A0A3Q0KN95_SCHMA Loading...

Purple acid phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KN95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 465 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	44.6	Very low	41.2	Very low	230 Å²	230	181.2 Å²	181.2	100%	1.133	87%	0.873	S	S	*	*				0	67.8	0	-161.8	168.9	82.6	0	0	107.9
2	Y	40.5	Very low	40.4	Very low	228 Å²	228	178.3 Å²	178.3	89%	0.894	87%	0.865	S	S	*	*			trans	-141.1	47	-162.7	-82.9	-79.1	0	0	0	111.2
3	I	45.5	Very low	39.8	Very low	159 Å²	159	177.1 Å²	177.1	82%	0.815	86%	0.864	S	S	*	*			trans	-142	74.5	179.6	-54	177.6	0	0	0	108.1
4	L	44.6	Very low	39.3	Very low	171 Å²	171	175.5 Å²	175.5	90%	0.895	86%	0.862	S	S	*	*	S	Bend	trans	-158.3	15.6	168.2	-107.4	149.5	0	0	0	113.6
5	F	45.5	Very low	39.4	Very low	193 Å²	193	176.4 Å²	176.4	85%	0.846	86%	0.863	S	S	*	*	S	Bend	trans	-120	21.6	-177.1	-109.9	-83.5	0	0	0	114.2
6	I	43.4	Very low	39.6	Very low	137 Å²	137	173.4 Å²	173.4	70%	0.703	86%	0.858	S	S	*	*	S	Bend	trans	-125.4	48.6	-178.4	-47.5	179.3	0	0	0	110.6
7	L	38.2	Very low	40.4	Very low	174 Å²	174	170.7 Å²	170.7	91%	0.911	84%	0.84	S	S	*	*	S	Bend	trans	-135.9	8.3	170.5	-119.5	112.6	0	0	0	114.9
8	Q	39.1	Very low	41.7	Very low	187 Å²	187	163.8 Å²	163.8	87%	0.874	81%	0.811	S	S	*	*	S	Bend	trans	-117.2	14.1	178.8	-101.4	174.2	-20.5	0	0	114.2
9	L	37	Very low	43.2	Very low	147 Å²	147	163.5 Å²	163.5	77%	0.77	80%	0.8	S	S	*	*	S	Bend	trans	-123.7	17.5	-173.8	-98.5	146.4	0	0	0	115.2
10	F	38.2	Very low	44.9	Very low	188 Å²	188	157.4 Å²	157.4	83%	0.825	77%	0.771	S	S	*	*			trans	-127.2	25.4	178.3	-84	-76.5	0	0	0	115.3
11	L	36.5	Very low	46.2	Very low	179 Å²	179	156.8 Å²	156.8	94%	0.937	78%	0.776	S	S	*	*			trans	-108	29.5	170	-78.3	167.6	0	0	0	112.7
12	N	31.3	Very low	47.5	Very low	146 Å²	146	154.4 Å²	154.4	78%	0.781	76%	0.756	S	S	*	*	S	Bend	trans	-116.2	127.7	163.6	-89.4	-40.7	0	0	0	107.4
13	L	33.2	Very low	49.2	Very low	163 Å²	163	145.6 Å²	145.6	85%	0.853	74%	0.735	S	S	*	*	S	Bend	trans	83.1	77.9	179.3	-53	154	0	0	0	115
14	N	32.9	Very low	50.8	Low	155 Å²	155	140.4 Å²	140.4	83%	0.829	71%	0.706	S	S	*	*			trans	-172.1	119.8	138.3	-91.3	-36.6	0	0	0	109.3	V16	N14-V16 VanDerWaalsContact C-N 3.31Å; N14-V16 PolarHBondContact O-N 3.22Å
15	H	40.7	Very low	52.8	Low	189 Å²	189	133.4 Å²	133.4	88%	0.875	67%	0.668	S	S	*	*			trans	-56.1	95.9	162.1	-85.9	-83.4	0	0	0	108.4	K17	H15-K17 VanDerWaalsContact C-N 3.28Å; H15-K17 PolarHBondContact O-N 3.06Å
16	V	43	Very low	54.7	Low	129 Å²	129	129.1 Å²	129.1	78%	0.782	65%	0.651	S	S	*	*			trans	-65.4	100.6	161.6	-179.7	0	0	0	0	104.7	N14 S18	N14-V16 VanDerWaalsContact C-N 3.31Å; N14-V16 PolarHBondContact O-N 3.22Å; V16-S18 VanDerWaalsContact C-N 3.3Å; V16-S18 PolarHBondContact O-N 3.07Å
17	K	52.7	Low	57	Low	127 Å²	127	123.5 Å²	123.5	55%	0.552	62%	0.624	S	S	*	*			trans	-60.6	100	170.3	-69.3	-176.1	179	179.6	0	106.1	H15 W19 K25	H15-K17 VanDerWaalsContact C-N 3.28Å; H15-K17 PolarHBondContact O-N 3.06Å; K17-W19 PolarHBondContact O-NE1 3.43Å; K17-K25 HydrophobicContact CD-CD 4.37Å
18	S	63.4	Low	59.7	Low	46 Å²	46	116.7 Å²	116.7	32%	0.322	59%	0.588	S	S	.	*			trans	-71	134.8	174.3	44	0	0	0	0	108.8	V16 E26	V16-S18 VanDerWaalsContact C-N 3.3Å; V16-S18 PolarHBondContact O-N 3.07Å; S18-E26 WeakPolarHBondContact CB-OE1 3.45Å; S18-E26 WeakPolarHBondContact CB-OE2 3.15Å; S18-E26 PolarHBondContact O-N 3.23Å; S18-E26 PolarHBondContact OG-OE2 2.98Å
19	W	70.5	Confident	62.4	Low	159 Å²	159	109.8 Å²	109.8	60%	0.602	56%	0.556	S	S	*	*	B	Isolated β-bridge	trans	-115.4	138.5	176.4	-63.4	87.2	0	0	0	107.4	K17 G23 F24 K25	K17-W19 PolarHBondContact O-NE1 3.43Å; W19-G23 WeakPolarHBondContact CZ3-O 3.48Å; W19-F24 CarbonylContact C-O 3.59Å; W19-F24 VanDerWaalsContact CA-O 3.26Å; W19-F24 WeakPolarHBondContact CA-O 3.31Å; W19-K25 HydrophobicContact CE3-CB 4.16Å; W19-K25 HydrophobicContact CH2-CB 4.33Å; W19-K25 HydrophobicContact CZ3-CB 4.03Å
20	N	77.4	Confident	65.3	Low	40 Å²	40	103.2 Å²	103.2	21%	0.214	52%	0.522	C	S	.	.			trans	-76.8	176.4	174.7	76.5	-3.7	0	0	0	111.6	Y22 G23 F24 I29	N20-Y22 PolarHBondContact O-N 3.48Å; N20-Y22 WeakPolarHBondContact OD1-CA 3.31Å; N20-Y22 WeakPolarHBondContact OD1-CB 3.2Å; N20-Y22 PolarHBondContact OD1-N 2.85Å; N20-G23 PolarHBondContact O-N 2.97Å; N20-G23 PolarHBondContact OD1-N 2.5Å; N20-G23 VanDerWaalsContact OD1-N 3.11Å; N20-F24 PolarHBondContact N-O 3.21Å; N20-F24 PolarHBondContact OD1-N 2.95Å; N20-F24 PolarHBondContact OD1-O 3.44Å; N20-I29 HydrophobicContact CB-CD1 3.7Å; N20-I29 WeakPolarHBondContact ND2-CD1 3.36Å
21	V	72.5	Confident	68.1	Low	146 Å²	146	96.2 Å²	96.2	89%	0.885	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.4	179.1	-178.3	0	0	0	0	113
22	Y	72.4	Confident	71.1	Confident	179 Å²	179	87.8 Å²	87.8	70%	0.702	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	1.3	178.1	-58.4	-68.6	0	0	0	113.9	N20	N20-Y22 PolarHBondContact O-N 3.48Å; N20-Y22 WeakPolarHBondContact OD1-CA 3.31Å; N20-Y22 WeakPolarHBondContact OD1-CB 3.2Å; N20-Y22 PolarHBondContact OD1-N 2.85Å
23	G	75.4	Confident	74.3	Confident	44 Å²	44	80.9 Å²	80.9	45%	0.454	41%	0.411	S	S	.	.	S	Bend	trans	76.6	22.1	-179.7	0	0	0	0	0	114	W19 N20	W19-G23 WeakPolarHBondContact CZ3-O 3.48Å; N20-G23 PolarHBondContact O-N 2.97Å; N20-G23 PolarHBondContact OD1-N 2.5Å; N20-G23 VanDerWaalsContact OD1-N 3.11Å
24	F	79.6	Confident	77.4	Confident	50 Å²	50	73.3 Å²	73.3	22%	0.219	37%	0.371	C	S	.	.			trans	-92.9	142.6	169.2	-60.7	-57.4	0	0	0	110.8	W19 N20 E26 I29 L110 D111	W19-F24 CarbonylContact C-O 3.59Å; W19-F24 VanDerWaalsContact CA-O 3.26Å; W19-F24 WeakPolarHBondContact CA-O 3.31Å; N20-F24 PolarHBondContact N-O 3.21Å; N20-F24 PolarHBondContact OD1-N 2.95Å; N20-F24 PolarHBondContact OD1-O 3.44Å; F24-E26 PolarHBondContact O-N 3.11Å; F24-I29 HydrophobicContact CB-CD1 4.47Å; F24-I29 HydrophobicContact CB-CG1 4.12Å; F24-L110 WeakPolarHBondContact CE1-O 3.24Å; F24-D111 VanDerWaalsContact CD1-C 3.43Å; F24-D111 WeakPolarHBondContact CD1-O 3.29Å
25	K	85.3	Confident	80.5	Confident	23 Å²	23	65.9 Å²	65.9	10%	0.1	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-67.3	129.9	172.9	-172.1	-178.5	173.7	-168.2	0	107.9	K17 W19 S27 H28 E52	K17-K25 HydrophobicContact CD-CD 4.37Å; W19-K25 HydrophobicContact CE3-CB 4.16Å; W19-K25 HydrophobicContact CH2-CB 4.33Å; W19-K25 HydrophobicContact CZ3-CB 4.03Å; K25-S27 WeakPolarHBondContact CD-OG 3.35Å; K25-S27 WeakPolarHBondContact CE-OG 3.28Å; K25-S27 WeakPolarHBondContact CG-OG 3.41Å; K25-S27 PolarHBondContact O-N 2.97Å; K25-H28 PolarHBondContact O-N 3.38Å; K25-E52 IonicContact NZ-OE1 2.82Å; K25-E52 PolarHBondContact NZ-OE1 3.36Å; K25-E52 IonicContact NZ-OE2 3.88Å; K25-E52 PolarHBondContact NZ-OE2 2.97Å
26	E	87.1	Confident	83.3	Confident	103 Å²	103	56.9 Å²	56.9	48%	0.481	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-55.1	-32.7	-175.5	-75.5	-178.5	-177.3	0	0	112.9	S18 F24 H28 I29	S18-E26 WeakPolarHBondContact CB-OE1 3.45Å; S18-E26 WeakPolarHBondContact CB-OE2 3.15Å; S18-E26 PolarHBondContact O-N 3.23Å; S18-E26 PolarHBondContact OG-OE2 2.98Å; F24-E26 PolarHBondContact O-N 3.11Å; E26-H28 PolarHBondContact O-N 3.19Å; E26-I29 HydrophobicContact CG-CD1 4.39Å; E26-I29 PolarHBondContact O-N 3.12Å
27	S	91	Very high	85.8	Confident	20 Å²	20	51.5 Å²	51.5	14%	0.14	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-65.3	-18.2	177.5	62.4	0	0	0	0	115.2	K25 Q51 E52	K25-S27 WeakPolarHBondContact CD-OG 3.35Å; K25-S27 WeakPolarHBondContact CE-OG 3.28Å; K25-S27 WeakPolarHBondContact CG-OG 3.41Å; K25-S27 PolarHBondContact O-N 2.97Å; S27-Q51 PolarHBondContact O-N 2.97Å; S27-E52 PolarHBondContact O-N 3Å
28	H	94.5	Very high	87.7	Confident	31 Å²	31	46.1 Å²	46.1	14%	0.144	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-99.3	-7	178.4	-61	165.7	0	0	0	112.9	K25 E26 P30 E52 T54 D111	K25-H28 PolarHBondContact O-N 3.38Å; E26-H28 PolarHBondContact O-N 3.19Å; H28-P30 WeakPolarHBondContact O-CD 3.47Å; H28-E52 IonicContact NE2-OE2 2.61Å; H28-E52 PolarHBondContact NE2-OE2 2.83Å; H28-T54 HydrophobicContact CB-CG2 3.97Å; H28-D111 HydrophobicContact CB-CB 3.92Å; H28-D111 WeakPolarHBondContact CB-O 3.04Å
29	I	95.5	Very high	88.8	Confident	41 Å²	41	51 Å²	51	21%	0.21	26%	0.255	C	S	.	.	S	Bend	trans	-76.5	125.4	179.7	-58.9	173	0	0	0	108.2	N20 F24 E26 E31	N20-I29 HydrophobicContact CB-CD1 3.7Å; N20-I29 WeakPolarHBondContact ND2-CD1 3.36Å; F24-I29 HydrophobicContact CB-CD1 4.47Å; F24-I29 HydrophobicContact CB-CG1 4.12Å; E26-I29 HydrophobicContact CG-CD1 4.39Å; E26-I29 PolarHBondContact O-N 3.12Å; I29-E31 PolarHBondContact O-N 3.09Å
30	P	98.1	Very high	89.7	Confident	10 Å²	10	49 Å²	49	7%	0.065	25%	0.252	C	S	.	.			trans	-57.4	129.5	173.3	-30	39.8	0	0	0	112.6	H28 W48 C107	H28-P30 WeakPolarHBondContact O-CD 3.47Å; P30-W48 HydrophobicContact CB-CB 4.37Å; P30-W48 VanDerWaalsContact CB-CD1 3.44Å; P30-W48 HydrophobicContact CB-CG 3.95Å; P30-C107 WeakPolarHBondContact CG-O 3.44Å
31	E	97.8	Very high	90	Very high	40 Å²	40	49.7 Å²	49.7	19%	0.187	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	175.7	169	57.8	165.6	-161.6	0	0	110.2	I29 V33 W48 V49 Q51 R185	I29-E31 PolarHBondContact O-N 3.09Å; E31-V33 PolarHBondContact O-N 3.44Å; E31-W48 WeakPolarHBondContact O-CB 3.15Å; E31-V49 PolarHBondContact N-O 3.03Å; E31-V49 PolarHBondContact O-N 3.3Å; E31-Q51 PolarHBondContact OE1-NE2 2.65Å; E31-R185 IonicContact OE1-NH1 2.58Å; E31-R185 PolarHBondContact OE1-NH1 2.9Å; E31-R185 WeakPolarHBondContact OE2-CD 3.31Å; E31-R185 IonicContact OE2-CZ 3.79Å; E31-R185 IonicContact OE2-NH1 3.46Å; E31-R185 PolarHBondContact OE2-NH1 3.13Å
32	Q	98.2	Very high	90.9	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.2	32.2	175.1	-55.2	175.9	45.1	0	0	112.3	H34 V49 D181 M184 R185	Q32-H34 PolarHBondContact O-N 3.27Å; Q32-H34 PolarHBondContact O-ND1 3.44Å; Q32-V49 HydrophobicContact CB-CB 4.44Å; Q32-V49 HydrophobicContact CB-CG2 4.39Å; Q32-D181 VanDerWaalsContact NE2-CG 3.35Å; Q32-D181 PolarHBondContact NE2-OD1 2.88Å; Q32-D181 PolarHBondContact OE1-OD1 3.32Å; Q32-M184 HydrophobicContact CB-CB 3.73Å; Q32-M184 HydrophobicContact CG-CB 3.59Å; Q32-R185 HydrophobicContact CG-CG 4.11Å
33	V	98.7	Very high	92	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	122.9	-174.9	-173.2	0	0	0	0	109.2	E31 I46 T47 W48 Y105 L117 Q188 S192	E31-V33 PolarHBondContact O-N 3.44Å; V33-I46 HydrophobicContact CG1-CG2 4.25Å; V33-T47 WeakPolarHBondContact CA-O 3.46Å; V33-W48 HydrophobicContact CG2-CB 4.02Å; V33-Y105 HydrophobicContact CG1-CE2 3.95Å; V33-L117 HydrophobicContact CB-CD1 3.92Å; V33-L117 HydrophobicContact CG1-CD1 3.67Å; V33-L117 HydrophobicContact CG2-CD1 4.11Å; V33-Q188 HydrophobicContact CB-CG 4.41Å; V33-S192 WeakPolarHBondContact O-CB 3.49Å; V33-S192 PolarHBondContact O-N 3.21Å
34	H	98.7	Very high	93.1	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.4	176.9	60.5	-78.6	0	0	0	111.5	Q32 T47 M184 A191 R215	Q32-H34 PolarHBondContact O-N 3.27Å; Q32-H34 PolarHBondContact O-ND1 3.44Å; H34-T47 VanDerWaalsContact CE1-CB 3.47Å; H34-T47 WeakPolarHBondContact CE1-CB 3.23Å; H34-T47 VanDerWaalsContact CE1-CG2 3.46Å; H34-T47 WeakPolarHBondContact CE1-CG2 3.4Å; H34-T47 PolarHBondContact N-O 3.17Å; H34-T47 PolarHBondContact ND1-O 2.62Å; H34-T47 WeakPolarHBondContact NE2-CB 3.36Å; H34-T47 PolarHBondContact O-N 3.21Å; H34-M184 WeakPolarHBondContact ND1-CE 3.42Å; H34-A191 CarbonylContact C-O 3.51Å; H34-A191 VanDerWaalsContact CA-O 3.27Å; H34-A191 WeakPolarHBondContact CA-O 3.32Å; H34-A191 HydrophobicContact CB-CB 3.54Å; H34-R215 PolarHBondContact CE1-O 2.84Å; H34-R215 PolarHBondContact NE2-O 3.22Å
35	I	98.6	Very high	93.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	146.2	-177.8	77.8	-166.1	0	0	0	110.3	I44 S45 I46 F119 A191 I194 P195 Y196	I35-I44 HydrophobicContact CB-CD1 3.78Å; I35-I44 HydrophobicContact CB-CG1 4.06Å; I35-I44 HydrophobicContact CD1-CD1 3.56Å; I35-I44 HydrophobicContact CG1-CD1 3.72Å; I35-I44 HydrophobicContact CG1-CG1 4.4Å; I35-S45 WeakPolarHBondContact CA-O 3.31Å; I35-I46 HydrophobicContact CG2-CG1 4Å; I35-F119 HydrophobicContact CD1-CB 3.59Å; I35-F119 HydrophobicContact CD1-CG 4.03Å; I35-A191 WeakPolarHBondContact CG1-O 3.45Å; I35-A191 PolarHBondContact N-O 3.02Å; I35-I194 WeakPolarHBondContact CG1-O 3.39Å; I35-P195 CarbonylContact O-C 3.49Å; I35-P195 WeakPolarHBondContact O-CA 3.47Å; I35-Y196 PolarHBondContact O-N 3.31Å
36	A	98.3	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	158.2	173	0	0	0	0	0	109.7	I44 S45 M197 T217 M218	A36-I44 WeakPolarHBondContact O-CA 3.15Å; A36-I44 WeakPolarHBondContact O-CG1 3.16Å; A36-S45 PolarHBondContact N-O 3.24Å; A36-S45 VanDerWaalsContact N-O 3.13Å; A36-S45 PolarHBondContact O-N 3.31Å; A36-S45 PolarHBondContact O-OG 3.11Å; A36-M197 HydrophobicContact CB-SD 3.98Å; A36-T217 VanDerWaalsContact CB-O 3.29Å; A36-T217 WeakPolarHBondContact CB-O 3.48Å; A36-M218 HydrophobicContact CB-CE 3.65Å; A36-M218 HydrophobicContact CB-SD 4.4Å
37	L	96.8	Very high	95.1	Very high	15 Å²	15	27.1 Å²	27.1	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	141.5	174.8	-62	179.9	0	0	0	109.8	L122 M161 P195 M197 P219 F230	L37-L122 HydrophobicContact CD2-CD1 3.91Å; L37-M161 HydrophobicContact CD1-SD 3.69Å; L37-M161 HydrophobicContact CG-SD 4.29Å; L37-P195 HydrophobicContact CD2-CB 3.95Å; L37-P195 HydrophobicContact CD2-CG 3.61Å; L37-P195 HydrophobicContact CG-CB 3.89Å; L37-P195 HydrophobicContact CG-CG 4.14Å; L37-M197 HydrophobicContact CB-CE 3.99Å; L37-M197 HydrophobicContact CB-SD 4Å; L37-M197 HydrophobicContact CD1-SD 4.42Å; L37-M197 HydrophobicContact CG-CE 4.43Å; L37-M197 HydrophobicContact CG-SD 3.96Å; L37-M197 PolarHBondContact N-SD 2.81Å; L37-M197 VanDerWaalsContact N-SD 3.42Å; L37-P219 WeakPolarHBondContact O-CD 3.4Å; L37-F230 HydrophobicContact CD1-CD2 3.62Å; L37-F230 HydrophobicContact CD1-CE2 3.92Å; L37-F230 HydrophobicContact CD1-CG 4.34Å
38	G	92.3	Very high	95.5	Very high	14 Å²	14	26.1 Å²	26.1	14%	0.144	14%	0.139	C	C	.	.			trans	-87.7	-173.1	168.2	0	0	0	0	0	112	Q40 T43	G38-Q40 PolarHBondContact O-N 2.82Å; G38-T43 VanDerWaalsContact C-OG1 3.32Å; G38-T43 WeakPolarHBondContact CA-OG1 3.26Å; G38-T43 PolarHBondContact N-O 2.82Å
39	E	86.5	Confident	95.7	Very high	149 Å²	149	24.8 Å²	24.8	70%	0.696	13%	0.133	S	C	*	.	S	Bend	trans	-64.6	-22.4	-178.2	-64.4	-176.8	178.8	0	0	113.6	T43 P219	E39-T43 PolarHBondContact N-OG1 3.45Å; E39-P219 HydrophobicContact CG-CB 4.36Å
40	Q	88.4	Confident	95.8	Very high	117 Å²	117	22.9 Å²	22.9	55%	0.547	12%	0.123	S	C	.	.	S	Bend	trans	-116.4	145.8	176.9	-60.8	-61.1	-42.1	0	0	110.2	G38 S42 T43	G38-Q40 PolarHBondContact O-N 2.82Å; Q40-S42 PolarHBondContact O-N 3.39Å; Q40-T43 HydrophobicContact CB-CG2 3.96Å; Q40-T43 PolarHBondContact N-OG1 3.29Å; Q40-T43 PolarHBondContact O-N 2.63Å; Q40-T43 PolarHBondContact O-OG1 3.02Å
41	P	84.4	Confident	95.7	Very high	55 Å²	55	25.3 Å²	25.3	36%	0.357	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.7	179.9	-26.8	34.6	0	0	0	115	T43	P41-T43 VanDerWaalsContact C-N 3.3Å
42	S	92.2	Very high	95.6	Very high	38 Å²	38	27.1 Å²	27.1	27%	0.266	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	8	176.8	57.7	0	0	0	0	114	Q40 D96 L97	Q40-S42 PolarHBondContact O-N 3.39Å; S42-D96 PolarHBondContact O-N 3.03Å; S42-L97 WeakPolarHBondContact O-CB 3.34Å; S42-L97 WeakPolarHBondContact O-CG 3.24Å; S42-L97 PolarHBondContact O-N 3.44Å; S42-L97 VanDerWaalsContact O-N 3.11Å
43	T	95.3	Very high	95.5	Very high	19 Å²	19	31.1 Å²	31.1	12%	0.117	16%	0.164	C	C	.	.			trans	-118.8	141.3	-177	63.4	0	0	0	0	111.6	G38 E39 Q40 P41 L94	G38-T43 VanDerWaalsContact C-OG1 3.32Å; G38-T43 WeakPolarHBondContact CA-OG1 3.26Å; G38-T43 PolarHBondContact N-O 2.82Å; E39-T43 PolarHBondContact N-OG1 3.45Å; Q40-T43 HydrophobicContact CB-CG2 3.96Å; Q40-T43 PolarHBondContact N-OG1 3.29Å; Q40-T43 PolarHBondContact O-N 2.63Å; Q40-T43 PolarHBondContact O-OG1 3.02Å; P41-T43 VanDerWaalsContact C-N 3.3Å; T43-L94 VanDerWaalsContact CA-O 3.26Å; T43-L94 WeakPolarHBondContact CA-O 3.5Å
44	I	97.4	Very high	95.3	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.036	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.2	173.8	-151.7	172.3	0	0	0	109.1	I35 A36 I46 I93 L94 L97 F119 P195	I35-I44 HydrophobicContact CB-CD1 3.78Å; I35-I44 HydrophobicContact CB-CG1 4.06Å; I35-I44 HydrophobicContact CD1-CD1 3.56Å; I35-I44 HydrophobicContact CG1-CD1 3.72Å; I35-I44 HydrophobicContact CG1-CG1 4.4Å; A36-I44 WeakPolarHBondContact O-CA 3.15Å; A36-I44 WeakPolarHBondContact O-CG1 3.16Å; I44-I46 HydrophobicContact CG2-CG1 4.36Å; I44-I93 WeakPolarHBondContact O-CA 3.48Å; I44-L94 HydrophobicContact CG2-CB 4.03Å; I44-L94 HydrophobicContact CG2-CD1 4.17Å; I44-L94 HydrophobicContact CG2-CG 4.15Å; I44-L94 PolarHBondContact N-O 3.48Å; I44-L94 PolarHBondContact O-N 3.37Å; I44-L97 HydrophobicContact CB-CD1 4.03Å; I44-L97 HydrophobicContact CG2-CD1 3.78Å; I44-F119 HydrophobicContact CD1-CD2 3.68Å; I44-F119 HydrophobicContact CD1-CE2 3.76Å; I44-F119 HydrophobicContact CD1-CG 4.17Å; I44-F119 HydrophobicContact CD1-CZ 4.28Å; I44-F119 HydrophobicContact CG2-CE1 4.36Å; I44-F119 HydrophobicContact CG2-CE2 4.11Å; I44-F119 HydrophobicContact CG2-CZ 3.78Å; I44-P195 HydrophobicContact CD1-CG 4.45Å
45	S	97.7	Very high	95.1	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.9	168.2	72.3	0	0	0	0	108.9	I35 A36 T217	I35-S45 WeakPolarHBondContact CA-O 3.31Å; A36-S45 PolarHBondContact N-O 3.24Å; A36-S45 VanDerWaalsContact N-O 3.13Å; A36-S45 PolarHBondContact O-N 3.31Å; A36-S45 PolarHBondContact O-OG 3.11Å; S45-T217 PolarHBondContact OG-O 3.2Å
46	I	98.5	Very high	95	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.9	170.3	-61.3	174.6	0	0	0	106.5	V33 I35 I44 W48 V59 V92 L94 Y105 C107	V33-I46 HydrophobicContact CG1-CG2 4.25Å; I35-I46 HydrophobicContact CG2-CG1 4Å; I44-I46 HydrophobicContact CG2-CG1 4.36Å; I46-W48 HydrophobicContact CG2-CE3 4.09Å; I46-W48 HydrophobicContact CG2-CZ3 4.26Å; I46-V59 HydrophobicContact CB-CG2 4.28Å; I46-V59 HydrophobicContact CD1-CG1 3.9Å; I46-V59 HydrophobicContact CD1-CG2 4.1Å; I46-V59 HydrophobicContact CG2-CG2 4.21Å; I46-V92 PolarHBondContact N-O 3.21Å; I46-V92 PolarHBondContact O-N 3.34Å; I46-L94 HydrophobicContact CD1-CD1 3.54Å; I46-L94 HydrophobicContact CD1-CD2 4.45Å; I46-L94 HydrophobicContact CD1-CG 3.88Å; I46-Y105 HydrophobicContact CD1-CD2 3.79Å; I46-Y105 HydrophobicContact CD1-CE2 4.02Å; I46-Y105 HydrophobicContact CD1-CG 4.22Å; I46-Y105 HydrophobicContact CG2-CD2 4.47Å; I46-Y105 HydrophobicContact CG2-CE2 4Å; I46-C107 HydrophobicContact CG2-CB 4.48Å
47	T	98.7	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.3	-177.9	-53.1	0	0	0	0	109.6	V33 H34 V89 H90 R91 T217	V33-T47 WeakPolarHBondContact CA-O 3.46Å; H34-T47 VanDerWaalsContact CE1-CB 3.47Å; H34-T47 WeakPolarHBondContact CE1-CB 3.23Å; H34-T47 VanDerWaalsContact CE1-CG2 3.46Å; H34-T47 WeakPolarHBondContact CE1-CG2 3.4Å; H34-T47 PolarHBondContact N-O 3.17Å; H34-T47 PolarHBondContact ND1-O 2.62Å; H34-T47 WeakPolarHBondContact NE2-CB 3.36Å; H34-T47 PolarHBondContact O-N 3.21Å; T47-V89 HydrophobicContact CG2-CG1 3.67Å; T47-H90 VanDerWaalsContact CA-O 3.26Å; T47-H90 WeakPolarHBondContact CA-O 3.47Å; T47-H90 WeakPolarHBondContact CG2-O 3.24Å; T47-R91 HydrophobicContact CG2-CG 4.05Å; T47-T217 WeakPolarHBondContact OG1-CB 3.19Å; T47-T217 PolarHBondContact OG1-OG1 3.32Å
48	W	98.7	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	168.7	176.2	71.3	91.2	0	0	0	111.1	P30 E31 V33 I46 V59 H90 V92 C107	P30-W48 HydrophobicContact CB-CB 4.37Å; P30-W48 VanDerWaalsContact CB-CD1 3.44Å; P30-W48 HydrophobicContact CB-CG 3.95Å; E31-W48 WeakPolarHBondContact O-CB 3.15Å; V33-W48 HydrophobicContact CG2-CB 4.02Å; I46-W48 HydrophobicContact CG2-CE3 4.09Å; I46-W48 HydrophobicContact CG2-CZ3 4.26Å; W48-V59 HydrophobicContact CH2-CG2 4.16Å; W48-V59 HydrophobicContact CZ3-CG2 3.87Å; W48-H90 AromaticContact CD1-CD2 3.63Å; W48-H90 AromaticContact CD1-CG 3.97Å; W48-H90 HydrophobicContact CD2-CB 3.51Å; W48-H90 AromaticContact CE2-CD2 3.98Å; W48-H90 AromaticContact CE2-CG 3.53Å; W48-H90 HydrophobicContact CE3-CB 3.93Å; W48-H90 HydrophobicContact CG-CB 4.05Å; W48-H90 HydrophobicContact CH2-CB 3.89Å; W48-H90 HydrophobicContact CZ2-CB 3.44Å; W48-H90 VanDerWaalsContact CZ2-CB 3.44Å; W48-H90 AromaticContact CZ2-CG 3.81Å; W48-H90 HydrophobicContact CZ3-CB 4.1Å; W48-H90 PolarHBondContact N-O 3.4Å; W48-H90 VanDerWaalsContact N-O 3.13Å; W48-H90 AromaticContact NE1-CD2 3.3Å; W48-H90 PolarHBondContact NE1-CD2 2.88Å; W48-H90 VanDerWaalsContact NE1-CD2 3.3Å; W48-H90 AromaticContact NE1-CG 3.33Å; W48-H90 VanDerWaalsContact NE1-CG 3.33Å; W48-H90 PolarHBondContact O-N 2.88Å; W48-V92 HydrophobicContact CH2-CB 4.48Å; W48-V92 HydrophobicContact CH2-CG2 3.5Å; W48-V92 VanDerWaalsContact CH2-CG2 3.5Å; W48-V92 HydrophobicContact CZ3-CB 4.18Å; W48-V92 HydrophobicContact CZ3-CG2 3.63Å; W48-C107 HydrophobicContact CD2-CB 3.78Å; W48-C107 HydrophobicContact CE3-CB 3.6Å; W48-C107 HydrophobicContact CH2-CB 3.88Å; W48-C107 HydrophobicContact CZ2-CB 4.07Å; W48-C107 HydrophobicContact CZ3-CB 3.66Å
49	V	98.4	Very high	95.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.8	179.2	176.1	0	0	0	0	110.7	E31 Q32 M87 Y88 V89	E31-V49 PolarHBondContact N-O 3.03Å; E31-V49 PolarHBondContact O-N 3.3Å; Q32-V49 HydrophobicContact CB-CB 4.44Å; Q32-V49 HydrophobicContact CB-CG2 4.39Å; V49-M87 HydrophobicContact CG1-CB 3.91Å; V49-M87 HydrophobicContact CG1-CG 4.41Å; V49-M87 HydrophobicContact CG1-SD 4.07Å; V49-M87 HydrophobicContact CG2-SD 4.48Å; V49-Y88 WeakPolarHBondContact CA-O 3.42Å; V49-V89 HydrophobicContact CG2-CG2 4.3Å
50	T	98.1	Very high	95.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.7	160.6	61.9	0	0	0	0	109.7	E52 T54 Y88 H90	T50-E52 PolarHBondContact OG1-O 3.11Å; T50-T54 HydrophobicContact CG2-CG2 4.21Å; T50-Y88 PolarHBondContact N-O 3.23Å; T50-Y88 PolarHBondContact O-N 3.01Å; T50-H90 PolarHBondContact OG1-NE2 3.21Å
51	Q	96	Very high	96.4	Very high	61 Å²	61	29.8 Å²	29.8	29%	0.285	16%	0.159	S	C	.	.	S	Bend	trans	-84.7	-17.7	-177.6	-58.6	-62.9	-36.6	0	0	112.1	S27 E31	S27-Q51 PolarHBondContact O-N 2.97Å; E31-Q51 PolarHBondContact OE1-NE2 2.65Å
52	E	95.4	Very high	97.1	Very high	78 Å²	78	27.2 Å²	27.2	36%	0.364	14%	0.142	S	C	.	.	S	Bend	trans	-133.3	152.3	172.7	-75.4	-178.4	-165.9	0	0	110.5	K25 S27 H28 T50	K25-E52 IonicContact NZ-OE1 2.82Å; K25-E52 PolarHBondContact NZ-OE1 3.36Å; K25-E52 IonicContact NZ-OE2 3.88Å; K25-E52 PolarHBondContact NZ-OE2 2.97Å; S27-E52 PolarHBondContact O-N 3Å; H28-E52 IonicContact NE2-OE2 2.61Å; H28-E52 PolarHBondContact NE2-OE2 2.83Å; T50-E52 PolarHBondContact OG1-O 3.11Å
53	N	95.9	Very high	97.3	Very high	87 Å²	87	28.5 Å²	28.5	47%	0.465	15%	0.149	S	C	.	.			trans	-60.3	142.2	-179.5	-163	27.2	0	0	0	111.1	Y88	N53-Y88 HydrophobicContact CB-CD1 3.76Å; N53-Y88 HydrophobicContact CB-CE1 3.43Å; N53-Y88 VanDerWaalsContact CB-CE1 3.43Å; N53-Y88 HydrophobicContact CB-CE2 4.3Å; N53-Y88 HydrophobicContact CB-CG 4.31Å; N53-Y88 VanDerWaalsContact N-CD2 3.33Å
54	T	95.5	Very high	97.2	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.067	18%	0.182	C	C	.	.			trans	-118.2	163.2	177.2	57.2	0	0	0	0	111	H28 T50 S56 H90 D111	H28-T54 HydrophobicContact CB-CG2 3.97Å; T50-T54 HydrophobicContact CG2-CG2 4.21Å; T54-S56 PolarHBondContact O-N 3.45Å; T54-H90 PolarHBondContact OG1-CE1 3.39Å; T54-D111 WeakPolarHBondContact CA-OD2 3.43Å; T54-D111 WeakPolarHBondContact CB-OD2 3.36Å; T54-D111 HydrophobicContact CG2-CB 4.12Å
55	E	93.6	Very high	97.1	Very high	146 Å²	146	42.2 Å²	42.2	68%	0.682	21%	0.212	S	C	*	.	S	Bend	trans	-59.4	-33.4	-175.8	-170.7	-172.7	-179.5	0	0	113.2	D111	E55-D111 PolarHBondContact N-OD2 3.42Å
56	S	96.4	Very high	97	Very high	40 Å²	40	44.5 Å²	44.5	28%	0.28	22%	0.223	S	C	.	.			trans	-157.1	156.9	-178.3	63.7	0	0	0	0	113.4	T54 T58 S109	T54-S56 PolarHBondContact O-N 3.45Å; S56-T58 PolarHBondContact OG-OG1 3.35Å; S56-T58 VanDerWaalsContact OG-OG1 3.11Å; S56-S109 WeakPolarHBondContact O-CB 3.1Å
57	S	98.3	Very high	96.9	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.028	26%	0.255	C	S	.	.			trans	-96.4	93.1	165.9	-57.3	0	0	0	0	109.3	T71 G72 Y73 H90 V92	S57-T71 WeakPolarHBondContact O-CA 3.4Å; S57-G72 PolarHBondContact O-N 2.47Å; S57-Y73 WeakPolarHBondContact CB-O 3.46Å; S57-Y73 PolarHBondContact OG-O 3.21Å; S57-H90 PolarHBondContact OG-ND1 2.63Å; S57-V92 WeakPolarHBondContact O-CG2 3.29Å
58	T	98.6	Very high	96.9	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.6	-177	-60.6	0	0	0	0	111.7	S56 L60 K69 C107 G108 W113	S56-T58 PolarHBondContact OG-OG1 3.35Å; S56-T58 VanDerWaalsContact OG-OG1 3.11Å; T58-L60 HydrophobicContact CG2-CD2 4.09Å; T58-L60 HydrophobicContact CG2-CG 4.4Å; T58-K69 HydrophobicContact CG2-CD 4.18Å; T58-K69 HydrophobicContact CG2-CG 3.83Å; T58-C107 CarbonylContact O-C 3.28Å; T58-C107 WeakPolarHBondContact O-CA 3.28Å; T58-G108 WeakPolarHBondContact CA-O 3.49Å; T58-G108 WeakPolarHBondContact CB-O 3.28Å; T58-G108 PolarHBondContact N-O 2.87Å; T58-G108 PolarHBondContact O-N 2.93Å; T58-G108 VanDerWaalsContact O-O 3.13Å; T58-W113 HydrophobicContact CG2-CH2 3.86Å; T58-W113 HydrophobicContact CG2-CZ3 4.37Å
59	V	98.7	Very high	96.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.5	163.7	176	0	0	0	0	109.1	I46 W48 Y61 K69 S70 V92 L94 Y105 K106 C107	I46-V59 HydrophobicContact CB-CG2 4.28Å; I46-V59 HydrophobicContact CD1-CG1 3.9Å; I46-V59 HydrophobicContact CD1-CG2 4.1Å; I46-V59 HydrophobicContact CG2-CG2 4.21Å; W48-V59 HydrophobicContact CH2-CG2 4.16Å; W48-V59 HydrophobicContact CZ3-CG2 3.87Å; V59-Y61 HydrophobicContact CG1-CD1 4.33Å; V59-K69 WeakPolarHBondContact O-CA 3.4Å; V59-S70 PolarHBondContact N-O 3.15Å; V59-S70 PolarHBondContact O-N 3.12Å; V59-V92 HydrophobicContact CB-CG1 4.04Å; V59-V92 HydrophobicContact CG2-CB 3.7Å; V59-V92 HydrophobicContact CG2-CG1 3.77Å; V59-V92 HydrophobicContact CG2-CG2 3.97Å; V59-L94 HydrophobicContact CB-CD2 4.13Å; V59-L94 HydrophobicContact CG1-CD1 4.39Å; V59-L94 HydrophobicContact CG1-CD2 3.99Å; V59-Y105 HydrophobicContact CG1-CD2 4.4Å; V59-K106 WeakPolarHBondContact CA-O 3.24Å; V59-C107 HydrophobicContact CG2-CB 4.02Å
60	L	98.5	Very high	96.8	Very high	39 Å²	39	61.3 Å²	61.3	20%	0.204	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.8	166.3	-59.5	-179.5	0	0	0	108.3	T58 L66 M68 K69 Y105 K106 W113	T58-L60 HydrophobicContact CG2-CD2 4.09Å; T58-L60 HydrophobicContact CG2-CG 4.4Å; L60-L66 HydrophobicContact CB-CB 4.23Å; L60-M68 WeakPolarHBondContact CA-O 3.31Å; L60-K69 HydrophobicContact CD2-CB 3.85Å; L60-K69 HydrophobicContact CD2-CD 4.33Å; L60-K69 HydrophobicContact CD2-CG 3.9Å; L60-Y105 CarbonylContact O-C 3.53Å; L60-Y105 WeakPolarHBondContact O-CA 3.5Å; L60-K106 HydrophobicContact CB-CG 4.26Å; L60-K106 PolarHBondContact N-O 3.41Å; L60-K106 PolarHBondContact O-N 3.43Å; L60-W113 HydrophobicContact CD1-CH2 3.67Å; L60-W113 HydrophobicContact CD1-CZ2 3.97Å; L60-W113 HydrophobicContact CD1-CZ3 4.06Å; L60-W113 HydrophobicContact CG-CH2 3.7Å; L60-W113 HydrophobicContact CG-CZ2 4.49Å; L60-W113 HydrophobicContact CG-CZ3 3.89Å
61	Y	98.6	Very high	96.8	Very high	27 Å²	27	65.4 Å²	65.4	11%	0.106	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	164.2	-171.5	70.5	-69.4	0	0	0	113.2	V59 N67 M68 L94 L97 Y103 Y104	V59-Y61 HydrophobicContact CG1-CD1 4.33Å; Y61-N67 PolarHBondContact O-N 3.24Å; Y61-M68 HydrophobicContact CD1-CB 3.81Å; Y61-M68 HydrophobicContact CD2-CB 4.35Å; Y61-M68 HydrophobicContact CD2-CE 3.61Å; Y61-M68 HydrophobicContact CE1-CB 3.47Å; Y61-M68 VanDerWaalsContact CE1-CB 3.47Å; Y61-M68 HydrophobicContact CE2-CB 4.07Å; Y61-M68 HydrophobicContact CE2-CE 3.49Å; Y61-M68 VanDerWaalsContact CE2-CE 3.49Å; Y61-M68 HydrophobicContact CE2-SD 3.98Å; Y61-M68 HydrophobicContact CG-CB 4.22Å; Y61-M68 HydrophobicContact CG-CE 4.37Å; Y61-M68 PolarHBondContact N-O 3.19Å; Y61-M68 WeakPolarHBondContact O-CB 3.3Å; Y61-M68 PolarHBondContact O-N 2.79Å; Y61-L94 HydrophobicContact CD1-CD1 4.4Å; Y61-L94 HydrophobicContact CD1-CD2 3.92Å; Y61-L94 HydrophobicContact CD2-CD1 3.84Å; Y61-L94 HydrophobicContact CE1-CD2 3.85Å; Y61-L94 HydrophobicContact CE2-CD1 4.23Å; Y61-L94 HydrophobicContact CE2-CD2 4.5Å; Y61-L94 HydrophobicContact CG-CD1 3.95Å; Y61-L94 HydrophobicContact CG-CD2 4.31Å; Y61-L97 HydrophobicContact CE2-CD2 4.27Å; Y61-Y103 AromaticContact CD2-CD1 3.85Å; Y61-Y103 HydrophobicContact CD2-CD1 3.85Å; Y61-Y103 HydrophobicContact CD2-CE1 4.23Å; Y61-Y103 HydrophobicContact CE2-CD1 4.41Å; Y61-Y103 HydrophobicContact CE2-CE1 4.35Å; Y61-Y104 CarbonylContact C-O 3.56Å; Y61-Y104 WeakPolarHBondContact CA-O 3.44Å; Y61-Y104 WeakPolarHBondContact CB-O 3.07Å
62	G	98.1	Very high	96.9	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	177.2	171.1	0	0	0	0	0	114.2	L65 M68 Y104	G62-L65 VanDerWaalsContact CA-O 3.26Å; G62-L65 WeakPolarHBondContact CA-O 2.94Å; G62-M68 VanDerWaalsContact CA-CE 3.46Å; G62-Y104 PolarHBondContact N-O 2.63Å; G62-Y104 PolarHBondContact O-N 2.93Å
63	T	97.1	Very high	97	Very high	65 Å²	65	67.2 Å²	67.2	40%	0.399	35%	0.346	S	S	.	.	S	Bend	trans	-89.3	-18.7	-169.5	60.5	0	0	0	0	113.7	T101 Y103	T63-T101 HydrophobicContact CG2-CG2 3.41Å; T63-T101 VanDerWaalsContact CG2-CG2 3.41Å; T63-Y103 HydrophobicContact CG2-CD1 4.06Å; T63-Y103 HydrophobicContact CG2-CE1 3.79Å
64	K	93.1	Very high	97.1	Very high	188 Å²	188	65.5 Å²	65.5	82%	0.817	34%	0.339	S	S	*	.	S	Bend	trans	-140.3	-39	176.7	-65.5	-175.9	-179.3	179.6	0	112.3
65	L	94.9	Very high	97.2	Very high	127 Å²	127	71 Å²	71	67%	0.665	36%	0.362	S	S	*	.	S	Bend	trans	-125.1	152.2	175.6	-62	175	0	0	0	108.7	G62 N67	G62-L65 VanDerWaalsContact CA-O 3.26Å; G62-L65 WeakPolarHBondContact CA-O 2.94Å; L65-N67 HydrophobicContact CB-CB 4.48Å; L65-N67 PolarHBondContact O-N 3.12Å; L65-N67 PolarHBondContact O-OD1 3.39Å
66	L	97.1	Very high	97.4	Very high	53 Å²	53	68 Å²	68	28%	0.277	35%	0.347	S	S	.	.			trans	-82.8	65.5	174.9	-56.1	179	0	0	0	110.3	L60 Y104 K106 V116	L60-L66 HydrophobicContact CB-CB 4.23Å; L66-Y104 VanDerWaalsContact CD2-O 3.24Å; L66-Y104 WeakPolarHBondContact CD2-O 3.33Å; L66-K106 HydrophobicContact CD1-CD 3.92Å; L66-K106 HydrophobicContact CD1-CG 3.93Å; L66-V116 HydrophobicContact CD1-CG2 4.03Å
67	N	96.4	Very high	97.5	Very high	126 Å²	126	67 Å²	67	67%	0.674	34%	0.338	S	S	*	.			trans	-104	-7.2	-172.7	67.7	-21.2	0	0	0	114.2	Y61 L65	Y61-N67 PolarHBondContact O-N 3.24Å; L65-N67 HydrophobicContact CB-CB 4.48Å; L65-N67 PolarHBondContact O-N 3.12Å; L65-N67 PolarHBondContact O-OD1 3.39Å
68	M	97.7	Very high	97.5	Very high	66 Å²	66	70 Å²	70	33%	0.325	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	151.8	170.9	-60.1	179.1	-71.5	0	0	110	L60 Y61 G62 Y103	L60-M68 WeakPolarHBondContact CA-O 3.31Å; Y61-M68 HydrophobicContact CD1-CB 3.81Å; Y61-M68 HydrophobicContact CD2-CB 4.35Å; Y61-M68 HydrophobicContact CD2-CE 3.61Å; Y61-M68 HydrophobicContact CE1-CB 3.47Å; Y61-M68 VanDerWaalsContact CE1-CB 3.47Å; Y61-M68 HydrophobicContact CE2-CB 4.07Å; Y61-M68 HydrophobicContact CE2-CE 3.49Å; Y61-M68 VanDerWaalsContact CE2-CE 3.49Å; Y61-M68 HydrophobicContact CE2-SD 3.98Å; Y61-M68 HydrophobicContact CG-CB 4.22Å; Y61-M68 HydrophobicContact CG-CE 4.37Å; Y61-M68 PolarHBondContact N-O 3.19Å; Y61-M68 WeakPolarHBondContact O-CB 3.3Å; Y61-M68 PolarHBondContact O-N 2.79Å; G62-M68 VanDerWaalsContact CA-CE 3.46Å; M68-Y103 HydrophobicContact CE-CD1 4.14Å; M68-Y103 HydrophobicContact CE-CE1 3.72Å
69	K	97.7	Very high	97.4	Very high	139 Å²	139	69.9 Å²	69.9	60%	0.604	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.7	-178.6	178.2	178.8	174.4	179.5	0	109.2	T58 V59 L60	T58-K69 HydrophobicContact CG2-CD 4.18Å; T58-K69 HydrophobicContact CG2-CG 3.83Å; V59-K69 WeakPolarHBondContact O-CA 3.4Å; L60-K69 HydrophobicContact CD2-CB 3.85Å; L60-K69 HydrophobicContact CD2-CD 4.33Å; L60-K69 HydrophobicContact CD2-CG 3.9Å
70	S	98.2	Very high	97.4	Very high	24 Å²	24	71.2 Å²	71.2	17%	0.168	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.2	164.8	-172.6	0	0	0	0	109.2	V59 V92 I93	V59-S70 PolarHBondContact N-O 3.15Å; V59-S70 PolarHBondContact O-N 3.12Å; S70-V92 WeakPolarHBondContact OG-CG1 3.47Å; S70-I93 PolarHBondContact OG-O 3.02Å
71	T	98.2	Very high	97.2	Very high	88 Å²	88	69.9 Å²	69.9	54%	0.54	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.7	177.1	54.3	0	0	0	0	109.1	S57	S57-T71 WeakPolarHBondContact O-CA 3.4Å
72	G	97.8	Very high	97.2	Very high	37 Å²	37	80.7 Å²	80.7	38%	0.381	40%	0.402	S	S	.	.			trans	-136.5	-140.6	176	0	0	0	0	0	110.8	S57 R91	S57-G72 PolarHBondContact O-N 2.47Å; G72-R91 VanDerWaalsContact CA-O 3.29Å; G72-R91 WeakPolarHBondContact CA-O 3.49Å
73	Y	97.6	Very high	97.1	Very high	139 Å²	139	85.8 Å²	85.8	55%	0.545	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	168.2	-174	65.3	-88.8	0	0	0	111.7	S57 H90 R91	S57-Y73 WeakPolarHBondContact CB-O 3.46Å; S57-Y73 PolarHBondContact OG-O 3.21Å; Y73-H90 WeakPolarHBondContact O-CA 3.42Å; Y73-R91 HydrophobicContact CE1-CB 4.04Å; Y73-R91 HydrophobicContact CE2-CB 4.3Å; Y73-R91 PolarHBondContact N-O 2.82Å; Y73-R91 PolarHBondContact O-N 3.32Å; Y73-R91 WeakPolarHBondContact OH-CD 3.2Å
74	V	97.8	Very high	97.1	Very high	52 Å²	52	87.5 Å²	87.5	32%	0.315	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.7	173.2	61	0	0	0	0	108.2	Y88 V89 H90	V74-Y88 HydrophobicContact CG2-CD1 4.2Å; V74-Y88 HydrophobicContact CG2-CG 4.47Å; V74-V89 WeakPolarHBondContact CA-O 2.94Å; V74-H90 VanDerWaalsContact CG2-CE1 3.42Å; V74-H90 WeakPolarHBondContact CG2-CE1 3.47Å
75	K	97.5	Very high	97.3	Very high	127 Å²	127	79.9 Å²	79.9	55%	0.552	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.5	172.1	-172.8	175.3	178.8	-178.6	0	108.5	F77 V89	K75-F77 PolarHBondContact O-N 3.08Å; K75-V89 PolarHBondContact N-O 3.07Å; K75-V89 PolarHBondContact O-N 3.3Å
76	E	98	Very high	97.4	Very high	81 Å²	81	78.6 Å²	78.6	38%	0.379	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.2	167.4	-174.2	-177	70.1	0	0	108	I78 K86 Y88	E76-I78 HydrophobicContact CG-CG1 4.25Å; E76-K86 IonicContact OE1-NZ 3.04Å; E76-K86 PolarHBondContact OE1-NZ 3.37Å; E76-K86 WeakPolarHBondContact OE2-CD 3.35Å; E76-K86 WeakPolarHBondContact OE2-CE 3.47Å; E76-K86 IonicContact OE2-NZ 2.92Å; E76-K86 PolarHBondContact OE2-NZ 2.98Å; E76-Y88 HydrophobicContact CB-CD1 4.32Å; E76-Y88 HydrophobicContact CB-CE1 4.12Å; E76-Y88 HydrophobicContact CG-CE1 4.1Å
77	F	97.7	Very high	97.4	Very high	19 Å²	19	76.1 Å²	76.1	8%	0.083	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.3	169.4	174.2	-103.9	0	0	0	109	K75 D79 K86 M87 V89 S210 N211 A214	K75-F77 PolarHBondContact O-N 3.08Å; F77-D79 HydrophobicContact CE1-CB 4.04Å; F77-K86 WeakPolarHBondContact O-CA 3.23Å; F77-M87 HydrophobicContact CB-CE 4.23Å; F77-M87 HydrophobicContact CB-CG 4.06Å; F77-M87 HydrophobicContact CD1-CE 3.07Å; F77-M87 HydrophobicContact CD1-CG 3.75Å; F77-M87 HydrophobicContact CD1-SD 4.13Å; F77-M87 HydrophobicContact CE1-CE 3.51Å; F77-M87 HydrophobicContact CG-CE 3.83Å; F77-M87 HydrophobicContact CG-CG 4.39Å; F77-M87 PolarHBondContact N-O 3.49Å; F77-M87 PolarHBondContact O-N 2.02Å; F77-V89 HydrophobicContact CB-CG2 4.27Å; F77-S210 WeakPolarHBondContact CE2-O 3.17Å; F77-N211 HydrophobicContact CZ-CB 4.38Å; F77-A214 HydrophobicContact CB-CB 4.16Å; F77-A214 HydrophobicContact CD1-CB 4.48Å; F77-A214 HydrophobicContact CD2-CB 3.23Å; F77-A214 HydrophobicContact CE2-CB 3.62Å; F77-A214 HydrophobicContact CG-CB 3.7Å; F77-A214 HydrophobicContact CZ-CB 4.36Å
78	I	98	Very high	97.5	Very high	69 Å²	69	72.1 Å²	72.1	35%	0.354	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.2	175.8	-51.7	-175.7	0	0	0	106.6	E76 Q84 K86	E76-I78 HydrophobicContact CG-CG1 4.25Å; I78-Q84 HydrophobicContact CG2-CB 3.89Å; I78-K86 HydrophobicContact CG1-CG 4.27Å
79	D	97.9	Very high	97.5	Very high	1 Å²	1	69 Å²	69	1%	0.005	33%	0.332	C	S	.	.			trans	-67	147.6	176.5	-179.5	64.8	0	0	0	111.4	F77 G81 Q84 R85 N176 A177 N211	F77-D79 HydrophobicContact CE1-CB 4.04Å; D79-G81 PolarHBondContact O-N 3.36Å; D79-G81 WeakPolarHBondContact OD2-CA 3.07Å; D79-G81 PolarHBondContact OD2-N 3.37Å; D79-Q84 WeakPolarHBondContact O-CA 2.97Å; D79-Q84 PolarHBondContact O-NE2 2.81Å; D79-Q84 VanDerWaalsContact O-NE2 3.08Å; D79-R85 PolarHBondContact N-O 3.31Å; D79-N176 VanDerWaalsContact OD2-CA 3.29Å; D79-N176 WeakPolarHBondContact OD2-CA 3.38Å; D79-A177 HydrophobicContact CB-CB 3.86Å; D79-N211 PolarHBondContact OD1-ND2 2.92Å
80	G	97	Very high	97.6	Very high	29 Å²	29	62.4 Å²	62.4	30%	0.299	30%	0.304	S	S	.	.	S	Bend	trans	-74.6	-6.8	-179	0	0	0	0	0	114.7	Q84 Y207	G80-Q84 PolarHBondContact O-NE2 3.08Å; G80-Y207 VanDerWaalsContact CA-CE2 3.45Å
81	G	96.1	Very high	97.6	Very high	10 Å²	10	62.2 Å²	62.2	10%	0.103	30%	0.299	C	S	.	.	S	Bend	trans	-65.1	173	178.8	0	0	0	0	0	114.3	D79 E83 Q84 Y207	D79-G81 PolarHBondContact O-N 3.36Å; D79-G81 WeakPolarHBondContact OD2-CA 3.07Å; D79-G81 PolarHBondContact OD2-N 3.37Å; G81-E83 VanDerWaalsContact C-N 3.26Å; G81-E83 PolarHBondContact O-N 2.87Å; G81-Q84 PolarHBondContact O-N 3.41Å; G81-Q84 PolarHBondContact O-NE2 2.94Å; G81-Y207 PolarHBondContact N-OH 3.2Å
82	R	96.7	Very high	97.6	Very high	254 Å²	254	58.1 Å²	58.1	96%	0.958	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-31	-173.8	-66.8	-178.3	-178.8	177.2	1.6	113.5	Q84 N176	R82-Q84 VanDerWaalsContact C-N 3.27Å; R82-N176 PolarHBondContact N-OD1 2.75Å; R82-N176 VanDerWaalsContact N-OD1 3.11Å
83	E	97.2	Very high	97.6	Very high	107 Å²	107	60.9 Å²	60.9	50%	0.5	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-14.8	177.6	-66.2	179.9	-147	0	0	112.9	G81 R85 N176 R178	G81-E83 VanDerWaalsContact C-N 3.26Å; G81-E83 PolarHBondContact O-N 2.87Å; E83-R85 HydrophobicContact CB-CB 4.46Å; E83-R85 PolarHBondContact O-N 3.46Å; E83-N176 HydrophobicContact CB-CB 4.12Å; E83-N176 WeakPolarHBondContact CB-OD1 3.46Å; E83-N176 HydrophobicContact CG-CB 4.45Å; E83-N176 PolarHBondContact N-OD1 2.86Å; E83-N176 PolarHBondContact OE1-ND2 2.88Å; E83-R178 IonicContact OE1-CZ 2.61Å; E83-R178 IonicContact OE1-NH1 3.67Å; E83-R178 PolarHBondContact OE1-NH1 3.49Å; E83-R178 IonicContact OE1-NH2 3.38Å; E83-R178 IonicContact OE2-CZ 3.31Å; E83-R178 IonicContact OE2-NH1 3.61Å; E83-R178 PolarHBondContact OE2-NH1 3.3Å; E83-R178 VanDerWaalsContact OE2-NH1 3.13Å; E83-R178 IonicContact OE2-NH2 3.59Å; E83-R178 PolarHBondContact OE2-NH2 2.85Å
84	Q	96.3	Very high	97.6	Very high	102 Å²	102	54.3 Å²	54.3	48%	0.477	25%	0.253	S	S	.	.			trans	47.8	45.8	-171.5	-65.7	-71.4	-68.2	0	0	110.7	I78 D79 G80 G81 R82 K86	I78-Q84 HydrophobicContact CG2-CB 3.89Å; D79-Q84 WeakPolarHBondContact O-CA 2.97Å; D79-Q84 PolarHBondContact O-NE2 2.81Å; D79-Q84 VanDerWaalsContact O-NE2 3.08Å; G80-Q84 PolarHBondContact O-NE2 3.08Å; G81-Q84 PolarHBondContact O-N 3.41Å; G81-Q84 PolarHBondContact O-NE2 2.94Å; R82-Q84 VanDerWaalsContact C-N 3.27Å; Q84-K86 PolarHBondContact O-N 3.29Å
85	R	97.2	Very high	97.5	Very high	28 Å²	28	54.4 Å²	54.4	11%	0.106	26%	0.256	C	S	.	.			trans	-62.2	133.9	-170.7	179.9	177.7	147.2	-105.1	-10.4	109.5	D79 E83 N176 A177 D181	D79-R85 PolarHBondContact N-O 3.31Å; E83-R85 HydrophobicContact CB-CB 4.46Å; E83-R85 PolarHBondContact O-N 3.46Å; R85-N176 HydrophobicContact CB-CB 4.12Å; R85-N176 WeakPolarHBondContact CD-O 3.38Å; R85-N176 PolarHBondContact NH1-O 2.77Å; R85-A177 PolarHBondContact NH1-O 3.08Å; R85-D181 IonicContact CZ-OD2 2.71Å; R85-D181 IonicContact NH1-OD2 3.78Å; R85-D181 PolarHBondContact NH1-OD2 3.23Å; R85-D181 IonicContact NH2-OD1 2.8Å; R85-D181 IonicContact NH2-OD2 3.27Å; R85-D181 PolarHBondContact NH2-OD2 3.35Å
86	K	97.3	Very high	97.3	Very high	100 Å²	100	55 Å²	55	44%	0.435	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	142.8	-179.7	-59.7	-174.7	162.9	-148.7	0	111.3	E76 F77 I78 Q84	E76-K86 IonicContact OE1-NZ 3.04Å; E76-K86 PolarHBondContact OE1-NZ 3.37Å; E76-K86 WeakPolarHBondContact OE2-CD 3.35Å; E76-K86 WeakPolarHBondContact OE2-CE 3.47Å; E76-K86 IonicContact OE2-NZ 2.92Å; E76-K86 PolarHBondContact OE2-NZ 2.98Å; F77-K86 WeakPolarHBondContact O-CA 3.23Å; I78-K86 HydrophobicContact CG1-CG 4.27Å; Q84-K86 PolarHBondContact O-N 3.29Å
87	M	97.1	Very high	97.2	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	160.8	163.9	60.5	176.4	-173.7	0	0	110	V49 F77 V89 R215	V49-M87 HydrophobicContact CG1-CB 3.91Å; V49-M87 HydrophobicContact CG1-CG 4.41Å; V49-M87 HydrophobicContact CG1-SD 4.07Å; V49-M87 HydrophobicContact CG2-SD 4.48Å; F77-M87 HydrophobicContact CB-CE 4.23Å; F77-M87 HydrophobicContact CB-CG 4.06Å; F77-M87 HydrophobicContact CD1-CE 3.07Å; F77-M87 HydrophobicContact CD1-CG 3.75Å; F77-M87 HydrophobicContact CD1-SD 4.13Å; F77-M87 HydrophobicContact CE1-CE 3.51Å; F77-M87 HydrophobicContact CG-CE 3.83Å; F77-M87 HydrophobicContact CG-CG 4.39Å; F77-M87 PolarHBondContact N-O 3.49Å; F77-M87 PolarHBondContact O-N 2.02Å; M87-V89 HydrophobicContact CE-CG2 4.35Å; M87-R215 HydrophobicContact CE-CG 3.95Å; M87-R215 PolarHBondContact SD-NH2 3.09Å
88	Y	98.3	Very high	97.2	Very high	41 Å²	41	56 Å²	56	16%	0.161	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112	-174.8	-64.5	-93.7	0	0	0	108.7	V49 T50 N53 V74 E76 H90	V49-Y88 WeakPolarHBondContact CA-O 3.42Å; T50-Y88 PolarHBondContact N-O 3.23Å; T50-Y88 PolarHBondContact O-N 3.01Å; N53-Y88 HydrophobicContact CB-CD1 3.76Å; N53-Y88 HydrophobicContact CB-CE1 3.43Å; N53-Y88 VanDerWaalsContact CB-CE1 3.43Å; N53-Y88 HydrophobicContact CB-CE2 4.3Å; N53-Y88 HydrophobicContact CB-CG 4.31Å; N53-Y88 VanDerWaalsContact N-CD2 3.33Å; V74-Y88 HydrophobicContact CG2-CD1 4.2Å; V74-Y88 HydrophobicContact CG2-CG 4.47Å; E76-Y88 HydrophobicContact CB-CD1 4.32Å; E76-Y88 HydrophobicContact CB-CE1 4.12Å; E76-Y88 HydrophobicContact CG-CE1 4.1Å; Y88-H90 PolarHBondContact O-CD2 3.24Å; Y88-H90 VanDerWaalsContact O-CD2 3.22Å
89	V	98.4	Very high	97.1	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.7	-178.2	-167.4	0	0	0	0	109.3	T47 V49 V74 K75 F77 M87 R91 A214	T47-V89 HydrophobicContact CG2-CG1 3.67Å; V49-V89 HydrophobicContact CG2-CG2 4.3Å; V74-V89 WeakPolarHBondContact CA-O 2.94Å; K75-V89 PolarHBondContact N-O 3.07Å; K75-V89 PolarHBondContact O-N 3.3Å; F77-V89 HydrophobicContact CB-CG2 4.27Å; M87-V89 HydrophobicContact CE-CG2 4.35Å; V89-R91 VanDerWaalsContact CG1-NH1 3.28Å; V89-A214 WeakPolarHBondContact CG1-O 3.12Å
90	H	98.6	Very high	96.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.6	-177.9	-59.7	-94.8	0	0	0	110.2	T47 W48 T50 T54 S57 Y73 V74 Y88	T47-H90 VanDerWaalsContact CA-O 3.26Å; T47-H90 WeakPolarHBondContact CA-O 3.47Å; T47-H90 WeakPolarHBondContact CG2-O 3.24Å; W48-H90 AromaticContact CD1-CD2 3.63Å; W48-H90 AromaticContact CD1-CG 3.97Å; W48-H90 HydrophobicContact CD2-CB 3.51Å; W48-H90 AromaticContact CE2-CD2 3.98Å; W48-H90 AromaticContact CE2-CG 3.53Å; W48-H90 HydrophobicContact CE3-CB 3.93Å; W48-H90 HydrophobicContact CG-CB 4.05Å; W48-H90 HydrophobicContact CH2-CB 3.89Å; W48-H90 HydrophobicContact CZ2-CB 3.44Å; W48-H90 VanDerWaalsContact CZ2-CB 3.44Å; W48-H90 AromaticContact CZ2-CG 3.81Å; W48-H90 HydrophobicContact CZ3-CB 4.1Å; W48-H90 PolarHBondContact N-O 3.4Å; W48-H90 VanDerWaalsContact N-O 3.13Å; W48-H90 AromaticContact NE1-CD2 3.3Å; W48-H90 PolarHBondContact NE1-CD2 2.88Å; W48-H90 VanDerWaalsContact NE1-CD2 3.3Å; W48-H90 AromaticContact NE1-CG 3.33Å; W48-H90 VanDerWaalsContact NE1-CG 3.33Å; W48-H90 PolarHBondContact O-N 2.88Å; T50-H90 PolarHBondContact OG1-NE2 3.21Å; T54-H90 PolarHBondContact OG1-CE1 3.39Å; S57-H90 PolarHBondContact OG-ND1 2.63Å; Y73-H90 WeakPolarHBondContact O-CA 3.42Å; V74-H90 VanDerWaalsContact CG2-CE1 3.42Å; V74-H90 WeakPolarHBondContact CG2-CE1 3.47Å; Y88-H90 PolarHBondContact O-CD2 3.24Å; Y88-H90 VanDerWaalsContact O-CD2 3.22Å
91	R	98.3	Very high	96.9	Very high	20 Å²	20	56.8 Å²	56.8	8%	0.075	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.8	179.2	-70.7	172.9	171.2	79.6	-0.4	110.1	T47 G72 Y73 V89 A214 F216 T217	T47-R91 HydrophobicContact CG2-CG 4.05Å; G72-R91 VanDerWaalsContact CA-O 3.29Å; G72-R91 WeakPolarHBondContact CA-O 3.49Å; Y73-R91 HydrophobicContact CE1-CB 4.04Å; Y73-R91 HydrophobicContact CE2-CB 4.3Å; Y73-R91 PolarHBondContact N-O 2.82Å; Y73-R91 PolarHBondContact O-N 3.32Å; Y73-R91 WeakPolarHBondContact OH-CD 3.2Å; V89-R91 VanDerWaalsContact CG1-NH1 3.28Å; R91-A214 PolarHBondContact NH1-O 2.92Å; R91-A214 PolarHBondContact NH2-O 2.99Å; R91-F216 PolarHBondContact NH2-O 2.96Å; R91-T217 WeakPolarHBondContact CD-OG1 3.48Å; R91-T217 PolarHBondContact NE-OG1 2.99Å
92	V	98.4	Very high	96.9	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.5	175.5	180	0	0	0	0	109.1	I46 W48 S57 V59 S70 L94	I46-V92 PolarHBondContact N-O 3.21Å; I46-V92 PolarHBondContact O-N 3.34Å; W48-V92 HydrophobicContact CH2-CB 4.48Å; W48-V92 HydrophobicContact CH2-CG2 3.5Å; W48-V92 VanDerWaalsContact CH2-CG2 3.5Å; W48-V92 HydrophobicContact CZ3-CB 4.18Å; W48-V92 HydrophobicContact CZ3-CG2 3.63Å; S57-V92 WeakPolarHBondContact O-CG2 3.29Å; V59-V92 HydrophobicContact CB-CG1 4.04Å; V59-V92 HydrophobicContact CG2-CB 3.7Å; V59-V92 HydrophobicContact CG2-CG1 3.77Å; V59-V92 HydrophobicContact CG2-CG2 3.97Å; S70-V92 WeakPolarHBondContact OG-CG1 3.47Å; V92-L94 HydrophobicContact CG1-CD2 4.23Å
93	I	97.6	Very high	97	Very high	96 Å²	96	47.4 Å²	47.4	49%	0.492	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.2	173.9	-60.8	174.8	0	0	0	108.2	I44 S70	I44-I93 WeakPolarHBondContact O-CA 3.48Å; S70-I93 PolarHBondContact OG-O 3.02Å
94	L	97.8	Very high	97.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.3	164.1	-46	-175.8	0	0	0	107.9	T43 I44 I46 V59 Y61 V92 L97 F119	T43-L94 VanDerWaalsContact CA-O 3.26Å; T43-L94 WeakPolarHBondContact CA-O 3.5Å; I44-L94 HydrophobicContact CG2-CB 4.03Å; I44-L94 HydrophobicContact CG2-CD1 4.17Å; I44-L94 HydrophobicContact CG2-CG 4.15Å; I44-L94 PolarHBondContact N-O 3.48Å; I44-L94 PolarHBondContact O-N 3.37Å; I46-L94 HydrophobicContact CD1-CD1 3.54Å; I46-L94 HydrophobicContact CD1-CD2 4.45Å; I46-L94 HydrophobicContact CD1-CG 3.88Å; V59-L94 HydrophobicContact CB-CD2 4.13Å; V59-L94 HydrophobicContact CG1-CD1 4.39Å; V59-L94 HydrophobicContact CG1-CD2 3.99Å; Y61-L94 HydrophobicContact CD1-CD1 4.4Å; Y61-L94 HydrophobicContact CD1-CD2 3.92Å; Y61-L94 HydrophobicContact CD2-CD1 3.84Å; Y61-L94 HydrophobicContact CE1-CD2 3.85Å; Y61-L94 HydrophobicContact CE2-CD1 4.23Å; Y61-L94 HydrophobicContact CE2-CD2 4.5Å; Y61-L94 HydrophobicContact CG-CD1 3.95Å; Y61-L94 HydrophobicContact CG-CD2 4.31Å; V92-L94 HydrophobicContact CG1-CD2 4.23Å; L94-L97 HydrophobicContact CB-CD1 4.38Å; L94-L97 HydrophobicContact CB-CD2 4.12Å; L94-L97 HydrophobicContact CB-CG 4.43Å; L94-F119 HydrophobicContact CD1-CE1 4.12Å; L94-F119 HydrophobicContact CD1-CZ 4.1Å
95	S	95.7	Very high	97.2	Very high	54 Å²	54	42.2 Å²	42.2	38%	0.378	22%	0.224	S	C	.	.			trans	-118.1	167.8	-179.3	-55.4	0	0	0	0	110.6	L97	S95-L97 PolarHBondContact O-N 3.48Å
96	D	94.2	Very high	97.2	Very high	140 Å²	140	43.3 Å²	43.3	75%	0.749	23%	0.23	S	C	*	.	S	Bend	trans	56.1	34.2	175.8	-52.4	-46.8	0	0	0	113.5	S42	S42-D96 PolarHBondContact O-N 3.03Å
97	L	96.5	Very high	97.3	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.068	21%	0.209	C	C	.	.			trans	-68.5	136	177.2	-61.6	173	0	0	0	110.4	S42 I44 Y61 L94 S95 A99 Y103 F119 A121	S42-L97 WeakPolarHBondContact O-CB 3.34Å; S42-L97 WeakPolarHBondContact O-CG 3.24Å; S42-L97 PolarHBondContact O-N 3.44Å; S42-L97 VanDerWaalsContact O-N 3.11Å; I44-L97 HydrophobicContact CB-CD1 4.03Å; I44-L97 HydrophobicContact CG2-CD1 3.78Å; Y61-L97 HydrophobicContact CE2-CD2 4.27Å; L94-L97 HydrophobicContact CB-CD1 4.38Å; L94-L97 HydrophobicContact CB-CD2 4.12Å; L94-L97 HydrophobicContact CB-CG 4.43Å; S95-L97 PolarHBondContact O-N 3.48Å; L97-A99 PolarHBondContact O-N 3.34Å; L97-Y103 HydrophobicContact CB-CE2 4.12Å; L97-Y103 HydrophobicContact CD2-CD1 4.25Å; L97-Y103 HydrophobicContact CD2-CD2 4.04Å; L97-Y103 HydrophobicContact CD2-CE1 3.96Å; L97-Y103 HydrophobicContact CD2-CE2 3.75Å; L97-Y103 HydrophobicContact CD2-CG 4.27Å; L97-F119 HydrophobicContact CD1-CE2 3.88Å; L97-F119 HydrophobicContact CD1-CZ 3.94Å; L97-F119 HydrophobicContact CD2-CZ 4.35Å; L97-A121 HydrophobicContact CB-CB 3.92Å; L97-A121 HydrophobicContact CD1-CB 4.44Å
98	I	96.2	Very high	97.3	Very high	109 Å²	109	38.6 Å²	38.6	56%	0.559	21%	0.209	S	C	*	.			trans	-78.1	116	177.1	-57.3	171	0	0	0	108.2	T101 Y103 A121	I98-T101 WeakPolarHBondContact CB-OG1 3.46Å; I98-T101 WeakPolarHBondContact CG2-OG1 3.32Å; I98-T101 WeakPolarHBondContact O-CB 3.37Å; I98-T101 PolarHBondContact O-N 3Å; I98-T101 VanDerWaalsContact O-N 3.14Å; I98-T101 PolarHBondContact O-OG1 3.43Å; I98-T101 VanDerWaalsContact O-OG1 3.04Å; I98-Y103 PolarHBondContact N-OH 3.07Å; I98-A121 WeakPolarHBondContact O-CB 3.33Å
99	A	95.8	Very high	97.2	Very high	45 Å²	45	36.7 Å²	36.7	37%	0.372	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	137.5	176.7	0	0	0	0	0	113.1	L97 T101	L97-A99 PolarHBondContact O-N 3.34Å; A99-T101 PolarHBondContact O-N 2.98Å
100	G	93.9	Very high	97	Very high	33 Å²	33	42.8 Å²	42.8	34%	0.34	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-4.9	178.5	0	0	0	0	0	115.3	R120 A121	G100-R120 PolarHBondContact O-NH1 3.43Å; G100-A121 VanDerWaalsContact CA-O 3.31Å; G100-A121 WeakPolarHBondContact CA-O 3.5Å; G100-A121 PolarHBondContact N-O 3.3Å
101	T	96.5	Very high	96.7	Very high	37 Å²	37	45.2 Å²	45.2	23%	0.227	25%	0.247	C	C	.	.			trans	-84.9	139.2	-175.4	-56.6	0	0	0	0	111.5	T63 I98 A99 Y103 R120 A121	T63-T101 HydrophobicContact CG2-CG2 3.41Å; T63-T101 VanDerWaalsContact CG2-CG2 3.41Å; I98-T101 WeakPolarHBondContact CB-OG1 3.46Å; I98-T101 WeakPolarHBondContact CG2-OG1 3.32Å; I98-T101 WeakPolarHBondContact O-CB 3.37Å; I98-T101 PolarHBondContact O-N 3Å; I98-T101 VanDerWaalsContact O-N 3.14Å; I98-T101 PolarHBondContact O-OG1 3.43Å; I98-T101 VanDerWaalsContact O-OG1 3.04Å; A99-T101 PolarHBondContact O-N 2.98Å; T101-Y103 HydrophobicContact CG2-CD2 4.34Å; T101-Y103 HydrophobicContact CG2-CE2 3.96Å; T101-R120 WeakPolarHBondContact O-CA 3.24Å; T101-A121 PolarHBondContact O-N 2.95Å
102	I	97.2	Very high	96.5	Very high	58 Å²	58	44.3 Å²	44.3	30%	0.297	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.4	170.6	-59.8	174.8	0	0	0	108.6	Y104 N118 F119	I102-Y104 HydrophobicContact CG2-CE2 4.24Å; I102-N118 HydrophobicContact CG2-CB 4.25Å; I102-F119 WeakPolarHBondContact CA-O 3.46Å
103	Y	98.4	Very high	96.4	Very high	8 Å²	8	46.4 Å²	46.4	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.6	171.3	-73.8	-91.8	0	0	0	109.3	Y61 T63 M68 L97 I98 T101 N118 F119 A121	Y61-Y103 AromaticContact CD2-CD1 3.85Å; Y61-Y103 HydrophobicContact CD2-CD1 3.85Å; Y61-Y103 HydrophobicContact CD2-CE1 4.23Å; Y61-Y103 HydrophobicContact CE2-CD1 4.41Å; Y61-Y103 HydrophobicContact CE2-CE1 4.35Å; T63-Y103 HydrophobicContact CG2-CD1 4.06Å; T63-Y103 HydrophobicContact CG2-CE1 3.79Å; M68-Y103 HydrophobicContact CE-CD1 4.14Å; M68-Y103 HydrophobicContact CE-CE1 3.72Å; L97-Y103 HydrophobicContact CB-CE2 4.12Å; L97-Y103 HydrophobicContact CD2-CD1 4.25Å; L97-Y103 HydrophobicContact CD2-CD2 4.04Å; L97-Y103 HydrophobicContact CD2-CE1 3.96Å; L97-Y103 HydrophobicContact CD2-CE2 3.75Å; L97-Y103 HydrophobicContact CD2-CG 4.27Å; I98-Y103 PolarHBondContact N-OH 3.07Å; T101-Y103 HydrophobicContact CG2-CD2 4.34Å; T101-Y103 HydrophobicContact CG2-CE2 3.96Å; Y103-N118 WeakPolarHBondContact O-CA 3.36Å; Y103-N118 WeakPolarHBondContact O-CB 3.47Å; Y103-F119 HydrophobicContact CD2-CE2 4.35Å; Y103-F119 HydrophobicContact CD2-CZ 4.31Å; Y103-F119 HydrophobicContact CG-CZ 4.25Å; Y103-F119 PolarHBondContact N-O 3.48Å; Y103-F119 PolarHBondContact O-N 3.38Å; Y103-A121 HydrophobicContact CD2-CB 4.3Å; Y103-A121 HydrophobicContact CE2-CB 4.13Å
104	Y	98.6	Very high	96.4	Very high	101 Å²	101	42.5 Å²	42.5	40%	0.396	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	143.3	163.7	-60.9	-90.2	0	0	0	108.3	Y61 G62 L66 I102 V116 L117 N118	Y61-Y104 CarbonylContact C-O 3.56Å; Y61-Y104 WeakPolarHBondContact CA-O 3.44Å; Y61-Y104 WeakPolarHBondContact CB-O 3.07Å; G62-Y104 PolarHBondContact N-O 2.63Å; G62-Y104 PolarHBondContact O-N 2.93Å; L66-Y104 VanDerWaalsContact CD2-O 3.24Å; L66-Y104 WeakPolarHBondContact CD2-O 3.33Å; I102-Y104 HydrophobicContact CG2-CE2 4.24Å; Y104-V116 HydrophobicContact CD1-CG1 4.26Å; Y104-L117 CarbonylContact C-O 3.54Å; Y104-L117 VanDerWaalsContact CA-O 3.31Å; Y104-L117 WeakPolarHBondContact CA-O 3.19Å; Y104-N118 HydrophobicContact CD1-CB 3.91Å; Y104-N118 HydrophobicContact CE1-CB 4.18Å; Y104-N118 HydrophobicContact CG-CB 4.47Å
105	Y	98.7	Very high	96.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	157.6	179.2	73.5	-79.4	0	0	0	111.9	V33 I46 V59 L60 V116 L117 F119 S192	V33-Y105 HydrophobicContact CG1-CE2 3.95Å; I46-Y105 HydrophobicContact CD1-CD2 3.79Å; I46-Y105 HydrophobicContact CD1-CE2 4.02Å; I46-Y105 HydrophobicContact CD1-CG 4.22Å; I46-Y105 HydrophobicContact CG2-CD2 4.47Å; I46-Y105 HydrophobicContact CG2-CE2 4Å; V59-Y105 HydrophobicContact CG1-CD2 4.4Å; L60-Y105 CarbonylContact O-C 3.53Å; L60-Y105 WeakPolarHBondContact O-CA 3.5Å; Y105-V116 CarbonylContact O-C 3.55Å; Y105-V116 WeakPolarHBondContact O-CA 3.28Å; Y105-L117 HydrophobicContact CD1-CB 3.93Å; Y105-L117 HydrophobicContact CD2-CB 4.44Å; Y105-L117 HydrophobicContact CE1-CB 3.37Å; Y105-L117 HydrophobicContact CE2-CB 3.96Å; Y105-L117 HydrophobicContact CE2-CD1 3.85Å; Y105-L117 HydrophobicContact CG-CB 4.44Å; Y105-L117 PolarHBondContact N-O 3.36Å; Y105-L117 PolarHBondContact O-N 3.18Å; Y105-F119 AromaticContact CD1-CD1 3.68Å; Y105-F119 HydrophobicContact CD1-CD1 3.68Å; Y105-F119 HydrophobicContact CD1-CE1 4.04Å; Y105-F119 AromaticContact CE1-CD1 3.7Å; Y105-F119 HydrophobicContact CE1-CD1 3.7Å; Y105-F119 HydrophobicContact CE1-CE1 4.42Å; Y105-S192 WeakPolarHBondContact OH-CB 3.2Å; Y105-S192 PolarHBondContact OH-O 3.27Å
106	K	98.2	Very high	96.4	Very high	51 Å²	51	50 Å²	50	22%	0.222	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.8	161	68.3	-178.8	-172.6	163.3	0	108.9	V59 L60 L66 W113 S114	V59-K106 WeakPolarHBondContact CA-O 3.24Å; L60-K106 HydrophobicContact CB-CG 4.26Å; L60-K106 PolarHBondContact N-O 3.41Å; L60-K106 PolarHBondContact O-N 3.43Å; L66-K106 HydrophobicContact CD1-CD 3.92Å; L66-K106 HydrophobicContact CD1-CG 3.93Å; K106-W113 HydrophobicContact CD-CB 4.25Å; K106-W113 HydrophobicContact CD-CD2 4.16Å; K106-W113 HydrophobicContact CD-CE3 3.98Å; K106-W113 HydrophobicContact CD-CG 4.28Å; K106-W113 HydrophobicContact CG-CD2 4.43Å; K106-W113 HydrophobicContact CG-CE3 3.75Å; K106-W113 HydrophobicContact CG-CZ3 4.29Å; K106-S114 WeakPolarHBondContact CA-OG 3.31Å
107	C	98.5	Very high	96.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	160.3	179.9	61.2	0	0	0	0	110.5	P30 I46 W48 T58 V59 W113 S114	P30-C107 WeakPolarHBondContact CG-O 3.44Å; I46-C107 HydrophobicContact CG2-CB 4.48Å; W48-C107 HydrophobicContact CD2-CB 3.78Å; W48-C107 HydrophobicContact CE3-CB 3.6Å; W48-C107 HydrophobicContact CH2-CB 3.88Å; W48-C107 HydrophobicContact CZ2-CB 4.07Å; W48-C107 HydrophobicContact CZ3-CB 3.66Å; T58-C107 CarbonylContact O-C 3.28Å; T58-C107 WeakPolarHBondContact O-CA 3.28Å; V59-C107 HydrophobicContact CG2-CB 4.02Å; C107-W113 WeakPolarHBondContact O-CA 3.42Å; C107-S114 PolarHBondContact N-OG 2.88Å; C107-S114 PolarHBondContact O-N 3.22Å
108	G	97.8	Very high	96.6	Very high	1 Å²	1	47 Å²	47	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.9	-146.6	177.3	0	0	0	0	0	113.8	T58 G112	T58-G108 WeakPolarHBondContact CA-O 3.49Å; T58-G108 WeakPolarHBondContact CB-O 3.28Å; T58-G108 PolarHBondContact N-O 2.87Å; T58-G108 PolarHBondContact O-N 2.93Å; T58-G108 VanDerWaalsContact O-O 3.13Å; G108-G112 WeakPolarHBondContact CA-O 3.39Å
109	S	96.4	Very high	96.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	-174.8	-178.4	79.5	0	0	0	0	110.9	S56 D111 G112 W113	S56-S109 WeakPolarHBondContact O-CB 3.1Å; S109-D111 PolarHBondContact O-N 2.91Å; S109-D111 VanDerWaalsContact OG-CB 3.25Å; S109-D111 WeakPolarHBondContact OG-CB 3.28Å; S109-D111 PolarHBondContact OG-N 3.21Å; S109-D111 PolarHBondContact OG-OD2 3.29Å; S109-G112 PolarHBondContact N-O 3.46Å; S109-G112 CarbonylContact O-C 3.44Å; S109-G112 PolarHBondContact O-N 3.06Å; S109-W113 PolarHBondContact O-NE1 2.91Å
110	L	93.5	Very high	96.7	Very high	131 Å²	131	46.1 Å²	46.1	69%	0.686	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.6	169.6	-66.9	178	0	0	0	113.3	F24	F24-L110 WeakPolarHBondContact CE1-O 3.24Å
111	D	92.1	Very high	96.9	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.273	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-20.9	176.6	-54.5	-58.9	0	0	0	113.4	F24 H28 T54 E55 S109	F24-D111 VanDerWaalsContact CD1-C 3.43Å; F24-D111 WeakPolarHBondContact CD1-O 3.29Å; H28-D111 HydrophobicContact CB-CB 3.92Å; H28-D111 WeakPolarHBondContact CB-O 3.04Å; T54-D111 WeakPolarHBondContact CA-OD2 3.43Å; T54-D111 WeakPolarHBondContact CB-OD2 3.36Å; T54-D111 HydrophobicContact CG2-CB 4.12Å; E55-D111 PolarHBondContact N-OD2 3.42Å; S109-D111 PolarHBondContact O-N 2.91Å; S109-D111 VanDerWaalsContact OG-CB 3.25Å; S109-D111 WeakPolarHBondContact OG-CB 3.28Å; S109-D111 PolarHBondContact OG-N 3.21Å; S109-D111 PolarHBondContact OG-OD2 3.29Å
112	G	94.7	Very high	96.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	132.5	-175.8	0	0	0	0	0	112.1	G108 S109	G108-G112 WeakPolarHBondContact CA-O 3.39Å; S109-G112 PolarHBondContact N-O 3.46Å; S109-G112 CarbonylContact O-C 3.44Å; S109-G112 PolarHBondContact O-N 3.06Å
113	W	96.6	Very high	96.8	Very high	45 Å²	45	43 Å²	43	17%	0.17	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	147.7	174.9	-68	96	0	0	0	110.7	T58 L60 K106 C107 S109	T58-W113 HydrophobicContact CG2-CH2 3.86Å; T58-W113 HydrophobicContact CG2-CZ3 4.37Å; L60-W113 HydrophobicContact CD1-CH2 3.67Å; L60-W113 HydrophobicContact CD1-CZ2 3.97Å; L60-W113 HydrophobicContact CD1-CZ3 4.06Å; L60-W113 HydrophobicContact CG-CH2 3.7Å; L60-W113 HydrophobicContact CG-CZ2 4.49Å; L60-W113 HydrophobicContact CG-CZ3 3.89Å; K106-W113 HydrophobicContact CD-CB 4.25Å; K106-W113 HydrophobicContact CD-CD2 4.16Å; K106-W113 HydrophobicContact CD-CE3 3.98Å; K106-W113 HydrophobicContact CD-CG 4.28Å; K106-W113 HydrophobicContact CG-CD2 4.43Å; K106-W113 HydrophobicContact CG-CE3 3.75Å; K106-W113 HydrophobicContact CG-CZ3 4.29Å; C107-W113 WeakPolarHBondContact O-CA 3.42Å; S109-W113 PolarHBondContact O-NE1 2.91Å
114	S	97.2	Very high	96.4	Very high	15 Å²	15	46.1 Å²	46.1	11%	0.105	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-65.8	166.3	164	73.9	0	0	0	0	111.4	K106 C107	K106-S114 WeakPolarHBondContact CA-OG 3.31Å; C107-S114 PolarHBondContact N-OG 2.88Å; C107-S114 PolarHBondContact O-N 3.22Å
115	D	95.6	Very high	96.1	Very high	125 Å²	125	45.4 Å²	45.4	67%	0.668	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-57.3	162.2	158.6	-70.1	-37.1	0	0	0	111.2	L117	D115-L117 PolarHBondContact O-N 2.97Å
116	V	97.6	Very high	95.9	Very high	85 Å²	85	46.2 Å²	46.2	52%	0.515	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-75.5	116.7	172.8	-177.5	0	0	0	0	109.2	L66 Y104 Y105	L66-V116 HydrophobicContact CD1-CG2 4.03Å; Y104-V116 HydrophobicContact CD1-CG1 4.26Å; Y105-V116 CarbonylContact O-C 3.55Å; Y105-V116 WeakPolarHBondContact O-CA 3.28Å
117	L	97.8	Very high	95.7	Very high	30 Å²	30	51.7 Å²	51.7	16%	0.157	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	172	177.1	-62.7	163.4	0	0	0	109.3	V33 Y104 Y105 D115	V33-L117 HydrophobicContact CB-CD1 3.92Å; V33-L117 HydrophobicContact CG1-CD1 3.67Å; V33-L117 HydrophobicContact CG2-CD1 4.11Å; Y104-L117 CarbonylContact C-O 3.54Å; Y104-L117 VanDerWaalsContact CA-O 3.31Å; Y104-L117 WeakPolarHBondContact CA-O 3.19Å; Y105-L117 HydrophobicContact CD1-CB 3.93Å; Y105-L117 HydrophobicContact CD2-CB 4.44Å; Y105-L117 HydrophobicContact CE1-CB 3.37Å; Y105-L117 HydrophobicContact CE2-CB 3.96Å; Y105-L117 HydrophobicContact CE2-CD1 3.85Å; Y105-L117 HydrophobicContact CG-CB 4.44Å; Y105-L117 PolarHBondContact N-O 3.36Å; Y105-L117 PolarHBondContact O-N 3.18Å; D115-L117 PolarHBondContact O-N 2.97Å
118	N	97.7	Very high	95.7	Very high	60 Å²	60	53.3 Å²	53.3	32%	0.321	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	151.4	174.9	66.4	95.6	0	0	0	111.9	I102 Y103 Y104	I102-N118 HydrophobicContact CG2-CB 4.25Å; Y103-N118 WeakPolarHBondContact O-CA 3.36Å; Y103-N118 WeakPolarHBondContact O-CB 3.47Å; Y104-N118 HydrophobicContact CD1-CB 3.91Å; Y104-N118 HydrophobicContact CE1-CB 4.18Å; Y104-N118 HydrophobicContact CG-CB 4.47Å
119	F	97.8	Very high	95.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163.2	171.6	70.6	-87.9	0	0	0	109.6	I35 I44 L94 L97 I102 Y103 Y105 A121 K193	I35-F119 HydrophobicContact CD1-CB 3.59Å; I35-F119 HydrophobicContact CD1-CG 4.03Å; I44-F119 HydrophobicContact CD1-CD2 3.68Å; I44-F119 HydrophobicContact CD1-CE2 3.76Å; I44-F119 HydrophobicContact CD1-CG 4.17Å; I44-F119 HydrophobicContact CD1-CZ 4.28Å; I44-F119 HydrophobicContact CG2-CE1 4.36Å; I44-F119 HydrophobicContact CG2-CE2 4.11Å; I44-F119 HydrophobicContact CG2-CZ 3.78Å; L94-F119 HydrophobicContact CD1-CE1 4.12Å; L94-F119 HydrophobicContact CD1-CZ 4.1Å; L97-F119 HydrophobicContact CD1-CE2 3.88Å; L97-F119 HydrophobicContact CD1-CZ 3.94Å; L97-F119 HydrophobicContact CD2-CZ 4.35Å; I102-F119 WeakPolarHBondContact CA-O 3.46Å; Y103-F119 HydrophobicContact CD2-CE2 4.35Å; Y103-F119 HydrophobicContact CD2-CZ 4.31Å; Y103-F119 HydrophobicContact CG-CZ 4.25Å; Y103-F119 PolarHBondContact N-O 3.48Å; Y103-F119 PolarHBondContact O-N 3.38Å; Y105-F119 AromaticContact CD1-CD1 3.68Å; Y105-F119 HydrophobicContact CD1-CD1 3.68Å; Y105-F119 HydrophobicContact CD1-CE1 4.04Å; Y105-F119 AromaticContact CE1-CD1 3.7Å; Y105-F119 HydrophobicContact CE1-CD1 3.7Å; Y105-F119 HydrophobicContact CE1-CE1 4.42Å; F119-A121 HydrophobicContact CE2-CB 4.45Å; F119-K193 WeakPolarHBondContact CA-O 3.45Å; F119-K193 WeakPolarHBondContact CB-O 3.47Å
120	R	96.9	Very high	95.8	Very high	134 Å²	134	55.4 Å²	55.4	51%	0.506	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.7	170.9	-175.9	-176.3	-60	-79.8	1.9	109.2	G100 T101 L122	G100-R120 PolarHBondContact O-NH1 3.43Å; T101-R120 WeakPolarHBondContact O-CA 3.24Å; R120-L122 PolarHBondContact O-N 3.03Å
121	A	97.3	Very high	96	Very high	8 Å²	8	51.6 Å²	51.6	7%	0.066	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-64.8	128.2	171.2	0	0	0	0	0	109.6	L97 I98 G100 T101 Y103 F119	L97-A121 HydrophobicContact CB-CB 3.92Å; L97-A121 HydrophobicContact CD1-CB 4.44Å; I98-A121 WeakPolarHBondContact O-CB 3.33Å; G100-A121 VanDerWaalsContact CA-O 3.31Å; G100-A121 WeakPolarHBondContact CA-O 3.5Å; G100-A121 PolarHBondContact N-O 3.3Å; T101-A121 PolarHBondContact O-N 2.95Å; Y103-A121 HydrophobicContact CD2-CB 4.3Å; Y103-A121 HydrophobicContact CE2-CB 4.13Å; F119-A121 HydrophobicContact CE2-CB 4.45Å
122	L	96.4	Very high	96.3	Very high	21 Å²	21	49.2 Å²	49.2	11%	0.11	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-68.7	154.1	-178	-60.2	-172.3	0	0	0	111.4	L37 R120 W128 D160 P195 V232	L37-L122 HydrophobicContact CD2-CD1 3.91Å; R120-L122 PolarHBondContact O-N 3.03Å; L122-W128 HydrophobicContact CB-CH2 4.34Å; L122-W128 HydrophobicContact CB-CZ2 4.14Å; L122-W128 HydrophobicContact CD1-CH2 4.23Å; L122-W128 HydrophobicContact CD1-CZ2 4.33Å; L122-W128 HydrophobicContact CD2-CH2 4.03Å; L122-W128 HydrophobicContact CG-CH2 4.44Å; L122-D160 HydrophobicContact CD2-CB 4.04Å; L122-P195 HydrophobicContact CD1-CG 4.41Å; L122-V232 HydrophobicContact CD1-CG2 4.23Å
123	P	95.2	Very high	96.5	Very high	34 Å²	34	49.2 Å²	49.2	22%	0.221	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-60.6	135.2	168.9	-20	31.5	0	0	0	112	W128	P123-W128 HydrophobicContact CB-CD2 4.06Å; P123-W128 HydrophobicContact CB-CG 3.89Å; P123-W128 HydrophobicContact CG-CB 4.46Å; P123-W128 HydrophobicContact CG-CD2 3.71Å; P123-W128 HydrophobicContact CG-CE3 4.03Å; P123-W128 HydrophobicContact CG-CG 3.91Å; P123-W128 HydrophobicContact CG-CZ2 4.45Å; P123-W128 PolarHBondContact O-NE1 3.04Å
124	S	89.7	Confident	96.6	Very high	74 Å²	74	47.1 Å²	47.1	52%	0.517	24%	0.239	S	C	.	.	S	Bend	trans	-88.2	-10.2	-178.7	57.3	0	0	0	0	114.6
125	H	92.4	Very high	96.7	Very high	86 Å²	86	46.4 Å²	46.4	40%	0.398	24%	0.235	S	C	.	.	S	Bend	trans	-88.6	160.8	177.6	67.4	75.7	0	0	0	111	Y127 W128	H125-Y127 HydrophobicContact CB-CD2 4.41Å; H125-Y127 PolarHBondContact ND1-N 2.89Å; H125-W128 PolarHBondContact O-NE1 3.32Å
126	P	94.7	Very high	96.8	Very high	16 Å²	16	40.4 Å²	40.4	10%	0.104	20%	0.203	C	C	.	.	S	Bend	trans	-78.8	-20.7	-179.2	27.3	-33.4	0	0	0	114.7	W128 G233 P234 N277	P126-W128 VanDerWaalsContact C-N 3.28Å; P126-W128 PolarHBondContact O-N 2.95Å; P126-G233 WeakPolarHBondContact CA-O 3.35Å; P126-G233 CarbonylContact O-C 3.6Å; P126-G233 WeakPolarHBondContact O-CA 3.37Å; P126-P234 WeakPolarHBondContact O-CD 3.44Å; P126-P234 VanDerWaalsContact O-N 3.15Å; P126-N277 HydrophobicContact CB-CB 4.18Å; P126-N277 WeakPolarHBondContact CB-O 3.19Å; P126-N277 HydrophobicContact CG-CB 4.01Å
127	Y	94.9	Very high	96.8	Very high	166 Å²	166	36.4 Å²	36.4	65%	0.651	18%	0.178	S	C	*	.	S	Bend	trans	-83.2	33	-168.2	-43.6	-70.9	0	0	0	116.3	H125	H125-Y127 HydrophobicContact CB-CD2 4.41Å; H125-Y127 PolarHBondContact ND1-N 2.89Å
128	W	97.1	Very high	96.7	Very high	35 Å²	35	35 Å²	35	13%	0.133	17%	0.171	C	C	.	.	S	Bend	trans	-117.3	173.6	172.8	68.3	-70.6	0	0	0	110.6	L122 P123 H125 P126 P130 D160 V232 G233 P234	L122-W128 HydrophobicContact CB-CH2 4.34Å; L122-W128 HydrophobicContact CB-CZ2 4.14Å; L122-W128 HydrophobicContact CD1-CH2 4.23Å; L122-W128 HydrophobicContact CD1-CZ2 4.33Å; L122-W128 HydrophobicContact CD2-CH2 4.03Å; L122-W128 HydrophobicContact CG-CH2 4.44Å; P123-W128 HydrophobicContact CB-CD2 4.06Å; P123-W128 HydrophobicContact CB-CG 3.89Å; P123-W128 HydrophobicContact CG-CB 4.46Å; P123-W128 HydrophobicContact CG-CD2 3.71Å; P123-W128 HydrophobicContact CG-CE3 4.03Å; P123-W128 HydrophobicContact CG-CG 3.91Å; P123-W128 HydrophobicContact CG-CZ2 4.45Å; P123-W128 PolarHBondContact O-NE1 3.04Å; H125-W128 PolarHBondContact O-NE1 3.32Å; P126-W128 VanDerWaalsContact C-N 3.28Å; P126-W128 PolarHBondContact O-N 2.95Å; W128-P130 HydrophobicContact CD2-CG 3.99Å; W128-P130 HydrophobicContact CE3-CB 4.39Å; W128-P130 HydrophobicContact CE3-CG 4.12Å; W128-P130 HydrophobicContact CH2-CB 3.78Å; W128-P130 HydrophobicContact CH2-CG 3.87Å; W128-P130 HydrophobicContact CZ2-CB 4.16Å; W128-P130 HydrophobicContact CZ2-CG 3.75Å; W128-P130 HydrophobicContact CZ3-CB 3.93Å; W128-P130 HydrophobicContact CZ3-CG 4.06Å; W128-P130 WeakPolarHBondContact O-CD 3.22Å; W128-D160 HydrophobicContact CH2-CB 4.07Å; W128-D160 HydrophobicContact CZ3-CB 4.15Å; W128-D160 WeakPolarHBondContact CZ3-OD2 3.29Å; W128-V232 HydrophobicContact CH2-CG2 4.12Å; W128-V232 HydrophobicContact CZ2-CG2 3.64Å; W128-G233 VanDerWaalsContact NE1-CA 3.29Å; W128-P234 WeakPolarHBondContact O-CD 3.43Å
129	S	98.2	Very high	96.6	Very high	46 Å²	46	32.1 Å²	32.1	32%	0.322	16%	0.156	S	C	.	.			trans	-111.8	85.1	-176.5	171.1	0	0	0	0	111.1	I412	S129-I412 VanDerWaalsContact CA-O 3.23Å; S129-I412 WeakPolarHBondContact CA-O 3.31Å; S129-I412 PolarHBondContact OG-O 2.97Å
130	P	98.1	Very high	96.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.			trans	-59.3	141.1	175.1	-18.2	25.3	0	0	0	112.7	W128 L132 V232 I412	W128-P130 HydrophobicContact CD2-CG 3.99Å; W128-P130 HydrophobicContact CE3-CB 4.39Å; W128-P130 HydrophobicContact CE3-CG 4.12Å; W128-P130 HydrophobicContact CH2-CB 3.78Å; W128-P130 HydrophobicContact CH2-CG 3.87Å; W128-P130 HydrophobicContact CZ2-CB 4.16Å; W128-P130 HydrophobicContact CZ2-CG 3.75Å; W128-P130 HydrophobicContact CZ3-CB 3.93Å; W128-P130 HydrophobicContact CZ3-CG 4.06Å; W128-P130 WeakPolarHBondContact O-CD 3.22Å; P130-L132 HydrophobicContact CB-CD1 3.66Å; P130-V232 HydrophobicContact CB-CG2 4.06Å; P130-V232 HydrophobicContact CG-CG2 3.93Å; P130-I412 HydrophobicContact CB-CD1 4.22Å; P130-I412 HydrophobicContact CG-CD1 4.28Å; P130-I412 PolarHBondContact O-N 3.23Å
131	K	98.6	Very high	96.1	Very high	51 Å²	51	28.8 Å²	28.8	22%	0.222	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.8	172.5	-171.9	170.4	168.6	-154.1	0	111	S158 Y159 D160 R409 M410	K131-S158 WeakPolarHBondContact CD-O 3.36Å; K131-S158 WeakPolarHBondContact CE-O 3.31Å; K131-S158 PolarHBondContact NZ-O 2.91Å; K131-S158 VanDerWaalsContact NZ-O 3.09Å; K131-Y159 HydrophobicContact CG-CD1 3.92Å; K131-Y159 HydrophobicContact CG-CE1 4.17Å; K131-Y159 CarbonylContact O-C 3.41Å; K131-Y159 WeakPolarHBondContact O-CA 3.43Å; K131-D160 PolarHBondContact N-OD2 3Å; K131-D160 PolarHBondContact O-N 2.7Å; K131-R409 VanDerWaalsContact CE-CD 3.41Å; K131-M410 CarbonylContact C-O 3.52Å; K131-M410 WeakPolarHBondContact CA-O 3.37Å
132	L	98.7	Very high	95.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.5	-171	-62.1	75.7	0	0	0	110.5	P130 V134 M161 L163 I237 M410 I412	P130-L132 HydrophobicContact CB-CD1 3.66Å; L132-V134 HydrophobicContact CB-CG2 4.25Å; L132-M161 WeakPolarHBondContact CA-O 3.37Å; L132-M161 HydrophobicContact CD2-CE 3.2Å; L132-M161 HydrophobicContact CG-CB 4.39Å; L132-M161 HydrophobicContact CG-CE 3.86Å; L132-L163 HydrophobicContact CD2-CD1 3.79Å; L132-L163 HydrophobicContact CD2-CD2 4.07Å; L132-L163 HydrophobicContact CD2-CG 3.82Å; L132-I237 HydrophobicContact CD2-CD1 3.92Å; L132-M410 HydrophobicContact CB-CB 4.45Å; L132-M410 HydrophobicContact CB-CE 4.3Å; L132-M410 HydrophobicContact CD1-CE 4.36Å; L132-M410 HydrophobicContact CD2-CE 3.67Å; L132-M410 HydrophobicContact CG-CE 4.35Å; L132-M410 PolarHBondContact N-O 3.09Å; L132-M410 PolarHBondContact O-N 3.12Å; L132-I412 HydrophobicContact CD1-CD1 3.92Å; L132-I412 HydrophobicContact CD1-CG1 4.34Å
133	A	98.7	Very high	95.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.4	161.8	0	0	0	0	0	108.6	Y135 L149 Y159 M161 V162 L163 Y407	A133-Y135 HydrophobicContact CB-CE1 4.28Å; A133-L149 HydrophobicContact CB-CD2 3.89Å; A133-Y159 HydrophobicContact CB-CD1 3.96Å; A133-Y159 HydrophobicContact CB-CD2 4.03Å; A133-Y159 HydrophobicContact CB-CE1 4.12Å; A133-Y159 HydrophobicContact CB-CE2 4.16Å; A133-Y159 HydrophobicContact CB-CG 3.97Å; A133-M161 PolarHBondContact N-O 2.66Å; A133-V162 HydrophobicContact CB-CG2 4.41Å; A133-V162 CarbonylContact O-C 3.55Å; A133-V162 VanDerWaalsContact O-CA 3.31Å; A133-V162 WeakPolarHBondContact O-CA 3.03Å; A133-L163 PolarHBondContact O-N 3.13Å; A133-Y407 HydrophobicContact CB-CD2 4.42Å
134	V	98.8	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128.8	-174	-174.9	0	0	0	0	109.1	L132 L163 V165 I339 S378 T408 M410	L132-V134 HydrophobicContact CB-CG2 4.25Å; V134-L163 WeakPolarHBondContact CA-O 3.42Å; V134-L163 HydrophobicContact CB-CB 4.49Å; V134-L163 HydrophobicContact CG1-CB 4.17Å; V134-L163 HydrophobicContact CG2-CB 4.12Å; V134-L163 HydrophobicContact CG2-CD1 4Å; V134-L163 HydrophobicContact CG2-CG 4.19Å; V134-V165 HydrophobicContact CG1-CG2 4.02Å; V134-I339 HydrophobicContact CG1-CD1 4.03Å; V134-I339 HydrophobicContact CG1-CG2 3.69Å; V134-S378 PolarHBondContact O-OG 3.14Å; V134-T408 HydrophobicContact CB-CG2 4.49Å; V134-T408 PolarHBondContact N-O 3.37Å; V134-T408 PolarHBondContact O-N 2.96Å; V134-M410 HydrophobicContact CG2-CB 4.15Å; V134-M410 HydrophobicContact CG2-CE 4.27Å
135	Y	98.4	Very high	95.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	153.3	-179.9	50.2	-94	0	0	0	110.9	A133 M138 L149 V162 L163 H164 V165 Y196 S378 A381	A133-Y135 HydrophobicContact CB-CE1 4.28Å; Y135-M138 HydrophobicContact CD2-CE 3.61Å; Y135-M138 HydrophobicContact CE1-CE 4.33Å; Y135-M138 HydrophobicContact CE2-CE 3.16Å; Y135-M138 HydrophobicContact CE2-SD 4.36Å; Y135-M138 HydrophobicContact CG-CE 4.35Å; Y135-L149 HydrophobicContact CD1-CD1 3.88Å; Y135-L149 HydrophobicContact CD1-CD2 4.24Å; Y135-L149 HydrophobicContact CE1-CD1 3.44Å; Y135-L149 VanDerWaalsContact CE1-CD1 3.44Å; Y135-L149 HydrophobicContact CE1-CD2 3.82Å; Y135-L149 HydrophobicContact CE1-CG 4.28Å; Y135-L149 HydrophobicContact CE2-CD1 4.37Å; Y135-V162 HydrophobicContact CE1-CG1 3.71Å; Y135-V162 HydrophobicContact CE1-CG2 4.48Å; Y135-V162 HydrophobicContact CE2-CG1 4.38Å; Y135-V162 WeakPolarHBondContact OH-CG1 3.35Å; Y135-L163 PolarHBondContact N-O 3.43Å; Y135-L163 VanDerWaalsContact N-O 3.11Å; Y135-H164 HydrophobicContact CE2-CB 4.2Å; Y135-H164 AromaticContact CE2-CE1 3.89Å; Y135-H164 AromaticContact CE2-CG 3.75Å; Y135-H164 AromaticContact CE2-ND1 3.52Å; Y135-H164 CarbonylContact O-C 3.59Å; Y135-H164 WeakPolarHBondContact O-CA 3.46Å; Y135-V165 PolarHBondContact O-N 3.34Å; Y135-Y196 WeakPolarHBondContact OH-CE2 3.32Å; Y135-Y196 PolarHBondContact OH-OH 3.5Å; Y135-S378 CarbonylContact C-O 3.56Å; Y135-S378 WeakPolarHBondContact CA-O 3.45Å; Y135-A381 HydrophobicContact CD2-CB 4.23Å; Y135-A381 HydrophobicContact CG-CB 4.44Å
136	G	98.2	Very high	95.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.			trans	-111.3	179.5	161.2	0	0	0	0	0	110.8	M138 S378 A381	G136-M138 PolarHBondContact O-N 3.35Å; G136-S378 PolarHBondContact N-O 3.25Å; G136-A381 WeakPolarHBondContact O-CB 3.41Å
137	D	97.9	Very high	95.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.			trans	67.5	41.2	150.9	-52.6	-83.1	0	0	0	113.9	G166 Y170 H286 G341 H342 H344 G379 G382 S383	D137-G166 PolarHBondContact N-O 2.99Å; D137-G166 VanDerWaalsContact N-O 3.1Å; D137-Y170 WeakPolarHBondContact CA-OH 3.17Å; D137-Y170 WeakPolarHBondContact CB-OH 3.35Å; D137-Y170 PolarHBondContact O-OH 2.88Å; D137-H286 IonicContact OD1-CE1 3.59Å; D137-H286 PolarHBondContact OD1-CE1 2.92Å; D137-G341 VanDerWaalsContact OD2-CA 3.31Å; D137-G341 WeakPolarHBondContact OD2-CA 3.04Å; D137-H342 WeakPolarHBondContact OD1-CA 3.45Å; D137-H342 PolarHBondContact OD1-N 2.7Å; D137-H342 PolarHBondContact OD2-N 3.13Å; D137-H344 IonicContact OD1-CD2 2.7Å; D137-H344 IonicContact OD1-NE2 2.81Å; D137-G379 WeakPolarHBondContact CB-O 3.04Å; D137-G379 WeakPolarHBondContact OD2-CA 3.38Å; D137-G382 PolarHBondContact O-N 3.28Å; D137-S383 PolarHBondContact O-N 3.5Å
138	M	96.1	Very high	95.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.			trans	-87.2	-33.8	-175.9	-176.2	178.5	-70	0	0	114.4	Y135 G136 A143 L146 L149 A381	Y135-M138 HydrophobicContact CD2-CE 3.61Å; Y135-M138 HydrophobicContact CE1-CE 4.33Å; Y135-M138 HydrophobicContact CE2-CE 3.16Å; Y135-M138 HydrophobicContact CE2-SD 4.36Å; Y135-M138 HydrophobicContact CG-CE 4.35Å; G136-M138 PolarHBondContact O-N 3.35Å; M138-A143 HydrophobicContact CG-CB 3.66Å; M138-A143 VanDerWaalsContact O-CA 3.28Å; M138-A143 WeakPolarHBondContact O-CA 3Å; M138-A143 WeakPolarHBondContact O-CB 3.39Å; M138-A143 HydrophobicContact SD-CB 4.41Å; M138-L146 HydrophobicContact SD-CB 3.93Å; M138-L146 HydrophobicContact SD-CD1 3.96Å; M138-L146 HydrophobicContact SD-CG 4.43Å; M138-L149 HydrophobicContact CE-CD1 3.3Å; M138-A381 HydrophobicContact CB-CB 3.73Å; M138-A381 HydrophobicContact CE-CB 4.22Å; M138-A381 HydrophobicContact CG-CB 4.22Å
139	G	94.7	Very high	95.8	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	14%	0.135	C	C	.	.			trans	63.9	169.3	-174.9	0	0	0	0	0	117	F183	G139-F183 WeakPolarHBondContact O-CD2 3.44Å
140	A	93.8	Very high	95.8	Very high	7 Å²	7	23.3 Å²	23.3	6%	0.058	13%	0.13	C	C	.	.	S	Bend	trans	-88.7	-31.9	178.2	0	0	0	0	0	111.8	A169 V179 Q182 F183 N186	A140-A169 HydrophobicContact CB-CB 4.2Å; A140-V179 HydrophobicContact CB-CG1 3.98Å; A140-Q182 HydrophobicContact CB-CG 4.5Å; A140-F183 HydrophobicContact CB-CB 4.06Å; A140-N186 PolarHBondContact O-ND2 3.28Å
141	T	90.5	Very high	95.7	Very high	59 Å²	59	26.7 Å²	26.7	36%	0.362	15%	0.146	S	C	.	.	S	Bend	trans	-103	151.1	175	33.1	0	0	0	0	109	A143 D384	T141-A143 PolarHBondContact O-N 2.81Å; T141-D384 PolarHBondContact OG1-OD2 3.26Å
142	D	85.1	Confident	95.7	Very high	114 Å²	114	25.4 Å²	25.4	61%	0.61	14%	0.141	S	C	*	.	S	Bend	trans	53.3	9.7	177.6	-65.8	-22.4	0	0	0	117.5	L144 G382 D384	D142-L144 VanDerWaalsContact C-N 3.28Å; D142-L144 WeakPolarHBondContact O-CA 3.39Å; D142-L144 WeakPolarHBondContact O-CD2 3.25Å; D142-L144 WeakPolarHBondContact O-CG 3.27Å; D142-L144 PolarHBondContact O-N 2.84Å; D142-G382 CarbonylContact C-O 3.55Å; D142-D384 HydrophobicContact CB-CB 4.4Å
143	A	90.2	Very high	95.6	Very high	14 Å²	14	25.4 Å²	25.4	12%	0.116	14%	0.141	C	C	.	.			trans	-46.7	73	177.7	0	0	0	0	0	115.9	M138 T141 S145 L146 P147 G382	M138-A143 HydrophobicContact CG-CB 3.66Å; M138-A143 VanDerWaalsContact O-CA 3.28Å; M138-A143 WeakPolarHBondContact O-CA 3Å; M138-A143 WeakPolarHBondContact O-CB 3.39Å; M138-A143 HydrophobicContact SD-CB 4.41Å; T141-A143 PolarHBondContact O-N 2.81Å; A143-S145 VanDerWaalsContact C-N 3.28Å; A143-S145 PolarHBondContact O-N 3.32Å; A143-L146 HydrophobicContact CB-CB 3.9Å; A143-L146 HydrophobicContact CB-CD2 4.3Å; A143-L146 VanDerWaalsContact O-CB 3.26Å; A143-L146 WeakPolarHBondContact O-CB 3.04Å; A143-L146 PolarHBondContact O-N 3.25Å; A143-P147 WeakPolarHBondContact O-CD 3.29Å; A143-G382 WeakPolarHBondContact CA-O 3.43Å; A143-G382 PolarHBondContact N-O 3.32Å
144	L	93.8	Very high	95.4	Very high	85 Å²	85	31 Å²	31	45%	0.445	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-32.2	-162.9	-69	-178.2	0	0	0	112.5	D142 L146 P147 G382 F405 V425	D142-L144 VanDerWaalsContact C-N 3.28Å; D142-L144 WeakPolarHBondContact O-CA 3.39Å; D142-L144 WeakPolarHBondContact O-CD2 3.25Å; D142-L144 WeakPolarHBondContact O-CG 3.27Å; D142-L144 PolarHBondContact O-N 2.84Å; L144-L146 VanDerWaalsContact C-N 3.35Å; L144-P147 WeakPolarHBondContact O-CD 3.05Å; L144-G382 PolarHBondContact N-O 2.88Å; L144-F405 HydrophobicContact CD1-CB 4.15Å; L144-F405 HydrophobicContact CD1-CD2 3.14Å; L144-F405 HydrophobicContact CD1-CE2 3.44Å; L144-F405 VanDerWaalsContact CD1-CE2 3.44Å; L144-F405 HydrophobicContact CD1-CG 3.78Å; L144-F405 HydrophobicContact CD1-CZ 4.33Å; L144-F405 HydrophobicContact CG-CD2 4.47Å; L144-V425 HydrophobicContact CB-CG2 4.22Å
145	S	96.8	Very high	95.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-20.4	178.2	-64.5	0	0	0	0	113.7	A143 E148 L149 A381 G406 V425	A143-S145 VanDerWaalsContact C-N 3.28Å; A143-S145 PolarHBondContact O-N 3.32Å; S145-E148 PolarHBondContact O-N 3.19Å; S145-L149 WeakPolarHBondContact O-CG 3.47Å; S145-L149 PolarHBondContact O-N 3.24Å; S145-A381 WeakPolarHBondContact CB-O 3.26Å; S145-A381 PolarHBondContact N-O 2.91Å; S145-A381 WeakPolarHBondContact OG-CA 3.46Å; S145-A381 PolarHBondContact OG-O 2.84Å; S145-G406 PolarHBondContact OG-O 3.22Å; S145-V425 WeakPolarHBondContact OG-CG2 3.36Å
146	L	96.8	Very high	95.1	Very high	17 Å²	17	39.7 Å²	39.7	9%	0.089	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-47	-171.6	179.5	66.7	0	0	0	113.4	M138 A143 L144 E148 L149 I150 N186 I187 I190	M138-L146 HydrophobicContact SD-CB 3.93Å; M138-L146 HydrophobicContact SD-CD1 3.96Å; M138-L146 HydrophobicContact SD-CG 4.43Å; A143-L146 HydrophobicContact CB-CB 3.9Å; A143-L146 HydrophobicContact CB-CD2 4.3Å; A143-L146 VanDerWaalsContact O-CB 3.26Å; A143-L146 WeakPolarHBondContact O-CB 3.04Å; A143-L146 PolarHBondContact O-N 3.25Å; L144-L146 VanDerWaalsContact C-N 3.35Å; L146-E148 VanDerWaalsContact C-N 3.3Å; L146-E148 PolarHBondContact O-N 3.1Å; L146-L149 PolarHBondContact O-N 3.15Å; L146-I150 HydrophobicContact CD1-CD1 4.01Å; L146-I150 HydrophobicContact CD1-CG1 4.06Å; L146-I150 HydrophobicContact CD2-CD1 4.46Å; L146-I150 HydrophobicContact CG-CD1 3.86Å; L146-I150 HydrophobicContact CG-CG1 4.32Å; L146-I150 VanDerWaalsContact O-CG1 3.3Å; L146-I150 WeakPolarHBondContact O-CG1 3.32Å; L146-I150 PolarHBondContact O-N 3.12Å; L146-N186 HydrophobicContact CD2-CB 3.77Å; L146-I187 HydrophobicContact CD1-CG2 4.41Å; L146-I190 HydrophobicContact CD1-CD1 3.75Å
147	P	95.3	Very high	95	Very high	80 Å²	80	44.7 Å²	44.7	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-59.9	-38.8	179.4	-24.9	35.5	0	0	0	113.3	A143 L144 H151	A143-P147 WeakPolarHBondContact O-CD 3.29Å; L144-P147 WeakPolarHBondContact O-CD 3.05Å; P147-H151 PolarHBondContact O-N 3.4Å; P147-H151 VanDerWaalsContact O-N 3.08Å
148	E	96.2	Very high	95	Very high	16 Å²	16	46 Å²	46	8%	0.075	25%	0.247	C	C	.	.	H	α-helix	trans	-70.9	-42.4	177.7	-177.3	56.6	-151.3	0	0	111.3	S145 L146 I150 H151 Q152 Y407 V425 K430	S145-E148 PolarHBondContact O-N 3.19Å; L146-E148 VanDerWaalsContact C-N 3.3Å; L146-E148 PolarHBondContact O-N 3.1Å; E148-I150 VanDerWaalsContact C-N 3.33Å; E148-I150 PolarHBondContact O-N 2.83Å; E148-H151 WeakPolarHBondContact O-CB 3.34Å; E148-H151 PolarHBondContact O-N 3.14Å; E148-H151 VanDerWaalsContact O-N 3.17Å; E148-Q152 HydrophobicContact CG-CG 4.39Å; E148-Q152 VanDerWaalsContact O-CG 3.25Å; E148-Q152 WeakPolarHBondContact O-CG 3.45Å; E148-Q152 PolarHBondContact O-N 3.15Å; E148-Q152 WeakPolarHBondContact OE1-CG 3.47Å; E148-Q152 PolarHBondContact OE1-NE2 2.86Å; E148-Y407 HydrophobicContact CB-CE1 4.45Å; E148-Y407 HydrophobicContact CG-CE1 3.96Å; E148-V425 HydrophobicContact CB-CG1 3.88Å; E148-V425 HydrophobicContact CG-CG1 4.11Å; E148-K430 WeakPolarHBondContact OE2-CE 3.42Å; E148-K430 IonicContact OE2-NZ 2.79Å
149	L	97.6	Very high	95.1	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-41.4	175.4	-72.9	164.6	0	0	0	112	A133 Y135 M138 S145 L146 H151 Q152 V153 I190 Y407	A133-L149 HydrophobicContact CB-CD2 3.89Å; Y135-L149 HydrophobicContact CD1-CD1 3.88Å; Y135-L149 HydrophobicContact CD1-CD2 4.24Å; Y135-L149 HydrophobicContact CE1-CD1 3.44Å; Y135-L149 VanDerWaalsContact CE1-CD1 3.44Å; Y135-L149 HydrophobicContact CE1-CD2 3.82Å; Y135-L149 HydrophobicContact CE1-CG 4.28Å; Y135-L149 HydrophobicContact CE2-CD1 4.37Å; M138-L149 HydrophobicContact CE-CD1 3.3Å; S145-L149 WeakPolarHBondContact O-CG 3.47Å; S145-L149 PolarHBondContact O-N 3.24Å; L146-L149 PolarHBondContact O-N 3.15Å; L149-H151 VanDerWaalsContact C-N 3.34Å; L149-H151 PolarHBondContact O-N 2.88Å; L149-Q152 PolarHBondContact O-N 2.98Å; L149-V153 WeakPolarHBondContact O-CB 3.45Å; L149-V153 WeakPolarHBondContact O-CG2 3.31Å; L149-V153 PolarHBondContact O-N 2.03Å; L149-I190 HydrophobicContact CB-CD1 3.65Å; L149-Y407 HydrophobicContact CD1-CD1 4.5Å; L149-Y407 HydrophobicContact CD2-CD1 3.91Å; L149-Y407 HydrophobicContact CD2-CD2 3.77Å; L149-Y407 HydrophobicContact CD2-CE1 3.99Å; L149-Y407 HydrophobicContact CD2-CE2 3.86Å; L149-Y407 HydrophobicContact CD2-CG 3.8Å; L149-Y407 HydrophobicContact CG-CD1 4Å; L149-Y407 HydrophobicContact CG-CE1 4.13Å; L149-Y407 HydrophobicContact CG-CG 4.32Å
150	I	97.5	Very high	95.2	Very high	43 Å²	43	48.4 Å²	48.4	22%	0.221	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-48.1	173.5	-69.7	171	0	0	0	109.8	L146 E148 Q152 V153 K154 P189 I190	L146-I150 HydrophobicContact CD1-CD1 4.01Å; L146-I150 HydrophobicContact CD1-CG1 4.06Å; L146-I150 HydrophobicContact CD2-CD1 4.46Å; L146-I150 HydrophobicContact CG-CD1 3.86Å; L146-I150 HydrophobicContact CG-CG1 4.32Å; L146-I150 VanDerWaalsContact O-CG1 3.3Å; L146-I150 WeakPolarHBondContact O-CG1 3.32Å; L146-I150 PolarHBondContact O-N 3.12Å; E148-I150 VanDerWaalsContact C-N 3.33Å; E148-I150 PolarHBondContact O-N 2.83Å; I150-Q152 PolarHBondContact O-N 3.47Å; I150-V153 PolarHBondContact O-N 2.93Å; I150-K154 HydrophobicContact CG2-CB 4.34Å; I150-K154 HydrophobicContact CG2-CD 4.38Å; I150-K154 WeakPolarHBondContact O-CA 3.44Å; I150-K154 WeakPolarHBondContact O-CB 3.1Å; I150-K154 PolarHBondContact O-N 3.39Å; I150-P189 HydrophobicContact CD1-CB 4.34Å; I150-P189 HydrophobicContact CD1-CG 4.34Å; I150-P189 HydrophobicContact CG1-CB 4.23Å; I150-P189 HydrophobicContact CG2-CB 4.27Å; I150-I190 HydrophobicContact CG1-CD1 3.87Å; I150-I190 HydrophobicContact CG1-CG1 3.9Å
151	H	96.5	Very high	95.4	Very high	71 Å²	71	48.1 Å²	48.1	33%	0.329	26%	0.257	S	S	.	.	I	π-helix	trans	-58.4	-48.4	178.7	178.8	54.1	0	0	0	111.9	P147 E148 L149 V153 D155 L156	P147-H151 PolarHBondContact O-N 3.4Å; P147-H151 VanDerWaalsContact O-N 3.08Å; E148-H151 WeakPolarHBondContact O-CB 3.34Å; E148-H151 PolarHBondContact O-N 3.14Å; E148-H151 VanDerWaalsContact O-N 3.17Å; L149-H151 VanDerWaalsContact C-N 3.34Å; L149-H151 PolarHBondContact O-N 2.88Å; H151-V153 PolarHBondContact O-N 3.33Å; H151-D155 IonicContact CE1-OD2 3.75Å; H151-D155 IonicContact CG-OD2 2.98Å; H151-D155 IonicContact ND1-OD2 2.67Å; H151-D155 PolarHBondContact ND1-OD2 2.69Å; H151-D155 WeakPolarHBondContact O-CA 3.13Å; H151-D155 VanDerWaalsContact O-CB 3.31Å; H151-D155 WeakPolarHBondContact O-CB 3.37Å; H151-D155 PolarHBondContact O-N 3.43Å; H151-L156 PolarHBondContact O-N 2.97Å; H151-L156 VanDerWaalsContact O-N 3.16Å
152	Q	97.5	Very high	95.8	Very high	24 Å²	24	45.4 Å²	45.4	11%	0.112	24%	0.24	C	C	.	.	I	π-helix	trans	-62.7	-40.9	-179.4	-67.8	-71.2	-24.5	0	0	112.8	E148 L149 I150 L156 N157 S158 Y159	E148-Q152 HydrophobicContact CG-CG 4.39Å; E148-Q152 VanDerWaalsContact O-CG 3.25Å; E148-Q152 WeakPolarHBondContact O-CG 3.45Å; E148-Q152 PolarHBondContact O-N 3.15Å; E148-Q152 WeakPolarHBondContact OE1-CG 3.47Å; E148-Q152 PolarHBondContact OE1-NE2 2.86Å; L149-Q152 PolarHBondContact O-N 2.98Å; I150-Q152 PolarHBondContact O-N 3.47Å; Q152-L156 CarbonylContact O-C 3.59Å; Q152-N157 PolarHBondContact O-N 3.22Å; Q152-S158 WeakPolarHBondContact O-CB 3.13Å; Q152-S158 PolarHBondContact O-N 2.62Å; Q152-S158 PolarHBondContact OE1-OG 2.94Å; Q152-Y159 HydrophobicContact CB-CD2 3.88Å; Q152-Y159 HydrophobicContact CB-CE2 3.51Å; Q152-Y159 HydrophobicContact CG-CE2 3.98Å
153	V	97.5	Very high	96.5	Very high	2 Å²	2	40 Å²	40	1%	0.012	21%	0.211	C	C	.	.	I	π-helix	trans	-82.3	-47.4	-177.3	174	0	0	0	0	111.6	L149 I150 H151 Y159 I190 K193 I194	L149-V153 WeakPolarHBondContact O-CB 3.45Å; L149-V153 WeakPolarHBondContact O-CG2 3.31Å; L149-V153 PolarHBondContact O-N 2.03Å; I150-V153 PolarHBondContact O-N 2.93Å; H151-V153 PolarHBondContact O-N 3.33Å; V153-Y159 HydrophobicContact CG2-CD2 4.03Å; V153-I190 HydrophobicContact CB-CG1 4.37Å; V153-I190 HydrophobicContact CB-CG2 4.47Å; V153-I190 HydrophobicContact CG1-CG2 4.26Å; V153-I190 HydrophobicContact CG2-CG1 4.46Å; V153-I190 HydrophobicContact CG2-CG2 4.09Å; V153-K193 HydrophobicContact CG1-CB 4.41Å; V153-K193 HydrophobicContact CG1-CD 4.26Å; V153-K193 HydrophobicContact CG1-CG 4.45Å; V153-K193 WeakPolarHBondContact O-CE 3.44Å; V153-K193 PolarHBondContact O-NZ 2.89Å; V153-I194 HydrophobicContact CB-CD1 4.32Å; V153-I194 HydrophobicContact CG1-CD1 3.72Å; V153-I194 HydrophobicContact CG1-CG1 3.89Å; V153-I194 HydrophobicContact CG1-CG2 4.23Å; V153-I194 HydrophobicContact CG2-CD1 3.59Å
154	K	94.4	Very high	96.9	Very high	116 Å²	116	39.3 Å²	39.3	50%	0.504	21%	0.206	S	C	.	.	I	π-helix	trans	-77.4	-47.7	-172.8	-168.9	-178.2	175.5	-173.8	0	111.6	I150 K193	I150-K154 HydrophobicContact CG2-CB 4.34Å; I150-K154 HydrophobicContact CG2-CD 4.38Å; I150-K154 WeakPolarHBondContact O-CA 3.44Å; I150-K154 WeakPolarHBondContact O-CB 3.1Å; I150-K154 PolarHBondContact O-N 3.39Å; K154-K193 PolarHBondContact O-NZ 3.43Å
155	D	94.8	Very high	97.1	Very high	95 Å²	95	35.2 Å²	35.2	51%	0.508	18%	0.184	S	C	.	.	I	π-helix	trans	-95	-41.4	-169.1	-51.5	-30.2	0	0	0	111.5	H151	H151-D155 IonicContact CE1-OD2 3.75Å; H151-D155 IonicContact CG-OD2 2.98Å; H151-D155 IonicContact ND1-OD2 2.67Å; H151-D155 PolarHBondContact ND1-OD2 2.69Å; H151-D155 WeakPolarHBondContact O-CA 3.13Å; H151-D155 VanDerWaalsContact O-CB 3.31Å; H151-D155 WeakPolarHBondContact O-CB 3.37Å; H151-D155 PolarHBondContact O-N 3.43Å
156	L	96.4	Very high	97.2	Very high	89 Å²	89	35.2 Å²	35.2	47%	0.466	18%	0.184	S	C	.	.	S	Bend	trans	-96.1	-18.2	-175.4	-57.5	-177.2	0	0	0	114.3	H151 Q152 S158	H151-L156 PolarHBondContact O-N 2.97Å; H151-L156 VanDerWaalsContact O-N 3.16Å; Q152-L156 CarbonylContact O-C 3.59Å; L156-S158 WeakPolarHBondContact CB-OG 3.27Å; L156-S158 PolarHBondContact O-N 2.56Å
157	N	95.9	Very high	97.2	Very high	104 Å²	104	34.5 Å²	34.5	56%	0.556	18%	0.18	S	C	*	.			trans	53.3	40.1	-171.2	-50.6	-79	0	0	0	112.2	Q152 Y159 K193	Q152-N157 PolarHBondContact O-N 3.22Å; N157-Y159 VanDerWaalsContact C-N 3.32Å; N157-Y159 PolarHBondContact O-N 2.77Å; N157-K193 VanDerWaalsContact OD1-CE 3.22Å; N157-K193 WeakPolarHBondContact OD1-CE 3.42Å; N157-K193 PolarHBondContact OD1-NZ 2.85Å
158	S	97.2	Very high	97.3	Very high	27 Å²	27	30.7 Å²	30.7	19%	0.189	16%	0.156	C	C	.	.			trans	-75.5	-13.3	-172.5	-71.2	0	0	0	0	115.6	K131 Q152 L156	K131-S158 WeakPolarHBondContact CD-O 3.36Å; K131-S158 WeakPolarHBondContact CE-O 3.31Å; K131-S158 PolarHBondContact NZ-O 2.91Å; K131-S158 VanDerWaalsContact NZ-O 3.09Å; Q152-S158 WeakPolarHBondContact O-CB 3.13Å; Q152-S158 PolarHBondContact O-N 2.62Å; Q152-S158 PolarHBondContact OE1-OG 2.94Å; L156-S158 WeakPolarHBondContact CB-OG 3.27Å; L156-S158 PolarHBondContact O-N 2.56Å
159	Y	98.5	Very high	97.4	Very high	6 Å²	6	30 Å²	30	2%	0.024	15%	0.153	C	C	.	.			trans	-135.2	146.6	-172.8	-61.2	-68.8	0	0	0	110.7	K131 A133 Q152 V153 N157 Y407 R409	K131-Y159 HydrophobicContact CG-CD1 3.92Å; K131-Y159 HydrophobicContact CG-CE1 4.17Å; K131-Y159 CarbonylContact O-C 3.41Å; K131-Y159 WeakPolarHBondContact O-CA 3.43Å; A133-Y159 HydrophobicContact CB-CD1 3.96Å; A133-Y159 HydrophobicContact CB-CD2 4.03Å; A133-Y159 HydrophobicContact CB-CE1 4.12Å; A133-Y159 HydrophobicContact CB-CE2 4.16Å; A133-Y159 HydrophobicContact CB-CG 3.97Å; Q152-Y159 HydrophobicContact CB-CD2 3.88Å; Q152-Y159 HydrophobicContact CB-CE2 3.51Å; Q152-Y159 HydrophobicContact CG-CE2 3.98Å; V153-Y159 HydrophobicContact CG2-CD2 4.03Å; N157-Y159 VanDerWaalsContact C-N 3.32Å; N157-Y159 PolarHBondContact O-N 2.77Å; Y159-Y407 HydrophobicContact CE2-CE2 4.17Å; Y159-Y407 AromaticContact CZ-CE2 3.86Å; Y159-Y407 VanDerWaalsContact OH-CE2 3.3Å; Y159-Y407 WeakPolarHBondContact OH-CE2 3.49Å; Y159-Y407 PolarHBondContact OH-OH 2.94Å; Y159-R409 HydrophobicContact CE1-CB 4.21Å; Y159-R409 HydrophobicContact CE1-CG 3.83Å; Y159-R409 WeakPolarHBondContact OH-CD 3.46Å
160	D	97.9	Very high	97.3	Very high	47 Å²	47	30.6 Å²	30.6	25%	0.251	16%	0.155	S	C	.	.	S	Bend	trans	-93.3	-24.2	176.2	-59	-63.9	0	0	0	112.3	L122 W128 K131 P195	L122-D160 HydrophobicContact CD2-CB 4.04Å; W128-D160 HydrophobicContact CH2-CB 4.07Å; W128-D160 HydrophobicContact CZ3-CB 4.15Å; W128-D160 WeakPolarHBondContact CZ3-OD2 3.29Å; K131-D160 PolarHBondContact N-OD2 3Å; K131-D160 PolarHBondContact O-N 2.7Å; D160-P195 WeakPolarHBondContact O-CD 3.33Å
161	M	98.1	Very high	97.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	158.9	-174.4	-174.4	169.7	67.9	0	0	111.7	L37 L132 A133 L163 P195 M197 F230 V232 I237	L37-M161 HydrophobicContact CD1-SD 3.69Å; L37-M161 HydrophobicContact CG-SD 4.29Å; L132-M161 WeakPolarHBondContact CA-O 3.37Å; L132-M161 HydrophobicContact CD2-CE 3.2Å; L132-M161 HydrophobicContact CG-CB 4.39Å; L132-M161 HydrophobicContact CG-CE 3.86Å; A133-M161 PolarHBondContact N-O 2.66Å; M161-L163 HydrophobicContact CE-CD2 3.79Å; M161-P195 WeakPolarHBondContact CA-O 3.33Å; M161-P195 HydrophobicContact CG-CB 4Å; M161-P195 VanDerWaalsContact CG-O 3.26Å; M161-P195 WeakPolarHBondContact CG-O 3.26Å; M161-P195 HydrophobicContact SD-CB 4.28Å; M161-M197 HydrophobicContact CE-CG 4.4Å; M161-M197 HydrophobicContact CG-CG 3.87Å; M161-M197 HydrophobicContact SD-CG 3.37Å; M161-M197 WeakPolarHBondContact SD-CG 3.43Å; M161-M197 HydrophobicContact SD-SD 4.32Å; M161-F230 HydrophobicContact CE-CE2 3.68Å; M161-F230 HydrophobicContact CE-CZ 3.91Å; M161-F230 HydrophobicContact SD-CE2 3.93Å; M161-F230 HydrophobicContact SD-CZ 4.19Å; M161-V232 HydrophobicContact CE-CG1 4.11Å; M161-V232 HydrophobicContact CE-CG2 4.49Å; M161-I237 HydrophobicContact CE-CD1 4.36Å
162	V	98.7	Very high	97.3	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.4	169	171.7	0	0	0	0	110.5	A133 Y135 H164 I190 I194 P195 Y196 M197	A133-V162 HydrophobicContact CB-CG2 4.41Å; A133-V162 CarbonylContact O-C 3.55Å; A133-V162 VanDerWaalsContact O-CA 3.31Å; A133-V162 WeakPolarHBondContact O-CA 3.03Å; Y135-V162 HydrophobicContact CE1-CG1 3.71Å; Y135-V162 HydrophobicContact CE1-CG2 4.48Å; Y135-V162 HydrophobicContact CE2-CG1 4.38Å; Y135-V162 WeakPolarHBondContact OH-CG1 3.35Å; V162-H164 HydrophobicContact CG1-CB 4.33Å; V162-I190 HydrophobicContact CG2-CG2 3.8Å; V162-I194 HydrophobicContact CG2-CD1 3.9Å; V162-I194 HydrophobicContact CG2-CG1 4.46Å; V162-P195 PolarHBondContact N-O 2.73Å; V162-Y196 HydrophobicContact CB-CD2 3.83Å; V162-Y196 HydrophobicContact CB-CE2 4.04Å; V162-Y196 HydrophobicContact CB-CG 4.32Å; V162-Y196 HydrophobicContact CG1-CD2 3.92Å; V162-Y196 HydrophobicContact CG1-CE1 4.36Å; V162-Y196 HydrophobicContact CG1-CE2 3.67Å; V162-Y196 HydrophobicContact CG1-CG 4.38Å; V162-Y196 HydrophobicContact CG2-CD2 4.05Å; V162-Y196 HydrophobicContact CG2-CE2 4.13Å; V162-M197 PolarHBondContact O-N 2.73Å
163	L	98.8	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.4	159.1	-51.4	-178	0	0	0	108.7	L132 A133 V134 Y135 M161 M197 F230 I237 I284 M410	L132-L163 HydrophobicContact CD2-CD1 3.79Å; L132-L163 HydrophobicContact CD2-CD2 4.07Å; L132-L163 HydrophobicContact CD2-CG 3.82Å; A133-L163 PolarHBondContact O-N 3.13Å; V134-L163 WeakPolarHBondContact CA-O 3.42Å; V134-L163 HydrophobicContact CB-CB 4.49Å; V134-L163 HydrophobicContact CG1-CB 4.17Å; V134-L163 HydrophobicContact CG2-CB 4.12Å; V134-L163 HydrophobicContact CG2-CD1 4Å; V134-L163 HydrophobicContact CG2-CG 4.19Å; Y135-L163 PolarHBondContact N-O 3.43Å; Y135-L163 VanDerWaalsContact N-O 3.11Å; M161-L163 HydrophobicContact CE-CD2 3.79Å; L163-M197 CarbonylContact C-O 3.53Å; L163-M197 WeakPolarHBondContact CA-O 3.42Å; L163-M197 HydrophobicContact CD2-CB 3.86Å; L163-M197 HydrophobicContact CD2-CG 4.34Å; L163-F230 HydrophobicContact CD2-CZ 4Å; L163-I237 HydrophobicContact CD1-CD1 4.26Å; L163-I237 HydrophobicContact CD1-CG2 4.5Å; L163-I284 HydrophobicContact CB-CD1 4.34Å; L163-I284 HydrophobicContact CD1-CG2 3.96Å; L163-I284 HydrophobicContact CD2-CD1 4.49Å; L163-M410 HydrophobicContact CD1-CE 3.92Å
164	H	98.7	Very high	97.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	110.5	174.6	-165.4	153.8	0	0	0	110.2	Y135 V162 G166 F168 F183 Y196 M197 T198 C199	Y135-H164 HydrophobicContact CE2-CB 4.2Å; Y135-H164 AromaticContact CE2-CE1 3.89Å; Y135-H164 AromaticContact CE2-CG 3.75Å; Y135-H164 AromaticContact CE2-ND1 3.52Å; Y135-H164 CarbonylContact O-C 3.59Å; Y135-H164 WeakPolarHBondContact O-CA 3.46Å; V162-H164 HydrophobicContact CG1-CB 4.33Å; H164-G166 VanDerWaalsContact C-N 3.33Å; H164-G166 PolarHBondContact CD2-O 3.44Å; H164-G166 PolarHBondContact NE2-O 3.11Å; H164-G166 PolarHBondContact O-N 3.45Å; H164-G166 VanDerWaalsContact O-N 3.15Å; H164-F168 HydrophobicContact CB-CE1 3.62Å; H164-F168 HydrophobicContact CB-CZ 3.94Å; H164-F168 AromaticContact CD2-CE1 3.6Å; H164-F168 AromaticContact CD2-CZ 3.84Å; H164-F168 AromaticContact CE1-CD1 3.52Å; H164-F168 AromaticContact CE1-CE1 3.67Å; H164-F168 AromaticContact CG-CD1 3.9Å; H164-F168 AromaticContact CG-CE1 3.2Å; H164-F168 AromaticContact CG-CZ 3.73Å; H164-F168 AromaticContact ND1-CD1 3.49Å; H164-F168 WeakPolarHBondContact ND1-CD1 3.03Å; H164-F168 AromaticContact ND1-CE1 3.22Å; H164-F168 WeakPolarHBondContact ND1-CE1 3.43Å; H164-F168 AromaticContact NE2-CD1 3.91Å; H164-F168 AromaticContact NE2-CE1 3.91Å; H164-F183 AromaticContact CE1-CZ 3.68Å; H164-Y196 HydrophobicContact CB-CD1 4.49Å; H164-Y196 HydrophobicContact CB-CE1 3.6Å; H164-Y196 AromaticContact ND1-CE1 3.74Å; H164-Y196 AromaticContact ND1-CZ 3.64Å; H164-Y196 PolarHBondContact ND1-OH 2.93Å; H164-M197 PolarHBondContact N-O 2.82Å; H164-T198 HydrophobicContact CB-CG2 4.22Å; H164-T198 VanDerWaalsContact O-CA 3.3Å; H164-T198 WeakPolarHBondContact O-CA 3.29Å; H164-C199 PolarHBondContact O-N 2.88Å; H164-C199 VanDerWaalsContact O-N 3.07Å
165	V	98.3	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	56.4	-167.8	-161.5	0	0	0	0	112	V134 Y135 C199 I284 G285 H286 I339	V134-V165 HydrophobicContact CG1-CG2 4.02Å; Y135-V165 PolarHBondContact O-N 3.34Å; V165-C199 VanDerWaalsContact CA-SG 3.59Å; V165-I284 HydrophobicContact CG1-CB 4.43Å; V165-I284 HydrophobicContact CG2-CB 4.48Å; V165-G285 WeakPolarHBondContact CG1-O 3.44Å; V165-H286 PolarHBondContact O-ND1 3.14Å; V165-I339 HydrophobicContact CG2-CG2 4.19Å
166	G	98	Very high	97.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	82.4	172.5	174	0	0	0	0	0	115.9	D137 H164 C199	D137-G166 PolarHBondContact N-O 2.99Å; D137-G166 VanDerWaalsContact N-O 3.1Å; H164-G166 VanDerWaalsContact C-N 3.33Å; H164-G166 PolarHBondContact CD2-O 3.44Å; H164-G166 PolarHBondContact NE2-O 3.11Å; H164-G166 PolarHBondContact O-N 3.45Å; H164-G166 VanDerWaalsContact O-N 3.15Å; G166-C199 VanDerWaalsContact CA-O 3.24Å; G166-C199 WeakPolarHBondContact CA-O 3.3Å; G166-C199 PolarHBondContact N-O 2.79Å
167	D	98.1	Very high	97.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.123	C	C	.	.			trans	58.2	68.8	179.4	-74.1	-2.1	0	0	0	113.7	Y170 G201 N202 H203 E204 H286	D167-Y170 HydrophobicContact CB-CE2 4.44Å; D167-G201 VanDerWaalsContact OD1-C 3.26Å; D167-G201 WeakPolarHBondContact OD1-CA 3.04Å; D167-N202 PolarHBondContact OD1-N 3.09Å; D167-H203 HydrophobicContact CB-CB 4.4Å; D167-H203 VanDerWaalsContact CG-CD2 3.45Å; D167-H203 WeakPolarHBondContact OD1-CB 3.49Å; D167-H203 IonicContact OD1-CD2 2.66Å; D167-H203 IonicContact OD1-CG 3.43Å; D167-H203 PolarHBondContact OD1-N 3.2Å; D167-H203 IonicContact OD2-CD2 3.07Å; D167-H203 PolarHBondContact OD2-CD2 2.83Å; D167-E204 PolarHBondContact N-OE2 2.92Å; D167-H286 IonicContact OD1-CD2 3.58Å; D167-H286 IonicContact OD1-CE1 2.71Å; D167-H286 IonicContact OD1-NE2 2.61Å; D167-H286 PolarHBondContact OD1-NE2 3.5Å; D167-H286 IonicContact OD2-CE1 3.84Å; D167-H286 PolarHBondContact OD2-CE1 2.85Å; D167-H286 IonicContact OD2-NE2 2.66Å; D167-H286 PolarHBondContact OD2-NE2 3.04Å
168	F	97.3	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.			trans	-88.5	138.4	178	-54.7	-94.2	0	0	0	110.2	H164 Y170 M172 F183 Y196 T198 C199 E204 Y212 F216	H164-F168 HydrophobicContact CB-CE1 3.62Å; H164-F168 HydrophobicContact CB-CZ 3.94Å; H164-F168 AromaticContact CD2-CE1 3.6Å; H164-F168 AromaticContact CD2-CZ 3.84Å; H164-F168 AromaticContact CE1-CD1 3.52Å; H164-F168 AromaticContact CE1-CE1 3.67Å; H164-F168 AromaticContact CG-CD1 3.9Å; H164-F168 AromaticContact CG-CE1 3.2Å; H164-F168 AromaticContact CG-CZ 3.73Å; H164-F168 AromaticContact ND1-CD1 3.49Å; H164-F168 WeakPolarHBondContact ND1-CD1 3.03Å; H164-F168 AromaticContact ND1-CE1 3.22Å; H164-F168 WeakPolarHBondContact ND1-CE1 3.43Å; H164-F168 AromaticContact NE2-CD1 3.91Å; H164-F168 AromaticContact NE2-CE1 3.91Å; F168-Y170 PolarHBondContact O-N 3.23Å; F168-M172 HydrophobicContact CB-CE 3.26Å; F168-M172 HydrophobicContact CB-CG 4.41Å; F168-M172 HydrophobicContact CD1-CE 4.35Å; F168-M172 HydrophobicContact CD2-CE 4.41Å; F168-M172 HydrophobicContact CG-CE 3.79Å; F168-F183 HydrophobicContact CB-CD1 4.25Å; F168-F183 HydrophobicContact CB-CE1 3.87Å; F168-F183 HydrophobicContact CB-CZ 4.07Å; F168-F183 AromaticContact CD1-CE1 3.62Å; F168-F183 HydrophobicContact CD1-CE1 3.62Å; F168-F183 AromaticContact CD1-CZ 3.7Å; F168-F183 HydrophobicContact CD1-CZ 3.7Å; F168-F183 HydrophobicContact CG-CE1 4.21Å; F168-F183 HydrophobicContact CG-CZ 4.37Å; F168-Y196 HydrophobicContact CE1-CE1 4.26Å; F168-T198 HydrophobicContact CE1-CG2 3.66Å; F168-T198 HydrophobicContact CZ-CG2 3.59Å; F168-C199 VanDerWaalsContact CE2-O 3.25Å; F168-C199 WeakPolarHBondContact CE2-O 3.24Å; F168-E204 VanDerWaalsContact CD2-CD 3.46Å; F168-E204 HydrophobicContact CD2-CG 3.99Å; F168-E204 WeakPolarHBondContact CD2-OE2 3.37Å; F168-E204 PolarHBondContact N-OE1 3.35Å; F168-Y212 HydrophobicContact CD2-CD2 4.28Å; F168-Y212 HydrophobicContact CD2-CE2 4.44Å; F168-Y212 HydrophobicContact CE2-CD2 4.06Å; F168-Y212 AromaticContact CE2-CE2 3.79Å; F168-Y212 HydrophobicContact CE2-CE2 3.79Å; F168-Y212 HydrophobicContact CZ-CE2 4.34Å; F168-F216 HydrophobicContact CD1-CE2 4.33Å; F168-F216 AromaticContact CD1-CZ 3.77Å; F168-F216 HydrophobicContact CD1-CZ 3.77Å; F168-F216 HydrophobicContact CD2-CE2 4.36Å; F168-F216 HydrophobicContact CE1-CE1 4.47Å; F168-F216 HydrophobicContact CE1-CE2 4.42Å; F168-F216 AromaticContact CE1-CZ 3.85Å; F168-F216 HydrophobicContact CE1-CZ 3.85Å; F168-F216 HydrophobicContact CE2-CE2 4.5Å; F168-F216 HydrophobicContact CG-CE2 4.33Å; F168-F216 HydrophobicContact CG-CZ 4.19Å; F168-F216 HydrophobicContact CZ-CZ 4.39Å
169	A	96.8	Very high	97.6	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.017	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-15.2	174.1	0	0	0	0	0	116.5	A140 M172 V179 F183	A140-A169 HydrophobicContact CB-CB 4.2Å; A169-M172 HydrophobicContact CB-CG 3.94Å; A169-V179 HydrophobicContact CB-CG1 4.09Å; A169-F183 HydrophobicContact CB-CB 3.41Å; A169-F183 VanDerWaalsContact CB-CB 3.41Å; A169-F183 HydrophobicContact CB-CD1 4.38Å; A169-F183 HydrophobicContact CB-CD2 4.02Å; A169-F183 HydrophobicContact CB-CG 3.67Å
170	Y	95.6	Very high	97.6	Very high	13 Å²	13	21.2 Å²	21.2	5%	0.051	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	69.4	-167.7	-76	-111.4	0	0	0	110.8	D137 D167 F168 H203 H344 S383 E385	D137-Y170 WeakPolarHBondContact CA-OH 3.17Å; D137-Y170 WeakPolarHBondContact CB-OH 3.35Å; D137-Y170 PolarHBondContact O-OH 2.88Å; D167-Y170 HydrophobicContact CB-CE2 4.44Å; F168-Y170 PolarHBondContact O-N 3.23Å; Y170-H203 AromaticContact CD1-CE1 3.73Å; Y170-H203 AromaticContact CD1-NE2 3.96Å; Y170-H344 AromaticContact CE1-CE1 3.76Å; Y170-H344 AromaticContact CE1-NE2 3.75Å; Y170-H344 AromaticContact CZ-CE1 3.97Å; Y170-H344 AromaticContact CZ-NE2 3.61Å; Y170-H344 PolarHBondContact OH-CD2 2.83Å; Y170-H344 PolarHBondContact OH-CE1 3.25Å; Y170-H344 VanDerWaalsContact OH-CE1 3.31Å; Y170-H344 PolarHBondContact OH-NE2 3.19Å; Y170-S383 WeakPolarHBondContact OH-CB 3.38Å; Y170-S383 PolarHBondContact OH-OG 2.82Å; Y170-E385 HydrophobicContact CD1-CB 4.45Å; Y170-E385 HydrophobicContact CD1-CG 3.65Å; Y170-E385 HydrophobicContact CE1-CB 4.01Å; Y170-E385 HydrophobicContact CE1-CG 3.66Å
171	N	96.4	Very high	97.6	Very high	59 Å²	59	19.1 Å²	19.1	32%	0.316	10%	0.099	S	C	.	.			trans	82.7	86.1	-174.1	-48.9	-56.7	0	0	0	113.1	D173 T174 H203	N171-D173 PolarHBondContact O-N 2.95Å; N171-D173 VanDerWaalsContact O-N 3.13Å; N171-T174 WeakPolarHBondContact CB-OG1 3.3Å; N171-T174 WeakPolarHBondContact O-CB 3.36Å; N171-T174 PolarHBondContact O-N 3.18Å; N171-T174 VanDerWaalsContact O-N 3.08Å; N171-T174 PolarHBondContact O-OG1 3.47Å; N171-T174 VanDerWaalsContact O-OG1 3.13Å; N171-H203 WeakPolarHBondContact CA-O 3.44Å; N171-H203 PolarHBondContact ND2-ND1 2.78Å; N171-H203 PolarHBondContact OD1-ND1 3.43Å; N171-H203 VanDerWaalsContact OD1-ND1 3.09Å; N171-H203 PolarHBondContact OD1-O 3.41Å
172	M	97.3	Very high	97.6	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.1	176.3	-72.7	-162.8	171.8	0	0	113.9	F168 A169 T174 A177 G180 F183 M184 N211 R215 F216	F168-M172 HydrophobicContact CB-CE 3.26Å; F168-M172 HydrophobicContact CB-CG 4.41Å; F168-M172 HydrophobicContact CD1-CE 4.35Å; F168-M172 HydrophobicContact CD2-CE 4.41Å; F168-M172 HydrophobicContact CG-CE 3.79Å; A169-M172 HydrophobicContact CB-CG 3.94Å; M172-T174 VanDerWaalsContact C-N 3.29Å; M172-A177 VanDerWaalsContact O-CA 3.25Å; M172-A177 WeakPolarHBondContact O-CA 3.29Å; M172-G180 WeakPolarHBondContact O-CA 3.31Å; M172-G180 PolarHBondContact O-N 3.4Å; M172-F183 HydrophobicContact CE-CD1 4.08Å; M172-F183 HydrophobicContact CE-CE1 4.35Å; M172-M184 HydrophobicContact CE-SD 4.37Å; M172-N211 HydrophobicContact CB-CB 3.8Å; M172-N211 HydrophobicContact SD-CB 4.26Å; M172-R215 VanDerWaalsContact SD-CD 3.55Å; M172-F216 HydrophobicContact CE-CE2 3.48Å; M172-F216 VanDerWaalsContact CE-CE2 3.48Å; M172-F216 HydrophobicContact CE-CZ 3.68Å; M172-F216 HydrophobicContact SD-CE2 4.44Å
173	D	97.7	Very high	97.5	Very high	32 Å²	32	22.7 Å²	22.7	17%	0.171	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.1	-178.6	67.1	-61	0	0	0	114	N171 N176 A177 A206 Y207	N171-D173 PolarHBondContact O-N 2.95Å; N171-D173 VanDerWaalsContact O-N 3.13Å; D173-N176 PolarHBondContact O-N 2.91Å; D173-A177 PolarHBondContact O-N 2.61Å; D173-A206 HydrophobicContact CB-CB 3.89Å; D173-A206 WeakPolarHBondContact OD1-CB 3.22Å; D173-A206 WeakPolarHBondContact OD2-CB 3.31Å; D173-Y207 HydrophobicContact CB-CD2 4.24Å; D173-Y207 HydrophobicContact CB-CE2 3.77Å
174	T	97.2	Very high	97.5	Very high	64 Å²	64	22.8 Å²	22.8	39%	0.393	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	140.9	178.8	-61.9	0	0	0	0	111.6	N171 M172 N176 A177 R178 V179	N171-T174 WeakPolarHBondContact CB-OG1 3.3Å; N171-T174 WeakPolarHBondContact O-CB 3.36Å; N171-T174 PolarHBondContact O-N 3.18Å; N171-T174 VanDerWaalsContact O-N 3.08Å; N171-T174 PolarHBondContact O-OG1 3.47Å; N171-T174 VanDerWaalsContact O-OG1 3.13Å; M172-T174 VanDerWaalsContact C-N 3.29Å; T174-N176 VanDerWaalsContact C-N 3.33Å; T174-N176 PolarHBondContact O-N 3.44Å; T174-A177 PolarHBondContact O-N 2.89Å; T174-R178 PolarHBondContact O-N 3.24Å; T174-V179 HydrophobicContact CG2-CG2 3.73Å; T174-V179 PolarHBondContact O-N 3.21Å
175	D	97	Very high	97.5	Very high	86 Å²	86	27.7 Å²	27.7	46%	0.46	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	49.2	-173.4	-174.8	18.1	0	0	0	112.4	A177 R178 V179	D175-A177 PolarHBondContact O-N 2.85Å; D175-R178 HydrophobicContact CB-CB 4.2Å; D175-R178 VanDerWaalsContact O-CB 3.28Å; D175-R178 WeakPolarHBondContact O-CB 3.23Å; D175-R178 WeakPolarHBondContact O-CG 3.08Å; D175-R178 PolarHBondContact O-N 3Å; D175-R178 VanDerWaalsContact O-N 3.1Å; D175-R178 PolarHBondContact O-NH1 3.44Å; D175-R178 IonicContact OD1-NH1 3.28Å; D175-R178 PolarHBondContact OD1-NH1 3.41Å; D175-R178 VanDerWaalsContact OD1-NH1 3.12Å; D175-R178 WeakPolarHBondContact OD2-CD 3.47Å; D175-V179 HydrophobicContact CB-CG2 4.46Å
176	N	97.1	Very high	97.4	Very high	23 Å²	23	30.1 Å²	30.1	12%	0.123	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	52.7	179.3	-50.3	-93.7	0	0	0	111.6	D79 R82 E83 R85 D173 T174 R178	D79-N176 VanDerWaalsContact OD2-CA 3.29Å; D79-N176 WeakPolarHBondContact OD2-CA 3.38Å; R82-N176 PolarHBondContact N-OD1 2.75Å; R82-N176 VanDerWaalsContact N-OD1 3.11Å; E83-N176 HydrophobicContact CB-CB 4.12Å; E83-N176 WeakPolarHBondContact CB-OD1 3.46Å; E83-N176 HydrophobicContact CG-CB 4.45Å; E83-N176 PolarHBondContact N-OD1 2.86Å; E83-N176 PolarHBondContact OE1-ND2 2.88Å; R85-N176 HydrophobicContact CB-CB 4.12Å; R85-N176 WeakPolarHBondContact CD-O 3.38Å; R85-N176 PolarHBondContact NH1-O 2.77Å; D173-N176 PolarHBondContact O-N 2.91Å; T174-N176 VanDerWaalsContact C-N 3.33Å; T174-N176 PolarHBondContact O-N 3.44Å; N176-R178 VanDerWaalsContact C-N 3.29Å; N176-R178 PolarHBondContact O-N 3.38Å
177	A	97.6	Very high	97.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	8.8	-176.9	0	0	0	0	0	117.6	D79 R85 M172 D173 T174 D175 G180 D181 N211 R215	D79-A177 HydrophobicContact CB-CB 3.86Å; R85-A177 PolarHBondContact NH1-O 3.08Å; M172-A177 VanDerWaalsContact O-CA 3.25Å; M172-A177 WeakPolarHBondContact O-CA 3.29Å; D173-A177 PolarHBondContact O-N 2.61Å; T174-A177 PolarHBondContact O-N 2.89Å; D175-A177 PolarHBondContact O-N 2.85Å; A177-G180 PolarHBondContact O-N 3.03Å; A177-D181 PolarHBondContact O-N 2.71Å; A177-N211 WeakPolarHBondContact CB-OD1 3.28Å; A177-R215 PolarHBondContact O-NH2 3.07Å
178	R	97.5	Very high	97.5	Very high	84 Å²	84	32.8 Å²	32.8	32%	0.317	16%	0.16	S	C	.	.	H	α-helix	trans	-73	-31.4	-179.6	-70.6	177.8	-177.3	95.8	5	113.2	E83 T174 D175 N176 G180 D181 Q182	E83-R178 IonicContact OE1-CZ 2.61Å; E83-R178 IonicContact OE1-NH1 3.67Å; E83-R178 PolarHBondContact OE1-NH1 3.49Å; E83-R178 IonicContact OE1-NH2 3.38Å; E83-R178 IonicContact OE2-CZ 3.31Å; E83-R178 IonicContact OE2-NH1 3.61Å; E83-R178 PolarHBondContact OE2-NH1 3.3Å; E83-R178 VanDerWaalsContact OE2-NH1 3.13Å; E83-R178 IonicContact OE2-NH2 3.59Å; E83-R178 PolarHBondContact OE2-NH2 2.85Å; T174-R178 PolarHBondContact O-N 3.24Å; D175-R178 HydrophobicContact CB-CB 4.2Å; D175-R178 VanDerWaalsContact O-CB 3.28Å; D175-R178 WeakPolarHBondContact O-CB 3.23Å; D175-R178 WeakPolarHBondContact O-CG 3.08Å; D175-R178 PolarHBondContact O-N 3Å; D175-R178 VanDerWaalsContact O-N 3.1Å; D175-R178 PolarHBondContact O-NH1 3.44Å; D175-R178 IonicContact OD1-NH1 3.28Å; D175-R178 PolarHBondContact OD1-NH1 3.41Å; D175-R178 VanDerWaalsContact OD1-NH1 3.12Å; D175-R178 WeakPolarHBondContact OD2-CD 3.47Å; N176-R178 VanDerWaalsContact C-N 3.29Å; N176-R178 PolarHBondContact O-N 3.38Å; R178-G180 VanDerWaalsContact C-N 3.34Å; R178-D181 PolarHBondContact O-N 3.42Å; R178-Q182 PolarHBondContact O-N 3.43Å
179	V	97.3	Very high	97.5	Very high	29 Å²	29	35 Å²	35	18%	0.176	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-41	173.3	173.3	0	0	0	0	110.5	A140 A169 T174 D175 D181 Q182 F183	A140-V179 HydrophobicContact CB-CG1 3.98Å; A169-V179 HydrophobicContact CB-CG1 4.09Å; T174-V179 HydrophobicContact CG2-CG2 3.73Å; T174-V179 PolarHBondContact O-N 3.21Å; D175-V179 HydrophobicContact CB-CG2 4.46Å; V179-D181 VanDerWaalsContact C-N 3.31Å; V179-D181 PolarHBondContact O-N 2.95Å; V179-Q182 WeakPolarHBondContact O-CB 3.24Å; V179-Q182 PolarHBondContact O-N 2.91Å; V179-F183 PolarHBondContact O-N 2.99Å
180	G	97.8	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-41.8	170.9	0	0	0	0	0	112.9	M172 A177 R178 F183 M184	M172-G180 WeakPolarHBondContact O-CA 3.31Å; M172-G180 PolarHBondContact O-N 3.4Å; A177-G180 PolarHBondContact O-N 3.03Å; R178-G180 VanDerWaalsContact C-N 3.34Å; G180-F183 PolarHBondContact O-N 2.77Å; G180-M184 VanDerWaalsContact O-CG 3.27Å; G180-M184 WeakPolarHBondContact O-CG 3.35Å; G180-M184 PolarHBondContact O-N 3.17Å
181	D	97.7	Very high	97.7	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-66.6	-38.9	176.1	-59.3	-43	0	0	0	112.9	Q32 R85 A177 R178 V179 M184 R185 R215	Q32-D181 VanDerWaalsContact NE2-CG 3.35Å; Q32-D181 PolarHBondContact NE2-OD1 2.88Å; Q32-D181 PolarHBondContact OE1-OD1 3.32Å; R85-D181 IonicContact CZ-OD2 2.71Å; R85-D181 IonicContact NH1-OD2 3.78Å; R85-D181 PolarHBondContact NH1-OD2 3.23Å; R85-D181 IonicContact NH2-OD1 2.8Å; R85-D181 IonicContact NH2-OD2 3.27Å; R85-D181 PolarHBondContact NH2-OD2 3.35Å; A177-D181 PolarHBondContact O-N 2.71Å; R178-D181 PolarHBondContact O-N 3.42Å; V179-D181 VanDerWaalsContact C-N 3.31Å; V179-D181 PolarHBondContact O-N 2.95Å; D181-M184 PolarHBondContact O-N 3.09Å; D181-R185 WeakPolarHBondContact O-CB 3.31Å; D181-R185 WeakPolarHBondContact O-CG 3.43Å; D181-R185 PolarHBondContact O-N 3.11Å; D181-R215 IonicContact OD1-CZ 3.85Å; D181-R215 VanDerWaalsContact OD1-CZ 3.3Å; D181-R215 IonicContact OD1-NH1 3.66Å; D181-R215 PolarHBondContact OD1-NH1 3.38Å; D181-R215 IonicContact OD1-NH2 3.91Å; D181-R215 PolarHBondContact OD1-NH2 3.48Å; D181-R215 IonicContact OD2-NH2 3.61Å
182	Q	97.8	Very high	97.8	Very high	77 Å²	77	31.9 Å²	31.9	36%	0.36	16%	0.159	S	C	.	.	H	α-helix	trans	-59.2	-50	174.5	175.1	-178.2	-8.1	0	0	110.4	A140 R178 V179 M184 R185 N186	A140-Q182 HydrophobicContact CB-CG 4.5Å; R178-Q182 PolarHBondContact O-N 3.43Å; V179-Q182 WeakPolarHBondContact O-CB 3.24Å; V179-Q182 PolarHBondContact O-N 2.91Å; Q182-M184 PolarHBondContact O-N 2.96Å; Q182-R185 PolarHBondContact O-N 3.4Å; Q182-N186 PolarHBondContact O-N 2.93Å; Q182-N186 PolarHBondContact O-OD1 3.25Å
183	F	98.1	Very high	97.8	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-47.4	177.3	176.9	-94	0	0	0	112.2	G139 A140 H164 F168 A169 M172 V179 G180 R185 N186 I187	G139-F183 WeakPolarHBondContact O-CD2 3.44Å; A140-F183 HydrophobicContact CB-CB 4.06Å; H164-F183 AromaticContact CE1-CZ 3.68Å; F168-F183 HydrophobicContact CB-CD1 4.25Å; F168-F183 HydrophobicContact CB-CE1 3.87Å; F168-F183 HydrophobicContact CB-CZ 4.07Å; F168-F183 AromaticContact CD1-CE1 3.62Å; F168-F183 HydrophobicContact CD1-CE1 3.62Å; F168-F183 AromaticContact CD1-CZ 3.7Å; F168-F183 HydrophobicContact CD1-CZ 3.7Å; F168-F183 HydrophobicContact CG-CE1 4.21Å; F168-F183 HydrophobicContact CG-CZ 4.37Å; A169-F183 HydrophobicContact CB-CB 3.41Å; A169-F183 VanDerWaalsContact CB-CB 3.41Å; A169-F183 HydrophobicContact CB-CD1 4.38Å; A169-F183 HydrophobicContact CB-CD2 4.02Å; A169-F183 HydrophobicContact CB-CG 3.67Å; M172-F183 HydrophobicContact CE-CD1 4.08Å; M172-F183 HydrophobicContact CE-CE1 4.35Å; V179-F183 PolarHBondContact O-N 2.99Å; G180-F183 PolarHBondContact O-N 2.77Å; F183-R185 VanDerWaalsContact C-N 3.31Å; F183-R185 PolarHBondContact O-N 3.1Å; F183-N186 WeakPolarHBondContact O-CA 3.39Å; F183-N186 VanDerWaalsContact O-CB 3.32Å; F183-N186 WeakPolarHBondContact O-CB 3.3Å; F183-N186 PolarHBondContact O-N 3.08Å; F183-I187 HydrophobicContact CE1-CD1 3.87Å; F183-I187 HydrophobicContact CE1-CG1 4.35Å; F183-I187 HydrophobicContact CE1-CG2 4.04Å; F183-I187 HydrophobicContact CE2-CG2 4.06Å; F183-I187 HydrophobicContact CZ-CD1 4.45Å; F183-I187 HydrophobicContact CZ-CG2 3.71Å; F183-I187 PolarHBondContact O-N 3.09Å
184	M	98.5	Very high	97.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-65.7	-34	-179.5	-67.4	-57.4	-66.4	0	0	112.6	Q32 H34 M172 G180 D181 Q182 I187 Q188 F216	Q32-M184 HydrophobicContact CB-CB 3.73Å; Q32-M184 HydrophobicContact CG-CB 3.59Å; H34-M184 WeakPolarHBondContact ND1-CE 3.42Å; M172-M184 HydrophobicContact CE-SD 4.37Å; G180-M184 VanDerWaalsContact O-CG 3.27Å; G180-M184 WeakPolarHBondContact O-CG 3.35Å; G180-M184 PolarHBondContact O-N 3.17Å; D181-M184 PolarHBondContact O-N 3.09Å; Q182-M184 PolarHBondContact O-N 2.96Å; M184-I187 HydrophobicContact CE-CD1 4.16Å; M184-I187 HydrophobicContact SD-CD1 3.93Å; M184-I187 HydrophobicContact SD-CG1 4.48Å; M184-Q188 PolarHBondContact O-N 2.95Å; M184-Q188 VanDerWaalsContact O-N 3.14Å; M184-F216 HydrophobicContact CE-CE1 4.08Å; M184-F216 HydrophobicContact SD-CE1 4.06Å; M184-F216 HydrophobicContact SD-CZ 3.94Å
185	R	98	Very high	97.9	Very high	104 Å²	104	29.8 Å²	29.8	39%	0.392	14%	0.144	S	C	.	.	H	α-helix	trans	-65.6	-40.1	169.7	-77.2	-174.2	-70.5	-91	-6.1	112	E31 Q32 D181 Q182 F183 I187 Q188	E31-R185 IonicContact OE1-NH1 2.58Å; E31-R185 PolarHBondContact OE1-NH1 2.9Å; E31-R185 WeakPolarHBondContact OE2-CD 3.31Å; E31-R185 IonicContact OE2-CZ 3.79Å; E31-R185 IonicContact OE2-NH1 3.46Å; E31-R185 PolarHBondContact OE2-NH1 3.13Å; Q32-R185 HydrophobicContact CG-CG 4.11Å; D181-R185 WeakPolarHBondContact O-CB 3.31Å; D181-R185 WeakPolarHBondContact O-CG 3.43Å; D181-R185 PolarHBondContact O-N 3.11Å; Q182-R185 PolarHBondContact O-N 3.4Å; F183-R185 VanDerWaalsContact C-N 3.31Å; F183-R185 PolarHBondContact O-N 3.1Å; R185-I187 PolarHBondContact O-N 2.84Å; R185-Q188 PolarHBondContact O-N 3.35Å
186	N	97.6	Very high	98	Very high	51 Å²	51	25.7 Å²	25.7	27%	0.273	12%	0.122	S	C	.	.	H	α-helix	trans	-61.7	-40.9	178.8	-72.3	-5.5	0	0	0	112.1	A140 L146 Q182 F183 P189	A140-N186 PolarHBondContact O-ND2 3.28Å; L146-N186 HydrophobicContact CD2-CB 3.77Å; Q182-N186 PolarHBondContact O-N 2.93Å; Q182-N186 PolarHBondContact O-OD1 3.25Å; F183-N186 WeakPolarHBondContact O-CA 3.39Å; F183-N186 VanDerWaalsContact O-CB 3.32Å; F183-N186 WeakPolarHBondContact O-CB 3.3Å; F183-N186 PolarHBondContact O-N 3.08Å; N186-P189 VanDerWaalsContact O-CD 3.31Å; N186-P189 WeakPolarHBondContact O-CD 3.27Å
187	I	98.1	Very high	98.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-85.7	-15.2	-179.4	67.8	163.5	0	0	0	114.2	L146 F183 M184 R185 P189 I190 A191 Y196	L146-I187 HydrophobicContact CD1-CG2 4.41Å; F183-I187 HydrophobicContact CE1-CD1 3.87Å; F183-I187 HydrophobicContact CE1-CG1 4.35Å; F183-I187 HydrophobicContact CE1-CG2 4.04Å; F183-I187 HydrophobicContact CE2-CG2 4.06Å; F183-I187 HydrophobicContact CZ-CD1 4.45Å; F183-I187 HydrophobicContact CZ-CG2 3.71Å; F183-I187 PolarHBondContact O-N 3.09Å; M184-I187 HydrophobicContact CE-CD1 4.16Å; M184-I187 HydrophobicContact SD-CD1 3.93Å; M184-I187 HydrophobicContact SD-CG1 4.48Å; R185-I187 PolarHBondContact O-N 2.84Å; I187-P189 VanDerWaalsContact C-N 3.28Å; I187-P189 VanDerWaalsContact O-N 3.13Å; I187-I190 WeakPolarHBondContact O-CA 3.33Å; I187-I190 WeakPolarHBondContact O-CB 3.49Å; I187-I190 PolarHBondContact O-N 3.32Å; I187-A191 HydrophobicContact CD1-CB 4.12Å; I187-A191 HydrophobicContact CG1-CB 4.26Å; I187-A191 PolarHBondContact O-N 2.76Å; I187-Y196 HydrophobicContact CB-CE2 4.44Å; I187-Y196 HydrophobicContact CD1-CD1 4.34Å; I187-Y196 HydrophobicContact CD1-CE1 3.95Å; I187-Y196 HydrophobicContact CD1-CE2 4.2Å
188	Q	98.3	Very high	98.1	Very high	55 Å²	55	24.6 Å²	24.6	26%	0.257	12%	0.116	S	C	.	.	H	α-helix	trans	-47.9	-40.8	-179.2	178.5	177.8	-60.9	0	0	113.9	V33 M184 R185 I190 A191 S192	V33-Q188 HydrophobicContact CB-CG 4.41Å; M184-Q188 PolarHBondContact O-N 2.95Å; M184-Q188 VanDerWaalsContact O-N 3.14Å; R185-Q188 PolarHBondContact O-N 3.35Å; Q188-I190 PolarHBondContact O-N 2.85Å; Q188-I190 VanDerWaalsContact O-N 3.12Å; Q188-A191 PolarHBondContact O-N 3.15Å; Q188-S192 VanDerWaalsContact O-CB 3.23Å; Q188-S192 WeakPolarHBondContact O-CB 3.38Å; Q188-S192 PolarHBondContact O-N 2.85Å; Q188-S192 PolarHBondContact O-OG 2.81Å
189	P	97.7	Very high	98.1	Very high	48 Å²	48	20.6 Å²	20.6	31%	0.312	10%	0.101	S	C	.	.	H	α-helix	trans	-59.3	-23.4	177.3	-24.7	35.7	0	0	0	114.8	I150 N186 I187	I150-P189 HydrophobicContact CD1-CB 4.34Å; I150-P189 HydrophobicContact CD1-CG 4.34Å; I150-P189 HydrophobicContact CG1-CB 4.23Å; I150-P189 HydrophobicContact CG2-CB 4.27Å; N186-P189 VanDerWaalsContact O-CD 3.31Å; N186-P189 WeakPolarHBondContact O-CD 3.27Å; I187-P189 VanDerWaalsContact C-N 3.28Å; I187-P189 VanDerWaalsContact O-N 3.13Å
190	I	98.5	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-94.1	-56.4	173.6	-64	162.4	0	0	0	109.5	L146 L149 I150 V153 V162 I187 Q188 S192 K193 I194 Y196	L146-I190 HydrophobicContact CD1-CD1 3.75Å; L149-I190 HydrophobicContact CB-CD1 3.65Å; I150-I190 HydrophobicContact CG1-CD1 3.87Å; I150-I190 HydrophobicContact CG1-CG1 3.9Å; V153-I190 HydrophobicContact CB-CG1 4.37Å; V153-I190 HydrophobicContact CB-CG2 4.47Å; V153-I190 HydrophobicContact CG1-CG2 4.26Å; V153-I190 HydrophobicContact CG2-CG1 4.46Å; V153-I190 HydrophobicContact CG2-CG2 4.09Å; V162-I190 HydrophobicContact CG2-CG2 3.8Å; I187-I190 WeakPolarHBondContact O-CA 3.33Å; I187-I190 WeakPolarHBondContact O-CB 3.49Å; I187-I190 PolarHBondContact O-N 3.32Å; Q188-I190 PolarHBondContact O-N 2.85Å; Q188-I190 VanDerWaalsContact O-N 3.12Å; I190-S192 VanDerWaalsContact C-N 3.26Å; I190-S192 PolarHBondContact O-N 2.8Å; I190-K193 PolarHBondContact O-N 3.23Å; I190-I194 HydrophobicContact CG2-CD1 4.26Å; I190-I194 HydrophobicContact CG2-CG1 4.17Å; I190-I194 PolarHBondContact O-N 2.81Å; I190-Y196 HydrophobicContact CG2-CD2 4.17Å; I190-Y196 HydrophobicContact CG2-CE2 4.21Å
191	A	98.5	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69.3	-21.2	-167	0	0	0	0	0	113.3	H34 I35 I187 Q188 K193 Y196	H34-A191 CarbonylContact C-O 3.51Å; H34-A191 VanDerWaalsContact CA-O 3.27Å; H34-A191 WeakPolarHBondContact CA-O 3.32Å; H34-A191 HydrophobicContact CB-CB 3.54Å; I35-A191 WeakPolarHBondContact CG1-O 3.45Å; I35-A191 PolarHBondContact N-O 3.02Å; I187-A191 HydrophobicContact CD1-CB 4.12Å; I187-A191 HydrophobicContact CG1-CB 4.26Å; I187-A191 PolarHBondContact O-N 2.76Å; Q188-A191 PolarHBondContact O-N 3.15Å; A191-K193 VanDerWaalsContact C-N 3.31Å; A191-Y196 HydrophobicContact CB-CD2 3.66Å; A191-Y196 HydrophobicContact CB-CE2 4.4Å; A191-Y196 HydrophobicContact CB-CG 3.91Å
192	S	98.4	Very high	98.2	Very high	8 Å²	8	20.4 Å²	20.4	6%	0.056	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.3	172.5	63.4	0	0	0	0	114	V33 Y105 Q188 I190	V33-S192 WeakPolarHBondContact O-CB 3.49Å; V33-S192 PolarHBondContact O-N 3.21Å; Y105-S192 WeakPolarHBondContact OH-CB 3.2Å; Y105-S192 PolarHBondContact OH-O 3.27Å; Q188-S192 VanDerWaalsContact O-CB 3.23Å; Q188-S192 WeakPolarHBondContact O-CB 3.38Å; Q188-S192 PolarHBondContact O-N 2.85Å; Q188-S192 PolarHBondContact O-OG 2.81Å; I190-S192 VanDerWaalsContact C-N 3.26Å; I190-S192 PolarHBondContact O-N 2.8Å
193	K	98.3	Very high	98.2	Very high	34 Å²	34	17.8 Å²	17.8	15%	0.148	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-36.5	-171	-176.5	169.3	178.4	176.5	0	113.6	F119 V153 K154 N157 I190 A191	F119-K193 WeakPolarHBondContact CA-O 3.45Å; F119-K193 WeakPolarHBondContact CB-O 3.47Å; V153-K193 HydrophobicContact CG1-CB 4.41Å; V153-K193 HydrophobicContact CG1-CD 4.26Å; V153-K193 HydrophobicContact CG1-CG 4.45Å; V153-K193 WeakPolarHBondContact O-CE 3.44Å; V153-K193 PolarHBondContact O-NZ 2.89Å; K154-K193 PolarHBondContact O-NZ 3.43Å; N157-K193 VanDerWaalsContact OD1-CE 3.22Å; N157-K193 WeakPolarHBondContact OD1-CE 3.42Å; N157-K193 PolarHBondContact OD1-NZ 2.85Å; I190-K193 PolarHBondContact O-N 3.23Å; A191-K193 VanDerWaalsContact C-N 3.31Å
194	I	98.4	Very high	98.1	Very high	16 Å²	16	18 Å²	18	8%	0.082	9%	0.087	C	C	.	.	S	Bend	trans	-130.6	150.5	176.5	60.5	176	0	0	0	110.1	I35 V153 V162 I190 Y196	I35-I194 WeakPolarHBondContact CG1-O 3.39Å; V153-I194 HydrophobicContact CB-CD1 4.32Å; V153-I194 HydrophobicContact CG1-CD1 3.72Å; V153-I194 HydrophobicContact CG1-CG1 3.89Å; V153-I194 HydrophobicContact CG1-CG2 4.23Å; V153-I194 HydrophobicContact CG2-CD1 3.59Å; V162-I194 HydrophobicContact CG2-CD1 3.9Å; V162-I194 HydrophobicContact CG2-CG1 4.46Å; I190-I194 HydrophobicContact CG2-CD1 4.26Å; I190-I194 HydrophobicContact CG2-CG1 4.17Å; I190-I194 PolarHBondContact O-N 2.81Å; I194-Y196 PolarHBondContact O-N 3.38Å
195	P	98.4	Very high	98.1	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.026	9%	0.089	C	C	.	.			trans	-53.6	133.5	176.7	-23.5	33.4	0	0	0	111.9	I35 L37 I44 L122 D160 M161 V162 M197	I35-P195 CarbonylContact O-C 3.49Å; I35-P195 WeakPolarHBondContact O-CA 3.47Å; L37-P195 HydrophobicContact CD2-CB 3.95Å; L37-P195 HydrophobicContact CD2-CG 3.61Å; L37-P195 HydrophobicContact CG-CB 3.89Å; L37-P195 HydrophobicContact CG-CG 4.14Å; I44-P195 HydrophobicContact CD1-CG 4.45Å; L122-P195 HydrophobicContact CD1-CG 4.41Å; D160-P195 WeakPolarHBondContact O-CD 3.33Å; M161-P195 WeakPolarHBondContact CA-O 3.33Å; M161-P195 HydrophobicContact CG-CB 4Å; M161-P195 VanDerWaalsContact CG-O 3.26Å; M161-P195 WeakPolarHBondContact CG-O 3.26Å; M161-P195 HydrophobicContact SD-CB 4.28Å; V162-P195 PolarHBondContact N-O 2.73Å; P195-M197 HydrophobicContact CB-SD 4.2Å
196	Y	98.6	Very high	98.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	89.1	-177.1	-158	-80	0	0	0	109.1	I35 Y135 V162 H164 F168 I187 I190 A191 I194 T198 M218	I35-Y196 PolarHBondContact O-N 3.31Å; Y135-Y196 WeakPolarHBondContact OH-CE2 3.32Å; Y135-Y196 PolarHBondContact OH-OH 3.5Å; V162-Y196 HydrophobicContact CB-CD2 3.83Å; V162-Y196 HydrophobicContact CB-CE2 4.04Å; V162-Y196 HydrophobicContact CB-CG 4.32Å; V162-Y196 HydrophobicContact CG1-CD2 3.92Å; V162-Y196 HydrophobicContact CG1-CE1 4.36Å; V162-Y196 HydrophobicContact CG1-CE2 3.67Å; V162-Y196 HydrophobicContact CG1-CG 4.38Å; V162-Y196 HydrophobicContact CG2-CD2 4.05Å; V162-Y196 HydrophobicContact CG2-CE2 4.13Å; H164-Y196 HydrophobicContact CB-CD1 4.49Å; H164-Y196 HydrophobicContact CB-CE1 3.6Å; H164-Y196 AromaticContact ND1-CE1 3.74Å; H164-Y196 AromaticContact ND1-CZ 3.64Å; H164-Y196 PolarHBondContact ND1-OH 2.93Å; F168-Y196 HydrophobicContact CE1-CE1 4.26Å; I187-Y196 HydrophobicContact CB-CE2 4.44Å; I187-Y196 HydrophobicContact CD1-CD1 4.34Å; I187-Y196 HydrophobicContact CD1-CE1 3.95Å; I187-Y196 HydrophobicContact CD1-CE2 4.2Å; I190-Y196 HydrophobicContact CG2-CD2 4.17Å; I190-Y196 HydrophobicContact CG2-CE2 4.21Å; A191-Y196 HydrophobicContact CB-CD2 3.66Å; A191-Y196 HydrophobicContact CB-CE2 4.4Å; A191-Y196 HydrophobicContact CB-CG 3.91Å; I194-Y196 PolarHBondContact O-N 3.38Å; Y196-T198 HydrophobicContact CD1-CG2 3.7Å; Y196-T198 HydrophobicContact CE1-CG2 3.93Å; Y196-M218 WeakPolarHBondContact O-CE 3.32Å
197	M	98.5	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	140.3	-175.5	-47.3	-56	-68	0	0	109.6	A36 L37 M161 V162 L163 H164 P195 M218 P219 Y228 F230	A36-M197 HydrophobicContact CB-SD 3.98Å; L37-M197 HydrophobicContact CB-CE 3.99Å; L37-M197 HydrophobicContact CB-SD 4Å; L37-M197 HydrophobicContact CD1-SD 4.42Å; L37-M197 HydrophobicContact CG-CE 4.43Å; L37-M197 HydrophobicContact CG-SD 3.96Å; L37-M197 PolarHBondContact N-SD 2.81Å; L37-M197 VanDerWaalsContact N-SD 3.42Å; M161-M197 HydrophobicContact CE-CG 4.4Å; M161-M197 HydrophobicContact CG-CG 3.87Å; M161-M197 HydrophobicContact SD-CG 3.37Å; M161-M197 WeakPolarHBondContact SD-CG 3.43Å; M161-M197 HydrophobicContact SD-SD 4.32Å; V162-M197 PolarHBondContact O-N 2.73Å; L163-M197 CarbonylContact C-O 3.53Å; L163-M197 WeakPolarHBondContact CA-O 3.42Å; L163-M197 HydrophobicContact CD2-CB 3.86Å; L163-M197 HydrophobicContact CD2-CG 4.34Å; H164-M197 PolarHBondContact N-O 2.82Å; P195-M197 HydrophobicContact CB-SD 4.2Å; M197-M218 HydrophobicContact CB-SD 4.41Å; M197-M218 HydrophobicContact CE-SD 3.84Å; M197-M218 HydrophobicContact SD-SD 4.29Å; M197-P219 HydrophobicContact CE-CG 4.06Å; M197-Y228 HydrophobicContact CE-CE2 3.75Å; M197-F230 HydrophobicContact CB-CE1 4.21Å; M197-F230 HydrophobicContact CB-CZ 4.21Å; M197-F230 HydrophobicContact CE-CD1 3.76Å; M197-F230 HydrophobicContact CE-CE1 3.76Å; M197-F230 HydrophobicContact CE-CG 4.25Å; M197-F230 HydrophobicContact CE-CZ 4.27Å; M197-F230 HydrophobicContact CG-CE1 4.15Å; M197-F230 HydrophobicContact CG-CZ 3.89Å
198	T	98.5	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.9	-169.3	63.6	0	0	0	0	112.8	H164 F168 Y196 Y212 F216 Y228	H164-T198 HydrophobicContact CB-CG2 4.22Å; H164-T198 VanDerWaalsContact O-CA 3.3Å; H164-T198 WeakPolarHBondContact O-CA 3.29Å; F168-T198 HydrophobicContact CE1-CG2 3.66Å; F168-T198 HydrophobicContact CZ-CG2 3.59Å; Y196-T198 HydrophobicContact CD1-CG2 3.7Å; Y196-T198 HydrophobicContact CE1-CG2 3.93Å; T198-Y212 PolarHBondContact O-OH 2.83Å; T198-Y212 PolarHBondContact OG1-OH 2.95Å; T198-F216 HydrophobicContact CG2-CD1 3.95Å; T198-F216 HydrophobicContact CG2-CE1 3.82Å; T198-F216 HydrophobicContact CG2-CZ 4.29Å; T198-Y228 PolarHBondContact N-OH 3.19Å; T198-Y228 WeakPolarHBondContact O-CE1 3.31Å; T198-Y228 VanDerWaalsContact O-CZ 3.25Å; T198-Y228 PolarHBondContact O-OH 3.15Å
199	C	98.2	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	161.7	156.5	72.3	0	0	0	0	108.4	H164 V165 G166 F168 A239 I284	H164-C199 PolarHBondContact O-N 2.88Å; H164-C199 VanDerWaalsContact O-N 3.07Å; V165-C199 VanDerWaalsContact CA-SG 3.59Å; G166-C199 VanDerWaalsContact CA-O 3.24Å; G166-C199 WeakPolarHBondContact CA-O 3.3Å; G166-C199 PolarHBondContact N-O 2.79Å; F168-C199 VanDerWaalsContact CE2-O 3.25Å; F168-C199 WeakPolarHBondContact CE2-O 3.24Å; C199-A239 HydrophobicContact CB-CB 4.17Å; C199-I284 HydrophobicContact CB-CD1 4.42Å; C199-I284 HydrophobicContact CB-CG1 4.32Å
200	V	97.7	Very high	97.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.			trans	-85.2	138.4	-175.1	70.5	0	0	0	0	111.4	E204 F209 Y212 S241 E243 H286	V200-E204 HydrophobicContact CG2-CB 3.47Å; V200-E204 VanDerWaalsContact CG2-CB 3.47Å; V200-E204 HydrophobicContact CG2-CG 4.01Å; V200-F209 HydrophobicContact CG2-CD1 3.41Å; V200-F209 VanDerWaalsContact CG2-CD1 3.41Å; V200-F209 HydrophobicContact CG2-CE1 3.86Å; V200-F209 HydrophobicContact CG2-CG 4.35Å; V200-Y212 HydrophobicContact CB-CD1 4.12Å; V200-Y212 HydrophobicContact CB-CD2 4.35Å; V200-Y212 HydrophobicContact CB-CE1 3.95Å; V200-Y212 HydrophobicContact CB-CE2 4.21Å; V200-Y212 HydrophobicContact CB-CG 4.34Å; V200-Y212 HydrophobicContact CG2-CD1 4.02Å; V200-Y212 HydrophobicContact CG2-CD2 4.18Å; V200-Y212 HydrophobicContact CG2-CE1 4.36Å; V200-Y212 HydrophobicContact CG2-CG 3.94Å; V200-S241 WeakPolarHBondContact CG1-OG 3.34Å; V200-E243 HydrophobicContact CG1-CG 4.29Å; V200-H286 VanDerWaalsContact O-CB 3.29Å; V200-H286 WeakPolarHBondContact O-CB 3.36Å
201	G	98.1	Very high	97.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.086	C	C	.	.			trans	-110.2	-176.7	170.5	0	0	0	0	0	112.9	D167 E204 E243 H286	D167-G201 VanDerWaalsContact OD1-C 3.26Å; D167-G201 WeakPolarHBondContact OD1-CA 3.04Å; G201-E204 VanDerWaalsContact CA-OE2 3.3Å; G201-E204 WeakPolarHBondContact CA-OE2 3.46Å; G201-E204 PolarHBondContact N-OE2 2.94Å; G201-E204 PolarHBondContact O-N 3.47Å; G201-E243 VanDerWaalsContact C-CG 3.49Å; G201-E243 WeakPolarHBondContact O-CG 3.47Å; G201-H286 WeakPolarHBondContact CA-CD2 3.42Å
202	N	97.2	Very high	97.8	Very high	29 Å²	29	16.6 Å²	16.6	16%	0.155	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-71.7	-29.1	-174.9	43.2	-93.2	0	0	0	114.3	D167 E204 A205 E243 F247 H286 R287 H342	D167-N202 PolarHBondContact OD1-N 3.09Å; N202-E204 PolarHBondContact O-N 2.59Å; N202-A205 VanDerWaalsContact O-CB 3.3Å; N202-A205 WeakPolarHBondContact O-CB 3.4Å; N202-A205 PolarHBondContact O-N 3.31Å; N202-A205 VanDerWaalsContact O-N 3.15Å; N202-E243 WeakPolarHBondContact CB-OE2 3.31Å; N202-F247 HydrophobicContact CB-CE2 4.18Å; N202-F247 HydrophobicContact CB-CZ 4.29Å; N202-H286 PolarHBondContact OD1-CD2 2.92Å; N202-H286 PolarHBondContact OD1-NE2 2.84Å; N202-H286 VanDerWaalsContact OD1-NE2 3.11Å; N202-R287 VanDerWaalsContact CG-NH2 3.26Å; N202-R287 PolarHBondContact OD1-NH2 2.8Å; N202-R287 VanDerWaalsContact OD1-NH2 3.14Å; N202-H342 PolarHBondContact OD1-CE1 2.95Å; N202-H342 PolarHBondContact OD1-ND1 3.18Å
203	H	97.8	Very high	97.8	Very high	21 Å²	21	17.7 Å²	17.7	10%	0.097	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-68.6	-8.7	176.2	-79.3	-93.1	0	0	0	113	D167 Y170 N171 E385	D167-H203 HydrophobicContact CB-CB 4.4Å; D167-H203 VanDerWaalsContact CG-CD2 3.45Å; D167-H203 WeakPolarHBondContact OD1-CB 3.49Å; D167-H203 IonicContact OD1-CD2 2.66Å; D167-H203 IonicContact OD1-CG 3.43Å; D167-H203 PolarHBondContact OD1-N 3.2Å; D167-H203 IonicContact OD2-CD2 3.07Å; D167-H203 PolarHBondContact OD2-CD2 2.83Å; Y170-H203 AromaticContact CD1-CE1 3.73Å; Y170-H203 AromaticContact CD1-NE2 3.96Å; N171-H203 WeakPolarHBondContact CA-O 3.44Å; N171-H203 PolarHBondContact ND2-ND1 2.78Å; N171-H203 PolarHBondContact OD1-ND1 3.43Å; N171-H203 VanDerWaalsContact OD1-ND1 3.09Å; N171-H203 PolarHBondContact OD1-O 3.41Å; H203-E385 IonicContact CE1-OE1 2.95Å; H203-E385 PolarHBondContact CE1-OE1 3.03Å; H203-E385 VanDerWaalsContact CE1-OE1 3.23Å; H203-E385 IonicContact NE2-OE1 2.65Å
204	E	97.9	Very high	97.7	Very high	5 Å²	5	16.6 Å²	16.6	2%	0.023	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-88.6	-8.7	174.2	-75.6	68.1	-114.6	0	0	113.2	D167 F168 V200 G201 N202 A206 F209 Y212	D167-E204 PolarHBondContact N-OE2 2.92Å; F168-E204 VanDerWaalsContact CD2-CD 3.46Å; F168-E204 HydrophobicContact CD2-CG 3.99Å; F168-E204 WeakPolarHBondContact CD2-OE2 3.37Å; F168-E204 PolarHBondContact N-OE1 3.35Å; V200-E204 HydrophobicContact CG2-CB 3.47Å; V200-E204 VanDerWaalsContact CG2-CB 3.47Å; V200-E204 HydrophobicContact CG2-CG 4.01Å; G201-E204 VanDerWaalsContact CA-OE2 3.3Å; G201-E204 WeakPolarHBondContact CA-OE2 3.46Å; G201-E204 PolarHBondContact N-OE2 2.94Å; G201-E204 PolarHBondContact O-N 3.47Å; N202-E204 PolarHBondContact O-N 2.59Å; E204-A206 PolarHBondContact O-N 3.41Å; E204-F209 HydrophobicContact CB-CD1 4.01Å; E204-F209 VanDerWaalsContact O-CA 3.26Å; E204-F209 WeakPolarHBondContact O-CA 3.49Å; E204-Y212 HydrophobicContact CG-CD2 3.93Å; E204-Y212 HydrophobicContact CG-CG 4.21Å
205	A	97.5	Very high	97.7	Very high	6 Å²	6	15.9 Å²	15.9	5%	0.05	8%	0.084	C	C	.	.			trans	-66.6	-14.2	-164.2	0	0	0	0	0	116.5	N202 Y207 N208 F209 F247 Y250	N202-A205 VanDerWaalsContact O-CB 3.3Å; N202-A205 WeakPolarHBondContact O-CB 3.4Å; N202-A205 PolarHBondContact O-N 3.31Å; N202-A205 VanDerWaalsContact O-N 3.15Å; A205-Y207 PolarHBondContact O-N 3.3Å; A205-N208 PolarHBondContact O-N 3.04Å; A205-F209 VanDerWaalsContact CA-CD1 3.47Å; A205-F209 VanDerWaalsContact CA-CE1 3.42Å; A205-F209 HydrophobicContact CB-CD1 4.24Å; A205-F209 HydrophobicContact CB-CE1 3.66Å; A205-F209 HydrophobicContact CB-CZ 3.84Å; A205-F209 PolarHBondContact O-N 2.74Å; A205-F247 HydrophobicContact CB-CD1 3.59Å; A205-F247 HydrophobicContact CB-CD2 4.3Å; A205-F247 HydrophobicContact CB-CE1 3.13Å; A205-F247 HydrophobicContact CB-CE2 3.88Å; A205-F247 HydrophobicContact CB-CG 4.19Å; A205-F247 HydrophobicContact CB-CZ 3.28Å; A205-Y250 WeakPolarHBondContact O-CE2 3.2Å; A205-Y250 PolarHBondContact O-OH 3.47Å
206	A	97.3	Very high	97.7	Very high	26 Å²	26	15.8 Å²	15.8	22%	0.215	8%	0.083	C	C	.	.	H	α-helix	trans	-52.7	136.1	179.9	0	0	0	0	0	112.1	D173 E204 N208 F209 S210	D173-A206 HydrophobicContact CB-CB 3.89Å; D173-A206 WeakPolarHBondContact OD1-CB 3.22Å; D173-A206 WeakPolarHBondContact OD2-CB 3.31Å; E204-A206 PolarHBondContact O-N 3.41Å; A206-N208 VanDerWaalsContact C-N 3.31Å; A206-N208 PolarHBondContact O-N 2.6Å; A206-F209 PolarHBondContact O-N 3.16Å; A206-S210 PolarHBondContact O-N 2.71Å
207	Y	96.7	Very high	97.6	Very high	103 Å²	103	17 Å²	17	40%	0.404	9%	0.09	S	C	.	.	H	α-helix	trans	52.1	42.7	176.5	-43	-57.8	0	0	0	114.2	G80 G81 D173 A205 S210	G80-Y207 VanDerWaalsContact CA-CE2 3.45Å; G81-Y207 PolarHBondContact N-OH 3.2Å; D173-Y207 HydrophobicContact CB-CD2 4.24Å; D173-Y207 HydrophobicContact CB-CE2 3.77Å; A205-Y207 PolarHBondContact O-N 3.3Å; Y207-S210 VanDerWaalsContact O-CB 3.31Å; Y207-S210 WeakPolarHBondContact O-CB 3.37Å
208	N	96.5	Very high	97.5	Very high	66 Å²	66	17.6 Å²	17.6	35%	0.353	9%	0.093	S	C	.	.	H	α-helix	trans	59.4	48	-175.3	-168.5	27	0	0	0	113	A205 A206 S210 Y250	A205-N208 PolarHBondContact O-N 3.04Å; A206-N208 VanDerWaalsContact C-N 3.31Å; A206-N208 PolarHBondContact O-N 2.6Å; N208-S210 PolarHBondContact O-N 3.08Å; N208-Y250 VanDerWaalsContact CA-CZ 3.43Å; N208-Y250 HydrophobicContact CB-CD1 3.71Å; N208-Y250 HydrophobicContact CB-CD2 4.48Å; N208-Y250 HydrophobicContact CB-CE1 3.64Å; N208-Y250 HydrophobicContact CB-CE2 4.42Å; N208-Y250 HydrophobicContact CB-CG 4.15Å; N208-Y250 PolarHBondContact N-OH 2.9Å
209	F	97.3	Very high	97.3	Very high	1 Å²	1	18 Å²	18	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	61	25.5	177.9	-50	-92.8	0	0	0	114.3	V200 E204 A205 A206 N211 Y212 K213 E243 F247 Y250	V200-F209 HydrophobicContact CG2-CD1 3.41Å; V200-F209 VanDerWaalsContact CG2-CD1 3.41Å; V200-F209 HydrophobicContact CG2-CE1 3.86Å; V200-F209 HydrophobicContact CG2-CG 4.35Å; E204-F209 HydrophobicContact CB-CD1 4.01Å; E204-F209 VanDerWaalsContact O-CA 3.26Å; E204-F209 WeakPolarHBondContact O-CA 3.49Å; A205-F209 VanDerWaalsContact CA-CD1 3.47Å; A205-F209 VanDerWaalsContact CA-CE1 3.42Å; A205-F209 HydrophobicContact CB-CD1 4.24Å; A205-F209 HydrophobicContact CB-CE1 3.66Å; A205-F209 HydrophobicContact CB-CZ 3.84Å; A205-F209 PolarHBondContact O-N 2.74Å; A206-F209 PolarHBondContact O-N 3.16Å; F209-N211 PolarHBondContact O-N 2.92Å; F209-Y212 PolarHBondContact O-N 2.87Å; F209-K213 HydrophobicContact CB-CD 4.43Å; F209-K213 HydrophobicContact CB-CG 4.37Å; F209-K213 VanDerWaalsContact O-CG 3.31Å; F209-K213 WeakPolarHBondContact O-CG 3.26Å; F209-K213 PolarHBondContact O-N 3.12Å; F209-E243 HydrophobicContact CE1-CB 3.81Å; F209-E243 HydrophobicContact CE1-CG 4.15Å; F209-E243 HydrophobicContact CZ-CB 3.7Å; F209-F247 HydrophobicContact CE2-CB 4.25Å; F209-F247 HydrophobicContact CE2-CG 4.49Å; F209-F247 HydrophobicContact CZ-CB 4.08Å; F209-F247 AromaticContact CZ-CD2 3.94Å; F209-F247 HydrophobicContact CZ-CD2 3.94Å; F209-F247 AromaticContact CZ-CG 3.92Å; F209-F247 HydrophobicContact CZ-CG 3.92Å; F209-Y250 HydrophobicContact CD2-CD2 4.39Å; F209-Y250 HydrophobicContact CD2-CE2 4.36Å; F209-Y250 AromaticContact CE2-CD2 3.84Å; F209-Y250 HydrophobicContact CE2-CD2 3.84Å; F209-Y250 AromaticContact CE2-CE2 3.94Å; F209-Y250 HydrophobicContact CE2-CE2 3.94Å
210	S	97.4	Very high	96.9	Very high	26 Å²	26	19.4 Å²	19.4	18%	0.182	11%	0.11	C	C	.	.	H	α-helix	trans	-64.2	-38.1	-166.2	71.2	0	0	0	0	113	F77 A206 Y207 N208 A214	F77-S210 WeakPolarHBondContact CE2-O 3.17Å; A206-S210 PolarHBondContact O-N 2.71Å; Y207-S210 VanDerWaalsContact O-CB 3.31Å; Y207-S210 WeakPolarHBondContact O-CB 3.37Å; N208-S210 PolarHBondContact O-N 3.08Å; S210-A214 WeakPolarHBondContact O-CB 3.49Å; S210-A214 PolarHBondContact O-N 2.79Å
211	N	97.9	Very high	96.4	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-63.3	-47.7	175.9	-93.1	-79.3	0	0	0	111.3	F77 D79 M172 A177 F209 A214 R215	F77-N211 HydrophobicContact CZ-CB 4.38Å; D79-N211 PolarHBondContact OD1-ND2 2.92Å; M172-N211 HydrophobicContact CB-CB 3.8Å; M172-N211 HydrophobicContact SD-CB 4.26Å; A177-N211 WeakPolarHBondContact CB-OD1 3.28Å; F209-N211 PolarHBondContact O-N 2.92Å; N211-A214 PolarHBondContact O-N 2.8Å; N211-R215 VanDerWaalsContact O-CB 3.27Å; N211-R215 WeakPolarHBondContact O-CB 3.43Å; N211-R215 WeakPolarHBondContact O-CG 3.32Å; N211-R215 PolarHBondContact O-N 2.78Å; N211-R215 PolarHBondContact OD1-NE 3.17Å; N211-R215 VanDerWaalsContact OD1-NE 3.09Å
212	Y	97.9	Very high	96.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-53.8	177.4	177.6	-92.1	0	0	0	111.4	F168 T198 V200 E204 F209 A214 R215 F216 S225	F168-Y212 HydrophobicContact CD2-CD2 4.28Å; F168-Y212 HydrophobicContact CD2-CE2 4.44Å; F168-Y212 HydrophobicContact CE2-CD2 4.06Å; F168-Y212 AromaticContact CE2-CE2 3.79Å; F168-Y212 HydrophobicContact CE2-CE2 3.79Å; F168-Y212 HydrophobicContact CZ-CE2 4.34Å; T198-Y212 PolarHBondContact O-OH 2.83Å; T198-Y212 PolarHBondContact OG1-OH 2.95Å; V200-Y212 HydrophobicContact CB-CD1 4.12Å; V200-Y212 HydrophobicContact CB-CD2 4.35Å; V200-Y212 HydrophobicContact CB-CE1 3.95Å; V200-Y212 HydrophobicContact CB-CE2 4.21Å; V200-Y212 HydrophobicContact CB-CG 4.34Å; V200-Y212 HydrophobicContact CG2-CD1 4.02Å; V200-Y212 HydrophobicContact CG2-CD2 4.18Å; V200-Y212 HydrophobicContact CG2-CE1 4.36Å; V200-Y212 HydrophobicContact CG2-CG 3.94Å; E204-Y212 HydrophobicContact CG-CD2 3.93Å; E204-Y212 HydrophobicContact CG-CG 4.21Å; F209-Y212 PolarHBondContact O-N 2.87Å; Y212-A214 PolarHBondContact O-N 2.87Å; Y212-R215 PolarHBondContact O-N 3.45Å; Y212-F216 AromaticContact CD2-CD2 3.36Å; Y212-F216 HydrophobicContact CD2-CD2 3.36Å; Y212-F216 AromaticContact CD2-CE2 3.56Å; Y212-F216 HydrophobicContact CD2-CE2 3.56Å; Y212-F216 HydrophobicContact CD2-CG 4.47Å; Y212-F216 AromaticContact CE2-CD2 3.52Å; Y212-F216 HydrophobicContact CE2-CD2 3.52Å; Y212-F216 AromaticContact CE2-CE2 3.86Å; Y212-F216 HydrophobicContact CE2-CE2 3.86Å; Y212-F216 HydrophobicContact CE2-CG 4.29Å; Y212-F216 AromaticContact CG-CD2 3.98Å; Y212-F216 HydrophobicContact CG-CD2 3.98Å; Y212-F216 HydrophobicContact CG-CE2 4.45Å; Y212-F216 WeakPolarHBondContact O-CD2 3.5Å; Y212-F216 PolarHBondContact O-N 2.8Å; Y212-S225 WeakPolarHBondContact CE1-O 3.36Å; Y212-S225 PolarHBondContact OH-O 3.05Å; Y212-S225 VanDerWaalsContact OH-O 3.12Å
213	K	97.4	Very high	95.8	Very high	31 Å²	31	24.5 Å²	24.5	14%	0.135	16%	0.162	C	C	.	.	H	α-helix	trans	-58.5	-35.6	178.8	-67	178.1	175.1	-167.9	0	112.7	F209 E224 Q226	F209-K213 HydrophobicContact CB-CD 4.43Å; F209-K213 HydrophobicContact CB-CG 4.37Å; F209-K213 VanDerWaalsContact O-CG 3.31Å; F209-K213 WeakPolarHBondContact O-CG 3.26Å; F209-K213 PolarHBondContact O-N 3.12Å; K213-E224 HydrophobicContact CD-CB 4.12Å; K213-E224 WeakPolarHBondContact CD-OE2 3.32Å; K213-E224 VanDerWaalsContact CE-OE2 3.28Å; K213-E224 WeakPolarHBondContact CE-OE2 3.31Å; K213-E224 HydrophobicContact CG-CB 4.1Å; K213-E224 IonicContact NZ-OE2 3.96Å; K213-E224 PolarHBondContact NZ-OE2 3.26Å; K213-Q226 HydrophobicContact CG-CG 4.45Å
214	A	97.3	Very high	95.5	Very high	10 Å²	10	27.8 Å²	27.8	8%	0.083	18%	0.177	C	C	.	.	H	α-helix	trans	-78.8	-34	-179.5	0	0	0	0	0	112.8	F77 V89 R91 S210 N211 Y212	F77-A214 HydrophobicContact CB-CB 4.16Å; F77-A214 HydrophobicContact CD1-CB 4.48Å; F77-A214 HydrophobicContact CD2-CB 3.23Å; F77-A214 HydrophobicContact CE2-CB 3.62Å; F77-A214 HydrophobicContact CG-CB 3.7Å; F77-A214 HydrophobicContact CZ-CB 4.36Å; V89-A214 WeakPolarHBondContact CG1-O 3.12Å; R91-A214 PolarHBondContact NH1-O 2.92Å; R91-A214 PolarHBondContact NH2-O 2.99Å; S210-A214 WeakPolarHBondContact O-CB 3.49Å; S210-A214 PolarHBondContact O-N 2.79Å; N211-A214 PolarHBondContact O-N 2.8Å; Y212-A214 PolarHBondContact O-N 2.87Å
215	R	97.6	Very high	95.3	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-88.3	-38	-172.7	-70.7	170.6	-178.9	-78.4	3.1	113.1	H34 M87 M172 A177 D181 N211 Y212	H34-R215 PolarHBondContact CE1-O 2.84Å; H34-R215 PolarHBondContact NE2-O 3.22Å; M87-R215 HydrophobicContact CE-CG 3.95Å; M87-R215 PolarHBondContact SD-NH2 3.09Å; M172-R215 VanDerWaalsContact SD-CD 3.55Å; A177-R215 PolarHBondContact O-NH2 3.07Å; D181-R215 IonicContact OD1-CZ 3.85Å; D181-R215 VanDerWaalsContact OD1-CZ 3.3Å; D181-R215 IonicContact OD1-NH1 3.66Å; D181-R215 PolarHBondContact OD1-NH1 3.38Å; D181-R215 IonicContact OD1-NH2 3.91Å; D181-R215 PolarHBondContact OD1-NH2 3.48Å; D181-R215 IonicContact OD2-NH2 3.61Å; N211-R215 VanDerWaalsContact O-CB 3.27Å; N211-R215 WeakPolarHBondContact O-CB 3.43Å; N211-R215 WeakPolarHBondContact O-CG 3.32Å; N211-R215 PolarHBondContact O-N 2.78Å; N211-R215 PolarHBondContact OD1-NE 3.17Å; N211-R215 VanDerWaalsContact OD1-NE 3.09Å; Y212-R215 PolarHBondContact O-N 3.45Å
216	F	97.7	Very high	95.3	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.009	18%	0.176	C	C	.	.			trans	-94.8	160.2	-176.8	-62.2	-72.8	0	0	0	113.1	R91 F168 M172 M184 T198 Y212 M218	R91-F216 PolarHBondContact NH2-O 2.96Å; F168-F216 HydrophobicContact CD1-CE2 4.33Å; F168-F216 AromaticContact CD1-CZ 3.77Å; F168-F216 HydrophobicContact CD1-CZ 3.77Å; F168-F216 HydrophobicContact CD2-CE2 4.36Å; F168-F216 HydrophobicContact CE1-CE1 4.47Å; F168-F216 HydrophobicContact CE1-CE2 4.42Å; F168-F216 AromaticContact CE1-CZ 3.85Å; F168-F216 HydrophobicContact CE1-CZ 3.85Å; F168-F216 HydrophobicContact CE2-CE2 4.5Å; F168-F216 HydrophobicContact CG-CE2 4.33Å; F168-F216 HydrophobicContact CG-CZ 4.19Å; F168-F216 HydrophobicContact CZ-CZ 4.39Å; M172-F216 HydrophobicContact CE-CE2 3.48Å; M172-F216 VanDerWaalsContact CE-CE2 3.48Å; M172-F216 HydrophobicContact CE-CZ 3.68Å; M172-F216 HydrophobicContact SD-CE2 4.44Å; M184-F216 HydrophobicContact CE-CE1 4.08Å; M184-F216 HydrophobicContact SD-CE1 4.06Å; M184-F216 HydrophobicContact SD-CZ 3.94Å; T198-F216 HydrophobicContact CG2-CD1 3.95Å; T198-F216 HydrophobicContact CG2-CE1 3.82Å; T198-F216 HydrophobicContact CG2-CZ 4.29Å; Y212-F216 AromaticContact CD2-CD2 3.36Å; Y212-F216 HydrophobicContact CD2-CD2 3.36Å; Y212-F216 AromaticContact CD2-CE2 3.56Å; Y212-F216 HydrophobicContact CD2-CE2 3.56Å; Y212-F216 HydrophobicContact CD2-CG 4.47Å; Y212-F216 AromaticContact CE2-CD2 3.52Å; Y212-F216 HydrophobicContact CE2-CD2 3.52Å; Y212-F216 AromaticContact CE2-CE2 3.86Å; Y212-F216 HydrophobicContact CE2-CE2 3.86Å; Y212-F216 HydrophobicContact CE2-CG 4.29Å; Y212-F216 AromaticContact CG-CD2 3.98Å; Y212-F216 HydrophobicContact CG-CD2 3.98Å; Y212-F216 HydrophobicContact CG-CE2 4.45Å; Y212-F216 WeakPolarHBondContact O-CD2 3.5Å; Y212-F216 PolarHBondContact O-N 2.8Å; F216-M218 HydrophobicContact CB-CE 4.19Å; F216-M218 HydrophobicContact CD1-CE 4.49Å
217	T	96.6	Very high	95.3	Very high	25 Å²	25	26.6 Å²	26.6	15%	0.153	17%	0.166	C	C	.	.			trans	-139.3	83.5	179.4	-54.3	0	0	0	0	109.5	A36 S45 T47 R91	A36-T217 VanDerWaalsContact CB-O 3.29Å; A36-T217 WeakPolarHBondContact CB-O 3.48Å; S45-T217 PolarHBondContact OG-O 3.2Å; T47-T217 WeakPolarHBondContact OG1-CB 3.19Å; T47-T217 PolarHBondContact OG1-OG1 3.32Å; R91-T217 WeakPolarHBondContact CD-OG1 3.48Å; R91-T217 PolarHBondContact NE-OG1 2.99Å
218	M	97.2	Very high	95.4	Very high	13 Å²	13	21.7 Å²	21.7	6%	0.064	15%	0.147	C	C	.	.			trans	-91.5	152.1	177.4	-59.8	-60.7	117	0	0	111.3	A36 Y196 M197 F216 S225 Y228	A36-M218 HydrophobicContact CB-CE 3.65Å; A36-M218 HydrophobicContact CB-SD 4.4Å; Y196-M218 WeakPolarHBondContact O-CE 3.32Å; M197-M218 HydrophobicContact CB-SD 4.41Å; M197-M218 HydrophobicContact CE-SD 3.84Å; M197-M218 HydrophobicContact SD-SD 4.29Å; F216-M218 HydrophobicContact CB-CE 4.19Å; F216-M218 HydrophobicContact CD1-CE 4.49Å; M218-S225 PolarHBondContact N-OG 3.15Å; M218-Y228 HydrophobicContact CB-CD1 3.49Å; M218-Y228 VanDerWaalsContact CB-CD1 3.49Å; M218-Y228 HydrophobicContact CB-CD2 4.04Å; M218-Y228 HydrophobicContact CB-CE1 3.41Å; M218-Y228 VanDerWaalsContact CB-CE1 3.41Å; M218-Y228 HydrophobicContact CB-CE2 3.95Å; M218-Y228 HydrophobicContact CB-CG 3.83Å; M218-Y228 HydrophobicContact CG-CD1 3.98Å; M218-Y228 HydrophobicContact CG-CE1 3.36Å; M218-Y228 HydrophobicContact CG-CE2 4.24Å; M218-Y228 HydrophobicContact SD-CE1 4.08Å; M218-Y228 HydrophobicContact SD-CE2 4.14Å; M218-Y228 VanDerWaalsContact SD-CZ 3.58Å; M218-Y228 PolarHBondContact SD-OH 2.87Å
219	P	94.7	Very high	95.5	Very high	8 Å²	8	19.8 Å²	19.8	5%	0.052	14%	0.139	C	C	.	.			trans	-76.7	140	-174.4	29.7	-34.6	0	0	0	112.2	L37 E39 M197 Y228 F230	L37-P219 WeakPolarHBondContact O-CD 3.4Å; E39-P219 HydrophobicContact CG-CB 4.36Å; M197-P219 HydrophobicContact CE-CG 4.06Å; P219-Y228 HydrophobicContact CG-CD2 3.93Å; P219-Y228 HydrophobicContact CG-CE2 4.36Å; P219-Y228 WeakPolarHBondContact O-CB 3.29Å; P219-F230 HydrophobicContact CG-CB 4.19Å
220	G	89.6	Confident	95.4	Very high	30 Å²	30	20.4 Å²	20.4	31%	0.309	14%	0.142	S	C	.	.	S	Bend	trans	61.5	-147.6	169.1	0	0	0	0	0	115.6	D222 G223	G220-D222 PolarHBondContact O-N 3.14Å; G220-G223 PolarHBondContact O-N 2.62Å
221	G	86.7	Confident	95.4	Very high	35 Å²	35	22.2 Å²	22.2	36%	0.361	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	-123.8	175.4	0	0	0	0	0	114.2	G223 F227	G221-G223 VanDerWaalsContact C-N 3.33Å; G221-F227 VanDerWaalsContact CA-O 3.22Å; G221-F227 WeakPolarHBondContact CA-O 3.33Å
222	D	91.1	Very high	95.3	Very high	34 Å²	34	22.4 Å²	22.4	18%	0.182	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.4	176.6	68.8	-12.7	0	0	0	114.4	G220 E224 S225 Q226 F227	G220-D222 PolarHBondContact O-N 3.14Å; D222-E224 PolarHBondContact O-N 2.85Å; D222-E224 WeakPolarHBondContact OD1-CA 3.16Å; D222-E224 PolarHBondContact OD1-N 2.97Å; D222-S225 PolarHBondContact OD1-N 2.97Å; D222-Q226 PolarHBondContact OD1-N 2.81Å; D222-Q226 VanDerWaalsContact OD1-N 3.17Å; D222-Q226 WeakPolarHBondContact OD2-CB 3.5Å; D222-Q226 WeakPolarHBondContact OD2-CG 3.31Å; D222-Q226 PolarHBondContact OD2-N 2.87Å; D222-Q226 VanDerWaalsContact OD2-N 3.08Å; D222-F227 HydrophobicContact CB-CD1 4.12Å; D222-F227 HydrophobicContact CB-CD2 4.18Å; D222-F227 HydrophobicContact CB-CE1 3.66Å; D222-F227 HydrophobicContact CB-CE2 3.73Å; D222-F227 HydrophobicContact CB-CG 4.38Å; D222-F227 HydrophobicContact CB-CZ 3.47Å; D222-F227 VanDerWaalsContact CB-CZ 3.47Å; D222-F227 PolarHBondContact N-O 2.86Å
223	G	91	Very high	95.2	Very high	67 Å²	67	22.5 Å²	22.5	69%	0.691	15%	0.152	S	C	*	.	S	Bend	trans	71.6	3.3	-172.2	0	0	0	0	0	114.6	G220 G221	G220-G223 PolarHBondContact O-N 2.62Å; G221-G223 VanDerWaalsContact C-N 3.33Å
224	E	92.9	Very high	95.2	Very high	90 Å²	90	21.1 Å²	21.1	42%	0.421	15%	0.146	S	C	.	.	S	Bend	trans	-118.2	6.3	175.7	-58.2	-161.7	135.7	0	0	112.5	K213 D222 Q226	K213-E224 HydrophobicContact CD-CB 4.12Å; K213-E224 WeakPolarHBondContact CD-OE2 3.32Å; K213-E224 VanDerWaalsContact CE-OE2 3.28Å; K213-E224 WeakPolarHBondContact CE-OE2 3.31Å; K213-E224 HydrophobicContact CG-CB 4.1Å; K213-E224 IonicContact NZ-OE2 3.96Å; K213-E224 PolarHBondContact NZ-OE2 3.26Å; D222-E224 PolarHBondContact O-N 2.85Å; D222-E224 WeakPolarHBondContact OD1-CA 3.16Å; D222-E224 PolarHBondContact OD1-N 2.97Å; E224-Q226 VanDerWaalsContact C-N 3.31Å; E224-Q226 PolarHBondContact O-N 3.05Å
225	S	93.9	Very high	95.3	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.042	14%	0.142	C	C	.	.	S	Bend	trans	73.2	4	179.3	-48.9	0	0	0	0	115.8	Y212 M218 D222	Y212-S225 WeakPolarHBondContact CE1-O 3.36Å; Y212-S225 PolarHBondContact OH-O 3.05Å; Y212-S225 VanDerWaalsContact OH-O 3.12Å; M218-S225 PolarHBondContact N-OG 3.15Å; D222-S225 PolarHBondContact OD1-N 2.97Å
226	Q	96.7	Very high	95.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	15%	0.145	C	C	.	.	S	Bend	trans	-74.7	-29.5	-176.4	-52.9	-165.8	-104.1	0	0	112.8	K213 D222 E224 S241	K213-Q226 HydrophobicContact CG-CG 4.45Å; D222-Q226 PolarHBondContact OD1-N 2.81Å; D222-Q226 VanDerWaalsContact OD1-N 3.17Å; D222-Q226 WeakPolarHBondContact OD2-CB 3.5Å; D222-Q226 WeakPolarHBondContact OD2-CG 3.31Å; D222-Q226 PolarHBondContact OD2-N 2.87Å; D222-Q226 VanDerWaalsContact OD2-N 3.08Å; E224-Q226 VanDerWaalsContact C-N 3.31Å; E224-Q226 PolarHBondContact O-N 3.05Å; Q226-S241 WeakPolarHBondContact O-CB 3.24Å; Q226-S241 PolarHBondContact O-N 3.24Å
227	F	98	Very high	95.3	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.018	14%	0.144	C	C	.	.	S	Bend	trans	-149.2	140.9	171.2	54.6	-96.5	0	0	0	110.1	G221 D222 A239 L244 T254 M257 Q258 W261	G221-F227 VanDerWaalsContact CA-O 3.22Å; G221-F227 WeakPolarHBondContact CA-O 3.33Å; D222-F227 HydrophobicContact CB-CD1 4.12Å; D222-F227 HydrophobicContact CB-CD2 4.18Å; D222-F227 HydrophobicContact CB-CE1 3.66Å; D222-F227 HydrophobicContact CB-CE2 3.73Å; D222-F227 HydrophobicContact CB-CG 4.38Å; D222-F227 HydrophobicContact CB-CZ 3.47Å; D222-F227 VanDerWaalsContact CB-CZ 3.47Å; D222-F227 PolarHBondContact N-O 2.86Å; F227-A239 CarbonylContact C-O 3.51Å; F227-A239 WeakPolarHBondContact CA-O 3.26Å; F227-A239 WeakPolarHBondContact CB-O 3.29Å; F227-L244 HydrophobicContact CD1-CD1 4.18Å; F227-L244 HydrophobicContact CE1-CD1 4.29Å; F227-T254 HydrophobicContact CE1-CG2 4.02Å; F227-M257 HydrophobicContact CZ-CB 4.2Å; F227-Q258 HydrophobicContact CB-CG 4.12Å; F227-Q258 HydrophobicContact CD1-CB 3.67Å; F227-Q258 HydrophobicContact CD1-CG 3.83Å; F227-Q258 HydrophobicContact CE1-CB 3.64Å; F227-Q258 HydrophobicContact CE1-CG 4.32Å; F227-Q258 HydrophobicContact CG-CB 4.14Å; F227-Q258 HydrophobicContact CG-CG 3.92Å; F227-Q258 HydrophobicContact CZ-CB 4.08Å; F227-W261 HydrophobicContact CB-CE3 4.3Å; F227-W261 HydrophobicContact CB-CZ3 4.16Å; F227-W261 HydrophobicContact CD2-CB 4.4Å; F227-W261 AromaticContact CD2-CD2 3.62Å; F227-W261 HydrophobicContact CD2-CD2 3.62Å; F227-W261 AromaticContact CD2-CE3 3.45Å; F227-W261 HydrophobicContact CD2-CE3 3.45Å; F227-W261 VanDerWaalsContact CD2-CE3 3.45Å; F227-W261 HydrophobicContact CD2-CG 4.02Å; F227-W261 HydrophobicContact CD2-CZ3 4.06Å; F227-W261 HydrophobicContact CE2-CB 3.91Å; F227-W261 AromaticContact CE2-CD2 3.96Å; F227-W261 HydrophobicContact CE2-CD2 3.96Å; F227-W261 HydrophobicContact CE2-CE3 4.13Å; F227-W261 AromaticContact CE2-CG 3.84Å; F227-W261 HydrophobicContact CE2-CG 3.84Å; F227-W261 HydrophobicContact CG-CE3 4.23Å
228	Y	98.1	Very high	95.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	172.8	-176.3	63.3	-81.8	0	0	0	111.9	M197 T198 M218 P219 F230 A239 W261	M197-Y228 HydrophobicContact CE-CE2 3.75Å; T198-Y228 PolarHBondContact N-OH 3.19Å; T198-Y228 WeakPolarHBondContact O-CE1 3.31Å; T198-Y228 VanDerWaalsContact O-CZ 3.25Å; T198-Y228 PolarHBondContact O-OH 3.15Å; M218-Y228 HydrophobicContact CB-CD1 3.49Å; M218-Y228 VanDerWaalsContact CB-CD1 3.49Å; M218-Y228 HydrophobicContact CB-CD2 4.04Å; M218-Y228 HydrophobicContact CB-CE1 3.41Å; M218-Y228 VanDerWaalsContact CB-CE1 3.41Å; M218-Y228 HydrophobicContact CB-CE2 3.95Å; M218-Y228 HydrophobicContact CB-CG 3.83Å; M218-Y228 HydrophobicContact CG-CD1 3.98Å; M218-Y228 HydrophobicContact CG-CE1 3.36Å; M218-Y228 HydrophobicContact CG-CE2 4.24Å; M218-Y228 HydrophobicContact SD-CE1 4.08Å; M218-Y228 HydrophobicContact SD-CE2 4.14Å; M218-Y228 VanDerWaalsContact SD-CZ 3.58Å; M218-Y228 PolarHBondContact SD-OH 2.87Å; P219-Y228 HydrophobicContact CG-CD2 3.93Å; P219-Y228 HydrophobicContact CG-CE2 4.36Å; P219-Y228 WeakPolarHBondContact O-CB 3.29Å; Y228-F230 AromaticContact CD2-CD1 3.98Å; Y228-F230 HydrophobicContact CD2-CD1 3.98Å; Y228-F230 AromaticContact CE2-CD1 3.59Å; Y228-F230 HydrophobicContact CE2-CD1 3.59Å; Y228-F230 AromaticContact CE2-CE1 3.73Å; Y228-F230 HydrophobicContact CE2-CE1 3.73Å; Y228-A239 HydrophobicContact CD1-CB 3.84Å; Y228-A239 HydrophobicContact CD2-CB 4.49Å; Y228-A239 HydrophobicContact CE1-CB 3.39Å; Y228-A239 HydrophobicContact CE2-CB 4.13Å; Y228-A239 HydrophobicContact CG-CB 4.34Å; Y228-A239 PolarHBondContact N-O 3.36Å; Y228-A239 PolarHBondContact O-N 3.32Å; Y228-W261 VanDerWaalsContact C-CZ2 3.48Å; Y228-W261 VanDerWaalsContact CA-CH2 3.45Å; Y228-W261 VanDerWaalsContact O-CH2 3.31Å; Y228-W261 WeakPolarHBondContact O-CH2 3.02Å
229	S	97.8	Very high	95.5	Very high	26 Å²	26	19.3 Å²	19.3	18%	0.182	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160.6	174.6	66.7	0	0	0	0	111.5	H236 I237 D265	S229-H236 PolarHBondContact OG-CE1 3.2Å; S229-I237 CarbonylContact C-O 3.19Å; S229-I237 WeakPolarHBondContact CA-O 3.3Å; S229-I237 WeakPolarHBondContact CB-O 3.41Å; S229-D265 WeakPolarHBondContact CB-OD1 3.06Å; S229-D265 WeakPolarHBondContact CB-OD2 3.45Å; S229-D265 PolarHBondContact OG-OD1 2.89Å
230	F	96.7	Very high	95.7	Very high	15 Å²	15	19.1 Å²	19.1	7%	0.066	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	160.4	175.4	62.3	-86.3	0	0	0	111.2	L37 M161 L163 M197 P219 Y228 V232 I237	L37-F230 HydrophobicContact CD1-CD2 3.62Å; L37-F230 HydrophobicContact CD1-CE2 3.92Å; L37-F230 HydrophobicContact CD1-CG 4.34Å; M161-F230 HydrophobicContact CE-CE2 3.68Å; M161-F230 HydrophobicContact CE-CZ 3.91Å; M161-F230 HydrophobicContact SD-CE2 3.93Å; M161-F230 HydrophobicContact SD-CZ 4.19Å; L163-F230 HydrophobicContact CD2-CZ 4Å; M197-F230 HydrophobicContact CB-CE1 4.21Å; M197-F230 HydrophobicContact CB-CZ 4.21Å; M197-F230 HydrophobicContact CE-CD1 3.76Å; M197-F230 HydrophobicContact CE-CE1 3.76Å; M197-F230 HydrophobicContact CE-CG 4.25Å; M197-F230 HydrophobicContact CE-CZ 4.27Å; M197-F230 HydrophobicContact CG-CE1 4.15Å; M197-F230 HydrophobicContact CG-CZ 3.89Å; P219-F230 HydrophobicContact CG-CB 4.19Å; Y228-F230 AromaticContact CD2-CD1 3.98Å; Y228-F230 HydrophobicContact CD2-CD1 3.98Å; Y228-F230 AromaticContact CE2-CD1 3.59Å; Y228-F230 HydrophobicContact CE2-CD1 3.59Å; Y228-F230 AromaticContact CE2-CE1 3.73Å; Y228-F230 HydrophobicContact CE2-CE1 3.73Å; F230-V232 HydrophobicContact CD2-CB 4.46Å; F230-V232 HydrophobicContact CE2-CB 4.32Å; F230-V232 HydrophobicContact CE2-CG1 4Å; F230-I237 HydrophobicContact CD2-CB 4.49Å; F230-I237 HydrophobicContact CE1-CB 3.97Å; F230-I237 HydrophobicContact CE1-CG2 3.94Å; F230-I237 HydrophobicContact CE2-CB 3.94Å; F230-I237 HydrophobicContact CE2-CD1 3.94Å; F230-I237 HydrophobicContact CE2-CG1 4.23Å; F230-I237 HydrophobicContact CZ-CB 3.67Å; F230-I237 HydrophobicContact CZ-CD1 3.97Å; F230-I237 HydrophobicContact CZ-CG1 4.28Å; F230-I237 HydrophobicContact CZ-CG2 3.77Å; F230-I237 PolarHBondContact N-O 3.13Å; F230-I237 PolarHBondContact O-N 2.85Å
231	N	96.2	Very high	96.1	Very high	64 Å²	64	17.7 Å²	17.7	34%	0.342	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136.1	177.7	-65.4	-28.2	0	0	0	111.1	A235 H236	N231-A235 WeakPolarHBondContact CA-O 3.43Å; N231-H236 PolarHBondContact OD1-ND1 2.81Å
232	V	96.1	Very high	96.6	Very high	7 Å²	7	16 Å²	16	4%	0.042	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	116.1	174.7	64.9	0	0	0	0	110.2	L122 W128 P130 M161 F230 A235 I237	L122-V232 HydrophobicContact CD1-CG2 4.23Å; W128-V232 HydrophobicContact CH2-CG2 4.12Å; W128-V232 HydrophobicContact CZ2-CG2 3.64Å; P130-V232 HydrophobicContact CB-CG2 4.06Å; P130-V232 HydrophobicContact CG-CG2 3.93Å; M161-V232 HydrophobicContact CE-CG1 4.11Å; M161-V232 HydrophobicContact CE-CG2 4.49Å; F230-V232 HydrophobicContact CD2-CB 4.46Å; F230-V232 HydrophobicContact CE2-CB 4.32Å; F230-V232 HydrophobicContact CE2-CG1 4Å; V232-A235 PolarHBondContact N-O 2.88Å; V232-A235 PolarHBondContact O-N 3.32Å; V232-I237 HydrophobicContact CG1-CD1 3.6Å; V232-I237 HydrophobicContact CG1-CG1 4.14Å
233	G	96.3	Very high	96.9	Very high	3 Å²	3	14.4 Å²	14.4	3%	0.031	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-130	-173.9	0	0	0	0	0	110.9	P126 W128 A235 H278	P126-G233 WeakPolarHBondContact CA-O 3.35Å; P126-G233 CarbonylContact O-C 3.6Å; P126-G233 WeakPolarHBondContact O-CA 3.37Å; W128-G233 VanDerWaalsContact NE1-CA 3.29Å; G233-A235 PolarHBondContact O-N 3.39Å; G233-H278 PolarHBondContact O-CE1 3.13Å; G233-H278 PolarHBondContact O-ND1 3.08Å
234	P	97.7	Very high	97.2	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.013	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	17.9	-179.2	37.3	-35.3	0	0	0	113	P126 W128 H278 P279 W280 I412 V415	P126-P234 WeakPolarHBondContact O-CD 3.44Å; P126-P234 VanDerWaalsContact O-N 3.15Å; W128-P234 WeakPolarHBondContact O-CD 3.43Å; P234-H278 CarbonylContact O-C 3.14Å; P234-H278 VanDerWaalsContact O-C 3.28Å; P234-H278 WeakPolarHBondContact O-CA 3.37Å; P234-P279 HydrophobicContact CB-CG 4.25Å; P234-P279 WeakPolarHBondContact O-CD 3.41Å; P234-W280 PolarHBondContact O-N 2.75Å; P234-I412 HydrophobicContact CG-CB 4.48Å; P234-I412 HydrophobicContact CG-CG2 3.49Å; P234-I412 VanDerWaalsContact CG-CG2 3.49Å; P234-V415 HydrophobicContact CB-CG1 4.32Å
235	A	98.3	Very high	97.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.4	177.9	0	0	0	0	0	113.3	N231 V232 G233 I237 W280 I282 I412	N231-A235 WeakPolarHBondContact CA-O 3.43Å; V232-A235 PolarHBondContact N-O 2.88Å; V232-A235 PolarHBondContact O-N 3.32Å; G233-A235 PolarHBondContact O-N 3.39Å; A235-I237 HydrophobicContact CB-CG1 4.18Å; A235-W280 CarbonylContact C-O 3.54Å; A235-W280 VanDerWaalsContact CA-O 3.27Å; A235-W280 WeakPolarHBondContact CA-O 3.29Å; A235-W280 HydrophobicContact CB-CB 3.96Å; A235-I282 HydrophobicContact CB-CD1 4.09Å; A235-I412 HydrophobicContact CB-CD1 3.61Å
236	H	98.2	Very high	97.4	Very high	13 Å²	13	10.1 Å²	10.1	6%	0.06	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116.8	160	179.9	73.2	0	0	0	107.4	S229 N231 V238 D265 H278 W280 I281 I282	S229-H236 PolarHBondContact OG-CE1 3.2Å; N231-H236 PolarHBondContact OD1-ND1 2.81Å; H236-V238 WeakPolarHBondContact NE2-CG2 3.26Å; H236-D265 IonicContact CE1-OD1 2.8Å; H236-D265 IonicContact CE1-OD2 2.8Å; H236-D265 IonicContact NE2-OD1 3.05Å; H236-D265 IonicContact NE2-OD2 3.64Å; H236-D265 PolarHBondContact NE2-OD2 3.44Å; H236-H278 HydrophobicContact CB-CB 4.18Å; H236-W280 PolarHBondContact N-O 3.09Å; H236-I281 HydrophobicContact CB-CG1 4.45Å; H236-I281 WeakPolarHBondContact O-CA 3.47Å; H236-I282 PolarHBondContact O-N 2.73Å
237	I	98.2	Very high	97.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.8	-176.9	-55.9	-173.1	0	0	0	108.9	L132 M161 L163 S229 F230 V232 A235 I282	L132-I237 HydrophobicContact CD2-CD1 3.92Å; M161-I237 HydrophobicContact CE-CD1 4.36Å; L163-I237 HydrophobicContact CD1-CD1 4.26Å; L163-I237 HydrophobicContact CD1-CG2 4.5Å; S229-I237 CarbonylContact C-O 3.19Å; S229-I237 WeakPolarHBondContact CA-O 3.3Å; S229-I237 WeakPolarHBondContact CB-O 3.41Å; F230-I237 HydrophobicContact CD2-CB 4.49Å; F230-I237 HydrophobicContact CE1-CB 3.97Å; F230-I237 HydrophobicContact CE1-CG2 3.94Å; F230-I237 HydrophobicContact CE2-CB 3.94Å; F230-I237 HydrophobicContact CE2-CD1 3.94Å; F230-I237 HydrophobicContact CE2-CG1 4.23Å; F230-I237 HydrophobicContact CZ-CB 3.67Å; F230-I237 HydrophobicContact CZ-CD1 3.97Å; F230-I237 HydrophobicContact CZ-CG1 4.28Å; F230-I237 HydrophobicContact CZ-CG2 3.77Å; F230-I237 PolarHBondContact N-O 3.13Å; F230-I237 PolarHBondContact O-N 2.85Å; V232-I237 HydrophobicContact CG1-CD1 3.6Å; V232-I237 HydrophobicContact CG1-CG1 4.14Å; A235-I237 HydrophobicContact CB-CG1 4.18Å; I237-I282 CarbonylContact C-O 3.55Å; I237-I282 VanDerWaalsContact CA-O 3.29Å; I237-I282 WeakPolarHBondContact CA-O 3.49Å; I237-I282 HydrophobicContact CG1-CB 4.33Å
238	V	98.6	Very high	97.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.2	-178.9	-178.8	0	0	0	0	109.2	H236 W261 L262 D265 I282 V283 I284	H236-V238 WeakPolarHBondContact NE2-CG2 3.26Å; V238-W261 HydrophobicContact CG1-CH2 3.92Å; V238-W261 HydrophobicContact CG1-CZ3 4Å; V238-L262 HydrophobicContact CG1-CD1 3.51Å; V238-D265 VanDerWaalsContact CG2-OD2 3.26Å; V238-D265 WeakPolarHBondContact CG2-OD2 3.46Å; V238-I282 PolarHBondContact N-O 3.38Å; V238-V283 HydrophobicContact CB-CG2 4.19Å; V238-V283 CarbonylContact O-C 3.59Å; V238-V283 VanDerWaalsContact O-CA 3.32Å; V238-V283 WeakPolarHBondContact O-CA 3.49Å; V238-I284 PolarHBondContact O-N 3.1Å
239	A	98.7	Very high	97.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.7	169.1	0	0	0	0	0	109.1	C199 F227 Y228 I284	C199-A239 HydrophobicContact CB-CB 4.17Å; F227-A239 CarbonylContact C-O 3.51Å; F227-A239 WeakPolarHBondContact CA-O 3.26Å; F227-A239 WeakPolarHBondContact CB-O 3.29Å; Y228-A239 HydrophobicContact CD1-CB 3.84Å; Y228-A239 HydrophobicContact CD2-CB 4.49Å; Y228-A239 HydrophobicContact CE1-CB 3.39Å; Y228-A239 HydrophobicContact CE2-CB 4.13Å; Y228-A239 HydrophobicContact CG-CB 4.34Å; Y228-A239 PolarHBondContact N-O 3.36Å; Y228-A239 PolarHBondContact O-N 3.32Å; A239-I284 WeakPolarHBondContact CA-O 3.38Å; A239-I284 HydrophobicContact CB-CD1 4.03Å; A239-I284 HydrophobicContact CB-CG1 3.74Å
240	F	98.4	Very high	96.9	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.018	11%	0.107	C	C	.	.			trans	-117.9	157.5	171.5	78.6	-81.1	0	0	0	110.4	V283 I284 V307 L326 F330	F240-V283 HydrophobicContact CD1-CG1 3.35Å; F240-V283 HydrophobicContact CE1-CG1 3.52Å; F240-I284 WeakPolarHBondContact CD1-O 3.25Å; F240-I284 PolarHBondContact N-O 3.41Å; F240-V307 HydrophobicContact CE2-CG1 3.87Å; F240-V307 HydrophobicContact CZ-CG1 4.15Å; F240-L326 HydrophobicContact CD2-CD1 3.51Å; F240-L326 HydrophobicContact CE2-CD1 3.39Å; F240-L326 HydrophobicContact CG-CD1 4.2Å; F240-L326 HydrophobicContact CZ-CD1 3.98Å; F240-F330 HydrophobicContact CD1-CZ 4.3Å; F240-F330 HydrophobicContact CE1-CE2 4.37Å; F240-F330 HydrophobicContact CE1-CZ 4.34Å
241	S	98.2	Very high	96.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.			trans	-93.6	111.1	171.3	-178.7	0	0	0	0	110.3	V200 Q226 E243 L244 Q258	V200-S241 WeakPolarHBondContact CG1-OG 3.34Å; Q226-S241 WeakPolarHBondContact O-CB 3.24Å; Q226-S241 PolarHBondContact O-N 3.24Å; S241-E243 PolarHBondContact O-N 3.42Å; S241-E243 PolarHBondContact OG-N 2.77Å; S241-L244 PolarHBondContact OG-N 3.07Å; S241-Q258 VanDerWaalsContact CB-OE1 3.3Å; S241-Q258 PolarHBondContact O-NE2 3.17Å; S241-Q258 PolarHBondContact O-OE1 3.47Å
242	S	97.8	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-63.6	-27.9	164.9	44.8	0	0	0	0	111.9	L244 Y245 Y246 H286 R287	S242-L244 VanDerWaalsContact C-N 3.27Å; S242-L244 PolarHBondContact O-N 2.82Å; S242-Y245 WeakPolarHBondContact O-CB 3.34Å; S242-Y245 WeakPolarHBondContact O-CD2 3.37Å; S242-Y245 PolarHBondContact O-N 2.66Å; S242-Y245 VanDerWaalsContact O-N 3.12Å; S242-Y246 WeakPolarHBondContact O-CD2 3.39Å; S242-H286 PolarHBondContact OG-N 2.8Å; S242-R287 PolarHBondContact OG-N 3.46Å
243	E	97.5	Very high	96.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-68.6	-25.1	-173.4	-53.6	-40.2	110.5	0	0	113.3	V200 G201 N202 F209 S241 Y245 Y246 F247 H286 R287	V200-E243 HydrophobicContact CG1-CG 4.29Å; G201-E243 VanDerWaalsContact C-CG 3.49Å; G201-E243 WeakPolarHBondContact O-CG 3.47Å; N202-E243 WeakPolarHBondContact CB-OE2 3.31Å; F209-E243 HydrophobicContact CE1-CB 3.81Å; F209-E243 HydrophobicContact CE1-CG 4.15Å; F209-E243 HydrophobicContact CZ-CB 3.7Å; S241-E243 PolarHBondContact O-N 3.42Å; S241-E243 PolarHBondContact OG-N 2.77Å; E243-Y245 PolarHBondContact O-N 3.02Å; E243-Y245 VanDerWaalsContact O-N 3.09Å; E243-Y246 PolarHBondContact O-N 3.28Å; E243-F247 HydrophobicContact CB-CD2 3.82Å; E243-F247 HydrophobicContact CB-CE2 4.19Å; E243-F247 WeakPolarHBondContact O-CD2 3.45Å; E243-F247 PolarHBondContact O-N 3.34Å; E243-F247 WeakPolarHBondContact OE2-CE2 3.46Å; E243-H286 IonicContact OE1-CD2 2.79Å; E243-R287 WeakPolarHBondContact OE1-CD 3.3Å; E243-R287 WeakPolarHBondContact OE1-CG 3.07Å; E243-R287 IonicContact OE1-NE 3.15Å; E243-R287 PolarHBondContact OE1-NE 3.25Å; E243-R287 IonicContact OE2-CZ 3.46Å; E243-R287 IonicContact OE2-NE 2.65Å; E243-R287 PolarHBondContact OE2-NE 3.36Å; E243-R287 IonicContact OE2-NH2 3.3Å
244	L	96.5	Very high	96.5	Very high	15 Å²	15	36.4 Å²	36.4	8%	0.079	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-62.8	-17.1	174.7	-63.3	-179.2	0	0	0	113.3	F227 S241 S242 L248 T254 L255 Q258	F227-L244 HydrophobicContact CD1-CD1 4.18Å; F227-L244 HydrophobicContact CE1-CD1 4.29Å; S241-L244 PolarHBondContact OG-N 3.07Å; S242-L244 VanDerWaalsContact C-N 3.27Å; S242-L244 PolarHBondContact O-N 2.82Å; L244-L248 WeakPolarHBondContact O-CD2 3.33Å; L244-T254 HydrophobicContact CD1-CG2 3.74Å; L244-T254 HydrophobicContact CD2-CG2 3.87Å; L244-T254 HydrophobicContact CG-CG2 4.49Å; L244-L255 HydrophobicContact CB-CB 4.11Å; L244-L255 HydrophobicContact CB-CD1 4.06Å; L244-Q258 HydrophobicContact CD1-CB 3.94Å; L244-Q258 HydrophobicContact CD1-CG 4.45Å
245	Y	96.1	Very high	96.4	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.012	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-81	-22.4	173	-67.9	-97.3	0	0	0	113.2	S242 E243 L255 I306 V307 F311 M324 L326	S242-Y245 WeakPolarHBondContact O-CB 3.34Å; S242-Y245 WeakPolarHBondContact O-CD2 3.37Å; S242-Y245 PolarHBondContact O-N 2.66Å; S242-Y245 VanDerWaalsContact O-N 3.12Å; E243-Y245 PolarHBondContact O-N 3.02Å; E243-Y245 VanDerWaalsContact O-N 3.09Å; Y245-L255 HydrophobicContact CD1-CD1 4.13Å; Y245-L255 HydrophobicContact CD2-CD1 3.95Å; Y245-L255 HydrophobicContact CE1-CD1 3.89Å; Y245-L255 HydrophobicContact CE2-CD1 3.71Å; Y245-L255 HydrophobicContact CG-CD1 4.14Å; Y245-I306 HydrophobicContact CD1-CG1 4.4Å; Y245-V307 HydrophobicContact CD2-CG2 4.34Å; Y245-V307 HydrophobicContact CG-CG2 4.36Å; Y245-F311 AromaticContact CD1-CE2 3.57Å; Y245-F311 HydrophobicContact CD1-CE2 3.57Å; Y245-F311 AromaticContact CD1-CZ 3.95Å; Y245-F311 HydrophobicContact CD1-CZ 3.95Å; Y245-F311 AromaticContact CE1-CE2 3.99Å; Y245-F311 HydrophobicContact CE1-CE2 3.99Å; Y245-M324 HydrophobicContact CE1-CB 4.37Å; Y245-M324 VanDerWaalsContact CE1-O 3.31Å; Y245-M324 WeakPolarHBondContact CE1-O 3.26Å; Y245-M324 PolarHBondContact OH-O 3.49Å; Y245-L326 HydrophobicContact CE2-CD1 4.03Å; Y245-L326 HydrophobicContact CE2-CG 4.38Å; Y245-L326 WeakPolarHBondContact OH-CD2 3.34Å; Y245-L326 VanDerWaalsContact OH-CG 3.28Å; Y245-L326 WeakPolarHBondContact OH-CG 3.21Å
246	Y	95.5	Very high	96.3	Very high	55 Å²	55	39.8 Å²	39.8	22%	0.216	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-31.3	-173.7	-63.5	-89	0	0	0	113	S242 E243 L248 R287 M298 H299 I306 V307	S242-Y246 WeakPolarHBondContact O-CD2 3.39Å; E243-Y246 PolarHBondContact O-N 3.28Å; Y246-L248 VanDerWaalsContact C-N 3.34Å; Y246-L248 PolarHBondContact O-N 2.69Å; Y246-R287 VanDerWaalsContact CD2-CD 3.48Å; Y246-R287 HydrophobicContact CE2-CG 4.48Å; Y246-M298 HydrophobicContact CD1-CE 4.16Å; Y246-M298 HydrophobicContact CE1-CE 3.73Å; Y246-M298 HydrophobicContact CE1-SD 4.13Å; Y246-H299 AromaticContact CE1-NE2 3.81Å; Y246-H299 AromaticContact CZ-CD2 3.96Å; Y246-H299 AromaticContact CZ-NE2 3.43Å; Y246-H299 PolarHBondContact OH-CD2 2.8Å; Y246-H299 PolarHBondContact OH-NE2 3.13Å; Y246-H299 VanDerWaalsContact OH-NE2 3.1Å; Y246-I306 HydrophobicContact CD1-CG2 4.37Å; Y246-I306 HydrophobicContact CD2-CG2 4.47Å; Y246-I306 HydrophobicContact CE1-CG2 3.63Å; Y246-I306 HydrophobicContact CE2-CG2 3.75Å; Y246-I306 VanDerWaalsContact OH-CG2 3.31Å; Y246-I306 WeakPolarHBondContact OH-CG2 3.4Å; Y246-V307 HydrophobicContact CE2-CG2 3.72Å
247	F	95.7	Very high	96.2	Very high	41 Å²	41	43.4 Å²	43.4	18%	0.18	21%	0.207	C	C	.	.			trans	-97	41.6	-176	-68.2	-92	0	0	0	113	N202 A205 F209 E243 F249 Y250	N202-F247 HydrophobicContact CB-CE2 4.18Å; N202-F247 HydrophobicContact CB-CZ 4.29Å; A205-F247 HydrophobicContact CB-CD1 3.59Å; A205-F247 HydrophobicContact CB-CD2 4.3Å; A205-F247 HydrophobicContact CB-CE1 3.13Å; A205-F247 HydrophobicContact CB-CE2 3.88Å; A205-F247 HydrophobicContact CB-CG 4.19Å; A205-F247 HydrophobicContact CB-CZ 3.28Å; F209-F247 HydrophobicContact CE2-CB 4.25Å; F209-F247 HydrophobicContact CE2-CG 4.49Å; F209-F247 HydrophobicContact CZ-CB 4.08Å; F209-F247 AromaticContact CZ-CD2 3.94Å; F209-F247 HydrophobicContact CZ-CD2 3.94Å; F209-F247 AromaticContact CZ-CG 3.92Å; F209-F247 HydrophobicContact CZ-CG 3.92Å; E243-F247 HydrophobicContact CB-CD2 3.82Å; E243-F247 HydrophobicContact CB-CE2 4.19Å; E243-F247 WeakPolarHBondContact O-CD2 3.45Å; E243-F247 PolarHBondContact O-N 3.34Å; E243-F247 WeakPolarHBondContact OE2-CE2 3.46Å; F247-F249 HydrophobicContact CB-CE1 4.15Å; F247-F249 AromaticContact CD1-CE1 3.41Å; F247-F249 HydrophobicContact CD1-CE1 3.41Å; F247-F249 VanDerWaalsContact CD1-CE1 3.41Å; F247-F249 AromaticContact CD1-CZ 3.55Å; F247-F249 HydrophobicContact CD1-CZ 3.55Å; F247-F249 HydrophobicContact CE1-CE1 4.18Å; F247-F249 HydrophobicContact CE1-CZ 4.25Å; F247-F249 HydrophobicContact CG-CE1 4.18Å; F247-F249 PolarHBondContact O-N 3.39Å; F247-Y250 HydrophobicContact CB-CD2 3.86Å; F247-Y250 HydrophobicContact CB-CE2 4.22Å; F247-Y250 HydrophobicContact CD1-CE2 4.11Å; F247-Y250 PolarHBondContact O-N 3.46Å
248	L	94.5	Very high	96.2	Very high	42 Å²	42	43.4 Å²	43.4	22%	0.22	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-61.9	-16.1	-176.5	-66.5	175.7	0	0	0	114.7	L244 Y246 Y250 G251 W252 L255 F311	L244-L248 WeakPolarHBondContact O-CD2 3.33Å; Y246-L248 VanDerWaalsContact C-N 3.34Å; Y246-L248 PolarHBondContact O-N 2.69Å; L248-Y250 PolarHBondContact O-N 2.8Å; L248-G251 WeakPolarHBondContact O-CA 3.38Å; L248-G251 PolarHBondContact O-N 2.96Å; L248-W252 HydrophobicContact CD1-CH2 3.68Å; L248-W252 HydrophobicContact CD1-CZ2 3.36Å; L248-W252 HydrophobicContact CD1-CZ3 4.38Å; L248-W252 HydrophobicContact CD2-CD2 3.82Å; L248-W252 HydrophobicContact CD2-CE3 3.96Å; L248-W252 HydrophobicContact CD2-CG 4.35Å; L248-W252 HydrophobicContact CD2-CH2 4.26Å; L248-W252 HydrophobicContact CD2-CZ2 4.14Å; L248-W252 HydrophobicContact CD2-CZ3 4.17Å; L248-W252 HydrophobicContact CG-CZ2 4.28Å; L248-L255 HydrophobicContact CD2-CD2 3.75Å; L248-F311 HydrophobicContact CD1-CE1 3.62Å; L248-F311 HydrophobicContact CD1-CZ 3.98Å; L248-F311 HydrophobicContact CD2-CZ 4.22Å
249	F	95	Very high	96.2	Very high	146 Å²	146	44 Å²	44	64%	0.64	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-66.7	-17.5	173.6	65.5	-95.3	0	0	0	112.9	F247 G251	F247-F249 HydrophobicContact CB-CE1 4.15Å; F247-F249 AromaticContact CD1-CE1 3.41Å; F247-F249 HydrophobicContact CD1-CE1 3.41Å; F247-F249 VanDerWaalsContact CD1-CE1 3.41Å; F247-F249 AromaticContact CD1-CZ 3.55Å; F247-F249 HydrophobicContact CD1-CZ 3.55Å; F247-F249 HydrophobicContact CE1-CE1 4.18Å; F247-F249 HydrophobicContact CE1-CZ 4.25Å; F247-F249 HydrophobicContact CG-CE1 4.18Å; F247-F249 PolarHBondContact O-N 3.39Å; F249-G251 VanDerWaalsContact C-N 3.26Å
250	Y	94.5	Very high	96.1	Very high	82 Å²	82	47 Å²	47	32%	0.322	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-80	-6.9	166.7	-64.8	-51.7	0	0	0	113.5	A205 N208 F209 F247 L248	A205-Y250 WeakPolarHBondContact O-CE2 3.2Å; A205-Y250 PolarHBondContact O-OH 3.47Å; N208-Y250 VanDerWaalsContact CA-CZ 3.43Å; N208-Y250 HydrophobicContact CB-CD1 3.71Å; N208-Y250 HydrophobicContact CB-CD2 4.48Å; N208-Y250 HydrophobicContact CB-CE1 3.64Å; N208-Y250 HydrophobicContact CB-CE2 4.42Å; N208-Y250 HydrophobicContact CB-CG 4.15Å; N208-Y250 PolarHBondContact N-OH 2.9Å; F209-Y250 HydrophobicContact CD2-CD2 4.39Å; F209-Y250 HydrophobicContact CD2-CE2 4.36Å; F209-Y250 AromaticContact CE2-CD2 3.84Å; F209-Y250 HydrophobicContact CE2-CD2 3.84Å; F209-Y250 AromaticContact CE2-CE2 3.94Å; F209-Y250 HydrophobicContact CE2-CE2 3.94Å; F247-Y250 HydrophobicContact CB-CD2 3.86Å; F247-Y250 HydrophobicContact CB-CE2 4.22Å; F247-Y250 HydrophobicContact CD1-CE2 4.11Å; F247-Y250 PolarHBondContact O-N 3.46Å; L248-Y250 PolarHBondContact O-N 2.8Å
251	G	93.2	Very high	96.1	Very high	35 Å²	35	49 Å²	49	36%	0.361	23%	0.233	S	C	.	.			trans	110.8	152.7	174.9	0	0	0	0	0	113.9	L248 F249	L248-G251 WeakPolarHBondContact O-CA 3.38Å; L248-G251 PolarHBondContact O-N 2.96Å; F249-G251 VanDerWaalsContact C-N 3.26Å
252	W	94.2	Very high	96	Very high	121 Å²	121	49 Å²	49	46%	0.458	23%	0.233	S	C	.	.	S	Bend	trans	-79.1	-18.2	-177.9	-72.7	78.9	0	0	0	114.2	L248 T254 L255 V256 F311 M324	L248-W252 HydrophobicContact CD1-CH2 3.68Å; L248-W252 HydrophobicContact CD1-CZ2 3.36Å; L248-W252 HydrophobicContact CD1-CZ3 4.38Å; L248-W252 HydrophobicContact CD2-CD2 3.82Å; L248-W252 HydrophobicContact CD2-CE3 3.96Å; L248-W252 HydrophobicContact CD2-CG 4.35Å; L248-W252 HydrophobicContact CD2-CH2 4.26Å; L248-W252 HydrophobicContact CD2-CZ2 4.14Å; L248-W252 HydrophobicContact CD2-CZ3 4.17Å; L248-W252 HydrophobicContact CG-CZ2 4.28Å; W252-T254 VanDerWaalsContact C-N 3.34Å; W252-T254 PolarHBondContact O-N 2.58Å; W252-L255 HydrophobicContact CE3-CD2 3.79Å; W252-L255 HydrophobicContact CZ3-CD2 3.91Å; W252-L255 WeakPolarHBondContact O-CB 3.07Å; W252-L255 PolarHBondContact O-N 3.43Å; W252-V256 WeakPolarHBondContact O-CG2 3.21Å; W252-V256 PolarHBondContact O-N 3.46Å; W252-F311 AromaticContact CH2-CD1 3.6Å; W252-F311 HydrophobicContact CH2-CD1 3.6Å; W252-F311 HydrophobicContact CH2-CD2 4.31Å; W252-F311 AromaticContact CH2-CE1 3.56Å; W252-F311 HydrophobicContact CH2-CE1 3.56Å; W252-F311 HydrophobicContact CH2-CE2 4.3Å; W252-F311 AromaticContact CH2-CG 3.98Å; W252-F311 HydrophobicContact CH2-CG 3.98Å; W252-F311 AromaticContact CH2-CZ 3.92Å; W252-F311 HydrophobicContact CH2-CZ 3.92Å; W252-F311 HydrophobicContact CZ2-CE1 4.47Å; W252-F311 HydrophobicContact CZ3-CD1 4.1Å; W252-F311 AromaticContact CZ3-CD2 3.97Å; W252-F311 HydrophobicContact CZ3-CD2 3.97Å; W252-F311 AromaticContact CZ3-CE1 3.97Å; W252-F311 HydrophobicContact CZ3-CE1 3.97Å; W252-F311 AromaticContact CZ3-CE2 3.87Å; W252-F311 HydrophobicContact CZ3-CE2 3.87Å; W252-F311 HydrophobicContact CZ3-CG 4.09Å; W252-F311 AromaticContact CZ3-CZ 3.85Å; W252-F311 HydrophobicContact CZ3-CZ 3.85Å; W252-M324 HydrophobicContact CE3-CE 4.22Å; W252-M324 HydrophobicContact CZ3-CE 3.93Å
253	K	95.3	Very high	96	Very high	163 Å²	163	50.8 Å²	50.8	71%	0.709	24%	0.24	S	C	*	.	H	α-helix	trans	-56.5	-47.4	-172.1	-176.3	-176.7	175.7	-173.1	0	111.8	V256 M257	K253-V256 PolarHBondContact O-N 2.87Å; K253-M257 HydrophobicContact CD-SD 4.37Å; K253-M257 HydrophobicContact CG-CG 4.46Å; K253-M257 HydrophobicContact CG-SD 3.95Å; K253-M257 WeakPolarHBondContact O-CB 3.24Å; K253-M257 VanDerWaalsContact O-CG 3.29Å; K253-M257 WeakPolarHBondContact O-CG 3.01Å; K253-M257 PolarHBondContact O-N 3.18Å
254	T	94.2	Very high	96.1	Very high	42 Å²	42	56.1 Å²	56.1	26%	0.258	26%	0.263	S	S	.	.	H	α-helix	trans	-67.1	-37.7	-177.4	-47.5	0	0	0	0	111.8	F227 L244 W252 M257 Q258	F227-T254 HydrophobicContact CE1-CG2 4.02Å; L244-T254 HydrophobicContact CD1-CG2 3.74Å; L244-T254 HydrophobicContact CD2-CG2 3.87Å; L244-T254 HydrophobicContact CG-CG2 4.49Å; W252-T254 VanDerWaalsContact C-N 3.34Å; W252-T254 PolarHBondContact O-N 2.58Å; T254-M257 PolarHBondContact O-N 2.99Å; T254-Q258 WeakPolarHBondContact O-CB 3.45Å; T254-Q258 PolarHBondContact O-N 3.28Å
255	L	96	Very high	96.1	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-47.4	173.9	171.8	63.1	0	0	0	111.7	L244 Y245 L248 W252 M257 Q258 Y259 F311 M324	L244-L255 HydrophobicContact CB-CB 4.11Å; L244-L255 HydrophobicContact CB-CD1 4.06Å; Y245-L255 HydrophobicContact CD1-CD1 4.13Å; Y245-L255 HydrophobicContact CD2-CD1 3.95Å; Y245-L255 HydrophobicContact CE1-CD1 3.89Å; Y245-L255 HydrophobicContact CE2-CD1 3.71Å; Y245-L255 HydrophobicContact CG-CD1 4.14Å; L248-L255 HydrophobicContact CD2-CD2 3.75Å; W252-L255 HydrophobicContact CE3-CD2 3.79Å; W252-L255 HydrophobicContact CZ3-CD2 3.91Å; W252-L255 WeakPolarHBondContact O-CB 3.07Å; W252-L255 PolarHBondContact O-N 3.43Å; L255-M257 VanDerWaalsContact C-N 3.33Å; L255-M257 PolarHBondContact O-N 2.76Å; L255-Q258 WeakPolarHBondContact O-CB 3.11Å; L255-Q258 PolarHBondContact O-N 3.09Å; L255-Y259 PolarHBondContact O-N 2.79Å; L255-F311 HydrophobicContact CD2-CE2 3.45Å; L255-F311 VanDerWaalsContact CD2-CE2 3.45Å; L255-F311 HydrophobicContact CD2-CZ 3.71Å; L255-M324 HydrophobicContact CD2-CE 3.91Å; L255-M324 HydrophobicContact CD2-SD 4.32Å; L255-M324 HydrophobicContact CG-CE 4.29Å; L255-M324 HydrophobicContact CG-SD 4.05Å
256	V	96.3	Very high	96.2	Very high	73 Å²	73	56.1 Å²	56.1	44%	0.442	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-42.8	177.6	174.5	0	0	0	0	110.7	W252 K253 Q258 Y259 D260 M324	W252-V256 WeakPolarHBondContact O-CG2 3.21Å; W252-V256 PolarHBondContact O-N 3.46Å; K253-V256 PolarHBondContact O-N 2.87Å; V256-Q258 VanDerWaalsContact C-N 3.34Å; V256-Q258 PolarHBondContact O-N 3.46Å; V256-Y259 PolarHBondContact O-N 3.02Å; V256-D260 WeakPolarHBondContact O-CB 3.18Å; V256-D260 PolarHBondContact O-N 3.11Å; V256-M324 HydrophobicContact CG2-SD 4.19Å
257	M	96.8	Very high	96.4	Very high	88 Å²	88	56.9 Å²	56.9	43%	0.433	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-42.5	174.8	-74	174.8	59.4	0	0	112	F227 K253 T254 L255 W261	F227-M257 HydrophobicContact CZ-CB 4.2Å; K253-M257 HydrophobicContact CD-SD 4.37Å; K253-M257 HydrophobicContact CG-CG 4.46Å; K253-M257 HydrophobicContact CG-SD 3.95Å; K253-M257 WeakPolarHBondContact O-CB 3.24Å; K253-M257 VanDerWaalsContact O-CG 3.29Å; K253-M257 WeakPolarHBondContact O-CG 3.01Å; K253-M257 PolarHBondContact O-N 3.18Å; T254-M257 PolarHBondContact O-N 2.99Å; L255-M257 VanDerWaalsContact C-N 3.33Å; L255-M257 PolarHBondContact O-N 2.76Å; M257-W261 WeakPolarHBondContact O-CB 3.25Å; M257-W261 PolarHBondContact O-N 3.23Å
258	Q	97.6	Very high	96.5	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-48.3	176.2	179	174.6	-90.6	0	0	111.2	F227 S241 L244 T254 L255 V256 W261 L262	F227-Q258 HydrophobicContact CB-CG 4.12Å; F227-Q258 HydrophobicContact CD1-CB 3.67Å; F227-Q258 HydrophobicContact CD1-CG 3.83Å; F227-Q258 HydrophobicContact CE1-CB 3.64Å; F227-Q258 HydrophobicContact CE1-CG 4.32Å; F227-Q258 HydrophobicContact CG-CB 4.14Å; F227-Q258 HydrophobicContact CG-CG 3.92Å; F227-Q258 HydrophobicContact CZ-CB 4.08Å; S241-Q258 VanDerWaalsContact CB-OE1 3.3Å; S241-Q258 PolarHBondContact O-NE2 3.17Å; S241-Q258 PolarHBondContact O-OE1 3.47Å; L244-Q258 HydrophobicContact CD1-CB 3.94Å; L244-Q258 HydrophobicContact CD1-CG 4.45Å; T254-Q258 WeakPolarHBondContact O-CB 3.45Å; T254-Q258 PolarHBondContact O-N 3.28Å; L255-Q258 WeakPolarHBondContact O-CB 3.11Å; L255-Q258 PolarHBondContact O-N 3.09Å; V256-Q258 VanDerWaalsContact C-N 3.34Å; V256-Q258 PolarHBondContact O-N 3.46Å; Q258-W261 PolarHBondContact O-N 2.85Å; Q258-L262 WeakPolarHBondContact O-CB 3.45Å; Q258-L262 PolarHBondContact O-N 2.88Å
259	Y	97.3	Very high	96.6	Very high	14 Å²	14	57.3 Å²	57.3	6%	0.055	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-45.7	-177.2	-170	-92.3	0	0	0	111.9	L255 V256 L262 Y263 M324 L326 L329 Y459	L255-Y259 PolarHBondContact O-N 2.79Å; V256-Y259 PolarHBondContact O-N 3.02Å; Y259-L262 PolarHBondContact O-N 3.37Å; Y259-Y263 WeakPolarHBondContact O-CB 3.31Å; Y259-Y263 PolarHBondContact O-N 2.99Å; Y259-M324 HydrophobicContact CD1-CG 3.97Å; Y259-M324 HydrophobicContact CD2-CB 3.64Å; Y259-M324 HydrophobicContact CD2-CG 3.82Å; Y259-M324 HydrophobicContact CE1-CG 4.41Å; Y259-M324 HydrophobicContact CE2-CB 3.96Å; Y259-M324 HydrophobicContact CE2-CG 4.31Å; Y259-M324 HydrophobicContact CG-CB 4.02Å; Y259-M324 HydrophobicContact CG-CG 3.64Å; Y259-M324 HydrophobicContact CG-SD 4.5Å; Y259-L326 HydrophobicContact CD2-CD2 3.93Å; Y259-L326 HydrophobicContact CE2-CD2 4.07Å; Y259-L329 HydrophobicContact CE2-CD2 4.16Å; Y259-Y459 HydrophobicContact CD1-CE2 4.34Å; Y259-Y459 HydrophobicContact CE1-CD1 4.11Å; Y259-Y459 AromaticContact CE1-CD2 3.73Å; Y259-Y459 HydrophobicContact CE1-CD2 3.73Å; Y259-Y459 HydrophobicContact CE1-CE1 4.16Å; Y259-Y459 AromaticContact CE1-CE2 3.78Å; Y259-Y459 HydrophobicContact CE1-CE2 3.78Å; Y259-Y459 AromaticContact CE1-CG 3.9Å; Y259-Y459 HydrophobicContact CE1-CG 3.9Å
260	D	96.9	Very high	96.8	Very high	61 Å²	61	51.4 Å²	51.4	33%	0.326	25%	0.248	S	C	.	.	H	α-helix	trans	-64.3	-42.7	176.2	174.1	65.1	0	0	0	112.2	V256 K264	V256-D260 WeakPolarHBondContact O-CB 3.18Å; V256-D260 PolarHBondContact O-N 3.11Å; D260-K264 WeakPolarHBondContact O-CG 3.17Å; D260-K264 PolarHBondContact O-N 2.93Å; D260-K264 VanDerWaalsContact O-N 3.13Å; D260-K264 WeakPolarHBondContact OD1-CE 3.27Å; D260-K264 IonicContact OD1-NZ 3.79Å; D260-K264 PolarHBondContact OD1-NZ 2.89Å; D260-K264 IonicContact OD2-NZ 3.63Å; D260-K264 PolarHBondContact OD2-NZ 3.33Å
261	W	97.9	Very high	97	Very high	47 Å²	47	51.2 Å²	51.2	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-48.2	175.2	171.2	82.1	0	0	0	111.4	F227 Y228 V238 M257 Q258 Y263 K264 D265	F227-W261 HydrophobicContact CB-CE3 4.3Å; F227-W261 HydrophobicContact CB-CZ3 4.16Å; F227-W261 HydrophobicContact CD2-CB 4.4Å; F227-W261 AromaticContact CD2-CD2 3.62Å; F227-W261 HydrophobicContact CD2-CD2 3.62Å; F227-W261 AromaticContact CD2-CE3 3.45Å; F227-W261 HydrophobicContact CD2-CE3 3.45Å; F227-W261 VanDerWaalsContact CD2-CE3 3.45Å; F227-W261 HydrophobicContact CD2-CG 4.02Å; F227-W261 HydrophobicContact CD2-CZ3 4.06Å; F227-W261 HydrophobicContact CE2-CB 3.91Å; F227-W261 AromaticContact CE2-CD2 3.96Å; F227-W261 HydrophobicContact CE2-CD2 3.96Å; F227-W261 HydrophobicContact CE2-CE3 4.13Å; F227-W261 AromaticContact CE2-CG 3.84Å; F227-W261 HydrophobicContact CE2-CG 3.84Å; F227-W261 HydrophobicContact CG-CE3 4.23Å; Y228-W261 VanDerWaalsContact C-CZ2 3.48Å; Y228-W261 VanDerWaalsContact CA-CH2 3.45Å; Y228-W261 VanDerWaalsContact O-CH2 3.31Å; Y228-W261 WeakPolarHBondContact O-CH2 3.02Å; V238-W261 HydrophobicContact CG1-CH2 3.92Å; V238-W261 HydrophobicContact CG1-CZ3 4Å; M257-W261 WeakPolarHBondContact O-CB 3.25Å; M257-W261 PolarHBondContact O-N 3.23Å; Q258-W261 PolarHBondContact O-N 2.85Å; W261-Y263 VanDerWaalsContact C-N 3.34Å; W261-Y263 PolarHBondContact O-N 2.8Å; W261-K264 PolarHBondContact O-N 3.26Å; W261-K264 VanDerWaalsContact O-N 3.14Å; W261-D265 HydrophobicContact CH2-CB 4.35Å; W261-D265 HydrophobicContact CZ2-CB 4.11Å; W261-D265 VanDerWaalsContact O-CB 3.31Å; W261-D265 WeakPolarHBondContact O-CB 3.15Å; W261-D265 PolarHBondContact O-N 3.24Å
262	L	98	Very high	97.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-41.6	-178.7	-179.5	60.6	0	0	0	111.8	V238 Q258 Y259 D265 L266 L326 L329 F330	V238-L262 HydrophobicContact CG1-CD1 3.51Å; Q258-L262 WeakPolarHBondContact O-CB 3.45Å; Q258-L262 PolarHBondContact O-N 2.88Å; Y259-L262 PolarHBondContact O-N 3.37Å; L262-D265 PolarHBondContact O-N 3.04Å; L262-L266 HydrophobicContact CD1-CD1 4.32Å; L262-L266 HydrophobicContact CD1-CG 4.38Å; L262-L266 HydrophobicContact CG-CD1 4.25Å; L262-L266 WeakPolarHBondContact O-CB 3.14Å; L262-L266 VanDerWaalsContact O-CG 3.27Å; L262-L266 WeakPolarHBondContact O-CG 3.32Å; L262-L266 PolarHBondContact O-N 2.57Å; L262-L326 HydrophobicContact CD2-CD2 3.61Å; L262-L329 HydrophobicContact CD2-CD2 3.84Å; L262-L329 HydrophobicContact CG-CD2 3.87Å; L262-F330 HydrophobicContact CD1-CE1 4.15Å; L262-F330 HydrophobicContact CD2-CE1 3.74Å; L262-F330 HydrophobicContact CD2-CZ 4Å; L262-F330 HydrophobicContact CG-CE1 4.23Å
263	Y	97.7	Very high	97.3	Very high	37 Å²	37	53.9 Å²	53.9	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-47.4	173.3	174.2	-99.1	0	0	0	111.9	Y259 W261 L266 L267 L329 Y333 Y460	Y259-Y263 WeakPolarHBondContact O-CB 3.31Å; Y259-Y263 PolarHBondContact O-N 2.99Å; W261-Y263 VanDerWaalsContact C-N 3.34Å; W261-Y263 PolarHBondContact O-N 2.8Å; Y263-L266 PolarHBondContact O-N 3.07Å; Y263-L267 HydrophobicContact CD1-CD1 3.9Å; Y263-L267 HydrophobicContact CE1-CD1 3.26Å; Y263-L267 HydrophobicContact CE1-CG 4.11Å; Y263-L267 HydrophobicContact CE2-CD1 4.45Å; Y263-L267 WeakPolarHBondContact O-CG 3.16Å; Y263-L267 PolarHBondContact O-N 3.01Å; Y263-L329 HydrophobicContact CD2-CD1 3.77Å; Y263-Y333 AromaticContact CD2-CE2 3.85Å; Y263-Y333 HydrophobicContact CD2-CE2 3.85Å; Y263-Y333 AromaticContact CE2-CE2 3.7Å; Y263-Y333 HydrophobicContact CE2-CE2 3.7Å; Y263-Y333 AromaticContact CE2-CZ 3.59Å; Y263-Y333 WeakPolarHBondContact CE2-OH 3.43Å; Y263-Y333 PolarHBondContact OH-OH 2.81Å; Y263-Y460 AromaticContact CD1-CE2 3.77Å; Y263-Y460 HydrophobicContact CD1-CE2 3.77Å; Y263-Y460 AromaticContact CD1-CZ 3.71Å; Y263-Y460 WeakPolarHBondContact CD1-OH 3.05Å; Y263-Y460 AromaticContact CD2-CE2 3.64Å; Y263-Y460 HydrophobicContact CD2-CE2 3.64Å; Y263-Y460 HydrophobicContact CE1-CD2 4.32Å; Y263-Y460 HydrophobicContact CE1-CE1 4.43Å; Y263-Y460 AromaticContact CE1-CE2 3.33Å; Y263-Y460 HydrophobicContact CE1-CE2 3.33Å; Y263-Y460 AromaticContact CE1-CZ 3.37Å; Y263-Y460 WeakPolarHBondContact CE1-OH 3.26Å; Y263-Y460 AromaticContact CE2-CD2 3.8Å; Y263-Y460 HydrophobicContact CE2-CD2 3.8Å; Y263-Y460 AromaticContact CE2-CE2 3.19Å; Y263-Y460 HydrophobicContact CE2-CE2 3.19Å; Y263-Y460 AromaticContact CG-CE2 3.9Å; Y263-Y460 HydrophobicContact CG-CE2 3.9Å; Y263-Y460 AromaticContact CZ-CD2 3.68Å; Y263-Y460 AromaticContact CZ-CE2 3.04Å; Y263-Y460 AromaticContact CZ-CZ 3.62Å; Y263-Y460 WeakPolarHBondContact OH-CE2 3.16Å
264	K	97.9	Very high	97.4	Very high	112 Å²	112	48.1 Å²	48.1	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-66.6	-38.9	179.1	-72	168.1	-178.6	163.9	0	112.6	D260 W261 L267 E268	D260-K264 WeakPolarHBondContact O-CG 3.17Å; D260-K264 PolarHBondContact O-N 2.93Å; D260-K264 VanDerWaalsContact O-N 3.13Å; D260-K264 WeakPolarHBondContact OD1-CE 3.27Å; D260-K264 IonicContact OD1-NZ 3.79Å; D260-K264 PolarHBondContact OD1-NZ 2.89Å; D260-K264 IonicContact OD2-NZ 3.63Å; D260-K264 PolarHBondContact OD2-NZ 3.33Å; W261-K264 PolarHBondContact O-N 3.26Å; W261-K264 VanDerWaalsContact O-N 3.14Å; K264-L267 WeakPolarHBondContact O-CB 3.12Å; K264-L267 PolarHBondContact O-N 3.07Å; K264-E268 PolarHBondContact O-N 2.83Å
265	D	98.1	Very high	97.5	Very high	19 Å²	19	46.9 Å²	46.9	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-45.3	177	-174.8	74.5	0	0	0	110.9	S229 H236 V238 W261 L262 L267 E268 A269	S229-D265 WeakPolarHBondContact CB-OD1 3.06Å; S229-D265 WeakPolarHBondContact CB-OD2 3.45Å; S229-D265 PolarHBondContact OG-OD1 2.89Å; H236-D265 IonicContact CE1-OD1 2.8Å; H236-D265 IonicContact CE1-OD2 2.8Å; H236-D265 IonicContact NE2-OD1 3.05Å; H236-D265 IonicContact NE2-OD2 3.64Å; H236-D265 PolarHBondContact NE2-OD2 3.44Å; V238-D265 VanDerWaalsContact CG2-OD2 3.26Å; V238-D265 WeakPolarHBondContact CG2-OD2 3.46Å; W261-D265 HydrophobicContact CH2-CB 4.35Å; W261-D265 HydrophobicContact CZ2-CB 4.11Å; W261-D265 VanDerWaalsContact O-CB 3.31Å; W261-D265 WeakPolarHBondContact O-CB 3.15Å; W261-D265 PolarHBondContact O-N 3.24Å; L262-D265 PolarHBondContact O-N 3.04Å; D265-L267 PolarHBondContact O-N 3.07Å; D265-E268 WeakPolarHBondContact O-CB 3.44Å; D265-E268 PolarHBondContact O-N 3.2Å; D265-A269 WeakPolarHBondContact O-CB 3.4Å; D265-A269 PolarHBondContact O-N 3.12Å
266	L	98.4	Very high	97.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-35.9	174.2	-70.6	172	0	0	0	112.9	L262 Y263 N270 I281 L329 F330 Y333 V335	L262-L266 HydrophobicContact CD1-CD1 4.32Å; L262-L266 HydrophobicContact CD1-CG 4.38Å; L262-L266 HydrophobicContact CG-CD1 4.25Å; L262-L266 WeakPolarHBondContact O-CB 3.14Å; L262-L266 VanDerWaalsContact O-CG 3.27Å; L262-L266 WeakPolarHBondContact O-CG 3.32Å; L262-L266 PolarHBondContact O-N 2.57Å; Y263-L266 PolarHBondContact O-N 3.07Å; L266-N270 VanDerWaalsContact O-CB 3.31Å; L266-N270 WeakPolarHBondContact O-CB 3.3Å; L266-N270 PolarHBondContact O-N 3.01Å; L266-N270 VanDerWaalsContact O-N 3.11Å; L266-N270 PolarHBondContact O-ND2 3.3Å; L266-I281 HydrophobicContact CD2-CD1 4.32Å; L266-I281 HydrophobicContact CD2-CG2 3.97Å; L266-L329 HydrophobicContact CD1-CD1 4.31Å; L266-L329 HydrophobicContact CD1-CD2 3.98Å; L266-L329 HydrophobicContact CD1-CG 3.76Å; L266-F330 HydrophobicContact CD1-CD1 4.08Å; L266-F330 HydrophobicContact CD1-CE1 4.33Å; L266-Y333 HydrophobicContact CB-CD1 4.35Å; L266-Y333 HydrophobicContact CB-CD2 4.38Å; L266-Y333 HydrophobicContact CB-CG 3.95Å; L266-Y333 HydrophobicContact CD1-CD2 4.32Å; L266-Y333 HydrophobicContact CD1-CG 4.4Å; L266-V335 HydrophobicContact CD2-CG2 3.88Å
267	L	98.1	Very high	97.5	Very high	71 Å²	71	53.4 Å²	53.4	37%	0.372	26%	0.259	S	S	.	.	H	α-helix	trans	-62.6	-44.8	171.4	-78.8	177.3	0	0	0	111.6	Y263 K264 D265 N270 K271 Y333	Y263-L267 HydrophobicContact CD1-CD1 3.9Å; Y263-L267 HydrophobicContact CE1-CD1 3.26Å; Y263-L267 HydrophobicContact CE1-CG 4.11Å; Y263-L267 HydrophobicContact CE2-CD1 4.45Å; Y263-L267 WeakPolarHBondContact O-CG 3.16Å; Y263-L267 PolarHBondContact O-N 3.01Å; K264-L267 WeakPolarHBondContact O-CB 3.12Å; K264-L267 PolarHBondContact O-N 3.07Å; D265-L267 PolarHBondContact O-N 3.07Å; L267-N270 PolarHBondContact O-N 2.95Å; L267-K271 PolarHBondContact O-N 3.46Å; L267-Y333 HydrophobicContact CD2-CE1 3.55Å; L267-Y333 HydrophobicContact CG-CE1 4.19Å
268	E	97.9	Very high	97.5	Very high	85 Å²	85	50.6 Å²	50.6	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-50.6	177.6	-174.4	63.5	-144	0	0	111	K264 D265 N270 K271 N274	K264-E268 PolarHBondContact O-N 2.83Å; D265-E268 WeakPolarHBondContact O-CB 3.44Å; D265-E268 PolarHBondContact O-N 3.2Å; E268-N270 PolarHBondContact O-N 3.09Å; E268-K271 WeakPolarHBondContact O-CB 3.49Å; E268-K271 WeakPolarHBondContact O-CG 3.43Å; E268-K271 PolarHBondContact O-N 3.05Å; E268-K271 WeakPolarHBondContact OE1-CD 3.21Å; E268-K271 IonicContact OE1-NZ 3.47Å; E268-K271 PolarHBondContact OE1-NZ 2.92Å; E268-K271 WeakPolarHBondContact OE2-CE 3.48Å; E268-K271 IonicContact OE2-NZ 3.64Å; E268-K271 PolarHBondContact OE2-NZ 3.3Å; E268-N274 PolarHBondContact O-ND2 3.08Å; E268-N274 PolarHBondContact OE1-ND2 2.85Å
269	A	97.9	Very high	97.5	Very high	6 Å²	6	50.9 Å²	50.9	5%	0.05	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-30.5	-179.9	0	0	0	0	0	112.6	D265 R275 I281	D265-A269 WeakPolarHBondContact O-CB 3.4Å; D265-A269 PolarHBondContact O-N 3.12Å; A269-R275 PolarHBondContact O-N 2.98Å; A269-I281 HydrophobicContact CB-CD1 3.62Å; A269-I281 HydrophobicContact CB-CG1 4.37Å
270	N	98.3	Very high	97.6	Very high	22 Å²	22	50.2 Å²	50.2	12%	0.118	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.7	177.8	-79.6	-61.6	0	0	0	115.1	L266 L267 E268 R275 Y333 P446	L266-N270 VanDerWaalsContact O-CB 3.31Å; L266-N270 WeakPolarHBondContact O-CB 3.3Å; L266-N270 PolarHBondContact O-N 3.01Å; L266-N270 VanDerWaalsContact O-N 3.11Å; L266-N270 PolarHBondContact O-ND2 3.3Å; L267-N270 PolarHBondContact O-N 2.95Å; E268-N270 PolarHBondContact O-N 3.09Å; N270-R275 PolarHBondContact OD1-NH1 2.82Å; N270-Y333 PolarHBondContact ND2-O 2.78Å; N270-Y333 PolarHBondContact OD1-O 3.44Å; N270-P446 WeakPolarHBondContact OD1-CD 3.46Å
271	K	98.4	Very high	97.7	Very high	79 Å²	79	47.3 Å²	47.3	34%	0.343	23%	0.228	S	C	.	.	S	Bend	trans	-57.6	140.6	169	-70.1	-178.1	-178.1	168	0	110.2	L267 E268 E273 N274 R275	L267-K271 PolarHBondContact O-N 3.46Å; E268-K271 WeakPolarHBondContact O-CB 3.49Å; E268-K271 WeakPolarHBondContact O-CG 3.43Å; E268-K271 PolarHBondContact O-N 3.05Å; E268-K271 WeakPolarHBondContact OE1-CD 3.21Å; E268-K271 IonicContact OE1-NZ 3.47Å; E268-K271 PolarHBondContact OE1-NZ 2.92Å; E268-K271 WeakPolarHBondContact OE2-CE 3.48Å; E268-K271 IonicContact OE2-NZ 3.64Å; E268-K271 PolarHBondContact OE2-NZ 3.3Å; K271-E273 HydrophobicContact CB-CG 4.4Å; K271-E273 WeakPolarHBondContact CD-OE1 3.27Å; K271-E273 PolarHBondContact O-N 2.91Å; K271-E273 VanDerWaalsContact O-N 3.11Å; K271-N274 HydrophobicContact CB-CB 4.41Å; K271-N274 PolarHBondContact O-N 3.11Å; K271-R275 PolarHBondContact O-N 2.83Å
272	P	97.1	Very high	97.7	Very high	105 Å²	105	45 Å²	45	68%	0.682	22%	0.22	S	C	*	.	H	α-helix	trans	-52.2	-39.2	-174.7	-29.3	35.8	0	0	0	114.6	K276	P272-K276 WeakPolarHBondContact O-CB 3.22Å; P272-K276 PolarHBondContact O-N 3.38Å; P272-K276 VanDerWaalsContact O-N 3.09Å
273	E	96.7	Very high	97.8	Very high	107 Å²	107	45 Å²	45	50%	0.5	22%	0.22	S	C	.	.	H	α-helix	trans	-67.2	-37.4	177.2	59.7	-85.5	-156.9	0	0	113.3	K271 N277	K271-E273 HydrophobicContact CB-CG 4.4Å; K271-E273 WeakPolarHBondContact CD-OE1 3.27Å; K271-E273 PolarHBondContact O-N 2.91Å; K271-E273 VanDerWaalsContact O-N 3.11Å; E273-N277 PolarHBondContact O-ND2 2.93Å
274	N	97.3	Very high	97.8	Very high	41 Å²	41	43.3 Å²	43.3	22%	0.219	21%	0.213	C	C	.	.	H	α-helix	trans	-77.6	-50.3	-179.3	-70.5	-21.1	0	0	0	110.3	E268 K271 K276 N277 H278	E268-N274 PolarHBondContact O-ND2 3.08Å; E268-N274 PolarHBondContact OE1-ND2 2.85Å; K271-N274 HydrophobicContact CB-CB 4.41Å; K271-N274 PolarHBondContact O-N 3.11Å; N274-K276 PolarHBondContact O-N 3.11Å; N274-N277 PolarHBondContact O-N 3.43Å; N274-H278 PolarHBondContact O-N 3Å
275	R	96.4	Very high	97.9	Very high	16 Å²	16	38 Å²	38	6%	0.06	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-26.2	178.2	-155.7	76.3	-168.3	-136.9	7.5	112.6	A269 N270 K271 P279 Y333 G334 D336 H444	A269-R275 PolarHBondContact O-N 2.98Å; N270-R275 PolarHBondContact OD1-NH1 2.82Å; K271-R275 PolarHBondContact O-N 2.83Å; R275-P279 PolarHBondContact NE-O 3.07Å; R275-P279 PolarHBondContact NH2-O 2.73Å; R275-P279 WeakPolarHBondContact O-CA 3.37Å; R275-P279 WeakPolarHBondContact O-CB 3.43Å; R275-Y333 PolarHBondContact NH1-O 3.4Å; R275-G334 PolarHBondContact NH1-O 3.25Å; R275-G334 VanDerWaalsContact NH1-O 3.12Å; R275-G334 PolarHBondContact NH2-O 2.83Å; R275-D336 IonicContact NH2-OD1 3.23Å; R275-D336 IonicContact NH2-OD2 3.74Å; R275-D336 PolarHBondContact NH2-OD2 2.96Å; R275-H444 HydrophobicContact CG-CB 4.14Å
276	K	96.3	Very high	97.9	Very high	157 Å²	157	37.1 Å²	37.1	68%	0.683	19%	0.186	S	C	*	.	H	α-helix	trans	-66	-39.1	171.4	178.4	-179.6	176.2	-175.9	0	112.5	P272 N274	P272-K276 WeakPolarHBondContact O-CB 3.22Å; P272-K276 PolarHBondContact O-N 3.38Å; P272-K276 VanDerWaalsContact O-N 3.09Å; N274-K276 PolarHBondContact O-N 3.11Å
277	N	96.1	Very high	97.8	Very high	55 Å²	55	38.1 Å²	38.1	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-85	-41.3	-179.8	-70.5	-29.8	0	0	0	111.6	P126 E273 N274 P279	P126-N277 HydrophobicContact CB-CB 4.18Å; P126-N277 WeakPolarHBondContact CB-O 3.19Å; P126-N277 HydrophobicContact CG-CB 4.01Å; E273-N277 PolarHBondContact O-ND2 2.93Å; N274-N277 PolarHBondContact O-N 3.43Å; N277-P279 VanDerWaalsContact O-CD 3.31Å; N277-P279 WeakPolarHBondContact O-CD 3.35Å
278	H	97.5	Very high	97.8	Very high	28 Å²	28	34.9 Å²	34.9	13%	0.13	17%	0.172	C	C	.	.			trans	-123.8	69.2	-176	-53.4	-64.6	0	0	0	110	G233 P234 H236 N274 W280	G233-H278 PolarHBondContact O-CE1 3.13Å; G233-H278 PolarHBondContact O-ND1 3.08Å; P234-H278 CarbonylContact O-C 3.14Å; P234-H278 VanDerWaalsContact O-C 3.28Å; P234-H278 WeakPolarHBondContact O-CA 3.37Å; H236-H278 HydrophobicContact CB-CB 4.18Å; N274-H278 PolarHBondContact O-N 3Å; H278-W280 VanDerWaalsContact C-N 3.29Å; H278-W280 PolarHBondContact O-N 3.23Å
279	P	98.2	Very high	97.7	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.039	16%	0.155	C	C	.	.			trans	-64.6	-30	-175.6	22.9	-34.5	0	0	0	114.1	P234 R275 N277 V415 H444	P234-P279 HydrophobicContact CB-CG 4.25Å; P234-P279 WeakPolarHBondContact O-CD 3.41Å; R275-P279 PolarHBondContact NE-O 3.07Å; R275-P279 PolarHBondContact NH2-O 2.73Å; R275-P279 WeakPolarHBondContact O-CA 3.37Å; R275-P279 WeakPolarHBondContact O-CB 3.43Å; N277-P279 VanDerWaalsContact O-CD 3.31Å; N277-P279 WeakPolarHBondContact O-CD 3.35Å; P279-V415 HydrophobicContact CG-CB 3.7Å; P279-V415 HydrophobicContact CG-CG1 3.8Å; P279-H444 HydrophobicContact CB-CB 4.15Å; P279-H444 VanDerWaalsContact CB-CD2 3.43Å; P279-H444 WeakPolarHBondContact CB-CD2 3.22Å; P279-H444 PolarHBondContact O-ND1 2.75Å; P279-H444 VanDerWaalsContact O-ND1 3.16Å
280	W	98.7	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.6	177.6	-64.8	108.5	0	0	0	110.3	P234 A235 H236 H278 I282 D336 I412 N414 T416 L418 I439 K441 H444	P234-W280 PolarHBondContact O-N 2.75Å; A235-W280 CarbonylContact C-O 3.54Å; A235-W280 VanDerWaalsContact CA-O 3.27Å; A235-W280 WeakPolarHBondContact CA-O 3.29Å; A235-W280 HydrophobicContact CB-CB 3.96Å; H236-W280 PolarHBondContact N-O 3.09Å; H278-W280 VanDerWaalsContact C-N 3.29Å; H278-W280 PolarHBondContact O-N 3.23Å; W280-I282 HydrophobicContact CB-CG1 4.43Å; W280-D336 WeakPolarHBondContact CA-OD2 3.44Å; W280-D336 HydrophobicContact CE3-CB 3.6Å; W280-D336 HydrophobicContact CZ3-CB 3.88Å; W280-I412 HydrophobicContact CG-CG2 4.32Å; W280-N414 PolarHBondContact NE1-O 3.18Å; W280-T416 VanDerWaalsContact CZ2-C 3.46Å; W280-T416 WeakPolarHBondContact CZ2-O 3.25Å; W280-L418 HydrophobicContact CD2-CB 4.22Å; W280-L418 HydrophobicContact CD2-CD2 4.4Å; W280-L418 HydrophobicContact CE3-CB 4.32Å; W280-L418 HydrophobicContact CE3-CD2 4.11Å; W280-L418 HydrophobicContact CH2-CB 3.85Å; W280-L418 HydrophobicContact CZ2-CB 3.7Å; W280-L418 HydrophobicContact CZ3-CB 4.15Å; W280-L418 HydrophobicContact CZ3-CD2 4.36Å; W280-I439 HydrophobicContact CH2-CB 4.23Å; W280-I439 HydrophobicContact CH2-CG2 3.93Å; W280-I439 WeakPolarHBondContact CH2-O 3.44Å; W280-I439 HydrophobicContact CZ3-CB 4.35Å; W280-I439 HydrophobicContact CZ3-CG2 3.84Å; W280-K441 HydrophobicContact CH2-CB 4.07Å; W280-K441 HydrophobicContact CH2-CD 4.41Å; W280-K441 HydrophobicContact CH2-CG 4.12Å; W280-K441 HydrophobicContact CZ3-CB 4.41Å; W280-K441 HydrophobicContact CZ3-CD 3.95Å; W280-K441 HydrophobicContact CZ3-CG 4.15Å; W280-H444 AromaticContact CD2-CE1 3.79Å; W280-H444 AromaticContact CE2-CE1 3.95Å; W280-H444 AromaticContact CE3-CE1 3.67Å; W280-H444 AromaticContact CH2-CE1 3.92Å; W280-H444 AromaticContact CZ3-CE1 3.74Å
281	I	98.8	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116	164.1	-61.8	-173.1	0	0	0	108.1	H236 L266 A269 V335 D336	H236-I281 HydrophobicContact CB-CG1 4.45Å; H236-I281 WeakPolarHBondContact O-CA 3.47Å; L266-I281 HydrophobicContact CD2-CD1 4.32Å; L266-I281 HydrophobicContact CD2-CG2 3.97Å; A269-I281 HydrophobicContact CB-CD1 3.62Å; A269-I281 HydrophobicContact CB-CG1 4.37Å; I281-V335 HydrophobicContact CG2-CB 4.45Å; I281-V335 HydrophobicContact CG2-CG1 4.49Å; I281-V335 HydrophobicContact CG2-CG2 3.88Å; I281-D336 PolarHBondContact N-OD2 3Å; I281-D336 PolarHBondContact O-N 3.38Å
282	I	98.9	Very high	97.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.2	-179.4	-56.2	171.4	0	0	0	108.1	A235 H236 I237 V238 W280 L337 I339 M410 I412 L418	A235-I282 HydrophobicContact CB-CD1 4.09Å; H236-I282 PolarHBondContact O-N 2.73Å; I237-I282 CarbonylContact C-O 3.55Å; I237-I282 VanDerWaalsContact CA-O 3.29Å; I237-I282 WeakPolarHBondContact CA-O 3.49Å; I237-I282 HydrophobicContact CG1-CB 4.33Å; V238-I282 PolarHBondContact N-O 3.38Å; W280-I282 HydrophobicContact CB-CG1 4.43Å; I282-L337 CarbonylContact C-O 3.54Å; I282-L337 WeakPolarHBondContact CA-O 3.38Å; I282-L337 HydrophobicContact CG1-CB 4.36Å; I282-L337 HydrophobicContact CG2-CB 4.28Å; I282-L337 HydrophobicContact CG2-CD2 4.28Å; I282-L337 HydrophobicContact CG2-CG 4.35Å; I282-I339 HydrophobicContact CG2-CD1 4.09Å; I282-I339 HydrophobicContact CG2-CG1 4.41Å; I282-M410 HydrophobicContact CD1-CE 3.97Å; I282-M410 HydrophobicContact CD1-SD 3.88Å; I282-I412 HydrophobicContact CD1-CD1 4.28Å; I282-I412 HydrophobicContact CD1-CG1 4.5Å; I282-L418 HydrophobicContact CD1-CD1 4.48Å; I282-L418 HydrophobicContact CD1-CD2 4.08Å; I282-L418 HydrophobicContact CG1-CD2 4.45Å
283	V	98.8	Very high	97.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.7	179.2	179.5	0	0	0	0	109.7	V238 F240 F330 V335 L337 I338 I339	V238-V283 HydrophobicContact CB-CG2 4.19Å; V238-V283 CarbonylContact O-C 3.59Å; V238-V283 VanDerWaalsContact O-CA 3.32Å; V238-V283 WeakPolarHBondContact O-CA 3.49Å; F240-V283 HydrophobicContact CD1-CG1 3.35Å; F240-V283 HydrophobicContact CE1-CG1 3.52Å; V283-F330 HydrophobicContact CB-CZ 4.46Å; V283-F330 HydrophobicContact CG1-CE1 4.26Å; V283-F330 HydrophobicContact CG1-CE2 4.04Å; V283-F330 HydrophobicContact CG1-CZ 3.68Å; V283-F330 HydrophobicContact CG2-CD1 4.33Å; V283-F330 HydrophobicContact CG2-CE1 4.03Å; V283-F330 HydrophobicContact CG2-CZ 4.24Å; V283-V335 HydrophobicContact CB-CG1 4.19Å; V283-V335 HydrophobicContact CG2-CB 4.42Å; V283-V335 HydrophobicContact CG2-CG1 3.52Å; V283-V335 HydrophobicContact CG2-CG2 3.97Å; V283-L337 PolarHBondContact N-O 3.43Å; V283-I338 HydrophobicContact CB-CG1 4.29Å; V283-I338 CarbonylContact O-C 3.52Å; V283-I338 WeakPolarHBondContact O-CA 3.46Å; V283-I339 PolarHBondContact O-N 2.78Å
284	I	98.7	Very high	96.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.7	170.2	70.2	175.6	0	0	0	110.2	L163 V165 C199 V238 A239 F240 I339	L163-I284 HydrophobicContact CB-CD1 4.34Å; L163-I284 HydrophobicContact CD1-CG2 3.96Å; L163-I284 HydrophobicContact CD2-CD1 4.49Å; V165-I284 HydrophobicContact CG1-CB 4.43Å; V165-I284 HydrophobicContact CG2-CB 4.48Å; C199-I284 HydrophobicContact CB-CD1 4.42Å; C199-I284 HydrophobicContact CB-CG1 4.32Å; V238-I284 PolarHBondContact O-N 3.1Å; A239-I284 WeakPolarHBondContact CA-O 3.38Å; A239-I284 HydrophobicContact CB-CD1 4.03Å; A239-I284 HydrophobicContact CB-CG1 3.74Å; F240-I284 WeakPolarHBondContact CD1-O 3.25Å; F240-I284 PolarHBondContact N-O 3.41Å; I284-I339 WeakPolarHBondContact CA-O 3.39Å; I284-I339 HydrophobicContact CG2-CB 4.13Å; I284-I339 HydrophobicContact CG2-CD1 4.35Å; I284-I339 HydrophobicContact CG2-CG1 4.5Å
285	G	98.5	Very high	96	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	11%	0.112	C	C	.	.			trans	-163	158.8	172	0	0	0	0	0	109.2	V165 I339 A340	V165-G285 WeakPolarHBondContact CG1-O 3.44Å; G285-I339 PolarHBondContact N-O 2.79Å; G285-I339 VanDerWaalsContact N-O 3.14Å; G285-A340 VanDerWaalsContact O-CA 3.23Å; G285-A340 WeakPolarHBondContact O-CA 3.42Å
286	H	98.5	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-75	-59.6	-167.2	179.3	65.8	0	0	0	113.8	D137 V165 D167 V200 G201 N202 S242 E243 G341 H342	D137-H286 IonicContact OD1-CE1 3.59Å; D137-H286 PolarHBondContact OD1-CE1 2.92Å; V165-H286 PolarHBondContact O-ND1 3.14Å; D167-H286 IonicContact OD1-CD2 3.58Å; D167-H286 IonicContact OD1-CE1 2.71Å; D167-H286 IonicContact OD1-NE2 2.61Å; D167-H286 PolarHBondContact OD1-NE2 3.5Å; D167-H286 IonicContact OD2-CE1 3.84Å; D167-H286 PolarHBondContact OD2-CE1 2.85Å; D167-H286 IonicContact OD2-NE2 2.66Å; D167-H286 PolarHBondContact OD2-NE2 3.04Å; V200-H286 VanDerWaalsContact O-CB 3.29Å; V200-H286 WeakPolarHBondContact O-CB 3.36Å; G201-H286 WeakPolarHBondContact CA-CD2 3.42Å; N202-H286 PolarHBondContact OD1-CD2 2.92Å; N202-H286 PolarHBondContact OD1-NE2 2.84Å; N202-H286 VanDerWaalsContact OD1-NE2 3.11Å; S242-H286 PolarHBondContact OG-N 2.8Å; E243-H286 IonicContact OE1-CD2 2.79Å; H286-G341 CarbonylContact O-C 3.57Å; H286-G341 PolarHBondContact O-N 3.27Å; H286-H342 AromaticContact CD2-ND1 3.86Å; H286-H342 WeakPolarHBondContact CE1-CA 3.48Å; H286-H342 PolarHBondContact CE1-N 3.04Å; H286-H342 VanDerWaalsContact CE1-N 3.28Å; H286-H342 WeakPolarHBondContact NE2-CB 3.49Å; H286-H342 AromaticContact NE2-CG 3.63Å; H286-H342 AromaticContact NE2-ND1 3.13Å; H286-H342 PolarHBondContact NE2-ND1 3.01Å; H286-H342 VanDerWaalsContact NE2-ND1 3.13Å
287	R	97.6	Very high	94.6	Very high	22 Å²	22	21.2 Å²	21.2	8%	0.083	11%	0.108	C	C	.	.	S	Bend	trans	-77.7	131.9	-176.6	-63.3	169.9	177.1	-72.4	0.1	112	N202 S242 E243 Y246 H299 H342	N202-R287 VanDerWaalsContact CG-NH2 3.26Å; N202-R287 PolarHBondContact OD1-NH2 2.8Å; N202-R287 VanDerWaalsContact OD1-NH2 3.14Å; S242-R287 PolarHBondContact OG-N 3.46Å; E243-R287 WeakPolarHBondContact OE1-CD 3.3Å; E243-R287 WeakPolarHBondContact OE1-CG 3.07Å; E243-R287 IonicContact OE1-NE 3.15Å; E243-R287 PolarHBondContact OE1-NE 3.25Å; E243-R287 IonicContact OE2-CZ 3.46Å; E243-R287 IonicContact OE2-NE 2.65Å; E243-R287 PolarHBondContact OE2-NE 3.36Å; E243-R287 IonicContact OE2-NH2 3.3Å; Y246-R287 VanDerWaalsContact CD2-CD 3.48Å; Y246-R287 HydrophobicContact CE2-CG 4.48Å; R287-H299 PolarHBondContact NH1-CE1 3.37Å; R287-H299 PolarHBondContact NH1-NE2 3.43Å; R287-H342 HydrophobicContact CG-CB 4.45Å; R287-H342 PolarHBondContact NH1-CE1 3.46Å; R287-H342 PolarHBondContact NH1-NE2 3.47Å
288	P	97.2	Very high	94	Very high	2 Å²	2	23 Å²	23	1%	0.013	12%	0.116	C	C	.	.			trans	-73.1	150.5	-178	27.8	-34.6	0	0	0	113.3	Y290 C291 N305 A340 E343 V377	P288-Y290 WeakPolarHBondContact CB-O 3.33Å; P288-C291 HydrophobicContact CB-CB 4.48Å; P288-C291 HydrophobicContact CG-CB 4.11Å; P288-N305 PolarHBondContact O-ND2 2.73Å; P288-A340 HydrophobicContact CB-CB 3.74Å; P288-E343 HydrophobicContact CG-CG 3.84Å; P288-V377 HydrophobicContact CB-CG2 3.85Å; P288-V377 HydrophobicContact CG-CG2 4.39Å
289	M	96.4	Very high	93.5	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.039	11%	0.111	C	C	.	.	S	Bend	trans	-82.9	-21.8	166.1	-74.2	-170.6	-84.5	0	0	112.7	V307 R308 L326 E327 F330 I338	M289-V307 HydrophobicContact CG-CB 4.33Å; M289-V307 HydrophobicContact CG-CG1 3.96Å; M289-R308 HydrophobicContact CB-CB 3.89Å; M289-R308 HydrophobicContact CB-CG 3.95Å; M289-R308 HydrophobicContact CG-CB 3.75Å; M289-R308 HydrophobicContact CG-CG 4.11Å; M289-R308 WeakPolarHBondContact O-CD 3.02Å; M289-R308 PolarHBondContact O-NE 3.19Å; M289-R308 HydrophobicContact SD-CB 4.01Å; M289-R308 HydrophobicContact SD-CG 3.96Å; M289-L326 HydrophobicContact SD-CB 4.47Å; M289-E327 HydrophobicContact SD-CB 4.09Å; M289-F330 HydrophobicContact CE-CD2 3.68Å; M289-F330 HydrophobicContact CE-CE2 3.79Å; M289-I338 HydrophobicContact CE-CD1 3.91Å; M289-I338 HydrophobicContact CE-CG2 3.79Å
290	Y	96	Very high	93.1	Very high	6 Å²	6	21.9 Å²	21.9	2%	0.024	11%	0.111	C	C	.	.	S	Bend	trans	-140.8	132.7	179.2	-68	-71.8	0	0	0	109.8	P288 R308 E327 F349 V352 N354 R355 H375 W397	P288-Y290 WeakPolarHBondContact CB-O 3.33Å; Y290-R308 VanDerWaalsContact CZ-CD 3.42Å; Y290-E327 WeakPolarHBondContact CE2-OE1 3.31Å; Y290-E327 PolarHBondContact OH-OE1 2.8Å; Y290-F349 VanDerWaalsContact CB-CE1 3.44Å; Y290-F349 WeakPolarHBondContact O-CZ 3.42Å; Y290-V352 HydrophobicContact CD1-CG2 4.47Å; Y290-V352 HydrophobicContact CD2-CG1 3.68Å; Y290-V352 HydrophobicContact CE1-CG2 3.85Å; Y290-V352 HydrophobicContact CE2-CB 4.44Å; Y290-V352 HydrophobicContact CE2-CG1 3.55Å; Y290-V352 HydrophobicContact CE2-CG2 4.13Å; Y290-V352 HydrophobicContact CG-CG1 4.23Å; Y290-N354 PolarHBondContact OH-N 3.13Å; Y290-R355 HydrophobicContact CE1-CG 4.09Å; Y290-R355 PolarHBondContact OH-N 3.12Å; Y290-H375 AromaticContact CD2-CD2 3.98Å; Y290-H375 AromaticContact CD2-CE1 3.78Å; Y290-H375 AromaticContact CD2-CG 3.97Å; Y290-H375 AromaticContact CD2-ND1 3.86Å; Y290-H375 AromaticContact CD2-NE2 3.86Å; Y290-H375 AromaticContact CE2-CE1 4Å; Y290-H375 AromaticContact CE2-NE2 3.81Å; Y290-W397 HydrophobicContact CD1-CD2 4.1Å; Y290-W397 AromaticContact CD1-CE2 3.76Å; Y290-W397 HydrophobicContact CD1-CG 4.34Å; Y290-W397 HydrophobicContact CD1-CZ2 4.19Å; Y290-W397 AromaticContact CD1-NE1 3.82Å; Y290-W397 HydrophobicContact CE1-CD2 4.4Å
291	C	95.6	Very high	92.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.			trans	-156.8	168.6	169.8	49.7	0	0	0	0	109.9	P288 C300 E343 E347	P288-C291 HydrophobicContact CB-CB 4.48Å; P288-C291 HydrophobicContact CG-CB 4.11Å; C291-C300 HydrophobicContact CB-CB 4.04Å; C291-C300 WeakPolarHBondContact CB-SG 3.28Å; C291-C300 WeakPolarHBondContact SG-CA 3.38Å; C291-C300 WeakPolarHBondContact SG-CB 3.45Å; C291-C300 PolarHBondContact SG-N 3Å; C291-C300 VanDerWaalsContact SG-N 3.37Å; C291-C300 CovalentContact SG-SG 2.03Å; C291-C300 PolarHBondContact SG-SG 3.28Å; C291-E343 HydrophobicContact CB-CG 3.95Å; C291-E347 WeakPolarHBondContact CA-OE2 3.4Å
292	S	94.3	Very high	91.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.152	C	C	.	.			trans	-129.6	18.9	176.1	69.8	0	0	0	0	113.9	E347 F390 I391	S292-E347 WeakPolarHBondContact CB-OE1 3.46Å; S292-E347 PolarHBondContact N-OE2 3.36Å; S292-E347 VanDerWaalsContact OG-CD 3.23Å; S292-E347 PolarHBondContact OG-OE1 3.37Å; S292-E347 PolarHBondContact OG-OE2 3.05Å; S292-F390 WeakPolarHBondContact O-CA 3.24Å; S292-F390 WeakPolarHBondContact OG-CD1 3.02Å; S292-I391 WeakPolarHBondContact O-CG1 3.38Å; S292-I391 PolarHBondContact O-N 2.89Å
293	N	94.5	Very high	91.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-66.5	150.2	174.5	-58.5	76.1	0	0	0	110.9	E343 S345 D388 T389	N293-E343 WeakPolarHBondContact CB-OE2 3.42Å; N293-E343 VanDerWaalsContact CG-OE2 3.22Å; N293-S345 PolarHBondContact ND2-OG 2.87Å; N293-D388 HydrophobicContact CB-CB 4.26Å; N293-D388 VanDerWaalsContact ND2-CB 3.27Å; N293-D388 WeakPolarHBondContact ND2-CB 3.46Å; N293-T389 CarbonylContact C-O 3.54Å; N293-T389 VanDerWaalsContact CA-O 3.26Å; N293-T389 WeakPolarHBondContact CA-O 3.37Å
294	N	88.3	Confident	90.5	Very high	56 Å²	56	37.1 Å²	37.1	30%	0.299	18%	0.184	S	C	.	.	S	Bend	trans	-97.3	-10.4	-172.3	65.1	-17.4	0	0	0	114.8	T389 I391	N294-T389 PolarHBondContact N-O 3.05Å; N294-T389 PolarHBondContact ND2-OG1 2.91Å; N294-T389 VanDerWaalsContact OD1-C 3.32Å; N294-T389 PolarHBondContact OD1-O 2.95Å; N294-T389 PolarHBondContact OD1-OG1 2.76Å; N294-I391 HydrophobicContact CB-CG2 3.69Å
295	F	81.7	Confident	90.2	Very high	154 Å²	154	37.2 Å²	37.2	68%	0.675	18%	0.184	S	C	*	.	S	Bend	trans	-107.7	8.1	-178.6	-67.4	-65.6	0	0	0	113.9	T389	F295-T389 VanDerWaalsContact CE2-OG1 3.32Å; F295-T389 WeakPolarHBondContact CE2-OG1 3.25Å
296	D	83.3	Confident	90	Very high	28 Å²	28	39.1 Å²	39.1	15%	0.15	19%	0.193	C	C	.	.			trans	-130.1	77.5	171.8	-160	-37.2	0	0	0	112.7	M298 H299 C300 H342 E343	D296-M298 PolarHBondContact O-N 3.21Å; D296-M298 WeakPolarHBondContact OD1-CB 3.45Å; D296-M298 PolarHBondContact OD1-N 3.35Å; D296-M298 VanDerWaalsContact OD1-N 3.08Å; D296-H299 PolarHBondContact O-N 2.63Å; D296-H299 IonicContact OD1-CE1 3.95Å; D296-H299 IonicContact OD1-CG 2.86Å; D296-H299 PolarHBondContact OD1-N 2.92Å; D296-H299 IonicContact OD1-ND1 3.78Å; D296-H299 PolarHBondContact OD1-ND1 3.14Å; D296-H299 IonicContact OD2-CE1 3.4Å; D296-H299 PolarHBondContact OD2-CE1 3.14Å; D296-H299 IonicContact OD2-CG 2.69Å; D296-H299 IonicContact OD2-ND1 3.43Å; D296-H299 PolarHBondContact OD2-ND1 2.64Å; D296-C300 WeakPolarHBondContact O-CB 3.2Å; D296-C300 PolarHBondContact O-N 2.92Å; D296-H342 IonicContact OD2-CD2 3.25Å; D296-H342 IonicContact OD2-NE2 2.84Å; D296-H342 PolarHBondContact OD2-NE2 3.18Å; D296-E343 VanDerWaalsContact CB-OE1 3.29Å; D296-E343 WeakPolarHBondContact CB-OE1 3.24Å
297	P	78.9	Confident	89.9	Confident	79 Å²	79	39.1 Å²	39.1	51%	0.513	19%	0.193	S	C	.	.	I	π-helix	trans	-66.8	-19.9	177.9	27.7	-34.5	0	0	0	112.7	D301 F302	P297-D301 HydrophobicContact CB-CB 4.19Å; P297-D301 WeakPolarHBondContact O-CB 3.09Å; P297-D301 PolarHBondContact O-N 2.82Å; P297-F302 PolarHBondContact O-N 2.88Å
298	M	83.8	Confident	89.8	Confident	94 Å²	94	38.3 Å²	38.3	46%	0.463	19%	0.191	S	C	.	.	I	π-helix	trans	-71.8	-40.1	-178.7	-174.5	170.6	69.3	0	0	111.2	Y246 D296 F302	Y246-M298 HydrophobicContact CD1-CE 4.16Å; Y246-M298 HydrophobicContact CE1-CE 3.73Å; Y246-M298 HydrophobicContact CE1-SD 4.13Å; D296-M298 PolarHBondContact O-N 3.21Å; D296-M298 WeakPolarHBondContact OD1-CB 3.45Å; D296-M298 PolarHBondContact OD1-N 3.35Å; D296-M298 VanDerWaalsContact OD1-N 3.08Å; M298-F302 VanDerWaalsContact O-CB 3.24Å; M298-F302 WeakPolarHBondContact O-CB 3.33Å
299	H	87.3	Confident	89.7	Confident	3 Å²	3	39.3 Å²	39.3	1%	0.014	20%	0.197	C	C	.	.	I	π-helix	trans	-92.9	-41.1	179.6	-56.6	97.6	0	0	0	112.9	Y246 R287 D296 N305 H342	Y246-H299 AromaticContact CE1-NE2 3.81Å; Y246-H299 AromaticContact CZ-CD2 3.96Å; Y246-H299 AromaticContact CZ-NE2 3.43Å; Y246-H299 PolarHBondContact OH-CD2 2.8Å; Y246-H299 PolarHBondContact OH-NE2 3.13Å; Y246-H299 VanDerWaalsContact OH-NE2 3.1Å; R287-H299 PolarHBondContact NH1-CE1 3.37Å; R287-H299 PolarHBondContact NH1-NE2 3.43Å; D296-H299 PolarHBondContact O-N 2.63Å; D296-H299 IonicContact OD1-CE1 3.95Å; D296-H299 IonicContact OD1-CG 2.86Å; D296-H299 PolarHBondContact OD1-N 2.92Å; D296-H299 IonicContact OD1-ND1 3.78Å; D296-H299 PolarHBondContact OD1-ND1 3.14Å; D296-H299 IonicContact OD2-CE1 3.4Å; D296-H299 PolarHBondContact OD2-CE1 3.14Å; D296-H299 IonicContact OD2-CG 2.69Å; D296-H299 IonicContact OD2-ND1 3.43Å; D296-H299 PolarHBondContact OD2-ND1 2.64Å; H299-N305 PolarHBondContact O-ND2 3.35Å; H299-N305 VanDerWaalsContact O-ND2 3.08Å; H299-H342 AromaticContact CE1-CD2 4Å; H299-H342 AromaticContact CE1-NE2 3.47Å; H299-H342 PolarHBondContact CE1-NE2 3.03Å; H299-H342 AromaticContact ND1-CD2 3.81Å; H299-H342 AromaticContact ND1-NE2 3.56Å
300	C	89.3	Confident	89.6	Confident	7 Å²	7	39.1 Å²	39.1	5%	0.047	20%	0.197	C	C	.	.	I	π-helix	trans	-92.3	-30.8	-170	-52.7	0	0	0	0	114.3	C291 D296 E343 K395	C291-C300 HydrophobicContact CB-CB 4.04Å; C291-C300 WeakPolarHBondContact CB-SG 3.28Å; C291-C300 WeakPolarHBondContact SG-CA 3.38Å; C291-C300 WeakPolarHBondContact SG-CB 3.45Å; C291-C300 PolarHBondContact SG-N 3Å; C291-C300 VanDerWaalsContact SG-N 3.37Å; C291-C300 CovalentContact SG-SG 2.03Å; C291-C300 PolarHBondContact SG-SG 3.28Å; D296-C300 WeakPolarHBondContact O-CB 3.2Å; D296-C300 PolarHBondContact O-N 2.92Å; C300-E343 PolarHBondContact SG-OE1 2.99Å; C300-E343 VanDerWaalsContact SG-OE1 3.39Å; C300-K395 WeakPolarHBondContact O-CE 3.39Å
301	D	84.5	Confident	89.4	Confident	62 Å²	62	40.1 Å²	40.1	33%	0.332	20%	0.201	S	C	.	.	I	π-helix	trans	-105.3	-28	-174.7	-69.8	-29.9	0	0	0	113.6	P297 E303 K395	P297-D301 HydrophobicContact CB-CB 4.19Å; P297-D301 WeakPolarHBondContact O-CB 3.09Å; P297-D301 PolarHBondContact O-N 2.82Å; D301-E303 PolarHBondContact O-N 2.67Å; D301-K395 VanDerWaalsContact OD1-CE 3.23Å; D301-K395 WeakPolarHBondContact OD1-CE 3.34Å; D301-K395 IonicContact OD1-NZ 2.97Å; D301-K395 PolarHBondContact OD1-NZ 2.8Å
302	F	86.3	Confident	89.2	Confident	119 Å²	119	44.4 Å²	44.4	52%	0.522	22%	0.224	S	C	.	.			trans	-68.5	118.8	-175.9	-163.3	-127.6	0	0	0	111.6	P297 M298 N304 N305	P297-F302 PolarHBondContact O-N 2.88Å; M298-F302 VanDerWaalsContact O-CB 3.24Å; M298-F302 WeakPolarHBondContact O-CB 3.33Å; F302-N304 HydrophobicContact CD1-CB 4.21Å; F302-N304 WeakPolarHBondContact CD1-O 3.37Å; F302-N304 HydrophobicContact CE1-CB 3.71Å; F302-N304 WeakPolarHBondContact CE1-O 3.12Å; F302-N304 HydrophobicContact CZ-CB 4.14Å; F302-N304 PolarHBondContact O-N 3.5Å; F302-N305 PolarHBondContact O-N 3.15Å
303	E	85.1	Confident	88.9	Confident	104 Å²	104	48 Å²	48	49%	0.486	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.1	-179.8	175.4	165.4	-130.3	0	0	112.7	D301 R308 R355	D301-E303 PolarHBondContact O-N 2.67Å; E303-R308 PolarHBondContact O-NH2 2.98Å; E303-R355 IonicContact OE1-NH1 3.49Å; E303-R355 PolarHBondContact OE1-NH1 3.49Å
304	N	85.5	Confident	88.5	Confident	35 Å²	35	49.4 Å²	49.4	19%	0.187	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	50.3	177.2	-58.7	-29.2	0	0	0	110.9	F302 I306 T309 Y322	F302-N304 HydrophobicContact CD1-CB 4.21Å; F302-N304 WeakPolarHBondContact CD1-O 3.37Å; F302-N304 HydrophobicContact CE1-CB 3.71Å; F302-N304 WeakPolarHBondContact CE1-O 3.12Å; F302-N304 HydrophobicContact CZ-CB 4.14Å; F302-N304 PolarHBondContact O-N 3.5Å; N304-I306 PolarHBondContact O-N 3.23Å; N304-I306 VanDerWaalsContact O-N 3.11Å; N304-T309 VanDerWaalsContact CA-OG1 3.31Å; N304-T309 WeakPolarHBondContact CA-OG1 3.29Å; N304-T309 PolarHBondContact O-OG1 2.91Å; N304-Y322 HydrophobicContact CB-CE1 4.32Å; N304-Y322 PolarHBondContact ND2-OH 3.37Å; N304-Y322 PolarHBondContact OD1-OH 3.38Å; N304-Y322 VanDerWaalsContact OD1-OH 3.11Å
305	N	92.7	Very high	88	Confident	1 Å²	1	52 Å²	52	1%	0.005	27%	0.272	C	S	.	.			trans	-43.5	123.2	168.4	174.6	-51.1	0	0	0	108.9	P288 H299 F302 V307 R308 T309	P288-N305 PolarHBondContact O-ND2 2.73Å; H299-N305 PolarHBondContact O-ND2 3.35Å; H299-N305 VanDerWaalsContact O-ND2 3.08Å; F302-N305 PolarHBondContact O-N 3.15Å; N305-V307 VanDerWaalsContact C-N 3.33Å; N305-V307 PolarHBondContact O-N 3.39Å; N305-V307 PolarHBondContact OD1-N 2.82Å; N305-V307 VanDerWaalsContact OD1-N 3.12Å; N305-R308 HydrophobicContact CB-CB 4Å; N305-R308 PolarHBondContact O-N 2.85Å; N305-R308 VanDerWaalsContact O-N 3.12Å; N305-R308 PolarHBondContact OD1-N 3.42Å; N305-T309 PolarHBondContact O-N 3.06Å; N305-T309 PolarHBondContact O-OG1 2.75Å
306	I	94.2	Very high	87.9	Confident	41 Å²	41	48.5 Å²	48.5	21%	0.21	26%	0.261	C	S	.	.	H	α-helix	trans	-70.5	-29.4	-165	-163.9	171.2	0	0	0	112.8	Y245 Y246 N304 G310 F311	Y245-I306 HydrophobicContact CD1-CG1 4.4Å; Y246-I306 HydrophobicContact CD1-CG2 4.37Å; Y246-I306 HydrophobicContact CD2-CG2 4.47Å; Y246-I306 HydrophobicContact CE1-CG2 3.63Å; Y246-I306 HydrophobicContact CE2-CG2 3.75Å; Y246-I306 VanDerWaalsContact OH-CG2 3.31Å; Y246-I306 WeakPolarHBondContact OH-CG2 3.4Å; N304-I306 PolarHBondContact O-N 3.23Å; N304-I306 VanDerWaalsContact O-N 3.11Å; I306-G310 WeakPolarHBondContact O-CA 3.49Å; I306-G310 PolarHBondContact O-N 3.46Å; I306-F311 HydrophobicContact CD1-CD1 3.73Å; I306-F311 HydrophobicContact CD1-CE1 3.29Å; I306-F311 HydrophobicContact CD1-CZ 3.78Å; I306-F311 HydrophobicContact CG1-CD1 4.25Å; I306-F311 HydrophobicContact CG1-CE1 4.03Å; I306-F311 HydrophobicContact CG1-CZ 4.2Å
307	V	96	Very high	87.4	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-69.3	-41.8	173.1	-179.1	0	0	0	0	109.5	F240 Y245 Y246 M289 N305 L326	F240-V307 HydrophobicContact CE2-CG1 3.87Å; F240-V307 HydrophobicContact CZ-CG1 4.15Å; Y245-V307 HydrophobicContact CD2-CG2 4.34Å; Y245-V307 HydrophobicContact CG-CG2 4.36Å; Y246-V307 HydrophobicContact CE2-CG2 3.72Å; M289-V307 HydrophobicContact CG-CB 4.33Å; M289-V307 HydrophobicContact CG-CG1 3.96Å; N305-V307 VanDerWaalsContact C-N 3.33Å; N305-V307 PolarHBondContact O-N 3.39Å; N305-V307 PolarHBondContact OD1-N 2.82Å; N305-V307 VanDerWaalsContact OD1-N 3.12Å; V307-L326 HydrophobicContact CG1-CD1 3.92Å; V307-L326 WeakPolarHBondContact O-CB 3.37Å; V307-L326 PolarHBondContact O-N 3.07Å
308	R	95.7	Very high	87.1	Confident	6 Å²	6	60.9 Å²	60.9	2%	0.023	31%	0.31	C	S	.	.	H	α-helix	trans	-70.8	-56.6	-177.7	-165.2	172.2	49	78.5	2.6	112.3	M289 Y290 E303 N305 L326 E327	M289-R308 HydrophobicContact CB-CB 3.89Å; M289-R308 HydrophobicContact CB-CG 3.95Å; M289-R308 HydrophobicContact CG-CB 3.75Å; M289-R308 HydrophobicContact CG-CG 4.11Å; M289-R308 WeakPolarHBondContact O-CD 3.02Å; M289-R308 PolarHBondContact O-NE 3.19Å; M289-R308 HydrophobicContact SD-CB 4.01Å; M289-R308 HydrophobicContact SD-CG 3.96Å; Y290-R308 VanDerWaalsContact CZ-CD 3.42Å; E303-R308 PolarHBondContact O-NH2 2.98Å; N305-R308 HydrophobicContact CB-CB 4Å; N305-R308 PolarHBondContact O-N 2.85Å; N305-R308 VanDerWaalsContact O-N 3.12Å; N305-R308 PolarHBondContact OD1-N 3.42Å; R308-L326 PolarHBondContact O-N 2.92Å; R308-E327 VanDerWaalsContact CD-OE2 3.24Å; R308-E327 WeakPolarHBondContact CD-OE2 3.44Å; R308-E327 HydrophobicContact CG-CB 3.59Å; R308-E327 VanDerWaalsContact CG-CD 3.5Å; R308-E327 HydrophobicContact CG-CG 3.98Å; R308-E327 WeakPolarHBondContact CG-OE2 3.32Å; R308-E327 IonicContact NH1-OE2 2.75Å; R308-E327 PolarHBondContact NH1-OE2 3.31Å; R308-E327 VanDerWaalsContact NH1-OE2 3.15Å; R308-E327 VanDerWaalsContact O-CB 3.28Å; R308-E327 WeakPolarHBondContact O-CB 2.98Å; R308-E327 PolarHBondContact O-N 2.91Å
309	T	93.9	Very high	86.8	Confident	23 Å²	23	61.9 Å²	61.9	14%	0.141	31%	0.311	C	S	.	.	H	α-helix	trans	-92.1	-30.1	-172	56.5	0	0	0	0	113.6	N304 N305 Y322 G325	N304-T309 VanDerWaalsContact CA-OG1 3.31Å; N304-T309 WeakPolarHBondContact CA-OG1 3.29Å; N304-T309 PolarHBondContact O-OG1 2.91Å; N305-T309 PolarHBondContact O-N 3.06Å; N305-T309 PolarHBondContact O-OG1 2.75Å; T309-Y322 WeakPolarHBondContact O-CB 3.37Å; T309-G325 VanDerWaalsContact C-CA 3.48Å; T309-G325 WeakPolarHBondContact O-CA 3.47Å
310	G	94.5	Very high	86.5	Confident	4 Å²	4	68.8 Å²	68.8	4%	0.041	34%	0.337	C	S	.	.			trans	91.6	-170.3	-174.4	0	0	0	0	0	113.6	I306 L323	I306-G310 WeakPolarHBondContact O-CA 3.49Å; I306-G310 PolarHBondContact O-N 3.46Å; G310-L323 CarbonylContact C-O 3.51Å; G310-L323 VanDerWaalsContact CA-O 3.23Å; G310-L323 WeakPolarHBondContact CA-O 3.37Å
311	F	92.8	Very high	86.3	Confident	27 Å²	27	69.9 Å²	69.9	12%	0.118	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.7	-179.8	-62.2	-87	0	0	0	110.8	Y245 L248 W252 L255 I306 I313 Y322 L323 M324	Y245-F311 AromaticContact CD1-CE2 3.57Å; Y245-F311 HydrophobicContact CD1-CE2 3.57Å; Y245-F311 AromaticContact CD1-CZ 3.95Å; Y245-F311 HydrophobicContact CD1-CZ 3.95Å; Y245-F311 AromaticContact CE1-CE2 3.99Å; Y245-F311 HydrophobicContact CE1-CE2 3.99Å; L248-F311 HydrophobicContact CD1-CE1 3.62Å; L248-F311 HydrophobicContact CD1-CZ 3.98Å; L248-F311 HydrophobicContact CD2-CZ 4.22Å; W252-F311 AromaticContact CH2-CD1 3.6Å; W252-F311 HydrophobicContact CH2-CD1 3.6Å; W252-F311 HydrophobicContact CH2-CD2 4.31Å; W252-F311 AromaticContact CH2-CE1 3.56Å; W252-F311 HydrophobicContact CH2-CE1 3.56Å; W252-F311 HydrophobicContact CH2-CE2 4.3Å; W252-F311 AromaticContact CH2-CG 3.98Å; W252-F311 HydrophobicContact CH2-CG 3.98Å; W252-F311 AromaticContact CH2-CZ 3.92Å; W252-F311 HydrophobicContact CH2-CZ 3.92Å; W252-F311 HydrophobicContact CZ2-CE1 4.47Å; W252-F311 HydrophobicContact CZ3-CD1 4.1Å; W252-F311 AromaticContact CZ3-CD2 3.97Å; W252-F311 HydrophobicContact CZ3-CD2 3.97Å; W252-F311 AromaticContact CZ3-CE1 3.97Å; W252-F311 HydrophobicContact CZ3-CE1 3.97Å; W252-F311 AromaticContact CZ3-CE2 3.87Å; W252-F311 HydrophobicContact CZ3-CE2 3.87Å; W252-F311 HydrophobicContact CZ3-CG 4.09Å; W252-F311 AromaticContact CZ3-CZ 3.85Å; W252-F311 HydrophobicContact CZ3-CZ 3.85Å; L255-F311 HydrophobicContact CD2-CE2 3.45Å; L255-F311 VanDerWaalsContact CD2-CE2 3.45Å; L255-F311 HydrophobicContact CD2-CZ 3.71Å; I306-F311 HydrophobicContact CD1-CD1 3.73Å; I306-F311 HydrophobicContact CD1-CE1 3.29Å; I306-F311 HydrophobicContact CD1-CZ 3.78Å; I306-F311 HydrophobicContact CG1-CD1 4.25Å; I306-F311 HydrophobicContact CG1-CE1 4.03Å; I306-F311 HydrophobicContact CG1-CZ 4.2Å; F311-I313 PolarHBondContact O-N 2.82Å; F311-Y322 CarbonylContact O-C 3.56Å; F311-Y322 VanDerWaalsContact O-CA 3.28Å; F311-Y322 WeakPolarHBondContact O-CA 3.35Å; F311-L323 HydrophobicContact CB-CB 4.5Å; F311-L323 PolarHBondContact N-O 2.95Å; F311-L323 PolarHBondContact O-N 2.79Å; F311-M324 HydrophobicContact CD2-CE 3.81Å; F311-M324 HydrophobicContact CE2-CE 4.04Å
312	D	89.9	Confident	86.5	Confident	90 Å²	90	69.9 Å²	69.9	48%	0.481	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	114	174.1	-169.7	-20.5	0	0	0	110.4	S314 Y322	D312-S314 WeakPolarHBondContact OD1-CB 3.36Å; D312-S314 PolarHBondContact OD1-N 3.41Å; D312-S314 PolarHBondContact OD1-OG 2.91Å; D312-Y322 HydrophobicContact CB-CD1 4.05Å; D312-Y322 HydrophobicContact CB-CE1 3.84Å
313	I	88.9	Confident	86.7	Confident	76 Å²	76	66.4 Å²	66.4	39%	0.39	33%	0.327	S	S	.	.			trans	-116.8	22.6	177.4	59.9	159.9	0	0	0	111.7	F311 V321 L323	F311-I313 PolarHBondContact O-N 2.82Å; I313-V321 HydrophobicContact CD1-CG1 3.77Å; I313-V321 HydrophobicContact CG1-CB 4.02Å; I313-V321 HydrophobicContact CG1-CG1 3.73Å; I313-V321 VanDerWaalsContact CG1-O 3.31Å; I313-V321 WeakPolarHBondContact CG1-O 3.41Å; I313-V321 PolarHBondContact N-O 3.46Å; I313-L323 HydrophobicContact CD1-CB 3.92Å; I313-L323 HydrophobicContact CD1-CD1 4.27Å; I313-L323 HydrophobicContact CD1-CG 4.47Å; I313-L323 HydrophobicContact CG1-CB 4.11Å; I313-L323 HydrophobicContact CG2-CB 3.99Å; I313-L323 HydrophobicContact CG2-CD2 4.3Å
314	S	84.9	Confident	87.1	Confident	28 Å²	28	61.9 Å²	61.9	20%	0.196	31%	0.305	C	S	.	.			trans	-60	122.9	-173.1	-53.4	0	0	0	0	111.4	D312 N316 K319 R320 V321	D312-S314 WeakPolarHBondContact OD1-CB 3.36Å; D312-S314 PolarHBondContact OD1-N 3.41Å; D312-S314 PolarHBondContact OD1-OG 2.91Å; S314-N316 WeakPolarHBondContact CB-O 3.47Å; S314-N316 PolarHBondContact O-N 2.71Å; S314-K319 WeakPolarHBondContact CB-O 3.4Å; S314-R320 WeakPolarHBondContact OG-CA 3.46Å; S314-V321 PolarHBondContact N-O 3.11Å; S314-V321 PolarHBondContact OG-N 3.12Å
315	P	79.2	Confident	87.6	Confident	110 Å²	110	60.7 Å²	60.7	71%	0.714	30%	0.301	S	S	*	.	S	Bend	trans	-67.8	-20.8	178.8	26.8	-33.8	0	0	0	112.2
316	N	78.3	Confident	87.8	Confident	82 Å²	82	60.6 Å²	60.6	44%	0.439	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-153.5	165	171.3	61.4	52.4	0	0	0	110.5	S314 H318 K319	S314-N316 WeakPolarHBondContact CB-O 3.47Å; S314-N316 PolarHBondContact O-N 2.71Å; N316-H318 PolarHBondContact O-N 2.9Å; N316-H318 PolarHBondContact OD1-N 3Å; N316-K319 PolarHBondContact OD1-N 2.91Å
317	H	73	Confident	87.9	Confident	185 Å²	185	59.3 Å²	59.3	86%	0.856	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-5	-177.7	-62.9	-62.5	0	0	0	115.4
318	H	73.4	Confident	87.8	Confident	181 Å²	181	61.1 Å²	61.1	84%	0.838	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-25.3	-175.6	-64.1	-62.4	0	0	0	114	N316	N316-H318 PolarHBondContact O-N 2.9Å; N316-H318 PolarHBondContact OD1-N 3Å
319	K	76.5	Confident	87.8	Confident	115 Å²	115	61 Å²	61	50%	0.5	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-123.6	99.6	175.4	-171.2	179.7	-178.7	-174.1	0	108.7	S314 N316 V321	S314-K319 WeakPolarHBondContact CB-O 3.4Å; N316-K319 PolarHBondContact OD1-N 2.91Å; K319-V321 HydrophobicContact CG-CG2 4.4Å; K319-V321 PolarHBondContact O-N 2.96Å
320	R	81.9	Confident	88	Confident	148 Å²	148	59.9 Å²	59.9	56%	0.558	30%	0.297	S	S	*	.			trans	-71.2	126.3	177.5	-65.3	-165.2	-176	172.7	1.1	110.3	S314 Y322	S314-R320 WeakPolarHBondContact OG-CA 3.46Å; R320-Y322 HydrophobicContact CB-CD2 4.49Å; R320-Y322 HydrophobicContact CB-CE2 3.8Å; R320-Y322 VanDerWaalsContact CD-OH 3.31Å; R320-Y322 WeakPolarHBondContact CD-OH 3.34Å; R320-Y322 PolarHBondContact NH1-OH 3.24Å
321	V	84.3	Confident	88.1	Confident	31 Å²	31	60.4 Å²	60.4	19%	0.188	30%	0.298	C	S	.	.			trans	-126.8	122	175.2	-176	0	0	0	0	106.7	I313 S314 K319 I462	I313-V321 HydrophobicContact CD1-CG1 3.77Å; I313-V321 HydrophobicContact CG1-CB 4.02Å; I313-V321 HydrophobicContact CG1-CG1 3.73Å; I313-V321 VanDerWaalsContact CG1-O 3.31Å; I313-V321 WeakPolarHBondContact CG1-O 3.41Å; I313-V321 PolarHBondContact N-O 3.46Å; S314-V321 PolarHBondContact N-O 3.11Å; S314-V321 PolarHBondContact OG-N 3.12Å; K319-V321 HydrophobicContact CG-CG2 4.4Å; K319-V321 PolarHBondContact O-N 2.96Å; V321-I462 HydrophobicContact CG1-CD1 3.74Å
322	Y	89.4	Confident	88.2	Confident	61 Å²	61	61 Å²	61	24%	0.239	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.7	176.2	-61.7	-91.6	0	0	0	110.3	N304 T309 F311 D312 R320	N304-Y322 HydrophobicContact CB-CE1 4.32Å; N304-Y322 PolarHBondContact ND2-OH 3.37Å; N304-Y322 PolarHBondContact OD1-OH 3.38Å; N304-Y322 VanDerWaalsContact OD1-OH 3.11Å; T309-Y322 WeakPolarHBondContact O-CB 3.37Å; F311-Y322 CarbonylContact O-C 3.56Å; F311-Y322 VanDerWaalsContact O-CA 3.28Å; F311-Y322 WeakPolarHBondContact O-CA 3.35Å; D312-Y322 HydrophobicContact CB-CD1 4.05Å; D312-Y322 HydrophobicContact CB-CE1 3.84Å; R320-Y322 HydrophobicContact CB-CD2 4.49Å; R320-Y322 HydrophobicContact CB-CE2 3.8Å; R320-Y322 VanDerWaalsContact CD-OH 3.31Å; R320-Y322 WeakPolarHBondContact CD-OH 3.34Å; R320-Y322 PolarHBondContact NH1-OH 3.24Å
323	L	91.2	Very high	88.6	Confident	47 Å²	47	57.9 Å²	57.9	25%	0.246	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135	-177.8	-171.5	68	0	0	0	110.1	G310 F311 I313 G325 Y459	G310-L323 CarbonylContact C-O 3.51Å; G310-L323 VanDerWaalsContact CA-O 3.23Å; G310-L323 WeakPolarHBondContact CA-O 3.37Å; F311-L323 HydrophobicContact CB-CB 4.5Å; F311-L323 PolarHBondContact N-O 2.95Å; F311-L323 PolarHBondContact O-N 2.79Å; I313-L323 HydrophobicContact CD1-CB 3.92Å; I313-L323 HydrophobicContact CD1-CD1 4.27Å; I313-L323 HydrophobicContact CD1-CG 4.47Å; I313-L323 HydrophobicContact CG1-CB 4.11Å; I313-L323 HydrophobicContact CG2-CB 3.99Å; I313-L323 HydrophobicContact CG2-CD2 4.3Å; L323-G325 VanDerWaalsContact C-N 3.31Å; L323-G325 PolarHBondContact O-N 2.85Å; L323-Y459 HydrophobicContact CD1-CD2 4.18Å; L323-Y459 HydrophobicContact CD1-CE2 3.63Å
324	M	93.7	Very high	89	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.039	26%	0.264	C	S	.	.	S	Bend	trans	62.3	27.1	176.1	-62.9	173.3	-67.4	0	0	115.4	Y245 W252 L255 V256 Y259 F311	Y245-M324 HydrophobicContact CE1-CB 4.37Å; Y245-M324 VanDerWaalsContact CE1-O 3.31Å; Y245-M324 WeakPolarHBondContact CE1-O 3.26Å; Y245-M324 PolarHBondContact OH-O 3.49Å; W252-M324 HydrophobicContact CE3-CE 4.22Å; W252-M324 HydrophobicContact CZ3-CE 3.93Å; L255-M324 HydrophobicContact CD2-CE 3.91Å; L255-M324 HydrophobicContact CD2-SD 4.32Å; L255-M324 HydrophobicContact CG-CE 4.29Å; L255-M324 HydrophobicContact CG-SD 4.05Å; V256-M324 HydrophobicContact CG2-SD 4.19Å; Y259-M324 HydrophobicContact CD1-CG 3.97Å; Y259-M324 HydrophobicContact CD2-CB 3.64Å; Y259-M324 HydrophobicContact CD2-CG 3.82Å; Y259-M324 HydrophobicContact CE1-CG 4.41Å; Y259-M324 HydrophobicContact CE2-CB 3.96Å; Y259-M324 HydrophobicContact CE2-CG 4.31Å; Y259-M324 HydrophobicContact CG-CB 4.02Å; Y259-M324 HydrophobicContact CG-CG 3.64Å; Y259-M324 HydrophobicContact CG-SD 4.5Å; F311-M324 HydrophobicContact CD2-CE 3.81Å; F311-M324 HydrophobicContact CE2-CE 4.04Å
325	G	95.2	Very high	89.6	Confident	10 Å²	10	52.9 Å²	52.9	10%	0.103	25%	0.254	C	S	.	.			trans	-68.2	130.9	170.8	0	0	0	0	0	111.7	T309 L323	T309-G325 VanDerWaalsContact C-CA 3.48Å; T309-G325 WeakPolarHBondContact O-CA 3.47Å; L323-G325 VanDerWaalsContact C-N 3.31Å; L323-G325 PolarHBondContact O-N 2.85Å
326	L	97.3	Very high	90.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-84.9	-25.4	-176.4	-63.4	-173.8	0	0	0	113.6	F240 Y245 Y259 L262 M289 V307 R308 N328 L329 F330	F240-L326 HydrophobicContact CD2-CD1 3.51Å; F240-L326 HydrophobicContact CE2-CD1 3.39Å; F240-L326 HydrophobicContact CG-CD1 4.2Å; F240-L326 HydrophobicContact CZ-CD1 3.98Å; Y245-L326 HydrophobicContact CE2-CD1 4.03Å; Y245-L326 HydrophobicContact CE2-CG 4.38Å; Y245-L326 WeakPolarHBondContact OH-CD2 3.34Å; Y245-L326 VanDerWaalsContact OH-CG 3.28Å; Y245-L326 WeakPolarHBondContact OH-CG 3.21Å; Y259-L326 HydrophobicContact CD2-CD2 3.93Å; Y259-L326 HydrophobicContact CE2-CD2 4.07Å; L262-L326 HydrophobicContact CD2-CD2 3.61Å; M289-L326 HydrophobicContact SD-CB 4.47Å; V307-L326 HydrophobicContact CG1-CD1 3.92Å; V307-L326 WeakPolarHBondContact O-CB 3.37Å; V307-L326 PolarHBondContact O-N 3.07Å; R308-L326 PolarHBondContact O-N 2.92Å; L326-N328 PolarHBondContact O-N 2.8Å; L326-L329 HydrophobicContact CD2-CD2 4.34Å; L326-L329 PolarHBondContact O-N 2.8Å; L326-F330 HydrophobicContact CB-CD2 4.14Å; L326-F330 HydrophobicContact CB-CE2 3.68Å; L326-F330 HydrophobicContact CB-CZ 3.98Å; L326-F330 HydrophobicContact CD1-CE2 4.21Å; L326-F330 HydrophobicContact CD1-CZ 4.05Å; L326-F330 HydrophobicContact CG-CZ 4.42Å; L326-F330 WeakPolarHBondContact O-CB 3.23Å; L326-F330 VanDerWaalsContact O-CD2 3.31Å; L326-F330 WeakPolarHBondContact O-CD2 3.37Å; L326-F330 WeakPolarHBondContact O-CG 3.41Å; L326-F330 PolarHBondContact O-N 2.65Å
327	E	96.5	Very high	91.5	Very high	13 Å²	13	43.8 Å²	43.8	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-48.6	-176.7	-172.7	178.2	-156	0	0	112.1	M289 Y290 R308 L329 F330 Y331 Y353 N354	M289-E327 HydrophobicContact SD-CB 4.09Å; Y290-E327 WeakPolarHBondContact CE2-OE1 3.31Å; Y290-E327 PolarHBondContact OH-OE1 2.8Å; R308-E327 VanDerWaalsContact CD-OE2 3.24Å; R308-E327 WeakPolarHBondContact CD-OE2 3.44Å; R308-E327 HydrophobicContact CG-CB 3.59Å; R308-E327 VanDerWaalsContact CG-CD 3.5Å; R308-E327 HydrophobicContact CG-CG 3.98Å; R308-E327 WeakPolarHBondContact CG-OE2 3.32Å; R308-E327 IonicContact NH1-OE2 2.75Å; R308-E327 PolarHBondContact NH1-OE2 3.31Å; R308-E327 VanDerWaalsContact NH1-OE2 3.15Å; R308-E327 VanDerWaalsContact O-CB 3.28Å; R308-E327 WeakPolarHBondContact O-CB 2.98Å; R308-E327 PolarHBondContact O-N 2.91Å; E327-L329 VanDerWaalsContact C-N 3.32Å; E327-L329 PolarHBondContact O-N 2.84Å; E327-F330 PolarHBondContact O-N 3.38Å; E327-Y331 VanDerWaalsContact O-CB 3.28Å; E327-Y331 WeakPolarHBondContact O-CB 3.36Å; E327-Y331 PolarHBondContact O-N 3.29Å; E327-Y353 HydrophobicContact CG-CD2 3.75Å; E327-Y353 HydrophobicContact CG-CE2 3.9Å; E327-Y353 WeakPolarHBondContact OE1-CA 3.36Å; E327-N354 PolarHBondContact OE1-N 3.06Å
328	N	94.1	Very high	92.7	Very high	38 Å²	38	35.4 Å²	35.4	20%	0.203	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-40.2	179.8	-171.9	55.9	0	0	0	111.5	L326 Y331 Q332 Y353 F457	L326-N328 PolarHBondContact O-N 2.8Å; N328-Y331 PolarHBondContact O-N 3.4Å; N328-Q332 PolarHBondContact ND2-NE2 2.98Å; N328-Q332 VanDerWaalsContact ND2-NE2 3.11Å; N328-Q332 WeakPolarHBondContact O-CB 3.32Å; N328-Q332 VanDerWaalsContact O-CG 3.26Å; N328-Q332 WeakPolarHBondContact O-CG 3.3Å; N328-Q332 PolarHBondContact O-N 3.1Å; N328-Y353 PolarHBondContact OD1-OH 3Å; N328-F457 PolarHBondContact ND2-O 3.34Å
329	L	95.9	Very high	94	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-50.8	176.1	-178.2	69.6	0	0	0	110.8	Y259 L262 Y263 L266 L326 E327 Y331 Q332 Y333	Y259-L329 HydrophobicContact CE2-CD2 4.16Å; L262-L329 HydrophobicContact CD2-CD2 3.84Å; L262-L329 HydrophobicContact CG-CD2 3.87Å; Y263-L329 HydrophobicContact CD2-CD1 3.77Å; L266-L329 HydrophobicContact CD1-CD1 4.31Å; L266-L329 HydrophobicContact CD1-CD2 3.98Å; L266-L329 HydrophobicContact CD1-CG 3.76Å; L326-L329 HydrophobicContact CD2-CD2 4.34Å; L326-L329 PolarHBondContact O-N 2.8Å; E327-L329 VanDerWaalsContact C-N 3.32Å; E327-L329 PolarHBondContact O-N 2.84Å; L329-Y331 VanDerWaalsContact C-N 3.34Å; L329-Y331 PolarHBondContact O-N 2.61Å; L329-Q332 PolarHBondContact O-N 3.26Å; L329-Y333 HydrophobicContact CD1-CD2 3.57Å; L329-Y333 HydrophobicContact CD1-CE2 3.59Å; L329-Y333 HydrophobicContact CG-CD2 4.27Å; L329-Y333 VanDerWaalsContact O-CD2 3.32Å; L329-Y333 WeakPolarHBondContact O-CD2 3.35Å; L329-Y333 PolarHBondContact O-N 3.22Å; L329-Y333 VanDerWaalsContact O-N 3.07Å
330	F	97.8	Very high	95	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64	-38.3	179.8	-65.4	-23.3	0	0	0	113	F240 L262 L266 V283 M289 L326 E327 G334 V335 I338	F240-F330 HydrophobicContact CD1-CZ 4.3Å; F240-F330 HydrophobicContact CE1-CE2 4.37Å; F240-F330 HydrophobicContact CE1-CZ 4.34Å; L262-F330 HydrophobicContact CD1-CE1 4.15Å; L262-F330 HydrophobicContact CD2-CE1 3.74Å; L262-F330 HydrophobicContact CD2-CZ 4Å; L262-F330 HydrophobicContact CG-CE1 4.23Å; L266-F330 HydrophobicContact CD1-CD1 4.08Å; L266-F330 HydrophobicContact CD1-CE1 4.33Å; V283-F330 HydrophobicContact CB-CZ 4.46Å; V283-F330 HydrophobicContact CG1-CE1 4.26Å; V283-F330 HydrophobicContact CG1-CE2 4.04Å; V283-F330 HydrophobicContact CG1-CZ 3.68Å; V283-F330 HydrophobicContact CG2-CD1 4.33Å; V283-F330 HydrophobicContact CG2-CE1 4.03Å; V283-F330 HydrophobicContact CG2-CZ 4.24Å; M289-F330 HydrophobicContact CE-CD2 3.68Å; M289-F330 HydrophobicContact CE-CE2 3.79Å; L326-F330 HydrophobicContact CB-CD2 4.14Å; L326-F330 HydrophobicContact CB-CE2 3.68Å; L326-F330 HydrophobicContact CB-CZ 3.98Å; L326-F330 HydrophobicContact CD1-CE2 4.21Å; L326-F330 HydrophobicContact CD1-CZ 4.05Å; L326-F330 HydrophobicContact CG-CZ 4.42Å; L326-F330 WeakPolarHBondContact O-CB 3.23Å; L326-F330 VanDerWaalsContact O-CD2 3.31Å; L326-F330 WeakPolarHBondContact O-CD2 3.37Å; L326-F330 WeakPolarHBondContact O-CG 3.41Å; L326-F330 PolarHBondContact O-N 2.65Å; E327-F330 PolarHBondContact O-N 3.38Å; F330-G334 PolarHBondContact O-N 3.04Å; F330-V335 HydrophobicContact CB-CB 3.88Å; F330-V335 HydrophobicContact CB-CG1 4.44Å; F330-V335 HydrophobicContact CB-CG2 3.78Å; F330-V335 HydrophobicContact CD1-CG2 3.71Å; F330-V335 HydrophobicContact CG-CB 4.4Å; F330-V335 HydrophobicContact CG-CG2 3.99Å; F330-V335 WeakPolarHBondContact O-CB 3.46Å; F330-V335 PolarHBondContact O-N 3.45Å; F330-I338 HydrophobicContact CB-CD1 4.15Å; F330-I338 HydrophobicContact CD2-CD1 3.79Å; F330-I338 HydrophobicContact CD2-CG1 4.23Å; F330-I338 HydrophobicContact CG-CD1 4.33Å
331	Y	96.5	Very high	95.8	Very high	16 Å²	16	14.6 Å²	14.6	6%	0.063	7%	0.073	C	C	.	.	H	α-helix	trans	-62.7	-53.8	173.6	-176.3	-85	0	0	0	111.4	E327 N328 L329 Y333 G334 Y353 A372 Y449 T450 C451	E327-Y331 VanDerWaalsContact O-CB 3.28Å; E327-Y331 WeakPolarHBondContact O-CB 3.36Å; E327-Y331 PolarHBondContact O-N 3.29Å; N328-Y331 PolarHBondContact O-N 3.4Å; L329-Y331 VanDerWaalsContact C-N 3.34Å; L329-Y331 PolarHBondContact O-N 2.61Å; Y331-Y333 VanDerWaalsContact C-N 3.28Å; Y331-Y333 PolarHBondContact O-N 3.42Å; Y331-G334 PolarHBondContact O-N 3.05Å; Y331-Y353 HydrophobicContact CD1-CE1 4.29Å; Y331-Y353 HydrophobicContact CD1-CE2 4.26Å; Y331-Y353 AromaticContact CD2-CD1 3.71Å; Y331-Y353 HydrophobicContact CD2-CD1 3.71Å; Y331-Y353 AromaticContact CD2-CD2 3.39Å; Y331-Y353 HydrophobicContact CD2-CD2 3.39Å; Y331-Y353 HydrophobicContact CD2-CE1 4.16Å; Y331-Y353 AromaticContact CD2-CE2 3.82Å; Y331-Y353 HydrophobicContact CD2-CE2 3.82Å; Y331-Y353 AromaticContact CD2-CG 3.35Å; Y331-Y353 HydrophobicContact CD2-CG 3.35Å; Y331-Y353 HydrophobicContact CE1-CD1 4.48Å; Y331-Y353 HydrophobicContact CE1-CE1 4.29Å; Y331-Y353 AromaticContact CE2-CD1 3.56Å; Y331-Y353 HydrophobicContact CE2-CD1 3.56Å; Y331-Y353 HydrophobicContact CE2-CD2 4.11Å; Y331-Y353 HydrophobicContact CE2-CE1 4.16Å; Y331-Y353 AromaticContact CE2-CG 3.58Å; Y331-Y353 HydrophobicContact CE2-CG 3.58Å; Y331-Y353 HydrophobicContact CG-CD1 4.24Å; Y331-Y353 AromaticContact CG-CD2 3.71Å; Y331-Y353 HydrophobicContact CG-CD2 3.71Å; Y331-Y353 HydrophobicContact CG-CE1 4.23Å; Y331-Y353 AromaticContact CG-CE2 3.62Å; Y331-Y353 HydrophobicContact CG-CE2 3.62Å; Y331-Y353 HydrophobicContact CG-CG 4.04Å; Y331-Y353 AromaticContact CG-CZ 3.92Å; Y331-Y353 AromaticContact CZ-CD1 3.97Å; Y331-A372 HydrophobicContact CD2-CB 4.45Å; Y331-A372 HydrophobicContact CE2-CB 4.21Å; Y331-Y449 AromaticContact CD2-CD2 3.92Å; Y331-Y449 HydrophobicContact CD2-CD2 3.92Å; Y331-Y449 HydrophobicContact CD2-CG 4.28Å; Y331-Y449 HydrophobicContact CE2-CD2 4.12Å; Y331-Y449 HydrophobicContact CE2-CG 4.02Å; Y331-Y449 HydrophobicContact CG-CD2 4.19Å; Y331-Y449 VanDerWaalsContact O-CD2 3.24Å; Y331-Y449 WeakPolarHBondContact O-CD2 3.43Å; Y331-Y449 WeakPolarHBondContact OH-CB 3.27Å; Y331-Y449 PolarHBondContact OH-O 2.89Å; Y331-T450 PolarHBondContact OH-N 2.88Å; Y331-C451 HydrophobicContact CE2-CB 4.06Å; Y331-C451 WeakPolarHBondContact OH-CA 3.33Å; Y331-C451 PolarHBondContact OH-N 2.95Å; Y331-C451 PolarHBondContact OH-O 3.31Å
332	Q	94.9	Very high	96.4	Very high	38 Å²	38	14.2 Å²	14.2	18%	0.178	7%	0.069	C	C	.	.	H	α-helix	trans	-59.2	-39.6	-177.1	-75.2	178.8	-11	0	0	112.5	N328 L329 P446 G447	N328-Q332 PolarHBondContact ND2-NE2 2.98Å; N328-Q332 VanDerWaalsContact ND2-NE2 3.11Å; N328-Q332 WeakPolarHBondContact O-CB 3.32Å; N328-Q332 VanDerWaalsContact O-CG 3.26Å; N328-Q332 WeakPolarHBondContact O-CG 3.3Å; N328-Q332 PolarHBondContact O-N 3.1Å; L329-Q332 PolarHBondContact O-N 3.26Å; Q332-P446 VanDerWaalsContact O-CA 3.24Å; Q332-P446 WeakPolarHBondContact O-CA 3.5Å; Q332-P446 VanDerWaalsContact O-CB 3.24Å; Q332-P446 WeakPolarHBondContact O-CB 3.21Å; Q332-G447 PolarHBondContact O-N 3.05Å
333	Y	97.1	Very high	96.7	Very high	25 Å²	25	11.4 Å²	11.4	10%	0.098	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	8.4	-177.5	-73	-71.9	0	0	0	115.1	Y263 L266 L267 N270 R275 L329 Y331 P446	Y263-Y333 AromaticContact CD2-CE2 3.85Å; Y263-Y333 HydrophobicContact CD2-CE2 3.85Å; Y263-Y333 AromaticContact CE2-CE2 3.7Å; Y263-Y333 HydrophobicContact CE2-CE2 3.7Å; Y263-Y333 AromaticContact CE2-CZ 3.59Å; Y263-Y333 WeakPolarHBondContact CE2-OH 3.43Å; Y263-Y333 PolarHBondContact OH-OH 2.81Å; L266-Y333 HydrophobicContact CB-CD1 4.35Å; L266-Y333 HydrophobicContact CB-CD2 4.38Å; L266-Y333 HydrophobicContact CB-CG 3.95Å; L266-Y333 HydrophobicContact CD1-CD2 4.32Å; L266-Y333 HydrophobicContact CD1-CG 4.4Å; L267-Y333 HydrophobicContact CD2-CE1 3.55Å; L267-Y333 HydrophobicContact CG-CE1 4.19Å; N270-Y333 PolarHBondContact ND2-O 2.78Å; N270-Y333 PolarHBondContact OD1-O 3.44Å; R275-Y333 PolarHBondContact NH1-O 3.4Å; L329-Y333 HydrophobicContact CD1-CD2 3.57Å; L329-Y333 HydrophobicContact CD1-CE2 3.59Å; L329-Y333 HydrophobicContact CG-CD2 4.27Å; L329-Y333 VanDerWaalsContact O-CD2 3.32Å; L329-Y333 WeakPolarHBondContact O-CD2 3.35Å; L329-Y333 PolarHBondContact O-N 3.22Å; L329-Y333 VanDerWaalsContact O-N 3.07Å; Y331-Y333 VanDerWaalsContact C-N 3.28Å; Y331-Y333 PolarHBondContact O-N 3.42Å; Y333-P446 HydrophobicContact CD1-CB 4.5Å
334	G	97.3	Very high	97	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	43.9	171.5	0	0	0	0	0	113.4	R275 F330 Y331	R275-G334 PolarHBondContact NH1-O 3.25Å; R275-G334 VanDerWaalsContact NH1-O 3.12Å; R275-G334 PolarHBondContact NH2-O 2.83Å; F330-G334 PolarHBondContact O-N 3.04Å; Y331-G334 PolarHBondContact O-N 3.05Å
335	V	98.5	Very high	97.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.			trans	-69.2	126.5	169.6	171.8	0	0	0	0	109.4	L266 I281 V283 F330 I338 P373 Y449	L266-V335 HydrophobicContact CD2-CG2 3.88Å; I281-V335 HydrophobicContact CG2-CB 4.45Å; I281-V335 HydrophobicContact CG2-CG1 4.49Å; I281-V335 HydrophobicContact CG2-CG2 3.88Å; V283-V335 HydrophobicContact CB-CG1 4.19Å; V283-V335 HydrophobicContact CG2-CB 4.42Å; V283-V335 HydrophobicContact CG2-CG1 3.52Å; V283-V335 HydrophobicContact CG2-CG2 3.97Å; F330-V335 HydrophobicContact CB-CB 3.88Å; F330-V335 HydrophobicContact CB-CG1 4.44Å; F330-V335 HydrophobicContact CB-CG2 3.78Å; F330-V335 HydrophobicContact CD1-CG2 3.71Å; F330-V335 HydrophobicContact CG-CB 4.4Å; F330-V335 HydrophobicContact CG-CG2 3.99Å; F330-V335 WeakPolarHBondContact O-CB 3.46Å; F330-V335 PolarHBondContact O-N 3.45Å; V335-I338 HydrophobicContact CG1-CD1 4.2Å; V335-I338 HydrophobicContact CG1-CG1 3.67Å; V335-P373 VanDerWaalsContact O-CB 3.29Å; V335-P373 WeakPolarHBondContact O-CB 3.32Å; V335-P373 WeakPolarHBondContact O-CG 3.22Å; V335-Y449 PolarHBondContact O-OH 2.92Å
336	D	98.6	Very high	97.2	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	4%	0.042	C	C	.	.			trans	-85	-44.6	-169.6	-57.8	-63.3	0	0	0	113.3	R275 W280 I281 V374 K441 H444	R275-D336 IonicContact NH2-OD1 3.23Å; R275-D336 IonicContact NH2-OD2 3.74Å; R275-D336 PolarHBondContact NH2-OD2 2.96Å; W280-D336 WeakPolarHBondContact CA-OD2 3.44Å; W280-D336 HydrophobicContact CE3-CB 3.6Å; W280-D336 HydrophobicContact CZ3-CB 3.88Å; I281-D336 PolarHBondContact N-OD2 3Å; I281-D336 PolarHBondContact O-N 3.38Å; D336-V374 PolarHBondContact O-N 3.4Å; D336-K441 WeakPolarHBondContact OD1-CD 3.28Å; D336-K441 WeakPolarHBondContact OD1-CE 3.36Å; D336-K441 IonicContact OD1-NZ 3Å; D336-K441 PolarHBondContact OD1-NZ 2.74Å; D336-H444 IonicContact OD1-ND1 2.61Å; D336-H444 IonicContact OD2-ND1 2.84Å
337	L	98.8	Very high	97.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.7	-176.5	177.1	64	0	0	0	110.2	I282 V283 I339 V374 I376 M410 L418 I420 I439	I282-L337 CarbonylContact C-O 3.54Å; I282-L337 WeakPolarHBondContact CA-O 3.38Å; I282-L337 HydrophobicContact CG1-CB 4.36Å; I282-L337 HydrophobicContact CG2-CB 4.28Å; I282-L337 HydrophobicContact CG2-CD2 4.28Å; I282-L337 HydrophobicContact CG2-CG 4.35Å; V283-L337 PolarHBondContact N-O 3.43Å; L337-I339 HydrophobicContact CD1-CG1 4.41Å; L337-I339 HydrophobicContact CD2-CD1 3.85Å; L337-I339 HydrophobicContact CD2-CG1 3.98Å; L337-I339 HydrophobicContact CG-CD1 4.27Å; L337-I339 HydrophobicContact CG-CG1 3.84Å; L337-V374 CarbonylContact C-O 3.5Å; L337-V374 WeakPolarHBondContact CA-O 3.26Å; L337-V374 HydrophobicContact CD1-CB 4.31Å; L337-V374 HydrophobicContact CD1-CG1 4.22Å; L337-I376 HydrophobicContact CD1-CG1 4.26Å; L337-I376 HydrophobicContact CD1-CG2 4.29Å; L337-M410 HydrophobicContact CD2-SD 3.84Å; L337-L418 HydrophobicContact CB-CD2 4.25Å; L337-L418 HydrophobicContact CD2-CD2 3.92Å; L337-I420 HydrophobicContact CD2-CD1 3.79Å; L337-I420 HydrophobicContact CD2-CG1 4.46Å; L337-I439 HydrophobicContact CB-CD1 4.28Å; L337-I439 HydrophobicContact CD1-CD1 4.18Å
338	I	98.8	Very high	97.4	Very high	8 Å²	8	9.3 Å²	9.3	4%	0.041	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.5	175.3	-60	153.4	0	0	0	108.4	V283 M289 F330 V335 P373 V374 H375 I376	V283-I338 HydrophobicContact CB-CG1 4.29Å; V283-I338 CarbonylContact O-C 3.52Å; V283-I338 WeakPolarHBondContact O-CA 3.46Å; M289-I338 HydrophobicContact CE-CD1 3.91Å; M289-I338 HydrophobicContact CE-CG2 3.79Å; F330-I338 HydrophobicContact CB-CD1 4.15Å; F330-I338 HydrophobicContact CD2-CD1 3.79Å; F330-I338 HydrophobicContact CD2-CG1 4.23Å; F330-I338 HydrophobicContact CG-CD1 4.33Å; V335-I338 HydrophobicContact CG1-CD1 4.2Å; V335-I338 HydrophobicContact CG1-CG1 3.67Å; I338-P373 HydrophobicContact CD1-CB 3.77Å; I338-P373 HydrophobicContact CD1-CG 4.43Å; I338-V374 PolarHBondContact N-O 2.66Å; I338-H375 WeakPolarHBondContact CD1-CE1 3.19Å; I338-H375 CarbonylContact O-C 3.32Å; I338-H375 VanDerWaalsContact O-CA 3.31Å; I338-H375 WeakPolarHBondContact O-CA 3.18Å; I338-I376 PolarHBondContact O-N 3.27Å
339	I	98.8	Very high	97.6	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.6	-175	-49.3	-177.2	0	0	0	108.9	V134 V165 I282 V283 I284 G285 L337 I376 M410	V134-I339 HydrophobicContact CG1-CD1 4.03Å; V134-I339 HydrophobicContact CG1-CG2 3.69Å; V165-I339 HydrophobicContact CG2-CG2 4.19Å; I282-I339 HydrophobicContact CG2-CD1 4.09Å; I282-I339 HydrophobicContact CG2-CG1 4.41Å; V283-I339 PolarHBondContact O-N 2.78Å; I284-I339 WeakPolarHBondContact CA-O 3.39Å; I284-I339 HydrophobicContact CG2-CB 4.13Å; I284-I339 HydrophobicContact CG2-CD1 4.35Å; I284-I339 HydrophobicContact CG2-CG1 4.5Å; G285-I339 PolarHBondContact N-O 2.79Å; G285-I339 VanDerWaalsContact N-O 3.14Å; L337-I339 HydrophobicContact CD1-CG1 4.41Å; L337-I339 HydrophobicContact CD2-CD1 3.85Å; L337-I339 HydrophobicContact CD2-CG1 3.98Å; L337-I339 HydrophobicContact CG-CD1 4.27Å; L337-I339 HydrophobicContact CG-CG1 3.84Å; I339-I376 WeakPolarHBondContact CA-O 3.25Å; I339-I376 HydrophobicContact CB-CD1 4.41Å; I339-I376 HydrophobicContact CB-CG1 4.05Å; I339-I376 HydrophobicContact CD1-CD1 4.1Å; I339-I376 HydrophobicContact CG1-CD1 3.89Å; I339-I376 HydrophobicContact CG1-CG1 3.81Å; I339-I376 HydrophobicContact CG2-CD1 3.99Å; I339-I376 HydrophobicContact CG2-CG1 3.86Å; I339-M410 HydrophobicContact CD1-SD 4.2Å
340	A	98.6	Very high	97.6	Very high	7 Å²	7	11.3 Å²	11.3	6%	0.058	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	162.2	174.2	0	0	0	0	0	113.3	G285 P288 I376 V377 S378	G285-A340 VanDerWaalsContact O-CA 3.23Å; G285-A340 WeakPolarHBondContact O-CA 3.42Å; P288-A340 HydrophobicContact CB-CB 3.74Å; A340-I376 PolarHBondContact N-O 2.71Å; A340-V377 HydrophobicContact CB-CG2 4.39Å; A340-V377 CarbonylContact O-C 3.58Å; A340-V377 WeakPolarHBondContact O-CA 3.46Å; A340-S378 PolarHBondContact O-N 2.95Å
341	G	97.8	Very high	97.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.048	C	C	.	.			trans	-110.8	-128.9	165.6	0	0	0	0	0	109.5	D137 H286 E343	D137-G341 VanDerWaalsContact OD2-CA 3.31Å; D137-G341 WeakPolarHBondContact OD2-CA 3.04Å; H286-G341 CarbonylContact O-C 3.57Å; H286-G341 PolarHBondContact O-N 3.27Å; G341-E343 PolarHBondContact O-N 2.81Å
342	H	97.4	Very high	97.6	Very high	22 Å²	22	10.6 Å²	10.6	10%	0.102	5%	0.045	C	C	.	.	S	Bend	trans	70.8	-54.3	171	-168.6	53.1	0	0	0	115	D137 N202 H286 R287 D296 H299 H344	D137-H342 WeakPolarHBondContact OD1-CA 3.45Å; D137-H342 PolarHBondContact OD1-N 2.7Å; D137-H342 PolarHBondContact OD2-N 3.13Å; N202-H342 PolarHBondContact OD1-CE1 2.95Å; N202-H342 PolarHBondContact OD1-ND1 3.18Å; H286-H342 AromaticContact CD2-ND1 3.86Å; H286-H342 WeakPolarHBondContact CE1-CA 3.48Å; H286-H342 PolarHBondContact CE1-N 3.04Å; H286-H342 VanDerWaalsContact CE1-N 3.28Å; H286-H342 WeakPolarHBondContact NE2-CB 3.49Å; H286-H342 AromaticContact NE2-CG 3.63Å; H286-H342 AromaticContact NE2-ND1 3.13Å; H286-H342 PolarHBondContact NE2-ND1 3.01Å; H286-H342 VanDerWaalsContact NE2-ND1 3.13Å; R287-H342 HydrophobicContact CG-CB 4.45Å; R287-H342 PolarHBondContact NH1-CE1 3.46Å; R287-H342 PolarHBondContact NH1-NE2 3.47Å; D296-H342 IonicContact OD2-CD2 3.25Å; D296-H342 IonicContact OD2-NE2 2.84Å; D296-H342 PolarHBondContact OD2-NE2 3.18Å; H299-H342 AromaticContact CE1-CD2 4Å; H299-H342 AromaticContact CE1-NE2 3.47Å; H299-H342 PolarHBondContact CE1-NE2 3.03Å; H299-H342 AromaticContact ND1-CD2 3.81Å; H299-H342 AromaticContact ND1-NE2 3.56Å; H342-H344 PolarHBondContact O-CD2 3.35Å; H342-H344 PolarHBondContact O-N 3.12Å
343	E	96.5	Very high	97.6	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.009	4%	0.041	C	C	.	.	S	Bend	trans	-80.2	123.1	174.1	-56.7	-69.6	160.2	0	0	107.8	P288 C291 N293 D296 C300 G341 S345 V377 G379	P288-E343 HydrophobicContact CG-CG 3.84Å; C291-E343 HydrophobicContact CB-CG 3.95Å; N293-E343 WeakPolarHBondContact CB-OE2 3.42Å; N293-E343 VanDerWaalsContact CG-OE2 3.22Å; D296-E343 VanDerWaalsContact CB-OE1 3.29Å; D296-E343 WeakPolarHBondContact CB-OE1 3.24Å; C300-E343 PolarHBondContact SG-OE1 2.99Å; C300-E343 VanDerWaalsContact SG-OE1 3.39Å; G341-E343 PolarHBondContact O-N 2.81Å; E343-S345 PolarHBondContact O-N 2.82Å; E343-V377 HydrophobicContact CB-CG1 3.94Å; E343-G379 VanDerWaalsContact O-CA 3.32Å; E343-G379 WeakPolarHBondContact O-CA 3.45Å
344	H	96.5	Very high	97.4	Very high	9 Å²	9	12.9 Å²	12.9	4%	0.042	6%	0.059	C	C	.	.	S	Bend	trans	-75.4	59.9	-175.8	-59.8	160.5	0	0	0	112.2	D137 Y170 H342 G379 E385 G386 D388	D137-H344 IonicContact OD1-CD2 2.7Å; D137-H344 IonicContact OD1-NE2 2.81Å; Y170-H344 AromaticContact CE1-CE1 3.76Å; Y170-H344 AromaticContact CE1-NE2 3.75Å; Y170-H344 AromaticContact CZ-CE1 3.97Å; Y170-H344 AromaticContact CZ-NE2 3.61Å; Y170-H344 PolarHBondContact OH-CD2 2.83Å; Y170-H344 PolarHBondContact OH-CE1 3.25Å; Y170-H344 VanDerWaalsContact OH-CE1 3.31Å; Y170-H344 PolarHBondContact OH-NE2 3.19Å; H342-H344 PolarHBondContact O-CD2 3.35Å; H342-H344 PolarHBondContact O-N 3.12Å; H344-G379 WeakPolarHBondContact CA-O 3.49Å; H344-E385 VanDerWaalsContact CE1-CB 3.47Å; H344-E385 WeakPolarHBondContact CE1-CB 3.42Å; H344-E385 IonicContact CE1-OE2 3.17Å; H344-E385 PolarHBondContact CE1-OE2 3.38Å; H344-G386 VanDerWaalsContact CB-O 3.3Å; H344-G386 WeakPolarHBondContact CB-O 3.19Å; H344-G386 PolarHBondContact ND1-O 2.97Å; H344-D388 HydrophobicContact CB-CB 4.48Å; H344-D388 WeakPolarHBondContact CB-OD2 3.31Å; H344-D388 IonicContact CG-OD2 2.91Å; H344-D388 PolarHBondContact N-OD2 3.42Å; H344-D388 PolarHBondContact O-N 2.75Å; H344-D388 VanDerWaalsContact O-N 3.09Å
345	S	96.6	Very high	97.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	-161.4	170.8	-174.6	70.6	0	0	0	0	110.7	N293 E343 G379 F390	N293-S345 PolarHBondContact ND2-OG 2.87Å; E343-S345 PolarHBondContact O-N 2.82Å; S345-G379 PolarHBondContact O-N 3.47Å; S345-F390 VanDerWaalsContact CB-CZ 3.44Å; S345-F390 WeakPolarHBondContact OG-CZ 3.4Å
346	Y	98	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131	167.5	168.6	-95.4	0	0	0	109.6	R348 V377 F400 R401 T402 Q422 D435	Y346-R348 HydrophobicContact CE1-CB 4.3Å; Y346-V377 WeakPolarHBondContact CA-O 3.06Å; Y346-V377 WeakPolarHBondContact CD2-O 3.29Å; Y346-F400 AromaticContact CD1-CD1 3.91Å; Y346-F400 HydrophobicContact CD1-CD1 3.91Å; Y346-F400 HydrophobicContact CD1-CE1 4Å; Y346-F400 AromaticContact CE1-CD1 3.67Å; Y346-F400 HydrophobicContact CE1-CD1 3.67Å; Y346-F400 HydrophobicContact CE1-CE1 4.05Å; Y346-R401 CarbonylContact O-C 3.55Å; Y346-R401 VanDerWaalsContact O-CA 3.29Å; Y346-R401 WeakPolarHBondContact O-CA 3.17Å; Y346-T402 HydrophobicContact CD1-CG2 3.94Å; Y346-T402 HydrophobicContact CG-CG2 4.38Å; Y346-T402 PolarHBondContact N-O 2.86Å; Y346-T402 PolarHBondContact O-N 3.48Å; Y346-Q422 HydrophobicContact CD1-CB 3.99Å; Y346-Q422 HydrophobicContact CD1-CG 3.79Å; Y346-Q422 HydrophobicContact CD2-CB 4.13Å; Y346-Q422 VanDerWaalsContact CD2-CD 3.49Å; Y346-Q422 HydrophobicContact CD2-CG 3.89Å; Y346-Q422 HydrophobicContact CE1-CB 3.79Å; Y346-Q422 HydrophobicContact CE1-CG 4.14Å; Y346-Q422 HydrophobicContact CE2-CB 3.95Å; Y346-Q422 HydrophobicContact CE2-CG 4.24Å; Y346-Q422 HydrophobicContact CG-CB 4.14Å; Y346-Q422 HydrophobicContact CG-CG 3.63Å; Y346-D435 HydrophobicContact CE1-CB 3.72Å; Y346-D435 VanDerWaalsContact CE1-OD2 3.24Å; Y346-D435 WeakPolarHBondContact CE1-OD2 3.45Å; Y346-D435 PolarHBondContact OH-OD2 3.15Å
347	E	98.4	Very high	96.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	128.6	175	-172.5	167.8	-159.8	0	0	110.9	C291 S292 F349 I376 V377 F390 S398 F400 R401	C291-E347 WeakPolarHBondContact CA-OE2 3.4Å; S292-E347 WeakPolarHBondContact CB-OE1 3.46Å; S292-E347 PolarHBondContact N-OE2 3.36Å; S292-E347 VanDerWaalsContact OG-CD 3.23Å; S292-E347 PolarHBondContact OG-OE1 3.37Å; S292-E347 PolarHBondContact OG-OE2 3.05Å; E347-F349 HydrophobicContact CB-CE2 3.84Å; E347-F349 HydrophobicContact CB-CZ 3.91Å; E347-F349 HydrophobicContact CG-CD2 4.29Å; E347-F349 HydrophobicContact CG-CE1 4.01Å; E347-F349 HydrophobicContact CG-CE2 3.63Å; E347-F349 HydrophobicContact CG-CZ 3.44Å; E347-F349 VanDerWaalsContact CG-CZ 3.44Å; E347-F349 WeakPolarHBondContact O-CE2 3.46Å; E347-F349 WeakPolarHBondContact OE2-CZ 3.47Å; E347-I376 CarbonylContact O-C 3.59Å; E347-I376 VanDerWaalsContact O-CA 3.27Å; E347-I376 WeakPolarHBondContact O-CA 3.42Å; E347-V377 HydrophobicContact CB-CB 4.19Å; E347-V377 PolarHBondContact N-O 2.82Å; E347-V377 VanDerWaalsContact N-O 3.07Å; E347-V377 PolarHBondContact O-N 2.87Å; E347-F390 HydrophobicContact CB-CE1 4.36Å; E347-S398 WeakPolarHBondContact OE1-CB 3.16Å; E347-S398 PolarHBondContact OE1-OG 3.13Å; E347-F400 CarbonylContact C-O 3.2Å; E347-F400 WeakPolarHBondContact CA-O 3.16Å; E347-R401 HydrophobicContact CB-CB 4.32Å; E347-R401 HydrophobicContact CG-CB 4.02Å
348	R	98.4	Very high	96.4	Very high	25 Å²	25	21.7 Å²	21.7	9%	0.094	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.1	170.5	170.8	170.9	60.2	84.6	-7.7	109.6	Y346 Y367 A399 F400 D435 F437	Y346-R348 HydrophobicContact CE1-CB 4.3Å; R348-Y367 WeakPolarHBondContact CG-OH 3.44Å; R348-Y367 PolarHBondContact NH1-OH 3.36Å; R348-A399 HydrophobicContact CG-CB 4.4Å; R348-A399 WeakPolarHBondContact O-CA 3.37Å; R348-A399 WeakPolarHBondContact O-CB 3.38Å; R348-A399 PolarHBondContact O-N 3.23Å; R348-F400 HydrophobicContact CB-CB 4.34Å; R348-F400 PolarHBondContact N-O 2.85Å; R348-F400 PolarHBondContact O-N 3.19Å; R348-F400 VanDerWaalsContact O-N 3.15Å; R348-D435 WeakPolarHBondContact CD-OD2 3.26Å; R348-D435 IonicContact CZ-OD1 3.51Å; R348-D435 IonicContact CZ-OD2 3.76Å; R348-D435 IonicContact NE-OD1 3.71Å; R348-D435 PolarHBondContact NE-OD1 2.65Å; R348-D435 IonicContact NE-OD2 2.79Å; R348-D435 PolarHBondContact NE-OD2 3.04Å; R348-D435 IonicContact NH2-OD1 3.35Å; R348-D435 PolarHBondContact NH2-OD1 3.02Å; R348-D435 IonicContact NH2-OD2 4Å; R348-F437 VanDerWaalsContact CD-CG 3.5Å; R348-F437 HydrophobicContact CG-CD1 4.27Å; R348-F437 HydrophobicContact CG-CE1 3.99Å; R348-F437 HydrophobicContact CG-CZ 4.26Å
349	F	98	Very high	95.7	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	150.6	-176.7	-59.6	-99.6	0	0	0	110.6	Y290 E347 V352 Y367 H375 V377 W397	Y290-F349 VanDerWaalsContact CB-CE1 3.44Å; Y290-F349 WeakPolarHBondContact O-CZ 3.42Å; E347-F349 HydrophobicContact CB-CE2 3.84Å; E347-F349 HydrophobicContact CB-CZ 3.91Å; E347-F349 HydrophobicContact CG-CD2 4.29Å; E347-F349 HydrophobicContact CG-CE1 4.01Å; E347-F349 HydrophobicContact CG-CE2 3.63Å; E347-F349 HydrophobicContact CG-CZ 3.44Å; E347-F349 VanDerWaalsContact CG-CZ 3.44Å; E347-F349 WeakPolarHBondContact O-CE2 3.46Å; E347-F349 WeakPolarHBondContact OE2-CZ 3.47Å; F349-V352 HydrophobicContact CB-CG1 4.5Å; F349-Y367 WeakPolarHBondContact O-CE1 3.47Å; F349-Y367 PolarHBondContact O-OH 2.89Å; F349-H375 HydrophobicContact CB-CB 4.03Å; F349-H375 HydrophobicContact CD2-CB 3.74Å; F349-H375 VanDerWaalsContact CD2-O 3.24Å; F349-H375 WeakPolarHBondContact CD2-O 3.3Å; F349-H375 HydrophobicContact CE2-CB 4.47Å; F349-H375 HydrophobicContact CG-CB 3.91Å; F349-H375 PolarHBondContact N-O 2.87Å; F349-V377 HydrophobicContact CE2-CB 4.44Å; F349-V377 HydrophobicContact CE2-CG2 3.89Å; F349-V377 HydrophobicContact CZ-CG2 4.12Å; F349-W397 CarbonylContact C-O 3.49Å; F349-W397 VanDerWaalsContact CA-O 3.25Å; F349-W397 WeakPolarHBondContact CA-O 3.21Å; F349-W397 HydrophobicContact CD1-CB 4.49Å; F349-W397 AromaticContact CD1-CD1 3.41Å; F349-W397 VanDerWaalsContact CD1-CD1 3.41Å; F349-W397 HydrophobicContact CD1-CG 4.25Å; F349-W397 AromaticContact CE1-CD1 3.57Å; F349-W397 AromaticContact CE1-NE1 3.95Å
350	W	97.1	Very high	95	Very high	83 Å²	83	27.9 Å²	27.9	31%	0.314	14%	0.139	S	C	.	.			trans	-64.8	156.6	157.1	-59.5	119.1	0	0	0	109	V352 V357 P366 Y367 W397 A399	W350-V352 WeakPolarHBondContact O-CG1 3.37Å; W350-V352 PolarHBondContact O-N 3.1Å; W350-V352 VanDerWaalsContact O-N 3.12Å; W350-V357 HydrophobicContact CB-CG1 3.63Å; W350-V357 HydrophobicContact CB-CG2 4.2Å; W350-V357 HydrophobicContact CG-CG1 4.11Å; W350-P366 HydrophobicContact CE3-CB 4.1Å; W350-P366 HydrophobicContact CE3-CG 3.37Å; W350-P366 HydrophobicContact CH2-CG 4.34Å; W350-P366 HydrophobicContact CZ3-CB 4.41Å; W350-P366 HydrophobicContact CZ3-CG 3.25Å; W350-Y367 AromaticContact CE3-CE2 3.94Å; W350-Y367 HydrophobicContact CE3-CE2 3.94Å; W350-Y367 AromaticContact CE3-CZ 3.82Å; W350-Y367 AromaticContact CZ3-CE2 3.66Å; W350-Y367 HydrophobicContact CZ3-CE2 3.66Å; W350-W397 PolarHBondContact N-O 2.8Å; W350-A399 HydrophobicContact CD2-CB 3.49Å; W350-A399 VanDerWaalsContact CD2-CB 3.49Å; W350-A399 VanDerWaalsContact CE2-CB 3.41Å; W350-A399 HydrophobicContact CE3-CB 3.87Å; W350-A399 HydrophobicContact CG-CB 3.92Å; W350-A399 HydrophobicContact CH2-CB 4.13Å; W350-A399 HydrophobicContact CZ2-CB 3.77Å; W350-A399 HydrophobicContact CZ3-CB 4.15Å
351	P	97.2	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-50.9	124.9	167.9	-21.6	30.9	0	0	0	109.2	C358 P366 P370 A372 V374	P351-C358 HydrophobicContact CB-CB 4.44Å; P351-C358 PolarHBondContact O-N 2.89Å; P351-P366 HydrophobicContact CG-CB 4.43Å; P351-P366 WeakPolarHBondContact CG-O 3.42Å; P351-P370 HydrophobicContact CB-CB 3.9Å; P351-P370 HydrophobicContact CG-CB 3.53Å; P351-A372 HydrophobicContact CB-CB 4.17Å; P351-V374 HydrophobicContact CG-CG2 4.33Å
352	V	95.9	Very high	93.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	136.7	-168.7	59.3	0	0	0	0	109.1	Y290 F349 W350 T356 P373 W397	Y290-V352 HydrophobicContact CD1-CG2 4.47Å; Y290-V352 HydrophobicContact CD2-CG1 3.68Å; Y290-V352 HydrophobicContact CE1-CG2 3.85Å; Y290-V352 HydrophobicContact CE2-CB 4.44Å; Y290-V352 HydrophobicContact CE2-CG1 3.55Å; Y290-V352 HydrophobicContact CE2-CG2 4.13Å; Y290-V352 HydrophobicContact CG-CG1 4.23Å; F349-V352 HydrophobicContact CB-CG1 4.5Å; W350-V352 WeakPolarHBondContact O-CG1 3.37Å; W350-V352 PolarHBondContact O-N 3.1Å; W350-V352 VanDerWaalsContact O-N 3.12Å; V352-T356 WeakPolarHBondContact CA-O 3.48Å; V352-T356 WeakPolarHBondContact CG2-O 3.48Å; V352-P373 PolarHBondContact N-O 2.8Å; V352-W397 HydrophobicContact CB-CB 4.1Å; V352-W397 HydrophobicContact CG2-CB 3.83Å; V352-W397 HydrophobicContact CG2-CG 4.28Å
353	Y	95.3	Very high	93.4	Very high	22 Å²	22	37.5 Å²	37.5	9%	0.086	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	132.7	172.4	177.2	-119	0	0	0	109.1	E327 N328 Y331 R355 T356 C358 H452	E327-Y353 HydrophobicContact CG-CD2 3.75Å; E327-Y353 HydrophobicContact CG-CE2 3.9Å; E327-Y353 WeakPolarHBondContact OE1-CA 3.36Å; N328-Y353 PolarHBondContact OD1-OH 3Å; Y331-Y353 HydrophobicContact CD1-CE1 4.29Å; Y331-Y353 HydrophobicContact CD1-CE2 4.26Å; Y331-Y353 AromaticContact CD2-CD1 3.71Å; Y331-Y353 HydrophobicContact CD2-CD1 3.71Å; Y331-Y353 AromaticContact CD2-CD2 3.39Å; Y331-Y353 HydrophobicContact CD2-CD2 3.39Å; Y331-Y353 HydrophobicContact CD2-CE1 4.16Å; Y331-Y353 AromaticContact CD2-CE2 3.82Å; Y331-Y353 HydrophobicContact CD2-CE2 3.82Å; Y331-Y353 AromaticContact CD2-CG 3.35Å; Y331-Y353 HydrophobicContact CD2-CG 3.35Å; Y331-Y353 HydrophobicContact CE1-CD1 4.48Å; Y331-Y353 HydrophobicContact CE1-CE1 4.29Å; Y331-Y353 AromaticContact CE2-CD1 3.56Å; Y331-Y353 HydrophobicContact CE2-CD1 3.56Å; Y331-Y353 HydrophobicContact CE2-CD2 4.11Å; Y331-Y353 HydrophobicContact CE2-CE1 4.16Å; Y331-Y353 AromaticContact CE2-CG 3.58Å; Y331-Y353 HydrophobicContact CE2-CG 3.58Å; Y331-Y353 HydrophobicContact CG-CD1 4.24Å; Y331-Y353 AromaticContact CG-CD2 3.71Å; Y331-Y353 HydrophobicContact CG-CD2 3.71Å; Y331-Y353 HydrophobicContact CG-CE1 4.23Å; Y331-Y353 AromaticContact CG-CE2 3.62Å; Y331-Y353 HydrophobicContact CG-CE2 3.62Å; Y331-Y353 HydrophobicContact CG-CG 4.04Å; Y331-Y353 AromaticContact CG-CZ 3.92Å; Y331-Y353 AromaticContact CZ-CD1 3.97Å; Y353-R355 VanDerWaalsContact C-N 3.29Å; Y353-R355 PolarHBondContact O-N 2.94Å; Y353-T356 PolarHBondContact N-O 3.34Å; Y353-T356 VanDerWaalsContact N-O 3.08Å; Y353-T356 PolarHBondContact O-N 3.36Å; Y353-T356 VanDerWaalsContact O-N 3.07Å; Y353-C358 PolarHBondContact N-SG 2.9Å; Y353-H452 HydrophobicContact CD1-CB 4.42Å; Y353-H452 AromaticContact CD1-CD2 3.45Å; Y353-H452 VanDerWaalsContact CD1-CD2 3.45Å; Y353-H452 WeakPolarHBondContact CD1-CD2 3.42Å; Y353-H452 HydrophobicContact CE1-CB 4.4Å; Y353-H452 AromaticContact CE1-CD2 3.95Å; Y353-H452 PolarHBondContact O-NE2 3.19Å
354	N	92.6	Very high	93.2	Very high	90 Å²	90	47 Å²	47	48%	0.481	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	52.1	-176.5	-169.5	26.6	0	0	0	112.1	Y290 E327 T356	Y290-N354 PolarHBondContact OH-N 3.13Å; E327-N354 PolarHBondContact OE1-N 3.06Å; N354-T356 PolarHBondContact O-N 2.86Å; N354-T356 PolarHBondContact O-OG1 3.28Å
355	R	92.5	Very high	93.2	Very high	76 Å²	76	49.6 Å²	49.6	29%	0.287	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	17.1	178.1	-53.2	176.5	71.7	-149.4	3.5	115	Y290 E303 Y353 W397	Y290-R355 HydrophobicContact CE1-CG 4.09Å; Y290-R355 PolarHBondContact OH-N 3.12Å; E303-R355 IonicContact OE1-NH1 3.49Å; E303-R355 PolarHBondContact OE1-NH1 3.49Å; Y353-R355 VanDerWaalsContact C-N 3.29Å; Y353-R355 PolarHBondContact O-N 2.94Å; R355-W397 HydrophobicContact CB-CE3 4.3Å; R355-W397 HydrophobicContact CB-CH2 4.12Å; R355-W397 HydrophobicContact CB-CZ3 3.66Å; R355-W397 HydrophobicContact CG-CH2 4.32Å; R355-W397 HydrophobicContact CG-CZ3 4.34Å; R355-W397 WeakPolarHBondContact O-CZ3 3.38Å
356	T	93.1	Very high	93.1	Very high	64 Å²	64	50.7 Å²	50.7	39%	0.393	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.1	178.1	-54.4	0	0	0	0	109.6	V352 Y353 N354 C358 H452	V352-T356 WeakPolarHBondContact CA-O 3.48Å; V352-T356 WeakPolarHBondContact CG2-O 3.48Å; Y353-T356 PolarHBondContact N-O 3.34Å; Y353-T356 VanDerWaalsContact N-O 3.08Å; Y353-T356 PolarHBondContact O-N 3.36Å; Y353-T356 VanDerWaalsContact O-N 3.07Å; N354-T356 PolarHBondContact O-N 2.86Å; N354-T356 PolarHBondContact O-OG1 3.28Å; T356-C358 PolarHBondContact O-N 3.42Å; T356-C358 PolarHBondContact O-SG 2.92Å; T356-H452 WeakPolarHBondContact CB-CE1 3.42Å; T356-H452 VanDerWaalsContact CB-NE2 3.32Å; T356-H452 WeakPolarHBondContact CB-NE2 3.24Å; T356-H452 PolarHBondContact OG1-CE1 2.91Å; T356-H452 VanDerWaalsContact OG1-CE1 3.24Å; T356-H452 PolarHBondContact OG1-NE2 3.21Å
357	V	94.3	Very high	93.1	Very high	40 Å²	40	51.1 Å²	51.1	24%	0.242	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126	173.6	176	0	0	0	0	109.4	W350 P396 W397	W350-V357 HydrophobicContact CB-CG1 3.63Å; W350-V357 HydrophobicContact CB-CG2 4.2Å; W350-V357 HydrophobicContact CG-CG1 4.11Å; V357-P396 WeakPolarHBondContact CG2-O 3.47Å; V357-W397 HydrophobicContact CG2-CB 3.93Å
358	C	92.8	Very high	93	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.034	28%	0.282	C	S	.	.			trans	-102	93	-177.2	-51.5	0	0	0	0	108.4	P351 Y353 T356 D371 A372 C451	P351-C358 HydrophobicContact CB-CB 4.44Å; P351-C358 PolarHBondContact O-N 2.89Å; Y353-C358 PolarHBondContact N-SG 2.9Å; T356-C358 PolarHBondContact O-N 3.42Å; T356-C358 PolarHBondContact O-SG 2.92Å; C358-D371 HydrophobicContact CB-CB 4.25Å; C358-A372 HydrophobicContact CB-CB 3.81Å; C358-A372 VanDerWaalsContact SG-CB 3.54Å; C358-C451 HydrophobicContact CB-CB 3.57Å; C358-C451 WeakPolarHBondContact CB-SG 3.36Å; C358-C451 WeakPolarHBondContact SG-CB 3.22Å; C358-C451 CovalentContact SG-SG 2.02Å; C358-C451 PolarHBondContact SG-SG 2.9Å
359	N	85.1	Confident	92.9	Very high	122 Å²	122	54.7 Å²	54.7	65%	0.652	29%	0.286	S	S	*	.			trans	-63.7	138.6	176.6	-66.2	-28.7	0	0	0	110.2	T361	N359-T361 PolarHBondContact O-N 2.86Å
360	S	84	Confident	92.8	Very high	18 Å²	18	54.9 Å²	54.9	13%	0.126	29%	0.288	C	S	.	.			trans	-58.9	130.6	174	178	0	0	0	0	110.3	T362 S363 E368 D371	S360-T362 VanDerWaalsContact C-N 3.26Å; S360-T362 PolarHBondContact OG-N 3.22Å; S360-T362 PolarHBondContact OG-OG1 2.98Å; S360-S363 PolarHBondContact OG-N 3.13Å; S360-E368 PolarHBondContact OG-O 2.93Å; S360-D371 WeakPolarHBondContact CA-OD2 3.33Å
361	T	82.9	Confident	92.7	Very high	105 Å²	105	51.3 Å²	51.3	64%	0.644	28%	0.275	S	S	*	.	S	Bend	trans	-80.6	-7.5	174	50.8	0	0	0	0	113.2	N359 D371	N359-T361 PolarHBondContact O-N 2.86Å; T361-D371 WeakPolarHBondContact CB-OD2 3.48Å; T361-D371 VanDerWaalsContact CG2-OD2 3.3Å; T361-D371 WeakPolarHBondContact CG2-OD2 3.27Å; T361-D371 PolarHBondContact N-OD2 2.85Å; T361-D371 PolarHBondContact OG1-OD2 3.42Å
362	T	86.8	Confident	92.6	Very high	93 Å²	93	51.3 Å²	51.3	57%	0.571	28%	0.275	S	S	*	.	S	Bend	trans	-121.4	-16.1	-171.2	63.2	0	0	0	0	114.8	S360 N369	S360-T362 VanDerWaalsContact C-N 3.26Å; S360-T362 PolarHBondContact OG-N 3.22Å; S360-T362 PolarHBondContact OG-OG1 2.98Å; T362-N369 WeakPolarHBondContact OG1-CB 3.47Å
363	S	90.2	Very high	92.7	Very high	32 Å²	32	51.5 Å²	51.5	22%	0.224	28%	0.276	C	S	.	.			trans	-145.1	154.1	-179.5	-177.1	0	0	0	0	112	S360 N365 E368	S360-S363 PolarHBondContact OG-N 3.13Å; S363-N365 PolarHBondContact OG-N 2.9Å; S363-N365 VanDerWaalsContact OG-N 3.09Å; S363-E368 VanDerWaalsContact CB-OE2 3.31Å; S363-E368 WeakPolarHBondContact CB-OE2 3.44Å; S363-E368 PolarHBondContact OG-OE2 2.86Å
364	E	92.5	Very high	92.8	Very high	203 Å²	203	50.4 Å²	50.4	95%	0.949	27%	0.272	S	S	*	.	S	Bend	trans	-69.4	-24.3	167.9	-66.7	-174.5	172.3	0	0	111.9	P366	E364-P366 WeakPolarHBondContact O-CD 3.11Å
365	N	95	Very high	93.1	Very high	62 Å²	62	46.6 Å²	46.6	33%	0.332	25%	0.251	S	S	.	.	S	Bend	trans	-81.9	114	172.2	180	6.3	0	0	0	109.1	S363 Y367 E368	S363-N365 PolarHBondContact OG-N 2.9Å; S363-N365 VanDerWaalsContact OG-N 3.09Å; N365-Y367 PolarHBondContact O-N 2.8Å; N365-Y367 VanDerWaalsContact O-N 3.08Å; N365-Y367 PolarHBondContact OD1-N 2.86Å; N365-Y367 VanDerWaalsContact OD1-N 3.1Å; N365-E368 HydrophobicContact CB-CB 4.16Å; N365-E368 PolarHBondContact O-N 2.93Å
366	P	95	Very high	93.4	Very high	24 Å²	24	43 Å²	43	16%	0.156	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.6	-178.1	26.5	-33.9	0	0	0	113.3	W350 P351 E364	W350-P366 HydrophobicContact CE3-CB 4.1Å; W350-P366 HydrophobicContact CE3-CG 3.37Å; W350-P366 HydrophobicContact CH2-CG 4.34Å; W350-P366 HydrophobicContact CZ3-CB 4.41Å; W350-P366 HydrophobicContact CZ3-CG 3.25Å; P351-P366 HydrophobicContact CG-CB 4.43Å; P351-P366 WeakPolarHBondContact CG-O 3.42Å; E364-P366 WeakPolarHBondContact O-CD 3.11Å
367	Y	97.1	Very high	93.7	Very high	9 Å²	9	40 Å²	40	4%	0.035	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0.1	175.6	-57.1	-69.1	0	0	0	113.7	R348 F349 W350 N365 V374 A399 F437 T438 I439 I440	R348-Y367 WeakPolarHBondContact CG-OH 3.44Å; R348-Y367 PolarHBondContact NH1-OH 3.36Å; F349-Y367 WeakPolarHBondContact O-CE1 3.47Å; F349-Y367 PolarHBondContact O-OH 2.89Å; W350-Y367 AromaticContact CE3-CE2 3.94Å; W350-Y367 HydrophobicContact CE3-CE2 3.94Å; W350-Y367 AromaticContact CE3-CZ 3.82Å; W350-Y367 AromaticContact CZ3-CE2 3.66Å; W350-Y367 HydrophobicContact CZ3-CE2 3.66Å; N365-Y367 PolarHBondContact O-N 2.8Å; N365-Y367 VanDerWaalsContact O-N 3.08Å; N365-Y367 PolarHBondContact OD1-N 2.86Å; N365-Y367 VanDerWaalsContact OD1-N 3.1Å; Y367-V374 HydrophobicContact CD1-CG1 4.36Å; Y367-V374 HydrophobicContact CD1-CG2 3.98Å; Y367-V374 HydrophobicContact CE1-CG1 3.99Å; Y367-V374 HydrophobicContact CE1-CG2 4.25Å; Y367-A399 WeakPolarHBondContact OH-CB 3.46Å; Y367-F437 AromaticContact CD1-CD2 3.75Å; Y367-F437 HydrophobicContact CD1-CD2 3.75Å; Y367-F437 HydrophobicContact CD1-CE2 4.05Å; Y367-F437 HydrophobicContact CD2-CB 4.31Å; Y367-F437 HydrophobicContact CD2-CD2 4.23Å; Y367-F437 AromaticContact CE1-CD2 3.93Å; Y367-F437 HydrophobicContact CE1-CD2 3.93Å; Y367-F437 HydrophobicContact CE1-CE2 4.07Å; Y367-F437 HydrophobicContact CE2-CB 4.4Å; Y367-F437 HydrophobicContact CE2-CD2 4.37Å; Y367-F437 AromaticContact CG-CD2 3.92Å; Y367-F437 HydrophobicContact CG-CD2 3.92Å; Y367-T438 VanDerWaalsContact CB-O 3.3Å; Y367-T438 WeakPolarHBondContact CB-O 3.41Å; Y367-I439 WeakPolarHBondContact O-CA 3.41Å; Y367-I440 PolarHBondContact O-N 3.21Å
368	E	96.8	Very high	93.8	Very high	65 Å²	65	38.1 Å²	38.1	30%	0.304	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-98.4	115.9	171.1	-177.3	177.8	-176.1	0	0	109.8	S360 S363 N365 I440	S360-E368 PolarHBondContact OG-O 2.93Å; S363-E368 VanDerWaalsContact CB-OE2 3.31Å; S363-E368 WeakPolarHBondContact CB-OE2 3.44Å; S363-E368 PolarHBondContact OG-OE2 2.86Å; N365-E368 HydrophobicContact CB-CB 4.16Å; N365-E368 PolarHBondContact O-N 2.93Å; E368-I440 HydrophobicContact CB-CB 4.4Å; E368-I440 HydrophobicContact CG-CB 4.28Å; E368-I440 HydrophobicContact CG-CG2 4.39Å
369	N	96.1	Very high	94.1	Very high	34 Å²	34	38 Å²	38	18%	0.182	21%	0.207	C	C	.	.	S	Bend	trans	45.6	61.6	-169.8	-65.7	-52	0	0	0	111.7	T362 I440 K441 D442	T362-N369 WeakPolarHBondContact OG1-CB 3.47Å; N369-I440 PolarHBondContact N-O 3.46Å; N369-K441 WeakPolarHBondContact OD1-CA 3.47Å; N369-D442 PolarHBondContact ND2-OD2 3.26Å; N369-D442 PolarHBondContact OD1-N 2.83Å
370	P	96	Very high	94.6	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.032	18%	0.176	C	C	.	.			trans	-61.2	140.6	-176.3	27.5	-36.3	0	0	0	111.4	P351 A372 V374 I439 Y449	P351-P370 HydrophobicContact CB-CB 3.9Å; P351-P370 HydrophobicContact CG-CB 3.53Å; P370-A372 PolarHBondContact O-N 3.41Å; P370-V374 HydrophobicContact CB-CG2 4.41Å; P370-V374 HydrophobicContact CG-CG2 4.37Å; P370-I439 HydrophobicContact CG-CG2 4.21Å; P370-Y449 VanDerWaalsContact O-CD1 3.28Å; P370-Y449 WeakPolarHBondContact O-CD1 3.34Å; P370-Y449 VanDerWaalsContact O-CE1 3.26Å; P370-Y449 WeakPolarHBondContact O-CE1 3.16Å
371	D	94.7	Very high	95.2	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.048	17%	0.17	C	C	.	.	S	Bend	trans	-85.3	8.9	-178.1	-81.7	-54.6	0	0	0	113.9	C358 S360 T361 Y449 T450 C451	C358-D371 HydrophobicContact CB-CB 4.25Å; S360-D371 WeakPolarHBondContact CA-OD2 3.33Å; T361-D371 WeakPolarHBondContact CB-OD2 3.48Å; T361-D371 VanDerWaalsContact CG2-OD2 3.3Å; T361-D371 WeakPolarHBondContact CG2-OD2 3.27Å; T361-D371 PolarHBondContact N-OD2 2.85Å; T361-D371 PolarHBondContact OG1-OD2 3.42Å; D371-Y449 VanDerWaalsContact O-CB 3.29Å; D371-Y449 WeakPolarHBondContact O-CB 3.38Å; D371-T450 PolarHBondContact O-N 2.56Å; D371-T450 PolarHBondContact OD1-OG1 2.94Å; D371-C451 WeakPolarHBondContact O-CB 3.26Å; D371-C451 PolarHBondContact O-N 2.93Å
372	A	96.5	Very high	95.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-156.6	166.1	172	0	0	0	0	0	110	Y331 P351 C358 P370 Y449 C451	Y331-A372 HydrophobicContact CD2-CB 4.45Å; Y331-A372 HydrophobicContact CE2-CB 4.21Å; P351-A372 HydrophobicContact CB-CB 4.17Å; C358-A372 HydrophobicContact CB-CB 3.81Å; C358-A372 VanDerWaalsContact SG-CB 3.54Å; P370-A372 PolarHBondContact O-N 3.41Å; A372-Y449 VanDerWaalsContact C-CE1 3.45Å; A372-Y449 VanDerWaalsContact N-CD1 3.31Å; A372-C451 HydrophobicContact CB-CB 4.46Å
373	P	97.4	Very high	95.8	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.019	11%	0.114	C	C	.	.			trans	-54.7	147.6	169.9	-25.2	35	0	0	0	112.5	V335 I338 V352 Y449	V335-P373 VanDerWaalsContact O-CB 3.29Å; V335-P373 WeakPolarHBondContact O-CB 3.32Å; V335-P373 WeakPolarHBondContact O-CG 3.22Å; I338-P373 HydrophobicContact CD1-CB 3.77Å; I338-P373 HydrophobicContact CD1-CG 4.43Å; V352-P373 PolarHBondContact N-O 2.8Å; P373-Y449 HydrophobicContact CG-CD2 4.3Å; P373-Y449 HydrophobicContact CG-CE2 3.66Å
374	V	98.1	Very high	95.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.4	169.8	-179.5	0	0	0	0	109	D336 L337 I338 P351 Y367 P370 F437 I439	D336-V374 PolarHBondContact O-N 3.4Å; L337-V374 CarbonylContact C-O 3.5Å; L337-V374 WeakPolarHBondContact CA-O 3.26Å; L337-V374 HydrophobicContact CD1-CB 4.31Å; L337-V374 HydrophobicContact CD1-CG1 4.22Å; I338-V374 PolarHBondContact N-O 2.66Å; P351-V374 HydrophobicContact CG-CG2 4.33Å; Y367-V374 HydrophobicContact CD1-CG1 4.36Å; Y367-V374 HydrophobicContact CD1-CG2 3.98Å; Y367-V374 HydrophobicContact CE1-CG1 3.99Å; Y367-V374 HydrophobicContact CE1-CG2 4.25Å; P370-V374 HydrophobicContact CB-CG2 4.41Å; P370-V374 HydrophobicContact CG-CG2 4.37Å; V374-F437 HydrophobicContact CG1-CE2 3.95Å; V374-F437 HydrophobicContact CG1-CZ 4.26Å; V374-I439 HydrophobicContact CB-CD1 3.71Å; V374-I439 HydrophobicContact CG1-CD1 4.06Å; V374-I439 HydrophobicContact CG2-CD1 3.8Å; V374-I439 HydrophobicContact CG2-CG1 4.19Å
375	H	98.6	Very high	95.8	Very high	9 Å²	9	20.3 Å²	20.3	4%	0.042	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	150.5	174.1	-66.4	-109.1	0	0	0	110.3	Y290 I338 F349	Y290-H375 AromaticContact CD2-CD2 3.98Å; Y290-H375 AromaticContact CD2-CE1 3.78Å; Y290-H375 AromaticContact CD2-CG 3.97Å; Y290-H375 AromaticContact CD2-ND1 3.86Å; Y290-H375 AromaticContact CD2-NE2 3.86Å; Y290-H375 AromaticContact CE2-CE1 4Å; Y290-H375 AromaticContact CE2-NE2 3.81Å; I338-H375 WeakPolarHBondContact CD1-CE1 3.19Å; I338-H375 CarbonylContact O-C 3.32Å; I338-H375 VanDerWaalsContact O-CA 3.31Å; I338-H375 WeakPolarHBondContact O-CA 3.18Å; F349-H375 HydrophobicContact CB-CB 4.03Å; F349-H375 HydrophobicContact CD2-CB 3.74Å; F349-H375 VanDerWaalsContact CD2-O 3.24Å; F349-H375 WeakPolarHBondContact CD2-O 3.3Å; F349-H375 HydrophobicContact CE2-CB 4.47Å; F349-H375 HydrophobicContact CG-CB 3.91Å; F349-H375 PolarHBondContact N-O 2.87Å
376	I	98.6	Very high	95.6	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.4	162	64.3	174.6	0	0	0	110.4	L337 I338 I339 A340 E347 T408 I420 F437	L337-I376 HydrophobicContact CD1-CG1 4.26Å; L337-I376 HydrophobicContact CD1-CG2 4.29Å; I338-I376 PolarHBondContact O-N 3.27Å; I339-I376 WeakPolarHBondContact CA-O 3.25Å; I339-I376 HydrophobicContact CB-CD1 4.41Å; I339-I376 HydrophobicContact CB-CG1 4.05Å; I339-I376 HydrophobicContact CD1-CD1 4.1Å; I339-I376 HydrophobicContact CG1-CD1 3.89Å; I339-I376 HydrophobicContact CG1-CG1 3.81Å; I339-I376 HydrophobicContact CG2-CD1 3.99Å; I339-I376 HydrophobicContact CG2-CG1 3.86Å; A340-I376 PolarHBondContact N-O 2.71Å; E347-I376 CarbonylContact O-C 3.59Å; E347-I376 VanDerWaalsContact O-CA 3.27Å; E347-I376 WeakPolarHBondContact O-CA 3.42Å; I376-T408 HydrophobicContact CD1-CG2 4.12Å; I376-I420 HydrophobicContact CD1-CG2 4.34Å; I376-F437 HydrophobicContact CG2-CE1 4.17Å; I376-F437 HydrophobicContact CG2-CZ 3.85Å
377	V	98.4	Very high	95.5	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.6	165	170	0	0	0	0	107.5	P288 A340 E343 Y346 E347 F349	P288-V377 HydrophobicContact CB-CG2 3.85Å; P288-V377 HydrophobicContact CG-CG2 4.39Å; A340-V377 HydrophobicContact CB-CG2 4.39Å; A340-V377 CarbonylContact O-C 3.58Å; A340-V377 WeakPolarHBondContact O-CA 3.46Å; E343-V377 HydrophobicContact CB-CG1 3.94Å; Y346-V377 WeakPolarHBondContact CA-O 3.06Å; Y346-V377 WeakPolarHBondContact CD2-O 3.29Å; E347-V377 HydrophobicContact CB-CB 4.19Å; E347-V377 PolarHBondContact N-O 2.82Å; E347-V377 VanDerWaalsContact N-O 3.07Å; E347-V377 PolarHBondContact O-N 2.87Å; F349-V377 HydrophobicContact CE2-CB 4.44Å; F349-V377 HydrophobicContact CE2-CG2 3.89Å; F349-V377 HydrophobicContact CZ-CG2 4.12Å
378	S	98.2	Very high	95.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	44.1	-177.9	-161	0	0	0	0	111	V134 Y135 G136 A340 A380 T408	V134-S378 PolarHBondContact O-OG 3.14Å; Y135-S378 CarbonylContact C-O 3.56Å; Y135-S378 WeakPolarHBondContact CA-O 3.45Å; G136-S378 PolarHBondContact N-O 3.25Å; A340-S378 PolarHBondContact O-N 2.95Å; S378-A380 VanDerWaalsContact C-N 3.28Å; S378-A380 PolarHBondContact O-N 3.41Å; S378-T408 WeakPolarHBondContact OG-CB 3.45Å; S378-T408 PolarHBondContact OG-OG1 3.22Å
379	G	97.6	Very high	95	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	12%	0.121	C	C	.	.			trans	-88.6	18.8	179.8	0	0	0	0	0	114.2	D137 E343 H344 S345 A381	D137-G379 WeakPolarHBondContact CB-O 3.04Å; D137-G379 WeakPolarHBondContact OD2-CA 3.38Å; E343-G379 VanDerWaalsContact O-CA 3.32Å; E343-G379 WeakPolarHBondContact O-CA 3.45Å; H344-G379 WeakPolarHBondContact CA-O 3.49Å; S345-G379 PolarHBondContact O-N 3.47Å; G379-A381 PolarHBondContact O-N 2.88Å
380	A	96.2	Very high	94.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.			trans	-94.9	23.6	-171.8	0	0	0	0	0	114.2	S378 G382 F405 G406	S378-A380 VanDerWaalsContact C-N 3.28Å; S378-A380 PolarHBondContact O-N 3.41Å; A380-G382 PolarHBondContact O-N 3.09Å; A380-F405 CarbonylContact O-C 3.58Å; A380-F405 VanDerWaalsContact O-CA 3.24Å; A380-F405 WeakPolarHBondContact O-CA 3.26Å; A380-F405 WeakPolarHBondContact O-CD1 3.4Å; A380-G406 CarbonylContact C-O 3.58Å; A380-G406 PolarHBondContact O-N 3.27Å
381	A	96.9	Very high	94.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-64.8	-25.2	-175.5	0	0	0	0	0	113.3	Y135 G136 M138 S145 G379 G406	Y135-A381 HydrophobicContact CD2-CB 4.23Å; Y135-A381 HydrophobicContact CG-CB 4.44Å; G136-A381 WeakPolarHBondContact O-CB 3.41Å; M138-A381 HydrophobicContact CB-CB 3.73Å; M138-A381 HydrophobicContact CE-CB 4.22Å; M138-A381 HydrophobicContact CG-CB 4.22Å; S145-A381 WeakPolarHBondContact CB-O 3.26Å; S145-A381 PolarHBondContact N-O 2.91Å; S145-A381 WeakPolarHBondContact OG-CA 3.46Å; S145-A381 PolarHBondContact OG-O 2.84Å; G379-A381 PolarHBondContact O-N 2.88Å; A381-G406 PolarHBondContact N-O 2.91Å
382	G	89.5	Confident	94.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	17%	0.17	C	C	.	.			trans	103.1	79.9	169.5	0	0	0	0	0	112.5	D137 D142 A143 L144 A380 F405	D137-G382 PolarHBondContact O-N 3.28Å; D142-G382 CarbonylContact C-O 3.55Å; A143-G382 WeakPolarHBondContact CA-O 3.43Å; A143-G382 PolarHBondContact N-O 3.32Å; L144-G382 PolarHBondContact N-O 2.88Å; A380-G382 PolarHBondContact O-N 3.09Å; G382-F405 VanDerWaalsContact CA-CD1 3.46Å
383	S	91.6	Very high	93.9	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.042	20%	0.196	C	C	.	.			trans	-87.4	178.8	171.8	65.6	0	0	0	0	113.2	D137 Y170 E385	D137-S383 PolarHBondContact O-N 3.5Å; Y170-S383 WeakPolarHBondContact OH-CB 3.38Å; Y170-S383 PolarHBondContact OH-OG 2.82Å; S383-E385 VanDerWaalsContact C-N 3.26Å; S383-E385 PolarHBondContact O-N 3.43Å; S383-E385 PolarHBondContact OG-N 3.5Å
384	D	90.9	Very high	93.6	Very high	83 Å²	83	38 Å²	38	44%	0.444	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.9	175.8	59.9	-5.1	0	0	0	114.2	T141 D142 G386	T141-D384 PolarHBondContact OG1-OD2 3.26Å; D142-D384 HydrophobicContact CB-CB 4.4Å; D384-G386 VanDerWaalsContact C-N 3.31Å
385	E	92.4	Very high	93.3	Very high	113 Å²	113	39.8 Å²	39.8	53%	0.528	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.3	172.5	-69.3	-164.9	173.6	0	0	113.3	Y170 H203 H344 S383	Y170-E385 HydrophobicContact CD1-CB 4.45Å; Y170-E385 HydrophobicContact CD1-CG 3.65Å; Y170-E385 HydrophobicContact CE1-CB 4.01Å; Y170-E385 HydrophobicContact CE1-CG 3.66Å; H203-E385 IonicContact CE1-OE1 2.95Å; H203-E385 PolarHBondContact CE1-OE1 3.03Å; H203-E385 VanDerWaalsContact CE1-OE1 3.23Å; H203-E385 IonicContact NE2-OE1 2.65Å; H344-E385 VanDerWaalsContact CE1-CB 3.47Å; H344-E385 WeakPolarHBondContact CE1-CB 3.42Å; H344-E385 IonicContact CE1-OE2 3.17Å; H344-E385 PolarHBondContact CE1-OE2 3.38Å; S383-E385 VanDerWaalsContact C-N 3.26Å; S383-E385 PolarHBondContact O-N 3.43Å; S383-E385 PolarHBondContact OG-N 3.5Å
386	G	91.3	Very high	93	Very high	26 Å²	26	44.2 Å²	44.2	27%	0.268	24%	0.241	S	C	.	.			trans	88	-147.5	172.3	0	0	0	0	0	113.8	H344 D384	H344-G386 VanDerWaalsContact CB-O 3.3Å; H344-G386 WeakPolarHBondContact CB-O 3.19Å; H344-G386 PolarHBondContact ND1-O 2.97Å; D384-G386 VanDerWaalsContact C-N 3.31Å
387	K	92.3	Very high	92.8	Very high	79 Å²	79	44.7 Å²	44.7	34%	0.343	24%	0.242	S	C	.	.			trans	-116.5	140.5	-172.4	-63.7	172.5	170.9	-159.5	0	110.8	T403 F405 E426	K387-T403 WeakPolarHBondContact CD-O 3.43Å; K387-T403 WeakPolarHBondContact CE-O 3.23Å; K387-T403 PolarHBondContact NZ-O 2.78Å; K387-F405 HydrophobicContact CB-CZ 4.48Å; K387-F405 HydrophobicContact CD-CD2 4.41Å; K387-F405 HydrophobicContact CD-CE2 3.99Å; K387-F405 HydrophobicContact CD-CZ 4.14Å; K387-F405 HydrophobicContact CG-CD1 4.35Å; K387-F405 HydrophobicContact CG-CD2 4.31Å; K387-F405 HydrophobicContact CG-CE1 3.62Å; K387-F405 HydrophobicContact CG-CE2 3.63Å; K387-F405 HydrophobicContact CG-CZ 3.26Å; K387-E426 WeakPolarHBondContact CE-OE1 3.37Å; K387-E426 IonicContact NZ-OE1 3.77Å; K387-E426 PolarHBondContact NZ-OE1 3.17Å; K387-E426 IonicContact NZ-OE2 2.59Å; K387-E426 PolarHBondContact NZ-OE2 2.89Å
388	D	90.9	Very high	92.7	Very high	33 Å²	33	45.2 Å²	45.2	18%	0.176	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-89.7	126.9	170.7	-69.7	-43.4	0	0	0	111.4	N293 H344 T403	N293-D388 HydrophobicContact CB-CB 4.26Å; N293-D388 VanDerWaalsContact ND2-CB 3.27Å; N293-D388 WeakPolarHBondContact ND2-CB 3.46Å; H344-D388 HydrophobicContact CB-CB 4.48Å; H344-D388 WeakPolarHBondContact CB-OD2 3.31Å; H344-D388 IonicContact CG-OD2 2.91Å; H344-D388 PolarHBondContact N-OD2 3.42Å; H344-D388 PolarHBondContact O-N 2.75Å; H344-D388 VanDerWaalsContact O-N 3.09Å; D388-T403 VanDerWaalsContact O-CG2 3.24Å; D388-T403 WeakPolarHBondContact O-CG2 3.49Å
389	T	93.1	Very high	92.6	Very high	62 Å²	62	46.6 Å²	46.6	38%	0.38	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-83.7	161.6	175	57.6	0	0	0	0	111.3	N293 N294 F295	N293-T389 CarbonylContact C-O 3.54Å; N293-T389 VanDerWaalsContact CA-O 3.26Å; N293-T389 WeakPolarHBondContact CA-O 3.37Å; N294-T389 PolarHBondContact N-O 3.05Å; N294-T389 PolarHBondContact ND2-OG1 2.91Å; N294-T389 VanDerWaalsContact OD1-C 3.32Å; N294-T389 PolarHBondContact OD1-O 2.95Å; N294-T389 PolarHBondContact OD1-OG1 2.76Å; F295-T389 VanDerWaalsContact CE2-OG1 3.32Å; F295-T389 WeakPolarHBondContact CE2-OG1 3.25Å
390	F	94.2	Very high	92.6	Very high	34 Å²	34	49.5 Å²	49.5	15%	0.149	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-100	153.4	-179.5	-63.1	-80.4	0	0	0	112.1	S292 S345 E347 R401 T403	S292-F390 WeakPolarHBondContact O-CA 3.24Å; S292-F390 WeakPolarHBondContact OG-CD1 3.02Å; S345-F390 VanDerWaalsContact CB-CZ 3.44Å; S345-F390 WeakPolarHBondContact OG-CZ 3.4Å; E347-F390 HydrophobicContact CB-CE1 4.36Å; F390-R401 HydrophobicContact CD1-CB 4.2Å; F390-R401 HydrophobicContact CD1-CG 4.29Å; F390-R401 HydrophobicContact CD2-CB 4.28Å; F390-R401 HydrophobicContact CD2-CG 4.08Å; F390-R401 HydrophobicContact CE1-CB 3.77Å; F390-R401 HydrophobicContact CE1-CG 4.35Å; F390-R401 HydrophobicContact CE2-CB 3.88Å; F390-R401 HydrophobicContact CE2-CG 4.15Å; F390-R401 HydrophobicContact CG-CB 4.43Å; F390-R401 HydrophobicContact CG-CG 4.14Å; F390-R401 HydrophobicContact CZ-CB 3.59Å; F390-R401 HydrophobicContact CZ-CG 4.27Å; F390-T403 HydrophobicContact CD2-CG2 3.89Å; F390-T403 HydrophobicContact CE2-CG2 3.71Å
391	I	92	Very high	92.7	Very high	42 Å²	42	53.2 Å²	53.2	22%	0.215	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-60.3	147.2	165.8	68	-179.2	0	0	0	109.6	S292 N294 G393 G394 K395	S292-I391 WeakPolarHBondContact O-CG1 3.38Å; S292-I391 PolarHBondContact O-N 2.89Å; N294-I391 HydrophobicContact CB-CG2 3.69Å; I391-G393 PolarHBondContact O-N 2.89Å; I391-G394 PolarHBondContact O-N 2.87Å; I391-K395 HydrophobicContact CD1-CD 3.71Å; I391-K395 HydrophobicContact CD1-CG 4.02Å
392	Y	88	Confident	92.6	Very high	237 Å²	237	54.3 Å²	54.3	93%	0.929	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	127.4	177.8	-175.1	-96.6	0	0	0	110.7	G394	Y392-G394 PolarHBondContact O-N 2.79Å
393	G	86.5	Confident	92.9	Very high	53 Å²	53	56.5 Å²	56.5	55%	0.546	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	-17.8	-176.6	0	0	0	0	0	115.3	I391 R401	I391-G393 PolarHBondContact O-N 2.89Å; G393-R401 PolarHBondContact O-NH1 3.03Å; G393-R401 PolarHBondContact O-NH2 3.11Å
394	G	90.1	Very high	93.1	Very high	16 Å²	16	56.3 Å²	56.3	17%	0.165	30%	0.302	C	S	.	.			trans	68.6	-171.7	-175.6	0	0	0	0	0	113	I391 Y392 R401	I391-G394 PolarHBondContact O-N 2.87Å; Y392-G394 PolarHBondContact O-N 2.79Å; G394-R401 VanDerWaalsContact CA-CZ 3.47Å
395	K	92.6	Very high	93.4	Very high	38 Å²	38	53.3 Å²	53.3	17%	0.165	29%	0.285	C	S	.	.			trans	-90.3	158.4	174.6	-63.7	-68.2	-173.6	-169.7	0	111	C300 D301 I391 W397 S398	C300-K395 WeakPolarHBondContact O-CE 3.39Å; D301-K395 VanDerWaalsContact OD1-CE 3.23Å; D301-K395 WeakPolarHBondContact OD1-CE 3.34Å; D301-K395 IonicContact OD1-NZ 2.97Å; D301-K395 PolarHBondContact OD1-NZ 2.8Å; I391-K395 HydrophobicContact CD1-CD 3.71Å; I391-K395 HydrophobicContact CD1-CG 4.02Å; K395-W397 HydrophobicContact CB-CD2 3.89Å; K395-W397 HydrophobicContact CB-CG 4.22Å; K395-W397 HydrophobicContact CB-CH2 4.27Å; K395-W397 HydrophobicContact CB-CZ2 3.61Å; K395-W397 VanDerWaalsContact CB-NE1 3.34Å; K395-W397 HydrophobicContact CD-CH2 4.18Å; K395-W397 HydrophobicContact CD-CZ2 3.84Å; K395-W397 HydrophobicContact CG-CH2 4.36Å; K395-W397 HydrophobicContact CG-CZ2 3.59Å; K395-W397 PolarHBondContact O-N 2.95Å; K395-W397 VanDerWaalsContact O-N 3.09Å; K395-S398 WeakPolarHBondContact O-CB 3.48Å; K395-S398 PolarHBondContact O-N 2.81Å
396	P	92.6	Very high	93.6	Very high	102 Å²	102	48 Å²	48	66%	0.662	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.5	-179.8	-27.6	35.9	0	0	0	115	V357	V357-P396 WeakPolarHBondContact CG2-O 3.47Å
397	W	94.2	Very high	93.9	Very high	11 Å²	11	46.8 Å²	46.8	4%	0.042	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.3	177.8	48.9	70.8	0	0	0	114.7	Y290 F349 W350 V352 R355 V357 K395 A399	Y290-W397 HydrophobicContact CD1-CD2 4.1Å; Y290-W397 AromaticContact CD1-CE2 3.76Å; Y290-W397 HydrophobicContact CD1-CG 4.34Å; Y290-W397 HydrophobicContact CD1-CZ2 4.19Å; Y290-W397 AromaticContact CD1-NE1 3.82Å; Y290-W397 HydrophobicContact CE1-CD2 4.4Å; F349-W397 CarbonylContact C-O 3.49Å; F349-W397 VanDerWaalsContact CA-O 3.25Å; F349-W397 WeakPolarHBondContact CA-O 3.21Å; F349-W397 HydrophobicContact CD1-CB 4.49Å; F349-W397 AromaticContact CD1-CD1 3.41Å; F349-W397 VanDerWaalsContact CD1-CD1 3.41Å; F349-W397 HydrophobicContact CD1-CG 4.25Å; F349-W397 AromaticContact CE1-CD1 3.57Å; F349-W397 AromaticContact CE1-NE1 3.95Å; W350-W397 PolarHBondContact N-O 2.8Å; V352-W397 HydrophobicContact CB-CB 4.1Å; V352-W397 HydrophobicContact CG2-CB 3.83Å; V352-W397 HydrophobicContact CG2-CG 4.28Å; R355-W397 HydrophobicContact CB-CE3 4.3Å; R355-W397 HydrophobicContact CB-CH2 4.12Å; R355-W397 HydrophobicContact CB-CZ3 3.66Å; R355-W397 HydrophobicContact CG-CH2 4.32Å; R355-W397 HydrophobicContact CG-CZ3 4.34Å; R355-W397 WeakPolarHBondContact O-CZ3 3.38Å; V357-W397 HydrophobicContact CG2-CB 3.93Å; K395-W397 HydrophobicContact CB-CD2 3.89Å; K395-W397 HydrophobicContact CB-CG 4.22Å; K395-W397 HydrophobicContact CB-CH2 4.27Å; K395-W397 HydrophobicContact CB-CZ2 3.61Å; K395-W397 VanDerWaalsContact CB-NE1 3.34Å; K395-W397 HydrophobicContact CD-CH2 4.18Å; K395-W397 HydrophobicContact CD-CZ2 3.84Å; K395-W397 HydrophobicContact CG-CH2 4.36Å; K395-W397 HydrophobicContact CG-CZ2 3.59Å; K395-W397 PolarHBondContact O-N 2.95Å; K395-W397 VanDerWaalsContact O-N 3.09Å; W397-A399 PolarHBondContact O-N 3.4Å
398	S	95.7	Very high	94.3	Very high	13 Å²	13	43 Å²	43	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	111.6	178.4	-172.4	0	0	0	0	110.1	E347 K395 R401	E347-S398 WeakPolarHBondContact OE1-CB 3.16Å; E347-S398 PolarHBondContact OE1-OG 3.13Å; K395-S398 WeakPolarHBondContact O-CB 3.48Å; K395-S398 PolarHBondContact O-N 2.81Å; S398-R401 PolarHBondContact OG-NH1 2.93Å
399	A	96.5	Very high	94.6	Very high	28 Å²	28	43.9 Å²	43.9	23%	0.231	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-44	-179	0	0	0	0	0	112.1	R348 W350 Y367 W397	R348-A399 HydrophobicContact CG-CB 4.4Å; R348-A399 WeakPolarHBondContact O-CA 3.37Å; R348-A399 WeakPolarHBondContact O-CB 3.38Å; R348-A399 PolarHBondContact O-N 3.23Å; W350-A399 HydrophobicContact CD2-CB 3.49Å; W350-A399 VanDerWaalsContact CD2-CB 3.49Å; W350-A399 VanDerWaalsContact CE2-CB 3.41Å; W350-A399 HydrophobicContact CE3-CB 3.87Å; W350-A399 HydrophobicContact CG-CB 3.92Å; W350-A399 HydrophobicContact CH2-CB 4.13Å; W350-A399 HydrophobicContact CZ2-CB 3.77Å; W350-A399 HydrophobicContact CZ3-CB 4.15Å; Y367-A399 WeakPolarHBondContact OH-CB 3.46Å; W397-A399 PolarHBondContact O-N 3.4Å
400	F	97.7	Very high	94.9	Very high	63 Å²	63	41 Å²	41	28%	0.276	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	144.4	173	179.2	-82.7	0	0	0	108.8	Y346 E347 R348 T402 I434 D435	Y346-F400 AromaticContact CD1-CD1 3.91Å; Y346-F400 HydrophobicContact CD1-CD1 3.91Å; Y346-F400 HydrophobicContact CD1-CE1 4Å; Y346-F400 AromaticContact CE1-CD1 3.67Å; Y346-F400 HydrophobicContact CE1-CD1 3.67Å; Y346-F400 HydrophobicContact CE1-CE1 4.05Å; E347-F400 CarbonylContact C-O 3.2Å; E347-F400 WeakPolarHBondContact CA-O 3.16Å; R348-F400 HydrophobicContact CB-CB 4.34Å; R348-F400 PolarHBondContact N-O 2.85Å; R348-F400 PolarHBondContact O-N 3.19Å; R348-F400 VanDerWaalsContact O-N 3.15Å; F400-T402 HydrophobicContact CE1-CG2 3.82Å; F400-I434 WeakPolarHBondContact CZ-O 3.47Å; F400-D435 HydrophobicContact CD1-CB 3.69Å; F400-D435 HydrophobicContact CD2-CB 4.44Å; F400-D435 HydrophobicContact CE1-CB 3.64Å; F400-D435 HydrophobicContact CE2-CB 4.39Å; F400-D435 HydrophobicContact CG-CB 4.1Å; F400-D435 HydrophobicContact CZ-CB 4.01Å
401	R	96.8	Very high	95.1	Very high	77 Å²	77	39.5 Å²	39.5	29%	0.291	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	145.6	178.1	64.5	-174	173.6	-91.9	-7.4	111.2	Y346 E347 F390 G393 G394 S398	Y346-R401 CarbonylContact O-C 3.55Å; Y346-R401 VanDerWaalsContact O-CA 3.29Å; Y346-R401 WeakPolarHBondContact O-CA 3.17Å; E347-R401 HydrophobicContact CB-CB 4.32Å; E347-R401 HydrophobicContact CG-CB 4.02Å; F390-R401 HydrophobicContact CD1-CB 4.2Å; F390-R401 HydrophobicContact CD1-CG 4.29Å; F390-R401 HydrophobicContact CD2-CB 4.28Å; F390-R401 HydrophobicContact CD2-CG 4.08Å; F390-R401 HydrophobicContact CE1-CB 3.77Å; F390-R401 HydrophobicContact CE1-CG 4.35Å; F390-R401 HydrophobicContact CE2-CB 3.88Å; F390-R401 HydrophobicContact CE2-CG 4.15Å; F390-R401 HydrophobicContact CG-CB 4.43Å; F390-R401 HydrophobicContact CG-CG 4.14Å; F390-R401 HydrophobicContact CZ-CB 3.59Å; F390-R401 HydrophobicContact CZ-CG 4.27Å; G393-R401 PolarHBondContact O-NH1 3.03Å; G393-R401 PolarHBondContact O-NH2 3.11Å; G394-R401 VanDerWaalsContact CA-CZ 3.47Å; S398-R401 PolarHBondContact OG-NH1 2.93Å
402	T	96.3	Very high	95.4	Very high	23 Å²	23	37.5 Å²	37.5	14%	0.141	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	146.2	180	-173.5	0	0	0	0	111	Y346 F400 D404 I434	Y346-T402 HydrophobicContact CD1-CG2 3.94Å; Y346-T402 HydrophobicContact CG-CG2 4.38Å; Y346-T402 PolarHBondContact N-O 2.86Å; Y346-T402 PolarHBondContact O-N 3.48Å; F400-T402 HydrophobicContact CE1-CG2 3.82Å; T402-D404 VanDerWaalsContact C-N 3.26Å; T402-D404 HydrophobicContact CG2-CB 4.06Å; T402-D404 VanDerWaalsContact OG1-CB 3.25Å; T402-D404 WeakPolarHBondContact OG1-CB 3.46Å; T402-D404 PolarHBondContact OG1-N 3.12Å; T402-I434 HydrophobicContact CG2-CD1 3.76Å
403	T	95.5	Very high	95.9	Very high	48 Å²	48	31.7 Å²	31.7	29%	0.294	17%	0.174	S	C	.	.			trans	-94.6	16.5	172.1	66.3	0	0	0	0	111.1	K387 D388 F390	K387-T403 WeakPolarHBondContact CD-O 3.43Å; K387-T403 WeakPolarHBondContact CE-O 3.23Å; K387-T403 PolarHBondContact NZ-O 2.78Å; D388-T403 VanDerWaalsContact O-CG2 3.24Å; D388-T403 WeakPolarHBondContact O-CG2 3.49Å; F390-T403 HydrophobicContact CD2-CG2 3.89Å; F390-T403 HydrophobicContact CE2-CG2 3.71Å
404	D	95.5	Very high	96.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.011	17%	0.166	C	C	.	.			trans	-76.7	124.3	179	-168	-28.7	0	0	0	109.1	T402 S424 E426 R429 I434	T402-D404 VanDerWaalsContact C-N 3.26Å; T402-D404 HydrophobicContact CG2-CB 4.06Å; T402-D404 VanDerWaalsContact OG1-CB 3.25Å; T402-D404 WeakPolarHBondContact OG1-CB 3.46Å; T402-D404 PolarHBondContact OG1-N 3.12Å; D404-S424 VanDerWaalsContact CG-OG 3.24Å; D404-S424 WeakPolarHBondContact OD1-CB 3.42Å; D404-S424 PolarHBondContact OD1-OG 3Å; D404-S424 PolarHBondContact OD2-OG 3.11Å; D404-E426 WeakPolarHBondContact OD1-CG 3.31Å; D404-R429 IonicContact OD2-CZ 3.82Å; D404-R429 IonicContact OD2-NE 3.12Å; D404-R429 PolarHBondContact OD2-NE 3.3Å; D404-R429 IonicContact OD2-NH1 3.04Å; D404-R429 PolarHBondContact OD2-NH1 2.67Å; D404-R429 IonicContact OD2-NH2 3.13Å; D404-R429 PolarHBondContact OD2-NH2 3.31Å; D404-I434 HydrophobicContact CB-CD1 3.72Å
405	F	96.8	Very high	96.8	Very high	20 Å²	20	34.7 Å²	34.7	9%	0.088	18%	0.176	C	C	.	.			trans	-64.6	138.6	174.9	-68.1	-57.9	0	0	0	110.6	L144 A380 G382 K387 V425 E426	L144-F405 HydrophobicContact CD1-CB 4.15Å; L144-F405 HydrophobicContact CD1-CD2 3.14Å; L144-F405 HydrophobicContact CD1-CE2 3.44Å; L144-F405 VanDerWaalsContact CD1-CE2 3.44Å; L144-F405 HydrophobicContact CD1-CG 3.78Å; L144-F405 HydrophobicContact CD1-CZ 4.33Å; L144-F405 HydrophobicContact CG-CD2 4.47Å; A380-F405 CarbonylContact O-C 3.58Å; A380-F405 VanDerWaalsContact O-CA 3.24Å; A380-F405 WeakPolarHBondContact O-CA 3.26Å; A380-F405 WeakPolarHBondContact O-CD1 3.4Å; G382-F405 VanDerWaalsContact CA-CD1 3.46Å; K387-F405 HydrophobicContact CB-CZ 4.48Å; K387-F405 HydrophobicContact CD-CD2 4.41Å; K387-F405 HydrophobicContact CD-CE2 3.99Å; K387-F405 HydrophobicContact CD-CZ 4.14Å; K387-F405 HydrophobicContact CG-CD1 4.35Å; K387-F405 HydrophobicContact CG-CD2 4.31Å; K387-F405 HydrophobicContact CG-CE1 3.62Å; K387-F405 HydrophobicContact CG-CE2 3.63Å; K387-F405 HydrophobicContact CG-CZ 3.26Å; F405-V425 HydrophobicContact CB-CG2 4.02Å; F405-V425 WeakPolarHBondContact O-CG2 3.08Å; F405-V425 PolarHBondContact O-N 2.61Å; F405-E426 HydrophobicContact CB-CG 4.19Å; F405-E426 WeakPolarHBondContact CD2-OE1 3.45Å; F405-E426 PolarHBondContact N-OE1 2.61Å
406	G	97.3	Very high	97.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-171.6	-171.6	0	0	0	0	0	112.5	S145 A380 A381 I423	S145-G406 PolarHBondContact OG-O 3.22Å; A380-G406 CarbonylContact C-O 3.58Å; A380-G406 PolarHBondContact O-N 3.27Å; A381-G406 PolarHBondContact N-O 2.91Å; G406-I423 CarbonylContact C-O 3.56Å; G406-I423 WeakPolarHBondContact CA-O 3.48Å
407	Y	98.3	Very high	97.4	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.9	177.3	62.3	-88.4	0	0	0	109.5	A133 E148 L149 Y159 Q422 I423 V425	A133-Y407 HydrophobicContact CB-CD2 4.42Å; E148-Y407 HydrophobicContact CB-CE1 4.45Å; E148-Y407 HydrophobicContact CG-CE1 3.96Å; L149-Y407 HydrophobicContact CD1-CD1 4.5Å; L149-Y407 HydrophobicContact CD2-CD1 3.91Å; L149-Y407 HydrophobicContact CD2-CD2 3.77Å; L149-Y407 HydrophobicContact CD2-CE1 3.99Å; L149-Y407 HydrophobicContact CD2-CE2 3.86Å; L149-Y407 HydrophobicContact CD2-CG 3.8Å; L149-Y407 HydrophobicContact CG-CD1 4Å; L149-Y407 HydrophobicContact CG-CE1 4.13Å; L149-Y407 HydrophobicContact CG-CG 4.32Å; Y159-Y407 HydrophobicContact CE2-CE2 4.17Å; Y159-Y407 AromaticContact CZ-CE2 3.86Å; Y159-Y407 VanDerWaalsContact OH-CE2 3.3Å; Y159-Y407 WeakPolarHBondContact OH-CE2 3.49Å; Y159-Y407 PolarHBondContact OH-OH 2.94Å; Y407-Q422 VanDerWaalsContact C-OE1 3.27Å; Y407-Q422 PolarHBondContact O-OE1 2.97Å; Y407-I423 HydrophobicContact CE1-CB 4.2Å; Y407-I423 HydrophobicContact CE1-CG2 4.2Å; Y407-I423 HydrophobicContact CE2-CB 4.16Å; Y407-I423 HydrophobicContact CE2-CG1 4.06Å; Y407-I423 PolarHBondContact N-O 3.33Å; Y407-I423 VanDerWaalsContact N-O 3.12Å; Y407-I423 PolarHBondContact O-N 3.04Å; Y407-V425 HydrophobicContact CD1-CG1 4.01Å; Y407-V425 HydrophobicContact CE1-CG1 3.91Å
408	T	98.7	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.3	178.2	-62.7	0	0	0	0	110.4	V134 I376 S378 I420 E421 Q422	V134-T408 HydrophobicContact CB-CG2 4.49Å; V134-T408 PolarHBondContact N-O 3.37Å; V134-T408 PolarHBondContact O-N 2.96Å; I376-T408 HydrophobicContact CD1-CG2 4.12Å; S378-T408 WeakPolarHBondContact OG-CB 3.45Å; S378-T408 PolarHBondContact OG-OG1 3.22Å; T408-I420 HydrophobicContact CG2-CG2 3.6Å; T408-E421 CarbonylContact C-O 3.49Å; T408-E421 WeakPolarHBondContact CA-O 3.47Å; T408-Q422 PolarHBondContact OG1-OE1 3.5Å
409	R	98.7	Very high	97.7	Very high	52 Å²	52	34.1 Å²	34.1	20%	0.196	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.8	169.6	169.6	164.1	102.4	-160.9	-7.3	108.3	K131 Y159 E421 I423	K131-R409 VanDerWaalsContact CE-CD 3.41Å; Y159-R409 HydrophobicContact CE1-CB 4.21Å; Y159-R409 HydrophobicContact CE1-CG 3.83Å; Y159-R409 WeakPolarHBondContact OH-CD 3.46Å; R409-E421 HydrophobicContact CB-CB 4.33Å; R409-E421 IonicContact CZ-OE1 3.13Å; R409-E421 IonicContact CZ-OE2 3.2Å; R409-E421 PolarHBondContact N-O 2.97Å; R409-E421 IonicContact NE-OE2 3.56Å; R409-E421 PolarHBondContact NE-OE2 2.65Å; R409-E421 IonicContact NH2-OE1 3.85Å; R409-E421 PolarHBondContact NH2-OE1 2.97Å; R409-E421 IonicContact NH2-OE2 2.87Å; R409-E421 PolarHBondContact NH2-OE2 2.87Å; R409-E421 PolarHBondContact O-N 2.82Å; R409-I423 HydrophobicContact CB-CD1 4.46Å; R409-I423 HydrophobicContact CB-CG1 4.09Å
410	M	98.8	Very high	97.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122	179.2	177.7	166.3	73.7	0	0	109.7	K131 L132 V134 L163 I282 L337 I339 I412 L418 E419 I420	K131-M410 CarbonylContact C-O 3.52Å; K131-M410 WeakPolarHBondContact CA-O 3.37Å; L132-M410 HydrophobicContact CB-CB 4.45Å; L132-M410 HydrophobicContact CB-CE 4.3Å; L132-M410 HydrophobicContact CD1-CE 4.36Å; L132-M410 HydrophobicContact CD2-CE 3.67Å; L132-M410 HydrophobicContact CG-CE 4.35Å; L132-M410 PolarHBondContact N-O 3.09Å; L132-M410 PolarHBondContact O-N 3.12Å; V134-M410 HydrophobicContact CG2-CB 4.15Å; V134-M410 HydrophobicContact CG2-CE 4.27Å; L163-M410 HydrophobicContact CD1-CE 3.92Å; I282-M410 HydrophobicContact CD1-CE 3.97Å; I282-M410 HydrophobicContact CD1-SD 3.88Å; L337-M410 HydrophobicContact CD2-SD 3.84Å; I339-M410 HydrophobicContact CD1-SD 4.2Å; M410-I412 HydrophobicContact CG-CG1 4.37Å; M410-L418 HydrophobicContact CG-CD1 3.69Å; M410-L418 HydrophobicContact SD-CD1 4.01Å; M410-E419 CarbonylContact C-O 3.55Å; M410-E419 WeakPolarHBondContact CA-O 3.4Å; M410-I420 HydrophobicContact CB-CD1 3.82Å; M410-I420 HydrophobicContact CG-CD1 3.51Å; M410-I420 HydrophobicContact SD-CD1 3.8Å
411	T	98.8	Very high	97.9	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.025	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110.6	175.4	-52.3	0	0	0	0	109.5	R413 E419	T411-R413 HydrophobicContact CG2-CG 4.23Å; T411-R413 PolarHBondContact O-N 3.2Å; T411-R413 VanDerWaalsContact O-N 3.11Å; T411-E419 PolarHBondContact N-O 2.69Å; T411-E419 PolarHBondContact O-N 3.16Å
412	I	98.7	Very high	98	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	86.1	178	-46.7	163.7	0	0	0	107.3	S129 P130 L132 P234 A235 W280 I282 M410 N414 L418	S129-I412 VanDerWaalsContact CA-O 3.23Å; S129-I412 WeakPolarHBondContact CA-O 3.31Å; S129-I412 PolarHBondContact OG-O 2.97Å; P130-I412 HydrophobicContact CB-CD1 4.22Å; P130-I412 HydrophobicContact CG-CD1 4.28Å; P130-I412 PolarHBondContact O-N 3.23Å; L132-I412 HydrophobicContact CD1-CD1 3.92Å; L132-I412 HydrophobicContact CD1-CG1 4.34Å; P234-I412 HydrophobicContact CG-CB 4.48Å; P234-I412 HydrophobicContact CG-CG2 3.49Å; P234-I412 VanDerWaalsContact CG-CG2 3.49Å; A235-I412 HydrophobicContact CB-CD1 3.61Å; W280-I412 HydrophobicContact CG-CG2 4.32Å; I282-I412 HydrophobicContact CD1-CD1 4.28Å; I282-I412 HydrophobicContact CD1-CG1 4.5Å; M410-I412 HydrophobicContact CG-CG1 4.37Å; I412-N414 PolarHBondContact O-N 2.79Å; I412-L418 HydrophobicContact CB-CD1 4.13Å; I412-L418 HydrophobicContact CG1-CD1 3.66Å; I412-L418 HydrophobicContact CG2-CD1 4.27Å
413	R	98.2	Very high	98	Very high	115 Å²	115	26.5 Å²	26.5	43%	0.434	13%	0.129	S	C	.	.			trans	-62.7	-45.4	-167.7	-69.5	-72.4	-171.6	-159.5	-5.4	113	T411 H417 E419	T411-R413 HydrophobicContact CG2-CG 4.23Å; T411-R413 PolarHBondContact O-N 3.2Å; T411-R413 VanDerWaalsContact O-N 3.11Å; R413-H417 HydrophobicContact CB-CB 3.97Å; R413-H417 WeakPolarHBondContact CB-O 3.35Å; R413-H417 HydrophobicContact CG-CB 4.44Å; R413-H417 PolarHBondContact N-O 2.84Å; R413-E419 HydrophobicContact CG-CG 3.95Å; R413-E419 WeakPolarHBondContact CG-OE1 3.48Å; R413-E419 IonicContact CZ-OE1 3.74Å; R413-E419 IonicContact CZ-OE2 3.37Å; R413-E419 IonicContact NE-OE1 3.59Å; R413-E419 PolarHBondContact NE-OE1 3.12Å; R413-E419 IonicContact NE-OE2 3.85Å; R413-E419 PolarHBondContact NE-OE2 2.85Å; R413-E419 IonicContact NH2-OE1 2.92Å; R413-E419 IonicContact NH2-OE2 3.89Å; R413-E419 PolarHBondContact NH2-OE2 3.08Å
414	N	97.7	Very high	98.2	Very high	68 Å²	68	24.2 Å²	24.2	36%	0.364	12%	0.115	S	C	.	.	S	Bend	trans	-169.2	-165.3	-177.7	57.9	47.3	0	0	0	109.8	W280 I412 T416 H417	W280-N414 PolarHBondContact NE1-O 3.18Å; I412-N414 PolarHBondContact O-N 2.79Å; N414-T416 PolarHBondContact O-N 3.4Å; N414-T416 PolarHBondContact OD1-N 3.42Å; N414-T416 PolarHBondContact OD1-OG1 3.39Å; N414-T416 VanDerWaalsContact OD1-OG1 3.07Å; N414-H417 PolarHBondContact N-O 3.02Å; N414-H417 PolarHBondContact OD1-N 2.97Å
415	V	97.7	Very high	98.2	Very high	64 Å²	64	24.9 Å²	24.9	39%	0.388	12%	0.119	S	C	.	.	S	Bend	trans	-67.8	-13.1	-178.9	-59.1	0	0	0	0	115.2	P234 P279 H444	P234-V415 HydrophobicContact CB-CG1 4.32Å; P279-V415 HydrophobicContact CG-CB 3.7Å; P279-V415 HydrophobicContact CG-CG1 3.8Å; V415-H444 PolarHBondContact O-NE2 3Å
416	T	98	Very high	98.1	Very high	41 Å²	41	26 Å²	26	25%	0.252	13%	0.125	S	C	.	.	S	Bend	trans	-122.2	-17.4	-178.3	60.4	0	0	0	0	114.8	W280 N414 I440 K441	W280-T416 VanDerWaalsContact CZ2-C 3.46Å; W280-T416 WeakPolarHBondContact CZ2-O 3.25Å; N414-T416 PolarHBondContact O-N 3.4Å; N414-T416 PolarHBondContact OD1-N 3.42Å; N414-T416 PolarHBondContact OD1-OG1 3.39Å; N414-T416 VanDerWaalsContact OD1-OG1 3.07Å; T416-I440 CarbonylContact O-C 3.59Å; T416-I440 VanDerWaalsContact O-CA 3.26Å; T416-I440 WeakPolarHBondContact O-CA 3.18Å; T416-K441 WeakPolarHBondContact CA-O 3.07Å; T416-K441 VanDerWaalsContact CB-O 3.31Å; T416-K441 WeakPolarHBondContact CB-O 3.37Å; T416-K441 WeakPolarHBondContact CG2-O 3.5Å; T416-K441 PolarHBondContact O-N 2.91Å
417	H	98.6	Very high	97.6	Very high	65 Å²	65	33.3 Å²	33.3	30%	0.301	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.6	-178	-67.1	63.9	0	0	0	112.6	R413 N414 T438	R413-H417 HydrophobicContact CB-CB 3.97Å; R413-H417 WeakPolarHBondContact CB-O 3.35Å; R413-H417 HydrophobicContact CG-CB 4.44Å; R413-H417 PolarHBondContact N-O 2.84Å; N414-H417 PolarHBondContact N-O 3.02Å; N414-H417 PolarHBondContact OD1-N 2.97Å; H417-T438 HydrophobicContact CB-CG2 4.25Å
418	L	98.7	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111.7	171.6	175.5	59.7	0	0	0	109.1	W280 I282 L337 M410 I412 I420 T438 I439	W280-L418 HydrophobicContact CD2-CB 4.22Å; W280-L418 HydrophobicContact CD2-CD2 4.4Å; W280-L418 HydrophobicContact CE3-CB 4.32Å; W280-L418 HydrophobicContact CE3-CD2 4.11Å; W280-L418 HydrophobicContact CH2-CB 3.85Å; W280-L418 HydrophobicContact CZ2-CB 3.7Å; W280-L418 HydrophobicContact CZ3-CB 4.15Å; W280-L418 HydrophobicContact CZ3-CD2 4.36Å; I282-L418 HydrophobicContact CD1-CD1 4.48Å; I282-L418 HydrophobicContact CD1-CD2 4.08Å; I282-L418 HydrophobicContact CG1-CD2 4.45Å; L337-L418 HydrophobicContact CB-CD2 4.25Å; L337-L418 HydrophobicContact CD2-CD2 3.92Å; M410-L418 HydrophobicContact CG-CD1 3.69Å; M410-L418 HydrophobicContact SD-CD1 4.01Å; I412-L418 HydrophobicContact CB-CD1 4.13Å; I412-L418 HydrophobicContact CG1-CD1 3.66Å; I412-L418 HydrophobicContact CG2-CD1 4.27Å; L418-I420 HydrophobicContact CD1-CD1 4.47Å; L418-I420 HydrophobicContact CG-CD1 4.35Å; L418-T438 CarbonylContact O-C 3.58Å; L418-T438 WeakPolarHBondContact O-CA 3.17Å; L418-I439 HydrophobicContact CB-CB 4.34Å; L418-I439 HydrophobicContact CD2-CD1 4.31Å; L418-I439 PolarHBondContact N-O 3.2Å; L418-I439 PolarHBondContact O-N 2.88Å
419	E	98.8	Very high	96.7	Very high	45 Å²	45	47 Å²	47	21%	0.21	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136	-178.2	-68.8	178.4	-161.2	0	0	111.3	M410 T411 R413 T438	M410-E419 CarbonylContact C-O 3.55Å; M410-E419 WeakPolarHBondContact CA-O 3.4Å; T411-E419 PolarHBondContact N-O 2.69Å; T411-E419 PolarHBondContact O-N 3.16Å; R413-E419 HydrophobicContact CG-CG 3.95Å; R413-E419 WeakPolarHBondContact CG-OE1 3.48Å; R413-E419 IonicContact CZ-OE1 3.74Å; R413-E419 IonicContact CZ-OE2 3.37Å; R413-E419 IonicContact NE-OE1 3.59Å; R413-E419 PolarHBondContact NE-OE1 3.12Å; R413-E419 IonicContact NE-OE2 3.85Å; R413-E419 PolarHBondContact NE-OE2 2.85Å; R413-E419 IonicContact NH2-OE1 2.92Å; R413-E419 IonicContact NH2-OE2 3.89Å; R413-E419 PolarHBondContact NH2-OE2 3.08Å; E419-T438 HydrophobicContact CG-CG2 3.89Å
420	I	98.8	Very high	96.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.4	179.5	-54.2	-66.1	0	0	0	108.7	L337 I376 T408 M410 L418 S436 F437	L337-I420 HydrophobicContact CD2-CD1 3.79Å; L337-I420 HydrophobicContact CD2-CG1 4.46Å; I376-I420 HydrophobicContact CD1-CG2 4.34Å; T408-I420 HydrophobicContact CG2-CG2 3.6Å; M410-I420 HydrophobicContact CB-CD1 3.82Å; M410-I420 HydrophobicContact CG-CD1 3.51Å; M410-I420 HydrophobicContact SD-CD1 3.8Å; L418-I420 HydrophobicContact CD1-CD1 4.47Å; L418-I420 HydrophobicContact CG-CD1 4.35Å; I420-S436 VanDerWaalsContact O-CA 3.3Å; I420-S436 WeakPolarHBondContact O-CA 3.43Å; I420-S436 PolarHBondContact O-OG 3.01Å; I420-F437 HydrophobicContact CB-CD1 3.75Å; I420-F437 HydrophobicContact CB-CE1 3.3Å; I420-F437 HydrophobicContact CB-CE2 4.43Å; I420-F437 HydrophobicContact CB-CZ 3.7Å; I420-F437 HydrophobicContact CG1-CE1 3.86Å; I420-F437 HydrophobicContact CG1-CE2 4.21Å; I420-F437 HydrophobicContact CG1-CZ 3.67Å; I420-F437 HydrophobicContact CG2-CD1 4.09Å; I420-F437 HydrophobicContact CG2-CE1 3.34Å; I420-F437 HydrophobicContact CG2-CZ 3.92Å; I420-F437 PolarHBondContact N-O 3.46Å; I420-F437 PolarHBondContact O-N 3.03Å
421	E	98.7	Very high	96	Very high	29 Å²	29	51.5 Å²	51.5	14%	0.136	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.8	177.8	-68.5	168.8	112.4	0	0	109.7	T408 R409 I423 V433 D435	T408-E421 CarbonylContact C-O 3.49Å; T408-E421 WeakPolarHBondContact CA-O 3.47Å; R409-E421 HydrophobicContact CB-CB 4.33Å; R409-E421 IonicContact CZ-OE1 3.13Å; R409-E421 IonicContact CZ-OE2 3.2Å; R409-E421 PolarHBondContact N-O 2.97Å; R409-E421 IonicContact NE-OE2 3.56Å; R409-E421 PolarHBondContact NE-OE2 2.65Å; R409-E421 IonicContact NH2-OE1 3.85Å; R409-E421 PolarHBondContact NH2-OE1 2.97Å; R409-E421 IonicContact NH2-OE2 2.87Å; R409-E421 PolarHBondContact NH2-OE2 2.87Å; R409-E421 PolarHBondContact O-N 2.82Å; E421-I423 HydrophobicContact CB-CD1 4.3Å; E421-V433 HydrophobicContact CB-CG1 3.99Å; E421-V433 HydrophobicContact CB-CG2 4.39Å; E421-V433 HydrophobicContact CG-CG1 4.08Å; E421-D435 CarbonylContact C-O 3.58Å; E421-D435 WeakPolarHBondContact CA-O 3.37Å
422	Q	98.6	Very high	95.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.3	170.2	-177.5	62.5	11.5	0	0	109.6	Y346 Y407 T408 V433 I434 D435	Y346-Q422 HydrophobicContact CD1-CB 3.99Å; Y346-Q422 HydrophobicContact CD1-CG 3.79Å; Y346-Q422 HydrophobicContact CD2-CB 4.13Å; Y346-Q422 VanDerWaalsContact CD2-CD 3.49Å; Y346-Q422 HydrophobicContact CD2-CG 3.89Å; Y346-Q422 HydrophobicContact CE1-CB 3.79Å; Y346-Q422 HydrophobicContact CE1-CG 4.14Å; Y346-Q422 HydrophobicContact CE2-CB 3.95Å; Y346-Q422 HydrophobicContact CE2-CG 4.24Å; Y346-Q422 HydrophobicContact CG-CB 4.14Å; Y346-Q422 HydrophobicContact CG-CG 3.63Å; Y407-Q422 VanDerWaalsContact C-OE1 3.27Å; Y407-Q422 PolarHBondContact O-OE1 2.97Å; T408-Q422 PolarHBondContact OG1-OE1 3.5Å; Q422-V433 CarbonylContact O-C 3.47Å; Q422-V433 WeakPolarHBondContact O-CA 3.37Å; Q422-I434 HydrophobicContact CB-CG1 3.95Å; Q422-I434 HydrophobicContact CG-CD1 3.81Å; Q422-I434 HydrophobicContact CG-CG1 3.71Å; Q422-I434 WeakPolarHBondContact O-CG1 3.5Å; Q422-I434 PolarHBondContact O-N 3.2Å; Q422-D435 HydrophobicContact CB-CB 4.16Å; Q422-D435 PolarHBondContact N-O 2.92Å
423	I	98.2	Very high	95.9	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123	-179.2	-50.1	-57.3	0	0	0	109.4	G406 Y407 R409 E421 Q432 V433	G406-I423 CarbonylContact C-O 3.56Å; G406-I423 WeakPolarHBondContact CA-O 3.48Å; Y407-I423 HydrophobicContact CE1-CB 4.2Å; Y407-I423 HydrophobicContact CE1-CG2 4.2Å; Y407-I423 HydrophobicContact CE2-CB 4.16Å; Y407-I423 HydrophobicContact CE2-CG1 4.06Å; Y407-I423 PolarHBondContact N-O 3.33Å; Y407-I423 VanDerWaalsContact N-O 3.12Å; Y407-I423 PolarHBondContact O-N 3.04Å; R409-I423 HydrophobicContact CB-CD1 4.46Å; R409-I423 HydrophobicContact CB-CG1 4.09Å; E421-I423 HydrophobicContact CB-CD1 4.3Å; I423-Q432 WeakPolarHBondContact CA-O 3.36Å; I423-V433 HydrophobicContact CD1-CB 4.41Å; I423-V433 HydrophobicContact CD1-CG2 3.62Å
424	S	97.8	Very high	95.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	145.1	173.5	175.5	0	0	0	0	111.2	D404 E426 K430 G431 Q432	D404-S424 VanDerWaalsContact CG-OG 3.24Å; D404-S424 WeakPolarHBondContact OD1-CB 3.42Å; D404-S424 PolarHBondContact OD1-OG 3Å; D404-S424 PolarHBondContact OD2-OG 3.11Å; S424-E426 PolarHBondContact OG-N 2.92Å; S424-E426 VanDerWaalsContact OG-N 3.14Å; S424-K430 WeakPolarHBondContact O-CA 3.43Å; S424-G431 PolarHBondContact O-N 2.84Å; S424-Q432 PolarHBondContact N-O 3.25Å
425	V	96.6	Very high	95.9	Very high	16 Å²	16	52.6 Å²	52.6	10%	0.097	27%	0.268	C	S	.	.			trans	-113.7	6.1	169.7	-60.8	0	0	0	0	112.8	L144 S145 E148 F405 Y407	L144-V425 HydrophobicContact CB-CG2 4.22Å; S145-V425 WeakPolarHBondContact OG-CG2 3.36Å; E148-V425 HydrophobicContact CB-CG1 3.88Å; E148-V425 HydrophobicContact CG-CG1 4.11Å; F405-V425 HydrophobicContact CB-CG2 4.02Å; F405-V425 WeakPolarHBondContact O-CG2 3.08Å; F405-V425 PolarHBondContact O-N 2.61Å; Y407-V425 HydrophobicContact CD1-CG1 4.01Å; Y407-V425 HydrophobicContact CE1-CG1 3.91Å
426	E	93.8	Very high	95.9	Very high	44 Å²	44	52.7 Å²	52.7	21%	0.206	27%	0.271	C	S	.	.	S	Bend	trans	-85.6	121.7	-177.7	-68.7	-172.6	-174.4	0	0	112.5	K387 D404 F405 S424 E428 R429 K430	K387-E426 WeakPolarHBondContact CE-OE1 3.37Å; K387-E426 IonicContact NZ-OE1 3.77Å; K387-E426 PolarHBondContact NZ-OE1 3.17Å; K387-E426 IonicContact NZ-OE2 2.59Å; K387-E426 PolarHBondContact NZ-OE2 2.89Å; D404-E426 WeakPolarHBondContact OD1-CG 3.31Å; F405-E426 HydrophobicContact CB-CG 4.19Å; F405-E426 WeakPolarHBondContact CD2-OE1 3.45Å; F405-E426 PolarHBondContact N-OE1 2.61Å; S424-E426 PolarHBondContact OG-N 2.92Å; S424-E426 VanDerWaalsContact OG-N 3.14Å; E426-E428 PolarHBondContact O-N 2.92Å; E426-R429 CarbonylContact O-C 3.52Å; E426-R429 WeakPolarHBondContact O-CA 3.35Å; E426-R429 PolarHBondContact O-N 3.04Å; E426-K430 PolarHBondContact O-N 2.87Å; E426-K430 VanDerWaalsContact O-N 3.13Å
427	N	86.6	Confident	95.9	Very high	154 Å²	154	51.4 Å²	51.4	82%	0.824	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	32	-105	164.3	-63	-30.5	0	0	0	114.6	R429 K430	N427-R429 VanDerWaalsContact C-N 3.28Å; N427-R429 PolarHBondContact O-N 3.18Å; N427-K430 WeakPolarHBondContact O-CB 3.11Å; N427-K430 PolarHBondContact O-N 2.9Å
428	E	87.9	Confident	95.9	Very high	184 Å²	184	50.1 Å²	50.1	86%	0.86	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-70.1	-21.3	-173.1	-59.5	-177.2	174.3	0	0	114.1	E426 Q432	E426-E428 PolarHBondContact O-N 2.92Å; E428-Q432 PolarHBondContact O-NE2 3.14Å
429	R	90.2	Very high	95.9	Very high	103 Å²	103	50.1 Å²	50.1	39%	0.389	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-105.5	5.5	-178.7	-68.1	-177.2	-70	161.7	5	112.7	D404 E426 N427 G431 Q432	D404-R429 IonicContact OD2-CZ 3.82Å; D404-R429 IonicContact OD2-NE 3.12Å; D404-R429 PolarHBondContact OD2-NE 3.3Å; D404-R429 IonicContact OD2-NH1 3.04Å; D404-R429 PolarHBondContact OD2-NH1 2.67Å; D404-R429 IonicContact OD2-NH2 3.13Å; D404-R429 PolarHBondContact OD2-NH2 3.31Å; E426-R429 CarbonylContact O-C 3.52Å; E426-R429 WeakPolarHBondContact O-CA 3.35Å; E426-R429 PolarHBondContact O-N 3.04Å; N427-R429 VanDerWaalsContact C-N 3.28Å; N427-R429 PolarHBondContact O-N 3.18Å; R429-G431 PolarHBondContact O-N 2.95Å; R429-G431 VanDerWaalsContact O-N 3.15Å; R429-Q432 VanDerWaalsContact O-CB 3.24Å; R429-Q432 WeakPolarHBondContact O-CB 3.46Å; R429-Q432 WeakPolarHBondContact O-CG 3.25Å; R429-Q432 PolarHBondContact O-N 2.98Å
430	K	92.9	Very high	95.9	Very high	111 Å²	111	49.6 Å²	49.6	48%	0.483	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	122	179.8	-176.2	176.6	178.2	178.4	0	111.3	E148 S424 E426 N427 Q432	E148-K430 WeakPolarHBondContact OE2-CE 3.42Å; E148-K430 IonicContact OE2-NZ 2.79Å; S424-K430 WeakPolarHBondContact O-CA 3.43Å; E426-K430 PolarHBondContact O-N 2.87Å; E426-K430 VanDerWaalsContact O-N 3.13Å; N427-K430 WeakPolarHBondContact O-CB 3.11Å; N427-K430 PolarHBondContact O-N 2.9Å; K430-Q432 VanDerWaalsContact C-N 3.3Å; K430-Q432 PolarHBondContact O-N 2.9Å
431	G	91.5	Very high	95.8	Very high	36 Å²	36	49.9 Å²	49.9	37%	0.371	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-2	-179.7	0	0	0	0	0	115.2	S424 R429	S424-G431 PolarHBondContact O-N 2.84Å; R429-G431 PolarHBondContact O-N 2.95Å; R429-G431 VanDerWaalsContact O-N 3.15Å
432	Q	95.9	Very high	95.6	Very high	103 Å²	103	53.8 Å²	53.8	48%	0.481	28%	0.28	S	S	.	.			trans	-84.3	146.5	178.3	-59.8	-177.3	16.9	0	0	111.6	I423 S424 E428 R429 K430	I423-Q432 WeakPolarHBondContact CA-O 3.36Å; S424-Q432 PolarHBondContact N-O 3.25Å; E428-Q432 PolarHBondContact O-NE2 3.14Å; R429-Q432 VanDerWaalsContact O-CB 3.24Å; R429-Q432 WeakPolarHBondContact O-CB 3.46Å; R429-Q432 WeakPolarHBondContact O-CG 3.25Å; R429-Q432 PolarHBondContact O-N 2.98Å; K430-Q432 VanDerWaalsContact C-N 3.3Å; K430-Q432 PolarHBondContact O-N 2.9Å
433	V	97.9	Very high	95.5	Very high	63 Å²	63	61 Å²	61	38%	0.382	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.1	170.2	-179.6	0	0	0	0	108.5	E421 Q422 I423 D435	E421-V433 HydrophobicContact CB-CG1 3.99Å; E421-V433 HydrophobicContact CB-CG2 4.39Å; E421-V433 HydrophobicContact CG-CG1 4.08Å; Q422-V433 CarbonylContact O-C 3.47Å; Q422-V433 WeakPolarHBondContact O-CA 3.37Å; I423-V433 HydrophobicContact CD1-CB 4.41Å; I423-V433 HydrophobicContact CD1-CG2 3.62Å; V433-D435 VanDerWaalsContact CG1-O 3.25Å; V433-D435 WeakPolarHBondContact CG1-O 3.49Å
434	I	97.6	Very high	95.4	Very high	33 Å²	33	62.7 Å²	62.7	17%	0.169	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-18.5	-178.9	61.7	173.1	0	0	0	113.7	F400 T402 D404 Q422	F400-I434 WeakPolarHBondContact CZ-O 3.47Å; T402-I434 HydrophobicContact CG2-CD1 3.76Å; D404-I434 HydrophobicContact CB-CD1 3.72Å; Q422-I434 HydrophobicContact CB-CG1 3.95Å; Q422-I434 HydrophobicContact CG-CD1 3.81Å; Q422-I434 HydrophobicContact CG-CG1 3.71Å; Q422-I434 WeakPolarHBondContact O-CG1 3.5Å; Q422-I434 PolarHBondContact O-N 3.2Å
435	D	98.4	Very high	95.2	Very high	12 Å²	12	63 Å²	63	6%	0.064	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.7	169	-177.6	44.1	0	0	0	108.7	Y346 R348 F400 E421 Q422 V433	Y346-D435 HydrophobicContact CE1-CB 3.72Å; Y346-D435 VanDerWaalsContact CE1-OD2 3.24Å; Y346-D435 WeakPolarHBondContact CE1-OD2 3.45Å; Y346-D435 PolarHBondContact OH-OD2 3.15Å; R348-D435 WeakPolarHBondContact CD-OD2 3.26Å; R348-D435 IonicContact CZ-OD1 3.51Å; R348-D435 IonicContact CZ-OD2 3.76Å; R348-D435 IonicContact NE-OD1 3.71Å; R348-D435 PolarHBondContact NE-OD1 2.65Å; R348-D435 IonicContact NE-OD2 2.79Å; R348-D435 PolarHBondContact NE-OD2 3.04Å; R348-D435 IonicContact NH2-OD1 3.35Å; R348-D435 PolarHBondContact NH2-OD1 3.02Å; R348-D435 IonicContact NH2-OD2 4Å; F400-D435 HydrophobicContact CD1-CB 3.69Å; F400-D435 HydrophobicContact CD2-CB 4.44Å; F400-D435 HydrophobicContact CE1-CB 3.64Å; F400-D435 HydrophobicContact CE2-CB 4.39Å; F400-D435 HydrophobicContact CG-CB 4.1Å; F400-D435 HydrophobicContact CZ-CB 4.01Å; E421-D435 CarbonylContact C-O 3.58Å; E421-D435 WeakPolarHBondContact CA-O 3.37Å; Q422-D435 HydrophobicContact CB-CB 4.16Å; Q422-D435 PolarHBondContact N-O 2.92Å; V433-D435 VanDerWaalsContact CG1-O 3.25Å; V433-D435 WeakPolarHBondContact CG1-O 3.49Å
436	S	98.4	Very high	95.1	Very high	66 Å²	66	65.5 Å²	65.5	46%	0.462	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	140.7	177.4	-178.2	0	0	0	0	111.2	I420	I420-S436 VanDerWaalsContact O-CA 3.3Å; I420-S436 WeakPolarHBondContact O-CA 3.43Å; I420-S436 PolarHBondContact O-OG 3.01Å
437	F	98.4	Very high	94.9	Very high	14 Å²	14	66.6 Å²	66.6	6%	0.061	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	162.6	171.9	71.3	-71.5	0	0	0	110.7	R348 Y367 V374 I376 I420 I439	R348-F437 VanDerWaalsContact CD-CG 3.5Å; R348-F437 HydrophobicContact CG-CD1 4.27Å; R348-F437 HydrophobicContact CG-CE1 3.99Å; R348-F437 HydrophobicContact CG-CZ 4.26Å; Y367-F437 AromaticContact CD1-CD2 3.75Å; Y367-F437 HydrophobicContact CD1-CD2 3.75Å; Y367-F437 HydrophobicContact CD1-CE2 4.05Å; Y367-F437 HydrophobicContact CD2-CB 4.31Å; Y367-F437 HydrophobicContact CD2-CD2 4.23Å; Y367-F437 AromaticContact CE1-CD2 3.93Å; Y367-F437 HydrophobicContact CE1-CD2 3.93Å; Y367-F437 HydrophobicContact CE1-CE2 4.07Å; Y367-F437 HydrophobicContact CE2-CB 4.4Å; Y367-F437 HydrophobicContact CE2-CD2 4.37Å; Y367-F437 AromaticContact CG-CD2 3.92Å; Y367-F437 HydrophobicContact CG-CD2 3.92Å; V374-F437 HydrophobicContact CG1-CE2 3.95Å; V374-F437 HydrophobicContact CG1-CZ 4.26Å; I376-F437 HydrophobicContact CG2-CE1 4.17Å; I376-F437 HydrophobicContact CG2-CZ 3.85Å; I420-F437 HydrophobicContact CB-CD1 3.75Å; I420-F437 HydrophobicContact CB-CE1 3.3Å; I420-F437 HydrophobicContact CB-CE2 4.43Å; I420-F437 HydrophobicContact CB-CZ 3.7Å; I420-F437 HydrophobicContact CG1-CE1 3.86Å; I420-F437 HydrophobicContact CG1-CE2 4.21Å; I420-F437 HydrophobicContact CG1-CZ 3.67Å; I420-F437 HydrophobicContact CG2-CD1 4.09Å; I420-F437 HydrophobicContact CG2-CE1 3.34Å; I420-F437 HydrophobicContact CG2-CZ 3.92Å; I420-F437 PolarHBondContact N-O 3.46Å; I420-F437 PolarHBondContact O-N 3.03Å; F437-I439 HydrophobicContact CD2-CG1 4.11Å; F437-I439 HydrophobicContact CE2-CD1 4Å; F437-I439 HydrophobicContact CE2-CG1 3.66Å
438	T	98.6	Very high	95.1	Very high	38 Å²	38	62.7 Å²	62.7	23%	0.233	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.2	176.4	-51.9	0	0	0	0	108.9	Y367 H417 L418 E419 I440	Y367-T438 VanDerWaalsContact CB-O 3.3Å; Y367-T438 WeakPolarHBondContact CB-O 3.41Å; H417-T438 HydrophobicContact CB-CG2 4.25Å; L418-T438 CarbonylContact O-C 3.58Å; L418-T438 WeakPolarHBondContact O-CA 3.17Å; E419-T438 HydrophobicContact CG-CG2 3.89Å; T438-I440 HydrophobicContact CG2-CG1 3.89Å
439	I	98.5	Very high	95.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.8	166.9	-53	175.6	0	0	0	107.1	W280 L337 Y367 P370 V374 L418 F437 K441	W280-I439 HydrophobicContact CH2-CB 4.23Å; W280-I439 HydrophobicContact CH2-CG2 3.93Å; W280-I439 WeakPolarHBondContact CH2-O 3.44Å; W280-I439 HydrophobicContact CZ3-CB 4.35Å; W280-I439 HydrophobicContact CZ3-CG2 3.84Å; L337-I439 HydrophobicContact CB-CD1 4.28Å; L337-I439 HydrophobicContact CD1-CD1 4.18Å; Y367-I439 WeakPolarHBondContact O-CA 3.41Å; P370-I439 HydrophobicContact CG-CG2 4.21Å; V374-I439 HydrophobicContact CB-CD1 3.71Å; V374-I439 HydrophobicContact CG1-CD1 4.06Å; V374-I439 HydrophobicContact CG2-CD1 3.8Å; V374-I439 HydrophobicContact CG2-CG1 4.19Å; L418-I439 HydrophobicContact CB-CB 4.34Å; L418-I439 HydrophobicContact CD2-CD1 4.31Å; L418-I439 PolarHBondContact N-O 3.2Å; L418-I439 PolarHBondContact O-N 2.88Å; F437-I439 HydrophobicContact CD2-CG1 4.11Å; F437-I439 HydrophobicContact CE2-CD1 4Å; F437-I439 HydrophobicContact CE2-CG1 3.66Å; I439-K441 HydrophobicContact CG2-CG 4.36Å
440	I	98.3	Very high	95.3	Very high	33 Å²	33	52 Å²	52	17%	0.169	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126	179	-55.7	174.5	0	0	0	108.1	Y367 E368 N369 T416 T438	Y367-I440 PolarHBondContact O-N 3.21Å; E368-I440 HydrophobicContact CB-CB 4.4Å; E368-I440 HydrophobicContact CG-CB 4.28Å; E368-I440 HydrophobicContact CG-CG2 4.39Å; N369-I440 PolarHBondContact N-O 3.46Å; T416-I440 CarbonylContact O-C 3.59Å; T416-I440 VanDerWaalsContact O-CA 3.26Å; T416-I440 WeakPolarHBondContact O-CA 3.18Å; T438-I440 HydrophobicContact CG2-CG1 3.89Å
441	K	97	Very high	94.9	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.026	28%	0.28	C	S	.	.			trans	-134.9	126.8	176.2	-72.8	-170.6	67.7	170.5	0	111.5	W280 D336 N369 T416 I439 K443 H444	W280-K441 HydrophobicContact CH2-CB 4.07Å; W280-K441 HydrophobicContact CH2-CD 4.41Å; W280-K441 HydrophobicContact CH2-CG 4.12Å; W280-K441 HydrophobicContact CZ3-CB 4.41Å; W280-K441 HydrophobicContact CZ3-CD 3.95Å; W280-K441 HydrophobicContact CZ3-CG 4.15Å; D336-K441 WeakPolarHBondContact OD1-CD 3.28Å; D336-K441 WeakPolarHBondContact OD1-CE 3.36Å; D336-K441 IonicContact OD1-NZ 3Å; D336-K441 PolarHBondContact OD1-NZ 2.74Å; N369-K441 WeakPolarHBondContact OD1-CA 3.47Å; T416-K441 WeakPolarHBondContact CA-O 3.07Å; T416-K441 VanDerWaalsContact CB-O 3.31Å; T416-K441 WeakPolarHBondContact CB-O 3.37Å; T416-K441 WeakPolarHBondContact CG2-O 3.5Å; T416-K441 PolarHBondContact O-N 2.91Å; I439-K441 HydrophobicContact CG2-CG 4.36Å; K441-K443 WeakPolarHBondContact CE-O 3.46Å; K441-H444 VanDerWaalsContact CB-CE1 3.5Å; K441-H444 WeakPolarHBondContact CB-CE1 3.17Å
442	D	95.3	Very high	94.1	Very high	111 Å²	111	49 Å²	49	59%	0.594	28%	0.278	S	S	*	.	S	Bend	trans	-82	-29.3	173.5	-63.4	-39.8	0	0	0	112.1	N369	N369-D442 PolarHBondContact ND2-OD2 3.26Å; N369-D442 PolarHBondContact OD1-N 2.83Å
443	K	95.2	Very high	92.2	Very high	152 Å²	152	50 Å²	50	66%	0.661	29%	0.287	S	S	*	.			trans	-136.7	144.7	-178.8	-65.8	-177.7	-176.9	174.4	0	110.8	K441 L448	K441-K443 WeakPolarHBondContact CE-O 3.46Å; K443-L448 HydrophobicContact CB-CD1 3.89Å; K443-L448 WeakPolarHBondContact O-CD1 3.4Å
444	H	96.3	Very high	90	Very high	38 Å²	38	56.2 Å²	56.2	18%	0.176	31%	0.309	C	S	.	.			trans	-128	152.2	-179.4	-64.1	-88.3	0	0	0	110.1	R275 P279 W280 D336 V415 K441	R275-H444 HydrophobicContact CG-CB 4.14Å; P279-H444 HydrophobicContact CB-CB 4.15Å; P279-H444 VanDerWaalsContact CB-CD2 3.43Å; P279-H444 WeakPolarHBondContact CB-CD2 3.22Å; P279-H444 PolarHBondContact O-ND1 2.75Å; P279-H444 VanDerWaalsContact O-ND1 3.16Å; W280-H444 AromaticContact CD2-CE1 3.79Å; W280-H444 AromaticContact CE2-CE1 3.95Å; W280-H444 AromaticContact CE3-CE1 3.67Å; W280-H444 AromaticContact CH2-CE1 3.92Å; W280-H444 AromaticContact CZ3-CE1 3.74Å; D336-H444 IonicContact OD1-ND1 2.61Å; D336-H444 IonicContact OD2-ND1 2.84Å; V415-H444 PolarHBondContact O-NE2 3Å; K441-H444 VanDerWaalsContact CB-CE1 3.5Å; K441-H444 WeakPolarHBondContact CB-CE1 3.17Å
445	G	94.3	Very high	87.7	Confident	6 Å²	6	61.7 Å²	61.7	6%	0.062	34%	0.338	C	S	.	.	S	Bend	trans	129.3	177.3	177.6	0	0	0	0	0	114.4
446	P	94.3	Very high	85.2	Confident	68 Å²	68	64.3 Å²	64.3	44%	0.442	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	152.3	-175	31	-35.2	0	0	0	111.9	N270 Q332 Y333 L448	N270-P446 WeakPolarHBondContact OD1-CD 3.46Å; Q332-P446 VanDerWaalsContact O-CA 3.24Å; Q332-P446 WeakPolarHBondContact O-CA 3.5Å; Q332-P446 VanDerWaalsContact O-CB 3.24Å; Q332-P446 WeakPolarHBondContact O-CB 3.21Å; Y333-P446 HydrophobicContact CD1-CB 4.5Å; P446-L448 PolarHBondContact O-N 3.43Å
447	G	89.2	Confident	82.9	Confident	67 Å²	67	67.2 Å²	67.2	69%	0.691	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	12.3	175	0	0	0	0	0	116	Q332	Q332-G447 PolarHBondContact O-N 3.05Å
448	L	90.7	Very high	80.7	Confident	73 Å²	73	68.9 Å²	68.9	38%	0.382	37%	0.371	S	S	.	.			trans	-82.2	-25.7	177	-67.8	-178.3	0	0	0	113.5	K443 P446	K443-L448 HydrophobicContact CB-CD1 3.89Å; K443-L448 WeakPolarHBondContact O-CD1 3.4Å; P446-L448 PolarHBondContact O-N 3.43Å
449	Y	93.7	Very high	78.4	Confident	9 Å²	9	69.9 Å²	69.9	4%	0.035	37%	0.371	C	S	.	.			trans	-70.8	138.3	177.2	-65.1	-42.1	0	0	0	111	Y331 V335 P370 D371 A372 P373	Y331-Y449 AromaticContact CD2-CD2 3.92Å; Y331-Y449 HydrophobicContact CD2-CD2 3.92Å; Y331-Y449 HydrophobicContact CD2-CG 4.28Å; Y331-Y449 HydrophobicContact CE2-CD2 4.12Å; Y331-Y449 HydrophobicContact CE2-CG 4.02Å; Y331-Y449 HydrophobicContact CG-CD2 4.19Å; Y331-Y449 VanDerWaalsContact O-CD2 3.24Å; Y331-Y449 WeakPolarHBondContact O-CD2 3.43Å; Y331-Y449 WeakPolarHBondContact OH-CB 3.27Å; Y331-Y449 PolarHBondContact OH-O 2.89Å; V335-Y449 PolarHBondContact O-OH 2.92Å; P370-Y449 VanDerWaalsContact O-CD1 3.28Å; P370-Y449 WeakPolarHBondContact O-CD1 3.34Å; P370-Y449 VanDerWaalsContact O-CE1 3.26Å; P370-Y449 WeakPolarHBondContact O-CE1 3.16Å; D371-Y449 VanDerWaalsContact O-CB 3.29Å; D371-Y449 WeakPolarHBondContact O-CB 3.38Å; A372-Y449 VanDerWaalsContact C-CE1 3.45Å; A372-Y449 VanDerWaalsContact N-CD1 3.31Å; P373-Y449 HydrophobicContact CG-CD2 4.3Å; P373-Y449 HydrophobicContact CG-CE2 3.66Å
450	T	89.5	Confident	76.3	Confident	53 Å²	53	72.8 Å²	72.8	33%	0.325	38%	0.383	S	S	.	.			trans	-116.2	-0	-174.2	71.8	0	0	0	0	113.8	Y331 D371 H452 N453	Y331-T450 PolarHBondContact OH-N 2.88Å; D371-T450 PolarHBondContact O-N 2.56Å; D371-T450 PolarHBondContact OD1-OG1 2.94Å; T450-H452 PolarHBondContact O-N 2.81Å; T450-N453 WeakPolarHBondContact O-CB 3.31Å
451	C	83.9	Confident	74.2	Confident	15 Å²	15	75.5 Å²	75.5	10%	0.101	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	131.3	175.4	-157	0	0	0	0	111.5	Y331 C358 D371 A372 N453	Y331-C451 HydrophobicContact CE2-CB 4.06Å; Y331-C451 WeakPolarHBondContact OH-CA 3.33Å; Y331-C451 PolarHBondContact OH-N 2.95Å; Y331-C451 PolarHBondContact OH-O 3.31Å; C358-C451 HydrophobicContact CB-CB 3.57Å; C358-C451 WeakPolarHBondContact CB-SG 3.36Å; C358-C451 WeakPolarHBondContact SG-CB 3.22Å; C358-C451 CovalentContact SG-SG 2.02Å; C358-C451 PolarHBondContact SG-SG 2.9Å; D371-C451 WeakPolarHBondContact O-CB 3.26Å; D371-C451 PolarHBondContact O-N 2.93Å; A372-C451 HydrophobicContact CB-CB 4.46Å; C451-N453 PolarHBondContact O-N 2.99Å
452	H	74.5	Confident	72.1	Confident	69 Å²	69	78.3 Å²	78.3	32%	0.319	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	41.7	-179	-54.8	-50.8	0	0	0	115.1	Y353 T356 T450 K454 D455	Y353-H452 HydrophobicContact CD1-CB 4.42Å; Y353-H452 AromaticContact CD1-CD2 3.45Å; Y353-H452 VanDerWaalsContact CD1-CD2 3.45Å; Y353-H452 WeakPolarHBondContact CD1-CD2 3.42Å; Y353-H452 HydrophobicContact CE1-CB 4.4Å; Y353-H452 AromaticContact CE1-CD2 3.95Å; Y353-H452 PolarHBondContact O-NE2 3.19Å; T356-H452 WeakPolarHBondContact CB-CE1 3.42Å; T356-H452 VanDerWaalsContact CB-NE2 3.32Å; T356-H452 WeakPolarHBondContact CB-NE2 3.24Å; T356-H452 PolarHBondContact OG1-CE1 2.91Å; T356-H452 VanDerWaalsContact OG1-CE1 3.24Å; T356-H452 PolarHBondContact OG1-NE2 3.21Å; T450-H452 PolarHBondContact O-N 2.81Å; H452-K454 PolarHBondContact O-N 2.81Å; H452-D455 PolarHBondContact O-N 2.88Å
453	N	57	Low	70.1	Confident	125 Å²	125	77.8 Å²	77.8	67%	0.668	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	31.2	-175	-126.2	-18.4	0	0	0	117.4	T450 C451	T450-N453 WeakPolarHBondContact O-CB 3.31Å; C451-N453 PolarHBondContact O-N 2.99Å
454	K	50	Low	67.7	Low	193 Å²	193	77.7 Å²	77.7	84%	0.839	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	-8.9	177.9	-68.1	-167.2	177.8	179.2	0	118	H452	H452-K454 PolarHBondContact O-N 2.81Å
455	D	49.4	Very low	64.7	Low	148 Å²	148	84.4 Å²	84.4	79%	0.791	46%	0.459	S	S	*	.			trans	-132.4	14.9	-165.5	-67.1	-40.4	0	0	0	118.6	H452	H452-D455 PolarHBondContact O-N 2.88Å
456	S	46.5	Very low	63.3	Low	67 Å²	67	88.3 Å²	88.3	47%	0.469	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-90.8	123.1	-179.4	53.7	0	0	0	0	114
457	F	50.1	Low	61.6	Low	126 Å²	126	89.4 Å²	89.4	55%	0.553	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-82.8	141.1	170.7	-118.1	-97.3	0	0	0	109.9	N328	N328-F457 PolarHBondContact ND2-O 3.34Å
458	D	53.1	Low	60.1	Low	49 Å²	49	90.6 Å²	90.6	26%	0.262	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-89.5	144	172	-165.5	-33	0	0	0	110.6	Y460 D461	D458-Y460 VanDerWaalsContact C-N 3.27Å; D458-Y460 PolarHBondContact O-N 3.48Å; D458-Y460 PolarHBondContact OD1-N 3.49Å; D458-D461 HydrophobicContact CB-CB 4.47Å; D458-D461 WeakPolarHBondContact CB-OD2 3.41Å; D458-D461 PolarHBondContact N-OD2 3.3Å; D458-D461 WeakPolarHBondContact O-CB 3.49Å; D458-D461 PolarHBondContact O-N 3.11Å
459	Y	50	Low	58.3	Low	59 Å²	59	91.6 Å²	91.6	23%	0.231	47%	0.474	C	S	.	.	S	Bend	trans	-59.5	-38.1	173.8	171.2	-94.4	0	0	0	111.8	Y259 L323 D461 I462 L463	Y259-Y459 HydrophobicContact CD1-CE2 4.34Å; Y259-Y459 HydrophobicContact CE1-CD1 4.11Å; Y259-Y459 AromaticContact CE1-CD2 3.73Å; Y259-Y459 HydrophobicContact CE1-CD2 3.73Å; Y259-Y459 HydrophobicContact CE1-CE1 4.16Å; Y259-Y459 AromaticContact CE1-CE2 3.78Å; Y259-Y459 HydrophobicContact CE1-CE2 3.78Å; Y259-Y459 AromaticContact CE1-CG 3.9Å; Y259-Y459 HydrophobicContact CE1-CG 3.9Å; L323-Y459 HydrophobicContact CD1-CD2 4.18Å; L323-Y459 HydrophobicContact CD1-CE2 3.63Å; Y459-D461 VanDerWaalsContact C-N 3.29Å; Y459-D461 PolarHBondContact O-N 3Å; Y459-I462 PolarHBondContact O-N 3.02Å; Y459-L463 HydrophobicContact CD1-CD1 4.31Å; Y459-L463 HydrophobicContact CE1-CD1 3.53Å; Y459-L463 HydrophobicContact CE1-CG 4.4Å
460	Y	54.5	Low	56.1	Low	61 Å²	61	96.8 Å²	96.8	24%	0.239	50%	0.501	C	S	.	.	H	α-helix	trans	-75.7	-17.5	-178.5	-72.8	-83.5	0	0	0	113.5	Y263 D458 I462 L463 D464	Y263-Y460 AromaticContact CD1-CE2 3.77Å; Y263-Y460 HydrophobicContact CD1-CE2 3.77Å; Y263-Y460 AromaticContact CD1-CZ 3.71Å; Y263-Y460 WeakPolarHBondContact CD1-OH 3.05Å; Y263-Y460 AromaticContact CD2-CE2 3.64Å; Y263-Y460 HydrophobicContact CD2-CE2 3.64Å; Y263-Y460 HydrophobicContact CE1-CD2 4.32Å; Y263-Y460 HydrophobicContact CE1-CE1 4.43Å; Y263-Y460 AromaticContact CE1-CE2 3.33Å; Y263-Y460 HydrophobicContact CE1-CE2 3.33Å; Y263-Y460 AromaticContact CE1-CZ 3.37Å; Y263-Y460 WeakPolarHBondContact CE1-OH 3.26Å; Y263-Y460 AromaticContact CE2-CD2 3.8Å; Y263-Y460 HydrophobicContact CE2-CD2 3.8Å; Y263-Y460 AromaticContact CE2-CE2 3.19Å; Y263-Y460 HydrophobicContact CE2-CE2 3.19Å; Y263-Y460 AromaticContact CG-CE2 3.9Å; Y263-Y460 HydrophobicContact CG-CE2 3.9Å; Y263-Y460 AromaticContact CZ-CD2 3.68Å; Y263-Y460 AromaticContact CZ-CE2 3.04Å; Y263-Y460 AromaticContact CZ-CZ 3.62Å; Y263-Y460 WeakPolarHBondContact OH-CE2 3.16Å; D458-Y460 VanDerWaalsContact C-N 3.27Å; D458-Y460 PolarHBondContact O-N 3.48Å; D458-Y460 PolarHBondContact OD1-N 3.49Å; Y460-I462 PolarHBondContact O-N 2.9Å; Y460-I462 VanDerWaalsContact O-N 3.12Å; Y460-L463 HydrophobicContact CD1-CD1 4.17Å; Y460-L463 HydrophobicContact CE1-CD1 4.18Å; Y460-L463 PolarHBondContact O-N 2.92Å; Y460-L463 VanDerWaalsContact O-N 3.09Å; Y460-D464 PolarHBondContact O-N 2.94Å
461	D	54.6	Low	53.9	Low	91 Å²	91	99.7 Å²	99.7	49%	0.487	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-19.5	171.1	-66	-27.4	0	0	0	112.3	D458 Y459	D458-D461 HydrophobicContact CB-CB 4.47Å; D458-D461 WeakPolarHBondContact CB-OD2 3.41Å; D458-D461 PolarHBondContact N-OD2 3.3Å; D458-D461 WeakPolarHBondContact O-CB 3.49Å; D458-D461 PolarHBondContact O-N 3.11Å; Y459-D461 VanDerWaalsContact C-N 3.29Å; Y459-D461 PolarHBondContact O-N 3Å
462	I	52.7	Low	51.7	Low	65 Å²	65	105.8 Å²	105.8	33%	0.333	54%	0.543	S	S	.	.	H	α-helix	trans	-88.8	-27.6	177.7	-58.6	173.6	0	0	0	111.7	V321 Y459 Y460	V321-I462 HydrophobicContact CG1-CD1 3.74Å; Y459-I462 PolarHBondContact O-N 3.02Å; Y460-I462 PolarHBondContact O-N 2.9Å; Y460-I462 VanDerWaalsContact O-N 3.12Å
463	L	52.5	Low	50	Low	100 Å²	100	108.6 Å²	108.6	52%	0.524	56%	0.56	S	S	.	*	H	α-helix	trans	-88.6	-14.1	-178.5	-65.8	179.9	0	0	0	113.3	Y459 Y460 V465	Y459-L463 HydrophobicContact CD1-CD1 4.31Å; Y459-L463 HydrophobicContact CE1-CD1 3.53Å; Y459-L463 HydrophobicContact CE1-CG 4.4Å; Y460-L463 HydrophobicContact CD1-CD1 4.17Å; Y460-L463 HydrophobicContact CE1-CD1 4.18Å; Y460-L463 PolarHBondContact O-N 2.92Å; Y460-L463 VanDerWaalsContact O-N 3.09Å; L463-V465 PolarHBondContact O-N 3.04Å
464	D	44.4	Very low	49.4	Very low	149 Å²	149	107.3 Å²	107.3	80%	0.797	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	19.9	170.9	-83.3	-23	0	0	0	113.5	Y460	Y460-D464 PolarHBondContact O-N 2.94Å
465	V	34.7	Very low	49.3	Very low	179 Å²	179	99.5 Å²	99.5	100%	1.085	53%	0.525	S	S	*	.			trans	-118.7	0	166.6	-169.8	0	0	0	0	109.4	L463	L463-V465 PolarHBondContact O-N 3.04Å

Retrieved 465 of 465 residues in 157.9 ms (Link to these results)

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