A0A5K4FA55_SCHMA Loading...

Phospholipid scramblase

May mediate accelerated ATP-independent bidirectional transbilayer migration of phospholipids upon binding calcium ions that results in a loss of phospholipid asymmetry in the plasma membrane.

AlphaFold DB , UniProt , Accession A0A5K4FA55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 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	36.5	Very low	65.8	Low	242 Å²	242	112.9 Å²	112.9	100%	1.192	62%	0.616	S	S	*	*				0	130.5	0	-76.9	174.4	173.1	0	0	108	R3	M1-R3 PolarHBondContact O-N 3.18Å
2	Q	36.7	Very low	67.8	Low	200 Å²	200	104.2 Å²	104.2	94%	0.935	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-65	126.9	167.9	-80.9	178	-17.7	0	0	108
3	R	53.2	Low	69.8	Low	114 Å²	114	96.2 Å²	96.2	43%	0.43	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-73	136.6	-177.9	-166.2	177.1	-179.6	-168.2	0.4	108.7	M1 A5 E14	M1-R3 PolarHBondContact O-N 3.18Å; R3-A5 PolarHBondContact O-N 3.4Å; R3-A5 VanDerWaalsContact O-N 3.14Å; R3-E14 WeakPolarHBondContact CD-OE1 3.37Å; R3-E14 VanDerWaalsContact CZ-CB 3.45Å; R3-E14 IonicContact CZ-OE1 2.65Å; R3-E14 VanDerWaalsContact CZ-OE1 3.31Å; R3-E14 IonicContact CZ-OE2 3.94Å; R3-E14 IonicContact NE-OE1 2.71Å; R3-E14 IonicContact NE-OE2 3.51Å; R3-E14 IonicContact NH1-OE1 2.69Å; R3-E14 PolarHBondContact NH1-OE1 3.35Å; R3-E14 IonicContact NH1-OE2 3.99Å; R3-E14 PolarHBondContact NH1-OE2 3.23Å; R3-E14 VanDerWaalsContact NH2-CA 3.27Å; R3-E14 IonicContact NH2-OE2 3.1Å; R3-E14 PolarHBondContact NH2-OE2 3.01Å
4	P	48.4	Very low	71.5	Confident	111 Å²	111	91 Å²	91	72%	0.721	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-57.7	121.6	172.9	-20.8	31.3	0	0	0	109.3	V6	P4-V6 PolarHBondContact O-N 3.48Å; P4-V6 VanDerWaalsContact O-N 3.11Å
5	A	57.4	Low	73	Confident	94 Å²	94	89 Å²	89	78%	0.777	48%	0.481	S	S	*	.			trans	-68	109.3	175.6	0	0	0	0	0	108.3	R3 I7	R3-A5 PolarHBondContact O-N 3.4Å; R3-A5 VanDerWaalsContact O-N 3.14Å; A5-I7 PolarHBondContact O-N 3.41Å
6	V	69.7	Low	74.4	Confident	61 Å²	61	83.4 Å²	83.4	37%	0.37	45%	0.451	S	S	.	.			trans	-71	121.9	166.7	-179.4	0	0	0	0	106.7	P4 N8 C9 E14 T17	P4-V6 PolarHBondContact O-N 3.48Å; P4-V6 VanDerWaalsContact O-N 3.11Å; V6-N8 PolarHBondContact O-N 2.93Å; V6-C9 HydrophobicContact CB-CB 3.7Å; V6-C9 HydrophobicContact CG1-CB 3.97Å; V6-C9 VanDerWaalsContact O-CB 3.26Å; V6-C9 WeakPolarHBondContact O-CB 3.35Å; V6-C9 PolarHBondContact O-N 3.11Å; V6-E14 HydrophobicContact CG2-CB 4.21Å; V6-E14 HydrophobicContact CG2-CG 4.47Å; V6-T17 HydrophobicContact CB-CG2 4.46Å; V6-T17 HydrophobicContact CG1-CG2 4.06Å; V6-T17 HydrophobicContact CG2-CG2 4.22Å
7	I	71.3	Confident	75.6	Confident	148 Å²	148	80.8 Å²	80.8	76%	0.759	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	131.5	-176.3	-58.6	174.6	0	0	0	109.2	A5 C9	A5-I7 PolarHBondContact O-N 3.41Å; I7-C9 PolarHBondContact O-N 3.21Å
8	N	80.1	Confident	76.6	Confident	154 Å²	154	83.9 Å²	83.9	82%	0.824	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	14.3	-178.6	-58.2	-33.7	0	0	0	116.3	V6	V6-N8 PolarHBondContact O-N 2.93Å
9	C	89.4	Confident	77.6	Confident	19 Å²	19	80.3 Å²	80.3	13%	0.128	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-86.3	124.2	174.1	-168.4	0	0	0	0	110.6	V6 I7 E14	V6-C9 HydrophobicContact CB-CB 3.7Å; V6-C9 HydrophobicContact CG1-CB 3.97Å; V6-C9 VanDerWaalsContact O-CB 3.26Å; V6-C9 WeakPolarHBondContact O-CB 3.35Å; V6-C9 PolarHBondContact O-N 3.11Å; I7-C9 PolarHBondContact O-N 3.21Å; C9-E14 HydrophobicContact CB-CG 4.24Å
10	P	90.9	Very high	78.5	Confident	11 Å²	11	80 Å²	80	7%	0.071	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-56.8	138.6	172.7	-25	34.7	0	0	0	111.5	G12 L13 K208	P10-G12 PolarHBondContact O-N 2.68Å; P10-L13 HydrophobicContact CB-CD1 3.9Å; P10-L13 HydrophobicContact CB-CG 4.09Å; P10-L13 HydrophobicContact CG-CD1 3.85Å; P10-L13 PolarHBondContact O-N 2.99Å; P10-L13 VanDerWaalsContact O-N 3.09Å; P10-K208 HydrophobicContact CG-CG 4.21Å
11	P	90.5	Very high	79.3	Confident	88 Å²	88	79.5 Å²	79.5	57%	0.571	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	129.4	178.3	-25.2	33.8	0	0	0	111.8
12	G	89	Confident	82.1	Confident	8 Å²	8	68 Å²	68	8%	0.082	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	-23.2	-177.4	0	0	0	0	0	114.5	P10 E14 Y54	P10-G12 PolarHBondContact O-N 2.68Å; G12-E14 WeakPolarHBondContact CA-OE2 2.96Å; G12-E14 PolarHBondContact N-OE2 2.95Å; G12-Y54 PolarHBondContact O-OH 3.37Å
13	L	94.4	Very high	84.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.33	C	S	.	.			trans	-88.9	-5.7	-177.3	-58.2	-166.7	0	0	0	114.9	P10 Y15 L16 I87 A211	P10-L13 HydrophobicContact CB-CD1 3.9Å; P10-L13 HydrophobicContact CB-CG 4.09Å; P10-L13 HydrophobicContact CG-CD1 3.85Å; P10-L13 PolarHBondContact O-N 2.99Å; P10-L13 VanDerWaalsContact O-N 3.09Å; L13-Y15 PolarHBondContact O-N 3.28Å; L13-L16 HydrophobicContact CB-CD1 4.38Å; L13-L16 HydrophobicContact CD2-CD1 4.12Å; L13-L16 WeakPolarHBondContact O-CA 3.5Å; L13-L16 VanDerWaalsContact O-CB 3.22Å; L13-L16 WeakPolarHBondContact O-CB 3.45Å; L13-L16 PolarHBondContact O-N 3.14Å; L13-I87 HydrophobicContact CD2-CD1 3.63Å; L13-I87 HydrophobicContact CD2-CG1 3.52Å; L13-A211 HydrophobicContact CD1-CB 4.09Å; L13-A211 HydrophobicContact CD2-CB 4.36Å
14	E	93.8	Very high	86.8	Confident	24 Å²	24	54.5 Å²	54.5	11%	0.112	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-7.3	-172.3	-35.8	78.8	120.8	0	0	113	R3 V6 C9 G12 T17	R3-E14 WeakPolarHBondContact CD-OE1 3.37Å; R3-E14 VanDerWaalsContact CZ-CB 3.45Å; R3-E14 IonicContact CZ-OE1 2.65Å; R3-E14 VanDerWaalsContact CZ-OE1 3.31Å; R3-E14 IonicContact CZ-OE2 3.94Å; R3-E14 IonicContact NE-OE1 2.71Å; R3-E14 IonicContact NE-OE2 3.51Å; R3-E14 IonicContact NH1-OE1 2.69Å; R3-E14 PolarHBondContact NH1-OE1 3.35Å; R3-E14 IonicContact NH1-OE2 3.99Å; R3-E14 PolarHBondContact NH1-OE2 3.23Å; R3-E14 VanDerWaalsContact NH2-CA 3.27Å; R3-E14 IonicContact NH2-OE2 3.1Å; R3-E14 PolarHBondContact NH2-OE2 3.01Å; V6-E14 HydrophobicContact CG2-CB 4.21Å; V6-E14 HydrophobicContact CG2-CG 4.47Å; C9-E14 HydrophobicContact CB-CG 4.24Å; G12-E14 WeakPolarHBondContact CA-OE2 2.96Å; G12-E14 PolarHBondContact N-OE2 2.95Å; E14-T17 PolarHBondContact O-OG1 3.18Å
15	Y	94.1	Very high	88.7	Confident	61 Å²	61	53.3 Å²	53.3	24%	0.239	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-33.3	169.3	-164.7	-79.9	0	0	0	110.2	L13 T17 Q18 I19 N47 V53	L13-Y15 PolarHBondContact O-N 3.28Å; Y15-T17 PolarHBondContact O-N 3.13Å; Y15-T17 VanDerWaalsContact O-N 3.16Å; Y15-Q18 PolarHBondContact O-N 3.4Å; Y15-I19 HydrophobicContact CD1-CD1 4.02Å; Y15-I19 HydrophobicContact CD1-CG1 4.48Å; Y15-I19 HydrophobicContact CD1-CG2 4.13Å; Y15-I19 HydrophobicContact CE1-CD1 4.15Å; Y15-I19 HydrophobicContact CE1-CG2 3.62Å; Y15-N47 HydrophobicContact CE1-CB 4.49Å; Y15-N47 PolarHBondContact OH-ND2 2.96Å; Y15-V53 HydrophobicContact CD1-CB 4.34Å; Y15-V53 HydrophobicContact CD1-CG1 3.36Å; Y15-V53 HydrophobicContact CD1-CG2 4.01Å; Y15-V53 HydrophobicContact CE1-CB 4.2Å; Y15-V53 HydrophobicContact CE1-CG1 3.7Å; Y15-V53 HydrophobicContact CE1-CG2 3.41Å; Y15-V53 VanDerWaalsContact CE1-CG2 3.41Å; Y15-V53 HydrophobicContact CG-CG1 3.87Å
16	L	95.6	Very high	90	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-64.4	-17.2	176.8	-59.8	-179.1	0	0	0	112.9	L13 Q18 I19 L22 Y54 V207 K210 A211	L13-L16 HydrophobicContact CB-CD1 4.38Å; L13-L16 HydrophobicContact CD2-CD1 4.12Å; L13-L16 WeakPolarHBondContact O-CA 3.5Å; L13-L16 VanDerWaalsContact O-CB 3.22Å; L13-L16 WeakPolarHBondContact O-CB 3.45Å; L13-L16 PolarHBondContact O-N 3.14Å; L16-Q18 PolarHBondContact O-N 2.81Å; L16-I19 HydrophobicContact CD2-CD1 3.95Å; L16-I19 HydrophobicContact CD2-CG1 4.43Å; L16-L22 HydrophobicContact CD2-CD1 3.89Å; L16-Y54 HydrophobicContact CD2-CE2 3.88Å; L16-Y54 HydrophobicContact CG-CE2 4.4Å; L16-V207 HydrophobicContact CB-CG1 4.49Å; L16-K210 HydrophobicContact CB-CB 4.37Å; L16-K210 HydrophobicContact CB-CD 4.09Å; L16-K210 HydrophobicContact CD1-CB 4.06Å; L16-K210 VanDerWaalsContact O-CD 3.25Å; L16-K210 WeakPolarHBondContact O-CD 3.45Å; L16-K210 PolarHBondContact O-NZ 3.25Å; L16-A211 HydrophobicContact CD1-CB 4.1Å
17	T	94.4	Very high	90.5	Very high	39 Å²	39	51.6 Å²	51.6	24%	0.239	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-73.7	-17	175.1	65.3	0	0	0	0	112.5	V6 E14 Y15 V207	V6-T17 HydrophobicContact CB-CG2 4.46Å; V6-T17 HydrophobicContact CG1-CG2 4.06Å; V6-T17 HydrophobicContact CG2-CG2 4.22Å; E14-T17 PolarHBondContact O-OG1 3.18Å; Y15-T17 PolarHBondContact O-N 3.13Å; Y15-T17 VanDerWaalsContact O-N 3.16Å; T17-V207 HydrophobicContact CG2-CG1 3.37Å
18	Q	94.1	Very high	90.3	Very high	136 Å²	136	51.2 Å²	51.2	64%	0.636	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-109.8	4	-171.5	-55.1	-178.4	18.4	0	0	113.1	Y15 L16	Y15-Q18 PolarHBondContact O-N 3.4Å; L16-Q18 PolarHBondContact O-N 2.81Å
19	I	95	Very high	89.3	Confident	15 Å²	15	49.4 Å²	49.4	8%	0.077	26%	0.257	C	S	.	.			trans	-134	155.2	-178.5	63.5	172.8	0	0	0	111	Y15 L16 L22 F201 K210	Y15-I19 HydrophobicContact CD1-CD1 4.02Å; Y15-I19 HydrophobicContact CD1-CG1 4.48Å; Y15-I19 HydrophobicContact CD1-CG2 4.13Å; Y15-I19 HydrophobicContact CE1-CD1 4.15Å; Y15-I19 HydrophobicContact CE1-CG2 3.62Å; L16-I19 HydrophobicContact CD2-CD1 3.95Å; L16-I19 HydrophobicContact CD2-CG1 4.43Å; I19-L22 HydrophobicContact CD1-CD1 4.19Å; I19-L22 HydrophobicContact CD1-CD2 3.43Å; I19-L22 VanDerWaalsContact CD1-CD2 3.43Å; I19-L22 HydrophobicContact CD1-CG 3.59Å; I19-F201 WeakPolarHBondContact O-CE2 3.31Å; I19-K210 PolarHBondContact O-NZ 3.29Å
20	D	95.7	Very high	87.4	Confident	75 Å²	75	53 Å²	53	40%	0.401	29%	0.288	S	S	.	.	S	Bend	trans	-114.7	-6.4	174.3	52.7	2.3	0	0	0	112.1	S200 F201 M203	D20-S200 CarbonylContact O-C 3.45Å; D20-S200 VanDerWaalsContact O-CA 3.27Å; D20-S200 WeakPolarHBondContact O-CA 3.42Å; D20-F201 WeakPolarHBondContact CA-O 3.18Å; D20-F201 VanDerWaalsContact CB-O 3.26Å; D20-F201 WeakPolarHBondContact CB-O 3.48Å; D20-F201 WeakPolarHBondContact O-CD2 3.37Å; D20-F201 PolarHBondContact O-N 2.84Å; D20-M203 HydrophobicContact CB-CG 3.97Å; D20-M203 HydrophobicContact CB-SD 3.72Å; D20-M203 PolarHBondContact N-SD 3.22Å
21	Q	95.9	Very high	85.2	Confident	70 Å²	70	59.5 Å²	59.5	33%	0.327	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.8	-175.7	-173.3	174.5	-24.9	0	0	112.6	T48 V199	Q21-T48 HydrophobicContact CB-CG2 4.04Å; Q21-T48 HydrophobicContact CG-CG2 4.28Å; Q21-V199 CarbonylContact C-O 3.57Å; Q21-V199 VanDerWaalsContact CA-O 3.26Å; Q21-V199 WeakPolarHBondContact CA-O 3.35Å; Q21-V199 WeakPolarHBondContact CG-O 3.26Å
22	L	95.4	Very high	83	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.3	167.8	-74.5	170	0	0	0	110.6	L16 I19 C45 Y46 V53 G198 V199 L214	L16-L22 HydrophobicContact CD2-CD1 3.89Å; I19-L22 HydrophobicContact CD1-CD1 4.19Å; I19-L22 HydrophobicContact CD1-CD2 3.43Å; I19-L22 VanDerWaalsContact CD1-CD2 3.43Å; I19-L22 HydrophobicContact CD1-CG 3.59Å; L22-C45 HydrophobicContact CD2-CB 4.46Å; L22-Y46 WeakPolarHBondContact CA-O 3.37Å; L22-Y46 WeakPolarHBondContact CD2-O 3.45Å; L22-V53 HydrophobicContact CD2-CB 4.07Å; L22-V53 HydrophobicContact CD2-CG1 4.22Å; L22-V53 HydrophobicContact CD2-CG2 3.96Å; L22-G198 WeakPolarHBondContact O-CA 3.49Å; L22-V199 HydrophobicContact CB-CG1 3.85Å; L22-V199 PolarHBondContact N-O 2.89Å; L22-V199 PolarHBondContact O-N 2.69Å; L22-L214 HydrophobicContact CD1-CD1 4.02Å; L22-L214 HydrophobicContact CD1-CD2 3.95Å; L22-L214 HydrophobicContact CD1-CG 4.43Å
23	L	94.2	Very high	81.2	Confident	30 Å²	30	68.6 Å²	68.6	16%	0.157	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.2	173.9	-59.6	174.4	0	0	0	108.7	C45 Y46 D195 F197	L23-C45 CarbonylContact O-C 3.59Å; L23-C45 VanDerWaalsContact O-CA 3.23Å; L23-C45 WeakPolarHBondContact O-CA 3.39Å; L23-Y46 PolarHBondContact N-O 3.14Å; L23-Y46 PolarHBondContact O-N 2.8Å; L23-D195 WeakPolarHBondContact CB-OD1 3.39Å; L23-F197 CarbonylContact C-O 3.53Å
24	V	93.1	Very high	79.2	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.006	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.3	-178.1	-175	0	0	0	0	109.1	Y43 N196 F197 L214 V217 F218	V24-Y43 HydrophobicContact CG1-CD1 3.97Å; V24-Y43 HydrophobicContact CG1-CG 4.35Å; V24-N196 PolarHBondContact O-N 3.17Å; V24-N196 VanDerWaalsContact O-N 3.16Å; V24-F197 HydrophobicContact CB-CB 4.32Å; V24-F197 PolarHBondContact N-O 3.45Å; V24-F197 PolarHBondContact O-N 2.97Å; V24-L214 HydrophobicContact CG2-CD1 3.92Å; V24-V217 HydrophobicContact CB-CG1 4.29Å; V24-V217 HydrophobicContact CG2-CG1 4.03Å; V24-F218 HydrophobicContact CG1-CE1 3.67Å; V24-F218 HydrophobicContact CG1-CZ 3.7Å
25	K	88.2	Confident	77.2	Confident	85 Å²	85	77.8 Å²	77.8	37%	0.37	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.7	180	-175.7	175.9	-178.7	168.9	0	110.2	Y43 T44 Y46 A194	K25-Y43 CarbonylContact O-C 3.48Å; K25-Y43 WeakPolarHBondContact O-CA 3.13Å; K25-Y43 WeakPolarHBondContact O-CB 3.46Å; K25-T44 PolarHBondContact N-O 3.33Å; K25-T44 PolarHBondContact O-N 3.28Å; K25-Y46 HydrophobicContact CB-CD2 4.35Å; K25-Y46 HydrophobicContact CB-CE2 3.9Å; K25-Y46 HydrophobicContact CD-CE2 4.2Å; K25-A194 HydrophobicContact CD-CB 3.78Å; K25-A194 VanDerWaalsContact CE-CB 3.47Å; K25-A194 HydrophobicContact CG-CB 4.42Å; K25-A194 VanDerWaalsContact NZ-CB 3.33Å
26	Q	84.6	Confident	75.3	Confident	56 Å²	56	80.9 Å²	80.9	26%	0.262	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.3	169.1	-164.2	178.7	17.4	0	0	108.9	N41 R42 Y43 N196	Q26-N41 PolarHBondContact NE2-OD1 2.84Å; Q26-R42 WeakPolarHBondContact CA-O 3.24Å; Q26-Y43 VanDerWaalsContact CA-CD1 3.45Å; Q26-Y43 HydrophobicContact CB-CD1 3.74Å; Q26-Y43 HydrophobicContact CB-CE1 3.64Å; Q26-Y43 HydrophobicContact CG-CD1 4.06Å; Q26-Y43 HydrophobicContact CG-CE1 3.69Å; Q26-N196 WeakPolarHBondContact CB-ND2 3.47Å; Q26-N196 PolarHBondContact N-ND2 2.96Å
27	V	81.6	Confident	73.4	Confident	63 Å²	63	84.9 Å²	84.9	38%	0.382	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	109.3	170.8	-177.1	0	0	0	0	106.3	R42	V27-R42 HydrophobicContact CB-CB 4.12Å; V27-R42 PolarHBondContact N-O 2.74Å
28	I	66.8	Low	71.5	Confident	141 Å²	141	90.3 Å²	90.3	72%	0.723	47%	0.474	S	S	*	.			trans	-84.5	117.7	170.7	-54.5	173.6	0	0	0	105.7	A30	I28-A30 PolarHBondContact O-N 2.8Å
29	D	58.9	Low	70.1	Confident	116 Å²	116	84.7 Å²	84.7	62%	0.62	45%	0.449	S	S	*	.			trans	-48.9	125	-173.6	-73.9	-40.5	0	0	0	112.6
30	A	49.3	Very low	68.7	Low	93 Å²	93	88.6 Å²	88.6	77%	0.769	46%	0.463	S	S	*	.			trans	-131.4	-22.1	160	0	0	0	0	0	113.8	I28	I28-A30 PolarHBondContact O-N 2.8Å
31	I	44.7	Very low	68	Low	149 Å²	149	85.4 Å²	85.4	76%	0.764	45%	0.446	S	S	*	.	S	Bend	trans	-148.2	115.3	-174.3	-54.3	-179.6	0	0	0	111
32	E	44.7	Very low	67.5	Low	184 Å²	184	85 Å²	85	86%	0.86	44%	0.441	S	S	*	.			trans	-4.6	126	166.1	-59	176.7	159.5	0	0	118.1
33	T	49.8	Very low	67.3	Low	103 Å²	103	85.2 Å²	85.2	63%	0.632	44%	0.442	S	S	*	.			trans	-165.4	117.7	158.1	-2.9	0	0	0	0	119.2	L35	T33-L35 PolarHBondContact O-N 3.34Å
34	I	54.3	Low	67.2	Low	163 Å²	163	84.6 Å²	84.6	84%	0.836	44%	0.44	S	S	*	.			trans	55.1	-20	147.2	-56.7	167	0	0	0	122.3
35	L	51.7	Low	67.3	Low	54 Å²	54	84.6 Å²	84.6	28%	0.283	44%	0.439	S	S	.	.			trans	-78.9	135.1	177.1	-64.5	-174.8	0	0	0	111.7	T33 Y37 V39 Y57	T33-L35 PolarHBondContact O-N 3.34Å; L35-Y37 HydrophobicContact CD1-CE2 3.99Å; L35-Y37 PolarHBondContact O-N 2.91Å; L35-V39 HydrophobicContact CD1-CG1 3.76Å; L35-V39 HydrophobicContact CD1-CG2 4.25Å; L35-Y57 HydrophobicContact CD1-CD1 4.17Å; L35-Y57 HydrophobicContact CD1-CD2 4.18Å; L35-Y57 HydrophobicContact CD1-CE1 4.34Å; L35-Y57 HydrophobicContact CD1-CE2 4.41Å; L35-Y57 HydrophobicContact CD1-CG 4.08Å
36	P	53.5	Low	67.5	Low	125 Å²	125	83.6 Å²	83.6	81%	0.812	43%	0.434	S	S	*	.	S	Bend	trans	-72.6	-3.3	-179.9	26.5	-30.3	0	0	0	114
37	Y	56.3	Low	67.9	Low	85 Å²	85	81.2 Å²	81.2	33%	0.333	42%	0.423	S	S	.	.	S	Bend	trans	-127.6	149.2	-178.5	49	-90.5	0	0	0	111.6	L35 V39 Y57	L35-Y37 HydrophobicContact CD1-CE2 3.99Å; L35-Y37 PolarHBondContact O-N 2.91Å; Y37-V39 HydrophobicContact CD2-CG1 3.41Å; Y37-V39 VanDerWaalsContact CD2-CG1 3.41Å; Y37-V39 HydrophobicContact CE2-CG1 3.22Å; Y37-V39 PolarHBondContact O-N 2.95Å; Y37-V39 VanDerWaalsContact O-N 3.13Å; Y37-Y57 HydrophobicContact CE2-CD2 4.34Å; Y37-Y57 HydrophobicContact CE2-CE2 4.14Å; Y37-Y57 AromaticContact CZ-CE2 3.98Å; Y37-Y57 WeakPolarHBondContact OH-CE2 3.47Å; Y37-Y57 VanDerWaalsContact OH-CZ 3.27Å; Y37-Y57 PolarHBondContact OH-OH 2.79Å
38	E	54.8	Low	68.2	Low	153 Å²	153	82.4 Å²	82.4	72%	0.715	43%	0.43	S	S	*	.			trans	-66	106	171.6	-69.9	-176.3	170.9	0	0	110.4	R65	E38-R65 PolarHBondContact O-NH1 2.95Å
39	V	63	Low	69.3	Low	17 Å²	17	82 Å²	82	10%	0.103	43%	0.429	C	S	.	.			trans	-93.7	136.7	168.4	-65.1	0	0	0	0	110.1	L35 Y37 R42 Y57	L35-V39 HydrophobicContact CD1-CG1 3.76Å; L35-V39 HydrophobicContact CD1-CG2 4.25Å; Y37-V39 HydrophobicContact CD2-CG1 3.41Å; Y37-V39 VanDerWaalsContact CD2-CG1 3.41Å; Y37-V39 HydrophobicContact CE2-CG1 3.22Å; Y37-V39 PolarHBondContact O-N 2.95Å; Y37-V39 VanDerWaalsContact O-N 3.13Å; V39-R42 HydrophobicContact CG2-CG 3.7Å; V39-Y57 HydrophobicContact CG1-CD2 4.11Å
40	R	66.1	Low	70.7	Confident	98 Å²	98	79 Å²	79	37%	0.37	43%	0.425	S	S	.	.	S	Bend	trans	-84.6	-42.3	-179.6	-172.8	-177.3	173.6	115.9	2.6	111.9	E226	R40-E226 IonicContact CZ-OE1 3.74Å; R40-E226 IonicContact NE-OE1 3.67Å; R40-E226 PolarHBondContact NE-OE1 2.79Å; R40-E226 IonicContact NH2-OE1 3.14Å
41	N	80.6	Confident	72.7	Confident	8 Å²	8	79.6 Å²	79.6	4%	0.043	41%	0.412	C	S	.	.			trans	-125.9	117.3	-171.4	-66.1	-48.2	0	0	0	110.7	Q26 Y43 Y57 E58 R72 F222 E226	Q26-N41 PolarHBondContact NE2-OD1 2.84Å; N41-Y43 HydrophobicContact CB-CE2 3.65Å; N41-Y57 WeakPolarHBondContact O-CA 3.45Å; N41-E58 HydrophobicContact CB-CB 4.09Å; N41-E58 PolarHBondContact ND2-OE2 3.04Å; N41-E58 PolarHBondContact O-N 3.11Å; N41-R72 PolarHBondContact ND2-NH2 2.92Å; N41-F222 HydrophobicContact CB-CE1 3.77Å; N41-F222 HydrophobicContact CB-CZ 4.31Å; N41-E226 PolarHBondContact ND2-OE1 2.97Å; N41-E226 VanDerWaalsContact ND2-OE1 3.14Å
42	R	86.4	Confident	75	Confident	61 Å²	61	74.3 Å²	74.3	23%	0.23	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145	173.8	-66.5	-179.7	-176.8	-83.9	6.4	109.5	Q26 V27 V39 C56	Q26-R42 WeakPolarHBondContact CA-O 3.24Å; V27-R42 HydrophobicContact CB-CB 4.12Å; V27-R42 PolarHBondContact N-O 2.74Å; V39-R42 HydrophobicContact CG2-CG 3.7Å; R42-C56 CarbonylContact C-O 3.6Å; R42-C56 WeakPolarHBondContact CA-O 3.43Å
43	Y	90.3	Very high	77.4	Confident	5 Å²	5	65.8 Å²	65.8	2%	0.02	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.1	178.6	-53.3	-102.3	0	0	0	111.2	V24 K25 Q26 N41 C56 F218 D221 F222	V24-Y43 HydrophobicContact CG1-CD1 3.97Å; V24-Y43 HydrophobicContact CG1-CG 4.35Å; K25-Y43 CarbonylContact O-C 3.48Å; K25-Y43 WeakPolarHBondContact O-CA 3.13Å; K25-Y43 WeakPolarHBondContact O-CB 3.46Å; Q26-Y43 VanDerWaalsContact CA-CD1 3.45Å; Q26-Y43 HydrophobicContact CB-CD1 3.74Å; Q26-Y43 HydrophobicContact CB-CE1 3.64Å; Q26-Y43 HydrophobicContact CG-CD1 4.06Å; Q26-Y43 HydrophobicContact CG-CE1 3.69Å; N41-Y43 HydrophobicContact CB-CE2 3.65Å; Y43-C56 PolarHBondContact N-O 2.88Å; Y43-C56 PolarHBondContact O-N 3.4Å; Y43-F218 HydrophobicContact CD1-CE1 4.02Å; Y43-F218 AromaticContact CD2-CD1 3.97Å; Y43-F218 HydrophobicContact CD2-CD1 3.97Å; Y43-F218 AromaticContact CD2-CE1 3.62Å; Y43-F218 HydrophobicContact CD2-CE1 3.62Å; Y43-F218 HydrophobicContact CE2-CD1 4.06Å; Y43-F218 HydrophobicContact CE2-CE1 4.17Å; Y43-F218 HydrophobicContact CG-CD1 4.23Å; Y43-F218 AromaticContact CG-CE1 3.56Å; Y43-F218 HydrophobicContact CG-CE1 3.56Å; Y43-D221 VanDerWaalsContact CE1-OD2 3.23Å; Y43-D221 WeakPolarHBondContact CE1-OD2 3.36Å; Y43-D221 VanDerWaalsContact CZ-OD2 3.29Å; Y43-D221 PolarHBondContact OH-OD2 3.17Å; Y43-F222 AromaticContact CE2-CE1 3.94Å; Y43-F222 HydrophobicContact CE2-CE1 3.94Å; Y43-F222 AromaticContact CE2-CZ 3.98Å; Y43-F222 HydrophobicContact CE2-CZ 3.98Å; Y43-F222 AromaticContact CZ-CE1 3.99Å; Y43-F222 WeakPolarHBondContact OH-CE1 3.45Å
44	T	92.8	Very high	79.6	Confident	17 Å²	17	61 Å²	61	10%	0.104	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.9	166.4	-54.3	0	0	0	0	108.6	K25 Y46 Y54 R55	K25-T44 PolarHBondContact N-O 3.33Å; K25-T44 PolarHBondContact O-N 3.28Å; T44-Y46 HydrophobicContact CG2-CD1 4.42Å; T44-Y46 HydrophobicContact CG2-CD2 4.23Å; T44-Y46 HydrophobicContact CG2-CE1 3.83Å; T44-Y46 HydrophobicContact CG2-CE2 3.59Å; T44-Y46 WeakPolarHBondContact CG2-OH 3.48Å; T44-Y54 WeakPolarHBondContact CA-O 3.23Å; T44-R55 HydrophobicContact CG2-CG 4.45Å
45	C	94.2	Very high	81.6	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.4	173.8	-55.7	0	0	0	0	109.1	L22 L23 V53 Y54 C56	L22-C45 HydrophobicContact CD2-CB 4.46Å; L23-C45 CarbonylContact O-C 3.59Å; L23-C45 VanDerWaalsContact O-CA 3.23Å; L23-C45 WeakPolarHBondContact O-CA 3.39Å; C45-V53 PolarHBondContact O-N 2.81Å; C45-Y54 HydrophobicContact CB-CD2 4.37Å; C45-Y54 PolarHBondContact N-O 3.46Å; C45-Y54 PolarHBondContact O-N 2.93Å; C45-C56 VanDerWaalsContact SG-SG 3.65Å
46	Y	93.8	Very high	83.6	Confident	65 Å²	65	55.6 Å²	55.6	26%	0.255	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	153.8	178.9	-58.2	-90.7	0	0	0	110.8	L22 L23 K25 T44 G50 Q51	L22-Y46 WeakPolarHBondContact CA-O 3.37Å; L22-Y46 WeakPolarHBondContact CD2-O 3.45Å; L23-Y46 PolarHBondContact N-O 3.14Å; L23-Y46 PolarHBondContact O-N 2.8Å; K25-Y46 HydrophobicContact CB-CD2 4.35Å; K25-Y46 HydrophobicContact CB-CE2 3.9Å; K25-Y46 HydrophobicContact CD-CE2 4.2Å; T44-Y46 HydrophobicContact CG2-CD1 4.42Å; T44-Y46 HydrophobicContact CG2-CD2 4.23Å; T44-Y46 HydrophobicContact CG2-CE1 3.83Å; T44-Y46 HydrophobicContact CG2-CE2 3.59Å; T44-Y46 WeakPolarHBondContact CG2-OH 3.48Å; Y46-G50 WeakPolarHBondContact CD1-O 3.13Å; Y46-Q51 VanDerWaalsContact CA-O 3.26Å; Y46-Q51 WeakPolarHBondContact CA-O 3.48Å
47	N	92.3	Very high	85.4	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.032	25%	0.252	C	S	.	.			trans	-82.4	179.7	163	70.5	6.4	0	0	0	110.6	Y15 L49 G50 Q51 V53	Y15-N47 HydrophobicContact CE1-CB 4.49Å; Y15-N47 PolarHBondContact OH-ND2 2.96Å; N47-L49 PolarHBondContact O-N 2.79Å; N47-L49 WeakPolarHBondContact OD1-CA 3.26Å; N47-L49 WeakPolarHBondContact OD1-CB 3.22Å; N47-L49 PolarHBondContact OD1-N 3.1Å; N47-G50 PolarHBondContact O-N 3.13Å; N47-G50 PolarHBondContact OD1-N 2.96Å; N47-G50 VanDerWaalsContact OD1-N 3.13Å; N47-Q51 PolarHBondContact N-O 3.37Å; N47-Q51 PolarHBondContact ND2-OE1 3.38Å; N47-Q51 WeakPolarHBondContact OD1-CB 3.43Å; N47-Q51 PolarHBondContact OD1-N 3.35Å; N47-V53 HydrophobicContact CB-CG2 3.92Å
48	T	88.3	Confident	86.8	Confident	87 Å²	87	47.2 Å²	47.2	53%	0.534	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.9	178	52.6	0	0	0	0	114.3	Q21 G50	Q21-T48 HydrophobicContact CB-CG2 4.04Å; Q21-T48 HydrophobicContact CG-CG2 4.28Å; T48-G50 VanDerWaalsContact C-N 3.34Å
49	L	89.6	Confident	88.2	Confident	134 Å²	134	44.1 Å²	44.1	70%	0.702	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	4.2	173.9	-57.9	176.9	0	0	0	112.7	N47 Q51	N47-L49 PolarHBondContact O-N 2.79Å; N47-L49 WeakPolarHBondContact OD1-CA 3.26Å; N47-L49 WeakPolarHBondContact OD1-CB 3.22Å; N47-L49 PolarHBondContact OD1-N 3.1Å; L49-Q51 VanDerWaalsContact C-N 3.27Å; L49-Q51 HydrophobicContact CB-CG 4.24Å; L49-Q51 PolarHBondContact O-N 3.12Å
50	G	88.7	Confident	88.6	Confident	51 Å²	51	43.8 Å²	43.8	53%	0.526	22%	0.221	S	C	.	.	S	Bend	trans	74	13.8	-178.2	0	0	0	0	0	114.4	Y46 N47 T48	Y46-G50 WeakPolarHBondContact CD1-O 3.13Å; N47-G50 PolarHBondContact O-N 3.13Å; N47-G50 PolarHBondContact OD1-N 2.96Å; N47-G50 VanDerWaalsContact OD1-N 3.13Å; T48-G50 VanDerWaalsContact C-N 3.34Å
51	Q	91.3	Very high	88.4	Confident	107 Å²	107	44.4 Å²	44.4	50%	0.5	23%	0.231	S	C	.	.			trans	-85.1	133.4	177.2	-58	172.5	-31	0	0	110.2	Y46 N47 L49 V53	Y46-Q51 VanDerWaalsContact CA-O 3.26Å; Y46-Q51 WeakPolarHBondContact CA-O 3.48Å; N47-Q51 PolarHBondContact N-O 3.37Å; N47-Q51 PolarHBondContact ND2-OE1 3.38Å; N47-Q51 WeakPolarHBondContact OD1-CB 3.43Å; N47-Q51 PolarHBondContact OD1-N 3.35Å; L49-Q51 VanDerWaalsContact C-N 3.27Å; L49-Q51 HydrophobicContact CB-CG 4.24Å; L49-Q51 PolarHBondContact O-N 3.12Å; Q51-V53 PolarHBondContact O-N 2.84Å
52	S	93	Very high	87.1	Confident	37 Å²	37	49.9 Å²	49.9	26%	0.259	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	126.4	173.3	171.8	0	0	0	0	110.4	N81	S52-N81 PolarHBondContact O-ND2 2.94Å; S52-N81 PolarHBondContact O-OD1 2.75Å; S52-N81 PolarHBondContact OG-OD1 3.47Å
53	V	94.7	Very high	85.3	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.03	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-49.4	175.9	-176.9	0	0	0	0	110.2	Y15 L22 C45 N47 Q51	Y15-V53 HydrophobicContact CD1-CB 4.34Å; Y15-V53 HydrophobicContact CD1-CG1 3.36Å; Y15-V53 HydrophobicContact CD1-CG2 4.01Å; Y15-V53 HydrophobicContact CE1-CB 4.2Å; Y15-V53 HydrophobicContact CE1-CG1 3.7Å; Y15-V53 HydrophobicContact CE1-CG2 3.41Å; Y15-V53 VanDerWaalsContact CE1-CG2 3.41Å; Y15-V53 HydrophobicContact CG-CG1 3.87Å; L22-V53 HydrophobicContact CD2-CB 4.07Å; L22-V53 HydrophobicContact CD2-CG1 4.22Å; L22-V53 HydrophobicContact CD2-CG2 3.96Å; C45-V53 PolarHBondContact O-N 2.81Å; N47-V53 HydrophobicContact CB-CG2 3.92Å; Q51-V53 PolarHBondContact O-N 2.84Å
54	Y	96.2	Very high	83.5	Confident	3 Å²	3	51.5 Å²	51.5	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151.4	179.5	-58.9	-61.7	0	0	0	111.9	G12 L16 T44 C45 I78 L79 N80 V86 L214	G12-Y54 PolarHBondContact O-OH 3.37Å; L16-Y54 HydrophobicContact CD2-CE2 3.88Å; L16-Y54 HydrophobicContact CG-CE2 4.4Å; T44-Y54 WeakPolarHBondContact CA-O 3.23Å; C45-Y54 HydrophobicContact CB-CD2 4.37Å; C45-Y54 PolarHBondContact N-O 3.46Å; C45-Y54 PolarHBondContact O-N 2.93Å; Y54-I78 HydrophobicContact CD1-CG2 4.11Å; Y54-I78 HydrophobicContact CD2-CG2 4.28Å; Y54-I78 HydrophobicContact CG-CG2 3.79Å; Y54-L79 CarbonylContact C-O 3.53Å; Y54-L79 WeakPolarHBondContact CA-O 3.46Å; Y54-L79 WeakPolarHBondContact CB-O 3.22Å; Y54-L79 WeakPolarHBondContact CD1-O 3.48Å; Y54-N80 HydrophobicContact CD1-CB 4.45Å; Y54-N80 HydrophobicContact CE1-CB 4.4Å; Y54-V86 HydrophobicContact CD1-CG2 4.04Å; Y54-V86 HydrophobicContact CE1-CG2 3.73Å; Y54-L214 HydrophobicContact CD2-CD2 3.95Å; Y54-L214 HydrophobicContact CE2-CD2 4.22Å
55	R	95.1	Very high	81.6	Confident	100 Å²	100	53.5 Å²	53.5	38%	0.377	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.4	165.5	-75	178.7	-79.4	162.8	-2.1	108.4	T44 L79 N81 N83	T44-R55 HydrophobicContact CG2-CG 4.45Å; R55-L79 PolarHBondContact N-O 2.96Å; R55-L79 WeakPolarHBondContact O-CD1 3.26Å; R55-L79 PolarHBondContact O-N 2.95Å; R55-N81 PolarHBondContact NH2-O 2.62Å; R55-N83 PolarHBondContact NH1-OD1 3.23Å; R55-N83 PolarHBondContact NH2-OD1 3.13Å
56	C	94	Very high	79.6	Confident	4 Å²	4	58.5 Å²	58.5	3%	0.027	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.9	-176.4	-43.4	0	0	0	0	110.6	R42 Y43 C45 L76 H77 I78 F218	R42-C56 CarbonylContact C-O 3.6Å; R42-C56 WeakPolarHBondContact CA-O 3.43Å; Y43-C56 PolarHBondContact N-O 2.88Å; Y43-C56 PolarHBondContact O-N 3.4Å; C45-C56 VanDerWaalsContact SG-SG 3.65Å; C56-L76 HydrophobicContact CB-CD1 4.34Å; C56-H77 CarbonylContact C-O 3.47Å; C56-H77 WeakPolarHBondContact CA-O 3.34Å; C56-I78 HydrophobicContact CB-CG1 4.35Å; C56-F218 HydrophobicContact CB-CE1 4.1Å; C56-F218 HydrophobicContact CB-CZ 3.89Å; C56-F218 VanDerWaalsContact SG-CZ 3.57Å
57	Y	90.8	Very high	77.6	Confident	33 Å²	33	63.8 Å²	63.8	13%	0.129	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149.9	170.6	63.8	-96.9	0	0	0	111.2	L35 Y37 V39 N41 H77 L79	L35-Y57 HydrophobicContact CD1-CD1 4.17Å; L35-Y57 HydrophobicContact CD1-CD2 4.18Å; L35-Y57 HydrophobicContact CD1-CE1 4.34Å; L35-Y57 HydrophobicContact CD1-CE2 4.41Å; L35-Y57 HydrophobicContact CD1-CG 4.08Å; Y37-Y57 HydrophobicContact CE2-CD2 4.34Å; Y37-Y57 HydrophobicContact CE2-CE2 4.14Å; Y37-Y57 AromaticContact CZ-CE2 3.98Å; Y37-Y57 WeakPolarHBondContact OH-CE2 3.47Å; Y37-Y57 VanDerWaalsContact OH-CZ 3.27Å; Y37-Y57 PolarHBondContact OH-OH 2.79Å; V39-Y57 HydrophobicContact CG1-CD2 4.11Å; N41-Y57 WeakPolarHBondContact O-CA 3.45Å; Y57-H77 HydrophobicContact CD1-CB 4.28Å; Y57-H77 HydrophobicContact CD2-CB 4.17Å; Y57-H77 AromaticContact CD2-CD2 3.73Å; Y57-H77 HydrophobicContact CE1-CB 3.84Å; Y57-H77 HydrophobicContact CE2-CB 3.66Å; Y57-H77 AromaticContact CE2-CD2 3.13Å; Y57-H77 WeakPolarHBondContact CE2-CD2 3.29Å; Y57-H77 AromaticContact CE2-CG 3.46Å; Y57-H77 VanDerWaalsContact CE2-CG 3.46Å; Y57-H77 AromaticContact CE2-NE2 3.96Å; Y57-H77 HydrophobicContact CG-CB 4.43Å; Y57-H77 VanDerWaalsContact CZ-CB 3.46Å; Y57-H77 AromaticContact CZ-CD2 3.78Å; Y57-H77 AromaticContact CZ-CG 3.58Å; Y57-H77 PolarHBondContact N-O 3.4Å; Y57-H77 PolarHBondContact O-N 2.95Å; Y57-L79 HydrophobicContact CD1-CD1 3.66Å; Y57-L79 HydrophobicContact CE1-CD1 3.28Å; Y57-L79 HydrophobicContact CE1-CD2 4.11Å; Y57-L79 HydrophobicContact CE1-CG 4.35Å
58	E	87.4	Confident	75.9	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.1	177.4	-165.8	-156.7	157	0	0	111	N41 R72 F74 F222	N41-E58 HydrophobicContact CB-CB 4.09Å; N41-E58 PolarHBondContact ND2-OE2 3.04Å; N41-E58 PolarHBondContact O-N 3.11Å; E58-R72 VanDerWaalsContact CD-NH2 3.27Å; E58-R72 IonicContact OE1-CZ 2.68Å; E58-R72 IonicContact OE1-NE 2.81Å; E58-R72 IonicContact OE1-NH1 3.98Å; E58-R72 PolarHBondContact OE1-NH1 3.38Å; E58-R72 IonicContact OE1-NH2 2.61Å; E58-R72 PolarHBondContact OE1-NH2 2.8Å; E58-R72 IonicContact OE2-CZ 3.89Å; E58-R72 IonicContact OE2-NH1 2.79Å; E58-R72 PolarHBondContact OE2-NH1 3.33Å; E58-R72 IonicContact OE2-NH2 2.96Å; E58-R72 PolarHBondContact OE2-NH2 3.08Å; E58-F74 HydrophobicContact CG-CB 3.9Å; E58-F74 HydrophobicContact CG-CG 4.36Å; E58-F74 WeakPolarHBondContact OE1-CB 3.45Å; E58-F222 HydrophobicContact CB-CZ 4.01Å; E58-F222 HydrophobicContact CG-CE2 4.33Å; E58-F222 HydrophobicContact CG-CZ 3.96Å
59	E	83.5	Confident	74.8	Confident	88 Å²	88	62.7 Å²	62.7	41%	0.411	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126	163.3	-173.6	-177	156.9	0	0	109.2	V75 H77	E59-V75 HydrophobicContact CB-CB 4.38Å; E59-V75 PolarHBondContact N-O 3.26Å; E59-V75 PolarHBondContact O-N 2.78Å; E59-H77 WeakPolarHBondContact CB-NE2 3.43Å; E59-H77 IonicContact OE2-CE1 3.5Å; E59-H77 IonicContact OE2-NE2 3.62Å; E59-H77 PolarHBondContact OE2-NE2 2.81Å; E59-H77 VanDerWaalsContact OE2-NE2 3.14Å
60	S	71.9	Confident	73.6	Confident	10 Å²	10	57.8 Å²	57.8	7%	0.07	31%	0.308	C	S	.	.			trans	-148.7	144.1	175.9	57.7	0	0	0	0	110.2	R65 R72	S60-R65 PolarHBondContact O-NE 3.28Å; S60-R65 VanDerWaalsContact O-NE 3.13Å; S60-R65 PolarHBondContact O-NH2 2.84Å; S60-R65 WeakPolarHBondContact OG-CD 3.4Å; S60-R72 PolarHBondContact OG-NH1 2.97Å
61	D	62.1	Low	72.6	Confident	111 Å²	111	55.9 Å²	55.9	59%	0.594	29%	0.286	S	S	*	.			trans	-66.6	142.9	180	-74.9	-44.5	0	0	0	112.4	C63 S64 R65	D61-C63 VanDerWaalsContact C-N 3.29Å; D61-C63 PolarHBondContact O-N 3.05Å; D61-S64 PolarHBondContact O-N 2.61Å; D61-S64 PolarHBondContact O-OG 2.74Å; D61-R65 VanDerWaalsContact C-NE 3.35Å; D61-R65 VanDerWaalsContact O-CG 3.24Å; D61-R65 WeakPolarHBondContact O-CG 3.3Å; D61-R65 PolarHBondContact O-N 2.92Å; D61-R65 VanDerWaalsContact O-N 3.12Å; D61-R65 PolarHBondContact O-NE 2.82Å; D61-R65 VanDerWaalsContact O-NE 3.1Å
62	F	52.6	Low	71.7	Confident	123 Å²	123	51.2 Å²	51.2	54%	0.539	26%	0.264	S	S	.	.	H	α-helix	trans	-58.5	-40.4	175.5	-177.9	-95.4	0	0	0	112.4	R65 I66	F62-R65 WeakPolarHBondContact O-CB 3.49Å; F62-R65 PolarHBondContact O-N 2.87Å; F62-I66 HydrophobicContact CD1-CD1 4.12Å; F62-I66 HydrophobicContact CE1-CD1 3.42Å; F62-I66 VanDerWaalsContact CE1-CD1 3.42Å; F62-I66 HydrophobicContact CE1-CG1 4.43Å; F62-I66 HydrophobicContact CZ-CD1 3.69Å; F62-I66 PolarHBondContact O-N 2.81Å
63	C	48	Very low	71.3	Confident	88 Å²	88	51.4 Å²	51.4	60%	0.595	27%	0.265	S	S	*	.	H	α-helix	trans	-67.8	-38.3	179.9	-64.7	0	0	0	0	112.6	D61 R65 I66 F67	D61-C63 VanDerWaalsContact C-N 3.29Å; D61-C63 PolarHBondContact O-N 3.05Å; C63-R65 VanDerWaalsContact C-N 3.27Å; C63-R65 PolarHBondContact O-N 2.92Å; C63-I66 PolarHBondContact O-N 3.4Å; C63-F67 WeakPolarHBondContact O-CD2 3.08Å; C63-F67 PolarHBondContact O-N 3.09Å
64	S	53.4	Low	70.9	Confident	13 Å²	13	51.6 Å²	51.6	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-69.8	-28.2	175.2	67.6	0	0	0	0	111.8	D61 C68	D61-S64 PolarHBondContact O-N 2.61Å; D61-S64 PolarHBondContact O-OG 2.74Å; S64-C68 VanDerWaalsContact O-CB 3.29Å; S64-C68 WeakPolarHBondContact O-CB 3.17Å; S64-C68 PolarHBondContact O-N 2.93Å
65	R	53.3	Low	70.7	Confident	59 Å²	59	53.2 Å²	53.2	22%	0.223	28%	0.275	C	S	.	.	H	α-helix	trans	-65.5	-33.4	176.4	-75.1	177.6	-88.5	-164.1	4.4	113.7	E38 S60 D61 F62 C63	E38-R65 PolarHBondContact O-NH1 2.95Å; S60-R65 PolarHBondContact O-NE 3.28Å; S60-R65 VanDerWaalsContact O-NE 3.13Å; S60-R65 PolarHBondContact O-NH2 2.84Å; S60-R65 WeakPolarHBondContact OG-CD 3.4Å; D61-R65 VanDerWaalsContact C-NE 3.35Å; D61-R65 VanDerWaalsContact O-CG 3.24Å; D61-R65 WeakPolarHBondContact O-CG 3.3Å; D61-R65 PolarHBondContact O-N 2.92Å; D61-R65 VanDerWaalsContact O-N 3.12Å; D61-R65 PolarHBondContact O-NE 2.82Å; D61-R65 VanDerWaalsContact O-NE 3.1Å; F62-R65 WeakPolarHBondContact O-CB 3.49Å; F62-R65 PolarHBondContact O-N 2.87Å; C63-R65 VanDerWaalsContact C-N 3.27Å; C63-R65 PolarHBondContact O-N 2.92Å
66	I	52.1	Low	70.7	Confident	105 Å²	105	48.5 Å²	48.5	54%	0.538	26%	0.257	S	S	.	.	H	α-helix	trans	-82.8	-44.8	179.5	-64.6	176.8	0	0	0	111.5	F62 C63	F62-I66 HydrophobicContact CD1-CD1 4.12Å; F62-I66 HydrophobicContact CE1-CD1 3.42Å; F62-I66 VanDerWaalsContact CE1-CD1 3.42Å; F62-I66 HydrophobicContact CE1-CG1 4.43Å; F62-I66 HydrophobicContact CZ-CD1 3.69Å; F62-I66 PolarHBondContact O-N 2.81Å; C63-I66 PolarHBondContact O-N 3.4Å
67	F	51.7	Low	70.7	Confident	176 Å²	176	48.6 Å²	48.6	77%	0.772	26%	0.258	S	S	*	.	H	α-helix	trans	-97.8	-23.5	-167.2	-66	-74.5	0	0	0	114.7	C63	C63-F67 WeakPolarHBondContact O-CD2 3.08Å; C63-F67 PolarHBondContact O-N 3.09Å
68	C	56.6	Low	71	Confident	40 Å²	40	47 Å²	47	27%	0.27	25%	0.251	S	S	.	.			trans	-108.7	-12.1	-168.6	-56	0	0	0	0	115	S64 S71 R72 F93	S64-C68 VanDerWaalsContact O-CB 3.29Å; S64-C68 WeakPolarHBondContact O-CB 3.17Å; S64-C68 PolarHBondContact O-N 2.93Å; C68-S71 VanDerWaalsContact O-CB 3.26Å; C68-S71 WeakPolarHBondContact O-CB 3.17Å; C68-S71 PolarHBondContact O-N 3.18Å; C68-R72 HydrophobicContact CB-CB 4.17Å; C68-F93 HydrophobicContact CB-CE2 4.29Å
69	G	65.2	Low	71.5	Confident	29 Å²	29	48 Å²	48	30%	0.299	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	49.2	-133.7	-178.9	0	0	0	0	0	112.6	S71 R72	G69-S71 PolarHBondContact O-N 3.04Å; G69-S71 VanDerWaalsContact O-N 3.14Å; G69-R72 WeakPolarHBondContact O-CB 3.34Å; G69-R72 WeakPolarHBondContact O-CD 3.36Å; G69-R72 VanDerWaalsContact O-CG 3.23Å; G69-R72 WeakPolarHBondContact O-CG 3.46Å; G69-R72 PolarHBondContact O-N 3.28Å
70	P	63.4	Low	72	Confident	31 Å²	31	45 Å²	45	20%	0.201	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.6	-16.4	177.3	-22.2	33.5	0	0	0	115.1	R72 K223	P70-R72 PolarHBondContact O-N 2.73Å; P70-K223 HydrophobicContact CB-CD 4.31Å; P70-K223 VanDerWaalsContact O-CE 3.26Å; P70-K223 WeakPolarHBondContact O-CE 3.45Å; P70-K223 PolarHBondContact O-NZ 3.04Å
71	S	67.5	Low	72.8	Confident	11 Å²	11	48.3 Å²	48.3	8%	0.077	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-72.8	-15.6	176.4	-72.2	0	0	0	0	113.8	C68 G69 R91 R94 D96	C68-S71 VanDerWaalsContact O-CB 3.26Å; C68-S71 WeakPolarHBondContact O-CB 3.17Å; C68-S71 PolarHBondContact O-N 3.18Å; G69-S71 PolarHBondContact O-N 3.04Å; G69-S71 VanDerWaalsContact O-N 3.14Å; S71-R91 VanDerWaalsContact C-NH1 3.29Å; S71-R91 PolarHBondContact O-NH1 3.07Å; S71-R94 WeakPolarHBondContact CB-O 3.47Å; S71-R94 PolarHBondContact OG-O 3.16Å; S71-R94 VanDerWaalsContact OG-O 3.06Å; S71-D96 WeakPolarHBondContact OG-CB 3.47Å; S71-D96 PolarHBondContact OG-N 3.42Å; S71-D96 VanDerWaalsContact OG-N 3.12Å
72	R	74.1	Confident	74.2	Confident	10 Å²	10	49.3 Å²	49.3	4%	0.038	27%	0.266	C	S	.	.			trans	-54.9	133.9	-170.7	67.3	-167.4	173.9	114.3	5.6	113.5	N41 E58 S60 C68 G69 P70 R91 E226	N41-R72 PolarHBondContact ND2-NH2 2.92Å; E58-R72 VanDerWaalsContact CD-NH2 3.27Å; E58-R72 IonicContact OE1-CZ 2.68Å; E58-R72 IonicContact OE1-NE 2.81Å; E58-R72 IonicContact OE1-NH1 3.98Å; E58-R72 PolarHBondContact OE1-NH1 3.38Å; E58-R72 IonicContact OE1-NH2 2.61Å; E58-R72 PolarHBondContact OE1-NH2 2.8Å; E58-R72 IonicContact OE2-CZ 3.89Å; E58-R72 IonicContact OE2-NH1 2.79Å; E58-R72 PolarHBondContact OE2-NH1 3.33Å; E58-R72 IonicContact OE2-NH2 2.96Å; E58-R72 PolarHBondContact OE2-NH2 3.08Å; S60-R72 PolarHBondContact OG-NH1 2.97Å; C68-R72 HydrophobicContact CB-CB 4.17Å; G69-R72 WeakPolarHBondContact O-CB 3.34Å; G69-R72 WeakPolarHBondContact O-CD 3.36Å; G69-R72 VanDerWaalsContact O-CG 3.23Å; G69-R72 WeakPolarHBondContact O-CG 3.46Å; G69-R72 PolarHBondContact O-N 3.28Å; P70-R72 PolarHBondContact O-N 2.73Å; R72-R91 PolarHBondContact O-NH1 3.34Å; R72-E226 IonicContact CZ-OE2 3Å; R72-E226 IonicContact NH2-OE1 3.03Å; R72-E226 PolarHBondContact NH2-OE1 3.2Å; R72-E226 IonicContact NH2-OE2 3.05Å; R72-E226 PolarHBondContact NH2-OE2 3.29Å
73	P	83.8	Confident	76.1	Confident	41 Å²	41	48.3 Å²	48.3	27%	0.266	27%	0.266	S	S	.	.			trans	-59.9	146.6	166.6	29.1	-34.3	0	0	0	109.2	R91	P73-R91 VanDerWaalsContact CA-O 3.23Å; P73-R91 WeakPolarHBondContact CA-O 3.23Å; P73-R91 WeakPolarHBondContact CB-O 3.4Å
74	F	86.5	Confident	78.3	Confident	9 Å²	9	47 Å²	47	4%	0.039	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	154	172.9	66.1	-108.4	0	0	0	110.7	E58 L76 R91 L111 L219 F222	E58-F74 HydrophobicContact CG-CB 3.9Å; E58-F74 HydrophobicContact CG-CG 4.36Å; E58-F74 WeakPolarHBondContact OE1-CB 3.45Å; F74-L76 HydrophobicContact CD2-CB 4.42Å; F74-L76 HydrophobicContact CE2-CB 4.38Å; F74-R91 HydrophobicContact CD1-CB 3.93Å; F74-R91 HydrophobicContact CD1-CG 4.42Å; F74-R91 HydrophobicContact CD2-CB 4.06Å; F74-R91 HydrophobicContact CE1-CB 3.74Å; F74-R91 HydrophobicContact CE1-CG 4.03Å; F74-R91 HydrophobicContact CE2-CB 3.82Å; F74-R91 HydrophobicContact CG-CB 4.09Å; F74-R91 HydrophobicContact CZ-CB 3.64Å; F74-R91 HydrophobicContact CZ-CG 4.22Å; F74-R91 PolarHBondContact N-O 2.94Å; F74-R91 VanDerWaalsContact N-O 3.13Å; F74-R91 PolarHBondContact O-N 2.85Å; F74-L111 HydrophobicContact CE2-CD1 3.74Å; F74-L111 HydrophobicContact CZ-CD1 4Å; F74-L219 HydrophobicContact CZ-CD1 4.29Å; F74-F222 HydrophobicContact CD1-CD2 4.2Å; F74-F222 HydrophobicContact CD2-CD2 4.45Å; F74-F222 HydrophobicContact CD2-CE2 4.21Å; F74-F222 HydrophobicContact CE1-CB 4.35Å; F74-F222 AromaticContact CE1-CD2 3.58Å; F74-F222 HydrophobicContact CE1-CD2 3.58Å; F74-F222 HydrophobicContact CE1-CE2 4.26Å; F74-F222 HydrophobicContact CE1-CG 4.31Å; F74-F222 AromaticContact CE2-CD2 3.93Å; F74-F222 HydrophobicContact CE2-CD2 3.93Å; F74-F222 AromaticContact CE2-CE2 3.89Å; F74-F222 HydrophobicContact CE2-CE2 3.89Å; F74-F222 AromaticContact CZ-CD2 3.46Å; F74-F222 HydrophobicContact CZ-CD2 3.46Å; F74-F222 VanDerWaalsContact CZ-CD2 3.46Å; F74-F222 AromaticContact CZ-CE2 3.93Å; F74-F222 HydrophobicContact CZ-CE2 3.93Å
75	V	92	Very high	80.3	Confident	37 Å²	37	48.9 Å²	48.9	22%	0.224	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.1	166.9	-175.7	0	0	0	0	107.5	E59 H77 R88	E59-V75 HydrophobicContact CB-CB 4.38Å; E59-V75 PolarHBondContact N-O 3.26Å; E59-V75 PolarHBondContact O-N 2.78Å; V75-H77 WeakPolarHBondContact CG1-NE2 3.38Å; V75-R88 HydrophobicContact CG1-CG 3.75Å
76	L	94	Very high	82.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.5	173	-177.3	76.8	0	0	0	108.8	C56 F74 I78 R88 A89 F218 F222	C56-L76 HydrophobicContact CB-CD1 4.34Å; F74-L76 HydrophobicContact CD2-CB 4.42Å; F74-L76 HydrophobicContact CE2-CB 4.38Å; L76-I78 HydrophobicContact CD2-CD1 4.01Å; L76-I78 HydrophobicContact CD2-CG1 4.06Å; L76-I78 HydrophobicContact CG-CG1 4.21Å; L76-R88 WeakPolarHBondContact O-CA 3.23Å; L76-A89 HydrophobicContact CB-CB 4.14Å; L76-A89 HydrophobicContact CD2-CB 4.41Å; L76-A89 PolarHBondContact N-O 3.16Å; L76-A89 PolarHBondContact O-N 2.76Å; L76-F218 HydrophobicContact CD1-CD1 4.19Å; L76-F218 HydrophobicContact CD1-CG 4.34Å; L76-F218 HydrophobicContact CD2-CB 3.68Å; L76-F218 HydrophobicContact CD2-CD1 4.02Å; L76-F218 HydrophobicContact CD2-CD2 3.33Å; L76-F218 HydrophobicContact CD2-CE2 3.93Å; L76-F218 HydrophobicContact CD2-CG 3.39Å; L76-F222 HydrophobicContact CD1-CE2 4.35Å; L76-F222 HydrophobicContact CD1-CZ 4.31Å
77	H	95.8	Very high	84.6	Confident	7 Å²	7	41.4 Å²	41.4	3%	0.032	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.9	175.9	-55.7	-89	0	0	0	108.9	C56 Y57 E59 V75 L79 E85	C56-H77 CarbonylContact C-O 3.47Å; C56-H77 WeakPolarHBondContact CA-O 3.34Å; Y57-H77 HydrophobicContact CD1-CB 4.28Å; Y57-H77 HydrophobicContact CD2-CB 4.17Å; Y57-H77 AromaticContact CD2-CD2 3.73Å; Y57-H77 HydrophobicContact CE1-CB 3.84Å; Y57-H77 HydrophobicContact CE2-CB 3.66Å; Y57-H77 AromaticContact CE2-CD2 3.13Å; Y57-H77 WeakPolarHBondContact CE2-CD2 3.29Å; Y57-H77 AromaticContact CE2-CG 3.46Å; Y57-H77 VanDerWaalsContact CE2-CG 3.46Å; Y57-H77 AromaticContact CE2-NE2 3.96Å; Y57-H77 HydrophobicContact CG-CB 4.43Å; Y57-H77 VanDerWaalsContact CZ-CB 3.46Å; Y57-H77 AromaticContact CZ-CD2 3.78Å; Y57-H77 AromaticContact CZ-CG 3.58Å; Y57-H77 PolarHBondContact N-O 3.4Å; Y57-H77 PolarHBondContact O-N 2.95Å; E59-H77 WeakPolarHBondContact CB-NE2 3.43Å; E59-H77 IonicContact OE2-CE1 3.5Å; E59-H77 IonicContact OE2-NE2 3.62Å; E59-H77 PolarHBondContact OE2-NE2 2.81Å; E59-H77 VanDerWaalsContact OE2-NE2 3.14Å; V75-H77 WeakPolarHBondContact CG1-NE2 3.38Å; H77-L79 HydrophobicContact CB-CD1 3.95Å; H77-E85 IonicContact CE1-OE1 3.82Å; H77-E85 IonicContact CG-OE1 3.64Å; H77-E85 IonicContact ND1-OE1 2.79Å; H77-E85 PolarHBondContact ND1-OE1 3.14Å; H77-E85 IonicContact ND1-OE2 3.77Å
78	I	97.1	Very high	86.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	116.7	177.4	-54.3	-179.5	0	0	0	108.1	Y54 C56 L76 V86 I87 L214 F218	Y54-I78 HydrophobicContact CD1-CG2 4.11Å; Y54-I78 HydrophobicContact CD2-CG2 4.28Å; Y54-I78 HydrophobicContact CG-CG2 3.79Å; C56-I78 HydrophobicContact CB-CG1 4.35Å; L76-I78 HydrophobicContact CD2-CD1 4.01Å; L76-I78 HydrophobicContact CD2-CG1 4.06Å; L76-I78 HydrophobicContact CG-CG1 4.21Å; I78-V86 WeakPolarHBondContact O-CG2 3.43Å; I78-V86 PolarHBondContact O-N 3.2Å; I78-I87 HydrophobicContact CB-CB 3.96Å; I78-I87 WeakPolarHBondContact CB-O 3.42Å; I78-I87 HydrophobicContact CD1-CB 4.1Å; I78-I87 HydrophobicContact CD1-CD1 4.36Å; I78-I87 HydrophobicContact CD1-CG2 4.06Å; I78-I87 HydrophobicContact CG1-CB 4.38Å; I78-I87 HydrophobicContact CG2-CB 4.47Å; I78-I87 HydrophobicContact CG2-CD1 4.3Å; I78-I87 PolarHBondContact N-O 3.41Å; I78-I87 PolarHBondContact O-N 3.05Å; I78-L214 HydrophobicContact CD1-CD2 4.25Å; I78-L214 HydrophobicContact CD1-CG 4.43Å; I78-F218 HydrophobicContact CD1-CE2 4.19Å
79	L	96.3	Very high	88.7	Confident	21 Å²	21	34.4 Å²	34.4	11%	0.11	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.8	-170.4	-61.1	84.7	0	0	0	109.9	Y54 R55 Y57 H77 S84	Y54-L79 CarbonylContact C-O 3.53Å; Y54-L79 WeakPolarHBondContact CA-O 3.46Å; Y54-L79 WeakPolarHBondContact CB-O 3.22Å; Y54-L79 WeakPolarHBondContact CD1-O 3.48Å; R55-L79 PolarHBondContact N-O 2.96Å; R55-L79 WeakPolarHBondContact O-CD1 3.26Å; R55-L79 PolarHBondContact O-N 2.95Å; Y57-L79 HydrophobicContact CD1-CD1 3.66Å; Y57-L79 HydrophobicContact CE1-CD1 3.28Å; Y57-L79 HydrophobicContact CE1-CD2 4.11Å; Y57-L79 HydrophobicContact CE1-CG 4.35Å; H77-L79 HydrophobicContact CB-CD1 3.95Å; L79-S84 VanDerWaalsContact CA-O 3.26Å; L79-S84 WeakPolarHBondContact CA-O 3.49Å
80	N	94.1	Very high	90.2	Very high	24 Å²	24	35.3 Å²	35.3	13%	0.128	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	176.5	168.2	68.7	20.6	0	0	0	111.6	Y54 N82 N83 S84 V86	Y54-N80 HydrophobicContact CD1-CB 4.45Å; Y54-N80 HydrophobicContact CE1-CB 4.4Å; N80-N82 PolarHBondContact O-N 3.21Å; N80-N82 VanDerWaalsContact O-N 3.11Å; N80-N82 WeakPolarHBondContact OD1-CA 3.23Å; N80-N82 WeakPolarHBondContact OD1-CB 3.19Å; N80-N82 PolarHBondContact OD1-N 3.13Å; N80-N83 PolarHBondContact O-N 3.03Å; N80-N83 PolarHBondContact OD1-N 3.5Å; N80-S84 PolarHBondContact N-O 2.77Å; N80-S84 PolarHBondContact OD1-N 3.04Å; N80-S84 PolarHBondContact OD1-O 3.44Å; N80-V86 HydrophobicContact CB-CG1 3.92Å; N80-V86 HydrophobicContact CB-CG2 4.49Å; N80-V86 WeakPolarHBondContact ND2-CG1 3.48Å
81	N	90	Very high	91.5	Very high	80 Å²	80	33.9 Å²	33.9	43%	0.428	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.9	178.9	-70.6	-28.4	0	0	0	114.2	S52 R55 N83	S52-N81 PolarHBondContact O-ND2 2.94Å; S52-N81 PolarHBondContact O-OD1 2.75Å; S52-N81 PolarHBondContact OG-OD1 3.47Å; R55-N81 PolarHBondContact NH2-O 2.62Å; N81-N83 VanDerWaalsContact C-N 3.28Å; N81-N83 PolarHBondContact O-N 2.82Å
82	N	91.2	Very high	92.3	Very high	132 Å²	132	36.1 Å²	36.1	71%	0.706	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	10.3	174.1	-60.3	-27.4	0	0	0	113.2	N80 S84	N80-N82 PolarHBondContact O-N 3.21Å; N80-N82 VanDerWaalsContact O-N 3.11Å; N80-N82 WeakPolarHBondContact OD1-CA 3.23Å; N80-N82 WeakPolarHBondContact OD1-CB 3.19Å; N80-N82 PolarHBondContact OD1-N 3.13Å; N82-S84 PolarHBondContact O-N 2.97Å
83	N	91.8	Very high	92.5	Very high	102 Å²	102	40.8 Å²	40.8	55%	0.545	22%	0.216	S	C	.	.	S	Bend	trans	60.4	19.1	-173.4	-56.6	-55.4	0	0	0	114.3	R55 N80 N81	R55-N83 PolarHBondContact NH1-OD1 3.23Å; R55-N83 PolarHBondContact NH2-OD1 3.13Å; N80-N83 PolarHBondContact O-N 3.03Å; N80-N83 PolarHBondContact OD1-N 3.5Å; N81-N83 VanDerWaalsContact C-N 3.28Å; N81-N83 PolarHBondContact O-N 2.82Å
84	S	94	Very high	92	Very high	60 Å²	60	40.7 Å²	40.7	42%	0.42	21%	0.211	S	C	.	.			trans	-84.8	130.6	171.1	-44.7	0	0	0	0	109.1	L79 N80 N82 V86	L79-S84 VanDerWaalsContact CA-O 3.26Å; L79-S84 WeakPolarHBondContact CA-O 3.49Å; N80-S84 PolarHBondContact N-O 2.77Å; N80-S84 PolarHBondContact OD1-N 3.04Å; N80-S84 PolarHBondContact OD1-O 3.44Å; N82-S84 PolarHBondContact O-N 2.97Å; S84-V86 PolarHBondContact O-N 3.44Å
85	E	95.7	Very high	91.1	Very high	53 Å²	53	42.9 Å²	42.9	25%	0.248	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	118.7	170.8	-169.2	-177.7	-171.1	0	0	109.4	H77 R88 V117	H77-E85 IonicContact CE1-OE1 3.82Å; H77-E85 IonicContact CG-OE1 3.64Å; H77-E85 IonicContact ND1-OE1 2.79Å; H77-E85 PolarHBondContact ND1-OE1 3.14Å; H77-E85 IonicContact ND1-OE2 3.77Å; E85-R88 WeakPolarHBondContact OE1-CB 3.34Å; E85-R88 IonicContact OE1-CZ 2.62Å; E85-R88 IonicContact OE1-NE 2.81Å; E85-R88 PolarHBondContact OE1-NE 2.84Å; E85-R88 IonicContact OE1-NH2 3.33Å; E85-R88 PolarHBondContact OE1-NH2 2.75Å; E85-R88 IonicContact OE2-CZ 2.91Å; E85-R88 IonicContact OE2-NE 3.68Å; E85-R88 IonicContact OE2-NH2 2.74Å; E85-R88 PolarHBondContact OE2-NH2 2.84Å; E85-V117 HydrophobicContact CB-CG2 4.09Å; E85-V117 VanDerWaalsContact CD-CG2 3.49Å; E85-V117 HydrophobicContact CG-CG2 3.59Å
86	V	97.4	Very high	89.7	Confident	6 Å²	6	44.7 Å²	44.7	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-27.8	-174.1	-65.6	0	0	0	0	112.6	Y54 I78 N80 S84 S115	Y54-V86 HydrophobicContact CD1-CG2 4.04Å; Y54-V86 HydrophobicContact CE1-CG2 3.73Å; I78-V86 WeakPolarHBondContact O-CG2 3.43Å; I78-V86 PolarHBondContact O-N 3.2Å; N80-V86 HydrophobicContact CB-CG1 3.92Å; N80-V86 HydrophobicContact CB-CG2 4.49Å; N80-V86 WeakPolarHBondContact ND2-CG1 3.48Å; S84-V86 PolarHBondContact O-N 3.44Å; V86-S115 WeakPolarHBondContact O-CB 3.16Å; V86-S115 PolarHBondContact O-OG 3.44Å
87	I	98.2	Very high	88	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.5	172.8	-54.9	157	0	0	0	107.5	L13 I78 V113 Q114 A211 L214	L13-I87 HydrophobicContact CD2-CD1 3.63Å; L13-I87 HydrophobicContact CD2-CG1 3.52Å; I78-I87 HydrophobicContact CB-CB 3.96Å; I78-I87 WeakPolarHBondContact CB-O 3.42Å; I78-I87 HydrophobicContact CD1-CB 4.1Å; I78-I87 HydrophobicContact CD1-CD1 4.36Å; I78-I87 HydrophobicContact CD1-CG2 4.06Å; I78-I87 HydrophobicContact CG1-CB 4.38Å; I78-I87 HydrophobicContact CG2-CB 4.47Å; I78-I87 HydrophobicContact CG2-CD1 4.3Å; I78-I87 PolarHBondContact N-O 3.41Å; I78-I87 PolarHBondContact O-N 3.05Å; I87-V113 HydrophobicContact CG2-CG1 3.61Å; I87-Q114 VanDerWaalsContact CA-O 3.3Å; I87-Q114 WeakPolarHBondContact CA-O 3.2Å; I87-A211 HydrophobicContact CD1-CB 3.62Å; I87-A211 HydrophobicContact CG1-CB 4.17Å; I87-L214 HydrophobicContact CD1-CD2 4.43Å
88	R	98	Very high	86.2	Confident	69 Å²	69	55.6 Å²	55.6	26%	0.26	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.6	167.7	-178.7	176.7	-67	-171.9	-1.2	108.7	V75 L76 E85 I90 Q114 V117	V75-R88 HydrophobicContact CG1-CG 3.75Å; L76-R88 WeakPolarHBondContact O-CA 3.23Å; E85-R88 WeakPolarHBondContact OE1-CB 3.34Å; E85-R88 IonicContact OE1-CZ 2.62Å; E85-R88 IonicContact OE1-NE 2.81Å; E85-R88 PolarHBondContact OE1-NE 2.84Å; E85-R88 IonicContact OE1-NH2 3.33Å; E85-R88 PolarHBondContact OE1-NH2 2.75Å; E85-R88 IonicContact OE2-CZ 2.91Å; E85-R88 IonicContact OE2-NE 3.68Å; E85-R88 IonicContact OE2-NH2 2.74Å; E85-R88 PolarHBondContact OE2-NH2 2.84Å; R88-I90 HydrophobicContact CG-CD1 4.33Å; R88-I90 HydrophobicContact CG-CG1 3.9Å; R88-Q114 HydrophobicContact CB-CB 4.39Å; R88-Q114 PolarHBondContact N-O 2.81Å; R88-Q114 VanDerWaalsContact N-O 3.08Å; R88-Q114 PolarHBondContact O-N 3.45Å; R88-V117 HydrophobicContact CB-CG2 4.16Å; R88-V117 VanDerWaalsContact CZ-CG1 3.41Å
89	A	97.7	Very high	84.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.2	172.5	0	0	0	0	0	110.1	L76 L111 E112 A215	L76-A89 HydrophobicContact CB-CB 4.14Å; L76-A89 HydrophobicContact CD2-CB 4.41Å; L76-A89 PolarHBondContact N-O 3.16Å; L76-A89 PolarHBondContact O-N 2.76Å; A89-L111 HydrophobicContact CB-CD1 3.82Å; A89-L111 HydrophobicContact CB-CD2 3.8Å; A89-L111 HydrophobicContact CB-CG 3.86Å; A89-E112 CarbonylContact C-O 3.52Å; A89-E112 WeakPolarHBondContact CA-O 3.12Å; A89-A215 HydrophobicContact CB-CB 4.12Å
90	I	95.2	Very high	82.4	Confident	48 Å²	48	60.7 Å²	60.7	25%	0.246	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.1	-171.7	-54.3	176.6	0	0	0	108.3	R88 E112	R88-I90 HydrophobicContact CG-CD1 4.33Å; R88-I90 HydrophobicContact CG-CG1 3.9Å; I90-E112 PolarHBondContact N-O 3.43Å; I90-E112 PolarHBondContact O-N 2.74Å
91	R	90.5	Very high	80.6	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.8	173.1	-170.5	-174.6	168.1	-86.8	-12.9	109.1	S71 R72 P73 F74 E109 L111	S71-R91 VanDerWaalsContact C-NH1 3.29Å; S71-R91 PolarHBondContact O-NH1 3.07Å; R72-R91 PolarHBondContact O-NH1 3.34Å; P73-R91 VanDerWaalsContact CA-O 3.23Å; P73-R91 WeakPolarHBondContact CA-O 3.23Å; P73-R91 WeakPolarHBondContact CB-O 3.4Å; F74-R91 HydrophobicContact CD1-CB 3.93Å; F74-R91 HydrophobicContact CD1-CG 4.42Å; F74-R91 HydrophobicContact CD2-CB 4.06Å; F74-R91 HydrophobicContact CE1-CB 3.74Å; F74-R91 HydrophobicContact CE1-CG 4.03Å; F74-R91 HydrophobicContact CE2-CB 3.82Å; F74-R91 HydrophobicContact CG-CB 4.09Å; F74-R91 HydrophobicContact CZ-CB 3.64Å; F74-R91 HydrophobicContact CZ-CG 4.22Å; F74-R91 PolarHBondContact N-O 2.94Å; F74-R91 VanDerWaalsContact N-O 3.13Å; F74-R91 PolarHBondContact O-N 2.85Å; R91-E109 IonicContact CZ-OE2 3.86Å; R91-E109 IonicContact NE-OE2 3.31Å; R91-E109 PolarHBondContact NE-OE2 3.19Å; R91-E109 VanDerWaalsContact NH2-CD 3.28Å; R91-E109 IonicContact NH2-OE1 2.77Å; R91-E109 PolarHBondContact NH2-OE1 3.14Å; R91-E109 IonicContact NH2-OE2 3.83Å; R91-E109 PolarHBondContact NH2-OE2 2.64Å; R91-L111 HydrophobicContact CB-CD1 3.74Å
92	P	85.4	Confident	79.4	Confident	57 Å²	57	58.3 Å²	58.3	37%	0.37	32%	0.317	S	S	.	.			trans	-69.3	167.3	171.8	30.6	-34.6	0	0	0	111	R94	P92-R94 PolarHBondContact O-N 3.18Å
93	F	77.9	Confident	78.3	Confident	108 Å²	108	55.5 Å²	55.5	47%	0.474	31%	0.307	S	S	.	.			trans	-58.7	133.8	170.2	178	-92.2	0	0	0	110	C68	C68-F93 HydrophobicContact CB-CE2 4.29Å
94	R	73.8	Confident	77.3	Confident	39 Å²	39	55.6 Å²	55.6	15%	0.147	31%	0.307	C	S	.	.			trans	-134.4	140.5	172.4	-60.2	-74	173.5	122.2	-8	109.3	S71 P92 D96 Q108 E110	S71-R94 WeakPolarHBondContact CB-O 3.47Å; S71-R94 PolarHBondContact OG-O 3.16Å; S71-R94 VanDerWaalsContact OG-O 3.06Å; P92-R94 PolarHBondContact O-N 3.18Å; R94-D96 PolarHBondContact O-N 3.25Å; R94-Q108 WeakPolarHBondContact CD-O 3.23Å; R94-Q108 PolarHBondContact NH1-O 2.98Å; R94-E110 IonicContact CZ-OE1 3.19Å; R94-E110 VanDerWaalsContact NH2-CB 3.3Å; R94-E110 IonicContact NH2-OE1 2.69Å; R94-E110 PolarHBondContact NH2-OE1 2.92Å
95	C	67.3	Low	76.1	Confident	56 Å²	56	59.4 Å²	59.4	38%	0.378	32%	0.318	S	S	.	.			trans	-66.5	131.5	179.4	-67.4	0	0	0	0	110.4	C97 C106	C95-C97 WeakPolarHBondContact CB-SG 3.29Å; C95-C97 PolarHBondContact O-N 3.32Å; C95-C97 VanDerWaalsContact O-N 3.11Å; C95-C106 PolarHBondContact N-O 2.72Å
96	D	61.6	Low	74.9	Confident	74 Å²	74	60.2 Å²	60.2	40%	0.396	33%	0.329	S	S	.	.			trans	-86.6	66.2	168.9	-173.9	16.4	0	0	0	108.9	S71 R94 Y98	S71-D96 WeakPolarHBondContact OG-CB 3.47Å; S71-D96 PolarHBondContact OG-N 3.42Å; S71-D96 VanDerWaalsContact OG-N 3.12Å; R94-D96 PolarHBondContact O-N 3.25Å; D96-Y98 PolarHBondContact O-N 3Å
97	C	59.5	Low	73.7	Confident	49 Å²	49	60.3 Å²	60.3	33%	0.331	33%	0.33	S	S	.	.	S	Bend	trans	-60.7	-36.4	-174.6	-44.1	0	0	0	0	110.9	C95 C107	C95-C97 WeakPolarHBondContact CB-SG 3.29Å; C95-C97 PolarHBondContact O-N 3.32Å; C95-C97 VanDerWaalsContact O-N 3.11Å; C97-C107 HydrophobicContact CB-CB 3.88Å; C97-C107 WeakPolarHBondContact CB-SG 3.21Å; C97-C107 WeakPolarHBondContact SG-CB 3.48Å; C97-C107 CovalentContact SG-SG 2.05Å; C97-C107 PolarHBondContact SG-SG 2.83Å
98	Y	56.7	Low	72.7	Confident	187 Å²	187	62 Å²	62	73%	0.733	34%	0.338	S	S	*	.			trans	-171.9	142.2	163.7	-78.7	-75.5	0	0	0	106.9	D96 C100 C101	D96-Y98 PolarHBondContact O-N 3Å; Y98-C100 PolarHBondContact O-N 2.63Å; Y98-C101 PolarHBondContact O-N 3.37Å
99	A	57.4	Low	72	Confident	85 Å²	85	59.5 Å²	59.5	70%	0.702	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-25.4	-179.8	0	0	0	0	0	114.7
100	C	56.2	Low	71.7	Confident	43 Å²	43	61.3 Å²	61.3	29%	0.291	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-10.7	-179.7	-171.9	0	0	0	0	113.8	Y98 C153	Y98-C100 PolarHBondContact O-N 2.63Å; C100-C153 PolarHBondContact SG-SG 2.88Å
101	C	57.6	Low	71.7	Confident	44 Å²	44	59 Å²	59	30%	0.297	33%	0.326	S	S	.	.			trans	-119.1	77.7	-163.5	-135.6	0	0	0	0	112.3	Y98 C103	Y98-C101 PolarHBondContact O-N 3.37Å; C101-C103 PolarHBondContact O-N 3.45Å; C101-C103 PolarHBondContact SG-SG 2.93Å
102	S	64.4	Low	72.1	Confident	10 Å²	10	61.6 Å²	61.6	7%	0.07	34%	0.338	C	S	.	.			trans	-82.8	27.6	164.7	-59.7	0	0	0	0	112.4	L104 C107 Q108	S102-L104 PolarHBondContact O-N 2.87Å; S102-C107 PolarHBondContact OG-O 3.32Å; S102-Q108 WeakPolarHBondContact O-CG 3.18Å; S102-Q108 PolarHBondContact O-NE2 3.13Å
103	C	68.2	Low	72.7	Confident	73 Å²	73	58.9 Å²	58.9	49%	0.493	32%	0.32	S	S	.	.			trans	-69.9	-18.9	-178	66.2	0	0	0	0	113	C101 F128	C101-C103 PolarHBondContact O-N 3.45Å; C101-C103 PolarHBondContact SG-SG 2.93Å; C103-F128 HydrophobicContact CB-CD2 4.22Å; C103-F128 HydrophobicContact CB-CE2 4.3Å
104	L	70.1	Confident	73.7	Confident	105 Å²	105	54.7 Å²	54.7	55%	0.55	30%	0.302	S	S	.	.	S	Bend	trans	-110.4	143	173.2	-60.6	175.6	0	0	0	109.9	S102 C106 C107 Q108	S102-L104 PolarHBondContact O-N 2.87Å; L104-C106 VanDerWaalsContact C-N 3.25Å; L104-C106 PolarHBondContact O-N 3.37Å; L104-C107 CarbonylContact O-C 3.5Å; L104-C107 PolarHBondContact O-N 2.84Å; L104-Q108 PolarHBondContact O-N 2.96Å
105	E	69.8	Low	74.8	Confident	140 Å²	140	52.8 Å²	52.8	65%	0.654	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58.4	-35.7	-179.1	-174.3	168.2	-159.1	0	0	112.8	C107 Q108	E105-C107 PolarHBondContact O-N 3.42Å; E105-Q108 PolarHBondContact O-N 3.33Å; E105-Q108 VanDerWaalsContact O-N 3.11Å
106	C	70.2	Confident	76.2	Confident	70 Å²	70	53 Å²	53	47%	0.473	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-65.9	-17.2	176.6	63.3	0	0	0	0	114.2	C95 L104	C95-C106 PolarHBondContact N-O 2.72Å; L104-C106 VanDerWaalsContact C-N 3.25Å; L104-C106 PolarHBondContact O-N 3.37Å
107	C	71.6	Confident	77.8	Confident	7 Å²	7	52 Å²	52	5%	0.047	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-106.4	1.6	178.5	-35.3	0	0	0	0	111.7	C97 S102 L104 E105	C97-C107 HydrophobicContact CB-CB 3.88Å; C97-C107 WeakPolarHBondContact CB-SG 3.21Å; C97-C107 WeakPolarHBondContact SG-CB 3.48Å; C97-C107 CovalentContact SG-SG 2.05Å; C97-C107 PolarHBondContact SG-SG 2.83Å; S102-C107 PolarHBondContact OG-O 3.32Å; L104-C107 CarbonylContact O-C 3.5Å; L104-C107 PolarHBondContact O-N 2.84Å; E105-C107 PolarHBondContact O-N 3.42Å
108	Q	78.3	Confident	79.5	Confident	36 Å²	36	52.7 Å²	52.7	17%	0.168	31%	0.307	C	S	.	.	S	Bend	trans	-79.4	126	171.8	-74.7	177.4	3.2	0	0	109	R94 S102 L104 E105	R94-Q108 WeakPolarHBondContact CD-O 3.23Å; R94-Q108 PolarHBondContact NH1-O 2.98Å; S102-Q108 WeakPolarHBondContact O-CG 3.18Å; S102-Q108 PolarHBondContact O-NE2 3.13Å; L104-Q108 PolarHBondContact O-N 2.96Å; E105-Q108 PolarHBondContact O-N 3.33Å; E105-Q108 VanDerWaalsContact O-N 3.11Å
109	E	82.8	Confident	81.5	Confident	17 Å²	17	47.5 Å²	47.5	8%	0.079	29%	0.292	C	S	.	.			trans	-69.3	139.3	173.4	-63.6	-61.1	154.9	0	0	110.8	R91 K125 R126 L219 K223	R91-E109 IonicContact CZ-OE2 3.86Å; R91-E109 IonicContact NE-OE2 3.31Å; R91-E109 PolarHBondContact NE-OE2 3.19Å; R91-E109 VanDerWaalsContact NH2-CD 3.28Å; R91-E109 IonicContact NH2-OE1 2.77Å; R91-E109 PolarHBondContact NH2-OE1 3.14Å; R91-E109 IonicContact NH2-OE2 3.83Å; R91-E109 PolarHBondContact NH2-OE2 2.64Å; E109-K125 CarbonylContact O-C 3.54Å; E109-K125 WeakPolarHBondContact O-CA 3.23Å; E109-R126 HydrophobicContact CB-CB 3.77Å; E109-R126 HydrophobicContact CG-CB 4.48Å; E109-R126 PolarHBondContact O-N 3.15Å; E109-L219 HydrophobicContact CB-CD2 4.5Å; E109-K223 VanDerWaalsContact CD-NZ 3.28Å; E109-K223 WeakPolarHBondContact OE1-CE 3.36Å; E109-K223 IonicContact OE1-NZ 3.56Å; E109-K223 PolarHBondContact OE1-NZ 3.39Å; E109-K223 WeakPolarHBondContact OE2-CE 3.36Å; E109-K223 IonicContact OE2-NZ 2.92Å
110	E	91.1	Very high	83.4	Confident	38 Å²	38	45.1 Å²	45.1	18%	0.178	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.9	175.8	-163.9	173.1	73.8	0	0	109.6	R94 Y123 V124 K125	R94-E110 IonicContact CZ-OE1 3.19Å; R94-E110 VanDerWaalsContact NH2-CB 3.3Å; R94-E110 IonicContact NH2-OE1 2.69Å; R94-E110 PolarHBondContact NH2-OE1 2.92Å; E110-Y123 HydrophobicContact CG-CD1 4.42Å; E110-V124 CarbonylContact C-O 3.58Å; E110-V124 VanDerWaalsContact CA-O 3.26Å; E110-V124 WeakPolarHBondContact CA-O 3.25Å; E110-K125 HydrophobicContact CG-CB 4.47Å; E110-K125 HydrophobicContact CG-CG 4.49Å; E110-K125 WeakPolarHBondContact OE2-CD 3.48Å; E110-K125 WeakPolarHBondContact OE2-CE 3.25Å; E110-K125 IonicContact OE2-NZ 2.81Å; E110-K125 PolarHBondContact OE2-NZ 2.8Å
111	L	95.4	Very high	85.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.4	177.4	-176.8	75.1	0	0	0	108	F74 A89 R91 Y123 V124 A215 L219	F74-L111 HydrophobicContact CE2-CD1 3.74Å; F74-L111 HydrophobicContact CZ-CD1 4Å; A89-L111 HydrophobicContact CB-CD1 3.82Å; A89-L111 HydrophobicContact CB-CD2 3.8Å; A89-L111 HydrophobicContact CB-CG 3.86Å; R91-L111 HydrophobicContact CB-CD1 3.74Å; L111-Y123 CarbonylContact O-C 3.49Å; L111-Y123 VanDerWaalsContact O-CA 3.24Å; L111-Y123 WeakPolarHBondContact O-CA 3.39Å; L111-V124 HydrophobicContact CB-CB 4.17Å; L111-V124 HydrophobicContact CD2-CG2 4.35Å; L111-V124 PolarHBondContact N-O 3.45Å; L111-V124 PolarHBondContact O-N 2.89Å; L111-A215 HydrophobicContact CD2-CB 3.78Å; L111-A215 WeakPolarHBondContact CD2-O 3.26Å; L111-L219 HydrophobicContact CB-CD2 4.12Å; L111-L219 HydrophobicContact CD2-CB 4.21Å
112	E	97.8	Very high	87.3	Confident	55 Å²	55	41.2 Å²	41.2	26%	0.257	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	136.9	170.5	-177.6	-173.7	148.8	0	0	109.3	A89 I90 Q114 C120 Y123	A89-E112 CarbonylContact C-O 3.52Å; A89-E112 WeakPolarHBondContact CA-O 3.12Å; I90-E112 PolarHBondContact N-O 3.43Å; I90-E112 PolarHBondContact O-N 2.74Å; E112-Q114 HydrophobicContact CG-CG 4.39Å; E112-Q114 WeakPolarHBondContact OE1-CG 3.26Å; E112-Q114 PolarHBondContact OE1-NE2 3.08Å; E112-C120 HydrophobicContact CG-CB 4.39Å; E112-Y123 HydrophobicContact CB-CD1 3.96Å; E112-Y123 HydrophobicContact CB-CE1 3.8Å; E112-Y123 HydrophobicContact CG-CD1 4.2Å; E112-Y123 HydrophobicContact CG-CE1 3.67Å
113	V	98.6	Very high	89	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127	179	-172.1	0	0	0	0	109.7	I87 I121 G122 V212 A215	I87-V113 HydrophobicContact CG2-CG1 3.61Å; V113-I121 HydrophobicContact CB-CG1 4.33Å; V113-I121 HydrophobicContact CG1-CD1 4.07Å; V113-I121 HydrophobicContact CG1-CG1 4.08Å; V113-I121 VanDerWaalsContact O-CG1 3.23Å; V113-I121 WeakPolarHBondContact O-CG1 3.44Å; V113-I121 PolarHBondContact O-N 2.78Å; V113-G122 PolarHBondContact N-O 3.37Å; V113-G122 PolarHBondContact O-N 2.95Å; V113-V212 HydrophobicContact CB-CG2 4Å; V113-V212 HydrophobicContact CG1-CG2 4.18Å; V113-V212 HydrophobicContact CG2-CB 4.44Å; V113-V212 HydrophobicContact CG2-CG1 4.12Å; V113-V212 HydrophobicContact CG2-CG2 4.22Å; V113-A215 HydrophobicContact CG1-CB 4.22Å; V113-A215 HydrophobicContact CG2-CB 3.57Å
114	Q	98.5	Very high	90.4	Very high	20 Å²	20	39.1 Å²	39.1	9%	0.093	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137	-176.5	-58.7	-179.5	-12.3	0	0	111.7	I87 R88 E112 N119	I87-Q114 VanDerWaalsContact CA-O 3.3Å; I87-Q114 WeakPolarHBondContact CA-O 3.2Å; R88-Q114 HydrophobicContact CB-CB 4.39Å; R88-Q114 PolarHBondContact N-O 2.81Å; R88-Q114 VanDerWaalsContact N-O 3.08Å; R88-Q114 PolarHBondContact O-N 3.45Å; E112-Q114 HydrophobicContact CG-CG 4.39Å; E112-Q114 WeakPolarHBondContact OE1-CG 3.26Å; E112-Q114 PolarHBondContact OE1-NE2 3.08Å; Q114-N119 CarbonylContact C-O 3.56Å; Q114-N119 WeakPolarHBondContact CA-O 3.25Å
115	S	97.9	Very high	91.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-159.7	126.9	167.7	-168.7	0	0	0	0	112.4	V86 N119 I121	V86-S115 WeakPolarHBondContact O-CB 3.16Å; V86-S115 PolarHBondContact O-OG 3.44Å; S115-N119 PolarHBondContact N-O 3.19Å; S115-N119 PolarHBondContact O-ND2 2.69Å; S115-I121 WeakPolarHBondContact O-CG2 3.46Å
116	P	95.8	Very high	92.5	Very high	60 Å²	60	29.7 Å²	29.7	39%	0.39	18%	0.176	S	C	.	.	S	Bend	cis	-56.2	168.3	-15.9	29.7	-36.5	0	0	0	110.7	G118 N119	P116-G118 PolarHBondContact O-N 2.93Å; P116-N119 WeakPolarHBondContact O-CB 3.23Å; P116-N119 PolarHBondContact O-N 3.46Å
117	V	96.2	Very high	93.5	Very high	53 Å²	53	27.8 Å²	27.8	32%	0.321	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	130.9	178.7	176.5	0	0	0	0	110.8	E85 R88	E85-V117 HydrophobicContact CB-CG2 4.09Å; E85-V117 VanDerWaalsContact CD-CG2 3.49Å; E85-V117 HydrophobicContact CG-CG2 3.59Å; R88-V117 HydrophobicContact CB-CG2 4.16Å; R88-V117 VanDerWaalsContact CZ-CG1 3.41Å
118	G	95.8	Very high	94.2	Very high	63 Å²	63	33.1 Å²	33.1	65%	0.649	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.4	-9.8	-174.9	0	0	0	0	0	115.4	P116	P116-G118 PolarHBondContact O-N 2.93Å
119	N	97.2	Very high	94.6	Very high	79 Å²	79	33.4 Å²	33.4	42%	0.422	19%	0.19	S	C	.	.	S	Bend	trans	-111.9	106.3	174.6	177.6	55.6	0	0	0	110.8	Q114 S115 P116 I121	Q114-N119 CarbonylContact C-O 3.56Å; Q114-N119 WeakPolarHBondContact CA-O 3.25Å; S115-N119 PolarHBondContact N-O 3.19Å; S115-N119 PolarHBondContact O-ND2 2.69Å; P116-N119 WeakPolarHBondContact O-CB 3.23Å; P116-N119 PolarHBondContact O-N 3.46Å; N119-I121 PolarHBondContact O-N 3.47Å
120	C	97.9	Very high	94.7	Very high	35 Å²	35	34.3 Å²	34.3	24%	0.236	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	127.1	177.9	-179.6	0	0	0	0	111.3	E112 Y123	E112-C120 HydrophobicContact CG-CB 4.39Å; C120-Y123 VanDerWaalsContact SG-CE2 3.5Å; C120-Y123 PolarHBondContact SG-OH 2.79Å; C120-Y123 VanDerWaalsContact SG-OH 3.33Å
121	I	97.9	Very high	94.4	Very high	5 Å²	5	35 Å²	35	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-15.1	178.1	57.8	160.8	0	0	0	113.1	V113 S115 N119 G140 K208 A211 V212	V113-I121 HydrophobicContact CB-CG1 4.33Å; V113-I121 HydrophobicContact CG1-CD1 4.07Å; V113-I121 HydrophobicContact CG1-CG1 4.08Å; V113-I121 VanDerWaalsContact O-CG1 3.23Å; V113-I121 WeakPolarHBondContact O-CG1 3.44Å; V113-I121 PolarHBondContact O-N 2.78Å; S115-I121 WeakPolarHBondContact O-CG2 3.46Å; N119-I121 PolarHBondContact O-N 3.47Å; I121-G140 PolarHBondContact O-N 2.8Å; I121-K208 HydrophobicContact CB-CB 4.23Å; I121-K208 HydrophobicContact CB-CD 4.14Å; I121-K208 HydrophobicContact CB-CG 4.16Å; I121-K208 HydrophobicContact CD1-CB 4.13Å; I121-K208 HydrophobicContact CD1-CG 4.39Å; I121-K208 HydrophobicContact CG2-CD 4.09Å; I121-K208 HydrophobicContact CG2-CG 4.19Å; I121-A211 HydrophobicContact CD1-CB 3.87Å; I121-V212 HydrophobicContact CD1-CG2 4.33Å; I121-V212 HydrophobicContact CG1-CG2 4.37Å
122	G	98.5	Very high	94	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-176	179.8	0	0	0	0	0	113.7	V113 L138	V113-G122 PolarHBondContact N-O 3.37Å; V113-G122 PolarHBondContact O-N 2.95Å; G122-L138 CarbonylContact C-O 3.55Å; G122-L138 WeakPolarHBondContact CA-O 3.26Å
123	Y	98.5	Very high	93.6	Very high	37 Å²	37	36.1 Å²	36.1	15%	0.145	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	149.9	-176.6	-55.8	-98.9	0	0	0	111.2	E110 L111 E112 C120 L138 Q142	E110-Y123 HydrophobicContact CG-CD1 4.42Å; L111-Y123 CarbonylContact O-C 3.49Å; L111-Y123 VanDerWaalsContact O-CA 3.24Å; L111-Y123 WeakPolarHBondContact O-CA 3.39Å; E112-Y123 HydrophobicContact CB-CD1 3.96Å; E112-Y123 HydrophobicContact CB-CE1 3.8Å; E112-Y123 HydrophobicContact CG-CD1 4.2Å; E112-Y123 HydrophobicContact CG-CE1 3.67Å; C120-Y123 VanDerWaalsContact SG-CE2 3.5Å; C120-Y123 PolarHBondContact SG-OH 2.79Å; C120-Y123 VanDerWaalsContact SG-OH 3.33Å; Y123-L138 HydrophobicContact CD2-CB 4.38Å; Y123-L138 PolarHBondContact N-O 3.37Å; Y123-L138 PolarHBondContact O-N 2.78Å; Y123-Q142 HydrophobicContact CD2-CG 4.23Å; Y123-Q142 HydrophobicContact CE2-CG 3.89Å
124	V	97.9	Very high	93.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.4	163.2	-171.8	0	0	0	0	106.9	E110 L111 Y135 I137 V212 A216 L219	E110-V124 CarbonylContact C-O 3.58Å; E110-V124 VanDerWaalsContact CA-O 3.26Å; E110-V124 WeakPolarHBondContact CA-O 3.25Å; L111-V124 HydrophobicContact CB-CB 4.17Å; L111-V124 HydrophobicContact CD2-CG2 4.35Å; L111-V124 PolarHBondContact N-O 3.45Å; L111-V124 PolarHBondContact O-N 2.89Å; V124-Y135 HydrophobicContact CG1-CD1 4.01Å; V124-Y135 HydrophobicContact CG1-CG 4.42Å; V124-I137 HydrophobicContact CB-CD1 4.36Å; V124-I137 HydrophobicContact CG1-CD1 4Å; V124-I137 HydrophobicContact CG2-CD1 4.06Å; V124-V212 HydrophobicContact CG2-CG1 3.7Å; V124-A216 HydrophobicContact CB-CB 4.39Å; V124-A216 HydrophobicContact CG1-CB 3.74Å; V124-A216 HydrophobicContact CG2-CB 3.73Å; V124-L219 HydrophobicContact CB-CD2 4.11Å; V124-L219 HydrophobicContact CG1-CD2 3.78Å
125	K	94.8	Very high	93.3	Very high	39 Å²	39	36 Å²	36	17%	0.17	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.2	-177.2	-173.4	169.8	-173.2	151	0	111.2	E109 E110 Y135 H136 L138	E109-K125 CarbonylContact O-C 3.54Å; E109-K125 WeakPolarHBondContact O-CA 3.23Å; E110-K125 HydrophobicContact CG-CB 4.47Å; E110-K125 HydrophobicContact CG-CG 4.49Å; E110-K125 WeakPolarHBondContact OE2-CD 3.48Å; E110-K125 WeakPolarHBondContact OE2-CE 3.25Å; E110-K125 IonicContact OE2-NZ 2.81Å; E110-K125 PolarHBondContact OE2-NZ 2.8Å; K125-Y135 CarbonylContact O-C 3.49Å; K125-Y135 WeakPolarHBondContact O-CA 3.45Å; K125-H136 PolarHBondContact N-O 2.85Å; K125-H136 PolarHBondContact O-N 2.95Å; K125-L138 HydrophobicContact CB-CD1 4.36Å; K125-L138 HydrophobicContact CD-CD1 4.41Å
126	R	90.9	Very high	93.3	Very high	9 Å²	9	38.3 Å²	38.3	3%	0.034	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.6	172.7	-177.4	80.2	174.3	88.9	6.7	109.7	E109 N132 D134 Y135	E109-R126 HydrophobicContact CB-CB 3.77Å; E109-R126 HydrophobicContact CG-CB 4.48Å; E109-R126 PolarHBondContact O-N 3.15Å; R126-N132 PolarHBondContact NH1-O 3.46Å; R126-N132 PolarHBondContact NH2-O 3.2Å; R126-D134 WeakPolarHBondContact CD-O 3.3Å; R126-D134 PolarHBondContact NH1-O 3.04Å; R126-Y135 HydrophobicContact CB-CD1 3.91Å; R126-Y135 HydrophobicContact CB-CE1 3.89Å; R126-Y135 VanDerWaalsContact CD-CE1 3.48Å; R126-Y135 VanDerWaalsContact CD-CZ 3.49Å; R126-Y135 HydrophobicContact CG-CE1 4.31Å
127	V	90.3	Very high	93.4	Very high	30 Å²	30	35.5 Å²	35.5	18%	0.182	21%	0.213	C	C	.	.			trans	-113.6	148	175.4	-64.7	0	0	0	0	110.8	S129 D134 H136	V127-S129 PolarHBondContact O-N 3.21Å; V127-D134 HydrophobicContact CG2-CB 3.85Å; V127-D134 PolarHBondContact N-O 3.16Å; V127-H136 HydrophobicContact CG1-CB 4.2Å
128	F	86.6	Confident	93.5	Very high	118 Å²	118	33.6 Å²	33.6	52%	0.518	20%	0.2	S	C	.	.			trans	-71.9	120.7	173.7	178.4	-103.4	0	0	0	110	C103	C103-F128 HydrophobicContact CB-CD2 4.22Å; C103-F128 HydrophobicContact CB-CE2 4.3Å
129	S	86.7	Confident	93.6	Very high	42 Å²	42	31.6 Å²	31.6	29%	0.294	18%	0.175	S	C	.	.			trans	-141.8	53	-179.8	-170.8	0	0	0	0	109.9	V127 C131 N132 D134	V127-S129 PolarHBondContact O-N 3.21Å; S129-C131 PolarHBondContact O-N 2.85Å; S129-N132 WeakPolarHBondContact O-CB 3.37Å; S129-N132 PolarHBondContact O-N 3.25Å; S129-D134 WeakPolarHBondContact CB-OD2 3.33Å; S129-D134 PolarHBondContact OG-OD2 3.47Å
130	G	84.8	Confident	93.6	Very high	36 Å²	36	29.5 Å²	29.5	37%	0.371	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-122.5	-170.1	0	0	0	0	0	111
131	C	84	Confident	93.5	Very high	53 Å²	53	33.4 Å²	33.4	36%	0.358	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.8	175.9	-61.6	0	0	0	0	113.5	S129 S152 C153	S129-C131 PolarHBondContact O-N 2.85Å; C131-S152 WeakPolarHBondContact CB-OG 3.27Å; C131-S152 CarbonylContact O-C 3.43Å; C131-S152 WeakPolarHBondContact O-CA 3.33Å; C131-C153 PolarHBondContact O-N 3.14Å; C131-C153 PolarHBondContact O-SG 3.36Å; C131-C153 VanDerWaalsContact O-SG 3.39Å
132	N	88.7	Confident	93.5	Very high	67 Å²	67	39.1 Å²	39.1	36%	0.358	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-76.9	139.3	-173.1	-63.2	-26.4	0	0	0	112.2	R126 S129 D134	R126-N132 PolarHBondContact NH1-O 3.46Å; R126-N132 PolarHBondContact NH2-O 3.2Å; S129-N132 WeakPolarHBondContact O-CB 3.37Å; S129-N132 PolarHBondContact O-N 3.25Å; N132-D134 VanDerWaalsContact C-N 3.25Å; N132-D134 PolarHBondContact O-N 2.95Å
133	L	89.1	Confident	93.5	Very high	11 Å²	11	46.5 Å²	46.5	6%	0.058	25%	0.245	C	C	.	.			trans	-79.7	62.2	178.4	-64.6	177.2	0	0	0	112.8	Y135 G150 P151 C153 F165 Y224	L133-Y135 HydrophobicContact CB-CE2 4.48Å; L133-Y135 WeakPolarHBondContact O-CD2 3.4Å; L133-Y135 WeakPolarHBondContact O-CE2 3.42Å; L133-G150 WeakPolarHBondContact O-CA 3.33Å; L133-G150 PolarHBondContact O-N 2.98Å; L133-P151 WeakPolarHBondContact CB-O 3.49Å; L133-P151 HydrophobicContact CD1-CG 4.41Å; L133-P151 WeakPolarHBondContact CG-O 3.03Å; L133-P151 PolarHBondContact N-O 2.88Å; L133-C153 HydrophobicContact CD2-CB 3.78Å; L133-C153 HydrophobicContact CG-CB 4.1Å; L133-F165 HydrophobicContact CB-CE1 3.79Å; L133-F165 HydrophobicContact CD1-CE1 4.31Å; L133-F165 HydrophobicContact CD1-CZ 4.22Å; L133-Y224 HydrophobicContact CD1-CD1 3.82Å; L133-Y224 HydrophobicContact CD1-CD2 3.84Å; L133-Y224 HydrophobicContact CD1-CE1 3.98Å; L133-Y224 HydrophobicContact CD1-CE2 3.97Å; L133-Y224 HydrophobicContact CD1-CG 3.82Å
134	D	93.8	Very high	93.5	Very high	13 Å²	13	47.2 Å²	47.2	7%	0.07	25%	0.253	C	S	.	.			trans	-93.5	143.2	-179	-58.7	-8.6	0	0	0	114.5	R126 V127 S129 N132 I148 H149 G150	R126-D134 WeakPolarHBondContact CD-O 3.3Å; R126-D134 PolarHBondContact NH1-O 3.04Å; V127-D134 HydrophobicContact CG2-CB 3.85Å; V127-D134 PolarHBondContact N-O 3.16Å; S129-D134 WeakPolarHBondContact CB-OD2 3.33Å; S129-D134 PolarHBondContact OG-OD2 3.47Å; N132-D134 VanDerWaalsContact C-N 3.25Å; N132-D134 PolarHBondContact O-N 2.95Å; D134-I148 CarbonylContact C-O 3.58Å; D134-I148 WeakPolarHBondContact CA-O 3.49Å; D134-H149 VanDerWaalsContact OD1-CA 3.3Å; D134-H149 WeakPolarHBondContact OD1-CA 3.46Å; D134-G150 PolarHBondContact OD1-N 3.04Å
135	Y	95.9	Very high	93.5	Very high	6 Å²	6	49.5 Å²	49.5	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.1	179.6	-55.8	-105.5	0	0	0	110.7	V124 K125 R126 L133 Q147 I148 L219 I220	V124-Y135 HydrophobicContact CG1-CD1 4.01Å; V124-Y135 HydrophobicContact CG1-CG 4.42Å; K125-Y135 CarbonylContact O-C 3.49Å; K125-Y135 WeakPolarHBondContact O-CA 3.45Å; R126-Y135 HydrophobicContact CB-CD1 3.91Å; R126-Y135 HydrophobicContact CB-CE1 3.89Å; R126-Y135 VanDerWaalsContact CD-CE1 3.48Å; R126-Y135 VanDerWaalsContact CD-CZ 3.49Å; R126-Y135 HydrophobicContact CG-CE1 4.31Å; L133-Y135 HydrophobicContact CB-CE2 4.48Å; L133-Y135 WeakPolarHBondContact O-CD2 3.4Å; L133-Y135 WeakPolarHBondContact O-CE2 3.42Å; Y135-Q147 CarbonylContact O-C 3.44Å; Y135-Q147 WeakPolarHBondContact O-CA 3.43Å; Y135-I148 HydrophobicContact CD2-CB 4.49Å; Y135-I148 HydrophobicContact CD2-CG2 4.4Å; Y135-I148 PolarHBondContact N-O 2.9Å; Y135-I148 PolarHBondContact O-N 3.2Å; Y135-L219 HydrophobicContact CD1-CD2 4.27Å; Y135-L219 HydrophobicContact CE1-CD2 3.93Å; Y135-L219 HydrophobicContact CE1-CG 4.48Å; Y135-I220 HydrophobicContact CE2-CG1 4.06Å
136	H	97.7	Very high	93.7	Very high	48 Å²	48	47.9 Å²	47.9	22%	0.222	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.1	165.1	-74.1	-166.3	0	0	0	110	K125 V127 L138 T144	K125-H136 PolarHBondContact N-O 2.85Å; K125-H136 PolarHBondContact O-N 2.95Å; V127-H136 HydrophobicContact CG1-CB 4.2Å; H136-L138 HydrophobicContact CB-CD2 3.97Å; H136-T144 HydrophobicContact CB-CG2 4.17Å; H136-T144 PolarHBondContact ND1-OG1 2.92Å
137	I	98.6	Very high	94	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.6	169.9	-58	-52.8	0	0	0	107.7	V124 V145 L146 I148 M209 V212 L213 A216	V124-I137 HydrophobicContact CB-CD1 4.36Å; V124-I137 HydrophobicContact CG1-CD1 4Å; V124-I137 HydrophobicContact CG2-CD1 4.06Å; I137-V145 PolarHBondContact O-N 2.93Å; I137-L146 HydrophobicContact CB-CB 3.87Å; I137-L146 HydrophobicContact CG1-CB 4.1Å; I137-L146 HydrophobicContact CG2-CB 4.46Å; I137-L146 HydrophobicContact CG2-CD1 4.4Å; I137-L146 PolarHBondContact N-O 3.31Å; I137-L146 PolarHBondContact O-N 3.2Å; I137-I148 HydrophobicContact CD1-CD1 3.65Å; I137-I148 HydrophobicContact CD1-CG1 4.22Å; I137-I148 HydrophobicContact CG1-CD1 4.04Å; I137-I148 HydrophobicContact CG1-CG1 4.09Å; I137-M209 HydrophobicContact CG2-SD 3.95Å; I137-V212 HydrophobicContact CD1-CG1 4.28Å; I137-V212 HydrophobicContact CG2-CB 4.16Å; I137-V212 HydrophobicContact CG2-CG1 3.71Å; I137-L213 HydrophobicContact CD1-CD2 4.26Å; I137-L213 HydrophobicContact CG1-CD2 3.9Å; I137-A216 HydrophobicContact CD1-CB 4.22Å
138	L	98.5	Very high	94.4	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.068	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.1	-176.3	-47.8	-179.6	0	0	0	110.8	G122 Y123 K125 H136 Q142 R143 T144	G122-L138 CarbonylContact C-O 3.55Å; G122-L138 WeakPolarHBondContact CA-O 3.26Å; Y123-L138 HydrophobicContact CD2-CB 4.38Å; Y123-L138 PolarHBondContact N-O 3.37Å; Y123-L138 PolarHBondContact O-N 2.78Å; K125-L138 HydrophobicContact CB-CD1 4.36Å; K125-L138 HydrophobicContact CD-CD1 4.41Å; H136-L138 HydrophobicContact CB-CD2 3.97Å; L138-Q142 HydrophobicContact CD1-CB 4.43Å; L138-R143 CarbonylContact C-O 3.46Å; L138-R143 VanDerWaalsContact CA-O 3.28Å; L138-R143 WeakPolarHBondContact CA-O 3.42Å; L138-T144 WeakPolarHBondContact CD2-OG1 3.39Å
139	D	98.1	Very high	94.9	Very high	22 Å²	22	44.9 Å²	44.9	12%	0.118	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	176.2	166.3	74.1	3.3	0	0	0	111.9	N141 Q142 R143 V145 M209	D139-N141 PolarHBondContact O-N 3.48Å; D139-N141 VanDerWaalsContact O-N 3.08Å; D139-N141 VanDerWaalsContact OD1-C 3.24Å; D139-N141 VanDerWaalsContact OD1-CA 3.27Å; D139-N141 WeakPolarHBondContact OD1-CA 3.15Å; D139-N141 WeakPolarHBondContact OD1-CB 3.33Å; D139-N141 PolarHBondContact OD1-N 3.05Å; D139-Q142 WeakPolarHBondContact O-CA 3.42Å; D139-Q142 PolarHBondContact O-N 3.21Å; D139-Q142 PolarHBondContact OD1-N 3.03Å; D139-Q142 VanDerWaalsContact OD1-N 3.13Å; D139-R143 PolarHBondContact N-O 2.97Å; D139-R143 PolarHBondContact OD1-N 2.98Å; D139-R143 IonicContact OD1-NE 3.4Å; D139-R143 IonicContact OD2-CZ 3.6Å; D139-R143 VanDerWaalsContact OD2-CZ 3.31Å; D139-R143 IonicContact OD2-NE 2.76Å; D139-R143 PolarHBondContact OD2-NE 3.37Å; D139-R143 IonicContact OD2-NH2 2.7Å; D139-R143 PolarHBondContact OD2-NH2 3.19Å; D139-V145 HydrophobicContact CB-CG2 3.82Å; D139-M209 HydrophobicContact CB-CE 4.34Å
140	G	96.2	Very high	95.2	Very high	35 Å²	35	43.5 Å²	43.5	36%	0.361	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.4	176.5	0	0	0	0	0	114.6	I121	I121-G140 PolarHBondContact O-N 2.8Å
141	N	97.1	Very high	95.4	Very high	117 Å²	117	43 Å²	43	63%	0.626	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	13.2	173.2	-55.8	-61.5	0	0	0	112.2	D139 R143	D139-N141 PolarHBondContact O-N 3.48Å; D139-N141 VanDerWaalsContact O-N 3.08Å; D139-N141 VanDerWaalsContact OD1-C 3.24Å; D139-N141 VanDerWaalsContact OD1-CA 3.27Å; D139-N141 WeakPolarHBondContact OD1-CA 3.15Å; D139-N141 WeakPolarHBondContact OD1-CB 3.33Å; D139-N141 PolarHBondContact OD1-N 3.05Å; N141-R143 HydrophobicContact CB-CG 4.46Å; N141-R143 PolarHBondContact ND2-NH2 2.97Å; N141-R143 PolarHBondContact O-N 2.96Å
142	Q	96.9	Very high	95.6	Very high	125 Å²	125	42.1 Å²	42.1	58%	0.584	22%	0.223	S	C	*	.	S	Bend	trans	60.9	23.8	-178	-54.6	-174.8	28.4	0	0	114.7	Y123 L138 D139	Y123-Q142 HydrophobicContact CD2-CG 4.23Å; Y123-Q142 HydrophobicContact CE2-CG 3.89Å; L138-Q142 HydrophobicContact CD1-CB 4.43Å; D139-Q142 WeakPolarHBondContact O-CA 3.42Å; D139-Q142 PolarHBondContact O-N 3.21Å; D139-Q142 PolarHBondContact OD1-N 3.03Å; D139-Q142 VanDerWaalsContact OD1-N 3.13Å
143	R	98.3	Very high	95	Very high	154 Å²	154	40.2 Å²	40.2	58%	0.581	22%	0.215	S	C	*	.			trans	-89.4	132.7	174.2	-62.4	177.1	-63.7	-176.9	1.3	109.7	L138 D139 N141 V145	L138-R143 CarbonylContact C-O 3.46Å; L138-R143 VanDerWaalsContact CA-O 3.28Å; L138-R143 WeakPolarHBondContact CA-O 3.42Å; D139-R143 PolarHBondContact N-O 2.97Å; D139-R143 PolarHBondContact OD1-N 2.98Å; D139-R143 IonicContact OD1-NE 3.4Å; D139-R143 IonicContact OD2-CZ 3.6Å; D139-R143 VanDerWaalsContact OD2-CZ 3.31Å; D139-R143 IonicContact OD2-NE 2.76Å; D139-R143 PolarHBondContact OD2-NE 3.37Å; D139-R143 IonicContact OD2-NH2 2.7Å; D139-R143 PolarHBondContact OD2-NH2 3.19Å; N141-R143 HydrophobicContact CB-CG 4.46Å; N141-R143 PolarHBondContact ND2-NH2 2.97Å; N141-R143 PolarHBondContact O-N 2.96Å; R143-V145 PolarHBondContact O-N 3.4Å
144	T	98.4	Very high	94.2	Very high	52 Å²	52	44.1 Å²	44.1	32%	0.319	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	121.2	174.1	-51.6	0	0	0	0	110.2	H136 L138 L146 Q147 A170	H136-T144 HydrophobicContact CB-CG2 4.17Å; H136-T144 PolarHBondContact ND1-OG1 2.92Å; L138-T144 WeakPolarHBondContact CD2-OG1 3.39Å; T144-L146 WeakPolarHBondContact CG2-O 3.28Å; T144-Q147 HydrophobicContact CG2-CG 4.22Å; T144-A170 WeakPolarHBondContact O-CB 3.23Å
145	V	98.3	Very high	93.1	Very high	49 Å²	49	47.8 Å²	47.8	30%	0.297	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-38.7	175.5	-175.1	0	0	0	0	110.6	I137 D139 R143 A170 M209	I137-V145 PolarHBondContact O-N 2.93Å; D139-V145 HydrophobicContact CB-CG2 3.82Å; R143-V145 PolarHBondContact O-N 3.4Å; V145-A170 WeakPolarHBondContact O-CA 3.45Å; V145-A170 WeakPolarHBondContact O-CB 3.38Å; V145-A170 PolarHBondContact O-N 3.26Å; V145-A170 VanDerWaalsContact O-N 3.08Å; V145-M209 HydrophobicContact CB-CG 4.48Å; V145-M209 HydrophobicContact CB-SD 3.88Å; V145-M209 HydrophobicContact CG1-CG 4.05Å; V145-M209 HydrophobicContact CG1-SD 4.11Å; V145-M209 HydrophobicContact CG2-SD 3.9Å
146	L	98.7	Very high	91.7	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	161.1	178.8	-49.6	169.3	0	0	0	110.5	I137 T144 V167 T168 I176 L205 M209 L213	I137-L146 HydrophobicContact CB-CB 3.87Å; I137-L146 HydrophobicContact CG1-CB 4.1Å; I137-L146 HydrophobicContact CG2-CB 4.46Å; I137-L146 HydrophobicContact CG2-CD1 4.4Å; I137-L146 PolarHBondContact N-O 3.31Å; I137-L146 PolarHBondContact O-N 3.2Å; T144-L146 WeakPolarHBondContact CG2-O 3.28Å; L146-V167 HydrophobicContact CB-CG1 4.17Å; L146-V167 HydrophobicContact CD1-CG1 4.04Å; L146-T168 VanDerWaalsContact CA-O 3.24Å; L146-T168 WeakPolarHBondContact CA-O 3.41Å; L146-T168 WeakPolarHBondContact CB-O 3.44Å; L146-T168 WeakPolarHBondContact CD2-O 3.27Å; L146-I176 HydrophobicContact CD1-CD1 4.07Å; L146-I176 HydrophobicContact CD2-CD1 3.3Å; L146-I176 HydrophobicContact CD2-CG1 4.25Å; L146-I176 HydrophobicContact CG-CD1 4.32Å; L146-L205 HydrophobicContact CD1-CD1 4.37Å; L146-L205 HydrophobicContact CD1-CD2 4.16Å; L146-L205 HydrophobicContact CD2-CD1 4.5Å; L146-M209 HydrophobicContact CD1-CB 4.5Å; L146-L213 HydrophobicContact CD1-CD1 3.79Å; L146-L213 HydrophobicContact CD1-CD2 4.21Å; L146-L213 HydrophobicContact CD1-CG 4.08Å
147	Q	98.5	Very high	90.1	Very high	38 Å²	38	53.6 Å²	53.6	18%	0.178	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.6	168.3	-53.8	-176.5	10.9	0	0	109.8	Y135 T144 H149 V167 T168 A170	Y135-Q147 CarbonylContact O-C 3.44Å; Y135-Q147 WeakPolarHBondContact O-CA 3.43Å; T144-Q147 HydrophobicContact CG2-CG 4.22Å; Q147-H149 PolarHBondContact OE1-CE1 3.08Å; Q147-V167 CarbonylContact O-C 3.57Å; Q147-V167 VanDerWaalsContact O-CA 3.31Å; Q147-V167 WeakPolarHBondContact O-CA 3.1Å; Q147-T168 PolarHBondContact N-O 3.24Å; Q147-T168 PolarHBondContact O-N 2.68Å; Q147-A170 PolarHBondContact NE2-O 3.39Å
148	I	98.2	Very high	88.3	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125	172.7	-59.5	179.5	0	0	0	106.8	D134 Y135 I137 F165 K166 V167 I179 L213 A216	D134-I148 CarbonylContact C-O 3.58Å; D134-I148 WeakPolarHBondContact CA-O 3.49Å; Y135-I148 HydrophobicContact CD2-CB 4.49Å; Y135-I148 HydrophobicContact CD2-CG2 4.4Å; Y135-I148 PolarHBondContact N-O 2.9Å; Y135-I148 PolarHBondContact O-N 3.2Å; I137-I148 HydrophobicContact CD1-CD1 3.65Å; I137-I148 HydrophobicContact CD1-CG1 4.22Å; I137-I148 HydrophobicContact CG1-CD1 4.04Å; I137-I148 HydrophobicContact CG1-CG1 4.09Å; I148-F165 HydrophobicContact CG2-CB 3.68Å; I148-F165 HydrophobicContact CG2-CD1 3.99Å; I148-F165 HydrophobicContact CG2-CG 4.29Å; I148-K166 CarbonylContact C-O 3.48Å; I148-K166 VanDerWaalsContact CA-O 3.29Å; I148-K166 WeakPolarHBondContact CA-O 3.09Å; I148-V167 HydrophobicContact CG1-CG2 4.37Å; I148-I179 HydrophobicContact CD1-CD1 3.91Å; I148-L213 HydrophobicContact CD1-CD2 4.14Å; I148-L213 HydrophobicContact CG1-CD2 4.44Å; I148-A216 HydrophobicContact CD1-CB 3.82Å
149	H	96.3	Very high	86.5	Confident	55 Å²	55	63.8 Å²	63.8	26%	0.255	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.2	178.7	-56.2	-80.4	0	0	0	109.6	D134 Q147 F165 K166 T168	D134-H149 VanDerWaalsContact OD1-CA 3.3Å; D134-H149 WeakPolarHBondContact OD1-CA 3.46Å; Q147-H149 PolarHBondContact OE1-CE1 3.08Å; H149-F165 CarbonylContact O-C 3.5Å; H149-F165 VanDerWaalsContact O-CA 3.25Å; H149-F165 WeakPolarHBondContact O-CA 3.12Å; H149-K166 HydrophobicContact CB-CB 4.44Å; H149-K166 PolarHBondContact N-O 3.06Å; H149-K166 PolarHBondContact O-N 3.4Å; H149-T168 PolarHBondContact NE2-OG1 2.88Å
150	G	93	Very high	85	Confident	13 Å²	13	64.5 Å²	64.5	13%	0.134	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-102.8	173.4	-175.6	0	0	0	0	0	113.4	L133 D134	L133-G150 WeakPolarHBondContact O-CA 3.33Å; L133-G150 PolarHBondContact O-N 2.98Å; D134-G150 PolarHBondContact OD1-N 3.04Å
151	P	90.2	Very high	84.1	Confident	25 Å²	25	65 Å²	65	16%	0.162	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-66.4	169.6	169.2	34.4	-39.6	0	0	0	110.9	L133 F155 I163 F165	L133-P151 WeakPolarHBondContact CB-O 3.49Å; L133-P151 HydrophobicContact CD1-CG 4.41Å; L133-P151 WeakPolarHBondContact CG-O 3.03Å; L133-P151 PolarHBondContact N-O 2.88Å; P151-F155 HydrophobicContact CB-CB 4.19Å; P151-F155 HydrophobicContact CB-CG 4.29Å; P151-I163 HydrophobicContact CG-CG2 3.76Å; P151-F165 HydrophobicContact CG-CZ 4.47Å
152	S	86.3	Confident	83.5	Confident	34 Å²	34	62.5 Å²	62.5	24%	0.238	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-58.1	139.1	165.6	177.1	0	0	0	0	110.5	C131 C154 F155	C131-S152 WeakPolarHBondContact CB-OG 3.27Å; C131-S152 CarbonylContact O-C 3.43Å; C131-S152 WeakPolarHBondContact O-CA 3.33Å; S152-C154 PolarHBondContact O-N 2.92Å; S152-C154 PolarHBondContact OG-N 2.65Å; S152-F155 WeakPolarHBondContact O-CB 3.26Å; S152-F155 PolarHBondContact O-N 2.69Å
153	C	76.1	Confident	83.1	Confident	27 Å²	27	57 Å²	57	18%	0.182	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.4	171.5	65.6	0	0	0	0	112.3	C100 C131 L133 F155	C100-C153 PolarHBondContact SG-SG 2.88Å; C131-C153 PolarHBondContact O-N 3.14Å; C131-C153 PolarHBondContact O-SG 3.36Å; C131-C153 VanDerWaalsContact O-SG 3.39Å; L133-C153 HydrophobicContact CD2-CB 3.78Å; L133-C153 HydrophobicContact CG-CB 4.1Å; C153-F155 VanDerWaalsContact C-N 3.3Å
154	C	72.7	Confident	82.8	Confident	93 Å²	93	52.2 Å²	52.2	63%	0.628	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	3.7	173.6	-56.8	0	0	0	0	112.6	S152 C156	S152-C154 PolarHBondContact O-N 2.92Å; S152-C154 PolarHBondContact OG-N 2.65Å; C154-C156 PolarHBondContact O-N 2.71Å
155	F	71.1	Confident	82.7	Confident	90 Å²	90	49.8 Å²	49.8	40%	0.395	30%	0.297	S	S	.	.			trans	-58.5	122.5	175.2	-176.4	-100.8	0	0	0	109	P151 S152 C153 E157	P151-F155 HydrophobicContact CB-CB 4.19Å; P151-F155 HydrophobicContact CB-CG 4.29Å; S152-F155 WeakPolarHBondContact O-CB 3.26Å; S152-F155 PolarHBondContact O-N 2.69Å; C153-F155 VanDerWaalsContact C-N 3.3Å; F155-E157 PolarHBondContact O-N 3.03Å
156	C	65.7	Low	82.6	Confident	90 Å²	90	52.1 Å²	52.1	61%	0.608	30%	0.303	S	S	*	.			trans	-66.5	119.3	171.4	-175.2	0	0	0	0	107.3	C154 C158	C154-C156 PolarHBondContact O-N 2.71Å; C156-C158 PolarHBondContact O-N 2.79Å
157	E	64.3	Low	82.6	Confident	87 Å²	87	51.9 Å²	51.9	41%	0.407	30%	0.302	S	S	.	.			trans	-63.7	80.5	165.7	-66.1	-168.7	157	0	0	108.3	F155 L159 I163 R181 F225	F155-E157 PolarHBondContact O-N 3.03Å; E157-L159 PolarHBondContact O-N 2.7Å; E157-I163 HydrophobicContact CG-CD1 4.21Å; E157-R181 IonicContact OE1-CZ 3.31Å; E157-R181 IonicContact OE1-NH1 3.58Å; E157-R181 PolarHBondContact OE1-NH1 3.13Å; E157-R181 IonicContact OE2-NH1 3.12Å; E157-F225 WeakPolarHBondContact OE1-CD1 3.42Å; E157-F225 VanDerWaalsContact OE1-CE1 3.26Å; E157-F225 WeakPolarHBondContact OE1-CE1 3.28Å
158	C	62.6	Low	82.6	Confident	75 Å²	75	50.5 Å²	50.5	51%	0.507	30%	0.296	S	S	.	.			trans	-62.9	131.1	170.1	-69.2	0	0	0	0	107.8	C156 G160 S161	C156-C158 PolarHBondContact O-N 2.79Å; C158-G160 PolarHBondContact O-N 3.5Å; C158-S161 PolarHBondContact O-N 3.12Å; C158-S161 PolarHBondContact O-OG 3.11Å
159	L	60.6	Low	82.6	Confident	152 Å²	152	51.7 Å²	51.7	80%	0.796	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	125.6	178.3	-64.8	165.5	0	0	0	109.7	E157 W183	E157-L159 PolarHBondContact O-N 2.7Å; L159-W183 HydrophobicContact CB-CH2 4.28Å; L159-W183 HydrophobicContact CB-CZ2 4.02Å; L159-W183 HydrophobicContact CD2-CH2 4.32Å; L159-W183 HydrophobicContact CD2-CZ2 3.52Å; L159-W183 HydrophobicContact CG-CZ2 4.38Å
160	G	66.4	Low	82.7	Confident	37 Å²	37	51.1 Å²	51.1	38%	0.381	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.8	-5.2	173.2	0	0	0	0	0	117.1	C158 W183	C158-G160 PolarHBondContact O-N 3.5Å; G160-W183 VanDerWaalsContact CA-CE3 3.49Å
161	S	77.1	Confident	82.9	Confident	44 Å²	44	55.4 Å²	55.4	31%	0.308	33%	0.329	S	S	.	.			trans	-97	131	178.3	61.7	0	0	0	0	113	C158	C158-S161 PolarHBondContact O-N 3.12Å; C158-S161 PolarHBondContact O-OG 3.11Å
162	D	84.1	Confident	83.2	Confident	66 Å²	66	55.6 Å²	55.6	35%	0.353	34%	0.336	S	S	.	.			trans	-62.1	144	165.9	-69.3	-14.6	0	0	0	110.7	T180 R181 K182 W183	D162-T180 HydrophobicContact CB-CG2 4.1Å; D162-R181 WeakPolarHBondContact CA-O 3.24Å; D162-K182 VanDerWaalsContact CG-CD 3.44Å; D162-K182 WeakPolarHBondContact OD1-CA 3.39Å; D162-K182 VanDerWaalsContact OD1-CD 3.3Å; D162-K182 WeakPolarHBondContact OD1-CD 3.28Å; D162-K182 WeakPolarHBondContact OD2-CD 3.37Å; D162-K182 WeakPolarHBondContact OD2-CE 3.27Å; D162-K182 IonicContact OD2-NZ 3.52Å; D162-K182 PolarHBondContact OD2-NZ 3.33Å; D162-W183 PolarHBondContact OD1-N 2.8Å
163	I	88.1	Confident	83.7	Confident	9 Å²	9	58.7 Å²	58.7	5%	0.046	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.2	175.2	-60.2	170.1	0	0	0	108.5	P151 E157 F165 T180 R181 Y224 F225	P151-I163 HydrophobicContact CG-CG2 3.76Å; E157-I163 HydrophobicContact CG-CD1 4.21Å; I163-F165 HydrophobicContact CG2-CD2 4.32Å; I163-F165 HydrophobicContact CG2-CE2 3.71Å; I163-F165 HydrophobicContact CG2-CZ 4.4Å; I163-T180 CarbonylContact O-C 3.57Å; I163-T180 WeakPolarHBondContact O-CA 3.26Å; I163-R181 HydrophobicContact CB-CB 4.26Å; I163-R181 PolarHBondContact N-O 2.88Å; I163-R181 PolarHBondContact O-N 2.77Å; I163-Y224 HydrophobicContact CD1-CE1 4.25Å; I163-F225 HydrophobicContact CB-CZ 4.25Å; I163-F225 HydrophobicContact CD1-CE1 3.4Å; I163-F225 HydrophobicContact CD1-CZ 3.55Å; I163-F225 HydrophobicContact CG1-CZ 4.5Å; I163-F225 HydrophobicContact CG2-CZ 4.13Å
164	V	92	Very high	84.7	Confident	54 Å²	54	61.2 Å²	61.2	33%	0.327	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.7	-174.1	-178.1	0	0	0	0	110.3	K166 R178 T180	V164-K166 HydrophobicContact CG1-CG 4.46Å; V164-R178 HydrophobicContact CG1-CB 4.49Å; V164-R178 HydrophobicContact CG1-CG 4.43Å; V164-T180 HydrophobicContact CG2-CG2 4.18Å
165	F	95.7	Very high	85.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.4	166.9	-63.6	-106	0	0	0	108	L133 I148 H149 P151 I163 R178 I179 I220 F225	L133-F165 HydrophobicContact CB-CE1 3.79Å; L133-F165 HydrophobicContact CD1-CE1 4.31Å; L133-F165 HydrophobicContact CD1-CZ 4.22Å; I148-F165 HydrophobicContact CG2-CB 3.68Å; I148-F165 HydrophobicContact CG2-CD1 3.99Å; I148-F165 HydrophobicContact CG2-CG 4.29Å; H149-F165 CarbonylContact O-C 3.5Å; H149-F165 VanDerWaalsContact O-CA 3.25Å; H149-F165 WeakPolarHBondContact O-CA 3.12Å; P151-F165 HydrophobicContact CG-CZ 4.47Å; I163-F165 HydrophobicContact CG2-CD2 4.32Å; I163-F165 HydrophobicContact CG2-CE2 3.71Å; I163-F165 HydrophobicContact CG2-CZ 4.4Å; F165-R178 CarbonylContact O-C 3.47Å; F165-R178 VanDerWaalsContact O-CA 3.31Å; F165-R178 WeakPolarHBondContact O-CA 3.25Å; F165-I179 HydrophobicContact CB-CB 4.15Å; F165-I179 PolarHBondContact N-O 3Å; F165-I179 PolarHBondContact O-N 2.84Å; F165-I220 HydrophobicContact CD1-CD1 4.02Å; F165-I220 HydrophobicContact CD2-CG2 4.47Å; F165-I220 HydrophobicContact CE1-CD1 4.16Å; F165-I220 HydrophobicContact CE1-CG1 4.41Å; F165-I220 HydrophobicContact CE1-CG2 4.19Å; F165-I220 HydrophobicContact CE2-CG2 3.72Å; F165-I220 HydrophobicContact CG-CD1 4.21Å; F165-I220 HydrophobicContact CZ-CD1 4.49Å; F165-I220 HydrophobicContact CZ-CG2 3.56Å; F165-F225 HydrophobicContact CE2-CE2 4.44Å
166	K	97.9	Very high	87.1	Confident	99 Å²	99	58.5 Å²	58.5	43%	0.43	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.7	-179.6	-65.8	178.8	174.5	-168.2	0	110.2	I148 H149 V164 E175	I148-K166 CarbonylContact C-O 3.48Å; I148-K166 VanDerWaalsContact CA-O 3.29Å; I148-K166 WeakPolarHBondContact CA-O 3.09Å; H149-K166 HydrophobicContact CB-CB 4.44Å; H149-K166 PolarHBondContact N-O 3.06Å; H149-K166 PolarHBondContact O-N 3.4Å; V164-K166 HydrophobicContact CG1-CG 4.46Å; K166-E175 WeakPolarHBondContact CD-OE2 3.41Å; K166-E175 IonicContact NZ-OE2 3.74Å
167	V	98.6	Very high	88.7	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.1	174.1	-173.5	0	0	0	0	108.7	L146 Q147 I148 I176 G177 L213	L146-V167 HydrophobicContact CB-CG1 4.17Å; L146-V167 HydrophobicContact CD1-CG1 4.04Å; Q147-V167 CarbonylContact O-C 3.57Å; Q147-V167 VanDerWaalsContact O-CA 3.31Å; Q147-V167 WeakPolarHBondContact O-CA 3.1Å; I148-V167 HydrophobicContact CG1-CG2 4.37Å; V167-I176 HydrophobicContact CB-CG1 4.39Å; V167-I176 HydrophobicContact CG1-CD1 4.21Å; V167-I176 HydrophobicContact CG1-CG1 3.95Å; V167-I176 PolarHBondContact O-N 2.84Å; V167-G177 WeakPolarHBondContact CA-O 3.37Å; V167-G177 WeakPolarHBondContact CB-O 3.28Å; V167-G177 PolarHBondContact N-O 2.91Å; V167-G177 PolarHBondContact O-N 2.87Å; V167-L213 HydrophobicContact CG1-CD1 4.34Å; V167-L213 HydrophobicContact CG1-CD2 3.93Å; V167-L213 HydrophobicContact CG2-CD2 4.12Å
168	T	98.6	Very high	90.3	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.055	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	166.4	-179.8	63.4	0	0	0	0	112.1	L146 Q147 H149 G172 V174	L146-T168 VanDerWaalsContact CA-O 3.24Å; L146-T168 WeakPolarHBondContact CA-O 3.41Å; L146-T168 WeakPolarHBondContact CB-O 3.44Å; L146-T168 WeakPolarHBondContact CD2-O 3.27Å; Q147-T168 PolarHBondContact N-O 3.24Å; Q147-T168 PolarHBondContact O-N 2.68Å; H149-T168 PolarHBondContact NE2-OG1 2.88Å; T168-G172 WeakPolarHBondContact OG1-CA 3.4Å; T168-V174 CarbonylContact C-O 3.37Å; T168-V174 WeakPolarHBondContact CA-O 3.18Å; T168-V174 VanDerWaalsContact CB-O 3.3Å; T168-V174 WeakPolarHBondContact CB-O 3.3Å
169	S	98	Very high	91.9	Very high	25 Å²	25	51.8 Å²	51.8	18%	0.175	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	163.5	163.1	51.6	0	0	0	0	112.6	D171 G172 T173 V174	S169-D171 VanDerWaalsContact CB-OD1 3.32Å; S169-D171 WeakPolarHBondContact CB-OD1 3.26Å; S169-D171 PolarHBondContact O-N 3.18Å; S169-D171 VanDerWaalsContact O-N 3.14Å; S169-D171 PolarHBondContact OG-OD1 3.23Å; S169-G172 PolarHBondContact O-N 2.86Å; S169-T173 PolarHBondContact OG-N 3.5Å; S169-V174 PolarHBondContact N-O 2.86Å; S169-V174 PolarHBondContact OG-N 3Å; S169-V174 PolarHBondContact OG-O 2.78Å
170	A	97.8	Very high	93.4	Very high	43 Å²	43	45.9 Å²	45.9	36%	0.355	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31	-177.7	0	0	0	0	0	114.5	T144 V145 Q147	T144-A170 WeakPolarHBondContact O-CB 3.23Å; V145-A170 WeakPolarHBondContact O-CA 3.45Å; V145-A170 WeakPolarHBondContact O-CB 3.38Å; V145-A170 PolarHBondContact O-N 3.26Å; V145-A170 VanDerWaalsContact O-N 3.08Å; Q147-A170 PolarHBondContact NE2-O 3.39Å
171	D	96.8	Very high	94.4	Very high	103 Å²	103	47 Å²	47	55%	0.551	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.6	178.9	66.6	-15	0	0	0	113.4	S169 T173	S169-D171 VanDerWaalsContact CB-OD1 3.32Å; S169-D171 WeakPolarHBondContact CB-OD1 3.26Å; S169-D171 PolarHBondContact O-N 3.18Å; S169-D171 VanDerWaalsContact O-N 3.14Å; S169-D171 PolarHBondContact OG-OD1 3.23Å; D171-T173 VanDerWaalsContact C-N 3.3Å; D171-T173 HydrophobicContact CB-CG2 4.3Å; D171-T173 PolarHBondContact O-N 3.18Å; D171-T173 PolarHBondContact OD1-N 3.34Å; D171-T173 VanDerWaalsContact OD1-N 3.17Å; D171-T173 PolarHBondContact OD1-OG1 2.79Å; D171-T173 VanDerWaalsContact OD2-CG2 3.28Å; D171-T173 WeakPolarHBondContact OD2-CG2 3.21Å; D171-T173 PolarHBondContact OD2-OG1 3.21Å
172	G	96.1	Very high	94.6	Very high	29 Å²	29	49.3 Å²	49.3	30%	0.299	27%	0.265	S	S	.	.	S	Bend	trans	79.6	2.7	179.6	0	0	0	0	0	115.3	T168 S169	T168-G172 WeakPolarHBondContact OG1-CA 3.4Å; S169-G172 PolarHBondContact O-N 2.86Å
173	T	96.7	Very high	93.8	Very high	99 Å²	99	49.8 Å²	49.8	61%	0.607	26%	0.262	S	S	*	.			trans	-91.4	-31.5	-166.7	65.1	0	0	0	0	114.4	S169 D171	S169-T173 PolarHBondContact OG-N 3.5Å; D171-T173 VanDerWaalsContact C-N 3.3Å; D171-T173 HydrophobicContact CB-CG2 4.3Å; D171-T173 PolarHBondContact O-N 3.18Å; D171-T173 PolarHBondContact OD1-N 3.34Å; D171-T173 VanDerWaalsContact OD1-N 3.17Å; D171-T173 PolarHBondContact OD1-OG1 2.79Å; D171-T173 VanDerWaalsContact OD2-CG2 3.28Å; D171-T173 WeakPolarHBondContact OD2-CG2 3.21Å; D171-T173 PolarHBondContact OD2-OG1 3.21Å
174	V	97.6	Very high	92.3	Very high	81 Å²	81	52.8 Å²	52.8	49%	0.491	28%	0.284	S	S	.	.	S	Bend	trans	-114.5	119.8	-176.3	-177.8	0	0	0	0	109.7	T168 S169 I176	T168-V174 CarbonylContact C-O 3.37Å; T168-V174 WeakPolarHBondContact CA-O 3.18Å; T168-V174 VanDerWaalsContact CB-O 3.3Å; T168-V174 WeakPolarHBondContact CB-O 3.3Å; S169-V174 PolarHBondContact N-O 2.86Å; S169-V174 PolarHBondContact OG-N 3Å; S169-V174 PolarHBondContact OG-O 2.78Å; V174-I176 HydrophobicContact CG1-CG2 4.17Å; V174-I176 PolarHBondContact O-N 2.81Å
175	E	98.1	Very high	90.3	Very high	79 Å²	79	55.8 Å²	55.8	37%	0.369	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.9	170.2	-167.7	-177.4	125.4	0	0	109.6	K166 R178	K166-E175 WeakPolarHBondContact CD-OE2 3.41Å; K166-E175 IonicContact NZ-OE2 3.74Å; E175-R178 IonicContact OE1-CZ 2.96Å; E175-R178 IonicContact OE1-NE 2.95Å; E175-R178 PolarHBondContact OE1-NE 2.94Å; E175-R178 IonicContact OE1-NH2 3.44Å; E175-R178 PolarHBondContact OE1-NH2 3.24Å; E175-R178 IonicContact OE2-NH2 3.53Å
176	I	97	Very high	87.8	Confident	46 Å²	46	61.9 Å²	61.9	24%	0.236	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-15.4	-177.3	67.1	152.4	0	0	0	113.2	L146 V167 V174 P202 L205	L146-I176 HydrophobicContact CD1-CD1 4.07Å; L146-I176 HydrophobicContact CD2-CD1 3.3Å; L146-I176 HydrophobicContact CD2-CG1 4.25Å; L146-I176 HydrophobicContact CG-CD1 4.32Å; V167-I176 HydrophobicContact CB-CG1 4.39Å; V167-I176 HydrophobicContact CG1-CD1 4.21Å; V167-I176 HydrophobicContact CG1-CG1 3.95Å; V167-I176 PolarHBondContact O-N 2.84Å; V174-I176 HydrophobicContact CG1-CG2 4.17Å; V174-I176 PolarHBondContact O-N 2.81Å; I176-P202 HydrophobicContact CB-CG 3.93Å; I176-P202 HydrophobicContact CD1-CG 4.4Å; I176-P202 VanDerWaalsContact O-CD 3.23Å; I176-P202 WeakPolarHBondContact O-CD 3.47Å; I176-L205 HydrophobicContact CD1-CD1 4.28Å; I176-L205 HydrophobicContact CD1-CD2 4.45Å
177	G	97.8	Very high	85.1	Confident	7 Å²	7	61.7 Å²	61.7	7%	0.072	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	-177.7	-171.2	0	0	0	0	0	112.1	V167 S200	V167-G177 WeakPolarHBondContact CA-O 3.37Å; V167-G177 WeakPolarHBondContact CB-O 3.28Å; V167-G177 PolarHBondContact N-O 2.91Å; V167-G177 PolarHBondContact O-N 2.87Å; G177-S200 VanDerWaalsContact CA-O 3.25Å; G177-S200 WeakPolarHBondContact CA-O 2.99Å
178	R	97.8	Very high	82.5	Confident	105 Å²	105	69.9 Å²	69.9	40%	0.396	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	150.6	-177.6	-60.6	-177.9	178.9	-168.6	-2.2	111.4	V164 F165 E175 V199 S200	V164-R178 HydrophobicContact CG1-CB 4.49Å; V164-R178 HydrophobicContact CG1-CG 4.43Å; F165-R178 CarbonylContact O-C 3.47Å; F165-R178 VanDerWaalsContact O-CA 3.31Å; F165-R178 WeakPolarHBondContact O-CA 3.25Å; E175-R178 IonicContact OE1-CZ 2.96Å; E175-R178 IonicContact OE1-NE 2.95Å; E175-R178 PolarHBondContact OE1-NE 2.94Å; E175-R178 IonicContact OE1-NH2 3.44Å; E175-R178 PolarHBondContact OE1-NH2 3.24Å; E175-R178 IonicContact OE2-NH2 3.53Å; R178-V199 CarbonylContact O-C 3.59Å; R178-V199 WeakPolarHBondContact O-CA 3.2Å; R178-S200 PolarHBondContact N-O 2.81Å; R178-S200 PolarHBondContact N-OG 3.29Å; R178-S200 PolarHBondContact O-N 2.88Å
179	I	96.5	Very high	79.6	Confident	0 Å²	0	77 Å²	77	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.4	158.3	-60.3	167.7	0	0	0	106.9	I148 F165 F197 G198 V199 A216 V217 I220	I148-I179 HydrophobicContact CD1-CD1 3.91Å; F165-I179 HydrophobicContact CB-CB 4.15Å; F165-I179 PolarHBondContact N-O 3Å; F165-I179 PolarHBondContact O-N 2.84Å; I179-F197 HydrophobicContact CG2-CD1 4.28Å; I179-G198 CarbonylContact C-O 3.59Å; I179-G198 VanDerWaalsContact CA-O 3.28Å; I179-G198 WeakPolarHBondContact CA-O 3.4Å; I179-V199 HydrophobicContact CG1-CB 4.15Å; I179-V199 HydrophobicContact CG1-CG2 3.82Å; I179-A216 HydrophobicContact CD1-CB 4.24Å; I179-V217 HydrophobicContact CD1-CG2 4.09Å; I179-V217 HydrophobicContact CG1-CG2 4.16Å; I179-V217 HydrophobicContact CG2-CG2 4.03Å; I179-I220 HydrophobicContact CD1-CD1 3.94Å
180	T	92.7	Very high	76.8	Confident	27 Å²	27	83.1 Å²	83.1	17%	0.166	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.6	-176.5	-55.6	0	0	0	0	110.1	D162 I163 V164 K182 F197 G198	D162-T180 HydrophobicContact CB-CG2 4.1Å; I163-T180 CarbonylContact O-C 3.57Å; I163-T180 WeakPolarHBondContact O-CA 3.26Å; V164-T180 HydrophobicContact CG2-CG2 4.18Å; T180-K182 HydrophobicContact CG2-CD 4.21Å; T180-F197 CarbonylContact O-C 3.58Å; T180-F197 VanDerWaalsContact O-CA 3.3Å; T180-F197 WeakPolarHBondContact O-CA 3.46Å; T180-G198 PolarHBondContact N-O 2.05Å; T180-G198 PolarHBondContact O-N 3.26Å
181	R	87.5	Confident	74.4	Confident	60 Å²	60	91.7 Å²	91.7	23%	0.226	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.8	164.8	-176.7	178.6	177.6	-141	8	108.6	E157 D162 I163 N196 F197 F225	E157-R181 IonicContact OE1-CZ 3.31Å; E157-R181 IonicContact OE1-NH1 3.58Å; E157-R181 PolarHBondContact OE1-NH1 3.13Å; E157-R181 IonicContact OE2-NH1 3.12Å; D162-R181 WeakPolarHBondContact CA-O 3.24Å; I163-R181 HydrophobicContact CB-CB 4.26Å; I163-R181 PolarHBondContact N-O 2.88Å; I163-R181 PolarHBondContact O-N 2.77Å; R181-N196 WeakPolarHBondContact CG-O 3.34Å; R181-F197 HydrophobicContact CB-CD1 3.86Å; R181-F197 HydrophobicContact CB-CE1 3.59Å; R181-F197 HydrophobicContact CB-CZ 4.18Å; R181-F197 HydrophobicContact CG-CD1 4.38Å; R181-F197 HydrophobicContact CG-CE1 3.9Å; R181-F197 HydrophobicContact CG-CZ 3.94Å; R181-F225 HydrophobicContact CB-CE2 4.38Å; R181-F225 HydrophobicContact CB-CZ 4.32Å; R181-F225 VanDerWaalsContact CD-CE1 3.5Å; R181-F225 VanDerWaalsContact CD-CE2 3.47Å; R181-F225 HydrophobicContact CG-CZ 4.43Å
182	K	81.6	Confident	72.1	Confident	93 Å²	93	89.8 Å²	89.8	40%	0.404	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-86.5	142.3	174.8	-66.4	-62.7	-167.9	169.8	0	110.6	D162 T180 D195	D162-K182 VanDerWaalsContact CG-CD 3.44Å; D162-K182 WeakPolarHBondContact OD1-CA 3.39Å; D162-K182 VanDerWaalsContact OD1-CD 3.3Å; D162-K182 WeakPolarHBondContact OD1-CD 3.28Å; D162-K182 WeakPolarHBondContact OD2-CD 3.37Å; D162-K182 WeakPolarHBondContact OD2-CE 3.27Å; D162-K182 IonicContact OD2-NZ 3.52Å; D162-K182 PolarHBondContact OD2-NZ 3.33Å; T180-K182 HydrophobicContact CG2-CD 4.21Å; K182-D195 HydrophobicContact CB-CB 4.13Å; K182-D195 HydrophobicContact CG-CB 3.92Å
183	W	66.4	Low	69.6	Low	77 Å²	77	93 Å²	93	29%	0.292	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-85	124.2	173	-163.8	79.5	0	0	0	110.7	L159 G160 D162 N185 I186	L159-W183 HydrophobicContact CB-CH2 4.28Å; L159-W183 HydrophobicContact CB-CZ2 4.02Å; L159-W183 HydrophobicContact CD2-CH2 4.32Å; L159-W183 HydrophobicContact CD2-CZ2 3.52Å; L159-W183 HydrophobicContact CG-CZ2 4.38Å; G160-W183 VanDerWaalsContact CA-CE3 3.49Å; D162-W183 PolarHBondContact OD1-N 2.8Å; W183-N185 HydrophobicContact CD2-CB 4.32Å; W183-N185 HydrophobicContact CE3-CB 3.77Å; W183-N185 HydrophobicContact CH2-CB 3.31Å; W183-N185 HydrophobicContact CZ2-CB 3.83Å; W183-N185 HydrophobicContact CZ3-CB 3.27Å; W183-N185 PolarHBondContact O-N 2.75Å; W183-I186 HydrophobicContact CE3-CD1 4.21Å; W183-I186 HydrophobicContact CE3-CG1 4.4Å; W183-I186 HydrophobicContact CZ3-CB 4.49Å; W183-I186 HydrophobicContact CZ3-CD1 3.69Å; W183-I186 HydrophobicContact CZ3-CG1 3.83Å
184	S	57.7	Low	66.8	Low	71 Å²	71	90 Å²	90	50%	0.497	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.2	-162.9	60.7	0	0	0	0	116.9
185	N	49.4	Very low	64.8	Low	118 Å²	118	88.6 Å²	88.6	63%	0.631	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	11.1	-160.9	-82.8	13.6	0	0	0	115.9	W183	W183-N185 HydrophobicContact CD2-CB 4.32Å; W183-N185 HydrophobicContact CE3-CB 3.77Å; W183-N185 HydrophobicContact CH2-CB 3.31Å; W183-N185 HydrophobicContact CZ2-CB 3.83Å; W183-N185 HydrophobicContact CZ3-CB 3.27Å; W183-N185 PolarHBondContact O-N 2.75Å
186	I	44.1	Very low	63.7	Low	128 Å²	128	87 Å²	87	66%	0.656	43%	0.434	S	S	*	.	S	Bend	trans	-121.8	-3.5	-177.7	-82.3	164.1	0	0	0	116.8	W183	W183-I186 HydrophobicContact CE3-CD1 4.21Å; W183-I186 HydrophobicContact CE3-CG1 4.4Å; W183-I186 HydrophobicContact CZ3-CB 4.49Å; W183-I186 HydrophobicContact CZ3-CD1 3.69Å; W183-I186 HydrophobicContact CZ3-CG1 3.83Å
187	I	40.3	Very low	63.4	Low	94 Å²	94	84.9 Å²	84.9	48%	0.482	42%	0.423	S	S	.	.			trans	-128.5	79.8	-171.1	-41.7	-177.2	0	0	0	114.5	E189 T192 D193	I187-E189 VanDerWaalsContact C-N 3.34Å; I187-E189 PolarHBondContact O-N 3.27Å; I187-T192 VanDerWaalsContact CG2-CB 3.41Å; I187-T192 HydrophobicContact CG2-CG2 3.79Å; I187-T192 WeakPolarHBondContact CG2-OG1 3.42Å; I187-T192 CarbonylContact O-C 3.55Å; I187-T192 VanDerWaalsContact O-CB 3.23Å; I187-T192 WeakPolarHBondContact O-CB 3.34Å; I187-T192 PolarHBondContact O-OG1 2.96Å; I187-D193 VanDerWaalsContact C-OD1 3.28Å
188	Q	43.5	Very low	63.1	Low	174 Å²	174	85 Å²	85	81%	0.813	43%	0.425	S	S	*	.			trans	-79.1	-0.5	174.5	-71.4	-177.8	-13.7	0	0	115.5
189	E	38.7	Very low	63.1	Low	159 Å²	159	80 Å²	80	74%	0.743	41%	0.406	S	S	*	.	S	Bend	trans	-117.1	107.6	-169.2	-66.1	-169.2	172.8	0	0	113.4	I187 T192	I187-E189 VanDerWaalsContact C-N 3.34Å; I187-E189 PolarHBondContact O-N 3.27Å; E189-T192 PolarHBondContact N-OG1 3.31Å; E189-T192 PolarHBondContact O-OG1 3.11Å; E189-T192 VanDerWaalsContact O-OG1 3.08Å
190	L	38.6	Very low	63.1	Low	152 Å²	152	81.9 Å²	81.9	80%	0.796	42%	0.418	S	S	*	.	S	Bend	trans	83.9	74.7	167.5	-55.9	160.3	0	0	0	115.6	T192	L190-T192 VanDerWaalsContact C-N 3.35Å; L190-T192 VanDerWaalsContact O-CG2 3.25Å; L190-T192 WeakPolarHBondContact O-CG2 3.21Å; L190-T192 PolarHBondContact O-N 3.19Å
191	F	47.9	Very low	63.3	Low	223 Å²	223	80.9 Å²	80.9	98%	0.978	41%	0.412	S	S	*	.	S	Bend	trans	69.1	16.8	178.1	-67.6	-86	0	0	0	116.4
192	T	48.9	Very low	63.8	Low	63 Å²	63	79.9 Å²	79.9	39%	0.387	41%	0.413	S	S	.	.			trans	-104.8	3.9	-152.2	40.6	0	0	0	0	118.8	I187 E189 L190 A194	I187-T192 VanDerWaalsContact CG2-CB 3.41Å; I187-T192 HydrophobicContact CG2-CG2 3.79Å; I187-T192 WeakPolarHBondContact CG2-OG1 3.42Å; I187-T192 CarbonylContact O-C 3.55Å; I187-T192 VanDerWaalsContact O-CB 3.23Å; I187-T192 WeakPolarHBondContact O-CB 3.34Å; I187-T192 PolarHBondContact O-OG1 2.96Å; E189-T192 PolarHBondContact N-OG1 3.31Å; E189-T192 PolarHBondContact O-OG1 3.11Å; E189-T192 VanDerWaalsContact O-OG1 3.08Å; L190-T192 VanDerWaalsContact C-N 3.35Å; L190-T192 VanDerWaalsContact O-CG2 3.25Å; L190-T192 WeakPolarHBondContact O-CG2 3.21Å; L190-T192 PolarHBondContact O-N 3.19Å; T192-A194 PolarHBondContact O-N 3.27Å
193	D	43.3	Very low	64.4	Low	96 Å²	96	79.7 Å²	79.7	51%	0.513	42%	0.415	S	S	.	.	S	Bend	trans	-96.2	29.6	-175.1	-93.4	-20.3	0	0	0	115.3	I187	I187-D193 VanDerWaalsContact C-OD1 3.28Å
194	A	38.5	Very low	65.8	Low	37 Å²	37	83 Å²	83	31%	0.306	44%	0.438	S	S	.	.			trans	-153.3	110.6	170.8	0	0	0	0	0	113.9	K25 T192	K25-A194 HydrophobicContact CD-CB 3.78Å; K25-A194 VanDerWaalsContact CE-CB 3.47Å; K25-A194 HydrophobicContact CG-CB 4.42Å; K25-A194 VanDerWaalsContact NZ-CB 3.33Å; T192-A194 PolarHBondContact O-N 3.27Å
195	D	55	Low	67.6	Low	52 Å²	52	80.9 Å²	80.9	28%	0.278	42%	0.421	S	S	.	.			trans	-149.8	119.4	146.2	-82.4	-36.9	0	0	0	107.7	L23 K182	L23-D195 WeakPolarHBondContact CB-OD1 3.39Å; K182-D195 HydrophobicContact CB-CB 4.13Å; K182-D195 HydrophobicContact CG-CB 3.92Å
196	N	74.1	Confident	69.8	Low	45 Å²	45	79.5 Å²	79.5	24%	0.241	41%	0.414	C	S	.	.	S	Bend	trans	-83.1	-36.8	170.7	-78.6	-11.3	0	0	0	110	V24 Q26 R181	V24-N196 PolarHBondContact O-N 3.17Å; V24-N196 VanDerWaalsContact O-N 3.16Å; Q26-N196 WeakPolarHBondContact CB-ND2 3.47Å; Q26-N196 PolarHBondContact N-ND2 2.96Å; R181-N196 WeakPolarHBondContact CG-O 3.34Å
197	F	90.4	Very high	72.3	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.009	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	141.7	169.8	-65.1	-94.8	0	0	0	111	L23 V24 I179 T180 R181 V217 I220 D221 F225	L23-F197 CarbonylContact C-O 3.53Å; V24-F197 HydrophobicContact CB-CB 4.32Å; V24-F197 PolarHBondContact N-O 3.45Å; V24-F197 PolarHBondContact O-N 2.97Å; I179-F197 HydrophobicContact CG2-CD1 4.28Å; T180-F197 CarbonylContact O-C 3.58Å; T180-F197 VanDerWaalsContact O-CA 3.3Å; T180-F197 WeakPolarHBondContact O-CA 3.46Å; R181-F197 HydrophobicContact CB-CD1 3.86Å; R181-F197 HydrophobicContact CB-CE1 3.59Å; R181-F197 HydrophobicContact CB-CZ 4.18Å; R181-F197 HydrophobicContact CG-CD1 4.38Å; R181-F197 HydrophobicContact CG-CE1 3.9Å; R181-F197 HydrophobicContact CG-CZ 3.94Å; F197-V217 HydrophobicContact CB-CG1 3.33Å; F197-V217 HydrophobicContact CD1-CG1 4.11Å; F197-V217 HydrophobicContact CD2-CG1 4.13Å; F197-V217 HydrophobicContact CG-CG1 3.59Å; F197-I220 HydrophobicContact CE1-CG2 4.29Å; F197-D221 HydrophobicContact CD2-CB 4.28Å; F197-D221 HydrophobicContact CE2-CB 3.57Å; F197-D221 WeakPolarHBondContact CE2-OD1 3.45Å; F197-D221 HydrophobicContact CZ-CB 3.75Å; F197-D221 WeakPolarHBondContact CZ-OD1 3.47Å; F197-F225 AromaticContact CE1-CD2 3.73Å; F197-F225 HydrophobicContact CE1-CD2 3.73Å; F197-F225 AromaticContact CE1-CE2 3.56Å; F197-F225 HydrophobicContact CE1-CE2 3.56Å; F197-F225 AromaticContact CZ-CD2 3.37Å; F197-F225 HydrophobicContact CZ-CD2 3.37Å; F197-F225 AromaticContact CZ-CE2 3.72Å; F197-F225 HydrophobicContact CZ-CE2 3.72Å; F197-F225 HydrophobicContact CZ-CG 4.21Å
198	G	93	Very high	75	Confident	10 Å²	10	73.2 Å²	73.2	10%	0.103	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.6	162.5	0	0	0	0	0	110.1	L22 I179 T180	L22-G198 WeakPolarHBondContact O-CA 3.49Å; I179-G198 CarbonylContact C-O 3.59Å; I179-G198 VanDerWaalsContact CA-O 3.28Å; I179-G198 WeakPolarHBondContact CA-O 3.4Å; T180-G198 PolarHBondContact N-O 2.05Å; T180-G198 PolarHBondContact O-N 3.26Å
199	V	96.7	Very high	77.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.3	168.2	57.5	0	0	0	0	109.4	Q21 L22 R178 I179 F201 L213 V217	Q21-V199 CarbonylContact C-O 3.57Å; Q21-V199 VanDerWaalsContact CA-O 3.26Å; Q21-V199 WeakPolarHBondContact CA-O 3.35Å; Q21-V199 WeakPolarHBondContact CG-O 3.26Å; L22-V199 HydrophobicContact CB-CG1 3.85Å; L22-V199 PolarHBondContact N-O 2.89Å; L22-V199 PolarHBondContact O-N 2.69Å; R178-V199 CarbonylContact O-C 3.59Å; R178-V199 WeakPolarHBondContact O-CA 3.2Å; I179-V199 HydrophobicContact CG1-CB 4.15Å; I179-V199 HydrophobicContact CG1-CG2 3.82Å; V199-F201 HydrophobicContact CG1-CE1 4.38Å; V199-F201 HydrophobicContact CG2-CD1 4.05Å; V199-F201 HydrophobicContact CG2-CE1 4.21Å; V199-L213 HydrophobicContact CG2-CB 4.26Å; V199-V217 HydrophobicContact CB-CG2 3.78Å; V199-V217 HydrophobicContact CG1-CG2 4.01Å; V199-V217 HydrophobicContact CG2-CG2 4.34Å
200	S	97.2	Very high	80.5	Confident	38 Å²	38	57.7 Å²	57.7	27%	0.266	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.4	175.7	65.1	0	0	0	0	111.9	D20 G177 R178	D20-S200 CarbonylContact O-C 3.45Å; D20-S200 VanDerWaalsContact O-CA 3.27Å; D20-S200 WeakPolarHBondContact O-CA 3.42Å; G177-S200 VanDerWaalsContact CA-O 3.25Å; G177-S200 WeakPolarHBondContact CA-O 2.99Å; R178-S200 PolarHBondContact N-O 2.81Å; R178-S200 PolarHBondContact N-OG 3.29Å; R178-S200 PolarHBondContact O-N 2.88Å
201	F	97.4	Very high	83.3	Confident	7 Å²	7	50.5 Å²	50.5	3%	0.031	27%	0.269	C	S	.	.			trans	-157.8	163.9	-179.5	38.8	-110.3	0	0	0	110	I19 D20 V199 L205 K210 L213	I19-F201 WeakPolarHBondContact O-CE2 3.31Å; D20-F201 WeakPolarHBondContact CA-O 3.18Å; D20-F201 VanDerWaalsContact CB-O 3.26Å; D20-F201 WeakPolarHBondContact CB-O 3.48Å; D20-F201 WeakPolarHBondContact O-CD2 3.37Å; D20-F201 PolarHBondContact O-N 2.84Å; V199-F201 HydrophobicContact CG1-CE1 4.38Å; V199-F201 HydrophobicContact CG2-CD1 4.05Å; V199-F201 HydrophobicContact CG2-CE1 4.21Å; F201-L205 HydrophobicContact CB-CD2 3.62Å; F201-L205 HydrophobicContact CG-CD2 4.2Å; F201-K210 HydrophobicContact CD1-CB 4.48Å; F201-K210 HydrophobicContact CD1-CG 4.23Å; F201-K210 HydrophobicContact CD2-CD 3.65Å; F201-K210 VanDerWaalsContact CD2-CE 3.42Å; F201-K210 HydrophobicContact CD2-CG 3.68Å; F201-K210 HydrophobicContact CE1-CB 4.1Å; F201-K210 HydrophobicContact CE1-CG 4.19Å; F201-K210 HydrophobicContact CE2-CB 4.23Å; F201-K210 HydrophobicContact CE2-CD 3.33Å; F201-K210 HydrophobicContact CE2-CG 3.64Å; F201-K210 HydrophobicContact CG-CD 4.46Å; F201-K210 HydrophobicContact CG-CG 3.99Å; F201-K210 HydrophobicContact CZ-CB 3.97Å; F201-K210 HydrophobicContact CZ-CD 3.9Å; F201-K210 HydrophobicContact CZ-CG 3.9Å; F201-L213 HydrophobicContact CB-CD1 4.14Å; F201-L213 HydrophobicContact CD1-CD1 4.01Å; F201-L213 HydrophobicContact CG-CD1 4.49Å
202	P	97	Very high	85.7	Confident	39 Å²	39	39.9 Å²	39.9	25%	0.253	22%	0.223	S	C	.	.			trans	-62.1	148	176	-22.8	36	0	0	0	112.4	I176 D204 L205 K210	I176-P202 HydrophobicContact CB-CG 3.93Å; I176-P202 HydrophobicContact CD1-CG 4.4Å; I176-P202 VanDerWaalsContact O-CD 3.23Å; I176-P202 WeakPolarHBondContact O-CD 3.47Å; P202-D204 WeakPolarHBondContact CB-OD1 3.25Å; P202-D204 PolarHBondContact O-N 3.5Å; P202-L205 HydrophobicContact CB-CB 4.5Å; P202-L205 WeakPolarHBondContact O-CB 3.43Å; P202-L205 PolarHBondContact O-N 3.39Å; P202-K210 VanDerWaalsContact O-CE 3.25Å; P202-K210 WeakPolarHBondContact O-CE 3.36Å; P202-K210 PolarHBondContact O-NZ 2.95Å
203	M	94.9	Very high	88.1	Confident	89 Å²	89	36.9 Å²	36.9	44%	0.438	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.3	176.9	-81.6	-64	-64.7	0	0	112.6	D20 K210	D20-M203 HydrophobicContact CB-CG 3.97Å; D20-M203 HydrophobicContact CB-SD 3.72Å; D20-M203 PolarHBondContact N-SD 3.22Å; M203-K210 PolarHBondContact O-NZ 2.88Å
204	D	94.4	Very high	90.7	Very high	146 Å²	146	32.3 Å²	32.3	78%	0.781	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	2.9	-176.3	64	-29.9	0	0	0	114.3	P202 D206	P202-D204 WeakPolarHBondContact CB-OD1 3.25Å; P202-D204 PolarHBondContact O-N 3.5Å; D204-D206 PolarHBondContact O-N 3.41Å
205	L	96.6	Very high	93.5	Very high	27 Å²	27	30.5 Å²	30.5	14%	0.141	17%	0.165	C	C	.	.	S	Bend	trans	-59.7	139.5	172.6	-176.6	66.5	0	0	0	110.5	L146 I176 F201 P202 V207 M209 K210 L213	L146-L205 HydrophobicContact CD1-CD1 4.37Å; L146-L205 HydrophobicContact CD1-CD2 4.16Å; L146-L205 HydrophobicContact CD2-CD1 4.5Å; I176-L205 HydrophobicContact CD1-CD1 4.28Å; I176-L205 HydrophobicContact CD1-CD2 4.45Å; F201-L205 HydrophobicContact CB-CD2 3.62Å; F201-L205 HydrophobicContact CG-CD2 4.2Å; P202-L205 HydrophobicContact CB-CB 4.5Å; P202-L205 WeakPolarHBondContact O-CB 3.43Å; P202-L205 PolarHBondContact O-N 3.39Å; L205-V207 PolarHBondContact O-N 2.83Å; L205-M209 HydrophobicContact CD1-CB 4.24Å; L205-M209 HydrophobicContact CD2-CB 4.25Å; L205-M209 HydrophobicContact CG-CB 4.13Å; L205-K210 HydrophobicContact CB-CG 4.21Å; L205-K210 HydrophobicContact CD2-CG 4.03Å; L205-K210 HydrophobicContact CG-CG 4.23Å; L205-K210 VanDerWaalsContact O-CE 3.23Å; L205-K210 WeakPolarHBondContact O-CE 3.42Å; L205-L213 HydrophobicContact CD2-CD1 3.73Å
206	D	95.7	Very high	95.5	Very high	88 Å²	88	28 Å²	28	47%	0.471	15%	0.152	S	C	.	.			trans	-49.5	127	176.1	-172.7	-39.5	0	0	0	110.5	D204 K208 M209 K210	D204-D206 PolarHBondContact O-N 3.41Å; D206-K208 PolarHBondContact O-N 3.03Å; D206-K208 VanDerWaalsContact O-N 3.15Å; D206-K208 WeakPolarHBondContact OD1-CB 3.47Å; D206-K208 PolarHBondContact OD1-N 3.33Å; D206-M209 HydrophobicContact CB-CB 4.38Å; D206-M209 HydrophobicContact CB-CG 4.11Å; D206-M209 WeakPolarHBondContact O-CA 3.31Å; D206-M209 WeakPolarHBondContact O-CB 3.29Å; D206-M209 PolarHBondContact O-N 2.85Å; D206-K210 PolarHBondContact O-N 3.08Å
207	V	96.4	Very high	96.6	Very high	19 Å²	19	26 Å²	26	12%	0.115	14%	0.141	C	C	.	.	H	α-helix	trans	-55.2	-31.7	-179.3	-66.7	0	0	0	0	113.3	L16 T17 L205 M209 K210 A211	L16-V207 HydrophobicContact CB-CG1 4.49Å; T17-V207 HydrophobicContact CG2-CG1 3.37Å; L205-V207 PolarHBondContact O-N 2.83Å; V207-M209 VanDerWaalsContact C-N 3.35Å; V207-K210 PolarHBondContact O-N 2.73Å; V207-A211 PolarHBondContact O-N 2.8Å
208	K	97.6	Very high	96.7	Very high	72 Å²	72	25.9 Å²	25.9	31%	0.313	14%	0.141	S	C	.	.	H	α-helix	trans	-65.5	-42.2	174.1	-66.5	178.3	-178.2	177.8	0	110	P10 I121 D206 A211 V212	P10-K208 HydrophobicContact CG-CG 4.21Å; I121-K208 HydrophobicContact CB-CB 4.23Å; I121-K208 HydrophobicContact CB-CD 4.14Å; I121-K208 HydrophobicContact CB-CG 4.16Å; I121-K208 HydrophobicContact CD1-CB 4.13Å; I121-K208 HydrophobicContact CD1-CG 4.39Å; I121-K208 HydrophobicContact CG2-CD 4.09Å; I121-K208 HydrophobicContact CG2-CG 4.19Å; D206-K208 PolarHBondContact O-N 3.03Å; D206-K208 VanDerWaalsContact O-N 3.15Å; D206-K208 WeakPolarHBondContact OD1-CB 3.47Å; D206-K208 PolarHBondContact OD1-N 3.33Å; K208-A211 WeakPolarHBondContact O-CB 3Å; K208-A211 PolarHBondContact O-N 2.76Å; K208-V212 VanDerWaalsContact O-CG2 3.28Å; K208-V212 WeakPolarHBondContact O-CG2 3.33Å; K208-V212 PolarHBondContact O-N 3.19Å
209	M	98.1	Very high	96.6	Very high	7 Å²	7	25.4 Å²	25.4	3%	0.034	14%	0.136	C	C	.	.	H	α-helix	trans	-71.1	-33.4	178.5	-61.8	-59.9	96.2	0	0	112	I137 D139 V145 L146 L205 D206 V207 A211 V212 L213	I137-M209 HydrophobicContact CG2-SD 3.95Å; D139-M209 HydrophobicContact CB-CE 4.34Å; V145-M209 HydrophobicContact CB-CG 4.48Å; V145-M209 HydrophobicContact CB-SD 3.88Å; V145-M209 HydrophobicContact CG1-CG 4.05Å; V145-M209 HydrophobicContact CG1-SD 4.11Å; V145-M209 HydrophobicContact CG2-SD 3.9Å; L146-M209 HydrophobicContact CD1-CB 4.5Å; L205-M209 HydrophobicContact CD1-CB 4.24Å; L205-M209 HydrophobicContact CD2-CB 4.25Å; L205-M209 HydrophobicContact CG-CB 4.13Å; D206-M209 HydrophobicContact CB-CB 4.38Å; D206-M209 HydrophobicContact CB-CG 4.11Å; D206-M209 WeakPolarHBondContact O-CA 3.31Å; D206-M209 WeakPolarHBondContact O-CB 3.29Å; D206-M209 PolarHBondContact O-N 2.85Å; V207-M209 VanDerWaalsContact C-N 3.35Å; M209-A211 VanDerWaalsContact C-N 3.32Å; M209-A211 PolarHBondContact O-N 3.19Å; M209-V212 HydrophobicContact CE-CG2 3.96Å; M209-V212 PolarHBondContact O-N 2.77Å; M209-L213 WeakPolarHBondContact O-CB 3.3Å; M209-L213 WeakPolarHBondContact O-CG 3.24Å; M209-L213 PolarHBondContact O-N 3.03Å
210	K	98.2	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-43.3	168.4	-64.6	-177.1	176.4	-169.1	0	111.7	L16 I19 F201 P202 M203 L205 D206 V207 L213 L214	L16-K210 HydrophobicContact CB-CB 4.37Å; L16-K210 HydrophobicContact CB-CD 4.09Å; L16-K210 HydrophobicContact CD1-CB 4.06Å; L16-K210 VanDerWaalsContact O-CD 3.25Å; L16-K210 WeakPolarHBondContact O-CD 3.45Å; L16-K210 PolarHBondContact O-NZ 3.25Å; I19-K210 PolarHBondContact O-NZ 3.29Å; F201-K210 HydrophobicContact CD1-CB 4.48Å; F201-K210 HydrophobicContact CD1-CG 4.23Å; F201-K210 HydrophobicContact CD2-CD 3.65Å; F201-K210 VanDerWaalsContact CD2-CE 3.42Å; F201-K210 HydrophobicContact CD2-CG 3.68Å; F201-K210 HydrophobicContact CE1-CB 4.1Å; F201-K210 HydrophobicContact CE1-CG 4.19Å; F201-K210 HydrophobicContact CE2-CB 4.23Å; F201-K210 HydrophobicContact CE2-CD 3.33Å; F201-K210 HydrophobicContact CE2-CG 3.64Å; F201-K210 HydrophobicContact CG-CD 4.46Å; F201-K210 HydrophobicContact CG-CG 3.99Å; F201-K210 HydrophobicContact CZ-CB 3.97Å; F201-K210 HydrophobicContact CZ-CD 3.9Å; F201-K210 HydrophobicContact CZ-CG 3.9Å; P202-K210 VanDerWaalsContact O-CE 3.25Å; P202-K210 WeakPolarHBondContact O-CE 3.36Å; P202-K210 PolarHBondContact O-NZ 2.95Å; M203-K210 PolarHBondContact O-NZ 2.88Å; L205-K210 HydrophobicContact CB-CG 4.21Å; L205-K210 HydrophobicContact CD2-CG 4.03Å; L205-K210 HydrophobicContact CG-CG 4.23Å; L205-K210 VanDerWaalsContact O-CE 3.23Å; L205-K210 WeakPolarHBondContact O-CE 3.42Å; D206-K210 PolarHBondContact O-N 3.08Å; V207-K210 PolarHBondContact O-N 2.73Å; K210-L213 PolarHBondContact O-N 2.69Å; K210-L214 WeakPolarHBondContact O-CB 3.15Å; K210-L214 PolarHBondContact O-N 2.76Å
211	A	98.3	Very high	95.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.4	-40.5	176.1	0	0	0	0	0	112.6	L13 L16 I87 I121 V207 K208 M209 L214 A215	L13-A211 HydrophobicContact CD1-CB 4.09Å; L13-A211 HydrophobicContact CD2-CB 4.36Å; L16-A211 HydrophobicContact CD1-CB 4.1Å; I87-A211 HydrophobicContact CD1-CB 3.62Å; I87-A211 HydrophobicContact CG1-CB 4.17Å; I121-A211 HydrophobicContact CD1-CB 3.87Å; V207-A211 PolarHBondContact O-N 2.8Å; K208-A211 WeakPolarHBondContact O-CB 3Å; K208-A211 PolarHBondContact O-N 2.76Å; M209-A211 VanDerWaalsContact C-N 3.32Å; M209-A211 PolarHBondContact O-N 3.19Å; A211-L214 PolarHBondContact O-N 2.9Å; A211-A215 PolarHBondContact O-N 3.19Å
212	V	98.6	Very high	94.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68	-40	176.6	-178.1	0	0	0	0	111.4	V113 I121 V124 I137 K208 M209 A215 A216	V113-V212 HydrophobicContact CB-CG2 4Å; V113-V212 HydrophobicContact CG1-CG2 4.18Å; V113-V212 HydrophobicContact CG2-CB 4.44Å; V113-V212 HydrophobicContact CG2-CG1 4.12Å; V113-V212 HydrophobicContact CG2-CG2 4.22Å; I121-V212 HydrophobicContact CD1-CG2 4.33Å; I121-V212 HydrophobicContact CG1-CG2 4.37Å; V124-V212 HydrophobicContact CG2-CG1 3.7Å; I137-V212 HydrophobicContact CD1-CG1 4.28Å; I137-V212 HydrophobicContact CG2-CB 4.16Å; I137-V212 HydrophobicContact CG2-CG1 3.71Å; K208-V212 VanDerWaalsContact O-CG2 3.28Å; K208-V212 WeakPolarHBondContact O-CG2 3.33Å; K208-V212 PolarHBondContact O-N 3.19Å; M209-V212 HydrophobicContact CE-CG2 3.96Å; M209-V212 PolarHBondContact O-N 2.77Å; V212-A215 WeakPolarHBondContact O-CB 3.38Å; V212-A215 PolarHBondContact O-N 3.41Å; V212-A216 PolarHBondContact O-N 2.87Å
213	L	98.5	Very high	94	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.2	-41.3	172.6	-77.3	174.6	0	0	0	112.1	I137 L146 I148 V167 V199 F201 L205 M209 K210 A215 A216 V217	I137-L213 HydrophobicContact CD1-CD2 4.26Å; I137-L213 HydrophobicContact CG1-CD2 3.9Å; L146-L213 HydrophobicContact CD1-CD1 3.79Å; L146-L213 HydrophobicContact CD1-CD2 4.21Å; L146-L213 HydrophobicContact CD1-CG 4.08Å; I148-L213 HydrophobicContact CD1-CD2 4.14Å; I148-L213 HydrophobicContact CG1-CD2 4.44Å; V167-L213 HydrophobicContact CG1-CD1 4.34Å; V167-L213 HydrophobicContact CG1-CD2 3.93Å; V167-L213 HydrophobicContact CG2-CD2 4.12Å; V199-L213 HydrophobicContact CG2-CB 4.26Å; F201-L213 HydrophobicContact CB-CD1 4.14Å; F201-L213 HydrophobicContact CD1-CD1 4.01Å; F201-L213 HydrophobicContact CG-CD1 4.49Å; L205-L213 HydrophobicContact CD2-CD1 3.73Å; M209-L213 WeakPolarHBondContact O-CB 3.3Å; M209-L213 WeakPolarHBondContact O-CG 3.24Å; M209-L213 PolarHBondContact O-N 3.03Å; K210-L213 PolarHBondContact O-N 2.69Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 2.98Å; L213-A216 WeakPolarHBondContact O-CB 3.32Å; L213-A216 PolarHBondContact O-N 2.82Å; L213-A216 VanDerWaalsContact O-N 3.16Å; L213-V217 PolarHBondContact O-N 3.25Å
214	L	98.1	Very high	93	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.3	-43.8	173	176.2	61.4	0	0	0	111.1	L22 V24 Y54 I78 I87 K210 A211 A216 V217 F218	L22-L214 HydrophobicContact CD1-CD1 4.02Å; L22-L214 HydrophobicContact CD1-CD2 3.95Å; L22-L214 HydrophobicContact CD1-CG 4.43Å; V24-L214 HydrophobicContact CG2-CD1 3.92Å; Y54-L214 HydrophobicContact CD2-CD2 3.95Å; Y54-L214 HydrophobicContact CE2-CD2 4.22Å; I78-L214 HydrophobicContact CD1-CD2 4.25Å; I78-L214 HydrophobicContact CD1-CG 4.43Å; I87-L214 HydrophobicContact CD1-CD2 4.43Å; K210-L214 WeakPolarHBondContact O-CB 3.15Å; K210-L214 PolarHBondContact O-N 2.76Å; A211-L214 PolarHBondContact O-N 2.9Å; L214-A216 VanDerWaalsContact C-N 3.29Å; L214-A216 PolarHBondContact O-N 3.07Å; L214-V217 WeakPolarHBondContact O-CB 3.47Å; L214-V217 PolarHBondContact O-N 3.37Å; L214-F218 HydrophobicContact CD1-CE2 3.92Å; L214-F218 HydrophobicContact CG-CE2 4.09Å; L214-F218 WeakPolarHBondContact O-CD2 3.3Å
215	A	97.8	Very high	92.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.1	-35.3	175.6	0	0	0	0	0	112.5	A89 L111 V113 A211 V212 L213 V217 F218 L219	A89-A215 HydrophobicContact CB-CB 4.12Å; L111-A215 HydrophobicContact CD2-CB 3.78Å; L111-A215 WeakPolarHBondContact CD2-O 3.26Å; V113-A215 HydrophobicContact CG1-CB 4.22Å; V113-A215 HydrophobicContact CG2-CB 3.57Å; A211-A215 PolarHBondContact O-N 3.19Å; V212-A215 WeakPolarHBondContact O-CB 3.38Å; V212-A215 PolarHBondContact O-N 3.41Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 2.98Å; A215-V217 VanDerWaalsContact C-N 3.27Å; A215-V217 PolarHBondContact O-N 3.34Å; A215-F218 PolarHBondContact O-N 3.37Å; A215-L219 PolarHBondContact O-N 3.48Å
216	A	97.3	Very high	90.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.4	-34.6	176.4	0	0	0	0	0	112.6	V124 I137 I148 I179 V212 L213 L214 F218 L219 I220	V124-A216 HydrophobicContact CB-CB 4.39Å; V124-A216 HydrophobicContact CG1-CB 3.74Å; V124-A216 HydrophobicContact CG2-CB 3.73Å; I137-A216 HydrophobicContact CD1-CB 4.22Å; I148-A216 HydrophobicContact CD1-CB 3.82Å; I179-A216 HydrophobicContact CD1-CB 4.24Å; V212-A216 PolarHBondContact O-N 2.87Å; L213-A216 WeakPolarHBondContact O-CB 3.32Å; L213-A216 PolarHBondContact O-N 2.82Å; L213-A216 VanDerWaalsContact O-N 3.16Å; L214-A216 VanDerWaalsContact C-N 3.29Å; L214-A216 PolarHBondContact O-N 3.07Å; A216-F218 VanDerWaalsContact C-N 3.3Å; A216-F218 PolarHBondContact O-N 3.35Å; A216-L219 PolarHBondContact O-N 2.87Å; A216-I220 WeakPolarHBondContact O-CG1 3.5Å; A216-I220 PolarHBondContact O-N 3.06Å
217	V	95.5	Very high	88.6	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-54.9	-47.9	174.6	178.7	0	0	0	0	110.9	V24 I179 F197 V199 L213 L214 A215 I220 D221	V24-V217 HydrophobicContact CB-CG1 4.29Å; V24-V217 HydrophobicContact CG2-CG1 4.03Å; I179-V217 HydrophobicContact CD1-CG2 4.09Å; I179-V217 HydrophobicContact CG1-CG2 4.16Å; I179-V217 HydrophobicContact CG2-CG2 4.03Å; F197-V217 HydrophobicContact CB-CG1 3.33Å; F197-V217 HydrophobicContact CD1-CG1 4.11Å; F197-V217 HydrophobicContact CD2-CG1 4.13Å; F197-V217 HydrophobicContact CG-CG1 3.59Å; V199-V217 HydrophobicContact CB-CG2 3.78Å; V199-V217 HydrophobicContact CG1-CG2 4.01Å; V199-V217 HydrophobicContact CG2-CG2 4.34Å; L213-V217 PolarHBondContact O-N 3.25Å; L214-V217 WeakPolarHBondContact O-CB 3.47Å; L214-V217 PolarHBondContact O-N 3.37Å; A215-V217 VanDerWaalsContact C-N 3.27Å; A215-V217 PolarHBondContact O-N 3.34Å; V217-I220 PolarHBondContact O-N 2.91Å; V217-D221 PolarHBondContact O-N 3.14Å
218	F	92.7	Very high	86.2	Confident	1 Å²	1	27.6 Å²	27.6	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-68.6	-38.7	-179.7	-62.7	-79.6	0	0	0	112.4	V24 Y43 C56 L76 I78 L214 A215 A216 I220 D221 F222	V24-F218 HydrophobicContact CG1-CE1 3.67Å; V24-F218 HydrophobicContact CG1-CZ 3.7Å; Y43-F218 HydrophobicContact CD1-CE1 4.02Å; Y43-F218 AromaticContact CD2-CD1 3.97Å; Y43-F218 HydrophobicContact CD2-CD1 3.97Å; Y43-F218 AromaticContact CD2-CE1 3.62Å; Y43-F218 HydrophobicContact CD2-CE1 3.62Å; Y43-F218 HydrophobicContact CE2-CD1 4.06Å; Y43-F218 HydrophobicContact CE2-CE1 4.17Å; Y43-F218 HydrophobicContact CG-CD1 4.23Å; Y43-F218 AromaticContact CG-CE1 3.56Å; Y43-F218 HydrophobicContact CG-CE1 3.56Å; C56-F218 HydrophobicContact CB-CE1 4.1Å; C56-F218 HydrophobicContact CB-CZ 3.89Å; C56-F218 VanDerWaalsContact SG-CZ 3.57Å; L76-F218 HydrophobicContact CD1-CD1 4.19Å; L76-F218 HydrophobicContact CD1-CG 4.34Å; L76-F218 HydrophobicContact CD2-CB 3.68Å; L76-F218 HydrophobicContact CD2-CD1 4.02Å; L76-F218 HydrophobicContact CD2-CD2 3.33Å; L76-F218 HydrophobicContact CD2-CE2 3.93Å; L76-F218 HydrophobicContact CD2-CG 3.39Å; I78-F218 HydrophobicContact CD1-CE2 4.19Å; L214-F218 HydrophobicContact CD1-CE2 3.92Å; L214-F218 HydrophobicContact CG-CE2 4.09Å; L214-F218 WeakPolarHBondContact O-CD2 3.3Å; A215-F218 PolarHBondContact O-N 3.37Å; A216-F218 VanDerWaalsContact C-N 3.3Å; A216-F218 PolarHBondContact O-N 3.35Å; F218-I220 VanDerWaalsContact C-N 3.31Å; F218-I220 PolarHBondContact O-N 3.28Å; F218-D221 PolarHBondContact O-N 3.34Å; F218-F222 HydrophobicContact CB-CD2 4.39Å; F218-F222 HydrophobicContact CB-CE2 4.05Å; F218-F222 WeakPolarHBondContact O-CB 3.45Å; F218-F222 WeakPolarHBondContact O-CD2 3.38Å; F218-F222 VanDerWaalsContact O-CG 3.29Å; F218-F222 WeakPolarHBondContact O-CG 3.42Å; F218-F222 PolarHBondContact O-N 2.7Å
219	L	90.7	Very high	83.4	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-43.4	175	-175.5	62.6	0	0	0	111.5	F74 E109 L111 V124 Y135 A215 A216 K223	F74-L219 HydrophobicContact CZ-CD1 4.29Å; E109-L219 HydrophobicContact CB-CD2 4.5Å; L111-L219 HydrophobicContact CB-CD2 4.12Å; L111-L219 HydrophobicContact CD2-CB 4.21Å; V124-L219 HydrophobicContact CB-CD2 4.11Å; V124-L219 HydrophobicContact CG1-CD2 3.78Å; Y135-L219 HydrophobicContact CD1-CD2 4.27Å; Y135-L219 HydrophobicContact CE1-CD2 3.93Å; Y135-L219 HydrophobicContact CE1-CG 4.48Å; A215-L219 PolarHBondContact O-N 3.48Å; A216-L219 PolarHBondContact O-N 2.87Å; L219-K223 HydrophobicContact CD1-CG 4.19Å; L219-K223 VanDerWaalsContact O-CB 3.27Å; L219-K223 WeakPolarHBondContact O-CB 3.32Å; L219-K223 WeakPolarHBondContact O-CG 3.38Å; L219-K223 PolarHBondContact O-N 2.77Å; L219-K223 VanDerWaalsContact O-N 3.14Å
220	I	89.8	Confident	80	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-46.3	177.2	-70.4	166.2	0	0	0	110.3	Y135 F165 I179 F197 A216 V217 F218 K223 Y224 F225	Y135-I220 HydrophobicContact CE2-CG1 4.06Å; F165-I220 HydrophobicContact CD1-CD1 4.02Å; F165-I220 HydrophobicContact CD2-CG2 4.47Å; F165-I220 HydrophobicContact CE1-CD1 4.16Å; F165-I220 HydrophobicContact CE1-CG1 4.41Å; F165-I220 HydrophobicContact CE1-CG2 4.19Å; F165-I220 HydrophobicContact CE2-CG2 3.72Å; F165-I220 HydrophobicContact CG-CD1 4.21Å; F165-I220 HydrophobicContact CZ-CD1 4.49Å; F165-I220 HydrophobicContact CZ-CG2 3.56Å; I179-I220 HydrophobicContact CD1-CD1 3.94Å; F197-I220 HydrophobicContact CE1-CG2 4.29Å; A216-I220 WeakPolarHBondContact O-CG1 3.5Å; A216-I220 PolarHBondContact O-N 3.06Å; V217-I220 PolarHBondContact O-N 2.91Å; F218-I220 VanDerWaalsContact C-N 3.31Å; F218-I220 PolarHBondContact O-N 3.28Å; I220-K223 PolarHBondContact O-N 3.46Å; I220-Y224 WeakPolarHBondContact O-CB 3.08Å; I220-Y224 PolarHBondContact O-N 2.54Å; I220-F225 HydrophobicContact CG2-CD2 4.26Å; I220-F225 HydrophobicContact CG2-CE2 3.83Å
221	D	86	Confident	76.8	Confident	12 Å²	12	50 Å²	50	6%	0.064	23%	0.23	C	C	.	.	I	π-helix	trans	-57.2	-57	177.5	-171.4	35.4	0	0	0	112.2	Y43 F197 V217 F218 K223 F225 E226	Y43-D221 VanDerWaalsContact CE1-OD2 3.23Å; Y43-D221 WeakPolarHBondContact CE1-OD2 3.36Å; Y43-D221 VanDerWaalsContact CZ-OD2 3.29Å; Y43-D221 PolarHBondContact OH-OD2 3.17Å; F197-D221 HydrophobicContact CD2-CB 4.28Å; F197-D221 HydrophobicContact CE2-CB 3.57Å; F197-D221 WeakPolarHBondContact CE2-OD1 3.45Å; F197-D221 HydrophobicContact CZ-CB 3.75Å; F197-D221 WeakPolarHBondContact CZ-OD1 3.47Å; V217-D221 PolarHBondContact O-N 3.14Å; F218-D221 PolarHBondContact O-N 3.34Å; D221-K223 PolarHBondContact O-N 3.05Å; D221-F225 WeakPolarHBondContact O-CA 3Å; D221-F225 PolarHBondContact O-N 2.96Å; D221-E226 PolarHBondContact O-N 3.17Å
222	F	80.9	Confident	75.7	Confident	7 Å²	7	52.5 Å²	52.5	3%	0.031	24%	0.241	C	C	.	.	I	π-helix	trans	-60.5	-31.8	-178.5	-65.8	-38.8	0	0	0	113.5	N41 Y43 E58 F74 L76 F218	N41-F222 HydrophobicContact CB-CE1 3.77Å; N41-F222 HydrophobicContact CB-CZ 4.31Å; Y43-F222 AromaticContact CE2-CE1 3.94Å; Y43-F222 HydrophobicContact CE2-CE1 3.94Å; Y43-F222 AromaticContact CE2-CZ 3.98Å; Y43-F222 HydrophobicContact CE2-CZ 3.98Å; Y43-F222 AromaticContact CZ-CE1 3.99Å; Y43-F222 WeakPolarHBondContact OH-CE1 3.45Å; E58-F222 HydrophobicContact CB-CZ 4.01Å; E58-F222 HydrophobicContact CG-CE2 4.33Å; E58-F222 HydrophobicContact CG-CZ 3.96Å; F74-F222 HydrophobicContact CD1-CD2 4.2Å; F74-F222 HydrophobicContact CD2-CD2 4.45Å; F74-F222 HydrophobicContact CD2-CE2 4.21Å; F74-F222 HydrophobicContact CE1-CB 4.35Å; F74-F222 AromaticContact CE1-CD2 3.58Å; F74-F222 HydrophobicContact CE1-CD2 3.58Å; F74-F222 HydrophobicContact CE1-CE2 4.26Å; F74-F222 HydrophobicContact CE1-CG 4.31Å; F74-F222 AromaticContact CE2-CD2 3.93Å; F74-F222 HydrophobicContact CE2-CD2 3.93Å; F74-F222 AromaticContact CE2-CE2 3.89Å; F74-F222 HydrophobicContact CE2-CE2 3.89Å; F74-F222 AromaticContact CZ-CD2 3.46Å; F74-F222 HydrophobicContact CZ-CD2 3.46Å; F74-F222 VanDerWaalsContact CZ-CD2 3.46Å; F74-F222 AromaticContact CZ-CE2 3.93Å; F74-F222 HydrophobicContact CZ-CE2 3.93Å; L76-F222 HydrophobicContact CD1-CE2 4.35Å; L76-F222 HydrophobicContact CD1-CZ 4.31Å; F218-F222 HydrophobicContact CB-CD2 4.39Å; F218-F222 HydrophobicContact CB-CE2 4.05Å; F218-F222 WeakPolarHBondContact O-CB 3.45Å; F218-F222 WeakPolarHBondContact O-CD2 3.38Å; F218-F222 VanDerWaalsContact O-CG 3.29Å; F218-F222 WeakPolarHBondContact O-CG 3.42Å; F218-F222 PolarHBondContact O-N 2.7Å
223	K	77.9	Confident	74.5	Confident	44 Å²	44	55.3 Å²	55.3	19%	0.191	25%	0.254	C	S	.	.	I	π-helix	trans	-88.3	-39.7	-175.1	-75.6	-59.1	-165.2	157.3	0	114.9	P70 E109 L219 I220 D221	P70-K223 HydrophobicContact CB-CD 4.31Å; P70-K223 VanDerWaalsContact O-CE 3.26Å; P70-K223 WeakPolarHBondContact O-CE 3.45Å; P70-K223 PolarHBondContact O-NZ 3.04Å; E109-K223 VanDerWaalsContact CD-NZ 3.28Å; E109-K223 WeakPolarHBondContact OE1-CE 3.36Å; E109-K223 IonicContact OE1-NZ 3.56Å; E109-K223 PolarHBondContact OE1-NZ 3.39Å; E109-K223 WeakPolarHBondContact OE2-CE 3.36Å; E109-K223 IonicContact OE2-NZ 2.92Å; L219-K223 HydrophobicContact CD1-CG 4.19Å; L219-K223 VanDerWaalsContact O-CB 3.27Å; L219-K223 WeakPolarHBondContact O-CB 3.32Å; L219-K223 WeakPolarHBondContact O-CG 3.38Å; L219-K223 PolarHBondContact O-N 2.77Å; L219-K223 VanDerWaalsContact O-N 3.14Å; I220-K223 PolarHBondContact O-N 3.46Å; D221-K223 PolarHBondContact O-N 3.05Å
224	Y	74.7	Confident	73.2	Confident	52 Å²	52	58.3 Å²	58.3	20%	0.204	27%	0.268	C	S	.	.	I	π-helix	trans	-105.9	-25.3	-170.1	-172.4	-129.6	0	0	0	112.3	L133 I163 I220	L133-Y224 HydrophobicContact CD1-CD1 3.82Å; L133-Y224 HydrophobicContact CD1-CD2 3.84Å; L133-Y224 HydrophobicContact CD1-CE1 3.98Å; L133-Y224 HydrophobicContact CD1-CE2 3.97Å; L133-Y224 HydrophobicContact CD1-CG 3.82Å; I163-Y224 HydrophobicContact CD1-CE1 4.25Å; I220-Y224 WeakPolarHBondContact O-CB 3.08Å; I220-Y224 PolarHBondContact O-N 2.54Å
225	F	73.8	Confident	71.7	Confident	17 Å²	17	61.8 Å²	61.8	8%	0.075	28%	0.284	C	S	.	.	I	π-helix	trans	-119.1	-20.3	-168.6	-58.2	-57.6	0	0	0	114.7	E157 I163 F165 R181 F197 I220 D221 K227	E157-F225 WeakPolarHBondContact OE1-CD1 3.42Å; E157-F225 VanDerWaalsContact OE1-CE1 3.26Å; E157-F225 WeakPolarHBondContact OE1-CE1 3.28Å; I163-F225 HydrophobicContact CB-CZ 4.25Å; I163-F225 HydrophobicContact CD1-CE1 3.4Å; I163-F225 HydrophobicContact CD1-CZ 3.55Å; I163-F225 HydrophobicContact CG1-CZ 4.5Å; I163-F225 HydrophobicContact CG2-CZ 4.13Å; F165-F225 HydrophobicContact CE2-CE2 4.44Å; R181-F225 HydrophobicContact CB-CE2 4.38Å; R181-F225 HydrophobicContact CB-CZ 4.32Å; R181-F225 VanDerWaalsContact CD-CE1 3.5Å; R181-F225 VanDerWaalsContact CD-CE2 3.47Å; R181-F225 HydrophobicContact CG-CZ 4.43Å; F197-F225 AromaticContact CE1-CD2 3.73Å; F197-F225 HydrophobicContact CE1-CD2 3.73Å; F197-F225 AromaticContact CE1-CE2 3.56Å; F197-F225 HydrophobicContact CE1-CE2 3.56Å; F197-F225 AromaticContact CZ-CD2 3.37Å; F197-F225 HydrophobicContact CZ-CD2 3.37Å; F197-F225 AromaticContact CZ-CE2 3.72Å; F197-F225 HydrophobicContact CZ-CE2 3.72Å; F197-F225 HydrophobicContact CZ-CG 4.21Å; I220-F225 HydrophobicContact CG2-CD2 4.26Å; I220-F225 HydrophobicContact CG2-CE2 3.83Å; D221-F225 WeakPolarHBondContact O-CA 3Å; D221-F225 PolarHBondContact O-N 2.96Å; F225-K227 PolarHBondContact O-N 2.59Å
226	E	67.7	Low	70.1	Confident	43 Å²	43	65.6 Å²	65.6	20%	0.201	30%	0.302	C	S	.	.			trans	-65.8	105.7	171.1	-168.5	172.8	-164.2	0	0	110.4	R40 N41 R72 D221	R40-E226 IonicContact CZ-OE1 3.74Å; R40-E226 IonicContact NE-OE1 3.67Å; R40-E226 PolarHBondContact NE-OE1 2.79Å; R40-E226 IonicContact NH2-OE1 3.14Å; N41-E226 PolarHBondContact ND2-OE1 2.97Å; N41-E226 VanDerWaalsContact ND2-OE1 3.14Å; R72-E226 IonicContact CZ-OE2 3Å; R72-E226 IonicContact NH2-OE1 3.03Å; R72-E226 PolarHBondContact NH2-OE1 3.2Å; R72-E226 IonicContact NH2-OE2 3.05Å; R72-E226 PolarHBondContact NH2-OE2 3.29Å; D221-E226 PolarHBondContact O-N 3.17Å
227	K	52.9	Low	68.3	Low	176 Å²	176	70 Å²	70	77%	0.765	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-67.2	135.5	175.2	-68.2	-177.6	-178.4	175.4	0	109.9	F225	F225-K227 PolarHBondContact O-N 2.59Å
228	K	45.2	Very low	66.3	Low	146 Å²	146	74.9 Å²	74.9	64%	0.635	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-56.4	133.7	165.4	-65.7	-175.1	-178.3	-179	0	108	K230	K228-K230 PolarHBondContact O-N 2.73Å; K228-K230 VanDerWaalsContact O-N 3.13Å
229	P	38.1	Very low	64.3	Low	86 Å²	86	80.6 Å²	80.6	56%	0.558	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-54.7	126	170.4	21	-27.2	0	0	0	107.4	H231	P229-H231 PolarHBondContact O-N 3.44Å
230	K	27	Very low	62.1	Low	207 Å²	207	87.3 Å²	87.3	90%	0.9	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-63.8	119	170.9	-69.9	-175.6	176.9	-177.2	0	106.2	K228	K228-K230 PolarHBondContact O-N 2.73Å; K228-K230 VanDerWaalsContact O-N 3.13Å
231	H	30.8	Very low	59.6	Low	257 Å²	257	95.2 Å²	95.2	100%	1.19	44%	0.438	S	S	*	.			trans	-66.6	0	163.8	-86.7	-71.6	0	0	0	109.9	P229	P229-H231 PolarHBondContact O-N 3.44Å

Retrieved 231 of 231 residues in 222 ms (Link to these results)

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