A0A5K4EKJ6_SCHMA Loading...

DNA-directed RNA polymerases I, II, and III subunit RPABC1

AlphaFold DB , UniProt , Accession A0A5K4EKJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 237 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	35.8	Very low	36.5	Very low	247 Å²	247	156.4 Å²	156.4	100%	1.217	85%	0.85	S	S	*	*				0	120.3	0	-91.8	161.3	153.1	0	0	107.8
2	K	41.1	Very low	36.2	Very low	180 Å²	180	151.1 Å²	151.1	78%	0.783	84%	0.844	S	S	*	*			trans	-65.6	175.7	173.4	-80.6	-172.7	176.3	-179.1	0	110.9
3	P	45.5	Very low	36.1	Very low	110 Å²	110	151.5 Å²	151.5	71%	0.714	84%	0.843	S	S	*	*			cis	-147.4	167	15.1	22.3	5.7	0	0	0	119.5
4	F	31.8	Very low	36.2	Very low	169 Å²	169	157.4 Å²	157.4	74%	0.741	85%	0.846	S	S	*	*			trans	47.5	121.2	135.9	-77.6	-109.6	0	0	0	123.6
5	N	41	Very low	35.9	Very low	170 Å²	170	151.9 Å²	151.9	91%	0.909	84%	0.84	S	S	*	*				-164.8	126.8	119.5	-88.8	-18.5	0	0	0	105.3
6	G	36.8	Very low	36.1	Very low	64 Å²	64	150.7 Å²	150.7	66%	0.66	84%	0.844	S	S	*	*			cis	119.3	81.2	24.9	0	0	0	0	0	108.4
7	L	33.1	Very low	36	Very low	179 Å²	179	150.3 Å²	150.3	94%	0.937	85%	0.852	S	S	*	*			trans	68.8	70.2	160.8	-122.1	89.6	0	0	0	118.4
8	V	37.3	Very low	35.9	Very low	130 Å²	130	144.9 Å²	144.9	79%	0.788	84%	0.835	S	S	*	*			trans	-137.5	142.9	149	-157.3	0	0	0	0	105.7
9	D	31.1	Very low	35.9	Very low	150 Å²	150	145.7 Å²	145.7	80%	0.802	84%	0.836	S	S	*	*			trans	86.8	84.5	177.2	-52.4	-26.5	0	0	0	117.4
10	L	32	Very low	35.9	Very low	173 Å²	173	149.6 Å²	149.6	91%	0.906	84%	0.838	S	S	*	*			trans	-144.4	47.6	149.3	-137.3	141.8	0	0	0	111.7
11	V	36.4	Very low	36.1	Very low	148 Å²	148	148.2 Å²	148.2	90%	0.897	83%	0.829	S	S	*	*			trans	-148.9	74.1	161	-169.1	0	0	0	0	109.3
12	A	32.8	Very low	36.4	Very low	93 Å²	93	144.2 Å²	144.2	77%	0.769	81%	0.807	S	S	*	*			trans	-157.1	68.6	166.2	0	0	0	0	0	110.1
13	D	34.1	Very low	36.4	Very low	156 Å²	156	142 Å²	142	83%	0.834	80%	0.799	S	S	*	*			trans	-173.1	121.5	138.7	-123.2	-20.9	0	0	0	112
14	R	37.9	Very low	36.3	Very low	235 Å²	235	141.1 Å²	141.1	89%	0.887	79%	0.791	S	S	*	*			trans	145.3	105.1	141	-79.2	172.7	-171.2	-154.4	2.3	110.9
15	G	31.8	Very low	36.4	Very low	74 Å²	74	139.7 Å²	139.7	76%	0.763	79%	0.791	S	S	*	*			trans	-64.4	145.4	167.5	0	0	0	0	0	112.1
16	C	38.6	Very low	36.1	Very low	133 Å²	133	137.4 Å²	137.4	90%	0.899	78%	0.775	S	S	*	*			trans	-161.8	138.3	144.2	-96	0	0	0	0	107.5	G18	C16-G18 PolarHBondContact O-N 3.4Å
17	C	34.4	Very low	36.1	Very low	144 Å²	144	140.1 Å²	140.1	97%	0.973	77%	0.773	S	S	*	*			trans	-53.6	122.9	176.5	-51.6	0	0	0	0	110.4
18	G	34.9	Very low	36	Very low	54 Å²	54	140 Å²	140	56%	0.557	77%	0.766	S	S	*	*			trans	-159.9	123.4	172.2	0	0	0	0	0	108	C16 Y20	C16-G18 PolarHBondContact O-N 3.4Å; G18-Y20 PolarHBondContact O-N 2.89Å; G18-Y20 VanDerWaalsContact O-N 3.15Å
19	N	34.8	Very low	36.1	Very low	160 Å²	160	138.2 Å²	138.2	86%	0.856	76%	0.755	S	S	*	*			trans	-51.3	119.7	172.6	-73.7	-32.8	0	0	0	108.6	D21	N19-D21 PolarHBondContact O-N 3.33Å
20	Y	36.6	Very low	36.5	Very low	223 Å²	223	136 Å²	136	88%	0.875	74%	0.742	S	S	*	*			trans	-67.2	105.2	169.1	-78.1	-91.2	0	0	0	107.2	G18 H22	G18-Y20 PolarHBondContact O-N 2.89Å; G18-Y20 VanDerWaalsContact O-N 3.15Å; Y20-H22 PolarHBondContact O-N 3.25Å
21	D	39.6	Very low	36.9	Very low	120 Å²	120	133.7 Å²	133.7	64%	0.642	73%	0.731	S	S	*	*			trans	-60.3	101.9	168.9	-82.3	-40.2	0	0	0	108.6	N19 H23 V24	N19-D21 PolarHBondContact O-N 3.33Å; D21-H23 PolarHBondContact O-N 3.08Å; D21-V24 HydrophobicContact CB-CG2 4.06Å; D21-V24 PolarHBondContact O-N 3.04Å
22	H	42.4	Very low	37.4	Very low	164 Å²	164	131.8 Å²	131.8	76%	0.759	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-12.4	170.3	-111	-83.2	0	0	0	112.9	Y20	Y20-H22 PolarHBondContact O-N 3.25Å
23	H	42.2	Very low	37.9	Very low	132 Å²	132	134.1 Å²	134.1	61%	0.611	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-21.2	178.2	-102.9	-21.7	0	0	0	115.2	D21 E26 L27	D21-H23 PolarHBondContact O-N 3.08Å; H23-E26 IonicContact CE1-OE2 2.75Å; H23-E26 IonicContact ND1-OE2 2.74Å; H23-E26 PolarHBondContact ND1-OE2 3.15Å; H23-E26 PolarHBondContact O-N 3.46Å; H23-L27 PolarHBondContact O-N 3.32Å
24	V	42.1	Very low	38.8	Very low	92 Å²	92	129 Å²	129	56%	0.558	69%	0.688	S	S	*	*	H	α-helix	trans	-80.8	-22.8	-176.8	-171.1	0	0	0	0	111.8	D21	D21-V24 HydrophobicContact CB-CG2 4.06Å; D21-V24 PolarHBondContact O-N 3.04Å
25	L	34.3	Very low	39.9	Very low	139 Å²	139	121.9 Å²	121.9	73%	0.728	67%	0.668	S	S	*	*	H	α-helix	trans	-85.4	-17.3	173.6	-70.8	170.3	0	0	0	113.2	V29	L25-V29 WeakPolarHBondContact O-CG2 3.41Å
26	E	35.6	Very low	42.4	Very low	122 Å²	122	122.3 Å²	122.3	57%	0.57	66%	0.659	S	S	*	*	H	α-helix	trans	-78.8	-28.9	170	-88.8	179.2	153.8	0	0	112.5	H23 I30	H23-E26 IonicContact CE1-OE2 2.75Å; H23-E26 IonicContact ND1-OE2 2.74Å; H23-E26 PolarHBondContact ND1-OE2 3.15Å; H23-E26 PolarHBondContact O-N 3.46Å; E26-I30 WeakPolarHBondContact O-CD1 3.25Å; E26-I30 WeakPolarHBondContact O-CG1 3.28Å
27	L	36.9	Very low	44.8	Very low	121 Å²	121	119.6 Å²	119.6	63%	0.634	63%	0.633	S	S	*	*	H	α-helix	trans	-77.3	-21.6	-178.9	-87.7	153.1	0	0	0	114.3	H23	H23-L27 PolarHBondContact O-N 3.32Å
28	F	30.4	Very low	47.5	Very low	178 Å²	178	112.7 Å²	112.7	78%	0.781	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-6.1	179.2	-106.7	-91.8	0	0	0	114.5
29	V	38.3	Very low	50.2	Low	91 Å²	91	114.2 Å²	114.2	55%	0.552	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-18	179.8	179.2	0	0	0	0	112.1	L25	L25-V29 WeakPolarHBondContact O-CG2 3.41Å
30	I	41.4	Very low	53	Low	105 Å²	105	109.1 Å²	109.1	54%	0.538	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-34.6	-175.5	-65.1	168.4	0	0	0	112.4	E26 T32 M33	E26-I30 WeakPolarHBondContact O-CD1 3.25Å; E26-I30 WeakPolarHBondContact O-CG1 3.28Å; I30-T32 VanDerWaalsContact C-N 3.29Å; I30-T32 PolarHBondContact O-N 3.37Å; I30-M33 PolarHBondContact O-N 2.86Å
31	D	39.1	Very low	55.8	Low	124 Å²	124	98.6 Å²	98.6	66%	0.663	51%	0.505	S	S	*	.	H	α-helix	trans	-72.4	-12	-173.6	-82.9	-7.8	0	0	0	115.4
32	T	47.1	Very low	58.4	Low	108 Å²	108	94.6 Å²	94.6	66%	0.663	48%	0.481	S	S	*	.	H	α-helix	trans	-95	-18.5	179.3	62.1	0	0	0	0	114	I30	I30-T32 VanDerWaalsContact C-N 3.29Å; I30-T32 PolarHBondContact O-N 3.37Å
33	M	43.2	Very low	60.9	Low	142 Å²	142	91.8 Å²	91.8	70%	0.7	46%	0.464	S	S	*	.	H	α-helix	trans	-84	-34	178.7	-66.3	-177.3	78.5	0	0	111.3	I30 S36 E37	I30-M33 PolarHBondContact O-N 2.86Å; M33-S36 WeakPolarHBondContact O-CB 3.27Å; M33-S36 PolarHBondContact O-N 3.33Å; M33-E37 PolarHBondContact O-N 2.85Å
34	D	52.6	Low	63.5	Low	47 Å²	47	85.5 Å²	85.5	25%	0.251	44%	0.435	S	S	.	.	H	α-helix	trans	-71.6	-41	-174.5	-125.5	16.5	0	0	0	112.8	S36 E37 T38 P78	D34-S36 PolarHBondContact O-N 3.42Å; D34-S36 VanDerWaalsContact O-N 3.16Å; D34-E37 PolarHBondContact O-N 3.22Å; D34-T38 WeakPolarHBondContact O-CB 3.46Å; D34-T38 PolarHBondContact O-N 3.32Å; D34-T38 PolarHBondContact O-OG1 3.34Å; D34-P78 WeakPolarHBondContact OD1-CB 3.33Å; D34-P78 VanDerWaalsContact OD2-CD 3.31Å; D34-P78 WeakPolarHBondContact OD2-CD 3.46Å
35	D	62.4	Low	66	Low	87 Å²	87	83.1 Å²	83.1	47%	0.465	42%	0.416	S	S	.	.	H	α-helix	trans	-59	-31.3	173.6	-93.9	-14.6	0	0	0	112.2	Y39 K72	D35-Y39 WeakPolarHBondContact O-CB 3.28Å; D35-Y39 PolarHBondContact O-N 3.12Å; D35-Y39 VanDerWaalsContact O-N 3.17Å; D35-K72 IonicContact OD1-NZ 3.74Å; D35-K72 PolarHBondContact OD1-NZ 2.96Å
36	S	82.8	Confident	68.9	Low	82 Å²	82	78.7 Å²	78.7	57%	0.573	39%	0.391	S	S	*	.	H	α-helix	trans	-73.5	-46.1	178.9	-171.5	0	0	0	0	111.9	M33 D34 K40	M33-S36 WeakPolarHBondContact O-CB 3.27Å; M33-S36 PolarHBondContact O-N 3.33Å; D34-S36 PolarHBondContact O-N 3.42Å; D34-S36 VanDerWaalsContact O-N 3.16Å; S36-K40 VanDerWaalsContact O-CB 3.25Å; S36-K40 WeakPolarHBondContact O-CB 3.32Å; S36-K40 PolarHBondContact O-N 3.49Å
37	E	88.9	Confident	71.8	Confident	76 Å²	76	73.5 Å²	73.5	36%	0.355	37%	0.368	S	S	.	.	H	α-helix	trans	-70.3	-44.5	-179.6	-174	165.6	-164.2	0	0	111.7	M33 D34 Y39 K40 L41 R81	M33-E37 PolarHBondContact O-N 2.85Å; D34-E37 PolarHBondContact O-N 3.22Å; E37-Y39 VanDerWaalsContact C-N 3.32Å; E37-Y39 PolarHBondContact O-N 3.1Å; E37-K40 WeakPolarHBondContact O-CB 3.47Å; E37-K40 PolarHBondContact O-N 3.44Å; E37-K40 VanDerWaalsContact O-N 3.13Å; E37-L41 HydrophobicContact CG-CD1 3.91Å; E37-L41 HydrophobicContact CG-CG 4.4Å; E37-L41 WeakPolarHBondContact O-CG 3.45Å; E37-L41 PolarHBondContact O-N 3.19Å; E37-R81 IonicContact OE1-CZ 3.94Å; E37-R81 IonicContact OE1-NH1 3.2Å; E37-R81 IonicContact OE1-NH2 2.67Å; E37-R81 PolarHBondContact OE1-NH2 2.93Å
38	T	91.9	Very high	74.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.2	-45.4	176.5	-61.1	0	0	0	0	111.2	D34 K40 L41 W42 L68 F71 K72 D77 P79	D34-T38 WeakPolarHBondContact O-CB 3.46Å; D34-T38 PolarHBondContact O-N 3.32Å; D34-T38 PolarHBondContact O-OG1 3.34Å; T38-K40 PolarHBondContact O-N 2.96Å; T38-L41 PolarHBondContact O-N 2.95Å; T38-W42 WeakPolarHBondContact O-CB 3.07Å; T38-W42 PolarHBondContact O-N 3.35Å; T38-L68 HydrophobicContact CG2-CD1 4.46Å; T38-F71 HydrophobicContact CG2-CD1 4.21Å; T38-F71 HydrophobicContact CG2-CE1 4.05Å; T38-K72 HydrophobicContact CG2-CD 4.42Å; T38-K72 HydrophobicContact CG2-CG 3.77Å; T38-D77 WeakPolarHBondContact CB-OD1 3.43Å; T38-D77 WeakPolarHBondContact CG2-OD1 3.44Å; T38-D77 PolarHBondContact OG1-OD1 3.46Å; T38-P79 HydrophobicContact CG2-CG 4.33Å; T38-P79 WeakPolarHBondContact OG1-CD 3.37Å
39	Y	92.5	Very high	77.9	Confident	85 Å²	85	59.5 Å²	59.5	33%	0.333	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-41.2	175.3	178.6	-102.6	0	0	0	112.6	D35 E37 W42 R43 L68	D35-Y39 WeakPolarHBondContact O-CB 3.28Å; D35-Y39 PolarHBondContact O-N 3.12Å; D35-Y39 VanDerWaalsContact O-N 3.17Å; E37-Y39 VanDerWaalsContact C-N 3.32Å; E37-Y39 PolarHBondContact O-N 3.1Å; Y39-W42 AromaticContact CD2-CE3 3.78Å; Y39-W42 HydrophobicContact CD2-CE3 3.78Å; Y39-W42 AromaticContact CD2-CZ3 3.95Å; Y39-W42 HydrophobicContact CD2-CZ3 3.95Å; Y39-W42 AromaticContact CE2-CE3 3.86Å; Y39-W42 HydrophobicContact CE2-CE3 3.86Å; Y39-W42 AromaticContact CE2-CZ3 3.55Å; Y39-W42 HydrophobicContact CE2-CZ3 3.55Å; Y39-W42 PolarHBondContact O-N 2.49Å; Y39-R43 HydrophobicContact CD1-CG 4.34Å; Y39-R43 HydrophobicContact CE1-CG 4Å; Y39-R43 HydrophobicContact CE2-CG 4.26Å; Y39-R43 WeakPolarHBondContact O-CB 3.34Å; Y39-R43 WeakPolarHBondContact O-CG 3.19Å; Y39-R43 PolarHBondContact O-N 2.75Å; Y39-R43 PolarHBondContact OH-NE 3.26Å; Y39-R43 PolarHBondContact OH-NH2 3.34Å; Y39-L68 HydrophobicContact CD2-CD1 4.41Å; Y39-L68 HydrophobicContact CD2-CD2 4.05Å
40	K	93.7	Very high	80.6	Confident	54 Å²	54	58.6 Å²	58.6	24%	0.235	29%	0.29	C	S	.	.	H	α-helix	trans	-58.3	-51.3	176.8	-168.6	-164.5	-174.6	-172	0	110.7	S36 E37 T38 R43 I44 E159 N160 M163	S36-K40 VanDerWaalsContact O-CB 3.25Å; S36-K40 WeakPolarHBondContact O-CB 3.32Å; S36-K40 PolarHBondContact O-N 3.49Å; E37-K40 WeakPolarHBondContact O-CB 3.47Å; E37-K40 PolarHBondContact O-N 3.44Å; E37-K40 VanDerWaalsContact O-N 3.13Å; T38-K40 PolarHBondContact O-N 2.96Å; K40-R43 PolarHBondContact O-N 2.74Å; K40-I44 HydrophobicContact CD-CD1 4.47Å; K40-I44 HydrophobicContact CG-CD1 3.98Å; K40-I44 WeakPolarHBondContact O-CD1 3.31Å; K40-I44 VanDerWaalsContact O-CG1 3.28Å; K40-I44 WeakPolarHBondContact O-CG1 3.38Å; K40-I44 PolarHBondContact O-N 3.42Å; K40-E159 WeakPolarHBondContact CE-OE2 3.21Å; K40-E159 IonicContact NZ-OE2 2.84Å; K40-E159 PolarHBondContact NZ-OE2 2.69Å; K40-N160 PolarHBondContact NZ-OD1 3.47Å; K40-M163 HydrophobicContact CB-CE 4.41Å; K40-M163 HydrophobicContact CB-SD 4.15Å; K40-M163 HydrophobicContact CG-CE 3.96Å; K40-M163 HydrophobicContact CG-CG 4.38Å; K40-M163 HydrophobicContact CG-SD 3.31Å; K40-M163 WeakPolarHBondContact CG-SD 3.48Å
41	L	94.8	Very high	83.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-66.9	-39.3	-178.7	-68.2	169.3	0	0	0	112	E37 T38 I44 R45 P79 L84	E37-L41 HydrophobicContact CG-CD1 3.91Å; E37-L41 HydrophobicContact CG-CG 4.4Å; E37-L41 WeakPolarHBondContact O-CG 3.45Å; E37-L41 PolarHBondContact O-N 3.19Å; T38-L41 PolarHBondContact O-N 2.95Å; L41-I44 PolarHBondContact O-N 3.37Å; L41-R45 WeakPolarHBondContact O-CB 3.43Å; L41-R45 PolarHBondContact O-N 2.71Å; L41-P79 HydrophobicContact CD1-CG 3.72Å; L41-L84 HydrophobicContact CB-CD1 4.03Å; L41-L84 HydrophobicContact CD1-CD1 4.02Å; L41-L84 HydrophobicContact CD2-CD1 3.86Å; L41-L84 HydrophobicContact CG-CD1 4.18Å
42	W	94.4	Very high	86	Confident	36 Å²	36	47.7 Å²	47.7	14%	0.136	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-47	172	171	73.3	0	0	0	112.2	T38 Y39 R45 K46 Q66 S67 L68 F71	T38-W42 WeakPolarHBondContact O-CB 3.07Å; T38-W42 PolarHBondContact O-N 3.35Å; Y39-W42 AromaticContact CD2-CE3 3.78Å; Y39-W42 HydrophobicContact CD2-CE3 3.78Å; Y39-W42 AromaticContact CD2-CZ3 3.95Å; Y39-W42 HydrophobicContact CD2-CZ3 3.95Å; Y39-W42 AromaticContact CE2-CE3 3.86Å; Y39-W42 HydrophobicContact CE2-CE3 3.86Å; Y39-W42 AromaticContact CE2-CZ3 3.55Å; Y39-W42 HydrophobicContact CE2-CZ3 3.55Å; Y39-W42 PolarHBondContact O-N 2.49Å; W42-R45 PolarHBondContact O-N 3.06Å; W42-K46 HydrophobicContact CH2-CD 4.4Å; W42-K46 HydrophobicContact CZ2-CD 3.85Å; W42-K46 VanDerWaalsContact CZ2-CE 3.46Å; W42-K46 PolarHBondContact O-N 2.9Å; W42-Q66 PolarHBondContact NE1-O 3.29Å; W42-S67 PolarHBondContact NE1-O 3.14Å; W42-L68 HydrophobicContact CB-CD1 3.81Å; W42-L68 HydrophobicContact CD2-CB 4.32Å; W42-L68 HydrophobicContact CD2-CD1 3.92Å; W42-L68 HydrophobicContact CE3-CD1 4.16Å; W42-L68 HydrophobicContact CG-CD1 3.77Å; W42-L68 HydrophobicContact CZ2-CB 4.44Å; W42-F71 HydrophobicContact CB-CD1 3.71Å; W42-F71 HydrophobicContact CB-CE1 3.82Å; W42-F71 HydrophobicContact CB-CG 4.1Å; W42-F71 HydrophobicContact CB-CZ 4.31Å; W42-F71 VanDerWaalsContact CD1-CB 3.48Å; W42-F71 AromaticContact CD1-CG 3.56Å; W42-F71 HydrophobicContact CG-CB 4.35Å; W42-F71 HydrophobicContact CG-CD1 4.21Å; W42-F71 HydrophobicContact CG-CG 4.19Å
43	R	94.6	Very high	88.3	Confident	106 Å²	106	48.1 Å²	48.1	40%	0.4	23%	0.226	S	C	.	.	H	α-helix	trans	-61.2	-47.4	177	-82.4	-128.6	177.3	-170.2	-0.8	112.1	Y39 K40 R45 K46 T47 M163	Y39-R43 HydrophobicContact CD1-CG 4.34Å; Y39-R43 HydrophobicContact CE1-CG 4Å; Y39-R43 HydrophobicContact CE2-CG 4.26Å; Y39-R43 WeakPolarHBondContact O-CB 3.34Å; Y39-R43 WeakPolarHBondContact O-CG 3.19Å; Y39-R43 PolarHBondContact O-N 2.75Å; Y39-R43 PolarHBondContact OH-NE 3.26Å; Y39-R43 PolarHBondContact OH-NH2 3.34Å; K40-R43 PolarHBondContact O-N 2.74Å; R43-R45 VanDerWaalsContact C-N 3.33Å; R43-R45 PolarHBondContact O-N 3.1Å; R43-K46 WeakPolarHBondContact O-CB 3.16Å; R43-K46 PolarHBondContact O-N 2.94Å; R43-T47 PolarHBondContact O-N 2.9Å; R43-T47 PolarHBondContact O-OG1 3.31Å; R43-M163 HydrophobicContact CB-CE 4.38Å; R43-M163 HydrophobicContact CB-SD 4.24Å
44	I	95.9	Very high	90.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-46.6	177.6	-70.5	164	0	0	0	110.2	K40 L41 K46 T47 I48 F102 V131 E159 L162 M163	K40-I44 HydrophobicContact CD-CD1 4.47Å; K40-I44 HydrophobicContact CG-CD1 3.98Å; K40-I44 WeakPolarHBondContact O-CD1 3.31Å; K40-I44 VanDerWaalsContact O-CG1 3.28Å; K40-I44 WeakPolarHBondContact O-CG1 3.38Å; K40-I44 PolarHBondContact O-N 3.42Å; L41-I44 PolarHBondContact O-N 3.37Å; I44-K46 VanDerWaalsContact C-N 3.32Å; I44-K46 PolarHBondContact O-N 2.95Å; I44-T47 PolarHBondContact O-N 3.2Å; I44-T47 VanDerWaalsContact O-N 3.15Å; I44-I48 HydrophobicContact CG2-CD1 3.75Å; I44-I48 HydrophobicContact CG2-CG1 4.37Å; I44-I48 WeakPolarHBondContact O-CG1 3.47Å; I44-I48 PolarHBondContact O-N 3.35Å; I44-F102 HydrophobicContact CG2-CE1 4.01Å; I44-V131 HydrophobicContact CG2-CG1 4Å; I44-E159 HydrophobicContact CD1-CB 3.61Å; I44-E159 HydrophobicContact CD1-CG 3.85Å; I44-L162 HydrophobicContact CB-CB 4.42Å; I44-L162 HydrophobicContact CG1-CB 4.15Å; I44-L162 HydrophobicContact CG2-CB 3.9Å; I44-L162 HydrophobicContact CG2-CD1 3.99Å; I44-M163 HydrophobicContact CD1-SD 4.05Å; I44-M163 HydrophobicContact CG1-CG 4.36Å; I44-M163 HydrophobicContact CG1-SD 3.8Å
45	R	95.5	Very high	92.8	Very high	41 Å²	41	43.8 Å²	43.8	16%	0.155	20%	0.203	C	C	.	.	H	α-helix	trans	-57	-45.2	176.8	-173.8	179.2	177.9	101.2	-1.6	111.4	L41 W42 R43 T47 I48 L49 L84 M86	L41-R45 WeakPolarHBondContact O-CB 3.43Å; L41-R45 PolarHBondContact O-N 2.71Å; W42-R45 PolarHBondContact O-N 3.06Å; R43-R45 VanDerWaalsContact C-N 3.33Å; R43-R45 PolarHBondContact O-N 3.1Å; R45-T47 PolarHBondContact O-N 3.42Å; R45-I48 PolarHBondContact O-N 2.93Å; R45-L49 HydrophobicContact CG-CD1 4.14Å; R45-L49 HydrophobicContact CG-CG 4.48Å; R45-L49 VanDerWaalsContact O-CG 3.32Å; R45-L49 WeakPolarHBondContact O-CG 3.42Å; R45-L49 PolarHBondContact O-N 2.99Å; R45-L84 PolarHBondContact NH1-O 3.45Å; R45-M86 HydrophobicContact CG-SD 3.85Å
46	K	95.1	Very high	94.3	Very high	47 Å²	47	40.7 Å²	40.7	20%	0.204	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-45.3	174.8	-83	-159.8	171.2	-168.2	0	113	W42 R43 I44 I48 L49 K50 L64 Q66	W42-K46 HydrophobicContact CH2-CD 4.4Å; W42-K46 HydrophobicContact CZ2-CD 3.85Å; W42-K46 VanDerWaalsContact CZ2-CE 3.46Å; W42-K46 PolarHBondContact O-N 2.9Å; R43-K46 WeakPolarHBondContact O-CB 3.16Å; R43-K46 PolarHBondContact O-N 2.94Å; I44-K46 VanDerWaalsContact C-N 3.32Å; I44-K46 PolarHBondContact O-N 2.95Å; K46-I48 VanDerWaalsContact C-N 3.31Å; K46-I48 PolarHBondContact O-N 3.47Å; K46-L49 PolarHBondContact O-N 3.4Å; K46-K50 WeakPolarHBondContact O-CG 3.43Å; K46-K50 PolarHBondContact O-N 3.29Å; K46-L64 VanDerWaalsContact CE-O 3.29Å; K46-L64 WeakPolarHBondContact CE-O 3.49Å; K46-L64 PolarHBondContact NZ-O 3.35Å; K46-Q66 WeakPolarHBondContact CE-O 3.44Å; K46-Q66 PolarHBondContact NZ-O 3.36Å
47	T	96.7	Very high	95	Very high	13 Å²	13	37.1 Å²	37.1	8%	0.08	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-42.7	177.4	-58.1	0	0	0	0	111.1	R43 I44 R45 K50 M51 L162 N165	R43-T47 PolarHBondContact O-N 2.9Å; R43-T47 PolarHBondContact O-OG1 3.31Å; I44-T47 PolarHBondContact O-N 3.2Å; I44-T47 VanDerWaalsContact O-N 3.15Å; R45-T47 PolarHBondContact O-N 3.42Å; T47-K50 PolarHBondContact O-N 3.48Å; T47-M51 WeakPolarHBondContact O-CB 3.06Å; T47-M51 PolarHBondContact O-N 3.04Å; T47-L162 WeakPolarHBondContact CB-O 3.43Å; T47-L162 HydrophobicContact CG2-CD2 4.33Å; T47-L162 WeakPolarHBondContact CG2-O 3.32Å; T47-L162 PolarHBondContact OG1-O 2.95Å; T47-N165 HydrophobicContact CG2-CB 4.11Å
48	I	97.2	Very high	95.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.4	-43.1	178.9	-61.5	166.8	0	0	0	111.2	I44 R45 K46 K50 M51 C52 M86 V100 F102 V131 L162	I44-I48 HydrophobicContact CG2-CD1 3.75Å; I44-I48 HydrophobicContact CG2-CG1 4.37Å; I44-I48 WeakPolarHBondContact O-CG1 3.47Å; I44-I48 PolarHBondContact O-N 3.35Å; R45-I48 PolarHBondContact O-N 2.93Å; K46-I48 VanDerWaalsContact C-N 3.31Å; K46-I48 PolarHBondContact O-N 3.47Å; I48-K50 VanDerWaalsContact C-N 3.29Å; I48-K50 PolarHBondContact O-N 2.97Å; I48-M51 HydrophobicContact CB-CE 4.16Å; I48-M51 HydrophobicContact CG1-CE 4.04Å; I48-M51 HydrophobicContact CG2-CE 3.84Å; I48-M51 CarbonylContact O-C 3.57Å; I48-M51 WeakPolarHBondContact O-CB 3.47Å; I48-M51 PolarHBondContact O-N 2.85Å; I48-M51 VanDerWaalsContact O-N 3.12Å; I48-C52 WeakPolarHBondContact O-CB 3.37Å; I48-C52 PolarHBondContact O-N 3.43Å; I48-C52 PolarHBondContact O-SG 2.84Å; I48-M86 HydrophobicContact CB-CE 4.06Å; I48-M86 HydrophobicContact CG2-CE 3.39Å; I48-V100 HydrophobicContact CD1-CG1 3.95Å; I48-V100 HydrophobicContact CG2-CG1 3.98Å; I48-V100 HydrophobicContact CG2-CG2 3.97Å; I48-F102 HydrophobicContact CD1-CE1 4.25Å; I48-F102 HydrophobicContact CD1-CE2 4.46Å; I48-F102 HydrophobicContact CD1-CZ 3.67Å; I48-V131 HydrophobicContact CD1-CG2 3.45Å; I48-V131 VanDerWaalsContact CD1-CG2 3.45Å; I48-L162 HydrophobicContact CD1-CD1 3.87Å; I48-L162 HydrophobicContact CG1-CD1 3.87Å; I48-L162 HydrophobicContact CG1-CD2 4.44Å
49	L	96.9	Very high	95.5	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-60	-40.6	176.8	-71.7	171.1	0	0	0	111.7	R45 K46 C52 K53 V59 E63 L64 M86	R45-L49 HydrophobicContact CG-CD1 4.14Å; R45-L49 HydrophobicContact CG-CG 4.48Å; R45-L49 VanDerWaalsContact O-CG 3.32Å; R45-L49 WeakPolarHBondContact O-CG 3.42Å; R45-L49 PolarHBondContact O-N 2.99Å; K46-L49 PolarHBondContact O-N 3.4Å; L49-C52 PolarHBondContact O-N 2.89Å; L49-K53 PolarHBondContact O-N 3.35Å; L49-V59 HydrophobicContact CB-CG1 4.14Å; L49-V59 HydrophobicContact CD2-CG1 3.92Å; L49-E63 HydrophobicContact CD1-CB 4.11Å; L49-L64 HydrophobicContact CB-CD2 3.77Å; L49-M86 HydrophobicContact CD2-CE 3.91Å; L49-M86 HydrophobicContact CD2-SD 3.84Å; L49-M86 HydrophobicContact CG-CE 4.27Å; L49-M86 HydrophobicContact CG-SD 4.11Å
50	K	96.4	Very high	95.5	Very high	71 Å²	71	40 Å²	40	31%	0.309	19%	0.188	S	C	.	.	H	α-helix	trans	-63	-45.4	172.1	-71.6	178.3	174.7	-175.5	0	112	K46 T47 I48 C52 K53 D54 L64 E168	K46-K50 WeakPolarHBondContact O-CG 3.43Å; K46-K50 PolarHBondContact O-N 3.29Å; T47-K50 PolarHBondContact O-N 3.48Å; I48-K50 VanDerWaalsContact C-N 3.29Å; I48-K50 PolarHBondContact O-N 2.97Å; K50-C52 PolarHBondContact O-N 3.06Å; K50-K53 WeakPolarHBondContact O-CB 3.38Å; K50-K53 PolarHBondContact O-N 2.9Å; K50-D54 PolarHBondContact O-N 3.03Å; K50-L64 HydrophobicContact CG-CD2 3.92Å; K50-E168 VanDerWaalsContact CD-OE1 3.23Å; K50-E168 WeakPolarHBondContact CD-OE1 3.31Å; K50-E168 WeakPolarHBondContact CE-OE1 3.38Å; K50-E168 IonicContact NZ-OE1 2.67Å; K50-E168 PolarHBondContact NZ-OE1 2.58Å; K50-E168 IonicContact NZ-OE2 3.35Å; K50-E168 PolarHBondContact NZ-OE2 3.2Å
51	M	97.1	Very high	95.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-43.2	175.6	176.6	-179.5	48	0	0	112.3	T47 I48 D54 R55 I129 F157 L162 Y209	T47-M51 WeakPolarHBondContact O-CB 3.06Å; T47-M51 PolarHBondContact O-N 3.04Å; I48-M51 HydrophobicContact CB-CE 4.16Å; I48-M51 HydrophobicContact CG1-CE 4.04Å; I48-M51 HydrophobicContact CG2-CE 3.84Å; I48-M51 CarbonylContact O-C 3.57Å; I48-M51 WeakPolarHBondContact O-CB 3.47Å; I48-M51 PolarHBondContact O-N 2.85Å; I48-M51 VanDerWaalsContact O-N 3.12Å; M51-D54 PolarHBondContact O-N 3.09Å; M51-R55 WeakPolarHBondContact O-CB 3.31Å; M51-R55 VanDerWaalsContact O-CG 3.26Å; M51-R55 WeakPolarHBondContact O-CG 3.32Å; M51-R55 PolarHBondContact O-N 2.94Å; M51-I129 HydrophobicContact CE-CD1 3.78Å; M51-F157 HydrophobicContact SD-CE2 4.24Å; M51-F157 HydrophobicContact SD-CZ 4.09Å; M51-L162 HydrophobicContact CE-CD2 4.47Å; M51-Y209 WeakPolarHBondContact CA-OH 3.38Å; M51-Y209 HydrophobicContact CB-CD2 4.31Å; M51-Y209 HydrophobicContact CB-CE1 4.43Å; M51-Y209 HydrophobicContact CB-CE2 3.67Å; M51-Y209 HydrophobicContact CG-CD1 4.49Å; M51-Y209 HydrophobicContact CG-CD2 4.09Å; M51-Y209 HydrophobicContact CG-CE1 4.34Å; M51-Y209 HydrophobicContact CG-CE2 3.94Å; M51-Y209 HydrophobicContact CG-CG 4.38Å; M51-Y209 WeakPolarHBondContact CG-O 3.5Å; M51-Y209 PolarHBondContact N-OH 3.42Å; M51-Y209 HydrophobicContact SD-CD2 4.23Å
52	C	96.6	Very high	95.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-46.1	175.5	-70.9	0	0	0	0	110.7	I48 L49 K50 D54 R55 G56 Y57 V59 V88	I48-C52 WeakPolarHBondContact O-CB 3.37Å; I48-C52 PolarHBondContact O-N 3.43Å; I48-C52 PolarHBondContact O-SG 2.84Å; L49-C52 PolarHBondContact O-N 2.89Å; K50-C52 PolarHBondContact O-N 3.06Å; C52-D54 PolarHBondContact O-N 3.03Å; C52-R55 PolarHBondContact O-N 2.84Å; C52-G56 PolarHBondContact O-N 2.94Å; C52-Y57 WeakPolarHBondContact O-CB 3.43Å; C52-Y57 WeakPolarHBondContact O-CD2 3.44Å; C52-Y57 PolarHBondContact O-N 3.3Å; C52-V59 HydrophobicContact CB-CG2 3.81Å; C52-V88 HydrophobicContact CB-CG2 4.22Å
53	K	95.8	Very high	95.3	Very high	117 Å²	117	52.1 Å²	52.1	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-59.6	-47.5	175	178.4	175.9	174.8	179.9	0	112.4	L49 K50 R55 G56 V59 L64	L49-K53 PolarHBondContact O-N 3.35Å; K50-K53 WeakPolarHBondContact O-CB 3.38Å; K50-K53 PolarHBondContact O-N 2.9Å; K53-R55 PolarHBondContact O-N 3.03Å; K53-G56 PolarHBondContact O-N 2.83Å; K53-V59 HydrophobicContact CB-CB 4.36Å; K53-V59 HydrophobicContact CB-CG2 4.35Å; K53-L64 HydrophobicContact CD-CD1 3.7Å
54	D	94.9	Very high	95.2	Very high	72 Å²	72	48.3 Å²	48.3	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-22.7	-180	-69.9	-14	0	0	0	112.9	K50 M51 C52 Y209 Y210	K50-D54 PolarHBondContact O-N 3.03Å; M51-D54 PolarHBondContact O-N 3.09Å; C52-D54 PolarHBondContact O-N 3.03Å; D54-Y209 HydrophobicContact CB-CE1 3.95Å; D54-Y209 WeakPolarHBondContact OD2-CE1 3.42Å; D54-Y209 PolarHBondContact OD2-OH 3.38Å; D54-Y210 HydrophobicContact CB-CE1 4.16Å
55	R	95.3	Very high	95	Very high	26 Å²	26	55.6 Å²	55.6	10%	0.098	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	0.4	174.8	-71.9	176	-176.7	-149	2.2	114.1	M51 C52 K53 Y57 E155 R208 Y209	M51-R55 WeakPolarHBondContact O-CB 3.31Å; M51-R55 VanDerWaalsContact O-CG 3.26Å; M51-R55 WeakPolarHBondContact O-CG 3.32Å; M51-R55 PolarHBondContact O-N 2.94Å; C52-R55 PolarHBondContact O-N 2.84Å; K53-R55 PolarHBondContact O-N 3.03Å; R55-Y57 HydrophobicContact CB-CD2 3.69Å; R55-Y57 HydrophobicContact CB-CE2 3.76Å; R55-E155 IonicContact CZ-OE2 3.75Å; R55-E155 VanDerWaalsContact CZ-OE2 3.24Å; R55-E155 VanDerWaalsContact NH1-CD 3.29Å; R55-E155 IonicContact NH1-OE1 3.33Å; R55-E155 PolarHBondContact NH1-OE1 3.23Å; R55-E155 IonicContact NH1-OE2 3.68Å; R55-E155 PolarHBondContact NH1-OE2 2.95Å; R55-E155 IonicContact NH2-OE2 2.82Å; R55-E155 PolarHBondContact NH2-OE2 3.29Å; R55-R208 PolarHBondContact NH2-O 2.84Å; R55-Y209 PolarHBondContact NE-O 3.13Å; R55-Y209 PolarHBondContact NH2-O 2.85Å
56	G	94.1	Very high	94.9	Very high	23 Å²	23	55.2 Å²	55.2	24%	0.237	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	16.8	-178.8	0	0	0	0	0	114.9	C52 K53 H90 E91	C52-G56 PolarHBondContact O-N 2.94Å; K53-G56 PolarHBondContact O-N 2.83Å; G56-H90 PolarHBondContact O-CD2 3.25Å; G56-E91 WeakPolarHBondContact O-CB 3.43Å; G56-E91 PolarHBondContact O-N 2.69Å
57	Y	96.3	Very high	94.8	Very high	6 Å²	6	55 Å²	55	2%	0.024	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-86.6	145.8	171.8	-63.3	-91.5	0	0	0	111.4	C52 R55 V59 V88 N89 H90 D96 L98 R127	C52-Y57 WeakPolarHBondContact O-CB 3.43Å; C52-Y57 WeakPolarHBondContact O-CD2 3.44Å; C52-Y57 PolarHBondContact O-N 3.3Å; R55-Y57 HydrophobicContact CB-CD2 3.69Å; R55-Y57 HydrophobicContact CB-CE2 3.76Å; Y57-V59 PolarHBondContact O-N 3.27Å; Y57-V88 HydrophobicContact CD1-CB 4.46Å; Y57-V88 HydrophobicContact CD1-CG2 3.77Å; Y57-V88 HydrophobicContact CG-CG2 3.85Å; Y57-N89 WeakPolarHBondContact CA-O 3.41Å; Y57-H90 HydrophobicContact CD1-CB 4.12Å; Y57-H90 HydrophobicContact CE1-CB 4.03Å; Y57-D96 PolarHBondContact OH-OD2 3.42Å; Y57-L98 HydrophobicContact CD1-CB 3.99Å; Y57-L98 HydrophobicContact CD2-CD2 4.15Å; Y57-L98 HydrophobicContact CE1-CB 3.47Å; Y57-L98 VanDerWaalsContact CE1-CB 3.47Å; Y57-L98 HydrophobicContact CE1-CD2 4.31Å; Y57-L98 HydrophobicContact CE2-CB 4.45Å; Y57-L98 HydrophobicContact CE2-CD2 3.81Å; Y57-R127 PolarHBondContact OH-NE 3.29Å; Y57-R127 PolarHBondContact OH-NH1 2.94Å
58	L	95.6	Very high	94.6	Very high	85 Å²	85	56.8 Å²	56.8	45%	0.445	29%	0.286	S	S	.	.			trans	-68.6	113.2	175.4	-66.2	172.1	0	0	0	109.8	N89 E91	L58-N89 WeakPolarHBondContact CB-O 3.49Å; L58-N89 PolarHBondContact N-O 3.45Å; L58-E91 HydrophobicContact CD2-CB 3.78Å; L58-E91 HydrophobicContact CD2-CG 3.79Å; L58-E91 HydrophobicContact CG-CB 4.04Å
59	V	95.2	Very high	94.4	Very high	19 Å²	19	64.3 Å²	64.3	12%	0.115	32%	0.321	C	S	.	.			trans	-130.9	129.3	175.1	-179.3	0	0	0	0	108.6	L49 C52 K53 Y57 E63 L64 V88	L49-V59 HydrophobicContact CB-CG1 4.14Å; L49-V59 HydrophobicContact CD2-CG1 3.92Å; C52-V59 HydrophobicContact CB-CG2 3.81Å; K53-V59 HydrophobicContact CB-CB 4.36Å; K53-V59 HydrophobicContact CB-CG2 4.35Å; Y57-V59 PolarHBondContact O-N 3.27Å; V59-E63 HydrophobicContact CG1-CB 4.45Å; V59-L64 HydrophobicContact CG1-CD1 4.29Å; V59-L64 HydrophobicContact CG1-CD2 3.94Å; V59-L64 HydrophobicContact CG1-CG 3.85Å; V59-V88 HydrophobicContact CG2-CG1 4.47Å
60	M	94.1	Very high	94.2	Very high	119 Å²	119	68.2 Å²	68.2	59%	0.586	34%	0.342	S	S	*	.			trans	-75.2	139.7	-175.7	-64.9	-65.8	161.5	0	0	110.5	K62 E63 L64	M60-K62 PolarHBondContact O-N 3.5Å; M60-K62 VanDerWaalsContact O-N 3.16Å; M60-E63 HydrophobicContact CB-CG 4.07Å; M60-E63 PolarHBondContact N-OE2 3.16Å; M60-E63 VanDerWaalsContact N-OE2 3.09Å; M60-E63 WeakPolarHBondContact O-CB 3.28Å; M60-E63 PolarHBondContact O-N 3.29Å; M60-L64 PolarHBondContact O-N 3.15Å
61	P	93.1	Very high	94.1	Very high	84 Å²	84	64.9 Å²	64.9	55%	0.545	33%	0.328	S	S	.	.	H	α-helix	trans	-54	-38	177.4	-28	35	0	0	0	113.4	E63 L64 E65	P61-E63 VanDerWaalsContact C-N 3.26Å; P61-E63 PolarHBondContact O-N 2.94Å; P61-L64 WeakPolarHBondContact O-CB 3.5Å; P61-L64 PolarHBondContact O-N 3.06Å; P61-L64 VanDerWaalsContact O-N 3.16Å; P61-E65 PolarHBondContact O-N 3.23Å
62	K	93	Very high	93.9	Very high	180 Å²	180	67.1 Å²	67.1	78%	0.783	34%	0.337	S	S	*	.	H	α-helix	trans	-59	-34.9	176.5	-173.3	-179.2	177.2	-174.3	0	112.9	M60 Q66	M60-K62 PolarHBondContact O-N 3.5Å; M60-K62 VanDerWaalsContact O-N 3.16Å; K62-Q66 PolarHBondContact O-N 3.09Å; K62-Q66 VanDerWaalsContact O-N 3.15Å
63	E	91.9	Very high	93.6	Very high	80 Å²	80	71.2 Å²	71.2	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-73.1	-36.9	178.6	-63.5	174.2	141.3	0	0	111.3	L49 V59 M60 P61 E65 Q66	L49-E63 HydrophobicContact CD1-CB 4.11Å; V59-E63 HydrophobicContact CG1-CB 4.45Å; M60-E63 HydrophobicContact CB-CG 4.07Å; M60-E63 PolarHBondContact N-OE2 3.16Å; M60-E63 VanDerWaalsContact N-OE2 3.09Å; M60-E63 WeakPolarHBondContact O-CB 3.28Å; M60-E63 PolarHBondContact O-N 3.29Å; P61-E63 VanDerWaalsContact C-N 3.26Å; P61-E63 PolarHBondContact O-N 2.94Å; E63-E65 VanDerWaalsContact C-N 3.31Å; E63-E65 PolarHBondContact O-N 3.28Å; E63-Q66 WeakPolarHBondContact O-CB 3.2Å
64	L	91.7	Very high	93.3	Very high	26 Å²	26	70.8 Å²	70.8	14%	0.136	38%	0.379	C	S	.	.	H	α-helix	trans	-67	-35.9	176.4	-65.8	166.5	0	0	0	112	K46 L49 K50 K53 V59 M60 P61	K46-L64 VanDerWaalsContact CE-O 3.29Å; K46-L64 WeakPolarHBondContact CE-O 3.49Å; K46-L64 PolarHBondContact NZ-O 3.35Å; L49-L64 HydrophobicContact CB-CD2 3.77Å; K50-L64 HydrophobicContact CG-CD2 3.92Å; K53-L64 HydrophobicContact CD-CD1 3.7Å; V59-L64 HydrophobicContact CG1-CD1 4.29Å; V59-L64 HydrophobicContact CG1-CD2 3.94Å; V59-L64 HydrophobicContact CG1-CG 3.85Å; M60-L64 PolarHBondContact O-N 3.15Å; P61-L64 WeakPolarHBondContact O-CB 3.5Å; P61-L64 PolarHBondContact O-N 3.06Å; P61-L64 VanDerWaalsContact O-N 3.16Å
65	E	92.7	Very high	93	Very high	153 Å²	153	68.3 Å²	68.3	72%	0.715	37%	0.366	S	S	*	.	H	α-helix	trans	-90.4	-5	-175.6	-67.9	174.5	-177.7	0	0	113.5	P61 E63 S67	P61-E65 PolarHBondContact O-N 3.23Å; E63-E65 VanDerWaalsContact C-N 3.31Å; E63-E65 PolarHBondContact O-N 3.28Å; E65-S67 PolarHBondContact O-N 3.28Å
66	Q	92.3	Very high	92.6	Very high	33 Å²	33	68.5 Å²	68.5	15%	0.154	38%	0.376	C	S	.	.			trans	-46.5	125.6	-178	-170.9	-179.3	30.2	0	0	112.3	W42 K46 K62 E63 D70 F71	W42-Q66 PolarHBondContact NE1-O 3.29Å; K46-Q66 WeakPolarHBondContact CE-O 3.44Å; K46-Q66 PolarHBondContact NZ-O 3.36Å; K62-Q66 PolarHBondContact O-N 3.09Å; K62-Q66 VanDerWaalsContact O-N 3.15Å; E63-Q66 WeakPolarHBondContact O-CB 3.2Å; Q66-D70 HydrophobicContact CG-CB 3.83Å; Q66-F71 HydrophobicContact CG-CB 4.38Å
67	S	94.5	Very high	92.3	Very high	44 Å²	44	70.9 Å²	70.9	31%	0.308	38%	0.383	S	S	.	.			trans	-73.8	165.8	176.6	74.7	0	0	0	0	111.4	W42 E65 E69 D70 F71	W42-S67 PolarHBondContact NE1-O 3.14Å; E65-S67 PolarHBondContact O-N 3.28Å; S67-E69 VanDerWaalsContact C-N 3.3Å; S67-D70 WeakPolarHBondContact CB-OD2 3.36Å; S67-D70 PolarHBondContact N-OD2 2.7Å; S67-D70 WeakPolarHBondContact OG-CB 3.17Å; S67-D70 PolarHBondContact OG-N 2.93Å; S67-D70 VanDerWaalsContact OG-N 3.07Å; S67-D70 PolarHBondContact OG-OD2 2.64Å; S67-F71 WeakPolarHBondContact O-CB 3.41Å; S67-F71 PolarHBondContact O-N 3.17Å
68	L	92.7	Very high	91.7	Very high	50 Å²	50	74.2 Å²	74.2	26%	0.262	41%	0.406	S	S	.	.	H	α-helix	trans	-63.9	-38.9	174.7	179.6	64.7	0	0	0	111.1	T38 Y39 W42 F71 K72	T38-L68 HydrophobicContact CG2-CD1 4.46Å; Y39-L68 HydrophobicContact CD2-CD1 4.41Å; Y39-L68 HydrophobicContact CD2-CD2 4.05Å; W42-L68 HydrophobicContact CB-CD1 3.81Å; W42-L68 HydrophobicContact CD2-CB 4.32Å; W42-L68 HydrophobicContact CD2-CD1 3.92Å; W42-L68 HydrophobicContact CE3-CD1 4.16Å; W42-L68 HydrophobicContact CG-CD1 3.77Å; W42-L68 HydrophobicContact CZ2-CB 4.44Å; L68-F71 WeakPolarHBondContact O-CB 3.05Å; L68-F71 PolarHBondContact O-N 3.43Å; L68-K72 WeakPolarHBondContact O-CG 3.38Å; L68-K72 PolarHBondContact O-N 3.21Å
69	E	92.5	Very high	91.3	Very high	157 Å²	157	70.9 Å²	70.9	73%	0.734	39%	0.389	S	S	*	.	H	α-helix	trans	-65.3	-44.2	178.4	-63.2	-173.1	172.8	0	0	111.4	S67 F71 K72 A73	S67-E69 VanDerWaalsContact C-N 3.3Å; E69-F71 PolarHBondContact O-N 3.5Å; E69-K72 PolarHBondContact O-N 2.98Å; E69-A73 WeakPolarHBondContact O-CB 3.44Å; E69-A73 PolarHBondContact O-N 3.05Å
70	D	93.2	Very high	91.1	Very high	88 Å²	88	73.1 Å²	73.1	47%	0.471	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-35.9	175.4	-64.1	-43.3	0	0	0	111.7	Q66 S67 A73 T74	Q66-D70 HydrophobicContact CG-CB 3.83Å; S67-D70 WeakPolarHBondContact CB-OD2 3.36Å; S67-D70 PolarHBondContact N-OD2 2.7Å; S67-D70 WeakPolarHBondContact OG-CB 3.17Å; S67-D70 PolarHBondContact OG-N 2.93Å; S67-D70 VanDerWaalsContact OG-N 3.07Å; S67-D70 PolarHBondContact OG-OD2 2.64Å; D70-A73 PolarHBondContact O-N 3.15Å; D70-T74 WeakPolarHBondContact O-CB 3.43Å; D70-T74 PolarHBondContact O-N 3.39Å; D70-T74 PolarHBondContact O-OG1 3.46Å
71	F	93.2	Very high	90.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-66	-48.7	176.2	175.7	-98.3	0	0	0	111.5	T38 W42 Q66 S67 L68 E69 A73 T74 V75 P79 L84	T38-F71 HydrophobicContact CG2-CD1 4.21Å; T38-F71 HydrophobicContact CG2-CE1 4.05Å; W42-F71 HydrophobicContact CB-CD1 3.71Å; W42-F71 HydrophobicContact CB-CE1 3.82Å; W42-F71 HydrophobicContact CB-CG 4.1Å; W42-F71 HydrophobicContact CB-CZ 4.31Å; W42-F71 VanDerWaalsContact CD1-CB 3.48Å; W42-F71 AromaticContact CD1-CG 3.56Å; W42-F71 HydrophobicContact CG-CB 4.35Å; W42-F71 HydrophobicContact CG-CD1 4.21Å; W42-F71 HydrophobicContact CG-CG 4.19Å; Q66-F71 HydrophobicContact CG-CB 4.38Å; S67-F71 WeakPolarHBondContact O-CB 3.41Å; S67-F71 PolarHBondContact O-N 3.17Å; L68-F71 WeakPolarHBondContact O-CB 3.05Å; L68-F71 PolarHBondContact O-N 3.43Å; E69-F71 PolarHBondContact O-N 3.5Å; F71-A73 VanDerWaalsContact C-N 3.27Å; F71-A73 PolarHBondContact O-N 2.64Å; F71-T74 PolarHBondContact O-N 3.07Å; F71-T74 VanDerWaalsContact O-N 3.1Å; F71-V75 HydrophobicContact CD2-CG2 3.97Å; F71-V75 HydrophobicContact CE2-CB 4.38Å; F71-V75 HydrophobicContact CE2-CG2 3.69Å; F71-V75 HydrophobicContact CZ-CB 4.42Å; F71-V75 HydrophobicContact CZ-CG2 4.21Å; F71-V75 PolarHBondContact O-N 3.44Å; F71-P79 HydrophobicContact CE1-CB 4.37Å; F71-P79 HydrophobicContact CE1-CG 4.38Å; F71-P79 HydrophobicContact CZ-CB 4.4Å; F71-L84 HydrophobicContact CE2-CD2 3.79Å; F71-L84 HydrophobicContact CZ-CD2 3.59Å
72	K	92.2	Very high	90.7	Very high	47 Å²	47	71.6 Å²	71.6	20%	0.204	38%	0.384	C	S	.	.	H	α-helix	trans	-56.1	-42.3	173.6	-74.3	-176.3	174	-147.4	0	111.6	D35 T38 L68 E69 T74 G76 D77	D35-K72 IonicContact OD1-NZ 3.74Å; D35-K72 PolarHBondContact OD1-NZ 2.96Å; T38-K72 HydrophobicContact CG2-CD 4.42Å; T38-K72 HydrophobicContact CG2-CG 3.77Å; L68-K72 WeakPolarHBondContact O-CG 3.38Å; L68-K72 PolarHBondContact O-N 3.21Å; E69-K72 PolarHBondContact O-N 2.98Å; K72-T74 VanDerWaalsContact C-N 3.32Å; K72-T74 PolarHBondContact O-N 2.67Å; K72-G76 CarbonylContact O-C 3.43Å; K72-G76 WeakPolarHBondContact O-CA 3.42Å; K72-G76 PolarHBondContact O-N 2.93Å; K72-D77 HydrophobicContact CB-CB 4.42Å; K72-D77 HydrophobicContact CD-CB 4.38Å; K72-D77 WeakPolarHBondContact CD-OD2 3.42Å; K72-D77 WeakPolarHBondContact CE-OD2 3.19Å; K72-D77 HydrophobicContact CG-CB 4.22Å; K72-D77 IonicContact NZ-OD1 2.74Å; K72-D77 IonicContact NZ-OD2 3.24Å; K72-D77 PolarHBondContact NZ-OD2 3.29Å
73	A	92.1	Very high	90.5	Very high	87 Å²	87	67.6 Å²	67.6	72%	0.719	37%	0.371	S	S	*	.	H	α-helix	trans	-67	-30.7	178.4	0	0	0	0	0	113.6	E69 D70 F71	E69-A73 WeakPolarHBondContact O-CB 3.44Å; E69-A73 PolarHBondContact O-N 3.05Å; D70-A73 PolarHBondContact O-N 3.15Å; F71-A73 VanDerWaalsContact C-N 3.27Å; F71-A73 PolarHBondContact O-N 2.64Å
74	T	89.2	Confident	90.6	Very high	107 Å²	107	63.8 Å²	63.8	66%	0.656	35%	0.353	S	S	*	.	H	α-helix	trans	-87.2	-43.2	-176.1	-52.2	0	0	0	0	112.5	D70 F71 K72	D70-T74 WeakPolarHBondContact O-CB 3.43Å; D70-T74 PolarHBondContact O-N 3.39Å; D70-T74 PolarHBondContact O-OG1 3.46Å; F71-T74 PolarHBondContact O-N 3.07Å; F71-T74 VanDerWaalsContact O-N 3.1Å; K72-T74 VanDerWaalsContact C-N 3.32Å; K72-T74 PolarHBondContact O-N 2.67Å
75	V	89	Confident	90.7	Very high	21 Å²	21	65.5 Å²	65.5	13%	0.127	36%	0.362	C	S	.	.	H	α-helix	trans	-101.1	-21.1	-172.6	-171.7	0	0	0	0	112.1	F71 P79 D83 L84	F71-V75 HydrophobicContact CD2-CG2 3.97Å; F71-V75 HydrophobicContact CE2-CB 4.38Å; F71-V75 HydrophobicContact CE2-CG2 3.69Å; F71-V75 HydrophobicContact CZ-CB 4.42Å; F71-V75 HydrophobicContact CZ-CG2 4.21Å; F71-V75 PolarHBondContact O-N 3.44Å; V75-P79 HydrophobicContact CB-CB 4.25Å; V75-P79 HydrophobicContact CG1-CB 3.52Å; V75-D83 HydrophobicContact CG1-CB 3.91Å; V75-L84 HydrophobicContact CG1-CD2 3.92Å; V75-L84 HydrophobicContact CG2-CD2 4.46Å
76	G	87	Confident	90.8	Very high	29 Å²	29	58.6 Å²	58.6	30%	0.299	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	168.4	-171.2	0	0	0	0	0	112.8	K72	K72-G76 CarbonylContact O-C 3.43Å; K72-G76 WeakPolarHBondContact O-CA 3.42Å; K72-G76 PolarHBondContact O-N 2.93Å
77	D	86.4	Confident	90.9	Very high	73 Å²	73	60.4 Å²	60.4	39%	0.39	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.1	104.5	177.2	-160.9	22.2	0	0	0	107.5	T38 K72	T38-D77 WeakPolarHBondContact CB-OD1 3.43Å; T38-D77 WeakPolarHBondContact CG2-OD1 3.44Å; T38-D77 PolarHBondContact OG1-OD1 3.46Å; K72-D77 HydrophobicContact CB-CB 4.42Å; K72-D77 HydrophobicContact CD-CB 4.38Å; K72-D77 WeakPolarHBondContact CD-OD2 3.42Å; K72-D77 WeakPolarHBondContact CE-OD2 3.19Å; K72-D77 HydrophobicContact CG-CB 4.22Å; K72-D77 IonicContact NZ-OD1 2.74Å; K72-D77 IonicContact NZ-OD2 3.24Å; K72-D77 PolarHBondContact NZ-OD2 3.29Å
78	P	84	Confident	91	Very high	77 Å²	77	58.8 Å²	58.8	50%	0.5	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	cis	-75.3	149.4	3.7	26.4	-29.2	0	0	0	114	D34	D34-P78 WeakPolarHBondContact OD1-CB 3.33Å; D34-P78 VanDerWaalsContact OD2-CD 3.31Å; D34-P78 WeakPolarHBondContact OD2-CD 3.46Å
79	P	87.4	Confident	91.1	Very high	15 Å²	15	59.7 Å²	59.7	10%	0.097	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	132.7	177.8	29.8	-35.8	0	0	0	111.9	T38 L41 F71 V75 R81	T38-P79 HydrophobicContact CG2-CG 4.33Å; T38-P79 WeakPolarHBondContact OG1-CD 3.37Å; L41-P79 HydrophobicContact CD1-CG 3.72Å; F71-P79 HydrophobicContact CE1-CB 4.37Å; F71-P79 HydrophobicContact CE1-CG 4.38Å; F71-P79 HydrophobicContact CZ-CB 4.4Å; V75-P79 HydrophobicContact CB-CB 4.25Å; V75-P79 HydrophobicContact CG1-CB 3.52Å; P79-R81 PolarHBondContact O-N 3.06Å
80	T	90.2	Very high	91.2	Very high	66 Å²	66	53.8 Å²	53.8	41%	0.405	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-74.8	128.2	170.5	-50	0	0	0	0	109.7	K82 D83	T80-K82 HydrophobicContact CG2-CB 4.2Å; T80-K82 PolarHBondContact O-N 3Å; T80-K82 VanDerWaalsContact O-N 3.14Å; T80-D83 WeakPolarHBondContact CB-OD2 3.19Å; T80-D83 PolarHBondContact O-N 2.96Å
81	R	90.7	Very high	91.2	Very high	39 Å²	39	56 Å²	56	15%	0.147	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-58.6	-29.4	-179.8	-73.8	-175.3	171	98	8.6	113.7	E37 P79 D83 L84 F102 P103 E104 Q133 E159	E37-R81 IonicContact OE1-CZ 3.94Å; E37-R81 IonicContact OE1-NH1 3.2Å; E37-R81 IonicContact OE1-NH2 2.67Å; E37-R81 PolarHBondContact OE1-NH2 2.93Å; P79-R81 PolarHBondContact O-N 3.06Å; R81-D83 VanDerWaalsContact C-N 3.3Å; R81-D83 PolarHBondContact O-N 3.44Å; R81-L84 WeakPolarHBondContact O-CB 3.34Å; R81-L84 PolarHBondContact O-N 3.4Å; R81-F102 HydrophobicContact CB-CB 4.18Å; R81-F102 WeakPolarHBondContact O-CB 3.43Å; R81-P103 VanDerWaalsContact CD-O 3.28Å; R81-P103 WeakPolarHBondContact CD-O 3.42Å; R81-E104 HydrophobicContact CB-CG 3.92Å; R81-Q133 VanDerWaalsContact CZ-CD 3.42Å; R81-E159 IonicContact CZ-OE1 2.71Å; R81-E159 IonicContact NE-OE1 2.7Å; R81-E159 IonicContact NH2-OE1 3.49Å; R81-E159 PolarHBondContact NH2-OE1 3.14Å
82	K	89.1	Confident	91	Very high	132 Å²	132	64.3 Å²	64.3	57%	0.574	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-60.8	-36.6	173	-75.2	179.5	-174.2	100.6	0	113.2	T80 L84 L85 E104	T80-K82 HydrophobicContact CG2-CB 4.2Å; T80-K82 PolarHBondContact O-N 3Å; T80-K82 VanDerWaalsContact O-N 3.14Å; K82-L84 PolarHBondContact O-N 3.01Å; K82-L85 VanDerWaalsContact O-CB 3.32Å; K82-L85 WeakPolarHBondContact O-CB 3.06Å; K82-L85 PolarHBondContact O-N 3.16Å; K82-E104 WeakPolarHBondContact CE-OE1 3.49Å; K82-E104 WeakPolarHBondContact CG-OE1 3.46Å; K82-E104 IonicContact NZ-OE1 2.76Å; K82-E104 PolarHBondContact NZ-OE1 2.64Å; K82-E104 IonicContact NZ-OE2 3.4Å; K82-E104 PolarHBondContact NZ-OE2 3.3Å
83	D	89.5	Confident	91	Very high	96 Å²	96	65.9 Å²	65.9	51%	0.513	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-77	-10.3	-178.4	-60.1	-29.7	0	0	0	112.1	V75 T80 R81 L85	V75-D83 HydrophobicContact CG1-CB 3.91Å; T80-D83 WeakPolarHBondContact CB-OD2 3.19Å; T80-D83 PolarHBondContact O-N 2.96Å; R81-D83 VanDerWaalsContact C-N 3.3Å; R81-D83 PolarHBondContact O-N 3.44Å; D83-L85 VanDerWaalsContact C-N 3.27Å
84	L	93.3	Very high	90.7	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-80.6	-6.2	172.7	-58.1	178.5	0	0	0	113.5	L41 R45 F71 V75 R81 K82 M86 F102	L41-L84 HydrophobicContact CB-CD1 4.03Å; L41-L84 HydrophobicContact CD1-CD1 4.02Å; L41-L84 HydrophobicContact CD2-CD1 3.86Å; L41-L84 HydrophobicContact CG-CD1 4.18Å; R45-L84 PolarHBondContact NH1-O 3.45Å; F71-L84 HydrophobicContact CE2-CD2 3.79Å; F71-L84 HydrophobicContact CZ-CD2 3.59Å; V75-L84 HydrophobicContact CG1-CD2 3.92Å; V75-L84 HydrophobicContact CG2-CD2 4.46Å; R81-L84 WeakPolarHBondContact O-CB 3.34Å; R81-L84 PolarHBondContact O-N 3.4Å; K82-L84 PolarHBondContact O-N 3.01Å; L84-M86 WeakPolarHBondContact O-CG 3.48Å; L84-M86 PolarHBondContact O-N 3.03Å; L84-F102 HydrophobicContact CB-CB 4.14Å; L84-F102 HydrophobicContact CB-CD1 4.11Å; L84-F102 HydrophobicContact CB-CD2 3.57Å; L84-F102 HydrophobicContact CB-CE1 4.37Å; L84-F102 HydrophobicContact CB-CE2 3.89Å; L84-F102 HydrophobicContact CB-CG 3.69Å; L84-F102 HydrophobicContact CB-CZ 4.26Å; L84-F102 HydrophobicContact CD1-CD1 3.86Å; L84-F102 HydrophobicContact CD1-CE1 4.2Å; L84-F102 HydrophobicContact CD1-CG 4.16Å; L84-F102 WeakPolarHBondContact O-CD2 3.32Å; L84-F102 WeakPolarHBondContact O-CE2 3.19Å
85	L	94.5	Very high	90.7	Very high	61 Å²	61	64.8 Å²	64.8	32%	0.319	36%	0.359	S	S	.	.			trans	-47.8	129.5	174.7	178.1	63.1	0	0	0	110.6	K82 D83 Y99 V100 F101	K82-L85 VanDerWaalsContact O-CB 3.32Å; K82-L85 WeakPolarHBondContact O-CB 3.06Å; K82-L85 PolarHBondContact O-N 3.16Å; D83-L85 VanDerWaalsContact C-N 3.27Å; L85-Y99 HydrophobicContact CD1-CD1 3.73Å; L85-Y99 HydrophobicContact CD1-CE1 3.99Å; L85-Y99 HydrophobicContact CD2-CE1 4.4Å; L85-V100 WeakPolarHBondContact CD1-O 3.38Å; L85-F101 HydrophobicContact CD1-CD1 3.46Å; L85-F101 VanDerWaalsContact CD1-CD1 3.46Å; L85-F101 HydrophobicContact CD1-CE1 3.54Å; L85-F101 HydrophobicContact CD1-CG 4.34Å; L85-F101 HydrophobicContact CD1-CZ 4.47Å
86	M	94.4	Very high	90.8	Very high	9 Å²	9	65.5 Å²	65.5	4%	0.044	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.2	174.6	-40.5	-168.7	-43.3	0	0	110.1	R45 I48 L49 L84 V100 F102	R45-M86 HydrophobicContact CG-SD 3.85Å; I48-M86 HydrophobicContact CB-CE 4.06Å; I48-M86 HydrophobicContact CG2-CE 3.39Å; L49-M86 HydrophobicContact CD2-CE 3.91Å; L49-M86 HydrophobicContact CD2-SD 3.84Å; L49-M86 HydrophobicContact CG-CE 4.27Å; L49-M86 HydrophobicContact CG-SD 4.11Å; L84-M86 WeakPolarHBondContact O-CG 3.48Å; L84-M86 PolarHBondContact O-N 3.03Å; M86-V100 HydrophobicContact CB-CB 4.03Å; M86-V100 HydrophobicContact CB-CG2 4.32Å; M86-V100 HydrophobicContact CE-CB 3.99Å; M86-V100 HydrophobicContact CE-CG1 4.21Å; M86-V100 HydrophobicContact CE-CG2 3.75Å; M86-V100 HydrophobicContact CG-CB 4.33Å; M86-V100 PolarHBondContact N-O 2.87Å; M86-V100 VanDerWaalsContact N-O 3.13Å; M86-V100 PolarHBondContact O-N 2.78Å; M86-F102 HydrophobicContact CG-CE2 4.47Å
87	V	94.9	Very high	91.1	Very high	70 Å²	70	66.1 Å²	66.1	42%	0.424	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	121	170.9	-171.5	0	0	0	0	106.6	Y99	V87-Y99 HydrophobicContact CG1-CE2 4.34Å; V87-Y99 HydrophobicContact CG2-CD1 3.81Å; V87-Y99 HydrophobicContact CG2-CE1 3.3Å; V87-Y99 HydrophobicContact CG2-CE2 4.33Å; V87-Y99 HydrophobicContact CG2-CG 4.49Å
88	V	95.2	Very high	91.6	Very high	10 Å²	10	62.7 Å²	62.7	6%	0.061	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.8	179	-61.8	0	0	0	0	109.6	C52 Y57 V59 L98	C52-V88 HydrophobicContact CB-CG2 4.22Å; Y57-V88 HydrophobicContact CD1-CB 4.46Å; Y57-V88 HydrophobicContact CD1-CG2 3.77Å; Y57-V88 HydrophobicContact CG-CG2 3.85Å; V59-V88 HydrophobicContact CG2-CG1 4.47Å; V88-L98 HydrophobicContact CG2-CB 3.8Å; V88-L98 HydrophobicContact CG2-CD2 4.06Å; V88-L98 HydrophobicContact CG2-CG 4.23Å; V88-L98 PolarHBondContact N-O 3.1Å; V88-L98 PolarHBondContact O-N 3.33Å
89	N	95.1	Very high	92.2	Very high	69 Å²	69	59.8 Å²	59.8	37%	0.369	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	143	-179	-59	-31	0	0	0	109.7	Y57 L58 M97	Y57-N89 WeakPolarHBondContact CA-O 3.41Å; L58-N89 WeakPolarHBondContact CB-O 3.49Å; L58-N89 PolarHBondContact N-O 3.45Å; N89-M97 VanDerWaalsContact OD1-CG 3.31Å; N89-M97 WeakPolarHBondContact OD1-CG 3.17Å
90	H	95.1	Very high	92.7	Very high	33 Å²	33	59 Å²	59	15%	0.153	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-68.1	144.7	175.2	-169.3	-96.2	0	0	0	111	G56 Y57 E92 D93 D96	G56-H90 PolarHBondContact O-CD2 3.25Å; Y57-H90 HydrophobicContact CD1-CB 4.12Å; Y57-H90 HydrophobicContact CE1-CB 4.03Å; H90-E92 PolarHBondContact ND1-N 3.15Å; H90-E92 VanDerWaalsContact ND1-N 3.2Å; H90-D93 WeakPolarHBondContact CB-O 2.99Å; H90-D93 PolarHBondContact ND1-N 2.89Å; H90-D96 HydrophobicContact CB-CB 3.87Å; H90-D96 VanDerWaalsContact CB-O 3.32Å; H90-D96 WeakPolarHBondContact CB-O 3.16Å; H90-D96 PolarHBondContact N-O 2.9Å
91	E	91.8	Very high	93	Very high	134 Å²	134	56.1 Å²	56.1	63%	0.626	30%	0.295	S	S	*	.	S	Bend	trans	-67.3	-42.3	-176.5	179.5	166.1	-159.3	0	0	112.3	G56 L58	G56-E91 WeakPolarHBondContact O-CB 3.43Å; G56-E91 PolarHBondContact O-N 2.69Å; L58-E91 HydrophobicContact CD2-CB 3.78Å; L58-E91 HydrophobicContact CD2-CG 3.79Å; L58-E91 HydrophobicContact CG-CB 4.04Å
92	E	90.2	Very high	93.3	Very high	175 Å²	175	54.6 Å²	54.6	82%	0.818	29%	0.29	S	S	*	.	S	Bend	trans	-89.2	-23.6	-177.7	-55.7	-177.3	159.1	0	0	113.5	H90	H90-E92 PolarHBondContact ND1-N 3.15Å; H90-E92 VanDerWaalsContact ND1-N 3.2Å
93	D	91.2	Very high	93.6	Very high	80 Å²	80	48.4 Å²	48.4	43%	0.428	26%	0.263	S	S	.	.			trans	-135.4	93.8	-175.1	-175.8	2	0	0	0	110.5	H90 A95 D96	H90-D93 WeakPolarHBondContact CB-O 2.99Å; H90-D93 PolarHBondContact ND1-N 2.89Å; D93-A95 PolarHBondContact O-N 3Å; D93-A95 WeakPolarHBondContact OD1-CB 3.34Å; D93-A95 PolarHBondContact OD1-N 2.76Å; D93-D96 HydrophobicContact CB-CB 4.3Å; D93-D96 PolarHBondContact O-N 3.39Å
94	P	86.9	Confident	93.7	Very high	98 Å²	98	47.9 Å²	47.9	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.4	179.9	-24.9	34.6	0	0	0	114.6
95	A	87.9	Confident	93.7	Very high	73 Å²	73	51.3 Å²	51.3	60%	0.603	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-21.4	174.5	0	0	0	0	0	112.5	D93 M97	D93-A95 PolarHBondContact O-N 3Å; D93-A95 WeakPolarHBondContact OD1-CB 3.34Å; D93-A95 PolarHBondContact OD1-N 2.76Å; A95-M97 PolarHBondContact O-N 3.25Å; A95-M97 VanDerWaalsContact O-N 3.09Å
96	D	91.5	Very high	93.5	Very high	36 Å²	36	53.2 Å²	53.2	19%	0.193	28%	0.281	C	S	.	.			trans	-80.8	87.5	171.5	-168.5	19.6	0	0	0	110.1	Y57 H90 D93 R127	Y57-D96 PolarHBondContact OH-OD2 3.42Å; H90-D96 HydrophobicContact CB-CB 3.87Å; H90-D96 VanDerWaalsContact CB-O 3.32Å; H90-D96 WeakPolarHBondContact CB-O 3.16Å; H90-D96 PolarHBondContact N-O 2.9Å; D93-D96 HydrophobicContact CB-CB 4.3Å; D93-D96 PolarHBondContact O-N 3.39Å; D96-R127 WeakPolarHBondContact OD1-CD 3.45Å; D96-R127 IonicContact OD2-NH1 2.83Å; D96-R127 PolarHBondContact OD2-NH1 3.01Å
97	M	94.4	Very high	93.6	Very high	43 Å²	43	57.9 Å²	57.9	21%	0.212	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	146.7	173.3	-60.5	-171.4	-77	0	0	110.8	N89 A95 D123 T125	N89-M97 VanDerWaalsContact OD1-CG 3.31Å; N89-M97 WeakPolarHBondContact OD1-CG 3.17Å; A95-M97 PolarHBondContact O-N 3.25Å; A95-M97 VanDerWaalsContact O-N 3.09Å; M97-D123 WeakPolarHBondContact CE-O 3.44Å; M97-T125 HydrophobicContact CB-CG2 3.85Å; M97-T125 WeakPolarHBondContact CE-OG1 3.36Å; M97-T125 WeakPolarHBondContact O-CG2 3.46Å
98	L	96.4	Very high	93.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.5	175.3	174.9	68.6	0	0	0	110.1	Y57 V88 R127 I129	Y57-L98 HydrophobicContact CD1-CB 3.99Å; Y57-L98 HydrophobicContact CD2-CD2 4.15Å; Y57-L98 HydrophobicContact CE1-CB 3.47Å; Y57-L98 VanDerWaalsContact CE1-CB 3.47Å; Y57-L98 HydrophobicContact CE1-CD2 4.31Å; Y57-L98 HydrophobicContact CE2-CB 4.45Å; Y57-L98 HydrophobicContact CE2-CD2 3.81Å; V88-L98 HydrophobicContact CG2-CB 3.8Å; V88-L98 HydrophobicContact CG2-CD2 4.06Å; V88-L98 HydrophobicContact CG2-CG 4.23Å; V88-L98 PolarHBondContact N-O 3.1Å; V88-L98 PolarHBondContact O-N 3.33Å; L98-R127 HydrophobicContact CD1-CB 3.8Å; L98-I129 HydrophobicContact CD1-CD1 4.33Å; L98-I129 HydrophobicContact CD1-CG1 4.2Å; L98-I129 HydrophobicContact CD2-CD1 3.96Å
99	Y	97.1	Very high	93.6	Very high	16 Å²	16	56.3 Å²	56.3	6%	0.063	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	141.3	171.1	-96	-83.2	0	0	0	111.3	L85 V87 F101 M120 D123 T125 R127 A128 I129	L85-Y99 HydrophobicContact CD1-CD1 3.73Å; L85-Y99 HydrophobicContact CD1-CE1 3.99Å; L85-Y99 HydrophobicContact CD2-CE1 4.4Å; V87-Y99 HydrophobicContact CG1-CE2 4.34Å; V87-Y99 HydrophobicContact CG2-CD1 3.81Å; V87-Y99 HydrophobicContact CG2-CE1 3.3Å; V87-Y99 HydrophobicContact CG2-CE2 4.33Å; V87-Y99 HydrophobicContact CG2-CG 4.49Å; Y99-F101 VanDerWaalsContact CB-CE2 3.49Å; Y99-F101 AromaticContact CD1-CE1 3.73Å; Y99-F101 HydrophobicContact CD1-CE1 3.73Å; Y99-F101 AromaticContact CD1-CE2 3.97Å; Y99-F101 HydrophobicContact CD1-CE2 3.97Å; Y99-F101 AromaticContact CD1-CZ 3.36Å; Y99-F101 HydrophobicContact CD1-CZ 3.36Å; Y99-F101 HydrophobicContact CE1-CE1 4.25Å; Y99-F101 HydrophobicContact CE1-CZ 4.07Å; Y99-F101 HydrophobicContact CG-CE1 4.46Å; Y99-F101 AromaticContact CG-CE2 3.9Å; Y99-F101 HydrophobicContact CG-CE2 3.9Å; Y99-F101 AromaticContact CG-CZ 3.67Å; Y99-F101 HydrophobicContact CG-CZ 3.67Å; Y99-M120 HydrophobicContact CD2-CG 4.19Å; Y99-M120 HydrophobicContact CG-CG 4.42Å; Y99-D123 HydrophobicContact CE2-CB 4.3Å; Y99-D123 PolarHBondContact OH-OD2 2.65Å; Y99-T125 HydrophobicContact CD2-CG2 3.79Å; Y99-T125 HydrophobicContact CE2-CG2 4.45Å; Y99-R127 PolarHBondContact N-O 3Å; Y99-R127 VanDerWaalsContact N-O 3.1Å; Y99-A128 CarbonylContact O-C 3.57Å; Y99-A128 WeakPolarHBondContact O-CA 3.42Å; Y99-I129 PolarHBondContact O-N 2.96Å
100	V	97.6	Very high	93.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	109.2	169.2	-173.6	0	0	0	0	108.8	I48 L85 M86 F102 I129 V131	I48-V100 HydrophobicContact CD1-CG1 3.95Å; I48-V100 HydrophobicContact CG2-CG1 3.98Å; I48-V100 HydrophobicContact CG2-CG2 3.97Å; L85-V100 WeakPolarHBondContact CD1-O 3.38Å; M86-V100 HydrophobicContact CB-CB 4.03Å; M86-V100 HydrophobicContact CB-CG2 4.32Å; M86-V100 HydrophobicContact CE-CB 3.99Å; M86-V100 HydrophobicContact CE-CG1 4.21Å; M86-V100 HydrophobicContact CE-CG2 3.75Å; M86-V100 HydrophobicContact CG-CB 4.33Å; M86-V100 PolarHBondContact N-O 2.87Å; M86-V100 VanDerWaalsContact N-O 3.13Å; M86-V100 PolarHBondContact O-N 2.78Å; V100-F102 HydrophobicContact CG1-CD2 4.35Å; V100-F102 HydrophobicContact CG1-CE2 3.66Å; V100-F102 HydrophobicContact CG1-CZ 4.25Å; V100-I129 WeakPolarHBondContact CA-O 3.32Å; V100-I129 HydrophobicContact CG1-CB 4.39Å; V100-I129 HydrophobicContact CG1-CG2 4.27Å; V100-I129 HydrophobicContact CG2-CB 4.36Å; V100-V131 HydrophobicContact CG1-CG2 3.98Å
101	F	97	Very high	93.4	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.5	-179.2	-64	-73	0	0	0	111.5	L85 Y99 Y116 M120 A128 I129 V131	L85-F101 HydrophobicContact CD1-CD1 3.46Å; L85-F101 VanDerWaalsContact CD1-CD1 3.46Å; L85-F101 HydrophobicContact CD1-CE1 3.54Å; L85-F101 HydrophobicContact CD1-CG 4.34Å; L85-F101 HydrophobicContact CD1-CZ 4.47Å; Y99-F101 VanDerWaalsContact CB-CE2 3.49Å; Y99-F101 AromaticContact CD1-CE1 3.73Å; Y99-F101 HydrophobicContact CD1-CE1 3.73Å; Y99-F101 AromaticContact CD1-CE2 3.97Å; Y99-F101 HydrophobicContact CD1-CE2 3.97Å; Y99-F101 AromaticContact CD1-CZ 3.36Å; Y99-F101 HydrophobicContact CD1-CZ 3.36Å; Y99-F101 HydrophobicContact CE1-CE1 4.25Å; Y99-F101 HydrophobicContact CE1-CZ 4.07Å; Y99-F101 HydrophobicContact CG-CE1 4.46Å; Y99-F101 AromaticContact CG-CE2 3.9Å; Y99-F101 HydrophobicContact CG-CE2 3.9Å; Y99-F101 AromaticContact CG-CZ 3.67Å; Y99-F101 HydrophobicContact CG-CZ 3.67Å; F101-Y116 HydrophobicContact CB-CD2 4.3Å; F101-Y116 HydrophobicContact CB-CE1 4.43Å; F101-Y116 HydrophobicContact CB-CE2 4.17Å; F101-Y116 HydrophobicContact CB-CG 4.49Å; F101-Y116 AromaticContact CD1-CD1 3.46Å; F101-Y116 HydrophobicContact CD1-CD1 3.46Å; F101-Y116 VanDerWaalsContact CD1-CD1 3.46Å; F101-Y116 AromaticContact CD1-CE1 3.73Å; F101-Y116 HydrophobicContact CD1-CE1 3.73Å; F101-Y116 AromaticContact CD1-CG 3.92Å; F101-Y116 HydrophobicContact CD1-CG 3.92Å; F101-Y116 HydrophobicContact CD2-CD1 4.5Å; F101-Y116 HydrophobicContact CD2-CD2 4.45Å; F101-Y116 HydrophobicContact CD2-CG 4.14Å; F101-Y116 AromaticContact CE1-CD1 3.65Å; F101-Y116 HydrophobicContact CE1-CD1 3.65Å; F101-Y116 HydrophobicContact CE1-CE1 4.3Å; F101-Y116 HydrophobicContact CE1-CG 4.14Å; F101-Y116 HydrophobicContact CE2-CG 4.32Å; F101-Y116 AromaticContact CG-CD1 3.94Å; F101-Y116 HydrophobicContact CG-CD1 3.94Å; F101-Y116 HydrophobicContact CG-CD2 4.19Å; F101-Y116 HydrophobicContact CG-CE1 4.23Å; F101-Y116 HydrophobicContact CG-CE2 4.46Å; F101-Y116 AromaticContact CG-CG 3.93Å; F101-Y116 HydrophobicContact CG-CG 3.93Å; F101-Y116 HydrophobicContact CZ-CD1 4.25Å; F101-Y116 HydrophobicContact CZ-CG 4.34Å; F101-M120 HydrophobicContact CE2-CG 3.87Å; F101-M120 HydrophobicContact CE2-SD 3.9Å; F101-M120 HydrophobicContact CZ-CG 3.97Å; F101-A128 HydrophobicContact CD2-CB 3.97Å; F101-A128 HydrophobicContact CE2-CB 3.83Å; F101-I129 PolarHBondContact N-O 2.79Å; F101-V131 PolarHBondContact O-N 3.03Å
102	F	96.4	Very high	93.6	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.035	29%	0.287	C	S	.	.			trans	-117.6	94.7	173.9	-68.2	-104.9	0	0	0	108.7	I44 I48 R81 L84 M86 V100 V131	I44-F102 HydrophobicContact CG2-CE1 4.01Å; I48-F102 HydrophobicContact CD1-CE1 4.25Å; I48-F102 HydrophobicContact CD1-CE2 4.46Å; I48-F102 HydrophobicContact CD1-CZ 3.67Å; R81-F102 HydrophobicContact CB-CB 4.18Å; R81-F102 WeakPolarHBondContact O-CB 3.43Å; L84-F102 HydrophobicContact CB-CB 4.14Å; L84-F102 HydrophobicContact CB-CD1 4.11Å; L84-F102 HydrophobicContact CB-CD2 3.57Å; L84-F102 HydrophobicContact CB-CE1 4.37Å; L84-F102 HydrophobicContact CB-CE2 3.89Å; L84-F102 HydrophobicContact CB-CG 3.69Å; L84-F102 HydrophobicContact CB-CZ 4.26Å; L84-F102 HydrophobicContact CD1-CD1 3.86Å; L84-F102 HydrophobicContact CD1-CE1 4.2Å; L84-F102 HydrophobicContact CD1-CG 4.16Å; L84-F102 WeakPolarHBondContact O-CD2 3.32Å; L84-F102 WeakPolarHBondContact O-CE2 3.19Å; M86-F102 HydrophobicContact CG-CE2 4.47Å; V100-F102 HydrophobicContact CG1-CD2 4.35Å; V100-F102 HydrophobicContact CG1-CE2 3.66Å; V100-F102 HydrophobicContact CG1-CZ 4.25Å; F102-V131 HydrophobicContact CD1-CB 3.89Å; F102-V131 HydrophobicContact CD1-CG1 3.95Å; F102-V131 HydrophobicContact CD1-CG2 4.2Å; F102-V131 HydrophobicContact CE1-CB 4.04Å; F102-V131 HydrophobicContact CE1-CG1 3.92Å; F102-V131 HydrophobicContact CE1-CG2 3.93Å; F102-V131 HydrophobicContact CE2-CG2 4.33Å; F102-V131 HydrophobicContact CG-CB 4.32Å; F102-V131 HydrophobicContact CZ-CG2 4.01Å
103	P	95.5	Very high	93.8	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.013	25%	0.249	C	C	.	.			trans	-67.2	133.8	179.6	-19.7	35.2	0	0	0	112.3	R81 V108 Y116 V131 L132 Q133	R81-P103 VanDerWaalsContact CD-O 3.28Å; R81-P103 WeakPolarHBondContact CD-O 3.42Å; P103-V108 HydrophobicContact CB-CG2 3.51Å; P103-V108 HydrophobicContact CG-CG2 3.81Å; P103-Y116 WeakPolarHBondContact CA-OH 3.49Å; P103-Y116 HydrophobicContact CB-CE2 4.43Å; P103-Y116 HydrophobicContact CG-CE2 4Å; P103-V131 WeakPolarHBondContact CD-O 3.48Å; P103-L132 HydrophobicContact CG-CD2 4.45Å; P103-Q133 PolarHBondContact O-NE2 3.2Å; P103-Q133 VanDerWaalsContact O-NE2 3.15Å
104	E	92.2	Very high	93.8	Very high	84 Å²	84	51.7 Å²	51.7	39%	0.393	26%	0.256	S	S	.	.	S	Bend	trans	-69.2	-36	176.1	-76.2	172.8	177.6	0	0	112.8	R81 K82 E106 Q133	R81-E104 HydrophobicContact CB-CG 3.92Å; K82-E104 WeakPolarHBondContact CE-OE1 3.49Å; K82-E104 WeakPolarHBondContact CG-OE1 3.46Å; K82-E104 IonicContact NZ-OE1 2.76Å; K82-E104 PolarHBondContact NZ-OE1 2.64Å; K82-E104 IonicContact NZ-OE2 3.4Å; K82-E104 PolarHBondContact NZ-OE2 3.3Å; E104-E106 PolarHBondContact O-N 3.37Å; E104-Q133 PolarHBondContact O-NE2 3.49Å
105	E	91.7	Very high	94.2	Very high	72 Å²	72	49.6 Å²	49.6	34%	0.336	25%	0.248	S	C	.	.	S	Bend	trans	-69.6	128.3	-179.1	-58.4	175.5	156.9	0	0	110.6	K107 N109 T112	E105-K107 PolarHBondContact O-N 3.15Å; E105-N109 VanDerWaalsContact CD-ND2 3.32Å; E105-N109 PolarHBondContact OE1-ND2 3.29Å; E105-N109 VanDerWaalsContact OE2-CG 3.29Å; E105-N109 PolarHBondContact OE2-N 3.2Å; E105-N109 PolarHBondContact OE2-ND2 3.48Å; E105-T112 VanDerWaalsContact CD-OG1 3.31Å; E105-T112 PolarHBondContact OE1-OG1 2.89Å; E105-T112 PolarHBondContact OE2-OG1 3.46Å
106	E	91.8	Very high	94.5	Very high	101 Å²	101	48.1 Å²	48.1	47%	0.472	23%	0.227	S	C	.	.	S	Bend	trans	-54.9	-37.4	173	-68.4	-178.5	168.6	0	0	112	E104 K135 G136	E104-E106 PolarHBondContact O-N 3.37Å; E106-K135 HydrophobicContact CB-CB 4.44Å; E106-K135 HydrophobicContact CB-CD 4.06Å; E106-K135 HydrophobicContact CB-CG 4.46Å; E106-K135 WeakPolarHBondContact O-CB 3.26Å; E106-K135 WeakPolarHBondContact OE2-CD 3.09Å; E106-K135 WeakPolarHBondContact OE2-CE 3.41Å; E106-K135 IonicContact OE2-NZ 3.03Å; E106-K135 PolarHBondContact OE2-NZ 2.93Å; E106-G136 PolarHBondContact O-N 3.5Å
107	K	95.4	Very high	94.6	Very high	107 Å²	107	47 Å²	47	47%	0.465	22%	0.221	S	C	.	.	S	Bend	trans	-120.4	105.8	177.6	-165.7	178.2	-169.9	175.2	0	110.5	E105 N109 K135 G136 T138	E105-K107 PolarHBondContact O-N 3.15Å; K107-N109 PolarHBondContact O-N 2.97Å; K107-K135 HydrophobicContact CB-CB 3.91Å; K107-K135 HydrophobicContact CG-CB 4.32Å; K107-G136 CarbonylContact C-O 3.52Å; K107-G136 VanDerWaalsContact CA-O 3.32Å; K107-G136 WeakPolarHBondContact CA-O 3.31Å; K107-T138 HydrophobicContact CD-CG2 4.04Å; K107-T138 HydrophobicContact CG-CG2 3.93Å
108	V	96	Very high	94.6	Very high	1 Å²	1	50 Å²	50	1%	0.006	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-73.5	123.4	-172.2	-179	0	0	0	0	111.3	P103 T112 V113 L132 G136 L137 T138	P103-V108 HydrophobicContact CB-CG2 3.51Å; P103-V108 HydrophobicContact CG-CG2 3.81Å; V108-T112 HydrophobicContact CG1-CG2 4.1Å; V108-V113 HydrophobicContact CG1-CG2 3.89Å; V108-L132 HydrophobicContact CB-CD2 4.33Å; V108-L132 HydrophobicContact CG2-CD2 3.7Å; V108-G136 PolarHBondContact N-O 2.93Å; V108-L137 HydrophobicContact CB-CD2 3.84Å; V108-L137 HydrophobicContact CG1-CD2 3.9Å; V108-T138 WeakPolarHBondContact O-CG2 3.41Å; V108-T138 PolarHBondContact O-N 3.22Å; V108-T138 PolarHBondContact O-OG1 3.36Å
109	N	94.7	Very high	94.5	Very high	47 Å²	47	53.3 Å²	53.3	25%	0.251	25%	0.253	S	S	.	.			trans	-93.7	171.6	179.3	69.5	41.8	0	0	0	112.8	E105 K107 K111 T112 V113	E105-N109 VanDerWaalsContact CD-ND2 3.32Å; E105-N109 PolarHBondContact OE1-ND2 3.29Å; E105-N109 VanDerWaalsContact OE2-CG 3.29Å; E105-N109 PolarHBondContact OE2-N 3.2Å; E105-N109 PolarHBondContact OE2-ND2 3.48Å; K107-N109 PolarHBondContact O-N 2.97Å; N109-K111 VanDerWaalsContact C-N 3.28Å; N109-K111 PolarHBondContact O-N 3.37Å; N109-K111 WeakPolarHBondContact OD1-CA 3.34Å; N109-K111 VanDerWaalsContact OD1-CB 3.28Å; N109-K111 WeakPolarHBondContact OD1-CB 3.49Å; N109-K111 PolarHBondContact OD1-N 3.48Å; N109-T112 PolarHBondContact O-N 3.21Å; N109-T112 PolarHBondContact OD1-N 3.35Å; N109-T112 PolarHBondContact OD1-OG1 3.4Å; N109-T112 VanDerWaalsContact OD1-OG1 3.04Å; N109-V113 PolarHBondContact O-N 2.94Å
110	M	92.1	Very high	94.4	Very high	44 Å²	44	52.6 Å²	52.6	22%	0.217	25%	0.25	C	S	.	.	H	α-helix	trans	-61.1	-34.3	178.6	-174.2	61.9	71.4	0	0	113.5	V113 R114 S140 A144	M110-V113 PolarHBondContact O-N 2.76Å; M110-R114 HydrophobicContact CG-CG 4.38Å; M110-R114 WeakPolarHBondContact O-CB 3.32Å; M110-R114 WeakPolarHBondContact O-CG 3.35Å; M110-R114 PolarHBondContact O-N 2.91Å; M110-R114 HydrophobicContact SD-CG 4.44Å; M110-S140 VanDerWaalsContact CE-C 3.45Å; M110-S140 WeakPolarHBondContact CE-O 3.43Å; M110-A144 HydrophobicContact CE-CB 3.23Å; M110-A144 HydrophobicContact SD-CB 3.43Å; M110-A144 WeakPolarHBondContact SD-CB 3.35Å
111	K	94.2	Very high	94.2	Very high	170 Å²	170	58 Å²	58	74%	0.739	28%	0.276	S	S	*	.	H	α-helix	trans	-65.4	-44.1	-177	-177.4	-174.2	176.1	-173	0	110	N109 R114 A115	N109-K111 VanDerWaalsContact C-N 3.28Å; N109-K111 PolarHBondContact O-N 3.37Å; N109-K111 WeakPolarHBondContact OD1-CA 3.34Å; N109-K111 VanDerWaalsContact OD1-CB 3.28Å; N109-K111 WeakPolarHBondContact OD1-CB 3.49Å; N109-K111 PolarHBondContact OD1-N 3.48Å; K111-R114 PolarHBondContact O-N 2.99Å; K111-A115 PolarHBondContact O-N 2.91Å
112	T	94.8	Very high	94	Very high	21 Å²	21	65.5 Å²	65.5	13%	0.129	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-47	177	-54.2	0	0	0	0	111.2	E105 V108 N109 R114 A115 Y116	E105-T112 VanDerWaalsContact CD-OG1 3.31Å; E105-T112 PolarHBondContact OE1-OG1 2.89Å; E105-T112 PolarHBondContact OE2-OG1 3.46Å; V108-T112 HydrophobicContact CG1-CG2 4.1Å; N109-T112 PolarHBondContact O-N 3.21Å; N109-T112 PolarHBondContact OD1-N 3.35Å; N109-T112 PolarHBondContact OD1-OG1 3.4Å; N109-T112 VanDerWaalsContact OD1-OG1 3.04Å; T112-R114 PolarHBondContact O-N 3.46Å; T112-A115 WeakPolarHBondContact O-CB 3.33Å; T112-A115 PolarHBondContact O-N 3.49Å; T112-Y116 HydrophobicContact CG2-CD2 4.28Å; T112-Y116 HydrophobicContact CG2-CE2 3.49Å; T112-Y116 VanDerWaalsContact CG2-CE2 3.49Å; T112-Y116 WeakPolarHBondContact O-CD2 3.45Å; T112-Y116 PolarHBondContact O-N 3.13Å; T112-Y116 VanDerWaalsContact O-N 3.12Å
113	V	94.3	Very high	93.8	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-60.1	-43.7	175.8	177.7	0	0	0	0	111.7	V108 N109 M110 A115 Y116 L117 L137 A141 I145	V108-V113 HydrophobicContact CG1-CG2 3.89Å; N109-V113 PolarHBondContact O-N 2.94Å; M110-V113 PolarHBondContact O-N 2.76Å; V113-A115 VanDerWaalsContact C-N 3.34Å; V113-A115 PolarHBondContact O-N 2.97Å; V113-Y116 PolarHBondContact O-N 3.24Å; V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 HydrophobicContact CG1-CG 4.46Å; V113-L117 VanDerWaalsContact O-CG 3.31Å; V113-L117 WeakPolarHBondContact O-CG 3.5Å; V113-L117 PolarHBondContact O-N 3.24Å; V113-L137 HydrophobicContact CG2-CD2 4.22Å; V113-A141 HydrophobicContact CG2-CB 4.21Å; V113-I145 HydrophobicContact CG1-CD1 4.49Å; V113-I145 HydrophobicContact CG1-CG1 4.06Å; V113-I145 HydrophobicContact CG2-CD1 4.34Å
114	R	93.2	Very high	93.6	Very high	155 Å²	155	71.7 Å²	71.7	59%	0.585	35%	0.35	S	S	*	.	H	α-helix	trans	-64.1	-37	176.8	-74.1	179.1	-177.6	-176.2	0.2	112.8	M110 K111 T112 L117 N118	M110-R114 HydrophobicContact CG-CG 4.38Å; M110-R114 WeakPolarHBondContact O-CB 3.32Å; M110-R114 WeakPolarHBondContact O-CG 3.35Å; M110-R114 PolarHBondContact O-N 2.91Å; M110-R114 HydrophobicContact SD-CG 4.44Å; K111-R114 PolarHBondContact O-N 2.99Å; T112-R114 PolarHBondContact O-N 3.46Å; R114-L117 PolarHBondContact O-N 3.44Å; R114-N118 VanDerWaalsContact O-CG 3.22Å; R114-N118 PolarHBondContact O-N 3.24Å; R114-N118 PolarHBondContact O-ND2 3.05Å
115	A	94.6	Very high	93.6	Very high	55 Å²	55	67.7 Å²	67.7	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-46.3	176	0	0	0	0	0	111.1	K111 T112 V113 L117 N118 Q119	K111-A115 PolarHBondContact O-N 2.91Å; T112-A115 WeakPolarHBondContact O-CB 3.33Å; T112-A115 PolarHBondContact O-N 3.49Å; V113-A115 VanDerWaalsContact C-N 3.34Å; V113-A115 PolarHBondContact O-N 2.97Å; A115-L117 PolarHBondContact O-N 3.4Å; A115-N118 PolarHBondContact O-N 3.16Å; A115-Q119 PolarHBondContact O-N 3.5Å; A115-Q119 VanDerWaalsContact O-N 3.1Å
116	Y	94.6	Very high	93.6	Very high	41 Å²	41	69.9 Å²	69.9	16%	0.161	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-40.9	175.7	-60.4	-36.7	0	0	0	112.7	F101 P103 T112 V113 N118 Q119 M120 L130	F101-Y116 HydrophobicContact CB-CD2 4.3Å; F101-Y116 HydrophobicContact CB-CE1 4.43Å; F101-Y116 HydrophobicContact CB-CE2 4.17Å; F101-Y116 HydrophobicContact CB-CG 4.49Å; F101-Y116 AromaticContact CD1-CD1 3.46Å; F101-Y116 HydrophobicContact CD1-CD1 3.46Å; F101-Y116 VanDerWaalsContact CD1-CD1 3.46Å; F101-Y116 AromaticContact CD1-CE1 3.73Å; F101-Y116 HydrophobicContact CD1-CE1 3.73Å; F101-Y116 AromaticContact CD1-CG 3.92Å; F101-Y116 HydrophobicContact CD1-CG 3.92Å; F101-Y116 HydrophobicContact CD2-CD1 4.5Å; F101-Y116 HydrophobicContact CD2-CD2 4.45Å; F101-Y116 HydrophobicContact CD2-CG 4.14Å; F101-Y116 AromaticContact CE1-CD1 3.65Å; F101-Y116 HydrophobicContact CE1-CD1 3.65Å; F101-Y116 HydrophobicContact CE1-CE1 4.3Å; F101-Y116 HydrophobicContact CE1-CG 4.14Å; F101-Y116 HydrophobicContact CE2-CG 4.32Å; F101-Y116 AromaticContact CG-CD1 3.94Å; F101-Y116 HydrophobicContact CG-CD1 3.94Å; F101-Y116 HydrophobicContact CG-CD2 4.19Å; F101-Y116 HydrophobicContact CG-CE1 4.23Å; F101-Y116 HydrophobicContact CG-CE2 4.46Å; F101-Y116 AromaticContact CG-CG 3.93Å; F101-Y116 HydrophobicContact CG-CG 3.93Å; F101-Y116 HydrophobicContact CZ-CD1 4.25Å; F101-Y116 HydrophobicContact CZ-CG 4.34Å; P103-Y116 WeakPolarHBondContact CA-OH 3.49Å; P103-Y116 HydrophobicContact CB-CE2 4.43Å; P103-Y116 HydrophobicContact CG-CE2 4Å; T112-Y116 HydrophobicContact CG2-CD2 4.28Å; T112-Y116 HydrophobicContact CG2-CE2 3.49Å; T112-Y116 VanDerWaalsContact CG2-CE2 3.49Å; T112-Y116 WeakPolarHBondContact O-CD2 3.45Å; T112-Y116 PolarHBondContact O-N 3.13Å; T112-Y116 VanDerWaalsContact O-N 3.12Å; V113-Y116 PolarHBondContact O-N 3.24Å; Y116-N118 VanDerWaalsContact C-N 3.33Å; Y116-N118 PolarHBondContact O-N 3.35Å; Y116-Q119 WeakPolarHBondContact O-CB 3.34Å; Y116-Q119 PolarHBondContact O-N 3.37Å; Y116-M120 VanDerWaalsContact O-CG 3.28Å; Y116-M120 WeakPolarHBondContact O-CG 3.37Å; Y116-M120 PolarHBondContact O-N 3.41Å; Y116-L130 HydrophobicContact CD2-CD2 4.45Å
117	L	93.6	Very high	93.8	Very high	14 Å²	14	67.7 Å²	67.7	7%	0.073	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-39.4	176.5	-73.4	166.5	0	0	0	112.9	V113 R114 A115 Q119 M120 Q121 L148 Y152 L154	V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 HydrophobicContact CG1-CG 4.46Å; V113-L117 VanDerWaalsContact O-CG 3.31Å; V113-L117 WeakPolarHBondContact O-CG 3.5Å; V113-L117 PolarHBondContact O-N 3.24Å; R114-L117 PolarHBondContact O-N 3.44Å; A115-L117 PolarHBondContact O-N 3.4Å; L117-Q119 VanDerWaalsContact C-N 3.32Å; L117-M120 HydrophobicContact CD2-SD 4.44Å; L117-M120 PolarHBondContact O-N 3.23Å; L117-Q121 VanDerWaalsContact O-CB 3.27Å; L117-Q121 WeakPolarHBondContact O-CB 3.29Å; L117-Q121 PolarHBondContact O-N 3.16Å; L117-L148 HydrophobicContact CD1-CD1 3.3Å; L117-Y152 HydrophobicContact CD2-CD1 4.25Å; L117-Y152 HydrophobicContact CD2-CD2 3.75Å; L117-Y152 HydrophobicContact CD2-CE2 4.06Å; L117-Y152 HydrophobicContact CD2-CG 3.84Å; L117-L154 HydrophobicContact CD2-CD1 4.14Å
118	N	94.4	Very high	93.8	Very high	106 Å²	106	62.7 Å²	62.7	57%	0.567	30%	0.303	S	S	*	.	H	α-helix	trans	-64.1	-41.4	175.8	-70.8	-19.1	0	0	0	111	R114 A115 Y116 Q121 Q122	R114-N118 VanDerWaalsContact O-CG 3.22Å; R114-N118 PolarHBondContact O-N 3.24Å; R114-N118 PolarHBondContact O-ND2 3.05Å; A115-N118 PolarHBondContact O-N 3.16Å; Y116-N118 VanDerWaalsContact C-N 3.33Å; Y116-N118 PolarHBondContact O-N 3.35Å; N118-Q121 PolarHBondContact O-N 3.41Å; N118-Q122 PolarHBondContact O-N 3.27Å
119	Q	93.9	Very high	93.9	Very high	68 Å²	68	62.6 Å²	62.6	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-62.8	-48.7	175.1	-174.3	175.9	-9.9	0	0	111.2	A115 Y116 L117 Q121 Q122 D123	A115-Q119 PolarHBondContact O-N 3.5Å; A115-Q119 VanDerWaalsContact O-N 3.1Å; Y116-Q119 WeakPolarHBondContact O-CB 3.34Å; Y116-Q119 PolarHBondContact O-N 3.37Å; L117-Q119 VanDerWaalsContact C-N 3.32Å; Q119-Q121 VanDerWaalsContact C-N 3.28Å; Q119-Q121 PolarHBondContact O-N 3.18Å; Q119-Q122 WeakPolarHBondContact O-CB 2.88Å; Q119-Q122 PolarHBondContact O-N 2.94Å; Q119-Q122 VanDerWaalsContact O-N 3.15Å; Q119-D123 PolarHBondContact O-N 3.32Å
120	M	94	Very high	94	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-40.1	175.6	-70.1	172.9	65.9	0	0	112.4	Y99 F101 Y116 L117 Q122 D123 S124 T125 A128 Y152 L154	Y99-M120 HydrophobicContact CD2-CG 4.19Å; Y99-M120 HydrophobicContact CG-CG 4.42Å; F101-M120 HydrophobicContact CE2-CG 3.87Å; F101-M120 HydrophobicContact CE2-SD 3.9Å; F101-M120 HydrophobicContact CZ-CG 3.97Å; Y116-M120 VanDerWaalsContact O-CG 3.28Å; Y116-M120 WeakPolarHBondContact O-CG 3.37Å; Y116-M120 PolarHBondContact O-N 3.41Å; L117-M120 HydrophobicContact CD2-SD 4.44Å; L117-M120 PolarHBondContact O-N 3.23Å; M120-Q122 VanDerWaalsContact C-N 3.33Å; M120-D123 PolarHBondContact O-N 3.17Å; M120-S124 PolarHBondContact O-N 3.14Å; M120-S124 VanDerWaalsContact O-N 3.08Å; M120-T125 PolarHBondContact O-N 3.13Å; M120-A128 HydrophobicContact CE-CB 3.67Å; M120-A128 HydrophobicContact SD-CB 3.55Å; M120-A128 VanDerWaalsContact SD-CB 3.55Å; M120-Y152 HydrophobicContact CE-CD1 4.08Å; M120-L154 HydrophobicContact CE-CD2 4.12Å; M120-L154 HydrophobicContact SD-CD2 3.98Å
121	Q	93.2	Very high	94.2	Very high	114 Å²	114	58.5 Å²	58.5	53%	0.533	28%	0.282	S	S	.	.	H	α-helix	trans	-66.2	-36.2	178.7	-179.7	173.6	-25.8	0	0	112.1	L117 N118 Q119 D123 S124	L117-Q121 VanDerWaalsContact O-CB 3.27Å; L117-Q121 WeakPolarHBondContact O-CB 3.29Å; L117-Q121 PolarHBondContact O-N 3.16Å; N118-Q121 PolarHBondContact O-N 3.41Å; Q119-Q121 VanDerWaalsContact C-N 3.28Å; Q119-Q121 PolarHBondContact O-N 3.18Å; Q121-D123 VanDerWaalsContact C-N 3.27Å; Q121-D123 PolarHBondContact O-N 3.27Å; Q121-S124 PolarHBondContact O-N 3.43Å
122	Q	93.8	Very high	94.3	Very high	162 Å²	162	50.6 Å²	50.6	76%	0.757	25%	0.247	S	C	*	.	H	α-helix	trans	-62.5	-38.3	176.8	-174.6	168.5	8.9	0	0	111.5	N118 Q119 M120 S124	N118-Q122 PolarHBondContact O-N 3.27Å; Q119-Q122 WeakPolarHBondContact O-CB 2.88Å; Q119-Q122 PolarHBondContact O-N 2.94Å; Q119-Q122 VanDerWaalsContact O-N 3.15Å; M120-Q122 VanDerWaalsContact C-N 3.33Å; Q122-S124 VanDerWaalsContact C-N 3.33Å
123	D	91.6	Very high	94.4	Very high	64 Å²	64	50.5 Å²	50.5	34%	0.342	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	4.1	179.8	-58.6	-26.8	0	0	0	113.2	M97 Y99 Q119 M120 Q121 T125	M97-D123 WeakPolarHBondContact CE-O 3.44Å; Y99-D123 HydrophobicContact CE2-CB 4.3Å; Y99-D123 PolarHBondContact OH-OD2 2.65Å; Q119-D123 PolarHBondContact O-N 3.32Å; M120-D123 PolarHBondContact O-N 3.17Å; Q121-D123 VanDerWaalsContact C-N 3.27Å; Q121-D123 PolarHBondContact O-N 3.27Å; D123-T125 PolarHBondContact O-N 3.09Å
124	S	91.2	Very high	94.3	Very high	75 Å²	75	58.2 Å²	58.2	52%	0.524	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	32.5	-177.1	-56.1	0	0	0	0	114.3	M120 Q121 Q122 Y126	M120-S124 PolarHBondContact O-N 3.14Å; M120-S124 VanDerWaalsContact O-N 3.08Å; Q121-S124 PolarHBondContact O-N 3.43Å; Q122-S124 VanDerWaalsContact C-N 3.33Å; S124-Y126 VanDerWaalsContact O-CE2 3.25Å; S124-Y126 WeakPolarHBondContact O-CE2 3.06Å
125	T	92.1	Very high	94.3	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	28%	0.281	C	S	.	.			trans	-95.8	139.6	178.5	-57.2	0	0	0	0	112	M97 Y99 M120 D123 R127	M97-T125 HydrophobicContact CB-CG2 3.85Å; M97-T125 WeakPolarHBondContact CE-OG1 3.36Å; M97-T125 WeakPolarHBondContact O-CG2 3.46Å; Y99-T125 HydrophobicContact CD2-CG2 3.79Å; Y99-T125 HydrophobicContact CE2-CG2 4.45Å; M120-T125 PolarHBondContact O-N 3.13Å; D123-T125 PolarHBondContact O-N 3.09Å; T125-R127 WeakPolarHBondContact CG2-O 3.3Å
126	Y	92.5	Very high	94.3	Very high	118 Å²	118	54.8 Å²	54.8	46%	0.463	26%	0.261	S	S	.	.			trans	-113.1	-6.4	-177.7	-57.5	-79.5	0	0	0	114.4	S124 K151 Y152 T153	S124-Y126 VanDerWaalsContact O-CE2 3.25Å; S124-Y126 WeakPolarHBondContact O-CE2 3.06Å; Y126-K151 HydrophobicContact CD1-CG 4.37Å; Y126-K151 HydrophobicContact CE1-CG 4.47Å; Y126-Y152 HydrophobicContact CD1-CD1 4.21Å; Y126-Y152 HydrophobicContact CD1-CE1 4.04Å; Y126-Y152 CarbonylContact O-C 3.55Å; Y126-Y152 WeakPolarHBondContact O-CA 3.31Å; Y126-T153 PolarHBondContact O-N 3.5Å
127	R	94.9	Very high	94.4	Very high	55 Å²	55	54.5 Å²	54.5	21%	0.208	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.5	-178.3	-54.6	-176.9	73.5	168.4	-4.6	111.1	Y57 D96 L98 Y99 T125 T153	Y57-R127 PolarHBondContact OH-NE 3.29Å; Y57-R127 PolarHBondContact OH-NH1 2.94Å; D96-R127 WeakPolarHBondContact OD1-CD 3.45Å; D96-R127 IonicContact OD2-NH1 2.83Å; D96-R127 PolarHBondContact OD2-NH1 3.01Å; L98-R127 HydrophobicContact CD1-CB 3.8Å; Y99-R127 PolarHBondContact N-O 3Å; Y99-R127 VanDerWaalsContact N-O 3.1Å; T125-R127 WeakPolarHBondContact CG2-O 3.3Å; R127-T153 WeakPolarHBondContact CA-O 3.42Å
128	A	96.9	Very high	94.5	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	149.7	169.1	0	0	0	0	0	112.8	Y99 F101 M120 T153 L154 E155	Y99-A128 CarbonylContact O-C 3.57Å; Y99-A128 WeakPolarHBondContact O-CA 3.42Å; F101-A128 HydrophobicContact CD2-CB 3.97Å; F101-A128 HydrophobicContact CE2-CB 3.83Å; M120-A128 HydrophobicContact CE-CB 3.67Å; M120-A128 HydrophobicContact SD-CB 3.55Å; M120-A128 VanDerWaalsContact SD-CB 3.55Å; A128-T153 PolarHBondContact N-O 3.03Å; A128-L154 HydrophobicContact CB-CD2 3.77Å; A128-L154 WeakPolarHBondContact O-CA 3.43Å; A128-E155 PolarHBondContact O-N 3.22Å
129	I	97.4	Very high	94.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.1	167.2	-70.4	165.4	0	0	0	108.2	M51 L98 Y99 V100 F101 V131 E155 F157	M51-I129 HydrophobicContact CE-CD1 3.78Å; L98-I129 HydrophobicContact CD1-CD1 4.33Å; L98-I129 HydrophobicContact CD1-CG1 4.2Å; L98-I129 HydrophobicContact CD2-CD1 3.96Å; Y99-I129 PolarHBondContact O-N 2.96Å; V100-I129 WeakPolarHBondContact CA-O 3.32Å; V100-I129 HydrophobicContact CG1-CB 4.39Å; V100-I129 HydrophobicContact CG1-CG2 4.27Å; V100-I129 HydrophobicContact CG2-CB 4.36Å; F101-I129 PolarHBondContact N-O 2.79Å; I129-V131 HydrophobicContact CG2-CG2 4.29Å; I129-E155 CarbonylContact C-O 3.46Å; I129-E155 WeakPolarHBondContact CA-O 3.37Å; I129-E155 HydrophobicContact CG1-CB 4.08Å; I129-F157 HydrophobicContact CG2-CD2 3.83Å; I129-F157 HydrophobicContact CG2-CE2 4.41Å
130	L	96.7	Very high	94.6	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.7	169.4	-80.6	77.8	0	0	0	109.2	Y116 L132 L154 E155 C156 F157	Y116-L130 HydrophobicContact CD2-CD2 4.45Å; L130-L132 HydrophobicContact CB-CD2 4.15Å; L130-L132 HydrophobicContact CD2-CD2 4.47Å; L130-L132 PolarHBondContact O-N 2.83Å; L130-L154 HydrophobicContact CD1-CD2 4.15Å; L130-E155 PolarHBondContact N-O 2.74Å; L130-C156 WeakPolarHBondContact O-CA 3.25Å; L130-F157 PolarHBondContact O-N 2.92Å
131	V	97.3	Very high	94.6	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	97.1	175.5	-177.3	0	0	0	0	109	I44 I48 V100 F101 F102 P103 I129 F157 E159 L162	I44-V131 HydrophobicContact CG2-CG1 4Å; I48-V131 HydrophobicContact CD1-CG2 3.45Å; I48-V131 VanDerWaalsContact CD1-CG2 3.45Å; V100-V131 HydrophobicContact CG1-CG2 3.98Å; F101-V131 PolarHBondContact O-N 3.03Å; F102-V131 HydrophobicContact CD1-CB 3.89Å; F102-V131 HydrophobicContact CD1-CG1 3.95Å; F102-V131 HydrophobicContact CD1-CG2 4.2Å; F102-V131 HydrophobicContact CE1-CB 4.04Å; F102-V131 HydrophobicContact CE1-CG1 3.92Å; F102-V131 HydrophobicContact CE1-CG2 3.93Å; F102-V131 HydrophobicContact CE2-CG2 4.33Å; F102-V131 HydrophobicContact CG-CB 4.32Å; F102-V131 HydrophobicContact CZ-CG2 4.01Å; P103-V131 WeakPolarHBondContact CD-O 3.48Å; I129-V131 HydrophobicContact CG2-CG2 4.29Å; V131-F157 CarbonylContact C-O 3.51Å; V131-E159 HydrophobicContact CG1-CG 3.88Å; V131-L162 HydrophobicContact CG1-CD1 4.08Å; V131-L162 HydrophobicContact CG2-CD1 4.1Å
132	L	96.4	Very high	94.6	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	141.7	-173.7	-55.4	176.1	0	0	0	112	P103 V108 L130 L137 C156 F157 F158 E159	P103-L132 HydrophobicContact CG-CD2 4.45Å; V108-L132 HydrophobicContact CB-CD2 4.33Å; V108-L132 HydrophobicContact CG2-CD2 3.7Å; L130-L132 HydrophobicContact CB-CD2 4.15Å; L130-L132 HydrophobicContact CD2-CD2 4.47Å; L130-L132 PolarHBondContact O-N 2.83Å; L132-L137 HydrophobicContact CD1-CD1 3.86Å; L132-L137 HydrophobicContact CD1-CG 3.79Å; L132-L137 HydrophobicContact CD2-CD2 4.39Å; L132-L137 HydrophobicContact CD2-CG 4.2Å; L132-C156 HydrophobicContact CD1-CB 3.83Å; L132-F157 PolarHBondContact N-O 2.93Å; L132-F158 HydrophobicContact CB-CD1 4.29Å; L132-F158 HydrophobicContact CB-CE1 4.49Å; L132-F158 CarbonylContact O-C 3.57Å; L132-F158 VanDerWaalsContact O-CA 3.31Å; L132-F158 WeakPolarHBondContact O-CA 3.41Å; L132-E159 PolarHBondContact O-N 3.42Å
133	Q	95.3	Very high	94.6	Very high	20 Å²	20	52.6 Å²	52.6	9%	0.093	27%	0.272	C	S	.	.			trans	-73.9	178.1	167	-64.7	176.8	48.9	0	0	111.3	R81 P103 E104 K135 G136 F158 E159	R81-Q133 VanDerWaalsContact CZ-CD 3.42Å; P103-Q133 PolarHBondContact O-NE2 3.2Å; P103-Q133 VanDerWaalsContact O-NE2 3.15Å; E104-Q133 PolarHBondContact O-NE2 3.49Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 2.93Å; Q133-G136 PolarHBondContact O-N 2.99Å; Q133-F158 WeakPolarHBondContact O-CD1 3.34Å; Q133-E159 WeakPolarHBondContact CG-OE1 3.46Å
134	E	92.9	Very high	94.6	Very high	165 Å²	165	50.1 Å²	50.1	77%	0.771	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-37.3	-170.3	-169.9	174.6	-172.5	0	0	114.4	G136	E134-G136 VanDerWaalsContact C-N 3.26Å; E134-G136 PolarHBondContact O-N 3.45Å
135	K	94	Very high	94.8	Very high	134 Å²	134	47.5 Å²	47.5	58%	0.583	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-11.9	179.8	-64.2	-179	-179.5	162.1	0	113.7	E106 K107 Q133	E106-K135 HydrophobicContact CB-CB 4.44Å; E106-K135 HydrophobicContact CB-CD 4.06Å; E106-K135 HydrophobicContact CB-CG 4.46Å; E106-K135 WeakPolarHBondContact O-CB 3.26Å; E106-K135 WeakPolarHBondContact OE2-CD 3.09Å; E106-K135 WeakPolarHBondContact OE2-CE 3.41Å; E106-K135 IonicContact OE2-NZ 3.03Å; E106-K135 PolarHBondContact OE2-NZ 2.93Å; K107-K135 HydrophobicContact CB-CB 3.91Å; K107-K135 HydrophobicContact CG-CB 4.32Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 2.93Å
136	G	94.4	Very high	94.7	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.031	26%	0.264	C	S	.	.			trans	63.2	-143.8	170.8	0	0	0	0	0	115.1	E106 K107 V108 Q133 E134	E106-G136 PolarHBondContact O-N 3.5Å; K107-G136 CarbonylContact C-O 3.52Å; K107-G136 VanDerWaalsContact CA-O 3.32Å; K107-G136 WeakPolarHBondContact CA-O 3.31Å; V108-G136 PolarHBondContact N-O 2.93Å; Q133-G136 PolarHBondContact O-N 2.99Å; E134-G136 VanDerWaalsContact C-N 3.26Å; E134-G136 PolarHBondContact O-N 3.45Å
137	L	95.4	Very high	94.7	Very high	36 Å²	36	51.3 Å²	51.3	19%	0.188	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-93.6	145.6	-178.1	-74.4	157.6	0	0	0	112.2	V108 V113 L132 A141 I145	V108-L137 HydrophobicContact CB-CD2 3.84Å; V108-L137 HydrophobicContact CG1-CD2 3.9Å; V113-L137 HydrophobicContact CG2-CD2 4.22Å; L132-L137 HydrophobicContact CD1-CD1 3.86Å; L132-L137 HydrophobicContact CD1-CG 3.79Å; L132-L137 HydrophobicContact CD2-CD2 4.39Å; L132-L137 HydrophobicContact CD2-CG 4.2Å; L137-A141 HydrophobicContact CD2-CB 3.87Å; L137-I145 HydrophobicContact CD1-CD1 3.59Å; L137-I145 HydrophobicContact CD2-CD1 3.8Å; L137-I145 HydrophobicContact CG-CD1 4.37Å
138	T	95.8	Very high	94.5	Very high	29 Å²	29	51.4 Å²	51.4	18%	0.178	28%	0.277	C	S	.	.			trans	-63.1	147.6	163.1	56.6	0	0	0	0	111.2	K107 V108 S140 A141 K142	K107-T138 HydrophobicContact CD-CG2 4.04Å; K107-T138 HydrophobicContact CG-CG2 3.93Å; V108-T138 WeakPolarHBondContact O-CG2 3.41Å; V108-T138 PolarHBondContact O-N 3.22Å; V108-T138 PolarHBondContact O-OG1 3.36Å; T138-S140 PolarHBondContact O-N 3.2Å; T138-A141 PolarHBondContact O-N 2.75Å; T138-A141 WeakPolarHBondContact OG1-CB 3.37Å; T138-A141 PolarHBondContact OG1-N 2.74Å; T138-K142 PolarHBondContact O-N 3Å
139	P	94.9	Very high	94.1	Very high	94 Å²	94	54.8 Å²	54.8	61%	0.61	30%	0.301	S	S	*	.	H	α-helix	trans	-53.3	-41.2	177.1	-28.1	35.5	0	0	0	112.9	K142 T143	P139-K142 PolarHBondContact O-N 3.42Å; P139-T143 PolarHBondContact O-N 3.19Å; P139-T143 PolarHBondContact O-OG1 3.5Å; P139-T143 VanDerWaalsContact O-OG1 3.13Å
140	S	94.9	Very high	93.6	Very high	79 Å²	79	60.5 Å²	60.5	55%	0.552	34%	0.339	S	S	*	.	H	α-helix	trans	-60.4	-47.3	175.6	-47.6	0	0	0	0	111.9	M110 T138 K142 T143 A144	M110-S140 VanDerWaalsContact CE-C 3.45Å; M110-S140 WeakPolarHBondContact CE-O 3.43Å; T138-S140 PolarHBondContact O-N 3.2Å; S140-K142 VanDerWaalsContact C-N 3.33Å; S140-K142 PolarHBondContact O-N 2.82Å; S140-T143 PolarHBondContact O-N 2.91Å; S140-A144 PolarHBondContact O-N 2.89Å
141	A	94.9	Very high	93.3	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-61.8	-40.7	177.5	0	0	0	0	0	111.9	V113 L137 T138 T143 A144 I145	V113-A141 HydrophobicContact CG2-CB 4.21Å; L137-A141 HydrophobicContact CD2-CB 3.87Å; T138-A141 PolarHBondContact O-N 2.75Å; T138-A141 WeakPolarHBondContact OG1-CB 3.37Å; T138-A141 PolarHBondContact OG1-N 2.74Å; A141-T143 VanDerWaalsContact C-N 3.34Å; A141-T143 PolarHBondContact O-N 2.85Å; A141-A144 PolarHBondContact O-N 3.35Å; A141-I145 WeakPolarHBondContact O-CG1 3.33Å; A141-I145 PolarHBondContact O-N 3.03Å
142	K	94	Very high	93.1	Very high	147 Å²	147	66 Å²	66	64%	0.639	36%	0.362	S	S	*	.	H	α-helix	trans	-60.4	-42.7	175.7	-170.6	176.8	-178.3	177.8	0	111.9	T138 P139 S140 I145 A146	T138-K142 PolarHBondContact O-N 3Å; P139-K142 PolarHBondContact O-N 3.42Å; S140-K142 VanDerWaalsContact C-N 3.33Å; S140-K142 PolarHBondContact O-N 2.82Å; K142-I145 PolarHBondContact O-N 3.45Å; K142-A146 PolarHBondContact O-N 3.44Å; K142-A146 VanDerWaalsContact O-N 3.09Å
143	T	93.7	Very high	92.9	Very high	76 Å²	76	66.9 Å²	66.9	47%	0.466	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-45.6	175.9	-56.6	0	0	0	0	111.7	P139 S140 A141 I145 A146 E147	P139-T143 PolarHBondContact O-N 3.19Å; P139-T143 PolarHBondContact O-OG1 3.5Å; P139-T143 VanDerWaalsContact O-OG1 3.13Å; S140-T143 PolarHBondContact O-N 2.91Å; A141-T143 VanDerWaalsContact C-N 3.34Å; A141-T143 PolarHBondContact O-N 2.85Å; T143-I145 PolarHBondContact O-N 3.21Å; T143-A146 WeakPolarHBondContact O-CB 3.49Å; T143-A146 PolarHBondContact O-N 3.06Å; T143-A146 VanDerWaalsContact O-N 3.14Å; T143-E147 WeakPolarHBondContact O-CG 3.47Å; T143-E147 PolarHBondContact O-N 3.12Å
144	A	91.8	Very high	92.9	Very high	11 Å²	11	67.2 Å²	67.2	9%	0.091	37%	0.37	C	S	.	.	H	α-helix	trans	-65.7	-37.3	178	0	0	0	0	0	113.2	M110 S140 A141 A146 E147 L148	M110-A144 HydrophobicContact CE-CB 3.23Å; M110-A144 HydrophobicContact SD-CB 3.43Å; M110-A144 WeakPolarHBondContact SD-CB 3.35Å; S140-A144 PolarHBondContact O-N 2.89Å; A141-A144 PolarHBondContact O-N 3.35Å; A144-A146 PolarHBondContact O-N 3.22Å; A144-E147 PolarHBondContact O-N 2.91Å; A144-L148 WeakPolarHBondContact O-CB 3.47Å; A144-L148 WeakPolarHBondContact O-CD1 3.23Å; A144-L148 WeakPolarHBondContact O-CG 3.41Å; A144-L148 PolarHBondContact O-N 3.45Å
145	I	93.8	Very high	93	Very high	20 Å²	20	60.7 Å²	60.7	10%	0.103	34%	0.34	C	S	.	.	H	α-helix	trans	-59.7	-41.2	174	-70.3	167.2	0	0	0	110.2	V113 L137 A141 K142 T143 L148 S149 L154	V113-I145 HydrophobicContact CG1-CD1 4.49Å; V113-I145 HydrophobicContact CG1-CG1 4.06Å; V113-I145 HydrophobicContact CG2-CD1 4.34Å; L137-I145 HydrophobicContact CD1-CD1 3.59Å; L137-I145 HydrophobicContact CD2-CD1 3.8Å; L137-I145 HydrophobicContact CG-CD1 4.37Å; A141-I145 WeakPolarHBondContact O-CG1 3.33Å; A141-I145 PolarHBondContact O-N 3.03Å; K142-I145 PolarHBondContact O-N 3.45Å; T143-I145 PolarHBondContact O-N 3.21Å; I145-L148 PolarHBondContact O-N 3.27Å; I145-S149 PolarHBondContact O-N 3.38Å; I145-S149 VanDerWaalsContact O-N 3.16Å; I145-L154 HydrophobicContact CG1-CD1 3.94Å; I145-L154 HydrophobicContact CG2-CB 3.98Å; I145-L154 HydrophobicContact CG2-CD1 4.21Å
146	A	91.7	Very high	93.1	Very high	63 Å²	63	56 Å²	56	52%	0.521	32%	0.323	S	S	.	.	H	α-helix	trans	-65.4	-42.4	176.5	0	0	0	0	0	112.4	K142 T143 A144 L148 S149	K142-A146 PolarHBondContact O-N 3.44Å; K142-A146 VanDerWaalsContact O-N 3.09Å; T143-A146 WeakPolarHBondContact O-CB 3.49Å; T143-A146 PolarHBondContact O-N 3.06Å; T143-A146 VanDerWaalsContact O-N 3.14Å; A144-A146 PolarHBondContact O-N 3.22Å; A146-L148 VanDerWaalsContact C-N 3.32Å; A146-L148 PolarHBondContact O-N 2.92Å; A146-S149 VanDerWaalsContact O-CB 3.3Å; A146-S149 WeakPolarHBondContact O-CB 3.28Å; A146-S149 PolarHBondContact O-N 2.78Å; A146-S149 PolarHBondContact O-OG 3.48Å
147	E	91.7	Very high	93.2	Very high	137 Å²	137	56.4 Å²	56.4	64%	0.64	32%	0.324	S	S	*	.	H	α-helix	trans	-63.7	-37.7	176.7	-71.7	171.6	-178	0	0	112.4	T143 A144 S149	T143-E147 WeakPolarHBondContact O-CG 3.47Å; T143-E147 PolarHBondContact O-N 3.12Å; A144-E147 PolarHBondContact O-N 2.91Å; E147-S149 VanDerWaalsContact C-N 3.29Å; E147-S149 PolarHBondContact O-N 3.38Å
148	L	90.5	Very high	93.3	Very high	57 Å²	57	58.4 Å²	58.4	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-81.5	-6.9	-178.9	-67.1	171	0	0	0	113.9	L117 A144 I145 A146 C150 K151 Y152	L117-L148 HydrophobicContact CD1-CD1 3.3Å; A144-L148 WeakPolarHBondContact O-CB 3.47Å; A144-L148 WeakPolarHBondContact O-CD1 3.23Å; A144-L148 WeakPolarHBondContact O-CG 3.41Å; A144-L148 PolarHBondContact O-N 3.45Å; I145-L148 PolarHBondContact O-N 3.27Å; A146-L148 VanDerWaalsContact C-N 3.32Å; A146-L148 PolarHBondContact O-N 2.92Å; L148-C150 PolarHBondContact O-N 3.4Å; L148-K151 PolarHBondContact O-N 3.15Å; L148-Y152 HydrophobicContact CB-CD2 4.47Å; L148-Y152 PolarHBondContact O-N 2.71Å
149	S	88.1	Confident	93.3	Very high	72 Å²	72	57.3 Å²	57.3	50%	0.503	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.4	-178.1	68.5	0	0	0	0	114.2	I145 A146 E147 K151 Y152	I145-S149 PolarHBondContact O-N 3.38Å; I145-S149 VanDerWaalsContact O-N 3.16Å; A146-S149 VanDerWaalsContact O-CB 3.3Å; A146-S149 WeakPolarHBondContact O-CB 3.28Å; A146-S149 PolarHBondContact O-N 2.78Å; A146-S149 PolarHBondContact O-OG 3.48Å; E147-S149 VanDerWaalsContact C-N 3.29Å; E147-S149 PolarHBondContact O-N 3.38Å; S149-K151 VanDerWaalsContact C-N 3.35Å; S149-Y152 WeakPolarHBondContact CA-O 3.49Å
150	C	87.2	Confident	93.2	Very high	119 Å²	119	57.4 Å²	57.4	80%	0.804	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-28.9	174.3	63.2	0	0	0	0	113.4	L148	L148-C150 PolarHBondContact O-N 3.4Å
151	K	90.8	Very high	93.2	Very high	106 Å²	106	57.4 Å²	57.4	46%	0.461	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-39.3	-177.5	-175.3	178.6	177.3	-170.2	0	112.2	Y126 L148 S149	Y126-K151 HydrophobicContact CD1-CG 4.37Å; Y126-K151 HydrophobicContact CE1-CG 4.47Å; L148-K151 PolarHBondContact O-N 3.15Å; S149-K151 VanDerWaalsContact C-N 3.35Å
152	Y	92.8	Very high	93.3	Very high	13 Å²	13	57.7 Å²	57.7	5%	0.051	31%	0.313	C	S	.	.			trans	-113.8	137.4	-175.5	-62.1	-74.8	0	0	0	110.9	L117 M120 Y126 L148 S149	L117-Y152 HydrophobicContact CD2-CD1 4.25Å; L117-Y152 HydrophobicContact CD2-CD2 3.75Å; L117-Y152 HydrophobicContact CD2-CE2 4.06Å; L117-Y152 HydrophobicContact CD2-CG 3.84Å; M120-Y152 HydrophobicContact CE-CD1 4.08Å; Y126-Y152 HydrophobicContact CD1-CD1 4.21Å; Y126-Y152 HydrophobicContact CD1-CE1 4.04Å; Y126-Y152 CarbonylContact O-C 3.55Å; Y126-Y152 WeakPolarHBondContact O-CA 3.31Å; L148-Y152 HydrophobicContact CB-CD2 4.47Å; L148-Y152 PolarHBondContact O-N 2.71Å; S149-Y152 WeakPolarHBondContact CA-O 3.49Å
153	T	93.5	Very high	93.3	Very high	23 Å²	23	53 Å²	53	14%	0.141	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	93.3	171.1	-52.6	0	0	0	0	108.5	Y126 R127 A128 E155 R213	Y126-T153 PolarHBondContact O-N 3.5Å; R127-T153 WeakPolarHBondContact CA-O 3.42Å; A128-T153 PolarHBondContact N-O 3.03Å; T153-E155 HydrophobicContact CG2-CG 4.39Å; T153-R213 VanDerWaalsContact CB-NH2 3.34Å; T153-R213 PolarHBondContact OG1-NH2 2.99Å
154	L	94.6	Very high	93.3	Very high	28 Å²	28	54 Å²	54	15%	0.147	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.7	174.6	-61.2	-178.8	0	0	0	109.8	L117 M120 A128 L130 I145	L117-L154 HydrophobicContact CD2-CD1 4.14Å; M120-L154 HydrophobicContact CE-CD2 4.12Å; M120-L154 HydrophobicContact SD-CD2 3.98Å; A128-L154 HydrophobicContact CB-CD2 3.77Å; A128-L154 WeakPolarHBondContact O-CA 3.43Å; L130-L154 HydrophobicContact CD1-CD2 4.15Å; I145-L154 HydrophobicContact CG1-CD1 3.94Å; I145-L154 HydrophobicContact CG2-CB 3.98Å; I145-L154 HydrophobicContact CG2-CD1 4.21Å
155	E	95	Very high	93.4	Very high	28 Å²	28	54.1 Å²	54.1	13%	0.131	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.2	174.1	-66.5	175.5	-138	0	0	109	R55 A128 I129 L130 T153 F157	R55-E155 IonicContact CZ-OE2 3.75Å; R55-E155 VanDerWaalsContact CZ-OE2 3.24Å; R55-E155 VanDerWaalsContact NH1-CD 3.29Å; R55-E155 IonicContact NH1-OE1 3.33Å; R55-E155 PolarHBondContact NH1-OE1 3.23Å; R55-E155 IonicContact NH1-OE2 3.68Å; R55-E155 PolarHBondContact NH1-OE2 2.95Å; R55-E155 IonicContact NH2-OE2 2.82Å; R55-E155 PolarHBondContact NH2-OE2 3.29Å; A128-E155 PolarHBondContact O-N 3.22Å; I129-E155 CarbonylContact C-O 3.46Å; I129-E155 WeakPolarHBondContact CA-O 3.37Å; I129-E155 HydrophobicContact CG1-CB 4.08Å; L130-E155 PolarHBondContact N-O 2.74Å; T153-E155 HydrophobicContact CG2-CG 4.39Å; E155-F157 HydrophobicContact CB-CE2 4.26Å
156	C	95.3	Very high	93.5	Very high	34 Å²	34	55.5 Å²	55.5	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.4	178.7	-62	0	0	0	0	108.6	L130 L132 R208	L130-C156 WeakPolarHBondContact O-CA 3.25Å; L132-C156 HydrophobicContact CD1-CB 3.83Å; C156-R208 PolarHBondContact O-NH2 3.48Å
157	F	97.2	Very high	93.6	Very high	12 Å²	12	54.2 Å²	54.2	5%	0.053	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.4	172.1	-74.2	-85.2	0	0	0	109.7	M51 I129 L130 V131 L132 E155 L162 R208	M51-F157 HydrophobicContact SD-CE2 4.24Å; M51-F157 HydrophobicContact SD-CZ 4.09Å; I129-F157 HydrophobicContact CG2-CD2 3.83Å; I129-F157 HydrophobicContact CG2-CE2 4.41Å; L130-F157 PolarHBondContact O-N 2.92Å; V131-F157 CarbonylContact C-O 3.51Å; L132-F157 PolarHBondContact N-O 2.93Å; E155-F157 HydrophobicContact CB-CE2 4.26Å; F157-L162 HydrophobicContact CB-CD1 3.62Å; F157-L162 HydrophobicContact CB-CD2 4.22Å; F157-L162 HydrophobicContact CB-CG 3.91Å; F157-L162 HydrophobicContact CD1-CD2 4.02Å; F157-L162 HydrophobicContact CD1-CG 4.49Å; F157-L162 HydrophobicContact CG-CD1 4.3Å; F157-L162 HydrophobicContact CG-CD2 4.13Å; F157-L162 HydrophobicContact CG-CG 4.37Å; F157-R208 HydrophobicContact CE1-CB 4.08Å; F157-R208 HydrophobicContact CZ-CB 4.18Å; F157-R208 WeakPolarHBondContact CZ-O 3.3Å
158	F	96.6	Very high	93.7	Very high	78 Å²	78	53.3 Å²	53.3	34%	0.342	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	145.7	170.2	-71.4	-83.8	0	0	0	110.5	L132 Q133 N160 E161 L162	L132-F158 HydrophobicContact CB-CD1 4.29Å; L132-F158 HydrophobicContact CB-CE1 4.49Å; L132-F158 CarbonylContact O-C 3.57Å; L132-F158 VanDerWaalsContact O-CA 3.31Å; L132-F158 WeakPolarHBondContact O-CA 3.41Å; Q133-F158 WeakPolarHBondContact O-CD1 3.34Å; F158-N160 PolarHBondContact O-N 2.82Å; F158-E161 HydrophobicContact CB-CB 4.5Å; F158-E161 HydrophobicContact CB-CG 4.04Å; F158-E161 PolarHBondContact N-OE2 3.33Å; F158-E161 VanDerWaalsContact N-OE2 3.08Å; F158-E161 WeakPolarHBondContact O-CB 3.42Å; F158-E161 PolarHBondContact O-N 3.35Å; F158-L162 PolarHBondContact O-N 2.91Å
159	E	95.6	Very high	93.9	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-50.6	-42.3	174.5	-74.7	-175.7	170.9	0	0	111.6	K40 I44 R81 V131 L132 Q133 E161 L162 M163	K40-E159 WeakPolarHBondContact CE-OE2 3.21Å; K40-E159 IonicContact NZ-OE2 2.84Å; K40-E159 PolarHBondContact NZ-OE2 2.69Å; I44-E159 HydrophobicContact CD1-CB 3.61Å; I44-E159 HydrophobicContact CD1-CG 3.85Å; R81-E159 IonicContact CZ-OE1 2.71Å; R81-E159 IonicContact NE-OE1 2.7Å; R81-E159 IonicContact NH2-OE1 3.49Å; R81-E159 PolarHBondContact NH2-OE1 3.14Å; V131-E159 HydrophobicContact CG1-CG 3.88Å; L132-E159 PolarHBondContact O-N 3.42Å; Q133-E159 WeakPolarHBondContact CG-OE1 3.46Å; E159-E161 VanDerWaalsContact C-N 3.31Å; E159-E161 PolarHBondContact O-N 2.82Å; E159-L162 PolarHBondContact O-N 2.84Å; E159-L162 VanDerWaalsContact O-N 3.12Å; E159-M163 WeakPolarHBondContact O-CG 3.44Å; E159-M163 PolarHBondContact O-N 2.98Å
160	N	94	Very high	94.1	Very high	96 Å²	96	61 Å²	61	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-66.7	-30.3	179.8	-63.2	-7.2	0	0	0	112.9	K40 F158 L162	K40-N160 PolarHBondContact NZ-OD1 3.47Å; F158-N160 PolarHBondContact O-N 2.82Å; N160-L162 VanDerWaalsContact C-N 3.28Å
161	E	94.6	Very high	94.4	Very high	78 Å²	78	62.1 Å²	62.1	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-68.9	-29.6	174.6	-67.8	175.4	157.5	0	0	111.4	F158 E159 R208	F158-E161 HydrophobicContact CB-CB 4.5Å; F158-E161 HydrophobicContact CB-CG 4.04Å; F158-E161 PolarHBondContact N-OE2 3.33Å; F158-E161 VanDerWaalsContact N-OE2 3.08Å; F158-E161 WeakPolarHBondContact O-CB 3.42Å; F158-E161 PolarHBondContact O-N 3.35Å; E159-E161 VanDerWaalsContact C-N 3.31Å; E159-E161 PolarHBondContact O-N 2.82Å; E161-R208 IonicContact OE1-CZ 2.64Å; E161-R208 IonicContact OE1-NH1 3.48Å; E161-R208 PolarHBondContact OE1-NH1 3.37Å; E161-R208 IonicContact OE1-NH2 3.6Å; E161-R208 IonicContact OE2-CZ 3.01Å; E161-R208 IonicContact OE2-NH1 3.97Å; E161-R208 PolarHBondContact OE2-NH1 2.95Å; E161-R208 IonicContact OE2-NH2 3.59Å; E161-R208 PolarHBondContact OE2-NH2 3.22Å
162	L	96.4	Very high	94.6	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-95.1	-4	-174.4	-64.6	174.5	0	0	0	114	I44 T47 I48 M51 V131 F157 F158 E159 N160 V164	I44-L162 HydrophobicContact CB-CB 4.42Å; I44-L162 HydrophobicContact CG1-CB 4.15Å; I44-L162 HydrophobicContact CG2-CB 3.9Å; I44-L162 HydrophobicContact CG2-CD1 3.99Å; T47-L162 WeakPolarHBondContact CB-O 3.43Å; T47-L162 HydrophobicContact CG2-CD2 4.33Å; T47-L162 WeakPolarHBondContact CG2-O 3.32Å; T47-L162 PolarHBondContact OG1-O 2.95Å; I48-L162 HydrophobicContact CD1-CD1 3.87Å; I48-L162 HydrophobicContact CG1-CD1 3.87Å; I48-L162 HydrophobicContact CG1-CD2 4.44Å; M51-L162 HydrophobicContact CE-CD2 4.47Å; V131-L162 HydrophobicContact CG1-CD1 4.08Å; V131-L162 HydrophobicContact CG2-CD1 4.1Å; F157-L162 HydrophobicContact CB-CD1 3.62Å; F157-L162 HydrophobicContact CB-CD2 4.22Å; F157-L162 HydrophobicContact CB-CG 3.91Å; F157-L162 HydrophobicContact CD1-CD2 4.02Å; F157-L162 HydrophobicContact CD1-CG 4.49Å; F157-L162 HydrophobicContact CG-CD1 4.3Å; F157-L162 HydrophobicContact CG-CD2 4.13Å; F157-L162 HydrophobicContact CG-CG 4.37Å; F158-L162 PolarHBondContact O-N 2.91Å; E159-L162 PolarHBondContact O-N 2.84Å; E159-L162 VanDerWaalsContact O-N 3.12Å; N160-L162 VanDerWaalsContact C-N 3.28Å; L162-V164 PolarHBondContact O-N 2.81Å
163	M	94.5	Very high	94.8	Very high	49 Å²	49	60.2 Å²	60.2	24%	0.241	31%	0.31	C	S	.	.	S	Bend	trans	-63.9	-25	176.2	-79.3	-60.5	-71.2	0	0	113.5	K40 R43 I44 E159	K40-M163 HydrophobicContact CB-CE 4.41Å; K40-M163 HydrophobicContact CB-SD 4.15Å; K40-M163 HydrophobicContact CG-CE 3.96Å; K40-M163 HydrophobicContact CG-CG 4.38Å; K40-M163 HydrophobicContact CG-SD 3.31Å; K40-M163 WeakPolarHBondContact CG-SD 3.48Å; R43-M163 HydrophobicContact CB-CE 4.38Å; R43-M163 HydrophobicContact CB-SD 4.24Å; I44-M163 HydrophobicContact CD1-SD 4.05Å; I44-M163 HydrophobicContact CG1-CG 4.36Å; I44-M163 HydrophobicContact CG1-SD 3.8Å; E159-M163 WeakPolarHBondContact O-CG 3.44Å; E159-M163 PolarHBondContact O-N 2.98Å
164	V	93.8	Very high	94.8	Very high	98 Å²	98	65.1 Å²	65.1	59%	0.594	33%	0.331	S	S	*	.	S	Bend	trans	-131.3	128.5	-179.8	-177.9	0	0	0	0	108.7	L162 I166	L162-V164 PolarHBondContact O-N 2.81Å; V164-I166 PolarHBondContact O-N 3.33Å
165	N	94.5	Very high	94.9	Very high	12 Å²	12	64.6 Å²	64.6	6%	0.064	33%	0.328	C	S	.	.			trans	-74.8	108.4	172	-170.3	1.7	0	0	0	110.3	T47 T167 E168 Y209	T47-N165 HydrophobicContact CG2-CB 4.11Å; N165-T167 PolarHBondContact ND2-OG1 3.1Å; N165-T167 PolarHBondContact O-N 2.95Å; N165-T167 PolarHBondContact OD1-N 3.25Å; N165-T167 PolarHBondContact OD1-OG1 3.08Å; N165-E168 HydrophobicContact CB-CG 4.26Å; N165-E168 PolarHBondContact ND2-OE1 2.86Å; N165-E168 PolarHBondContact O-N 3.17Å; N165-Y209 VanDerWaalsContact OD1-CE2 3.26Å; N165-Y209 WeakPolarHBondContact OD1-CE2 3.19Å
166	I	94.8	Very high	95	Very high	50 Å²	50	66.1 Å²	66.1	26%	0.256	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-64.1	-25.7	-178.7	61.6	172.2	0	0	0	113.1	V164 E168 H169 V172 P205 V206 Y209	V164-I166 PolarHBondContact O-N 3.33Å; I166-E168 PolarHBondContact O-N 3.31Å; I166-H169 VanDerWaalsContact O-CB 3.32Å; I166-H169 WeakPolarHBondContact O-CB 3.38Å; I166-H169 PolarHBondContact O-N 3.22Å; I166-V172 WeakPolarHBondContact O-CB 3.37Å; I166-V172 VanDerWaalsContact O-CG2 3.31Å; I166-V172 WeakPolarHBondContact O-CG2 3.4Å; I166-P205 VanDerWaalsContact CD1-C 3.47Å; I166-P205 HydrophobicContact CD1-CB 3.51Å; I166-P205 WeakPolarHBondContact CD1-O 3.45Å; I166-V206 HydrophobicContact CD1-CG2 4.1Å; I166-Y209 HydrophobicContact CG1-CD2 4.45Å
167	T	94.3	Very high	95	Very high	35 Å²	35	67.2 Å²	67.2	22%	0.215	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-73.8	-19.1	-178.2	62.2	0	0	0	0	112.8	N165 H169 Y209 Y210	N165-T167 PolarHBondContact ND2-OG1 3.1Å; N165-T167 PolarHBondContact O-N 2.95Å; N165-T167 PolarHBondContact OD1-N 3.25Å; N165-T167 PolarHBondContact OD1-OG1 3.08Å; T167-H169 VanDerWaalsContact C-N 3.3Å; T167-Y209 HydrophobicContact CG2-CD1 3.61Å; T167-Y209 HydrophobicContact CG2-CD2 4.19Å; T167-Y209 HydrophobicContact CG2-CE1 3.46Å; T167-Y209 VanDerWaalsContact CG2-CE1 3.46Å; T167-Y209 HydrophobicContact CG2-CE2 4.05Å; T167-Y209 HydrophobicContact CG2-CG 3.97Å; T167-Y210 HydrophobicContact CG2-CE2 4.44Å
168	E	93.6	Very high	94.9	Very high	119 Å²	119	67.7 Å²	67.7	56%	0.556	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-85.9	-5.2	176.6	-68.7	171.7	-154.9	0	0	112.4	K50 N165 I166	K50-E168 VanDerWaalsContact CD-OE1 3.23Å; K50-E168 WeakPolarHBondContact CD-OE1 3.31Å; K50-E168 WeakPolarHBondContact CE-OE1 3.38Å; K50-E168 IonicContact NZ-OE1 2.67Å; K50-E168 PolarHBondContact NZ-OE1 2.58Å; K50-E168 IonicContact NZ-OE2 3.35Å; K50-E168 PolarHBondContact NZ-OE2 3.2Å; N165-E168 HydrophobicContact CB-CG 4.26Å; N165-E168 PolarHBondContact ND2-OE1 2.86Å; N165-E168 PolarHBondContact O-N 3.17Å; I166-E168 PolarHBondContact O-N 3.31Å
169	H	95.1	Very high	94.9	Very high	100 Å²	100	67.6 Å²	67.6	46%	0.463	35%	0.351	S	S	.	.	S	Bend	trans	-74	134.7	-178.9	-170.9	-88.8	0	0	0	111.5	I166 T167 L171 V172	I166-H169 VanDerWaalsContact O-CB 3.32Å; I166-H169 WeakPolarHBondContact O-CB 3.38Å; I166-H169 PolarHBondContact O-N 3.22Å; T167-H169 VanDerWaalsContact C-N 3.3Å; H169-L171 WeakPolarHBondContact ND1-CB 3.49Å; H169-L171 PolarHBondContact ND1-N 2.8Å; H169-L171 VanDerWaalsContact ND1-N 3.12Å; H169-L171 PolarHBondContact O-N 3.28Å; H169-L171 VanDerWaalsContact O-N 3.11Å; H169-V172 HydrophobicContact CB-CB 4.4Å; H169-V172 HydrophobicContact CB-CG2 4.01Å; H169-V172 PolarHBondContact O-N 3.12Å
170	Q	93	Very high	94.8	Very high	190 Å²	190	75.7 Å²	75.7	89%	0.888	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-35.6	-176.4	-173.8	-177.4	12.5	0	0	114.1	V172	Q170-V172 VanDerWaalsContact C-N 3.31Å
171	L	93.3	Very high	95	Very high	142 Å²	142	78.7 Å²	78.7	74%	0.743	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-11.7	179	-58.8	-179.9	0	0	0	113.9	H169 P173	H169-L171 WeakPolarHBondContact ND1-CB 3.49Å; H169-L171 PolarHBondContact ND1-N 2.8Å; H169-L171 VanDerWaalsContact ND1-N 3.12Å; H169-L171 PolarHBondContact O-N 3.28Å; H169-L171 VanDerWaalsContact O-N 3.11Å; L171-P173 WeakPolarHBondContact O-CD 3.44Å
172	V	95	Very high	95.1	Very high	38 Å²	38	79.1 Å²	79.1	23%	0.23	40%	0.402	C	S	.	.	S	Bend	trans	-92.7	112.8	-179.6	178.4	0	0	0	0	108.3	I166 H169 Q170 V206	I166-V172 WeakPolarHBondContact O-CB 3.37Å; I166-V172 VanDerWaalsContact O-CG2 3.31Å; I166-V172 WeakPolarHBondContact O-CG2 3.4Å; H169-V172 HydrophobicContact CB-CB 4.4Å; H169-V172 HydrophobicContact CB-CG2 4.01Å; H169-V172 PolarHBondContact O-N 3.12Å; Q170-V172 VanDerWaalsContact C-N 3.31Å; V172-V206 HydrophobicContact CG1-CG2 4.09Å
173	P	95.7	Very high	95.1	Very high	42 Å²	42	80.5 Å²	80.5	27%	0.273	41%	0.408	S	S	.	.			trans	-70	166.8	178.4	29.3	-34.2	0	0	0	111.3	L171 H175 I220 T221 R222	L171-P173 WeakPolarHBondContact O-CD 3.44Å; P173-H175 PolarHBondContact O-CE1 2.92Å; P173-H175 PolarHBondContact O-N 3.39Å; P173-H175 PolarHBondContact O-ND1 3.24Å; P173-I220 HydrophobicContact CB-CG2 3.82Å; P173-I220 HydrophobicContact CG-CG2 3.49Å; P173-I220 VanDerWaalsContact CG-CG2 3.49Å; P173-T221 WeakPolarHBondContact CB-O 3.26Å; P173-R222 HydrophobicContact CB-CB 4.03Å
174	Q	94.9	Very high	95.2	Very high	126 Å²	126	84.2 Å²	84.2	59%	0.589	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	131	176.5	-169.2	179.9	8	0	0	110.5	I220 T221	Q174-I220 WeakPolarHBondContact O-CA 3.42Å; Q174-T221 PolarHBondContact N-O 3.29Å; Q174-T221 PolarHBondContact O-N 2.94Å
175	H	96.6	Very high	95.3	Very high	17 Å²	17	85.3 Å²	85.3	8%	0.079	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125	179	-69.5	77.1	0	0	0	109.3	P173 V206 Y210 V218 R219	P173-H175 PolarHBondContact O-CE1 2.92Å; P173-H175 PolarHBondContact O-N 3.39Å; P173-H175 PolarHBondContact O-ND1 3.24Å; H175-V206 HydrophobicContact CB-CG1 4.2Å; H175-Y210 HydrophobicContact CB-CD2 4.4Å; H175-Y210 HydrophobicContact CB-CE2 3.78Å; H175-Y210 PolarHBondContact O-OH 2.97Å; H175-V218 HydrophobicContact CB-CG2 3.76Å; H175-R219 WeakPolarHBondContact CA-O 3.18Å
176	N	95.7	Very high	95.4	Very high	60 Å²	60	85.3 Å²	85.3	32%	0.321	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.9	175.1	-64.3	4.4	0	0	0	108.5	V218 R219	N176-V218 WeakPolarHBondContact O-CG2 3.5Å; N176-R219 HydrophobicContact CB-CB 4.5Å; N176-R219 PolarHBondContact N-O 2.94Å; N176-R219 PolarHBondContact O-N 3.19Å
177	V	96	Very high	95.5	Very high	57 Å²	57	84.2 Å²	84.2	35%	0.345	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129	177.5	-169.2	0	0	0	0	108.7	Y210 L212	V177-Y210 HydrophobicContact CG2-CD1 3.95Å; V177-Y210 HydrophobicContact CG2-CG 4.11Å; V177-L212 HydrophobicContact CB-CD2 4.32Å; V177-L212 HydrophobicContact CG1-CD2 3.72Å; V177-L212 HydrophobicContact CG2-CD2 3.62Å
178	L	95.8	Very high	95.6	Very high	22 Å²	22	88.4 Å²	88.4	12%	0.115	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-84.9	140.4	177.4	-62.9	-174.3	0	0	0	110.9	E182 L186 V217 R219 Y233	L178-E182 WeakPolarHBondContact CA-OE2 3.5Å; L178-E182 HydrophobicContact CB-CB 4.13Å; L178-E182 HydrophobicContact CD2-CB 4.18Å; L178-L186 HydrophobicContact CD1-CD2 4Å; L178-V217 WeakPolarHBondContact CB-O 3.49Å; L178-V217 HydrophobicContact CD1-CB 4.34Å; L178-V217 HydrophobicContact CD1-CG1 3.89Å; L178-V217 PolarHBondContact N-O 3.11Å; L178-R219 HydrophobicContact CD2-CB 3.95Å; L178-R219 HydrophobicContact CG-CB 4.31Å; L178-Y233 HydrophobicContact CD1-CD1 3.96Å; L178-Y233 HydrophobicContact CD1-CE1 4.08Å
179	T	95.3	Very high	95.7	Very high	75 Å²	75	91.2 Å²	91.2	46%	0.46	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-65.5	165.8	166.6	62.7	0	0	0	0	111	E181 E182 K183	T179-E181 PolarHBondContact O-N 2.74Å; T179-E182 PolarHBondContact N-OE2 3.35Å; T179-E182 PolarHBondContact O-N 2.67Å; T179-E182 WeakPolarHBondContact OG1-CB 3.25Å; T179-E182 WeakPolarHBondContact OG1-CG 3.17Å; T179-E182 PolarHBondContact OG1-N 2.67Å; T179-E182 VanDerWaalsContact OG1-N 3.17Å; T179-E182 PolarHBondContact OG1-OE2 2.67Å; T179-K183 VanDerWaalsContact O-CB 3.29Å; T179-K183 WeakPolarHBondContact O-CB 3.03Å; T179-K183 PolarHBondContact O-N 3.09Å
180	Q	94.8	Very high	95.8	Very high	177 Å²	177	92.2 Å²	92.2	83%	0.827	44%	0.439	S	S	*	.	H	α-helix	trans	-62.2	-34.2	176.4	-64.3	-172.1	5.6	0	0	112	K184	Q180-K184 WeakPolarHBondContact O-CB 3.44Å; Q180-K184 PolarHBondContact O-N 2.8Å
181	E	96.7	Very high	95.9	Very high	160 Å²	160	94.1 Å²	94.1	75%	0.748	44%	0.438	S	S	*	.	H	α-helix	trans	-69.2	-49.8	178.5	-61.5	-178.8	176.8	0	0	111.1	T179 K183 K184 E185	T179-E181 PolarHBondContact O-N 2.74Å; E181-K183 VanDerWaalsContact C-N 3.3Å; E181-K183 PolarHBondContact O-N 2.9Å; E181-K184 WeakPolarHBondContact O-CB 3.35Å; E181-K184 PolarHBondContact O-N 2.84Å; E181-K184 VanDerWaalsContact O-N 3.08Å; E181-E185 PolarHBondContact O-N 3.39Å
182	E	96.6	Very high	95.9	Very high	87 Å²	87	90.3 Å²	90.3	41%	0.407	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-38.4	175.5	-70.4	170.4	128.1	0	0	111.9	L178 T179 K184 E185 L186	L178-E182 WeakPolarHBondContact CA-OE2 3.5Å; L178-E182 HydrophobicContact CB-CB 4.13Å; L178-E182 HydrophobicContact CD2-CB 4.18Å; T179-E182 PolarHBondContact N-OE2 3.35Å; T179-E182 PolarHBondContact O-N 2.67Å; T179-E182 WeakPolarHBondContact OG1-CB 3.25Å; T179-E182 WeakPolarHBondContact OG1-CG 3.17Å; T179-E182 PolarHBondContact OG1-N 2.67Å; T179-E182 VanDerWaalsContact OG1-N 3.17Å; T179-E182 PolarHBondContact OG1-OE2 2.67Å; E182-K184 VanDerWaalsContact C-N 3.33Å; E182-E185 PolarHBondContact O-N 3.17Å; E182-L186 VanDerWaalsContact O-CB 3.29Å; E182-L186 WeakPolarHBondContact O-CB 2.92Å; E182-L186 PolarHBondContact O-N 3.45Å
183	K	96.5	Very high	95.9	Very high	35 Å²	35	95.5 Å²	95.5	15%	0.152	44%	0.437	C	S	.	.	H	α-helix	trans	-60.3	-44.4	173.5	174.9	-176.1	171	-172.4	0	110.8	T179 E181 L186 L187 E194 G215 V217	T179-K183 VanDerWaalsContact O-CB 3.29Å; T179-K183 WeakPolarHBondContact O-CB 3.03Å; T179-K183 PolarHBondContact O-N 3.09Å; E181-K183 VanDerWaalsContact C-N 3.3Å; E181-K183 PolarHBondContact O-N 2.9Å; K183-L186 WeakPolarHBondContact O-CB 3.29Å; K183-L186 PolarHBondContact O-N 3.43Å; K183-L187 HydrophobicContact CG-CD1 4.24Å; K183-L187 VanDerWaalsContact O-CG 3.3Å; K183-L187 WeakPolarHBondContact O-CG 3.44Å; K183-L187 PolarHBondContact O-N 3.17Å; K183-L187 VanDerWaalsContact O-N 3.08Å; K183-E194 WeakPolarHBondContact CE-OE1 3.45Å; K183-E194 IonicContact NZ-OE1 2.67Å; K183-E194 PolarHBondContact NZ-OE1 3.05Å; K183-E194 IonicContact NZ-OE2 3.82Å; K183-G215 PolarHBondContact NZ-O 3.32Å; K183-V217 HydrophobicContact CD-CG2 3.86Å; K183-V217 HydrophobicContact CG-CB 4.41Å; K183-V217 HydrophobicContact CG-CG2 3.89Å
184	K	96.5	Very high	95.9	Very high	127 Å²	127	97.6 Å²	97.6	55%	0.552	44%	0.444	S	S	*	.	H	α-helix	trans	-64.2	-46.9	178.2	-178	-179.3	171.4	-174.1	0	110.9	Q180 E181 E182 L186 L187 E188	Q180-K184 WeakPolarHBondContact O-CB 3.44Å; Q180-K184 PolarHBondContact O-N 2.8Å; E181-K184 WeakPolarHBondContact O-CB 3.35Å; E181-K184 PolarHBondContact O-N 2.84Å; E181-K184 VanDerWaalsContact O-N 3.08Å; E182-K184 VanDerWaalsContact C-N 3.33Å; K184-L186 VanDerWaalsContact C-N 3.3Å; K184-L186 PolarHBondContact O-N 3.08Å; K184-L187 PolarHBondContact O-N 3.45Å; K184-E188 WeakPolarHBondContact CE-OE1 3.42Å; K184-E188 WeakPolarHBondContact CG-OE1 3.47Å; K184-E188 WeakPolarHBondContact O-CB 3.31Å; K184-E188 WeakPolarHBondContact O-CG 3.43Å; K184-E188 PolarHBondContact O-N 2.88Å
185	E	97.3	Very high	95.8	Very high	120 Å²	120	97.1 Å²	97.1	56%	0.561	45%	0.445	S	S	*	.	H	α-helix	trans	-58.1	-43.2	176.3	-169.1	-167	153.9	0	0	111.4	E181 E182 L187 E188 R189	E181-E185 PolarHBondContact O-N 3.39Å; E182-E185 PolarHBondContact O-N 3.17Å; E185-L187 PolarHBondContact O-N 3.38Å; E185-E188 PolarHBondContact O-N 2.86Å; E185-R189 WeakPolarHBondContact O-CB 3.45Å; E185-R189 PolarHBondContact O-N 2.89Å
186	L	96.2	Very high	95.8	Very high	12 Å²	12	101.8 Å²	101.8	6%	0.063	47%	0.467	C	S	.	.	H	α-helix	trans	-58.2	-49.6	176.6	176.6	71.4	0	0	0	111.8	L178 E182 K183 K184 E188 Y190 V217 Y233	L178-L186 HydrophobicContact CD1-CD2 4Å; E182-L186 VanDerWaalsContact O-CB 3.29Å; E182-L186 WeakPolarHBondContact O-CB 2.92Å; E182-L186 PolarHBondContact O-N 3.45Å; K183-L186 WeakPolarHBondContact O-CB 3.29Å; K183-L186 PolarHBondContact O-N 3.43Å; K184-L186 VanDerWaalsContact C-N 3.3Å; K184-L186 PolarHBondContact O-N 3.08Å; L186-E188 VanDerWaalsContact C-N 3.34Å; L186-Y190 HydrophobicContact CD1-CD2 3.69Å; L186-Y190 HydrophobicContact CD1-CE2 3.67Å; L186-Y190 WeakPolarHBondContact O-CD2 3.29Å; L186-Y190 PolarHBondContact O-N 3Å; L186-V217 HydrophobicContact CD2-CG1 3.99Å; L186-Y233 HydrophobicContact CD1-CD1 4.04Å; L186-Y233 HydrophobicContact CD1-CD2 3.68Å; L186-Y233 HydrophobicContact CD1-CE1 3.84Å; L186-Y233 HydrophobicContact CD1-CE2 3.48Å; L186-Y233 VanDerWaalsContact CD1-CE2 3.48Å; L186-Y233 HydrophobicContact CD1-CG 3.96Å; L186-Y233 HydrophobicContact CD2-CD1 3.62Å; L186-Y233 HydrophobicContact CD2-CD2 4.21Å; L186-Y233 HydrophobicContact CD2-CE1 4.13Å; L186-Y233 HydrophobicContact CD2-CG 3.65Å; L186-Y233 HydrophobicContact CG-CD1 4.49Å; L186-Y233 HydrophobicContact CG-CG 4.46Å
187	L	96.4	Very high	95.7	Very high	28 Å²	28	99.4 Å²	99.4	15%	0.147	45%	0.454	C	S	.	.	H	α-helix	trans	-64.7	-40.2	-179	-67.8	172.4	0	0	0	111.4	K183 K184 E185 R191 L192 E194 L197	K183-L187 HydrophobicContact CG-CD1 4.24Å; K183-L187 VanDerWaalsContact O-CG 3.3Å; K183-L187 WeakPolarHBondContact O-CG 3.44Å; K183-L187 PolarHBondContact O-N 3.17Å; K183-L187 VanDerWaalsContact O-N 3.08Å; K184-L187 PolarHBondContact O-N 3.45Å; E185-L187 PolarHBondContact O-N 3.38Å; L187-R191 CarbonylContact O-C 3.55Å; L187-R191 VanDerWaalsContact O-CA 3.26Å; L187-R191 WeakPolarHBondContact O-CA 3.46Å; L187-R191 PolarHBondContact O-N 2.91Å; L187-L192 HydrophobicContact CD2-CB 4.26Å; L187-L192 PolarHBondContact O-N 2.85Å; L187-E194 HydrophobicContact CD1-CG 3.81Å; L187-E194 HydrophobicContact CD2-CG 4.46Å; L187-L197 HydrophobicContact CD2-CD1 4.03Å; L187-L197 HydrophobicContact CD2-CG 4.46Å
188	E	96.7	Very high	95.8	Very high	122 Å²	122	99.9 Å²	99.9	57%	0.57	46%	0.459	S	S	*	.	H	α-helix	trans	-67.2	-47.7	177.4	-73.3	177.8	-177	0	0	112	K184 E185 L186 Y190 R191	K184-E188 WeakPolarHBondContact CE-OE1 3.42Å; K184-E188 WeakPolarHBondContact CG-OE1 3.47Å; K184-E188 WeakPolarHBondContact O-CB 3.31Å; K184-E188 WeakPolarHBondContact O-CG 3.43Å; K184-E188 PolarHBondContact O-N 2.88Å; E185-E188 PolarHBondContact O-N 2.86Å; L186-E188 VanDerWaalsContact C-N 3.34Å; E188-Y190 VanDerWaalsContact C-N 3.33Å; E188-Y190 PolarHBondContact O-N 2.97Å; E188-R191 PolarHBondContact O-N 3.49Å; E188-R191 VanDerWaalsContact O-N 3.12Å
189	R	96.5	Very high	95.8	Very high	178 Å²	178	104.4 Å²	104.4	67%	0.672	48%	0.477	S	S	*	.	H	α-helix	trans	-58.4	-43.2	-177.9	-179.1	175.9	179.8	173.1	1.3	112.5	E185	E185-R189 WeakPolarHBondContact O-CB 3.45Å; E185-R189 PolarHBondContact O-N 2.89Å
190	Y	95.4	Very high	95.9	Very high	121 Å²	121	101.1 Å²	101.1	48%	0.475	46%	0.457	S	S	.	.	H	α-helix	trans	-94.8	-0.5	179.6	-66.9	-76.7	0	0	0	113.4	L186 E188 L192	L186-Y190 HydrophobicContact CD1-CD2 3.69Å; L186-Y190 HydrophobicContact CD1-CE2 3.67Å; L186-Y190 WeakPolarHBondContact O-CD2 3.29Å; L186-Y190 PolarHBondContact O-N 3Å; E188-Y190 VanDerWaalsContact C-N 3.33Å; E188-Y190 PolarHBondContact O-N 2.97Å; Y190-L192 HydrophobicContact CG-CD1 4.36Å; Y190-L192 PolarHBondContact O-N 3.21Å
191	R	96	Very high	96	Very high	230 Å²	230	98.1 Å²	98.1	87%	0.868	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.8	-175.4	-56.3	179.7	179	179.4	-1.1	112.2	L187 E188	L187-R191 CarbonylContact O-C 3.55Å; L187-R191 VanDerWaalsContact O-CA 3.26Å; L187-R191 WeakPolarHBondContact O-CA 3.46Å; L187-R191 PolarHBondContact O-N 2.91Å; E188-R191 PolarHBondContact O-N 3.49Å; E188-R191 VanDerWaalsContact O-N 3.12Å
192	L	94.3	Very high	95.8	Very high	63 Å²	63	92.3 Å²	92.3	33%	0.33	42%	0.422	S	S	.	.			trans	-99	149.7	-177.7	-64.8	173.7	0	0	0	110.9	L187 Y190 Q196 L197	L187-L192 HydrophobicContact CD2-CB 4.26Å; L187-L192 PolarHBondContact O-N 2.85Å; Y190-L192 HydrophobicContact CG-CD1 4.36Å; Y190-L192 PolarHBondContact O-N 3.21Å; L192-Q196 HydrophobicContact CD2-CB 4.4Å; L192-L197 HydrophobicContact CD1-CD2 4.14Å
193	K	94.9	Very high	95.7	Very high	146 Å²	146	92.3 Å²	92.3	64%	0.635	43%	0.432	S	S	*	.			trans	-91	152.2	163.1	-64.6	-178.8	-178.6	-178.1	0	109.5	N195 Q196	K193-N195 WeakPolarHBondContact CB-OD1 3.46Å; K193-N195 PolarHBondContact O-N 2.81Å; K193-N195 VanDerWaalsContact O-N 3.15Å; K193-Q196 HydrophobicContact CB-CG 4.3Å; K193-Q196 WeakPolarHBondContact O-CB 3.47Å; K193-Q196 PolarHBondContact O-N 3.02Å
194	E	94.2	Very high	95.7	Very high	87 Å²	87	93.2 Å²	93.2	41%	0.407	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-54.5	-37.6	-179.7	-65.3	-170.5	168.2	0	0	113.3	K183 L187 Q196 L197 I235	K183-E194 WeakPolarHBondContact CE-OE1 3.45Å; K183-E194 IonicContact NZ-OE1 2.67Å; K183-E194 PolarHBondContact NZ-OE1 3.05Å; K183-E194 IonicContact NZ-OE2 3.82Å; L187-E194 HydrophobicContact CD1-CG 3.81Å; L187-E194 HydrophobicContact CD2-CG 4.46Å; E194-Q196 PolarHBondContact O-N 2.85Å; E194-L197 WeakPolarHBondContact O-CB 3.44Å; E194-L197 PolarHBondContact O-N 3.24Å; E194-I235 HydrophobicContact CB-CD1 3.87Å; E194-I235 HydrophobicContact CG-CD1 4.4Å
195	N	93.8	Very high	95.6	Very high	115 Å²	115	91 Å²	91	62%	0.615	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-68.7	-14.3	179.8	66.2	-17.7	0	0	0	114.3	K193	K193-N195 WeakPolarHBondContact CB-OD1 3.46Å; K193-N195 PolarHBondContact O-N 2.81Å; K193-N195 VanDerWaalsContact O-N 3.15Å
196	Q	95.2	Very high	95.6	Very high	116 Å²	116	85.8 Å²	85.8	54%	0.542	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-87.7	-13.4	176.8	-62.1	176.5	-56.2	0	0	112.3	L192 K193 E194	L192-Q196 HydrophobicContact CD2-CB 4.4Å; K193-Q196 HydrophobicContact CB-CG 4.3Å; K193-Q196 WeakPolarHBondContact O-CB 3.47Å; K193-Q196 PolarHBondContact O-N 3.02Å; E194-Q196 PolarHBondContact O-N 2.85Å
197	L	95.5	Very high	95.6	Very high	9 Å²	9	85.3 Å²	85.3	5%	0.047	41%	0.411	C	S	.	.	S	Bend	trans	-70.3	140.4	175.6	-68.4	174.5	0	0	0	110.3	L187 L192 E194 K199 V217 I235	L187-L197 HydrophobicContact CD2-CD1 4.03Å; L187-L197 HydrophobicContact CD2-CG 4.46Å; L192-L197 HydrophobicContact CD1-CD2 4.14Å; E194-L197 WeakPolarHBondContact O-CB 3.44Å; E194-L197 PolarHBondContact O-N 3.24Å; L197-K199 PolarHBondContact O-N 2.84Å; L197-V217 HydrophobicContact CD1-CG1 4.34Å; L197-V217 HydrophobicContact CD1-CG2 3.87Å; L197-I235 HydrophobicContact CB-CB 4.08Å; L197-I235 HydrophobicContact CB-CG2 3.82Å; L197-I235 HydrophobicContact CD1-CB 4.22Å
198	P	96.8	Very high	95.6	Very high	68 Å²	68	87.3 Å²	87.3	44%	0.442	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-53.9	140.1	168.8	-24.5	33.6	0	0	0	111	R234 I235	P198-R234 HydrophobicContact CB-CG 4.3Å; P198-R234 CarbonylContact O-C 3.52Å; P198-R234 WeakPolarHBondContact O-CA 3.26Å; P198-I235 PolarHBondContact O-N 2.85Å
199	K	97	Very high	95.6	Very high	117 Å²	117	82 Å²	82	51%	0.509	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	147	-170.5	-71	152.1	163.7	-163.1	0	111.9	L197 I235 L237	L197-K199 PolarHBondContact O-N 2.84Å; K199-I235 CarbonylContact C-O 3.6Å; K199-I235 WeakPolarHBondContact CA-O 3.37Å; K199-I235 HydrophobicContact CG-CG2 4.12Å; K199-L237 HydrophobicContact CB-CD1 3.72Å; K199-L237 HydrophobicContact CB-CG 4.02Å; K199-L237 HydrophobicContact CD-CD1 3.67Å; K199-L237 HydrophobicContact CD-CD2 4.44Å; K199-L237 HydrophobicContact CD-CG 4.26Å; K199-L237 HydrophobicContact CG-CD1 3.71Å; K199-L237 HydrophobicContact CG-CD2 4.25Å; K199-L237 HydrophobicContact CG-CG 3.86Å
200	M	96.4	Very high	95.6	Very high	6 Å²	6	75.3 Å²	75.3	3%	0.03	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.1	170.8	-177.1	167.9	67.7	0	0	108.9	D204 A207 L212 V218 R234 I235 V236 L237	M200-D204 HydrophobicContact CG-CB 4.07Å; M200-A207 HydrophobicContact CE-CB 3.91Å; M200-A207 HydrophobicContact SD-CB 4.35Å; M200-L212 HydrophobicContact CE-CD1 3.41Å; M200-L212 VanDerWaalsContact CE-CD1 3.41Å; M200-V218 HydrophobicContact CE-CB 4.5Å; M200-V218 HydrophobicContact CE-CG1 3.62Å; M200-V218 HydrophobicContact SD-CG1 4.38Å; M200-R234 HydrophobicContact CB-CB 4.16Å; M200-I235 PolarHBondContact N-O 2.84Å; M200-V236 HydrophobicContact CE-CG2 3.5Å; M200-V236 WeakPolarHBondContact O-CA 3.48Å; M200-L237 PolarHBondContact O-N 2.93Å
201	Q	96.3	Very high	95.6	Very high	113 Å²	113	70.1 Å²	70.1	53%	0.528	35%	0.35	S	S	.	.			trans	-75.8	139.9	177	-63.9	-64.2	-33.4	0	0	109.7	S203 D204 A207	Q201-S203 PolarHBondContact O-N 3.47Å; Q201-D204 VanDerWaalsContact O-CB 3.22Å; Q201-D204 WeakPolarHBondContact O-CB 3.47Å; Q201-D204 PolarHBondContact O-N 3.27Å; Q201-A207 WeakPolarHBondContact O-CB 3.32Å
202	A	94	Very high	95.6	Very high	39 Å²	39	59.8 Å²	59.8	32%	0.322	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.8	170.9	0	0	0	0	0	113.2	D204 V236 L237	A202-D204 VanDerWaalsContact C-N 3.32Å; A202-V236 HydrophobicContact CB-CG1 3.92Å; A202-L237 WeakPolarHBondContact CB-O 3.49Å
203	S	94.5	Very high	95.5	Very high	87 Å²	87	62.7 Å²	62.7	61%	0.608	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-5.7	175.3	63.7	0	0	0	0	114.2	Q201	Q201-S203 PolarHBondContact O-N 3.47Å
204	D	95.7	Very high	95.5	Very high	54 Å²	54	65.3 Å²	65.3	29%	0.289	32%	0.324	S	S	.	.	S	Bend	trans	-59	136.1	176.4	-172.6	-60.6	0	0	0	109.9	M200 Q201 A202 V206 A207 R208	M200-D204 HydrophobicContact CG-CB 4.07Å; Q201-D204 VanDerWaalsContact O-CB 3.22Å; Q201-D204 WeakPolarHBondContact O-CB 3.47Å; Q201-D204 PolarHBondContact O-N 3.27Å; A202-D204 VanDerWaalsContact C-N 3.32Å; D204-V206 PolarHBondContact O-N 3.4Å; D204-V206 PolarHBondContact OD1-N 3.28Å; D204-A207 HydrophobicContact CB-CB 3.86Å; D204-A207 WeakPolarHBondContact O-CB 3.39Å; D204-A207 PolarHBondContact O-N 3.29Å; D204-R208 PolarHBondContact O-N 2.89Å
205	P	95.4	Very high	95.5	Very high	80 Å²	80	62.3 Å²	62.3	52%	0.519	32%	0.317	S	S	.	.	H	α-helix	trans	-52.4	-39.1	178.7	-28.1	35.7	0	0	0	113.7	I166 Y209	I166-P205 VanDerWaalsContact CD1-C 3.47Å; I166-P205 HydrophobicContact CD1-CB 3.51Å; I166-P205 WeakPolarHBondContact CD1-O 3.45Å; P205-Y209 WeakPolarHBondContact O-CB 3.42Å; P205-Y209 PolarHBondContact O-N 3.08Å
206	V	96.2	Very high	95.6	Very high	11 Å²	11	60.3 Å²	60.3	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-72.9	-38	178.1	-178.6	0	0	0	0	110.9	I166 V172 H175 D204 R208 Y209 Y210	I166-V206 HydrophobicContact CD1-CG2 4.1Å; V172-V206 HydrophobicContact CG1-CG2 4.09Å; H175-V206 HydrophobicContact CB-CG1 4.2Å; D204-V206 PolarHBondContact O-N 3.4Å; D204-V206 PolarHBondContact OD1-N 3.28Å; V206-R208 VanDerWaalsContact C-N 3.33Å; V206-R208 PolarHBondContact O-N 2.81Å; V206-Y209 WeakPolarHBondContact O-CB 3.42Å; V206-Y209 PolarHBondContact O-N 3.24Å; V206-Y210 HydrophobicContact CG1-CD2 3.89Å; V206-Y210 HydrophobicContact CG1-CE2 3.97Å; V206-Y210 WeakPolarHBondContact O-CD2 3.48Å; V206-Y210 PolarHBondContact O-N 3.42Å; V206-Y210 VanDerWaalsContact O-N 3.1Å
207	A	96.5	Very high	95.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-42.4	174.9	0	0	0	0	0	111.5	M200 Q201 D204 G211 L212	M200-A207 HydrophobicContact CE-CB 3.91Å; M200-A207 HydrophobicContact SD-CB 4.35Å; Q201-A207 WeakPolarHBondContact O-CB 3.32Å; D204-A207 HydrophobicContact CB-CB 3.86Å; D204-A207 WeakPolarHBondContact O-CB 3.39Å; D204-A207 PolarHBondContact O-N 3.29Å; A207-G211 PolarHBondContact O-N 2.95Å; A207-G211 VanDerWaalsContact O-N 3.14Å; A207-L212 HydrophobicContact CB-CB 4.42Å; A207-L212 HydrophobicContact CB-CD1 4.27Å; A207-L212 PolarHBondContact O-N 2.91Å
208	R	96.4	Very high	95.8	Very high	71 Å²	71	54.4 Å²	54.4	27%	0.268	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-44.5	172.4	-71.8	179.4	63.4	-154.5	-7.4	111.3	R55 C156 F157 E161 D204 V206 Y210 G211	R55-R208 PolarHBondContact NH2-O 2.84Å; C156-R208 PolarHBondContact O-NH2 3.48Å; F157-R208 HydrophobicContact CE1-CB 4.08Å; F157-R208 HydrophobicContact CZ-CB 4.18Å; F157-R208 WeakPolarHBondContact CZ-O 3.3Å; E161-R208 IonicContact OE1-CZ 2.64Å; E161-R208 IonicContact OE1-NH1 3.48Å; E161-R208 PolarHBondContact OE1-NH1 3.37Å; E161-R208 IonicContact OE1-NH2 3.6Å; E161-R208 IonicContact OE2-CZ 3.01Å; E161-R208 IonicContact OE2-NH1 3.97Å; E161-R208 PolarHBondContact OE2-NH1 2.95Å; E161-R208 IonicContact OE2-NH2 3.59Å; E161-R208 PolarHBondContact OE2-NH2 3.22Å; D204-R208 PolarHBondContact O-N 2.89Å; V206-R208 VanDerWaalsContact C-N 3.33Å; V206-R208 PolarHBondContact O-N 2.81Å; R208-Y210 VanDerWaalsContact C-N 3.32Å; R208-Y210 PolarHBondContact O-N 2.83Å; R208-G211 PolarHBondContact O-N 2.89Å
209	Y	97.1	Very high	95.9	Very high	9 Å²	9	55 Å²	55	4%	0.035	27%	0.27	C	S	.	.	H	α-helix	trans	-55.5	-44.1	179.3	-177.3	-87.9	0	0	0	112.6	M51 D54 R55 N165 I166 T167 P205 V206 G211	M51-Y209 WeakPolarHBondContact CA-OH 3.38Å; M51-Y209 HydrophobicContact CB-CD2 4.31Å; M51-Y209 HydrophobicContact CB-CE1 4.43Å; M51-Y209 HydrophobicContact CB-CE2 3.67Å; M51-Y209 HydrophobicContact CG-CD1 4.49Å; M51-Y209 HydrophobicContact CG-CD2 4.09Å; M51-Y209 HydrophobicContact CG-CE1 4.34Å; M51-Y209 HydrophobicContact CG-CE2 3.94Å; M51-Y209 HydrophobicContact CG-CG 4.38Å; M51-Y209 WeakPolarHBondContact CG-O 3.5Å; M51-Y209 PolarHBondContact N-OH 3.42Å; M51-Y209 HydrophobicContact SD-CD2 4.23Å; D54-Y209 HydrophobicContact CB-CE1 3.95Å; D54-Y209 WeakPolarHBondContact OD2-CE1 3.42Å; D54-Y209 PolarHBondContact OD2-OH 3.38Å; R55-Y209 PolarHBondContact NE-O 3.13Å; R55-Y209 PolarHBondContact NH2-O 2.85Å; N165-Y209 VanDerWaalsContact OD1-CE2 3.26Å; N165-Y209 WeakPolarHBondContact OD1-CE2 3.19Å; I166-Y209 HydrophobicContact CG1-CD2 4.45Å; T167-Y209 HydrophobicContact CG2-CD1 3.61Å; T167-Y209 HydrophobicContact CG2-CD2 4.19Å; T167-Y209 HydrophobicContact CG2-CE1 3.46Å; T167-Y209 VanDerWaalsContact CG2-CE1 3.46Å; T167-Y209 HydrophobicContact CG2-CE2 4.05Å; T167-Y209 HydrophobicContact CG2-CG 3.97Å; P205-Y209 WeakPolarHBondContact O-CB 3.42Å; P205-Y209 PolarHBondContact O-N 3.08Å; V206-Y209 WeakPolarHBondContact O-CB 3.42Å; V206-Y209 PolarHBondContact O-N 3.24Å; Y209-G211 VanDerWaalsContact C-N 3.33Å
210	Y	96.4	Very high	95.9	Very high	38 Å²	38	50 Å²	50	15%	0.149	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0	177	-74.5	-76.7	0	0	0	114.2	D54 T167 H175 V177 V206 R208 L212	D54-Y210 HydrophobicContact CB-CE1 4.16Å; T167-Y210 HydrophobicContact CG2-CE2 4.44Å; H175-Y210 HydrophobicContact CB-CD2 4.4Å; H175-Y210 HydrophobicContact CB-CE2 3.78Å; H175-Y210 PolarHBondContact O-OH 2.97Å; V177-Y210 HydrophobicContact CG2-CD1 3.95Å; V177-Y210 HydrophobicContact CG2-CG 4.11Å; V206-Y210 HydrophobicContact CG1-CD2 3.89Å; V206-Y210 HydrophobicContact CG1-CE2 3.97Å; V206-Y210 WeakPolarHBondContact O-CD2 3.48Å; V206-Y210 PolarHBondContact O-N 3.42Å; V206-Y210 VanDerWaalsContact O-N 3.1Å; R208-Y210 VanDerWaalsContact C-N 3.32Å; R208-Y210 PolarHBondContact O-N 2.83Å; Y210-L212 VanDerWaalsContact C-N 3.3Å; Y210-L212 PolarHBondContact O-N 3.33Å
211	G	94.9	Very high	95.8	Very high	13 Å²	13	50.5 Å²	50.5	13%	0.134	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	33.8	-178.2	0	0	0	0	0	113.2	A207 R208 Y209	A207-G211 PolarHBondContact O-N 2.95Å; A207-G211 VanDerWaalsContact O-N 3.14Å; R208-G211 PolarHBondContact O-N 2.89Å; Y209-G211 VanDerWaalsContact C-N 3.33Å
212	L	95.4	Very high	95.7	Very high	13 Å²	13	50.6 Å²	50.6	7%	0.068	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.8	137.9	-171.9	-58.1	-179.7	0	0	0	112.8	V177 M200 A207 Y210 Q216 V218 V236	V177-L212 HydrophobicContact CB-CD2 4.32Å; V177-L212 HydrophobicContact CG1-CD2 3.72Å; V177-L212 HydrophobicContact CG2-CD2 3.62Å; M200-L212 HydrophobicContact CE-CD1 3.41Å; M200-L212 VanDerWaalsContact CE-CD1 3.41Å; A207-L212 HydrophobicContact CB-CB 4.42Å; A207-L212 HydrophobicContact CB-CD1 4.27Å; A207-L212 PolarHBondContact O-N 2.91Å; Y210-L212 VanDerWaalsContact C-N 3.3Å; Y210-L212 PolarHBondContact O-N 3.33Å; L212-Q216 VanDerWaalsContact CA-OE1 3.31Å; L212-V218 HydrophobicContact CD1-CB 4.39Å; L212-V236 HydrophobicContact CB-CG2 3.83Å; L212-V236 HydrophobicContact CD1-CG2 3.8Å; L212-V236 HydrophobicContact CG-CG2 4.45Å
213	R	93.1	Very high	95.6	Very high	124 Å²	124	54.2 Å²	54.2	47%	0.468	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-102.1	157.5	177.4	-62	-69.9	-162.2	174.2	11.7	111.3	T153 G215 Q216 V236	T153-R213 VanDerWaalsContact CB-NH2 3.34Å; T153-R213 PolarHBondContact OG1-NH2 2.99Å; R213-G215 PolarHBondContact O-N 2.76Å; R213-Q216 HydrophobicContact CB-CG 4.36Å; R213-Q216 WeakPolarHBondContact O-CB 3.18Å; R213-Q216 PolarHBondContact O-N 2.89Å; R213-Q216 VanDerWaalsContact O-N 3.09Å; R213-V236 WeakPolarHBondContact O-CB 3.41Å
214	R	94.3	Very high	95.5	Very high	200 Å²	200	51.7 Å²	51.7	76%	0.755	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	133.6	173.8	-60.2	-169.7	152.4	167.1	-4.1	111.2	Q216 L237	R214-Q216 VanDerWaalsContact C-N 3.29Å; R214-Q216 PolarHBondContact O-N 3.12Å; R214-L237 WeakPolarHBondContact CD-OXT 3.18Å; R214-L237 VanDerWaalsContact CG-OXT 3.25Å; R214-L237 WeakPolarHBondContact CG-OXT 3.22Å; R214-L237 PolarHBondContact NE-OXT 3.36Å
215	G	95.1	Very high	95.3	Very high	25 Å²	25	58.9 Å²	58.9	26%	0.258	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-9	179.7	0	0	0	0	0	115	K183 R213 V236	K183-G215 PolarHBondContact NZ-O 3.32Å; R213-G215 PolarHBondContact O-N 2.76Å; G215-V236 PolarHBondContact N-O 2.94Å
216	Q	96.4	Very high	95.2	Very high	72 Å²	72	61.8 Å²	61.8	34%	0.336	30%	0.298	S	S	.	.			trans	-71.7	149.5	170.4	-69.9	-175.7	-45.7	0	0	110.9	L212 R213 R214 I235 V236	L212-Q216 VanDerWaalsContact CA-OE1 3.31Å; R213-Q216 HydrophobicContact CB-CG 4.36Å; R213-Q216 WeakPolarHBondContact O-CB 3.18Å; R213-Q216 PolarHBondContact O-N 2.89Å; R213-Q216 VanDerWaalsContact O-N 3.09Å; R214-Q216 VanDerWaalsContact C-N 3.29Å; R214-Q216 PolarHBondContact O-N 3.12Å; Q216-I235 WeakPolarHBondContact O-CA 3.34Å; Q216-V236 PolarHBondContact O-N 3.4Å
217	V	97.1	Very high	94.8	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.4	-179.6	-179.9	0	0	0	0	109	L178 K183 L186 L197 R234 I235	L178-V217 WeakPolarHBondContact CB-O 3.49Å; L178-V217 HydrophobicContact CD1-CB 4.34Å; L178-V217 HydrophobicContact CD1-CG1 3.89Å; L178-V217 PolarHBondContact N-O 3.11Å; K183-V217 HydrophobicContact CD-CG2 3.86Å; K183-V217 HydrophobicContact CG-CB 4.41Å; K183-V217 HydrophobicContact CG-CG2 3.89Å; L186-V217 HydrophobicContact CD2-CG1 3.99Å; L197-V217 HydrophobicContact CD1-CG1 4.34Å; L197-V217 HydrophobicContact CD1-CG2 3.87Å; V217-R234 CarbonylContact C-O 3.54Å; V217-R234 VanDerWaalsContact CA-O 3.31Å; V217-R234 WeakPolarHBondContact CA-O 3.4Å; V217-I235 HydrophobicContact CG2-CB 4.18Å; V217-I235 HydrophobicContact CG2-CD1 4.34Å; V217-I235 HydrophobicContact CG2-CG1 4.04Å
218	V	97.4	Very high	94.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.3	175.6	65.6	0	0	0	0	109.5	H175 N176 M200 L212 I220 Y233 R234	H175-V218 HydrophobicContact CB-CG2 3.76Å; N176-V218 WeakPolarHBondContact O-CG2 3.5Å; M200-V218 HydrophobicContact CE-CB 4.5Å; M200-V218 HydrophobicContact CE-CG1 3.62Å; M200-V218 HydrophobicContact SD-CG1 4.38Å; L212-V218 HydrophobicContact CD1-CB 4.39Å; V218-I220 HydrophobicContact CG1-CD1 4.36Å; V218-I220 HydrophobicContact CG1-CG1 4.18Å; V218-Y233 WeakPolarHBondContact O-CA 3.38Å; V218-R234 HydrophobicContact CG1-CB 3.99Å; V218-R234 PolarHBondContact N-O 3.15Å; V218-R234 PolarHBondContact O-N 2.92Å
219	R	97.5	Very high	94.3	Very high	81 Å²	81	73 Å²	73	31%	0.306	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.4	168.3	177.4	-178.1	165.9	-155.5	-4.2	108.8	H175 N176 L178 I231 Y233	H175-R219 WeakPolarHBondContact CA-O 3.18Å; N176-R219 HydrophobicContact CB-CB 4.5Å; N176-R219 PolarHBondContact N-O 2.94Å; N176-R219 PolarHBondContact O-N 3.19Å; L178-R219 HydrophobicContact CD2-CB 3.95Å; L178-R219 HydrophobicContact CG-CB 4.31Å; R219-I231 HydrophobicContact CG-CG2 3.75Å; R219-Y233 HydrophobicContact CB-CD1 3.89Å; R219-Y233 HydrophobicContact CB-CE1 3.72Å; R219-Y233 HydrophobicContact CG-CD1 4.17Å; R219-Y233 HydrophobicContact CG-CE1 3.65Å
220	I	97.4	Very high	94.2	Very high	11 Å²	11	77.2 Å²	77.2	6%	0.056	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.7	-179.9	-50.4	-179.9	0	0	0	108.2	P173 Q174 V218 I231 T232 R234	P173-I220 HydrophobicContact CB-CG2 3.82Å; P173-I220 HydrophobicContact CG-CG2 3.49Å; P173-I220 VanDerWaalsContact CG-CG2 3.49Å; Q174-I220 WeakPolarHBondContact O-CA 3.42Å; V218-I220 HydrophobicContact CG1-CD1 4.36Å; V218-I220 HydrophobicContact CG1-CG1 4.18Å; I220-I231 WeakPolarHBondContact O-CA 3.07Å; I220-T232 HydrophobicContact CB-CG2 3.76Å; I220-T232 HydrophobicContact CD1-CG2 4.37Å; I220-T232 HydrophobicContact CG1-CG2 4.42Å; I220-T232 HydrophobicContact CG2-CG2 4.36Å; I220-T232 PolarHBondContact N-O 2.94Å; I220-T232 PolarHBondContact O-N 2.78Å; I220-R234 HydrophobicContact CD1-CB 4.4Å; I220-R234 HydrophobicContact CD1-CG 3.8Å
221	T	95.8	Very high	94.2	Very high	18 Å²	18	78.8 Å²	78.8	11%	0.11	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.3	176.2	-55.4	0	0	0	0	108.9	P173 Q174 I231	P173-T221 WeakPolarHBondContact CB-O 3.26Å; Q174-T221 PolarHBondContact N-O 3.29Å; Q174-T221 PolarHBondContact O-N 2.94Å; T221-I231 HydrophobicContact CG2-CG1 4.5Å
222	R	94	Very high	94.2	Very high	114 Å²	114	79.6 Å²	79.6	43%	0.43	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.2	178.1	69.3	-177.6	-177.7	-174.2	-3.8	111.4	P173 Y230	P173-R222 HydrophobicContact CB-CB 4.03Å; R222-Y230 HydrophobicContact CG-CD1 3.89Å; R222-Y230 HydrophobicContact CG-CG 4.29Å; R222-Y230 WeakPolarHBondContact CG-O 3.48Å; R222-Y230 PolarHBondContact N-O 3.34Å; R222-Y230 PolarHBondContact O-N 3.12Å
223	P	91.9	Very high	94.3	Very high	116 Å²	116	81.3 Å²	81.3	75%	0.753	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	140.5	166.5	28	-32.6	0	0	0	109.2
224	S	91.5	Very high	94.5	Very high	33 Å²	33	80.4 Å²	80.4	23%	0.231	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131	178	174.7	0	0	0	0	108.9	T226 A227 G228	S224-T226 VanDerWaalsContact C-N 3.26Å; S224-T226 PolarHBondContact O-N 2.95Å; S224-A227 PolarHBondContact OG-N 3.48Å; S224-G228 PolarHBondContact N-O 2.96Å; S224-G228 CarbonylContact O-C 3.44Å; S224-G228 WeakPolarHBondContact O-CA 3.31Å; S224-G228 PolarHBondContact O-N 3.18Å
225	E	91.6	Very high	94.7	Very high	205 Å²	205	71.4 Å²	71.4	96%	0.958	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-36.3	178.8	-63.8	-180	170.4	0	0	112.1
226	T	93.5	Very high	94.8	Very high	141 Å²	141	70.3 Å²	70.3	87%	0.865	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-42.4	-176.6	-39.2	0	0	0	0	113	S224	S224-T226 VanDerWaalsContact C-N 3.26Å; S224-T226 PolarHBondContact O-N 2.95Å
227	A	87.3	Confident	94.6	Very high	70 Å²	70	70.5 Å²	70.5	58%	0.579	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	0.1	-170.5	0	0	0	0	0	113.7	S224 R229	S224-A227 PolarHBondContact OG-N 3.48Å; A227-R229 PolarHBondContact O-N 3.23Å
228	G	90.7	Very high	94.5	Very high	49 Å²	49	74 Å²	74	51%	0.505	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	72.7	-60.6	-169.4	0	0	0	0	0	112.1	S224	S224-G228 PolarHBondContact N-O 2.96Å; S224-G228 CarbonylContact O-C 3.44Å; S224-G228 WeakPolarHBondContact O-CA 3.31Å; S224-G228 PolarHBondContact O-N 3.18Å
229	R	92.3	Very high	94.3	Very high	199 Å²	199	77.9 Å²	77.9	75%	0.751	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.8	175.9	-65.6	-176.3	179.3	-176.7	-1.3	110.6	A227	A227-R229 PolarHBondContact O-N 3.23Å
230	Y	94.9	Very high	94.1	Very high	98 Å²	98	77.7 Å²	77.7	38%	0.384	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.5	171.9	179	-88.5	0	0	0	109.6	R222 T232	R222-Y230 HydrophobicContact CG-CD1 3.89Å; R222-Y230 HydrophobicContact CG-CG 4.29Å; R222-Y230 WeakPolarHBondContact CG-O 3.48Å; R222-Y230 PolarHBondContact N-O 3.34Å; R222-Y230 PolarHBondContact O-N 3.12Å; Y230-T232 HydrophobicContact CE1-CG2 4.16Å
231	I	95.4	Very high	93.9	Very high	72 Å²	72	81.6 Å²	81.6	37%	0.369	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.6	178	-59.7	166.9	0	0	0	108.1	R219 I220 T221 Y233	R219-I231 HydrophobicContact CG-CG2 3.75Å; I220-I231 WeakPolarHBondContact O-CA 3.07Å; T221-I231 HydrophobicContact CG2-CG1 4.5Å; I231-Y233 HydrophobicContact CG2-CE1 4.38Å; I231-Y233 HydrophobicContact CG2-CE2 4.05Å
232	T	96.2	Very high	93.8	Very high	30 Å²	30	85.6 Å²	85.6	18%	0.184	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	163.3	172.8	-168.3	0	0	0	0	110.7	I220 Y230	I220-T232 HydrophobicContact CB-CG2 3.76Å; I220-T232 HydrophobicContact CD1-CG2 4.37Å; I220-T232 HydrophobicContact CG1-CG2 4.42Å; I220-T232 HydrophobicContact CG2-CG2 4.36Å; I220-T232 PolarHBondContact N-O 2.94Å; I220-T232 PolarHBondContact O-N 2.78Å; Y230-T232 HydrophobicContact CE1-CG2 4.16Å
233	Y	97.1	Very high	93.8	Very high	49 Å²	49	83.7 Å²	83.7	19%	0.192	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.9	-177.2	-57.4	-84.1	0	0	0	109.1	L178 L186 V218 R219 I231	L178-Y233 HydrophobicContact CD1-CD1 3.96Å; L178-Y233 HydrophobicContact CD1-CE1 4.08Å; L186-Y233 HydrophobicContact CD1-CD1 4.04Å; L186-Y233 HydrophobicContact CD1-CD2 3.68Å; L186-Y233 HydrophobicContact CD1-CE1 3.84Å; L186-Y233 HydrophobicContact CD1-CE2 3.48Å; L186-Y233 VanDerWaalsContact CD1-CE2 3.48Å; L186-Y233 HydrophobicContact CD1-CG 3.96Å; L186-Y233 HydrophobicContact CD2-CD1 3.62Å; L186-Y233 HydrophobicContact CD2-CD2 4.21Å; L186-Y233 HydrophobicContact CD2-CE1 4.13Å; L186-Y233 HydrophobicContact CD2-CG 3.65Å; L186-Y233 HydrophobicContact CG-CD1 4.49Å; L186-Y233 HydrophobicContact CG-CG 4.46Å; V218-Y233 WeakPolarHBondContact O-CA 3.38Å; R219-Y233 HydrophobicContact CB-CD1 3.89Å; R219-Y233 HydrophobicContact CB-CE1 3.72Å; R219-Y233 HydrophobicContact CG-CD1 4.17Å; R219-Y233 HydrophobicContact CG-CE1 3.65Å; I231-Y233 HydrophobicContact CG2-CE1 4.38Å; I231-Y233 HydrophobicContact CG2-CE2 4.05Å
234	R	97.6	Very high	93.9	Very high	104 Å²	104	81.4 Å²	81.4	39%	0.392	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.4	174.1	-63.3	-165.8	172.2	-158.6	-1.7	111.1	P198 M200 V217 V218 I220	P198-R234 HydrophobicContact CB-CG 4.3Å; P198-R234 CarbonylContact O-C 3.52Å; P198-R234 WeakPolarHBondContact O-CA 3.26Å; M200-R234 HydrophobicContact CB-CB 4.16Å; V217-R234 CarbonylContact C-O 3.54Å; V217-R234 VanDerWaalsContact CA-O 3.31Å; V217-R234 WeakPolarHBondContact CA-O 3.4Å; V218-R234 HydrophobicContact CG1-CB 3.99Å; V218-R234 PolarHBondContact N-O 3.15Å; V218-R234 PolarHBondContact O-N 2.92Å; I220-R234 HydrophobicContact CD1-CB 4.4Å; I220-R234 HydrophobicContact CD1-CG 3.8Å
235	I	97.2	Very high	94.1	Very high	12 Å²	12	85.2 Å²	85.2	6%	0.062	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.6	173.6	-167.9	168.6	0	0	0	110.4	E194 L197 P198 K199 M200 Q216 V217	E194-I235 HydrophobicContact CB-CD1 3.87Å; E194-I235 HydrophobicContact CG-CD1 4.4Å; L197-I235 HydrophobicContact CB-CB 4.08Å; L197-I235 HydrophobicContact CB-CG2 3.82Å; L197-I235 HydrophobicContact CD1-CB 4.22Å; P198-I235 PolarHBondContact O-N 2.85Å; K199-I235 CarbonylContact C-O 3.6Å; K199-I235 WeakPolarHBondContact CA-O 3.37Å; K199-I235 HydrophobicContact CG-CG2 4.12Å; M200-I235 PolarHBondContact N-O 2.84Å; Q216-I235 WeakPolarHBondContact O-CA 3.34Å; V217-I235 HydrophobicContact CG2-CB 4.18Å; V217-I235 HydrophobicContact CG2-CD1 4.34Å; V217-I235 HydrophobicContact CG2-CG1 4.04Å
236	V	97.4	Very high	94.3	Very high	2 Å²	2	75.2 Å²	75.2	1%	0.012	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	131.4	177.3	179.4	0	0	0	0	110.7	M200 A202 L212 R213 G215 Q216	M200-V236 HydrophobicContact CE-CG2 3.5Å; M200-V236 WeakPolarHBondContact O-CA 3.48Å; A202-V236 HydrophobicContact CB-CG1 3.92Å; L212-V236 HydrophobicContact CB-CG2 3.83Å; L212-V236 HydrophobicContact CD1-CG2 3.8Å; L212-V236 HydrophobicContact CG-CG2 4.45Å; R213-V236 WeakPolarHBondContact O-CB 3.41Å; G215-V236 PolarHBondContact N-O 2.94Å; Q216-V236 PolarHBondContact O-N 3.4Å
237	L	92.5	Very high	94.4	Very high	76 Å²	76	69.2 Å²	69.2	40%	0.398	35%	0.348	S	S	.	.			trans	-96.9	0	175.8	-77.1	-178.8	0	0	0	114.1	K199 M200 A202 R214	K199-L237 HydrophobicContact CB-CD1 3.72Å; K199-L237 HydrophobicContact CB-CG 4.02Å; K199-L237 HydrophobicContact CD-CD1 3.67Å; K199-L237 HydrophobicContact CD-CD2 4.44Å; K199-L237 HydrophobicContact CD-CG 4.26Å; K199-L237 HydrophobicContact CG-CD1 3.71Å; K199-L237 HydrophobicContact CG-CD2 4.25Å; K199-L237 HydrophobicContact CG-CG 3.86Å; M200-L237 PolarHBondContact O-N 2.93Å; A202-L237 WeakPolarHBondContact CB-O 3.49Å; R214-L237 WeakPolarHBondContact CD-OXT 3.18Å; R214-L237 VanDerWaalsContact CG-OXT 3.25Å; R214-L237 WeakPolarHBondContact CG-OXT 3.22Å; R214-L237 PolarHBondContact NE-OXT 3.36Å

Retrieved 237 of 237 residues in 241 ms (Link to these results)

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