1-OG1 3.27Å; T329-E331 PolarHBondContact O-N 3.34Å; T329-E331 PolarHBondContact OG1-N 2.75Å; T329-E331 VanDerWaalsContact OG1-N 3.08Å; T329-C332 PolarHBondContact OG1-SG 3.5Å
330	G	81.5	Confident	73.6	Confident	11 Å²	11	54.4 Å²	54.4	11%	0.113	31%	0.307	C	S	.	.	S	Bend	trans	79.2	2	-172.7	0	0	0	0	0	113.8	H243 D327	H243-G330 WeakPolarHBondContact O-CA 3.15Å; D327-G330 PolarHBondContact OD1-N 3.36Å
331	E	81.4	Confident	70.6	Confident	138 Å²	138	61.3 Å²	61.3	65%	0.645	34%	0.343	S	S	*	.			trans	-117.1	-14.8	-167.6	-63.2	-175.2	169.7	0	0	113.3	Y286 D327 T329 F333	Y286-E331 VanDerWaalsContact CD2-O 3.26Å; Y286-E331 WeakPolarHBondContact CD2-O 3.45Å; D327-E331 PolarHBondContact OD2-N 2.97Å; T329-E331 PolarHBondContact O-N 3.34Å; T329-E331 PolarHBondContact OG1-N 2.75Å; T329-E331 VanDerWaalsContact OG1-N 3.08Å; E331-F333 PolarHBondContact O-N 3.19Å
332	C	86.6	Confident	67.9	Low	0 Å²	0	71 Å²	71	0%	0	38%	0.379	C	S	.	.	S	Bend	trans	-72.2	-33.1	-169	-57	0	0	0	0	113.8	N284 L285 C287 M295 D327 T329	N284-C332 PolarHBondContact OD1-O 3.37Å; L285-C332 PolarHBondContact N-O 3.18Å; C287-C332 HydrophobicContact CB-CB 3.71Å; C287-C332 WeakPolarHBondContact CB-SG 3.08Å; C287-C332 WeakPolarHBondContact SG-CA 3.39Å; C287-C332 WeakPolarHBondContact SG-CB 3.21Å; C287-C332 CovalentContact SG-SG 2.01Å; C287-C332 PolarHBondContact SG-SG 3.29Å; M295-C332 HydrophobicContact CE-CB 4.06Å; M295-C332 WeakPolarHBondContact CE-SG 3.43Å; D327-C332 PolarHBondContact OD1-SG 2.95Å; D327-C332 VanDerWaalsContact OD1-SG 3.4Å; D327-C332 WeakPolarHBondContact OD2-CB 3.5Å; D327-C332 PolarHBondContact OD2-N 3.35Å; T329-C332 PolarHBondContact OG1-SG 3.5Å
333	F	83.6	Confident	64.9	Low	4 Å²	4	79.1 Å²	79.1	2%	0.018	41%	0.414	C	S	.	.	S	Bend	trans	-121.7	5.3	-170.7	-52	-72.1	0	0	0	114.2	I240 I242 L251 L280 L283 N284 I292 M295 D327 E331	I240-F333 HydrophobicContact CG2-CD2 3.53Å; I240-F333 HydrophobicContact CG2-CE2 3.73Å; I240-F333 HydrophobicContact CG2-CG 4.18Å; I242-F333 HydrophobicContact CD1-CB 4.07Å; L251-F333 HydrophobicContact CD1-CB 4.21Å; L251-F333 HydrophobicContact CD2-CB 4.2Å; L251-F333 HydrophobicContact CD2-CG 4.42Å; L280-F333 HydrophobicContact CB-CZ 4.36Å; L280-F333 HydrophobicContact CD2-CE1 4.3Å; L280-F333 HydrophobicContact CD2-CZ 3.83Å; L283-F333 HydrophobicContact CB-CD1 3.9Å; L283-F333 HydrophobicContact CB-CE1 4.01Å; N284-F333 HydrophobicContact CB-CE1 4.31Å; I292-F333 HydrophobicContact CD1-CE1 4.2Å; I292-F333 HydrophobicContact CD1-CZ 3.83Å; M295-F333 HydrophobicContact SD-CE2 3.84Å; M295-F333 HydrophobicContact SD-CZ 4.23Å; D327-F333 HydrophobicContact CB-CD2 3.91Å; D327-F333 HydrophobicContact CB-CE2 4Å; E331-F333 PolarHBondContact O-N 3.19Å
334	G	66.1	Low	62.1	Low	17 Å²	17	83 Å²	83	18%	0.175	44%	0.44	C	S	.	.			trans	-116.3	161.7	178.7	0	0	0	0	0	112.2	Y286	Y286-G334 WeakPolarHBondContact CD2-O 3.29Å; Y286-G334 WeakPolarHBondContact CE2-O 3.36Å
335	P	55.1	Low	59.1	Low	102 Å²	102	84.7 Å²	84.7	66%	0.662	46%	0.46	S	S	*	.			cis	-107	124	25.2	34.6	-26.2	0	0	0	112.5
336	Y	46.4	Very low	56.1	Low	112 Å²	112	91.9 Å²	91.9	44%	0.439	50%	0.498	S	S	.	.			trans	-58.8	137.6	162.4	-95	-116.1	0	0	0	108.7	L251 V252 V338	L251-Y336 HydrophobicContact CD1-CD2 4.15Å; L251-Y336 HydrophobicContact CD1-CE2 3.23Å; L251-Y336 HydrophobicContact CG-CE2 4.49Å; V252-Y336 WeakPolarHBondContact O-CE1 3.36Å; V252-Y336 VanDerWaalsContact O-CZ 3.27Å; V252-Y336 PolarHBondContact O-OH 3.45Å; Y336-V338 PolarHBondContact O-N 2.74Å
337	P	41.9	Very low	53.3	Low	97 Å²	97	93.8 Å²	93.8	63%	0.63	51%	0.506	S	S	*	.			trans	-55.9	116.7	165.6	23.6	-30	0	0	0	107.2	H339	P337-H339 PolarHBondContact O-N 2.75Å
338	V	33.7	Very low	50.3	Low	132 Å²	132	99.9 Å²	99.9	80%	0.8	55%	0.547	S	S	*	.			trans	-71.3	79.5	177.9	-165	0	0	0	0	107	Y336	Y336-V338 PolarHBondContact O-N 2.74Å
339	H	32.2	Very low	47.6	Very low	160 Å²	160	98.9 Å²	98.9	74%	0.741	55%	0.554	S	S	*	*			trans	-101.4	112.7	163.9	-71.3	-52	0	0	0	107.9	P337	P337-H339 PolarHBondContact O-N 2.75Å
340	S	31.4	Very low	45	Very low	91 Å²	91	105.8 Å²	105.8	64%	0.636	58%	0.579	S	S	*	*	S	Bend	trans	79.8	114.5	167.9	75.7	0	0	0	0	118.3	R342	S340-R342 VanDerWaalsContact C-N 3.26Å; S340-R342 PolarHBondContact O-N 3.12Å
341	D	29.8	Very low	42.5	Very low	151 Å²	151	108.7 Å²	108.7	81%	0.807	59%	0.591	S	S	*	*			trans	-29.3	63.8	155.4	-53.7	-45.3	0	0	0	117.2
342	R	36	Very low	39.9	Very low	204 Å²	204	109.5 Å²	109.5	77%	0.77	60%	0.595	S	S	*	*			trans	-103.6	89.9	160.6	-68.4	-166.9	-163.5	-161.2	8.2	109.8	S340 C344	S340-R342 VanDerWaalsContact C-N 3.26Å; S340-R342 PolarHBondContact O-N 3.12Å; R342-C344 PolarHBondContact O-N 3.06Å
343	F	31.9	Very low	37.2	Very low	180 Å²	180	111.7 Å²	111.7	79%	0.789	61%	0.608	S	S	*	*			trans	-72	110.5	169.8	-86.8	-93.5	0	0	0	110.3	A345	F343-A345 VanDerWaalsContact C-N 3.33Å; F343-A345 PolarHBondContact O-N 3.48Å
344	C	35.8	Very low	34.5	Very low	83 Å²	83	116.7 Å²	116.7	56%	0.561	63%	0.634	S	S	*	*			trans	-81.2	85.6	154.7	-69.9	0	0	0	0	107.8	R342	R342-C344 PolarHBondContact O-N 3.06Å
345	A	30.6	Very low	32.7	Very low	68 Å²	68	117.9 Å²	117.9	56%	0.562	64%	0.643	S	S	*	*			trans	-75.2	127.8	172.6	0	0	0	0	0	110	F343	F343-A345 VanDerWaalsContact C-N 3.33Å; F343-A345 PolarHBondContact O-N 3.48Å
346	N	30.5	Very low	31.4	Very low	152 Å²	152	119.2 Å²	119.2	81%	0.813	64%	0.643	S	S	*	*			trans	72.6	79.5	168.6	-56.1	-26	0	0	0	117.7
347	F	31.8	Very low	30.6	Very low	120 Å²	120	121 Å²	121	53%	0.526	65%	0.65	S	S	.	*			trans	-100.9	88.2	148.4	-103.2	-85	0	0	0	108.6	L351 W357	F347-L351 HydrophobicContact CD1-CD1 3.46Å; F347-L351 VanDerWaalsContact CD1-CD1 3.46Å; F347-L351 HydrophobicContact CE1-CD1 3.3Å; F347-L351 HydrophobicContact CE1-CG 3.99Å; F347-L351 HydrophobicContact CZ-CD1 4.29Å; F347-W357 HydrophobicContact CE2-CZ2 4.28Å
348	C	26.5	Very low	29.9	Very low	129 Å²	129	126 Å²	126	87%	0.872	66%	0.661	S	S	*	*			trans	-127.7	108.8	172.7	-156	0	0	0	0	108.3
349	G	27.1	Very low	29.6	Very low	70 Å²	70	124.3 Å²	124.3	72%	0.722	65%	0.654	S	S	*	*	S	Bend	trans	95.6	121	174.9	0	0	0	0	0	114.8
350	K	24.6	Very low	29.5	Very low	201 Å²	201	124.6 Å²	124.6	87%	0.874	66%	0.661	S	S	*	*			trans	44.3	99.3	172.1	-74.6	-178.2	175.1	-178.1	0	115.9	Q352	K350-Q352 VanDerWaalsContact C-N 3.35Å; K350-Q352 PolarHBondContact O-N 3.15Å
351	L	30.1	Very low	29.8	Very low	72 Å²	72	124.7 Å²	124.7	38%	0.377	66%	0.66	S	S	.	*			trans	-64.7	91.4	166.1	-138	92.7	0	0	0	109.4	L239 Y302 F347 V353	L239-L351 HydrophobicContact CD2-CD2 3.97Å; Y302-L351 HydrophobicContact CE2-CD2 3.81Å; F347-L351 HydrophobicContact CD1-CD1 3.46Å; F347-L351 VanDerWaalsContact CD1-CD1 3.46Å; F347-L351 HydrophobicContact CE1-CD1 3.3Å; F347-L351 HydrophobicContact CE1-CG 3.99Å; F347-L351 HydrophobicContact CZ-CD1 4.29Å; L351-V353 HydrophobicContact CD2-CG2 3.98Å
352	Q	25.7	Very low	29.9	Very low	155 Å²	155	123 Å²	123	72%	0.724	66%	0.657	S	S	*	*			trans	-78.7	108.9	155.4	-84.5	-179.9	-40.3	0	0	106.4	K350 I354	K350-Q352 VanDerWaalsContact C-N 3.35Å; K350-Q352 PolarHBondContact O-N 3.15Å; Q352-I354 PolarHBondContact O-N 2.88Å
353	V	29.6	Very low	29.5	Very low	46 Å²	46	119.8 Å²	119.8	28%	0.279	66%	0.655	S	S	.	*			trans	-72.2	80	171.3	-178.1	0	0	0	0	107.7	L351	L351-V353 HydrophobicContact CD2-CG2 3.98Å
354	I	27.6	Very low	29.2	Very low	108 Å²	108	119.9 Å²	119.9	55%	0.554	66%	0.655	S	S	*	*			trans	-105.9	98.8	157.4	-60.7	175.4	0	0	0	104.8	Q352 L356	Q352-I354 PolarHBondContact O-N 2.88Å; I354-L356 HydrophobicContact CG2-CB 4.09Å; I354-L356 HydrophobicContact CG2-CD1 4.24Å; I354-L356 HydrophobicContact CG2-CG 4.39Å; I354-L356 PolarHBondContact O-N 3.2Å
355	A	29.3	Very low	28.7	Very low	43 Å²	43	121.8 Å²	121.8	36%	0.355	65%	0.654	S	S	.	*			trans	-72.9	75.1	169.7	0	0	0	0	0	109.3
356	L	26.8	Very low	28.7	Very low	130 Å²	130	125.6 Å²	125.6	68%	0.681	67%	0.665	S	S	*	*			trans	-133	75	161.2	-83.5	168.6	0	0	0	107.9	I354 K358	I354-L356 HydrophobicContact CG2-CB 4.09Å; I354-L356 HydrophobicContact CG2-CD1 4.24Å; I354-L356 HydrophobicContact CG2-CG 4.39Å; I354-L356 PolarHBondContact O-N 3.2Å; L356-K358 PolarHBondContact O-N 2.66Å
357	W	30.2	Very low	29	Very low	150 Å²	150	124 Å²	124	57%	0.568	66%	0.655	S	S	*	*			trans	-87.8	89.1	161.5	-90.8	65.7	0	0	0	108.9	F347 C359	F347-W357 HydrophobicContact CE2-CZ2 4.28Å; W357-C359 PolarHBondContact O-N 2.97Å
358	K	26.7	Very low	29.1	Very low	200 Å²	200	119.9 Å²	119.9	87%	0.87	65%	0.647	S	S	*	*			trans	-75.6	92.5	159.8	-86.3	-179.6	170.1	174.5	0	108.4	L356	L356-K358 PolarHBondContact O-N 2.66Å
359	C	27.7	Very low	29.5	Very low	98 Å²	98	115 Å²	115	66%	0.662	61%	0.612	S	S	*	*			trans	-82.3	118.6	155.4	-73.9	0	0	0	0	108	W357	W357-C359 PolarHBondContact O-N 2.97Å
360	N	30.2	Very low	29.9	Very low	166 Å²	166	114.2 Å²	114.2	89%	0.888	59%	0.593	S	S	*	*			trans	-62.6	145.7	-175.9	-132.7	-3.6	0	0	0	111.9
361	P	38.3	Very low	30.1	Very low	93 Å²	93	105.4 Å²	105.4	60%	0.604	56%	0.556	S	S	*	*			trans	-113.8	-176.7	-142.7	50.4	-42.6	0	0	0	112.8
362	P	31.4	Very low	30	Very low	116 Å²	116	107.9 Å²	107.9	75%	0.753	57%	0.567	S	S	*	*	S	Bend		-134.1	84.8	53.9	37.3	-16.9	0	0	0	113.5
363	L	26.8	Very low	30.2	Very low	136 Å²	136	105.5 Å²	105.5	71%	0.712	56%	0.559	S	S	*	*	S	Bend	trans	-142.6	109.5	152.1	-80.4	172.5	0	0	0	107.1	F365	L363-F365 HydrophobicContact CB-CD2 4.01Å; L363-F365 HydrophobicContact CB-CE2 3.63Å; L363-F365 HydrophobicContact CD1-CE2 4.17Å; L363-F365 HydrophobicContact CG-CE2 4.48Å; L363-F365 WeakPolarHBondContact O-CD2 3.4Å; L363-F365 PolarHBondContact O-N 3.39Å; L363-F365 VanDerWaalsContact O-N 3.12Å
364	F	25.6	Very low	30.1	Very low	181 Å²	181	109.9 Å²	109.9	79%	0.794	58%	0.58	S	S	*	*			trans	-66.1	106.9	175.7	-82.7	-96.4	0	0	0	108.5
365	F	26.5	Very low	30	Very low	123 Å²	123	112.5 Å²	112.5	54%	0.539	60%	0.596	S	S	.	*			trans	-107.9	119.3	166.5	-75.4	-82.7	0	0	0	108.3	L363 I367	L363-F365 HydrophobicContact CB-CD2 4.01Å; L363-F365 HydrophobicContact CB-CE2 3.63Å; L363-F365 HydrophobicContact CD1-CE2 4.17Å; L363-F365 HydrophobicContact CG-CE2 4.48Å; L363-F365 WeakPolarHBondContact O-CD2 3.4Å; L363-F365 PolarHBondContact O-N 3.39Å; L363-F365 VanDerWaalsContact O-N 3.12Å; F365-I367 PolarHBondContact O-N 2.58Å
366	D	30.3	Very low	30.1	Very low	149 Å²	149	116.2 Å²	116.2	80%	0.797	61%	0.614	S	S	*	*			trans	-72.5	102.1	174.5	-91.1	-38.4	0	0	0	109.7	G368	D366-G368 PolarHBondContact O-N 3.14Å
367	I	35.8	Very low	30.2	Very low	117 Å²	117	116.8 Å²	116.8	60%	0.6	62%	0.617	S	S	*	*			trans	-85	105	172.5	-59	174	0	0	0	108	F365 L369	F365-I367 PolarHBondContact O-N 2.58Å; I367-L369 PolarHBondContact O-N 3.02Å; I367-L369 VanDerWaalsContact O-N 3.09Å
368	G	33.8	Very low	29.9	Very low	35 Å²	35	114.9 Å²	114.9	36%	0.361	63%	0.627	S	S	.	*			trans	-81.9	70.6	180	0	0	0	0	0	113.5	D366	D366-G368 PolarHBondContact O-N 3.14Å
369	L	36	Very low	29.9	Very low	26 Å²	26	118.3 Å²	118.3	14%	0.136	65%	0.646	C	S	.	*			trans	-169.3	114.5	145.7	-155.2	79.4	0	0	0	108.7	L307 K308 V322 I367 V371	L307-L369 HydrophobicContact CB-CD1 4.19Å; L307-L369 HydrophobicContact CD2-CD1 4.49Å; K308-L369 WeakPolarHBondContact O-CD1 3.28Å; V322-L369 HydrophobicContact CG2-CD2 4.37Å; I367-L369 PolarHBondContact O-N 3.02Å; I367-L369 VanDerWaalsContact O-N 3.09Å; L369-V371 HydrophobicContact CD2-CG2 4.01Å; L369-V371 HydrophobicContact CG-CG2 4.42Å
370	T	33.9	Very low	30	Very low	53 Å²	53	119.4 Å²	119.4	33%	0.325	65%	0.645	S	S	.	*	B	Isolated β-bridge	trans	-109.6	113	165.6	-50.2	0	0	0	0	107.4	K308 M372	K308-T370 VanDerWaalsContact CB-O 3.24Å; K308-T370 WeakPolarHBondContact CB-O 3.39Å; T370-M372 HydrophobicContact CG2-CG 4.36Å
371	V	30.7	Very low	30	Very low	17 Å²	17	116.9 Å²	116.9	10%	0.103	63%	0.632	C	S	.	*			trans	-88.9	109.5	167.3	-176.3	0	0	0	0	106.3	Y303 L369 I373	Y303-V371 HydrophobicContact CD2-CG1 3.95Å; Y303-V371 HydrophobicContact CE2-CG1 4.18Å; Y303-V371 HydrophobicContact CG-CG1 4.36Å; L369-V371 HydrophobicContact CD2-CG2 4.01Å; L369-V371 HydrophobicContact CG-CG2 4.42Å; V371-I373 HydrophobicContact CG1-CG1 3.95Å
372	M	27.6	Very low	29.5	Very low	123 Å²	123	118.2 Å²	118.2	61%	0.606	63%	0.634	S	S	*	*			trans	-83.9	116.1	166.3	-68.3	-83.3	-75.7	0	0	106.4	T370	T370-M372 HydrophobicContact CG2-CG 4.36Å
373	I	28.6	Very low	29.4	Very low	106 Å²	106	118.4 Å²	118.4	54%	0.544	63%	0.627	S	S	.	*			trans	-100.5	113.5	167.6	-57.8	178.3	0	0	0	104.8	V371 D375	V371-I373 HydrophobicContact CG1-CG1 3.95Å; I373-D375 PolarHBondContact O-N 2.74Å
374	D	28.5	Very low	29.6	Very low	138 Å²	138	117.3 Å²	117.3	74%	0.738	62%	0.622	S	S	*	*			trans	-67.8	119.6	167.1	-74.2	-34.1	0	0	0	107.9	V376	D374-V376 PolarHBondContact O-N 2.96Å; D374-V376 VanDerWaalsContact O-N 3.15Å
375	D	26.4	Very low	29.8	Very low	163 Å²	163	113 Å²	113	87%	0.872	61%	0.61	S	S	*	*			trans	-60.5	110.3	167.4	-90.6	-36.6	0	0	0	108.2	I373	I373-D375 PolarHBondContact O-N 2.74Å
376	V	30.1	Very low	30.1	Very low	121 Å²	121	112.3 Å²	112.3	73%	0.733	62%	0.615	S	S	*	*			trans	-115.9	104.3	163.3	-178.7	0	0	0	0	108.6	D374	D374-V376 PolarHBondContact O-N 2.96Å; D374-V376 VanDerWaalsContact O-N 3.15Å
377	D	28.6	Very low	30	Very low	142 Å²	142	109.5 Å²	109.5	76%	0.759	60%	0.601	S	S	*	*			trans	64.2	111.6	155	-67.2	-32	0	0	0	121.3
378	S	23.9	Very low	29.6	Very low	110 Å²	110	108.8 Å²	108.8	77%	0.769	60%	0.601	S	S	*	*			trans	-41.4	121.2	143.3	52.1	0	0	0	0	114.1
379	Q	26.7	Very low	29.2	Very low	272 Å²	272	115.5 Å²	115.5	100%	1.271	62%	0.623	S	S	*	*			trans	-160.9	0	131.5	-109.6	177.1	38.2	0	0	111

Retrieved 379 of 379 residues in 370.7 ms (Link to these results)

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