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Peptide-methionine (R)-S-oxide reductase

Methionine-sulfoxide reductase that specifically reduces methionine (R)-sulfoxide back to methionine. While in many cases methionine oxidation is the result of random oxidation following oxidative stress, methionine oxidation is also a post-translational modification that takes place on specific residues.

AlphaFold DB , UniProt , Accession A0A3Q0KSP6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 154 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	40	Very low	42.1	Very low	237 Å²	237	152.2 Å²	152.2	100%	1.167	75%	0.75	S	S	*	*				0	113	0	-75.4	-173.4	169.3	0	0	108.2	L3	M1-L3 PolarHBondContact O-N 3.1Å
2	Q	38.5	Very low	43.4	Very low	170 Å²	170	145.1 Å²	145.1	79%	0.794	73%	0.734	S	S	*	*			trans	-74.5	103.4	-178.2	-74.9	170.2	-24.1	0	0	109.9	F4	Q2-F4 VanDerWaalsContact C-N 3.25Å; Q2-F4 HydrophobicContact CB-CD2 3.82Å; Q2-F4 HydrophobicContact CB-CE2 3.79Å; Q2-F4 HydrophobicContact CG-CE2 4Å; Q2-F4 PolarHBondContact O-N 3.3Å; Q2-F4 VanDerWaalsContact O-N 3.1Å
3	L	33	Very low	44.6	Very low	163 Å²	163	137.8 Å²	137.8	85%	0.853	71%	0.705	S	S	*	*			trans	-80.8	72.8	169	-87.3	150	0	0	0	109.1	M1 S5	M1-L3 PolarHBondContact O-N 3.1Å; L3-S5 PolarHBondContact O-N 2.74Å
4	F	38.2	Very low	45.7	Very low	172 Å²	172	136 Å²	136	75%	0.754	69%	0.69	S	S	*	*			trans	-74.8	77.8	158.3	-68.6	-73.8	0	0	0	107.1	Q2 K6	Q2-F4 VanDerWaalsContact C-N 3.25Å; Q2-F4 HydrophobicContact CB-CD2 3.82Å; Q2-F4 HydrophobicContact CB-CE2 3.79Å; Q2-F4 HydrophobicContact CG-CE2 4Å; Q2-F4 PolarHBondContact O-N 3.3Å; Q2-F4 VanDerWaalsContact O-N 3.1Å; F4-K6 PolarHBondContact O-N 3.25Å
5	S	38	Very low	46.5	Very low	88 Å²	88	134.6 Å²	134.6	62%	0.615	68%	0.677	S	S	*	*			trans	-61.3	128.4	175.9	85.9	0	0	0	0	107.6	L3 I7	L3-S5 PolarHBondContact O-N 2.74Å; S5-I7 VanDerWaalsContact C-N 3.28Å; S5-I7 PolarHBondContact O-N 2.93Å
6	K	37.5	Very low	47.1	Very low	204 Å²	204	130 Å²	130	89%	0.887	66%	0.655	S	S	*	*			trans	-52.5	85.4	-178.4	-60.6	170.4	179.7	177	0	110.5	F4 S8	F4-K6 PolarHBondContact O-N 3.25Å; K6-S8 PolarHBondContact O-N 3.08Å
7	I	43.2	Very low	47.9	Very low	148 Å²	148	127.8 Å²	127.8	76%	0.759	64%	0.637	S	S	*	*			trans	-67.4	94.9	154.4	-66.8	164.3	0	0	0	103.2	S5 R9	S5-I7 VanDerWaalsContact C-N 3.28Å; S5-I7 PolarHBondContact O-N 2.93Å; I7-R9 PolarHBondContact O-N 2.66Å
8	S	46.4	Very low	48.8	Very low	85 Å²	85	127.1 Å²	127.1	59%	0.594	63%	0.633	S	S	*	*			trans	-43.6	134.2	170.5	-178	0	0	0	0	107.2	K6 V10	K6-S8 PolarHBondContact O-N 3.08Å; S8-V10 PolarHBondContact O-N 2.86Å
9	R	47.7	Very low	50.1	Low	245 Å²	245	123.4 Å²	123.4	93%	0.925	62%	0.621	S	S	*	*			trans	-65.1	59.2	172.2	-71.2	177.4	165.7	172	-4.7	109.5	I7 N11	I7-R9 PolarHBondContact O-N 2.66Å; R9-N11 PolarHBondContact O-N 3.33Å; R9-N11 VanDerWaalsContact O-N 3.08Å
10	V	47.1	Very low	51.5	Low	53 Å²	53	119.4 Å²	119.4	32%	0.321	60%	0.603	S	S	.	*			trans	-60.3	114.6	156.3	176.1	0	0	0	0	103.5	S8 A12 F14 F15	S8-V10 PolarHBondContact O-N 2.86Å; V10-A12 PolarHBondContact O-N 3.24Å; V10-F14 HydrophobicContact CG1-CB 4.25Å; V10-F14 HydrophobicContact CG1-CD1 3.4Å; V10-F14 HydrophobicContact CG1-CE1 4.14Å; V10-F14 HydrophobicContact CG1-CG 4.2Å; V10-F15 HydrophobicContact CB-CD2 3.55Å; V10-F15 HydrophobicContact CB-CE2 3.2Å; V10-F15 HydrophobicContact CB-CG 4.48Å; V10-F15 HydrophobicContact CB-CZ 3.81Å; V10-F15 HydrophobicContact CG1-CD1 4.24Å; V10-F15 HydrophobicContact CG1-CD2 3.31Å; V10-F15 HydrophobicContact CG1-CE1 4.21Å; V10-F15 HydrophobicContact CG1-CE2 3.38Å; V10-F15 HydrophobicContact CG1-CG 3.79Å; V10-F15 HydrophobicContact CG1-CZ 3.8Å; V10-F15 HydrophobicContact CG2-CE2 3.85Å; V10-F15 HydrophobicContact CG2-CZ 4Å
11	N	53.7	Low	53	Low	109 Å²	109	122.5 Å²	122.5	58%	0.583	61%	0.613	S	S	*	*			trans	-49.4	128.8	-173.4	-153.8	-28.7	0	0	0	108.4	R9 S13 F14 F15	R9-N11 PolarHBondContact O-N 3.33Å; R9-N11 VanDerWaalsContact O-N 3.08Å; N11-S13 VanDerWaalsContact CG-OG 3.26Å; N11-S13 PolarHBondContact O-N 3.41Å; N11-S13 PolarHBondContact OD1-OG 3.12Å; N11-F14 HydrophobicContact CB-CB 4.3Å; N11-F14 WeakPolarHBondContact O-CA 3.33Å; N11-F14 WeakPolarHBondContact O-CB 3.43Å; N11-F14 PolarHBondContact O-N 3.21Å; N11-F15 PolarHBondContact O-N 3.02Å
12	A	58	Low	55.1	Low	67 Å²	67	112.5 Å²	112.5	55%	0.554	56%	0.563	S	S	*	*	H	α-helix	trans	-52.2	-34.5	-177.5	0	0	0	0	0	110.8	V10 F14 F15 L16	V10-A12 PolarHBondContact O-N 3.24Å; A12-F14 PolarHBondContact O-N 3.18Å; A12-F15 PolarHBondContact O-N 2.78Å; A12-L16 VanDerWaalsContact O-CB 3.27Å; A12-L16 WeakPolarHBondContact O-CB 3.29Å; A12-L16 VanDerWaalsContact O-CD1 3.29Å; A12-L16 WeakPolarHBondContact O-CD1 2.74Å; A12-L16 VanDerWaalsContact O-CG 3.29Å; A12-L16 WeakPolarHBondContact O-CG 3.29Å; A12-L16 PolarHBondContact O-N 2.82Å
13	S	58.1	Low	57.5	Low	51 Å²	51	106.7 Å²	106.7	36%	0.357	54%	0.54	S	S	.	.	H	α-helix	trans	-59.6	-38.3	173.1	59.9	0	0	0	0	114.2	N11 R17	N11-S13 VanDerWaalsContact CG-OG 3.26Å; N11-S13 PolarHBondContact O-N 3.41Å; N11-S13 PolarHBondContact OD1-OG 3.12Å; S13-R17 WeakPolarHBondContact O-CG 3.19Å; S13-R17 PolarHBondContact O-N 3.44Å
14	F	60.6	Low	60.2	Low	112 Å²	112	101.7 Å²	101.7	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-69.3	-49.5	176.4	179.8	-91.2	0	0	0	111.2	V10 N11 A12 L16 R17 M18	V10-F14 HydrophobicContact CG1-CB 4.25Å; V10-F14 HydrophobicContact CG1-CD1 3.4Å; V10-F14 HydrophobicContact CG1-CE1 4.14Å; V10-F14 HydrophobicContact CG1-CG 4.2Å; N11-F14 HydrophobicContact CB-CB 4.3Å; N11-F14 WeakPolarHBondContact O-CA 3.33Å; N11-F14 WeakPolarHBondContact O-CB 3.43Å; N11-F14 PolarHBondContact O-N 3.21Å; A12-F14 PolarHBondContact O-N 3.18Å; F14-L16 VanDerWaalsContact C-N 3.3Å; F14-L16 PolarHBondContact O-N 3.14Å; F14-R17 WeakPolarHBondContact O-CB 3.27Å; F14-R17 PolarHBondContact O-N 3.37Å; F14-R17 VanDerWaalsContact O-N 3.16Å; F14-M18 HydrophobicContact CD1-CG 4.49Å; F14-M18 HydrophobicContact CD1-SD 4.06Å; F14-M18 HydrophobicContact CE1-CE 4.41Å; F14-M18 HydrophobicContact CE1-CG 4.17Å; F14-M18 HydrophobicContact CE1-SD 3.39Å; F14-M18 WeakPolarHBondContact CE1-SD 3.38Å; F14-M18 HydrophobicContact CZ-CG 4.49Å; F14-M18 HydrophobicContact CZ-SD 3.96Å; F14-M18 PolarHBondContact O-N 3.31Å; F14-M18 VanDerWaalsContact O-N 3.15Å
15	F	57.5	Low	62.7	Low	115 Å²	115	99.3 Å²	99.3	50%	0.504	51%	0.506	S	S	.	.	H	α-helix	trans	-59.7	-43.5	175.8	-91.6	-57.4	0	0	0	111.7	V10 N11 A12 R17 M18 S19	V10-F15 HydrophobicContact CB-CD2 3.55Å; V10-F15 HydrophobicContact CB-CE2 3.2Å; V10-F15 HydrophobicContact CB-CG 4.48Å; V10-F15 HydrophobicContact CB-CZ 3.81Å; V10-F15 HydrophobicContact CG1-CD1 4.24Å; V10-F15 HydrophobicContact CG1-CD2 3.31Å; V10-F15 HydrophobicContact CG1-CE1 4.21Å; V10-F15 HydrophobicContact CG1-CE2 3.38Å; V10-F15 HydrophobicContact CG1-CG 3.79Å; V10-F15 HydrophobicContact CG1-CZ 3.8Å; V10-F15 HydrophobicContact CG2-CE2 3.85Å; V10-F15 HydrophobicContact CG2-CZ 4Å; N11-F15 PolarHBondContact O-N 3.02Å; A12-F15 PolarHBondContact O-N 2.78Å; F15-R17 PolarHBondContact O-N 3.15Å; F15-M18 PolarHBondContact O-N 3.15Å; F15-S19 PolarHBondContact O-N 3.33Å
16	L	56.4	Low	65.2	Low	61 Å²	61	99 Å²	99	32%	0.319	50%	0.495	S	S	.	.	H	α-helix	trans	-55	-55.3	173.5	-81.9	153.5	0	0	0	108.8	A12 F14 M18 S19 K22 V30	A12-L16 VanDerWaalsContact O-CB 3.27Å; A12-L16 WeakPolarHBondContact O-CB 3.29Å; A12-L16 VanDerWaalsContact O-CD1 3.29Å; A12-L16 WeakPolarHBondContact O-CD1 2.74Å; A12-L16 VanDerWaalsContact O-CG 3.29Å; A12-L16 WeakPolarHBondContact O-CG 3.29Å; A12-L16 PolarHBondContact O-N 2.82Å; F14-L16 VanDerWaalsContact C-N 3.3Å; F14-L16 PolarHBondContact O-N 3.14Å; L16-M18 PolarHBondContact O-N 3.09Å; L16-M18 VanDerWaalsContact O-N 3.1Å; L16-S19 WeakPolarHBondContact O-CB 3.36Å; L16-S19 PolarHBondContact O-N 3.26Å; L16-K22 WeakPolarHBondContact O-CE 3.48Å; L16-K22 PolarHBondContact O-NZ 3.39Å; L16-V30 HydrophobicContact CB-CG1 3.78Å; L16-V30 HydrophobicContact CD1-CG1 4.16Å; L16-V30 HydrophobicContact CG-CG1 4.46Å
17	R	60.8	Low	67.8	Low	92 Å²	92	89.5 Å²	89.5	35%	0.347	45%	0.453	S	S	.	.	H	α-helix	trans	-48.9	-42.2	178.4	-78	180	-177.5	-168.1	-1.1	113	S13 F14 F15 S19 K22 V30 C65 C66	S13-R17 WeakPolarHBondContact O-CG 3.19Å; S13-R17 PolarHBondContact O-N 3.44Å; F14-R17 WeakPolarHBondContact O-CB 3.27Å; F14-R17 PolarHBondContact O-N 3.37Å; F14-R17 VanDerWaalsContact O-N 3.16Å; F15-R17 PolarHBondContact O-N 3.15Å; R17-S19 VanDerWaalsContact C-N 3.29Å; R17-S19 PolarHBondContact O-N 3.3Å; R17-K22 PolarHBondContact O-NZ 3.46Å; R17-V30 HydrophobicContact CG-CB 4.47Å; R17-V30 PolarHBondContact NH2-O 2.74Å; R17-V30 VanDerWaalsContact NH2-O 3.12Å; R17-C65 CarbonylContact C-O 3.58Å; R17-C66 WeakPolarHBondContact O-CA 3.48Å
18	M	64.3	Low	70.2	Confident	116 Å²	116	87.7 Å²	87.7	57%	0.571	44%	0.44	S	S	*	.	H	α-helix	trans	-64.2	-26.2	178.9	-61.7	-174.5	97.4	0	0	114.8	F14 F15 L16 T20	F14-M18 HydrophobicContact CD1-CG 4.49Å; F14-M18 HydrophobicContact CD1-SD 4.06Å; F14-M18 HydrophobicContact CE1-CE 4.41Å; F14-M18 HydrophobicContact CE1-CG 4.17Å; F14-M18 HydrophobicContact CE1-SD 3.39Å; F14-M18 WeakPolarHBondContact CE1-SD 3.38Å; F14-M18 HydrophobicContact CZ-CG 4.49Å; F14-M18 HydrophobicContact CZ-SD 3.96Å; F14-M18 PolarHBondContact O-N 3.31Å; F14-M18 VanDerWaalsContact O-N 3.15Å; F15-M18 PolarHBondContact O-N 3.15Å; L16-M18 PolarHBondContact O-N 3.09Å; L16-M18 VanDerWaalsContact O-N 3.1Å; M18-T20 PolarHBondContact O-N 3.16Å
19	S	72.4	Confident	72.3	Confident	56 Å²	56	89 Å²	89	39%	0.392	45%	0.448	S	S	.	.			trans	-70.2	128.6	174.8	-177.4	0	0	0	0	111.4	F15 L16 R17 K21 K22	F15-S19 PolarHBondContact O-N 3.33Å; L16-S19 WeakPolarHBondContact O-CB 3.36Å; L16-S19 PolarHBondContact O-N 3.26Å; R17-S19 VanDerWaalsContact C-N 3.29Å; R17-S19 PolarHBondContact O-N 3.3Å; S19-K21 PolarHBondContact OG-O 3.43Å; S19-K22 PolarHBondContact O-NZ 2.97Å
20	T	79.2	Confident	74.2	Confident	44 Å²	44	78.1 Å²	78.1	27%	0.27	41%	0.408	S	S	.	.	S	Bend	trans	-87.5	-23.5	-178.6	58.1	0	0	0	0	113.6	M18 C66 Q121	M18-T20 PolarHBondContact O-N 3.16Å; T20-C66 HydrophobicContact CG2-CB 4.48Å; T20-Q121 VanDerWaalsContact CB-O 3.27Å; T20-Q121 WeakPolarHBondContact CB-O 3.48Å; T20-Q121 HydrophobicContact CG2-CG 3.49Å; T20-Q121 VanDerWaalsContact CG2-CG 3.49Å; T20-Q121 WeakPolarHBondContact CG2-O 3.45Å
21	K	81.8	Confident	76.4	Confident	185 Å²	185	76 Å²	76	80%	0.804	40%	0.396	S	S	*	.			trans	-100.3	109.2	174.7	-64.3	-176	-179.4	-178.9	0	108.1	S19	S19-K21 PolarHBondContact OG-O 3.43Å
22	K	84.2	Confident	78.4	Confident	27 Å²	27	74.4 Å²	74.4	12%	0.117	39%	0.387	C	S	.	.			trans	-136.2	151.2	173.7	-65.6	-169.7	-172.1	70.9	0	110	L16 R17 S19 E26 W27 V30	L16-K22 WeakPolarHBondContact O-CE 3.48Å; L16-K22 PolarHBondContact O-NZ 3.39Å; R17-K22 PolarHBondContact O-NZ 3.46Å; S19-K22 PolarHBondContact O-NZ 2.97Å; K22-E26 WeakPolarHBondContact CA-OE2 3.48Å; K22-E26 HydrophobicContact CB-CB 3.89Å; K22-E26 HydrophobicContact CD-CB 4.11Å; K22-E26 HydrophobicContact CG-CB 4.34Å; K22-W27 HydrophobicContact CB-CD2 4.13Å; K22-W27 HydrophobicContact CB-CG 4.25Å; K22-W27 HydrophobicContact CB-CZ2 4.12Å; K22-W27 HydrophobicContact CD-CD2 3.8Å; K22-W27 HydrophobicContact CD-CE3 3.8Å; K22-W27 HydrophobicContact CD-CG 4.43Å; K22-W27 HydrophobicContact CD-CH2 3.96Å; K22-W27 HydrophobicContact CD-CZ2 3.96Å; K22-W27 HydrophobicContact CD-CZ3 3.87Å; K22-W27 HydrophobicContact CG-CD2 4.47Å; K22-W27 HydrophobicContact CG-CH2 4.44Å; K22-W27 HydrophobicContact CG-CZ2 4.06Å; K22-V30 HydrophobicContact CD-CG2 4.47Å
23	S	89.1	Confident	80.3	Confident	47 Å²	47	76.6 Å²	76.6	33%	0.329	40%	0.395	S	S	.	.			trans	-66.6	166.7	166	95.7	0	0	0	0	111	E25 E26 W27	S23-E25 VanDerWaalsContact C-N 3.31Å; S23-E25 WeakPolarHBondContact CB-OE2 3.39Å; S23-E25 PolarHBondContact OG-N 3.5Å; S23-E25 PolarHBondContact OG-OE2 3.1Å; S23-E26 PolarHBondContact N-OE2 3.45Å; S23-E26 PolarHBondContact O-N 2.78Å; S23-E26 PolarHBondContact OG-N 3.41Å; S23-E26 VanDerWaalsContact OG-N 3.15Å; S23-W27 PolarHBondContact O-N 3.42Å
24	D	89.8	Confident	82.1	Confident	59 Å²	59	77.5 Å²	77.5	32%	0.316	39%	0.394	S	S	.	.	H	α-helix	trans	-62.8	-40.8	175.6	-171.3	64.3	0	0	0	112	W27 K28 Y36	D24-W27 PolarHBondContact O-N 3.03Å; D24-K28 WeakPolarHBondContact O-CG 3.33Å; D24-K28 PolarHBondContact O-N 3.2Å; D24-K28 VanDerWaalsContact OD2-CE 3.29Å; D24-K28 WeakPolarHBondContact OD2-CE 3.3Å; D24-K28 IonicContact OD2-NZ 2.7Å; D24-K28 PolarHBondContact OD2-NZ 2.84Å; D24-Y36 VanDerWaalsContact OD1-CE2 3.31Å; D24-Y36 WeakPolarHBondContact OD1-CE2 3.41Å; D24-Y36 VanDerWaalsContact OD1-CZ 3.29Å; D24-Y36 PolarHBondContact OD1-OH 3.27Å; D24-Y36 PolarHBondContact OD2-OH 2.67Å
25	E	90.4	Very high	83.9	Confident	121 Å²	121	73.6 Å²	73.6	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-63.6	-42.1	176.7	-59.1	71.1	-153.9	0	0	111.2	S23 W27 K28 C29	S23-E25 VanDerWaalsContact C-N 3.31Å; S23-E25 WeakPolarHBondContact CB-OE2 3.39Å; S23-E25 PolarHBondContact OG-N 3.5Å; S23-E25 PolarHBondContact OG-OE2 3.1Å; E25-W27 VanDerWaalsContact C-N 3.32Å; E25-W27 PolarHBondContact O-N 2.65Å; E25-K28 PolarHBondContact O-N 2.91Å; E25-C29 PolarHBondContact O-N 2.93Å; E25-C29 VanDerWaalsContact O-N 3.09Å; E25-C29 PolarHBondContact O-SG 2.86Å
26	E	90.9	Very high	85.8	Confident	83 Å²	83	69.2 Å²	69.2	39%	0.388	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-38.5	174.9	-70.9	-178.2	122.7	0	0	111.8	K22 S23 C29 V30	K22-E26 WeakPolarHBondContact CA-OE2 3.48Å; K22-E26 HydrophobicContact CB-CB 3.89Å; K22-E26 HydrophobicContact CD-CB 4.11Å; K22-E26 HydrophobicContact CG-CB 4.34Å; S23-E26 PolarHBondContact N-OE2 3.45Å; S23-E26 PolarHBondContact O-N 2.78Å; S23-E26 PolarHBondContact OG-N 3.41Å; S23-E26 VanDerWaalsContact OG-N 3.15Å; E26-C29 PolarHBondContact O-N 2.91Å; E26-V30 PolarHBondContact O-N 2.52Å
27	W	93	Very high	87.8	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.015	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-44.2	174	-78.8	122.2	0	0	0	112.4	K22 S23 D24 E25 C29 V30 L31 Y36 R40 C65 C122	K22-W27 HydrophobicContact CB-CD2 4.13Å; K22-W27 HydrophobicContact CB-CG 4.25Å; K22-W27 HydrophobicContact CB-CZ2 4.12Å; K22-W27 HydrophobicContact CD-CD2 3.8Å; K22-W27 HydrophobicContact CD-CE3 3.8Å; K22-W27 HydrophobicContact CD-CG 4.43Å; K22-W27 HydrophobicContact CD-CH2 3.96Å; K22-W27 HydrophobicContact CD-CZ2 3.96Å; K22-W27 HydrophobicContact CD-CZ3 3.87Å; K22-W27 HydrophobicContact CG-CD2 4.47Å; K22-W27 HydrophobicContact CG-CH2 4.44Å; K22-W27 HydrophobicContact CG-CZ2 4.06Å; S23-W27 PolarHBondContact O-N 3.42Å; D24-W27 PolarHBondContact O-N 3.03Å; E25-W27 VanDerWaalsContact C-N 3.32Å; E25-W27 PolarHBondContact O-N 2.65Å; W27-C29 PolarHBondContact O-N 3.26Å; W27-V30 HydrophobicContact CE3-CG2 3.68Å; W27-V30 HydrophobicContact CZ3-CG2 4.09Å; W27-V30 PolarHBondContact O-N 2.7Å; W27-V30 VanDerWaalsContact O-N 3.14Å; W27-L31 HydrophobicContact CE3-CD1 4.01Å; W27-L31 HydrophobicContact CE3-CG 4.16Å; W27-L31 WeakPolarHBondContact O-CB 3.34Å; W27-L31 PolarHBondContact O-N 2.99Å; W27-Y36 HydrophobicContact CB-CD2 4.11Å; W27-Y36 HydrophobicContact CB-CE2 4.18Å; W27-R40 HydrophobicContact CB-CG 4.3Å; W27-R40 HydrophobicContact CG-CG 4.3Å; W27-C65 HydrophobicContact CE3-CB 4.37Å; W27-C65 HydrophobicContact CH2-CB 3.61Å; W27-C65 HydrophobicContact CZ2-CB 4.47Å; W27-C65 HydrophobicContact CZ3-CB 3.55Å; W27-C65 WeakPolarHBondContact CZ3-O 3.46Å; W27-C122 HydrophobicContact CZ2-CB 4.47Å
28	K	92.9	Very high	89.6	Confident	109 Å²	109	66.1 Å²	66.1	47%	0.474	34%	0.342	S	S	.	.	H	α-helix	trans	-59.2	-29.6	175.5	-74.6	172	170.8	147	0	112.9	D24 E25 Y36	D24-K28 WeakPolarHBondContact O-CG 3.33Å; D24-K28 PolarHBondContact O-N 3.2Å; D24-K28 VanDerWaalsContact OD2-CE 3.29Å; D24-K28 WeakPolarHBondContact OD2-CE 3.3Å; D24-K28 IonicContact OD2-NZ 2.7Å; D24-K28 PolarHBondContact OD2-NZ 2.84Å; E25-K28 PolarHBondContact O-N 2.91Å; K28-Y36 HydrophobicContact CD-CE1 4.39Å; K28-Y36 HydrophobicContact CD-CE2 4.44Å; K28-Y36 VanDerWaalsContact CE-CZ 3.44Å; K28-Y36 VanDerWaalsContact CE-OH 3.28Å; K28-Y36 WeakPolarHBondContact CE-OH 3.38Å; K28-Y36 HydrophobicContact CG-CD1 4.13Å; K28-Y36 HydrophobicContact CG-CD2 3.76Å; K28-Y36 HydrophobicContact CG-CE1 3.93Å; K28-Y36 HydrophobicContact CG-CE2 3.55Å; K28-Y36 HydrophobicContact CG-CG 4.06Å
29	C	89.9	Confident	91.2	Very high	113 Å²	113	60.7 Å²	60.7	76%	0.764	32%	0.315	S	S	*	.	H	α-helix	trans	-77	-26.1	177.4	-72.8	0	0	0	0	114	E25 E26 W27	E25-C29 PolarHBondContact O-N 2.93Å; E25-C29 VanDerWaalsContact O-N 3.09Å; E25-C29 PolarHBondContact O-SG 2.86Å; E26-C29 PolarHBondContact O-N 2.91Å; W27-C29 PolarHBondContact O-N 3.26Å
30	V	87.8	Confident	92.3	Very high	16 Å²	16	61.6 Å²	61.6	10%	0.097	31%	0.31	C	S	.	.	H	α-helix	trans	-106.5	-19.7	-174.4	-59	0	0	0	0	114.7	L16 R17 K22 E26 W27	L16-V30 HydrophobicContact CB-CG1 3.78Å; L16-V30 HydrophobicContact CD1-CG1 4.16Å; L16-V30 HydrophobicContact CG-CG1 4.46Å; R17-V30 HydrophobicContact CG-CB 4.47Å; R17-V30 PolarHBondContact NH2-O 2.74Å; R17-V30 VanDerWaalsContact NH2-O 3.12Å; K22-V30 HydrophobicContact CD-CG2 4.47Å; E26-V30 PolarHBondContact O-N 2.52Å; W27-V30 HydrophobicContact CE3-CG2 3.68Å; W27-V30 HydrophobicContact CZ3-CG2 4.09Å; W27-V30 PolarHBondContact O-N 2.7Å; W27-V30 VanDerWaalsContact O-N 3.14Å
31	L	94	Very high	93.1	Very high	10 Å²	10	64.5 Å²	64.5	5%	0.052	32%	0.323	C	S	.	.	S	Bend	trans	-102	145.3	175.8	-61.5	179.8	0	0	0	109.2	W27 Q35 R40 V64	W27-L31 HydrophobicContact CE3-CD1 4.01Å; W27-L31 HydrophobicContact CE3-CG 4.16Å; W27-L31 WeakPolarHBondContact O-CB 3.34Å; W27-L31 PolarHBondContact O-N 2.99Å; L31-Q35 HydrophobicContact CB-CB 3.95Å; L31-Q35 HydrophobicContact CD2-CB 4.21Å; L31-Q35 HydrophobicContact CG-CB 4.49Å; L31-R40 HydrophobicContact CD1-CG 3.96Å; L31-V64 HydrophobicContact CD2-CG1 4.12Å; L31-V64 HydrophobicContact CD2-CG2 4.41Å
32	N	95.8	Very high	93.8	Very high	74 Å²	74	61.9 Å²	61.9	40%	0.396	31%	0.312	S	S	.	.			trans	-69.5	165.4	166.1	77.1	39.1	0	0	0	110.3	E34 Q35 Y36	N32-E34 VanDerWaalsContact C-N 3.27Å; N32-E34 PolarHBondContact O-N 3.26Å; N32-E34 PolarHBondContact OD1-N 3.31Å; N32-Q35 WeakPolarHBondContact ND2-CG 3.4Å; N32-Q35 PolarHBondContact ND2-NE2 3.22Å; N32-Q35 PolarHBondContact ND2-OE1 3.24Å; N32-Q35 PolarHBondContact O-N 2.96Å; N32-Q35 WeakPolarHBondContact OD1-CG 3.31Å; N32-Q35 PolarHBondContact OD1-N 3.34Å; N32-Y36 WeakPolarHBondContact O-CB 3.46Å; N32-Y36 PolarHBondContact O-N 3.07Å
33	P	96.7	Very high	94.4	Very high	113 Å²	113	61.2 Å²	61.2	73%	0.734	31%	0.312	S	S	*	.	H	α-helix	trans	-55	-38.6	-176.2	-29.3	36.6	0	0	0	114.5	R37	P33-R37 VanDerWaalsContact O-CB 3.3Å; P33-R37 WeakPolarHBondContact O-CB 3.46Å; P33-R37 PolarHBondContact O-N 3.21Å
34	E	97.4	Very high	94.8	Very high	70 Å²	70	62.1 Å²	62.1	33%	0.327	32%	0.316	S	S	.	.	H	α-helix	trans	-73.6	-44.4	-179	-177.7	62.8	-179.4	0	0	111.9	N32 Y36 R37 V38 A146	N32-E34 VanDerWaalsContact C-N 3.27Å; N32-E34 PolarHBondContact O-N 3.26Å; N32-E34 PolarHBondContact OD1-N 3.31Å; E34-Y36 VanDerWaalsContact C-N 3.28Å; E34-Y36 PolarHBondContact O-N 2.63Å; E34-R37 PolarHBondContact O-N 3.48Å; E34-R37 IonicContact OE1-CZ 3.63Å; E34-R37 IonicContact OE1-NE 3.78Å; E34-R37 IonicContact OE1-NH2 3.81Å; E34-R37 PolarHBondContact OE1-NH2 3.32Å; E34-R37 IonicContact OE2-CZ 2.71Å; E34-R37 IonicContact OE2-NE 3.49Å; E34-R37 PolarHBondContact OE2-NE 2.78Å; E34-R37 IonicContact OE2-NH2 3.52Å; E34-R37 PolarHBondContact OE2-NH2 2.68Å; E34-V38 WeakPolarHBondContact O-CB 3.28Å; E34-V38 WeakPolarHBondContact O-CG2 3.29Å; E34-V38 PolarHBondContact O-N 3.03Å; E34-A146 HydrophobicContact CG-CB 4.08Å
35	Q	98	Very high	95.1	Very high	30 Å²	30	60.1 Å²	60.1	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-57.2	-44.1	173.1	-70	171.4	-17.8	0	0	110.9	L31 N32 A39 V64 A146	L31-Q35 HydrophobicContact CB-CB 3.95Å; L31-Q35 HydrophobicContact CD2-CB 4.21Å; L31-Q35 HydrophobicContact CG-CB 4.49Å; N32-Q35 WeakPolarHBondContact ND2-CG 3.4Å; N32-Q35 PolarHBondContact ND2-NE2 3.22Å; N32-Q35 PolarHBondContact ND2-OE1 3.24Å; N32-Q35 PolarHBondContact O-N 2.96Å; N32-Q35 WeakPolarHBondContact OD1-CG 3.31Å; N32-Q35 PolarHBondContact OD1-N 3.34Å; Q35-A39 WeakPolarHBondContact O-CA 3.36Å; Q35-A39 WeakPolarHBondContact O-CB 3.35Å; Q35-A39 PolarHBondContact O-N 3.33Å; Q35-V64 HydrophobicContact CG-CG2 4.14Å; Q35-A146 WeakPolarHBondContact CG-O 3.4Å
36	Y	97.1	Very high	95.4	Very high	24 Å²	24	57 Å²	57	9%	0.094	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-48.6	177.1	175.5	-96.8	0	0	0	111.6	D24 W27 K28 N32 E34 V38 R40 L41	D24-Y36 VanDerWaalsContact OD1-CE2 3.31Å; D24-Y36 WeakPolarHBondContact OD1-CE2 3.41Å; D24-Y36 VanDerWaalsContact OD1-CZ 3.29Å; D24-Y36 PolarHBondContact OD1-OH 3.27Å; D24-Y36 PolarHBondContact OD2-OH 2.67Å; W27-Y36 HydrophobicContact CB-CD2 4.11Å; W27-Y36 HydrophobicContact CB-CE2 4.18Å; K28-Y36 HydrophobicContact CD-CE1 4.39Å; K28-Y36 HydrophobicContact CD-CE2 4.44Å; K28-Y36 VanDerWaalsContact CE-CZ 3.44Å; K28-Y36 VanDerWaalsContact CE-OH 3.28Å; K28-Y36 WeakPolarHBondContact CE-OH 3.38Å; K28-Y36 HydrophobicContact CG-CD1 4.13Å; K28-Y36 HydrophobicContact CG-CD2 3.76Å; K28-Y36 HydrophobicContact CG-CE1 3.93Å; K28-Y36 HydrophobicContact CG-CE2 3.55Å; K28-Y36 HydrophobicContact CG-CG 4.06Å; N32-Y36 WeakPolarHBondContact O-CB 3.46Å; N32-Y36 PolarHBondContact O-N 3.07Å; E34-Y36 VanDerWaalsContact C-N 3.28Å; E34-Y36 PolarHBondContact O-N 2.63Å; Y36-V38 VanDerWaalsContact C-N 3.33Å; Y36-V38 PolarHBondContact O-N 2.89Å; Y36-R40 HydrophobicContact CD2-CB 3.88Å; Y36-R40 HydrophobicContact CD2-CG 3.7Å; Y36-R40 HydrophobicContact CE2-CB 3.76Å; Y36-R40 HydrophobicContact CE2-CG 3.91Å; Y36-R40 WeakPolarHBondContact O-CA 3.46Å; Y36-R40 VanDerWaalsContact O-CB 3.28Å; Y36-R40 WeakPolarHBondContact O-CB 3.17Å; Y36-R40 PolarHBondContact O-N 2.89Å; Y36-L41 HydrophobicContact CD1-CD1 4.35Å; Y36-L41 HydrophobicContact CD1-CG 4.44Å; Y36-L41 HydrophobicContact CE1-CD1 3.77Å; Y36-L41 HydrophobicContact CE1-CD2 4.15Å; Y36-L41 HydrophobicContact CE1-CG 3.87Å; Y36-L41 PolarHBondContact O-N 3.38Å
37	R	97.9	Very high	95.8	Very high	88 Å²	88	55.7 Å²	55.7	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-56.4	-45.8	177.9	-173.2	-168.3	70.2	80.4	-1.7	111.9	P33 E34 L41 G43 T44	P33-R37 VanDerWaalsContact O-CB 3.3Å; P33-R37 WeakPolarHBondContact O-CB 3.46Å; P33-R37 PolarHBondContact O-N 3.21Å; E34-R37 PolarHBondContact O-N 3.48Å; E34-R37 IonicContact OE1-CZ 3.63Å; E34-R37 IonicContact OE1-NE 3.78Å; E34-R37 IonicContact OE1-NH2 3.81Å; E34-R37 PolarHBondContact OE1-NH2 3.32Å; E34-R37 IonicContact OE2-CZ 2.71Å; E34-R37 IonicContact OE2-NE 3.49Å; E34-R37 PolarHBondContact OE2-NE 2.78Å; E34-R37 IonicContact OE2-NH2 3.52Å; E34-R37 PolarHBondContact OE2-NH2 2.68Å; R37-L41 CarbonylContact O-C 3.57Å; R37-L41 WeakPolarHBondContact O-CA 3.49Å; R37-L41 VanDerWaalsContact O-CB 3.25Å; R37-L41 WeakPolarHBondContact O-CB 3.49Å; R37-L41 PolarHBondContact O-N 2.91Å; R37-G43 PolarHBondContact O-N 2.89Å; R37-G43 VanDerWaalsContact O-N 3.09Å; R37-T44 PolarHBondContact NH1-O 3.35Å; R37-T44 PolarHBondContact NH2-O 2.8Å
38	V	98.4	Very high	96	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-74.5	-59.1	-179.5	173.1	0	0	0	0	110.6	E34 Y36 R40 K42 G43 E45 H125 N144 A146 S147	E34-V38 WeakPolarHBondContact O-CB 3.28Å; E34-V38 WeakPolarHBondContact O-CG2 3.29Å; E34-V38 PolarHBondContact O-N 3.03Å; Y36-V38 VanDerWaalsContact C-N 3.33Å; Y36-V38 PolarHBondContact O-N 2.89Å; V38-R40 PolarHBondContact O-N 3.09Å; V38-K42 WeakPolarHBondContact O-CA 3.44Å; V38-K42 PolarHBondContact O-N 2.82Å; V38-K42 VanDerWaalsContact O-N 3.16Å; V38-G43 WeakPolarHBondContact CG1-O 3.49Å; V38-G43 PolarHBondContact O-N 3.37Å; V38-E45 HydrophobicContact CG2-CG 4.09Å; V38-H125 WeakPolarHBondContact O-CB 3.46Å; V38-N144 HydrophobicContact CG1-CB 3.45Å; V38-N144 VanDerWaalsContact CG1-CB 3.45Å; V38-A146 HydrophobicContact CB-CB 3.97Å; V38-A146 HydrophobicContact CG1-CB 4.17Å; V38-A146 HydrophobicContact CG2-CB 3.89Å; V38-S147 VanDerWaalsContact CG1-OG 3.28Å; V38-S147 WeakPolarHBondContact CG1-OG 3.35Å
39	A	97.5	Very high	96.2	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-75	-24	-168.4	0	0	0	0	0	114	Q35 V64 A124 H125	Q35-A39 WeakPolarHBondContact O-CA 3.36Å; Q35-A39 WeakPolarHBondContact O-CB 3.35Å; Q35-A39 PolarHBondContact O-N 3.33Å; A39-V64 HydrophobicContact CB-CG1 4.45Å; A39-A124 HydrophobicContact CB-CB 4.22Å; A39-A124 CarbonylContact O-C 3.6Å; A39-A124 VanDerWaalsContact O-CA 3.32Å; A39-A124 WeakPolarHBondContact O-CA 3.42Å; A39-H125 PolarHBondContact O-N 2.97Å
40	R	96.8	Very high	96.5	Very high	76 Å²	76	55.6 Å²	55.6	29%	0.287	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-33.6	-178.2	-54.7	-51.3	-53.6	170.1	-1.6	113.5	W27 L31 Y36 V38 C122	W27-R40 HydrophobicContact CB-CG 4.3Å; W27-R40 HydrophobicContact CG-CG 4.3Å; L31-R40 HydrophobicContact CD1-CG 3.96Å; Y36-R40 HydrophobicContact CD2-CB 3.88Å; Y36-R40 HydrophobicContact CD2-CG 3.7Å; Y36-R40 HydrophobicContact CE2-CB 3.76Å; Y36-R40 HydrophobicContact CE2-CG 3.91Å; Y36-R40 WeakPolarHBondContact O-CA 3.46Å; Y36-R40 VanDerWaalsContact O-CB 3.28Å; Y36-R40 WeakPolarHBondContact O-CB 3.17Å; Y36-R40 PolarHBondContact O-N 2.89Å; V38-R40 PolarHBondContact O-N 3.09Å; R40-C122 PolarHBondContact NH1-O 3.16Å
41	L	96.6	Very high	97	Very high	105 Å²	105	61.6 Å²	61.6	55%	0.55	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	12.2	178.9	-48.6	-178.4	0	0	0	113.6	Y36 R37 G43	Y36-L41 HydrophobicContact CD1-CD1 4.35Å; Y36-L41 HydrophobicContact CD1-CG 4.44Å; Y36-L41 HydrophobicContact CE1-CD1 3.77Å; Y36-L41 HydrophobicContact CE1-CD2 4.15Å; Y36-L41 HydrophobicContact CE1-CG 3.87Å; Y36-L41 PolarHBondContact O-N 3.38Å; R37-L41 CarbonylContact O-C 3.57Å; R37-L41 WeakPolarHBondContact O-CA 3.49Å; R37-L41 VanDerWaalsContact O-CB 3.25Å; R37-L41 WeakPolarHBondContact O-CB 3.49Å; R37-L41 PolarHBondContact O-N 2.91Å; L41-G43 PolarHBondContact O-N 2.85Å
42	K	96.4	Very high	97.2	Very high	129 Å²	129	62.5 Å²	62.5	56%	0.561	33%	0.326	S	S	*	.			trans	56.1	31	178.8	-52.6	-168	172.3	-163.8	0	113.8	V38 E116 H125	V38-K42 WeakPolarHBondContact O-CA 3.44Å; V38-K42 PolarHBondContact O-N 2.82Å; V38-K42 VanDerWaalsContact O-N 3.16Å; K42-E116 WeakPolarHBondContact CE-OE1 3.34Å; K42-E116 IonicContact NZ-OE1 2.81Å; K42-E116 IonicContact NZ-OE2 3.23Å; K42-E116 PolarHBondContact NZ-OE2 3.41Å; K42-H125 HydrophobicContact CB-CB 4.4Å; K42-H125 HydrophobicContact CG-CB 4.13Å
43	G	96.2	Very high	97.3	Very high	13 Å²	13	60 Å²	60	13%	0.134	31%	0.311	C	S	.	.			trans	-69.6	161.6	172.9	0	0	0	0	0	112.2	R37 V38 L41 H125	R37-G43 PolarHBondContact O-N 2.89Å; R37-G43 VanDerWaalsContact O-N 3.09Å; V38-G43 WeakPolarHBondContact CG1-O 3.49Å; V38-G43 PolarHBondContact O-N 3.37Å; L41-G43 PolarHBondContact O-N 2.85Å; G43-H125 PolarHBondContact O-CD2 2.86Å
44	T	96.9	Very high	97.3	Very high	66 Å²	66	60.9 Å²	60.9	41%	0.405	31%	0.305	S	S	.	.			trans	-116.1	140.4	169.3	-49.7	0	0	0	0	109	R37 W83 N144	R37-T44 PolarHBondContact NH1-O 3.35Å; R37-T44 PolarHBondContact NH2-O 2.8Å; T44-W83 HydrophobicContact CG2-CZ2 3.93Å; T44-N144 WeakPolarHBondContact CA-OD1 3.34Å
45	E	97.3	Very high	97.3	Very high	17 Å²	17	58.8 Å²	58.8	8%	0.079	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-67.5	156.1	171	-70.6	174.7	118	0	0	110.4	V38 W83 N144 S145 A146	V38-E45 HydrophobicContact CG2-CG 4.09Å; E45-W83 WeakPolarHBondContact O-CZ2 3.35Å; E45-W83 PolarHBondContact O-NE1 3.07Å; E45-N144 HydrophobicContact CG-CB 4.31Å; E45-N144 PolarHBondContact N-OD1 3.17Å; E45-N144 VanDerWaalsContact OE2-C 3.24Å; E45-N144 VanDerWaalsContact OE2-CA 3.22Å; E45-N144 WeakPolarHBondContact OE2-CA 3.25Å; E45-N144 WeakPolarHBondContact OE2-CB 3.28Å; E45-S145 WeakPolarHBondContact OE2-CA 3.44Å; E45-S145 PolarHBondContact OE2-N 3.29Å; E45-A146 VanDerWaalsContact CD-N 3.35Å; E45-A146 HydrophobicContact CG-CB 3.94Å; E45-A146 WeakPolarHBondContact OE1-CB 3.09Å; E45-A146 PolarHBondContact OE1-N 2.79Å; E45-A146 VanDerWaalsContact OE1-N 3.15Å; E45-A146 PolarHBondContact OE2-N 2.99Å
46	A	97.1	Very high	97.2	Very high	55 Å²	55	66.2 Å²	66.2	46%	0.455	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-62	145	166.4	0	0	0	0	0	110	T49	A46-T49 HydrophobicContact CB-CG2 3.8Å; A46-T49 PolarHBondContact O-N 3.16Å; A46-T49 PolarHBondContact O-OG1 3.45Å
47	P	97.7	Very high	97.3	Very high	57 Å²	57	69.1 Å²	69.1	37%	0.37	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	146.9	178.3	29.2	-35.7	0	0	0	110.2	T49 W83	P47-T49 PolarHBondContact O-N 2.65Å; P47-W83 HydrophobicContact CB-CH2 3.78Å; P47-W83 HydrophobicContact CB-CZ2 3.79Å; P47-W83 HydrophobicContact CB-CZ3 4.16Å; P47-W83 HydrophobicContact CG-CH2 4.3Å; P47-W83 HydrophobicContact CG-CZ2 4.31Å
48	F	97.4	Very high	97.3	Very high	119 Å²	119	73 Å²	73	52%	0.522	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	3.9	178.3	-44.3	-81.3	0	0	0	115.5	Y53 G82	F48-Y53 HydrophobicContact CB-CD1 4.43Å; F48-Y53 HydrophobicContact CB-CE1 4.3Å; F48-Y53 HydrophobicContact CD1-CD1 4.3Å; F48-Y53 AromaticContact CD1-CE1 3.44Å; F48-Y53 HydrophobicContact CD1-CE1 3.44Å; F48-Y53 VanDerWaalsContact CD1-CE1 3.44Å; F48-Y53 AromaticContact CD1-CZ 3.59Å; F48-Y53 HydrophobicContact CE1-CE1 4.22Å; F48-Y53 AromaticContact CE1-CZ 3.91Å; F48-Y53 WeakPolarHBondContact CE1-OH 3.49Å; F48-Y53 HydrophobicContact CG-CE1 4.33Å; F48-G82 WeakPolarHBondContact CA-O 3.39Å; F48-G82 VanDerWaalsContact CD1-CA 3.48Å; F48-G82 PolarHBondContact N-O 2.85Å
49	T	96.6	Very high	97.3	Very high	95 Å²	95	73.3 Å²	73.3	58%	0.583	37%	0.366	S	S	*	.			trans	-101	-17.3	-178.1	69.3	0	0	0	0	114.4	A46 P47	A46-T49 HydrophobicContact CB-CG2 3.8Å; A46-T49 PolarHBondContact O-N 3.16Å; A46-T49 PolarHBondContact O-OG1 3.45Å; P47-T49 PolarHBondContact O-N 2.65Å
50	G	97	Very high	97.4	Very high	9 Å²	9	76 Å²	76	9%	0.093	38%	0.378	C	S	.	.	S	Bend	trans	-69.1	138.1	-173.3	0	0	0	0	0	113	Y52 Y53 S145	G50-Y52 PolarHBondContact O-N 2.8Å; G50-Y52 VanDerWaalsContact O-N 3.08Å; G50-Y53 VanDerWaalsContact O-CB 3.32Å; G50-Y53 WeakPolarHBondContact O-CB 3.36Å; G50-Y53 PolarHBondContact O-N 2.82Å; G50-S145 VanDerWaalsContact C-OG 3.32Å; G50-S145 WeakPolarHBondContact CA-OG 3.07Å
51	E	97.8	Very high	97.5	Very high	143 Å²	143	72.4 Å²	72.4	67%	0.668	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-39.4	-178.2	-175.7	-176.7	147.6	0	0	113.4
52	Y	98.2	Very high	97.6	Very high	29 Å²	29	68.8 Å²	68.8	11%	0.114	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	4.9	-174.8	-58.2	-50.4	0	0	0	114.2	G50 H54 N55 Y61 K76 S145 L148 F150	G50-Y52 PolarHBondContact O-N 2.8Å; G50-Y52 VanDerWaalsContact O-N 3.08Å; Y52-H54 PolarHBondContact O-N 3.31Å; Y52-N55 HydrophobicContact CD1-CB 4.15Å; Y52-N55 PolarHBondContact O-N 2.89Å; Y52-Y61 HydrophobicContact CD1-CE1 4.25Å; Y52-Y61 HydrophobicContact CD2-CE1 4.38Å; Y52-Y61 HydrophobicContact CG-CD1 4.46Å; Y52-Y61 AromaticContact CG-CE1 3.89Å; Y52-Y61 HydrophobicContact CG-CE1 3.89Å; Y52-K76 WeakPolarHBondContact O-CE 3.21Å; Y52-K76 PolarHBondContact O-NZ 3.46Å; Y52-S145 PolarHBondContact N-OG 3.13Å; Y52-L148 HydrophobicContact CD2-CB 3.84Å; Y52-L148 HydrophobicContact CE2-CB 4.02Å; Y52-F150 HydrophobicContact CD1-CB 4.13Å; Y52-F150 HydrophobicContact CE1-CB 3.55Å; Y52-F150 HydrophobicContact CE1-CG 4.49Å; Y52-F150 HydrophobicContact CE2-CB 4.47Å
53	Y	97.7	Very high	97.6	Very high	21 Å²	21	62.7 Å²	62.7	8%	0.082	32%	0.319	C	S	.	.	S	Bend	trans	-56.8	-53.2	179.2	172	-121.9	0	0	0	110.9	F48 G50 K76 G82	F48-Y53 HydrophobicContact CB-CD1 4.43Å; F48-Y53 HydrophobicContact CB-CE1 4.3Å; F48-Y53 HydrophobicContact CD1-CD1 4.3Å; F48-Y53 AromaticContact CD1-CE1 3.44Å; F48-Y53 HydrophobicContact CD1-CE1 3.44Å; F48-Y53 VanDerWaalsContact CD1-CE1 3.44Å; F48-Y53 AromaticContact CD1-CZ 3.59Å; F48-Y53 HydrophobicContact CE1-CE1 4.22Å; F48-Y53 AromaticContact CE1-CZ 3.91Å; F48-Y53 WeakPolarHBondContact CE1-OH 3.49Å; F48-Y53 HydrophobicContact CG-CE1 4.33Å; G50-Y53 VanDerWaalsContact O-CB 3.32Å; G50-Y53 WeakPolarHBondContact O-CB 3.36Å; G50-Y53 PolarHBondContact O-N 2.82Å; Y53-K76 PolarHBondContact O-NZ 2.96Å; Y53-G82 WeakPolarHBondContact CD2-O 3.36Å; Y53-G82 VanDerWaalsContact CE2-C 3.49Å
54	H	96.7	Very high	97.6	Very high	131 Å²	131	62.4 Å²	62.4	61%	0.606	32%	0.315	S	S	*	.	S	Bend	trans	-89.1	4.1	177.8	-71.2	-54.3	0	0	0	114.7	Y52 K56	Y52-H54 PolarHBondContact O-N 3.31Å; H54-K56 PolarHBondContact O-N 2.91Å
55	N	98.2	Very high	97.6	Very high	27 Å²	27	59.2 Å²	59.2	14%	0.144	30%	0.295	C	S	.	.			trans	-65.7	125.2	-179.3	-172.7	35.9	0	0	0	110.8	Y52 E57 Y61 K76	Y52-N55 HydrophobicContact CD1-CB 4.15Å; Y52-N55 PolarHBondContact O-N 2.89Å; N55-E57 WeakPolarHBondContact OD1-CB 3.19Å; N55-E57 WeakPolarHBondContact OD1-CG 3.3Å; N55-E57 PolarHBondContact OD1-N 3.49Å; N55-Y61 PolarHBondContact ND2-OH 3.23Å; N55-K76 WeakPolarHBondContact O-CE 3.33Å; N55-K76 PolarHBondContact O-NZ 3.3Å
56	K	96.8	Very high	97.4	Very high	185 Å²	185	59.1 Å²	59.1	80%	0.804	30%	0.296	S	S	*	.			trans	-121.3	3.7	178.2	-66.6	-178.2	-178.3	-179.6	0	112.6	H54	H54-K56 PolarHBondContact O-N 2.91Å
57	E	98.3	Very high	97.3	Very high	86 Å²	86	58.4 Å²	58.4	40%	0.402	29%	0.294	S	S	.	.			trans	-64.6	148	178.5	-64.8	-68.3	102.6	0	0	111.2	N55 S73 F150 K152	N55-E57 WeakPolarHBondContact OD1-CB 3.19Å; N55-E57 WeakPolarHBondContact OD1-CG 3.3Å; N55-E57 PolarHBondContact OD1-N 3.49Å; E57-S73 VanDerWaalsContact O-CB 3.25Å; E57-S73 WeakPolarHBondContact O-CB 3.31Å; E57-F150 HydrophobicContact CB-CE1 3.69Å; E57-F150 HydrophobicContact CB-CZ 3.8Å; E57-F150 WeakPolarHBondContact O-CZ 3.32Å; E57-K152 WeakPolarHBondContact OE2-CE 3.4Å; E57-K152 IonicContact OE2-NZ 3.32Å; E57-K152 PolarHBondContact OE2-NZ 2.77Å
58	K	98.5	Very high	97.2	Very high	168 Å²	168	56.7 Å²	56.7	73%	0.73	28%	0.283	S	S	*	.	S	Bend	trans	-75.1	133.2	173.6	-68.2	-175.6	-179.1	178.6	0	110.3	S73 A153	K58-S73 WeakPolarHBondContact CA-OG 3.36Å; K58-A153 HydrophobicContact CB-CB 4.3Å; K58-A153 PolarHBondContact O-N 3.37Å
59	G	98.5	Very high	97.2	Very high	8 Å²	8	52.8 Å²	52.8	8%	0.082	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-161	-179.2	0	0	0	0	0	113.9	S73 K151	G59-S73 PolarHBondContact N-OG 3.41Å; G59-S73 WeakPolarHBondContact O-CB 3.45Å; G59-S73 PolarHBondContact O-N 3.19Å; G59-S73 PolarHBondContact O-OG 3.39Å; G59-K151 CarbonylContact C-O 3.53Å; G59-K151 WeakPolarHBondContact CA-O 3.39Å
60	E	98.5	Very high	97.3	Very high	57 Å²	57	48.4 Å²	48.4	27%	0.266	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.2	-172.2	-52.8	177.2	137.6	0	0	109.9	L62 K69 F150 K151	E60-L62 HydrophobicContact CB-CD2 4.06Å; E60-K69 HydrophobicContact CB-CD 4.34Å; E60-K69 HydrophobicContact CB-CG 4.48Å; E60-K69 HydrophobicContact CG-CD 4.24Å; E60-K69 WeakPolarHBondContact OE1-CE 3.41Å; E60-K69 IonicContact OE1-NZ 2.76Å; E60-K69 PolarHBondContact OE1-NZ 3.24Å; E60-F150 WeakPolarHBondContact O-CD2 3.47Å; E60-K151 PolarHBondContact N-O 2.81Å; E60-K151 PolarHBondContact O-N 2.83Å; E60-K151 IonicContact OE2-NZ 3.94Å
61	Y	98.8	Very high	97.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.2	171.8	-65.9	-89.5	0	0	0	109.3	Y52 N55 L70 F71 K76 F86 L148 S149 F150	Y52-Y61 HydrophobicContact CD1-CE1 4.25Å; Y52-Y61 HydrophobicContact CD2-CE1 4.38Å; Y52-Y61 HydrophobicContact CG-CD1 4.46Å; Y52-Y61 AromaticContact CG-CE1 3.89Å; Y52-Y61 HydrophobicContact CG-CE1 3.89Å; N55-Y61 PolarHBondContact ND2-OH 3.23Å; Y61-L70 PolarHBondContact O-N 3.29Å; Y61-F71 HydrophobicContact CD2-CB 4.42Å; Y61-F71 PolarHBondContact N-O 2.87Å; Y61-F71 PolarHBondContact O-N 2.84Å; Y61-K76 HydrophobicContact CE2-CD 4.02Å; Y61-K76 WeakPolarHBondContact OH-CD 3.27Å; Y61-F86 HydrophobicContact CD1-CZ 4.2Å; Y61-F86 AromaticContact CD2-CE1 3.47Å; Y61-F86 HydrophobicContact CD2-CE1 3.47Å; Y61-F86 VanDerWaalsContact CD2-CE1 3.47Å; Y61-F86 AromaticContact CD2-CZ 3.55Å; Y61-F86 HydrophobicContact CD2-CZ 3.55Å; Y61-F86 HydrophobicContact CE1-CZ 4.32Å; Y61-F86 AromaticContact CE2-CE1 3.56Å; Y61-F86 HydrophobicContact CE2-CE1 3.56Å; Y61-F86 AromaticContact CE2-CZ 3.69Å; Y61-F86 HydrophobicContact CE2-CZ 3.69Å; Y61-F86 HydrophobicContact CG-CE1 4.18Å; Y61-F86 AromaticContact CG-CZ 3.81Å; Y61-F86 HydrophobicContact CG-CZ 3.81Å; Y61-L148 HydrophobicContact CD1-CB 4.41Å; Y61-L148 HydrophobicContact CD1-CD1 3.85Å; Y61-L148 HydrophobicContact CG-CD1 4.38Å; Y61-S149 WeakPolarHBondContact CA-O 3.35Å; Y61-F150 HydrophobicContact CD1-CB 4.46Å; Y61-F150 AromaticContact CD1-CD2 3.79Å; Y61-F150 HydrophobicContact CD1-CD2 3.79Å; Y61-F150 HydrophobicContact CD2-CD2 4.13Å; Y61-F150 HydrophobicContact CD2-CE2 4.27Å; Y61-F150 HydrophobicContact CE1-CB 4.41Å; Y61-F150 AromaticContact CE1-CD2 3.55Å; Y61-F150 HydrophobicContact CE1-CD2 3.55Å; Y61-F150 HydrophobicContact CE1-CE2 4.21Å; Y61-F150 HydrophobicContact CE1-CG 4.29Å; Y61-F150 AromaticContact CE2-CD2 3.91Å; Y61-F150 HydrophobicContact CE2-CD2 3.91Å; Y61-F150 AromaticContact CE2-CE2 3.81Å; Y61-F150 HydrophobicContact CE2-CE2 3.81Å; Y61-F150 HydrophobicContact CG-CD2 4.09Å; Y61-F150 AromaticContact CZ-CD2 3.64Å; Y61-F150 AromaticContact CZ-CE2 3.79Å
62	L	98.4	Very high	97.5	Very high	30 Å²	30	42.4 Å²	42.4	16%	0.157	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	152.2	-176	-45.1	179.8	0	0	0	109.7	E60 V64 S68 K69 L148 S149 K151	E60-L62 HydrophobicContact CB-CD2 4.06Å; L62-V64 PolarHBondContact O-N 3.46Å; L62-S68 CarbonylContact C-O 3.56Å; L62-S68 VanDerWaalsContact CA-O 3.31Å; L62-S68 WeakPolarHBondContact CA-O 3.41Å; L62-K69 HydrophobicContact CD2-CB 3.81Å; L62-K69 HydrophobicContact CD2-CG 3.98Å; L62-L148 CarbonylContact O-C 3.55Å; L62-L148 WeakPolarHBondContact O-CA 3.31Å; L62-S149 PolarHBondContact N-O 3.17Å; L62-S149 PolarHBondContact O-N 3.08Å; L62-S149 PolarHBondContact O-OG 3.45Å; L62-K151 HydrophobicContact CD1-CB 4.15Å
63	C	97.8	Very high	97.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	124.8	171.5	-178.8	0	0	0	0	110.1	C65 G67 S68 L70 C119 C122	C63-C65 PolarHBondContact O-N 3.23Å; C63-C65 VanDerWaalsContact O-N 3.16Å; C63-G67 VanDerWaalsContact O-CA 3.3Å; C63-G67 WeakPolarHBondContact O-CA 3.12Å; C63-G67 PolarHBondContact O-N 3.08Å; C63-S68 PolarHBondContact N-O 3.23Å; C63-L70 HydrophobicContact CB-CD1 3.77Å; C63-L70 HydrophobicContact CB-CD2 4.4Å; C63-L70 HydrophobicContact CB-CG 4.15Å; C63-C119 HydrophobicContact CB-CB 4.45Å; C63-C122 VanDerWaalsContact SG-SG 3.64Å
64	V	96.3	Very high	97.4	Very high	6 Å²	6	45.6 Å²	45.6	4%	0.036	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.7	179	75.5	0	0	0	0	112.8	L31 Q35 A39 L62 A146 S147	L31-V64 HydrophobicContact CD2-CG1 4.12Å; L31-V64 HydrophobicContact CD2-CG2 4.41Å; Q35-V64 HydrophobicContact CG-CG2 4.14Å; A39-V64 HydrophobicContact CB-CG1 4.45Å; L62-V64 PolarHBondContact O-N 3.46Å; V64-A146 WeakPolarHBondContact CG1-O 3.47Å; V64-S147 PolarHBondContact N-O 2.84Å
65	C	95.2	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-50.2	-176.2	-64.3	0	0	0	0	112.5	R17 W27 C63 A124	R17-C65 CarbonylContact C-O 3.58Å; W27-C65 HydrophobicContact CE3-CB 4.37Å; W27-C65 HydrophobicContact CH2-CB 3.61Å; W27-C65 HydrophobicContact CZ2-CB 4.47Å; W27-C65 HydrophobicContact CZ3-CB 3.55Å; W27-C65 WeakPolarHBondContact CZ3-O 3.46Å; C63-C65 PolarHBondContact O-N 3.23Å; C63-C65 VanDerWaalsContact O-N 3.16Å; C65-A124 HydrophobicContact CB-CB 4.15Å
66	C	94.3	Very high	97.5	Very high	15 Å²	15	39.9 Å²	39.9	10%	0.101	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-5.2	-170.4	68.3	0	0	0	0	115.6	R17 T20 S68 C119 C122	R17-C66 WeakPolarHBondContact O-CA 3.48Å; T20-C66 HydrophobicContact CG2-CB 4.48Å; C66-S68 PolarHBondContact O-N 3.03Å; C66-S68 PolarHBondContact SG-OG 3.01Å; C66-C119 VanDerWaalsContact SG-SG 3.61Å; C66-C122 HydrophobicContact CB-CB 3.95Å
67	G	94.5	Very high	97.5	Very high	39 Å²	39	33.6 Å²	33.6	40%	0.402	18%	0.184	S	C	.	.			trans	76.6	1.4	180	0	0	0	0	0	115.3	C63 K69	C63-G67 VanDerWaalsContact O-CA 3.3Å; C63-G67 WeakPolarHBondContact O-CA 3.12Å; C63-G67 PolarHBondContact O-N 3.08Å; G67-K69 PolarHBondContact O-N 3.15Å
68	S	96.2	Very high	97.4	Very high	21 Å²	21	34.8 Å²	34.8	15%	0.147	19%	0.193	C	C	.	.			trans	-58.2	135.8	174.5	-67	0	0	0	0	111.3	L62 C63 C66 L70	L62-S68 CarbonylContact C-O 3.56Å; L62-S68 VanDerWaalsContact CA-O 3.31Å; L62-S68 WeakPolarHBondContact CA-O 3.41Å; C63-S68 PolarHBondContact N-O 3.23Å; C66-S68 PolarHBondContact O-N 3.03Å; C66-S68 PolarHBondContact SG-OG 3.01Å; S68-L70 PolarHBondContact O-N 2.62Å
69	K	97.8	Very high	97.3	Very high	38 Å²	38	28.6 Å²	28.6	17%	0.165	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	126.2	176.8	-172.3	172.2	176.3	-173.9	0	111.1	E60 L62 G67 D72 H90 N101	E60-K69 HydrophobicContact CB-CD 4.34Å; E60-K69 HydrophobicContact CB-CG 4.48Å; E60-K69 HydrophobicContact CG-CD 4.24Å; E60-K69 WeakPolarHBondContact OE1-CE 3.41Å; E60-K69 IonicContact OE1-NZ 2.76Å; E60-K69 PolarHBondContact OE1-NZ 3.24Å; L62-K69 HydrophobicContact CD2-CB 3.81Å; L62-K69 HydrophobicContact CD2-CG 3.98Å; G67-K69 PolarHBondContact O-N 3.15Å; K69-D72 WeakPolarHBondContact CE-OD1 3.22Å; K69-D72 IonicContact NZ-OD1 3.42Å; K69-D72 PolarHBondContact NZ-OD1 3.09Å; K69-H90 VanDerWaalsContact CE-CE1 3.41Å; K69-H90 WeakPolarHBondContact CE-CE1 3.44Å; K69-H90 VanDerWaalsContact CE-CG 3.48Å; K69-H90 WeakPolarHBondContact CE-ND1 3.32Å; K69-H90 HydrophobicContact CG-CB 4.14Å; K69-H90 PolarHBondContact NZ-CE1 3.34Å; K69-H90 PolarHBondContact NZ-ND1 2.89Å; K69-N101 WeakPolarHBondContact O-CB 3.16Å; K69-N101 PolarHBondContact O-ND2 2.88Å
70	L	98.7	Very high	97.1	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-46.3	-173.4	-60.4	175.3	0	0	0	112.6	Y61 C63 S68 H90 N101 V102 C119 L126 L148	Y61-L70 PolarHBondContact O-N 3.29Å; C63-L70 HydrophobicContact CB-CD1 3.77Å; C63-L70 HydrophobicContact CB-CD2 4.4Å; C63-L70 HydrophobicContact CB-CG 4.15Å; S68-L70 PolarHBondContact O-N 2.62Å; L70-H90 WeakPolarHBondContact O-CB 3.41Å; L70-H90 PolarHBondContact O-N 2.78Å; L70-N101 HydrophobicContact CD2-CB 4.06Å; L70-V102 HydrophobicContact CD2-CG2 3.94Å; L70-C119 HydrophobicContact CD2-CB 4.4Å; L70-L126 HydrophobicContact CD1-CD1 3.79Å; L70-L126 HydrophobicContact CD1-CD2 3.59Å; L70-L126 HydrophobicContact CD1-CG 4.35Å; L70-L126 HydrophobicContact CD2-CD1 4.09Å; L70-L126 HydrophobicContact CG-CD1 4.47Å; L70-L148 HydrophobicContact CD1-CD2 3.77Å
71	F	98.8	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.4	-176.9	-53.5	-87.6	0	0	0	111.1	Y61 F86 Q88 V89 V102 I117 Y141 V143 L148	Y61-F71 HydrophobicContact CD2-CB 4.42Å; Y61-F71 PolarHBondContact N-O 2.87Å; Y61-F71 PolarHBondContact O-N 2.84Å; F71-F86 HydrophobicContact CB-CD1 3.55Å; F71-F86 HydrophobicContact CB-CD2 4.28Å; F71-F86 HydrophobicContact CB-CE1 3.57Å; F71-F86 HydrophobicContact CB-CE2 4.32Å; F71-F86 HydrophobicContact CB-CG 3.91Å; F71-F86 HydrophobicContact CB-CZ 3.98Å; F71-F86 HydrophobicContact CD1-CB 3.59Å; F71-F86 HydrophobicContact CD1-CD1 4.07Å; F71-F86 AromaticContact CD1-CD2 3.85Å; F71-F86 HydrophobicContact CD1-CD2 3.85Å; F71-F86 AromaticContact CD1-CG 3.57Å; F71-F86 HydrophobicContact CD1-CG 3.57Å; F71-F86 HydrophobicContact CD2-CD2 4.18Å; F71-F86 HydrophobicContact CD2-CE2 4.16Å; F71-F86 HydrophobicContact CD2-CZ 4.5Å; F71-F86 HydrophobicContact CE1-CB 4.02Å; F71-F86 HydrophobicContact CE1-CD2 4.21Å; F71-F86 HydrophobicContact CE1-CG 4.23Å; F71-F86 HydrophobicContact CG-CB 4.3Å; F71-F86 AromaticContact CG-CD1 3.96Å; F71-F86 HydrophobicContact CG-CD1 3.96Å; F71-F86 AromaticContact CG-CD2 3.84Å; F71-F86 HydrophobicContact CG-CD2 3.84Å; F71-F86 HydrophobicContact CG-CE1 4.19Å; F71-F86 HydrophobicContact CG-CE2 4.1Å; F71-F86 AromaticContact CG-CG 3.77Å; F71-F86 HydrophobicContact CG-CG 3.77Å; F71-F86 HydrophobicContact CG-CZ 4.27Å; F71-Q88 WeakPolarHBondContact CD1-O 3.41Å; F71-V89 HydrophobicContact CD1-CB 4.47Å; F71-V89 HydrophobicContact CD1-CG1 4.17Å; F71-V89 HydrophobicContact CE1-CB 4.27Å; F71-V89 HydrophobicContact CE1-CG1 3.5Å; F71-V89 HydrophobicContact CZ-CG1 4.07Å; F71-V102 HydrophobicContact CZ-CG2 4.49Å; F71-I117 HydrophobicContact CZ-CD1 4.14Å; F71-Y141 HydrophobicContact CE1-CD1 4.05Å; F71-Y141 AromaticContact CE1-CG 3.85Å; F71-Y141 HydrophobicContact CE1-CG 3.85Å; F71-Y141 HydrophobicContact CZ-CD1 4.32Å; F71-Y141 HydrophobicContact CZ-CG 4.4Å; F71-V143 HydrophobicContact CE1-CG2 4.44Å; F71-V143 HydrophobicContact CE2-CG1 4.26Å; F71-V143 HydrophobicContact CE2-CG2 3.75Å; F71-V143 HydrophobicContact CZ-CG2 3.66Å; F71-L148 HydrophobicContact CD2-CD2 4.37Å
72	D	98.4	Very high	97	Very high	27 Å²	27	29.4 Å²	29.4	14%	0.144	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	147.6	172.1	-59.6	-81.2	0	0	0	109.5	K69 S74 S75 H90	K69-D72 WeakPolarHBondContact CE-OD1 3.22Å; K69-D72 IonicContact NZ-OD1 3.42Å; K69-D72 PolarHBondContact NZ-OD1 3.09Å; D72-S74 PolarHBondContact O-N 3.16Å; D72-S74 VanDerWaalsContact O-N 3.15Å; D72-S75 PolarHBondContact O-N 3.2Å; D72-S75 PolarHBondContact O-OG 3.27Å; D72-S75 VanDerWaalsContact O-OG 3.07Å; D72-H90 IonicContact OD1-CE1 3.51Å; D72-H90 IonicContact OD1-ND1 2.73Å; D72-H90 PolarHBondContact OD1-ND1 3.38Å; D72-H90 IonicContact OD2-CE1 2.79Å; D72-H90 IonicContact OD2-CG 2.77Å; D72-H90 IonicContact OD2-ND1 3.18Å; D72-H90 PolarHBondContact OD2-ND1 2.64Å
73	S	98.3	Very high	97	Very high	31 Å²	31	30.8 Å²	30.8	22%	0.217	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-58.7	-27.7	174.9	63.7	0	0	0	0	112.9	E57 K58 G59 S75 K76	E57-S73 VanDerWaalsContact O-CB 3.25Å; E57-S73 WeakPolarHBondContact O-CB 3.31Å; K58-S73 WeakPolarHBondContact CA-OG 3.36Å; G59-S73 PolarHBondContact N-OG 3.41Å; G59-S73 WeakPolarHBondContact O-CB 3.45Å; G59-S73 PolarHBondContact O-N 3.19Å; G59-S73 PolarHBondContact O-OG 3.39Å; S73-S75 PolarHBondContact O-N 3.09Å; S73-K76 WeakPolarHBondContact O-CB 3.46Å; S73-K76 PolarHBondContact O-N 3.47Å
74	S	97.1	Very high	97	Very high	86 Å²	86	30.8 Å²	30.8	60%	0.601	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-66	-24.1	177	54.9	0	0	0	0	113.2	D72 Y87	D72-S74 PolarHBondContact O-N 3.16Å; D72-S74 VanDerWaalsContact O-N 3.15Å; S74-Y87 PolarHBondContact O-OH 2.76Å
75	S	97.5	Very high	97.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-90.6	-6.7	175.1	70.2	0	0	0	0	114.1	D72 S73 F86 Y87 Q88	D72-S75 PolarHBondContact O-N 3.2Å; D72-S75 PolarHBondContact O-OG 3.27Å; D72-S75 VanDerWaalsContact O-OG 3.07Å; S73-S75 PolarHBondContact O-N 3.09Å; S75-F86 CarbonylContact O-C 3.5Å; S75-F86 VanDerWaalsContact O-CA 3.23Å; S75-F86 WeakPolarHBondContact O-CA 3.25Å; S75-Y87 WeakPolarHBondContact O-CD1 2.98Å; S75-Y87 WeakPolarHBondContact O-CE1 3.21Å; S75-Y87 PolarHBondContact O-N 2.85Å; S75-Q88 VanDerWaalsContact CB-CG 3.46Å; S75-Q88 PolarHBondContact OG-O 3.21Å
76	K	98.3	Very high	97.3	Very high	38 Å²	38	30.5 Å²	30.5	17%	0.165	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.8	-179.8	-164.4	170.9	179.2	-76.3	0	110.7	Y52 Y53 N55 Y61 S73 S85 F86	Y52-K76 WeakPolarHBondContact O-CE 3.21Å; Y52-K76 PolarHBondContact O-NZ 3.46Å; Y53-K76 PolarHBondContact O-NZ 2.96Å; N55-K76 WeakPolarHBondContact O-CE 3.33Å; N55-K76 PolarHBondContact O-NZ 3.3Å; Y61-K76 HydrophobicContact CE2-CD 4.02Å; Y61-K76 WeakPolarHBondContact OH-CD 3.27Å; S73-K76 WeakPolarHBondContact O-CB 3.46Å; S73-K76 PolarHBondContact O-N 3.47Å; K76-S85 WeakPolarHBondContact CA-O 3.21Å; K76-S85 WeakPolarHBondContact CG-O 3.31Å; K76-F86 HydrophobicContact CB-CD1 3.67Å; K76-F86 HydrophobicContact CB-CE1 3.54Å; K76-F86 HydrophobicContact CB-CZ 4.36Å; K76-F86 HydrophobicContact CD-CE1 3.91Å; K76-F86 HydrophobicContact CD-CZ 3.94Å; K76-F86 HydrophobicContact CG-CD1 4.1Å; K76-F86 HydrophobicContact CG-CE1 3.78Å; K76-F86 HydrophobicContact CG-CZ 4.1Å
77	F	97.4	Very high	97.5	Very high	53 Å²	53	32.4 Å²	32.4	23%	0.232	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	165.1	174.9	71.1	-80.7	0	0	0	110.9	S85 F86 Y87 P134 R140	F77-S85 PolarHBondContact N-O 2.86Å; F77-F86 VanDerWaalsContact CE1-C 3.49Å; F77-Y87 HydrophobicContact CD1-CD1 4.16Å; F77-P134 HydrophobicContact CD1-CG 4.17Å; F77-P134 HydrophobicContact CD2-CG 4.34Å; F77-P134 HydrophobicContact CE1-CG 4Å; F77-P134 HydrophobicContact CE2-CG 4.18Å; F77-P134 HydrophobicContact CG-CG 4.33Å; F77-P134 HydrophobicContact CZ-CG 4.01Å; F77-R140 HydrophobicContact CE1-CG 4.38Å; F77-R140 HydrophobicContact CZ-CB 4.14Å; F77-R140 HydrophobicContact CZ-CG 3.76Å
78	D	96.3	Very high	97.6	Very high	111 Å²	111	32.9 Å²	32.9	59%	0.594	19%	0.188	S	C	*	.			trans	-88.4	111.2	173.1	-168.2	-4	0	0	0	109.4	G80	D78-G80 PolarHBondContact OD1-N 2.87Å
79	S	96	Very high	97.7	Very high	38 Å²	38	31.9 Å²	31.9	27%	0.266	18%	0.181	S	C	.	.			trans	-91.7	-9.5	177.4	63	0	0	0	0	113	S81 S85	S79-S81 PolarHBondContact O-N 3.44Å; S79-S81 WeakPolarHBondContact OG-CB 3.48Å; S79-S81 PolarHBondContact OG-N 2.97Å; S79-S81 VanDerWaalsContact OG-N 3.16Å; S79-S81 PolarHBondContact OG-OG 3.34Å; S79-S85 WeakPolarHBondContact CB-OG 3.28Å; S79-S85 WeakPolarHBondContact OG-CB 3.41Å; S79-S85 PolarHBondContact OG-OG 2.84Å
80	G	95.5	Very high	97.8	Very high	50 Å²	50	33.1 Å²	33.1	52%	0.515	19%	0.187	S	C	.	.	S	Bend	trans	69.1	3.3	-168	0	0	0	0	0	114.8	D78 G82	D78-G80 PolarHBondContact OD1-N 2.87Å; G80-G82 VanDerWaalsContact C-N 3.31Å; G80-G82 PolarHBondContact O-N 2.88Å
81	S	96	Very high	97.7	Very high	32 Å²	32	35.7 Å²	35.7	22%	0.224	21%	0.214	C	C	.	.	S	Bend	trans	-75.3	-17.8	-177	73	0	0	0	0	114.1	S79 W83	S79-S81 PolarHBondContact O-N 3.44Å; S79-S81 WeakPolarHBondContact OG-CB 3.48Å; S79-S81 PolarHBondContact OG-N 2.97Å; S79-S81 VanDerWaalsContact OG-N 3.16Å; S79-S81 PolarHBondContact OG-OG 3.34Å; S81-W83 WeakPolarHBondContact O-CZ3 3.36Å; S81-W83 PolarHBondContact OG-N 2.75Å
82	G	97.5	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	91.3	-1.3	-174.6	0	0	0	0	0	115	F48 Y53 G80	F48-G82 WeakPolarHBondContact CA-O 3.39Å; F48-G82 VanDerWaalsContact CD1-CA 3.48Å; F48-G82 PolarHBondContact N-O 2.85Å; Y53-G82 WeakPolarHBondContact CD2-O 3.36Å; Y53-G82 VanDerWaalsContact CE2-C 3.49Å; G80-G82 VanDerWaalsContact C-N 3.31Å; G80-G82 PolarHBondContact O-N 2.88Å
83	W	98.6	Very high	97.4	Very high	59 Å²	59	41.9 Å²	41.9	22%	0.223	25%	0.249	C	C	.	.	S	Bend	trans	-123.5	152.6	174.4	-62.9	-86.4	0	0	0	111.6	T44 E45 P47 S81 S85	T44-W83 HydrophobicContact CG2-CZ2 3.93Å; E45-W83 WeakPolarHBondContact O-CZ2 3.35Å; E45-W83 PolarHBondContact O-NE1 3.07Å; P47-W83 HydrophobicContact CB-CH2 3.78Å; P47-W83 HydrophobicContact CB-CZ2 3.79Å; P47-W83 HydrophobicContact CB-CZ3 4.16Å; P47-W83 HydrophobicContact CG-CH2 4.3Å; P47-W83 HydrophobicContact CG-CZ2 4.31Å; S81-W83 WeakPolarHBondContact O-CZ3 3.36Å; S81-W83 PolarHBondContact OG-N 2.75Å; W83-S85 PolarHBondContact O-N 3.27Å; W83-S85 VanDerWaalsContact O-N 3.13Å; W83-S85 PolarHBondContact O-OG 3.29Å
84	P	98.6	Very high	97.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.257	C	S	.	.			trans	-43.3	123	167.5	-25.5	27.2	0	0	0	111.4	F86 V143 S145	P84-F86 HydrophobicContact CB-CE2 3.88Å; P84-F86 HydrophobicContact CB-CZ 4.44Å; P84-V143 WeakPolarHBondContact CD-O 3.19Å; P84-V143 WeakPolarHBondContact CG-O 3.29Å; P84-V143 PolarHBondContact O-N 3.18Å; P84-S145 WeakPolarHBondContact CG-OG 3.43Å
85	S	98.7	Very high	97.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.8	-176.4	-67.1	0	0	0	0	110.2	K76 F77 S79 W83 Y141	K76-S85 WeakPolarHBondContact CA-O 3.21Å; K76-S85 WeakPolarHBondContact CG-O 3.31Å; F77-S85 PolarHBondContact N-O 2.86Å; S79-S85 WeakPolarHBondContact CB-OG 3.28Å; S79-S85 WeakPolarHBondContact OG-CB 3.41Å; S79-S85 PolarHBondContact OG-OG 2.84Å; W83-S85 PolarHBondContact O-N 3.27Å; W83-S85 VanDerWaalsContact O-N 3.13Å; W83-S85 PolarHBondContact O-OG 3.29Å; S85-Y141 VanDerWaalsContact CA-O 3.29Å; S85-Y141 WeakPolarHBondContact CA-O 3.38Å
86	F	98.7	Very high	97	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.8	179.8	-55.5	-96.2	0	0	0	109.7	Y61 F71 S75 K76 F77 P84 Y141 V143 L148	Y61-F86 HydrophobicContact CD1-CZ 4.2Å; Y61-F86 AromaticContact CD2-CE1 3.47Å; Y61-F86 HydrophobicContact CD2-CE1 3.47Å; Y61-F86 VanDerWaalsContact CD2-CE1 3.47Å; Y61-F86 AromaticContact CD2-CZ 3.55Å; Y61-F86 HydrophobicContact CD2-CZ 3.55Å; Y61-F86 HydrophobicContact CE1-CZ 4.32Å; Y61-F86 AromaticContact CE2-CE1 3.56Å; Y61-F86 HydrophobicContact CE2-CE1 3.56Å; Y61-F86 AromaticContact CE2-CZ 3.69Å; Y61-F86 HydrophobicContact CE2-CZ 3.69Å; Y61-F86 HydrophobicContact CG-CE1 4.18Å; Y61-F86 AromaticContact CG-CZ 3.81Å; Y61-F86 HydrophobicContact CG-CZ 3.81Å; F71-F86 HydrophobicContact CB-CD1 3.55Å; F71-F86 HydrophobicContact CB-CD2 4.28Å; F71-F86 HydrophobicContact CB-CE1 3.57Å; F71-F86 HydrophobicContact CB-CE2 4.32Å; F71-F86 HydrophobicContact CB-CG 3.91Å; F71-F86 HydrophobicContact CB-CZ 3.98Å; F71-F86 HydrophobicContact CD1-CB 3.59Å; F71-F86 HydrophobicContact CD1-CD1 4.07Å; F71-F86 AromaticContact CD1-CD2 3.85Å; F71-F86 HydrophobicContact CD1-CD2 3.85Å; F71-F86 AromaticContact CD1-CG 3.57Å; F71-F86 HydrophobicContact CD1-CG 3.57Å; F71-F86 HydrophobicContact CD2-CD2 4.18Å; F71-F86 HydrophobicContact CD2-CE2 4.16Å; F71-F86 HydrophobicContact CD2-CZ 4.5Å; F71-F86 HydrophobicContact CE1-CB 4.02Å; F71-F86 HydrophobicContact CE1-CD2 4.21Å; F71-F86 HydrophobicContact CE1-CG 4.23Å; F71-F86 HydrophobicContact CG-CB 4.3Å; F71-F86 AromaticContact CG-CD1 3.96Å; F71-F86 HydrophobicContact CG-CD1 3.96Å; F71-F86 AromaticContact CG-CD2 3.84Å; F71-F86 HydrophobicContact CG-CD2 3.84Å; F71-F86 HydrophobicContact CG-CE1 4.19Å; F71-F86 HydrophobicContact CG-CE2 4.1Å; F71-F86 AromaticContact CG-CG 3.77Å; F71-F86 HydrophobicContact CG-CG 3.77Å; F71-F86 HydrophobicContact CG-CZ 4.27Å; S75-F86 CarbonylContact O-C 3.5Å; S75-F86 VanDerWaalsContact O-CA 3.23Å; S75-F86 WeakPolarHBondContact O-CA 3.25Å; K76-F86 HydrophobicContact CB-CD1 3.67Å; K76-F86 HydrophobicContact CB-CE1 3.54Å; K76-F86 HydrophobicContact CB-CZ 4.36Å; K76-F86 HydrophobicContact CD-CE1 3.91Å; K76-F86 HydrophobicContact CD-CZ 3.94Å; K76-F86 HydrophobicContact CG-CD1 4.1Å; K76-F86 HydrophobicContact CG-CE1 3.78Å; K76-F86 HydrophobicContact CG-CZ 4.1Å; F77-F86 VanDerWaalsContact CE1-C 3.49Å; P84-F86 HydrophobicContact CB-CE2 3.88Å; P84-F86 HydrophobicContact CB-CZ 4.44Å; F86-Y141 PolarHBondContact N-O 3.09Å; F86-Y141 WeakPolarHBondContact O-CD2 3.22Å; F86-Y141 PolarHBondContact O-N 2.84Å; F86-V143 HydrophobicContact CD2-CG2 4.01Å; F86-V143 HydrophobicContact CE2-CB 4.42Å; F86-V143 HydrophobicContact CE2-CG2 4.27Å; F86-L148 HydrophobicContact CE2-CD1 4.34Å
87	Y	98	Very high	96.9	Very high	56 Å²	56	46 Å²	46	22%	0.22	27%	0.265	C	S	.	.	S	Bend	trans	-90.7	-10.7	178.6	66	-103.4	0	0	0	113.7	S74 S75 F77 P134 T137 L139	S74-Y87 PolarHBondContact O-OH 2.76Å; S75-Y87 WeakPolarHBondContact O-CD1 2.98Å; S75-Y87 WeakPolarHBondContact O-CE1 3.21Å; S75-Y87 PolarHBondContact O-N 2.85Å; F77-Y87 HydrophobicContact CD1-CD1 4.16Å; Y87-P134 HydrophobicContact CD1-CG 4.35Å; Y87-P134 HydrophobicContact CG-CG 4.29Å; Y87-T137 PolarHBondContact O-OG1 3.23Å; Y87-L139 VanDerWaalsContact CA-O 3.26Å; Y87-L139 WeakPolarHBondContact CA-O 3.32Å
88	Q	97.9	Very high	96.7	Very high	49 Å²	49	46.4 Å²	46.4	23%	0.229	27%	0.274	C	S	.	.	S	Bend	trans	-155.9	153.8	176.7	66.5	178.2	43.6	0	0	110.7	F71 S75 T137	F71-Q88 WeakPolarHBondContact CD1-O 3.41Å; S75-Q88 VanDerWaalsContact CB-CG 3.46Å; S75-Q88 PolarHBondContact OG-O 3.21Å; Q88-T137 HydrophobicContact CB-CG2 4.34Å
89	V	98.4	Very high	96.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.284	C	S	.	.			trans	-83	161.7	171.1	-64.1	0	0	0	0	110.8	F71 G91 S92 D97 T100 V102 Y141	F71-V89 HydrophobicContact CD1-CB 4.47Å; F71-V89 HydrophobicContact CD1-CG1 4.17Å; F71-V89 HydrophobicContact CE1-CB 4.27Å; F71-V89 HydrophobicContact CE1-CG1 3.5Å; F71-V89 HydrophobicContact CZ-CG1 4.07Å; V89-G91 PolarHBondContact O-N 3.09Å; V89-S92 PolarHBondContact O-N 3.35Å; V89-S92 PolarHBondContact O-OG 2.78Å; V89-D97 HydrophobicContact CG2-CB 4.14Å; V89-D97 VanDerWaalsContact CG2-OD1 3.27Å; V89-D97 WeakPolarHBondContact CG2-OD1 3.47Å; V89-T100 HydrophobicContact CG2-CG2 3.66Å; V89-V102 HydrophobicContact CB-CG2 4.31Å; V89-V102 HydrophobicContact CG1-CB 3.89Å; V89-V102 HydrophobicContact CG1-CG1 4.16Å; V89-V102 HydrophobicContact CG1-CG2 3.73Å; V89-Y141 HydrophobicContact CG1-CD1 3.77Å; V89-Y141 HydrophobicContact CG1-CE1 3.37Å; V89-Y141 HydrophobicContact CG1-CE2 4.33Å; V89-Y141 HydrophobicContact CG1-CG 4.37Å
90	H	98.3	Very high	96.8	Very high	63 Å²	63	47.8 Å²	47.8	29%	0.292	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	125.8	174.7	-178.5	65.2	0	0	0	110.8	K69 L70 D72 T100	K69-H90 VanDerWaalsContact CE-CE1 3.41Å; K69-H90 WeakPolarHBondContact CE-CE1 3.44Å; K69-H90 VanDerWaalsContact CE-CG 3.48Å; K69-H90 WeakPolarHBondContact CE-ND1 3.32Å; K69-H90 HydrophobicContact CG-CB 4.14Å; K69-H90 PolarHBondContact NZ-CE1 3.34Å; K69-H90 PolarHBondContact NZ-ND1 2.89Å; L70-H90 WeakPolarHBondContact O-CB 3.41Å; L70-H90 PolarHBondContact O-N 2.78Å; D72-H90 IonicContact OD1-CE1 3.51Å; D72-H90 IonicContact OD1-ND1 2.73Å; D72-H90 PolarHBondContact OD1-ND1 3.38Å; D72-H90 IonicContact OD2-CE1 2.79Å; D72-H90 IonicContact OD2-CG 2.77Å; D72-H90 IonicContact OD2-ND1 3.18Å; D72-H90 PolarHBondContact OD2-ND1 2.64Å; H90-T100 WeakPolarHBondContact O-CB 3.47Å; H90-T100 WeakPolarHBondContact O-CG2 3.44Å
91	G	96.8	Very high	96.9	Very high	56 Å²	56	48.1 Å²	48.1	58%	0.577	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	4.7	175.7	0	0	0	0	0	115.8	V89	V89-G91 PolarHBondContact O-N 3.09Å
92	S	97	Very high	97	Very high	19 Å²	19	46.7 Å²	46.7	13%	0.133	25%	0.253	C	S	.	.			trans	-69.5	151.4	174.9	51.1	0	0	0	0	112.3	V89 D96	V89-S92 PolarHBondContact O-N 3.35Å; V89-S92 PolarHBondContact O-OG 2.78Å; S92-D96 VanDerWaalsContact CA-O 3.32Å; S92-D96 WeakPolarHBondContact CA-O 3.37Å; S92-D96 VanDerWaalsContact CB-O 3.25Å; S92-D96 WeakPolarHBondContact CB-O 3.24Å
93	N	95.3	Very high	97.1	Very high	138 Å²	138	50.1 Å²	50.1	74%	0.738	27%	0.271	S	S	*	.	B	Isolated β-bridge	trans	-106.7	99.8	166.7	-175.1	18.3	0	0	0	109.8	R95 D96	N93-R95 PolarHBondContact O-N 2.78Å; N93-D96 PolarHBondContact N-O 3.13Å; N93-D96 VanDerWaalsContact N-O 3.16Å; N93-D96 PolarHBondContact O-N 3.01Å; N93-D96 VanDerWaalsContact O-N 3.08Å
94	G	93.1	Very high	97	Very high	38 Å²	38	51.2 Å²	51.2	39%	0.392	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-115.9	-174.5	0	0	0	0	0	111.6	T137	G94-T137 VanDerWaalsContact O-CG2 3.32Å; G94-T137 WeakPolarHBondContact O-CG2 3.17Å
95	R	95.3	Very high	97	Very high	109 Å²	109	54.4 Å²	54.4	41%	0.411	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-3.4	177.3	-66.4	-168.2	171.5	-148.2	-2.4	113.7	N93 R104 E131 T137 L139	N93-R95 PolarHBondContact O-N 2.78Å; R95-R104 PolarHBondContact O-NH2 2.85Å; R95-E131 IonicContact CZ-OE2 3.86Å; R95-E131 IonicContact NH1-OE1 3.37Å; R95-E131 PolarHBondContact NH1-OE1 2.8Å; R95-E131 IonicContact NH1-OE2 2.83Å; R95-E131 PolarHBondContact NH1-OE2 2.99Å; R95-E131 IonicContact NH2-OE2 3.97Å; R95-T137 PolarHBondContact NE-O 2.86Å; R95-T137 PolarHBondContact NH2-O 2.62Å; R95-L139 HydrophobicContact CB-CD1 4.11Å; R95-L139 HydrophobicContact CG-CD1 3.82Å; R95-L139 HydrophobicContact CG-CG 4.2Å
96	D	95.9	Very high	96.9	Very high	85 Å²	85	61.4 Å²	61.4	46%	0.455	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-87.4	114	-178.3	-178	15.2	0	0	0	111.9	S92 N93 S98	S92-D96 VanDerWaalsContact CA-O 3.32Å; S92-D96 WeakPolarHBondContact CA-O 3.37Å; S92-D96 VanDerWaalsContact CB-O 3.25Å; S92-D96 WeakPolarHBondContact CB-O 3.24Å; N93-D96 PolarHBondContact N-O 3.13Å; N93-D96 VanDerWaalsContact N-O 3.16Å; N93-D96 PolarHBondContact O-N 3.01Å; N93-D96 VanDerWaalsContact O-N 3.08Å; D96-S98 WeakPolarHBondContact OD1-CB 3.41Å; D96-S98 PolarHBondContact OD1-N 2.88Å; D96-S98 PolarHBondContact OD1-OG 3.07Å; D96-S98 PolarHBondContact OD2-OG 2.91Å; D96-S98 VanDerWaalsContact OD2-OG 3.09Å
97	D	94.9	Very high	96.8	Very high	11 Å²	11	62.5 Å²	62.5	6%	0.059	33%	0.333	C	S	.	.			trans	-102.7	6	179	-60.3	-8.5	0	0	0	112.3	V89 Q99 T100 R104 K120 Y141	V89-D97 HydrophobicContact CG2-CB 4.14Å; V89-D97 VanDerWaalsContact CG2-OD1 3.27Å; V89-D97 WeakPolarHBondContact CG2-OD1 3.47Å; D97-Q99 PolarHBondContact O-N 3.41Å; D97-Q99 VanDerWaalsContact O-N 3.15Å; D97-T100 HydrophobicContact CB-CG2 4.32Å; D97-T100 WeakPolarHBondContact O-CB 3.38Å; D97-T100 WeakPolarHBondContact O-CG2 3.15Å; D97-T100 PolarHBondContact O-N 3.48Å; D97-T100 PolarHBondContact O-OG1 3.37Å; D97-R104 IonicContact OD1-NH2 3.38Å; D97-R104 PolarHBondContact OD1-NH2 2.93Å; D97-R104 IonicContact OD2-CZ 3.32Å; D97-R104 IonicContact OD2-NE 3.89Å; D97-R104 PolarHBondContact OD2-NE 2.96Å; D97-R104 IonicContact OD2-NH2 3.1Å; D97-R104 PolarHBondContact OD2-NH2 2.88Å; D97-K120 PolarHBondContact O-NZ 3.42Å; D97-Y141 PolarHBondContact OD1-OH 3.17Å; D97-Y141 PolarHBondContact OD2-OH 2.79Å
98	S	94.5	Very high	96.6	Very high	61 Å²	61	64.3 Å²	64.3	43%	0.427	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.8	-170.5	64.4	0	0	0	0	113.5	D96 K120	D96-S98 WeakPolarHBondContact OD1-CB 3.41Å; D96-S98 PolarHBondContact OD1-N 2.88Å; D96-S98 PolarHBondContact OD1-OG 3.07Å; D96-S98 PolarHBondContact OD2-OG 2.91Å; D96-S98 VanDerWaalsContact OD2-OG 3.09Å; S98-K120 PolarHBondContact O-NZ 2.98Å
99	Q	95.7	Very high	96.1	Very high	171 Å²	171	64.6 Å²	64.6	80%	0.799	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	10.7	179.6	-59.3	-56.9	-52.5	0	0	114.3	D97	D97-Q99 PolarHBondContact O-N 3.41Å; D97-Q99 VanDerWaalsContact O-N 3.15Å
100	T	98.1	Very high	95.5	Very high	7 Å²	7	71 Å²	71	4%	0.043	39%	0.387	C	S	.	.	S	Bend	trans	-101.9	177.5	-174.7	77.9	0	0	0	0	112	V89 H90 D97 V102 K120	V89-T100 HydrophobicContact CG2-CG2 3.66Å; H90-T100 WeakPolarHBondContact O-CB 3.47Å; H90-T100 WeakPolarHBondContact O-CG2 3.44Å; D97-T100 HydrophobicContact CB-CG2 4.32Å; D97-T100 WeakPolarHBondContact O-CB 3.38Å; D97-T100 WeakPolarHBondContact O-CG2 3.15Å; D97-T100 PolarHBondContact O-N 3.48Å; D97-T100 PolarHBondContact O-OG1 3.37Å; T100-V102 VanDerWaalsContact C-N 3.27Å; T100-V102 PolarHBondContact O-N 3.15Å; T100-V102 PolarHBondContact OG1-N 3.19Å; T100-V102 PolarHBondContact OG1-O 3.07Å; T100-K120 WeakPolarHBondContact O-CD 3.43Å; T100-K120 VanDerWaalsContact O-CE 3.26Å; T100-K120 WeakPolarHBondContact O-CE 3.13Å; T100-K120 PolarHBondContact O-NZ 2.95Å
101	N	98.2	Very high	95	Very high	57 Å²	57	76.1 Å²	76.1	31%	0.305	42%	0.416	S	S	.	.	S	Bend	trans	-86.9	8.3	174.2	-66.6	-46.9	0	0	0	113.8	K69 L70 C119 K120	K69-N101 WeakPolarHBondContact O-CB 3.16Å; K69-N101 PolarHBondContact O-ND2 2.88Å; L70-N101 HydrophobicContact CD2-CB 4.06Å; N101-C119 CarbonylContact O-C 3.54Å; N101-C119 WeakPolarHBondContact O-CA 3.44Å; N101-K120 WeakPolarHBondContact O-CB 3.36Å; N101-K120 PolarHBondContact O-N 3.03Å
102	V	98.7	Very high	94.6	Very high	2 Å²	2	78 Å²	78	1%	0.012	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.4	177.1	176.8	0	0	0	0	109.4	L70 F71 V89 T100 I117 S118 K120 L126	L70-V102 HydrophobicContact CD2-CG2 3.94Å; F71-V102 HydrophobicContact CZ-CG2 4.49Å; V89-V102 HydrophobicContact CB-CG2 4.31Å; V89-V102 HydrophobicContact CG1-CB 3.89Å; V89-V102 HydrophobicContact CG1-CG1 4.16Å; V89-V102 HydrophobicContact CG1-CG2 3.73Å; T100-V102 VanDerWaalsContact C-N 3.27Å; T100-V102 PolarHBondContact O-N 3.15Å; T100-V102 PolarHBondContact OG1-N 3.19Å; T100-V102 PolarHBondContact OG1-O 3.07Å; V102-I117 HydrophobicContact CG1-CB 3.81Å; V102-I117 HydrophobicContact CG1-CG2 3.86Å; V102-S118 WeakPolarHBondContact CA-O 3.46Å; V102-K120 WeakPolarHBondContact O-CE 3.38Å; V102-L126 HydrophobicContact CG2-CD1 4.03Å
103	I	98.2	Very high	94.4	Very high	72 Å²	72	85.5 Å²	85.5	37%	0.369	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.7	169.5	-172.6	167.7	0	0	0	109.2	I117 S118 K120	I103-I117 WeakPolarHBondContact O-CA 3.3Å; I103-S118 WeakPolarHBondContact CG2-OG 3.38Å; I103-S118 PolarHBondContact N-O 3.39Å; I103-S118 PolarHBondContact O-N 2.74Å; I103-K120 HydrophobicContact CB-CB 4.42Å
104	R	97.8	Very high	94.4	Very high	82 Å²	82	81.8 Å²	81.8	31%	0.309	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.2	175.3	-66	-176.2	-163.5	172.2	14.6	109.1	R95 D97 I115 E116 I117 V129 Y141	R95-R104 PolarHBondContact O-NH2 2.85Å; D97-R104 IonicContact OD1-NH2 3.38Å; D97-R104 PolarHBondContact OD1-NH2 2.93Å; D97-R104 IonicContact OD2-CZ 3.32Å; D97-R104 IonicContact OD2-NE 3.89Å; D97-R104 PolarHBondContact OD2-NE 2.96Å; D97-R104 IonicContact OD2-NH2 3.1Å; D97-R104 PolarHBondContact OD2-NH2 2.88Å; R104-I115 HydrophobicContact CB-CG2 3.6Å; R104-I115 HydrophobicContact CG-CG2 4.01Å; R104-E116 CarbonylContact C-O 3.39Å; R104-E116 WeakPolarHBondContact CA-O 3.46Å; R104-I117 HydrophobicContact CG-CG2 4.09Å; R104-V129 HydrophobicContact CG-CG1 4.27Å; R104-Y141 PolarHBondContact NH2-OH 3.38Å
105	T	97.6	Very high	94.6	Very high	67 Å²	67	82.8 Å²	82.8	41%	0.411	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.1	177.4	-54.7	0	0	0	0	109.1	D107 I115 E116	T105-D107 PolarHBondContact O-N 3.36Å; T105-I115 CarbonylContact O-C 3.55Å; T105-I115 WeakPolarHBondContact O-CA 3.41Å; T105-E116 PolarHBondContact N-O 2.72Å; T105-E116 PolarHBondContact O-N 2.98Å
106	E	97.1	Very high	94.8	Very high	147 Å²	147	78 Å²	78	69%	0.687	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	130.5	174	-68.3	177.2	-172.6	0	0	110.1	I115	E106-I115 HydrophobicContact CG-CD1 4.07Å
107	D	96.4	Very high	94.9	Very high	22 Å²	22	74 Å²	74	12%	0.118	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	102.2	174.4	173.9	21.5	0	0	0	107.9	T105 S109 R114 E116 H128	T105-D107 PolarHBondContact O-N 3.36Å; D107-S109 WeakPolarHBondContact OD1-CB 3.42Å; D107-S109 PolarHBondContact OD1-N 2.71Å; D107-S109 PolarHBondContact OD1-OG 3.3Å; D107-S109 PolarHBondContact OD2-OG 3Å; D107-R114 HydrophobicContact CB-CB 4.45Å; D107-R114 PolarHBondContact N-O 2.76Å; D107-R114 PolarHBondContact O-N 3.27Å; D107-R114 IonicContact OD2-CZ 2.65Å; D107-R114 IonicContact OD2-NE 3.27Å; D107-R114 IonicContact OD2-NH2 2.75Å; D107-R114 PolarHBondContact OD2-NH2 3.01Å; D107-E116 HydrophobicContact CB-CB 3.99Å; D107-H128 IonicContact OD2-CD2 3.7Å; D107-H128 IonicContact OD2-CE1 3.59Å; D107-H128 IonicContact OD2-NE2 2.67Å; D107-H128 PolarHBondContact OD2-NE2 3.01Å
108	N	92.8	Very high	95.1	Very high	95 Å²	95	74.1 Å²	74.1	51%	0.508	38%	0.382	S	S	.	.			trans	-99.2	18.2	177.3	-61.4	-51.4	0	0	0	111.8	L112	N108-L112 WeakPolarHBondContact CA-O 3.34Å
109	S	88.4	Confident	95.2	Very high	54 Å²	54	71.2 Å²	71.2	38%	0.378	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-69.1	157.9	174.5	66.5	0	0	0	0	111.5	D107 D111 L112	D107-S109 WeakPolarHBondContact OD1-CB 3.42Å; D107-S109 PolarHBondContact OD1-N 2.71Å; D107-S109 PolarHBondContact OD1-OG 3.3Å; D107-S109 PolarHBondContact OD2-OG 3Å; S109-D111 PolarHBondContact O-N 2.71Å; S109-D111 VanDerWaalsContact O-N 3.15Å; S109-L112 PolarHBondContact O-N 2.82Å; S109-L112 VanDerWaalsContact O-N 3.17Å
110	L	86.1	Confident	95.3	Very high	136 Å²	136	67.3 Å²	67.3	71%	0.712	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	58.4	24.4	178.3	-52.4	177.2	0	0	0	114.1	L112	L110-L112 PolarHBondContact O-N 3.47Å; L110-L112 VanDerWaalsContact O-N 3.17Å
111	D	86.4	Confident	95.1	Very high	169 Å²	169	72 Å²	72	90%	0.904	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	57.8	25	-176.6	-54.7	-52.4	0	0	0	113.8	S109	S109-D111 PolarHBondContact O-N 2.71Å; S109-D111 VanDerWaalsContact O-N 3.15Å
112	L	88.7	Confident	95	Very high	95 Å²	95	69.9 Å²	69.9	50%	0.497	35%	0.353	S	S	.	.			trans	-113.4	136.4	176	-62.5	175.8	0	0	0	109.8	N108 S109 L110 R114	N108-L112 WeakPolarHBondContact CA-O 3.34Å; S109-L112 PolarHBondContact O-N 2.82Å; S109-L112 VanDerWaalsContact O-N 3.17Å; L110-L112 PolarHBondContact O-N 3.47Å; L110-L112 VanDerWaalsContact O-N 3.17Å; L112-R114 HydrophobicContact CB-CG 4.07Å; L112-R114 PolarHBondContact O-N 2.93Å
113	M	92.3	Very high	94.8	Very high	177 Å²	177	72 Å²	72	87%	0.872	38%	0.375	S	S	*	.			trans	-87.4	106.7	170	-68.4	-173.9	-69.9	0	0	109.3
114	R	95.8	Very high	94.8	Very high	60 Å²	60	68.5 Å²	68.5	23%	0.226	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	166.3	178.5	-56.4	-176.3	-61.7	167.4	1.1	110.4	D107 L112 H128	D107-R114 HydrophobicContact CB-CB 4.45Å; D107-R114 PolarHBondContact N-O 2.76Å; D107-R114 PolarHBondContact O-N 3.27Å; D107-R114 IonicContact OD2-CZ 2.65Å; D107-R114 IonicContact OD2-NE 3.27Å; D107-R114 IonicContact OD2-NH2 2.75Å; D107-R114 PolarHBondContact OD2-NH2 3.01Å; L112-R114 HydrophobicContact CB-CG 4.07Å; L112-R114 PolarHBondContact O-N 2.93Å; R114-H128 VanDerWaalsContact CZ-CE1 3.48Å; R114-H128 PolarHBondContact NH1-CE1 3.35Å; R114-H128 PolarHBondContact NH2-CE1 2.57Å; R114-H128 PolarHBondContact NH2-NE2 3.4Å
115	I	98	Very high	94.8	Very high	60 Å²	60	64.8 Å²	64.8	31%	0.308	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	106.2	172.1	-56	-60.1	0	0	0	108.2	R104 T105 E106 H128 V129	R104-I115 HydrophobicContact CB-CG2 3.6Å; R104-I115 HydrophobicContact CG-CG2 4.01Å; T105-I115 CarbonylContact O-C 3.55Å; T105-I115 WeakPolarHBondContact O-CA 3.41Å; E106-I115 HydrophobicContact CG-CD1 4.07Å; I115-H128 CarbonylContact O-C 3.57Å; I115-H128 WeakPolarHBondContact O-CA 3.37Å; I115-H128 WeakPolarHBondContact O-CB 3.42Å; I115-H128 PolarHBondContact O-CD2 2.73Å; I115-V129 HydrophobicContact CB-CG1 3.78Å; I115-V129 HydrophobicContact CG2-CG1 3.59Å; I115-V129 PolarHBondContact O-N 2.98Å
116	E	98.4	Very high	94.9	Very high	9 Å²	9	61.6 Å²	61.6	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	139.1	171.2	178.1	179.1	-165.9	0	0	109.3	K42 R104 T105 D107 H125 G127	K42-E116 WeakPolarHBondContact CE-OE1 3.34Å; K42-E116 IonicContact NZ-OE1 2.81Å; K42-E116 IonicContact NZ-OE2 3.23Å; K42-E116 PolarHBondContact NZ-OE2 3.41Å; R104-E116 CarbonylContact C-O 3.39Å; R104-E116 WeakPolarHBondContact CA-O 3.46Å; T105-E116 PolarHBondContact N-O 2.72Å; T105-E116 PolarHBondContact O-N 2.98Å; D107-E116 HydrophobicContact CB-CB 3.99Å; E116-H125 IonicContact OE1-CE1 3.47Å; E116-H125 IonicContact OE1-CG 2.68Å; E116-H125 IonicContact OE1-ND1 2.78Å; E116-H125 PolarHBondContact OE1-ND1 2.84Å; E116-G127 WeakPolarHBondContact CA-O 3.05Å
117	I	98.8	Very high	94.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.5	165.3	49.6	157.2	0	0	0	109.9	F71 V102 I103 R104 L126 G127 V129 Y141 V143	F71-I117 HydrophobicContact CZ-CD1 4.14Å; V102-I117 HydrophobicContact CG1-CB 3.81Å; V102-I117 HydrophobicContact CG1-CG2 3.86Å; I103-I117 WeakPolarHBondContact O-CA 3.3Å; R104-I117 HydrophobicContact CG-CG2 4.09Å; I117-L126 HydrophobicContact CD1-CB 3.99Å; I117-L126 HydrophobicContact CG1-CB 4.11Å; I117-L126 WeakPolarHBondContact O-CB 3.42Å; I117-L126 PolarHBondContact O-N 3.5Å; I117-G127 VanDerWaalsContact CG1-O 3.3Å; I117-G127 WeakPolarHBondContact CG1-O 3.49Å; I117-G127 PolarHBondContact N-O 2.76Å; I117-G127 PolarHBondContact O-N 3.42Å; I117-V129 HydrophobicContact CG2-CB 3.98Å; I117-V129 HydrophobicContact CG2-CG1 3.89Å; I117-Y141 HydrophobicContact CD1-CD1 3.93Å; I117-Y141 HydrophobicContact CG2-CD1 4.05Å; I117-Y141 HydrophobicContact CG2-CE1 4.19Å; I117-V143 HydrophobicContact CD1-CG2 3.87Å
118	S	98.5	Very high	95	Very high	13 Å²	13	54.2 Å²	54.2	9%	0.091	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	159.8	175.3	64.1	0	0	0	0	111.4	V102 I103 K120 A124	V102-S118 WeakPolarHBondContact CA-O 3.46Å; I103-S118 WeakPolarHBondContact CG2-OG 3.38Å; I103-S118 PolarHBondContact N-O 3.39Å; I103-S118 PolarHBondContact O-N 2.74Å; S118-K120 PolarHBondContact O-N 3.23Å; S118-A124 CarbonylContact C-O 3.47Å; S118-A124 WeakPolarHBondContact CA-O 3.39Å; S118-A124 VanDerWaalsContact CB-O 3.29Å; S118-A124 WeakPolarHBondContact CB-O 3.26Å
119	C	98.2	Very high	95.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	117.2	174.3	178.4	0	0	0	0	109.6	C63 C66 L70 N101 Q121 C122 G123 A124	C63-C119 HydrophobicContact CB-CB 4.45Å; C66-C119 VanDerWaalsContact SG-SG 3.61Å; L70-C119 HydrophobicContact CD2-CB 4.4Å; N101-C119 CarbonylContact O-C 3.54Å; N101-C119 WeakPolarHBondContact O-CA 3.44Å; C119-Q121 PolarHBondContact O-N 3.49Å; C119-Q121 VanDerWaalsContact O-N 3.09Å; C119-C122 PolarHBondContact O-N 2.76Å; C119-G123 VanDerWaalsContact O-CA 3.24Å; C119-G123 WeakPolarHBondContact O-CA 3.48Å; C119-G123 PolarHBondContact O-N 2.73Å; C119-A124 HydrophobicContact CB-CB 4.11Å; C119-A124 PolarHBondContact N-O 2.91Å
120	K	96.3	Very high	95.8	Very high	89 Å²	89	50.9 Å²	50.9	39%	0.387	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.5	179.1	-172.8	177.4	-69.4	167.5	0	113	D97 S98 T100 N101 V102 I103 S118	D97-K120 PolarHBondContact O-NZ 3.42Å; S98-K120 PolarHBondContact O-NZ 2.98Å; T100-K120 WeakPolarHBondContact O-CD 3.43Å; T100-K120 VanDerWaalsContact O-CE 3.26Å; T100-K120 WeakPolarHBondContact O-CE 3.13Å; T100-K120 PolarHBondContact O-NZ 2.95Å; N101-K120 WeakPolarHBondContact O-CB 3.36Å; N101-K120 PolarHBondContact O-N 3.03Å; V102-K120 WeakPolarHBondContact O-CE 3.38Å; I103-K120 HydrophobicContact CB-CB 4.42Å; S118-K120 PolarHBondContact O-N 3.23Å
121	Q	94.6	Very high	96.3	Very high	105 Å²	105	51.5 Å²	51.5	49%	0.491	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-31.9	-172.5	-175.9	61.7	-8.4	0	0	113.9	T20 C119	T20-Q121 VanDerWaalsContact CB-O 3.27Å; T20-Q121 WeakPolarHBondContact CB-O 3.48Å; T20-Q121 HydrophobicContact CG2-CG 3.49Å; T20-Q121 VanDerWaalsContact CG2-CG 3.49Å; T20-Q121 WeakPolarHBondContact CG2-O 3.45Å; C119-Q121 PolarHBondContact O-N 3.49Å; C119-Q121 VanDerWaalsContact O-N 3.09Å
122	C	95	Very high	96.8	Very high	14 Å²	14	48.2 Å²	48.2	10%	0.095	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.8	0.4	-176.9	69.2	0	0	0	0	115	W27 R40 C63 C66 C119 A124	W27-C122 HydrophobicContact CZ2-CB 4.47Å; R40-C122 PolarHBondContact NH1-O 3.16Å; C63-C122 VanDerWaalsContact SG-SG 3.64Å; C66-C122 HydrophobicContact CB-CB 3.95Å; C119-C122 PolarHBondContact O-N 2.76Å; C122-A124 PolarHBondContact O-N 3.25Å; C122-A124 VanDerWaalsContact SG-CB 3.58Å
123	G	95.6	Very high	97.1	Very high	45 Å²	45	44.6 Å²	44.6	46%	0.464	23%	0.232	S	C	.	.			trans	69	13.8	-178.6	0	0	0	0	0	114.8	C119 H125	C119-G123 VanDerWaalsContact O-CA 3.24Å; C119-G123 WeakPolarHBondContact O-CA 3.48Å; C119-G123 PolarHBondContact O-N 2.73Å; G123-H125 PolarHBondContact O-N 3.42Å
124	A	97.6	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.			trans	-62.3	127.4	178.3	0	0	0	0	0	110.9	A39 C65 S118 C119 C122 L126	A39-A124 HydrophobicContact CB-CB 4.22Å; A39-A124 CarbonylContact O-C 3.6Å; A39-A124 VanDerWaalsContact O-CA 3.32Å; A39-A124 WeakPolarHBondContact O-CA 3.42Å; C65-A124 HydrophobicContact CB-CB 4.15Å; S118-A124 CarbonylContact C-O 3.47Å; S118-A124 WeakPolarHBondContact CA-O 3.39Å; S118-A124 VanDerWaalsContact CB-O 3.29Å; S118-A124 WeakPolarHBondContact CB-O 3.26Å; C119-A124 HydrophobicContact CB-CB 4.11Å; C119-A124 PolarHBondContact N-O 2.91Å; C122-A124 PolarHBondContact O-N 3.25Å; C122-A124 VanDerWaalsContact SG-CB 3.58Å; A124-L126 PolarHBondContact O-N 3.46Å
125	H	98.4	Very high	97.3	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.019	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	130.6	171.3	175.5	70.9	0	0	0	109.8	V38 A39 K42 G43 E116 G123 G127 H128 S147	V38-H125 WeakPolarHBondContact O-CB 3.46Å; A39-H125 PolarHBondContact O-N 2.97Å; K42-H125 HydrophobicContact CB-CB 4.4Å; K42-H125 HydrophobicContact CG-CB 4.13Å; G43-H125 PolarHBondContact O-CD2 2.86Å; E116-H125 IonicContact OE1-CE1 3.47Å; E116-H125 IonicContact OE1-CG 2.68Å; E116-H125 IonicContact OE1-ND1 2.78Å; E116-H125 PolarHBondContact OE1-ND1 2.84Å; G123-H125 PolarHBondContact O-N 3.42Å; H125-G127 PolarHBondContact CE1-N 2.91Å; H125-H128 AromaticContact CE1-CE1 3.91Å; H125-S147 VanDerWaalsContact O-CB 3.31Å; H125-S147 WeakPolarHBondContact O-CB 3.27Å; H125-S147 PolarHBondContact O-OG 2.93Å
126	L	98.8	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-42.4	177.6	-55.6	177.6	0	0	0	110.8	L70 V102 I117 A124 V143 N144	L70-L126 HydrophobicContact CD1-CD1 3.79Å; L70-L126 HydrophobicContact CD1-CD2 3.59Å; L70-L126 HydrophobicContact CD1-CG 4.35Å; L70-L126 HydrophobicContact CD2-CD1 4.09Å; L70-L126 HydrophobicContact CG-CD1 4.47Å; V102-L126 HydrophobicContact CG2-CD1 4.03Å; I117-L126 HydrophobicContact CD1-CB 3.99Å; I117-L126 HydrophobicContact CG1-CB 4.11Å; I117-L126 WeakPolarHBondContact O-CB 3.42Å; I117-L126 PolarHBondContact O-N 3.5Å; A124-L126 PolarHBondContact O-N 3.46Å; L126-V143 HydrophobicContact CB-CG1 4.11Å; L126-N144 PolarHBondContact O-N 3.47Å; L126-N144 PolarHBondContact O-ND2 3.43Å
127	G	98.6	Very high	96.9	Very high	2 Å²	2	46 Å²	46	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.3	-138.7	-175.6	0	0	0	0	0	110.2	E116 I117 H125 C142	E116-G127 WeakPolarHBondContact CA-O 3.05Å; I117-G127 VanDerWaalsContact CG1-O 3.3Å; I117-G127 WeakPolarHBondContact CG1-O 3.49Å; I117-G127 PolarHBondContact N-O 2.76Å; I117-G127 PolarHBondContact O-N 3.42Å; H125-G127 PolarHBondContact CE1-N 2.91Å; G127-C142 WeakPolarHBondContact CA-O 3.27Å
128	H	98.4	Very high	96.8	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.056	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.4	-177.2	-64.7	81.4	0	0	0	112	D107 R114 I115 H125 F130 C142	D107-H128 IonicContact OD2-CD2 3.7Å; D107-H128 IonicContact OD2-CE1 3.59Å; D107-H128 IonicContact OD2-NE2 2.67Å; D107-H128 PolarHBondContact OD2-NE2 3.01Å; R114-H128 VanDerWaalsContact CZ-CE1 3.48Å; R114-H128 PolarHBondContact NH1-CE1 3.35Å; R114-H128 PolarHBondContact NH2-CE1 2.57Å; R114-H128 PolarHBondContact NH2-NE2 3.4Å; I115-H128 CarbonylContact O-C 3.57Å; I115-H128 WeakPolarHBondContact O-CA 3.37Å; I115-H128 WeakPolarHBondContact O-CB 3.42Å; I115-H128 PolarHBondContact O-CD2 2.73Å; H125-H128 AromaticContact CE1-CE1 3.91Å; H128-F130 HydrophobicContact CB-CE2 3.74Å; H128-F130 HydrophobicContact CB-CZ 3.75Å; H128-C142 PolarHBondContact N-O 2.71Å; H128-C142 PolarHBondContact O-N 3.13Å
129	V	98.5	Very high	96.8	Very high	11 Å²	11	46 Å²	46	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.3	172.4	63.1	0	0	0	0	110.7	R104 I115 I117 L139 R140 Y141	R104-V129 HydrophobicContact CG-CG1 4.27Å; I115-V129 HydrophobicContact CB-CG1 3.78Å; I115-V129 HydrophobicContact CG2-CG1 3.59Å; I115-V129 PolarHBondContact O-N 2.98Å; I117-V129 HydrophobicContact CG2-CB 3.98Å; I117-V129 HydrophobicContact CG2-CG1 3.89Å; V129-L139 HydrophobicContact CG2-CB 4.22Å; V129-L139 HydrophobicContact CG2-CD2 4.28Å; V129-R140 WeakPolarHBondContact CA-O 3.23Å; V129-Y141 HydrophobicContact CB-CD1 3.96Å; V129-Y141 HydrophobicContact CB-CE1 4.13Å; V129-Y141 HydrophobicContact CB-CG 4.44Å; V129-Y141 HydrophobicContact CG2-CD1 3.91Å; V129-Y141 HydrophobicContact CG2-CD2 4.18Å; V129-Y141 HydrophobicContact CG2-CE1 3.87Å; V129-Y141 HydrophobicContact CG2-CE2 4.12Å; V129-Y141 HydrophobicContact CG2-CG 4.09Å
130	F	97.8	Very high	96.8	Very high	67 Å²	67	47.3 Å²	47.3	29%	0.294	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	156.4	-178.4	-56.8	-87.1	0	0	0	110.6	H128 D132 L139 R140 C142	H128-F130 HydrophobicContact CB-CE2 3.74Å; H128-F130 HydrophobicContact CB-CZ 3.75Å; F130-D132 VanDerWaalsContact C-N 3.32Å; F130-D132 VanDerWaalsContact CB-OD1 3.27Å; F130-D132 WeakPolarHBondContact CB-OD1 3.43Å; F130-D132 PolarHBondContact O-N 2.8Å; F130-L139 CarbonylContact O-C 3.15Å; F130-L139 WeakPolarHBondContact O-CA 3.07Å; F130-R140 PolarHBondContact N-O 2.91Å; F130-R140 PolarHBondContact O-N 2.77Å; F130-C142 HydrophobicContact CD2-CB 4.11Å; F130-C142 HydrophobicContact CE2-CB 3.77Å
131	E	96.8	Very high	96.9	Very high	150 Å²	150	43 Å²	43	70%	0.701	24%	0.235	S	C	*	.	S	Bend	trans	-95.1	31.2	179.3	-55.9	-150.2	177.7	0	0	113.9	R95 G138 L139	R95-E131 IonicContact CZ-OE2 3.86Å; R95-E131 IonicContact NH1-OE1 3.37Å; R95-E131 PolarHBondContact NH1-OE1 2.8Å; R95-E131 IonicContact NH1-OE2 2.83Å; R95-E131 PolarHBondContact NH1-OE2 2.99Å; R95-E131 IonicContact NH2-OE2 3.97Å; E131-G138 CarbonylContact C-O 3.5Å; E131-G138 WeakPolarHBondContact CA-O 3.47Å; E131-L139 HydrophobicContact CG-CD2 4.14Å
132	D	97	Very high	97.1	Very high	100 Å²	100	38.8 Å²	38.8	54%	0.535	22%	0.216	S	C	.	.			trans	-116.4	20.9	-178.9	67.5	-10.6	0	0	0	112.5	F130 R140	F130-D132 VanDerWaalsContact C-N 3.32Å; F130-D132 VanDerWaalsContact CB-OD1 3.27Å; F130-D132 WeakPolarHBondContact CB-OD1 3.43Å; F130-D132 PolarHBondContact O-N 2.8Å; D132-R140 VanDerWaalsContact CG-NH2 3.32Å; D132-R140 WeakPolarHBondContact OD1-CB 3.26Å; D132-R140 IonicContact OD1-CZ 3.46Å; D132-R140 VanDerWaalsContact OD1-CZ 3.32Å; D132-R140 IonicContact OD1-NE 3.79Å; D132-R140 PolarHBondContact OD1-NE 3.16Å; D132-R140 IonicContact OD1-NH2 2.71Å; D132-R140 PolarHBondContact OD1-NH2 2.81Å; D132-R140 VanDerWaalsContact OD1-NH2 3.1Å; D132-R140 IonicContact OD2-CZ 3.62Å; D132-R140 IonicContact OD2-NE 2.76Å; D132-R140 PolarHBondContact OD2-NE 2.86Å; D132-R140 IonicContact OD2-NH2 2.71Å; D132-R140 PolarHBondContact OD2-NH2 3.15Å
133	G	96.5	Very high	97.3	Very high	19 Å²	19	38.1 Å²	38.1	20%	0.196	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-83.6	173.8	-179.4	0	0	0	0	0	114.3	G138 L139	G133-G138 PolarHBondContact N-O 3.37Å; G133-G138 VanDerWaalsContact N-O 3.13Å; G133-G138 WeakPolarHBondContact O-CA 3.36Å; G133-L139 WeakPolarHBondContact CA-O 3.29Å
134	P	96.9	Very high	97.5	Very high	51 Å²	51	36.1 Å²	36.1	33%	0.331	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-71.5	163.9	176.2	31.9	-35.9	0	0	0	111.6	F77 Y87 G138	F77-P134 HydrophobicContact CD1-CG 4.17Å; F77-P134 HydrophobicContact CD2-CG 4.34Å; F77-P134 HydrophobicContact CE1-CG 4Å; F77-P134 HydrophobicContact CE2-CG 4.18Å; F77-P134 HydrophobicContact CG-CG 4.33Å; F77-P134 HydrophobicContact CZ-CG 4.01Å; Y87-P134 HydrophobicContact CD1-CG 4.35Å; Y87-P134 HydrophobicContact CG-CG 4.29Å; P134-G138 VanDerWaalsContact O-CA 3.31Å; P134-G138 WeakPolarHBondContact O-CA 3.41Å; P134-G138 PolarHBondContact O-N 2.96Å
135	K	94.9	Very high	97.5	Very high	182 Å²	182	36.3 Å²	36.3	79%	0.791	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	150.8	165.4	-68.9	-63.4	-175	-177.2	0	110
136	P	92.1	Very high	97.5	Very high	96 Å²	96	36.5 Å²	36.5	62%	0.623	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86	-27.9	12.7	32.5	-34.8	0	0	0	114.6
137	T	95.8	Very high	97.5	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.043	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-34.4	-172.1	60.2	0	0	0	0	111.9	Y87 Q88 G94 R95 L139	Y87-T137 PolarHBondContact O-OG1 3.23Å; Q88-T137 HydrophobicContact CB-CG2 4.34Å; G94-T137 VanDerWaalsContact O-CG2 3.32Å; G94-T137 WeakPolarHBondContact O-CG2 3.17Å; R95-T137 PolarHBondContact NE-O 2.86Å; R95-T137 PolarHBondContact NH2-O 2.62Å; T137-L139 PolarHBondContact OG1-N 2.81Å; T137-L139 VanDerWaalsContact OG1-N 3.13Å
138	G	97.3	Very high	97.5	Very high	9 Å²	9	36.6 Å²	36.6	9%	0.093	19%	0.194	C	C	.	.			trans	71.4	13.7	-167.1	0	0	0	0	0	112.9	E131 G133 P134	E131-G138 CarbonylContact C-O 3.5Å; E131-G138 WeakPolarHBondContact CA-O 3.47Å; G133-G138 PolarHBondContact N-O 3.37Å; G133-G138 VanDerWaalsContact N-O 3.13Å; G133-G138 WeakPolarHBondContact O-CA 3.36Å; P134-G138 VanDerWaalsContact O-CA 3.31Å; P134-G138 WeakPolarHBondContact O-CA 3.41Å; P134-G138 PolarHBondContact O-N 2.96Å
139	L	98.4	Very high	97.5	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.203	C	C	.	.			trans	-104.8	145.1	-179.2	-64.4	178.5	0	0	0	110.5	Y87 R95 V129 F130 E131 G133 T137 Y141	Y87-L139 VanDerWaalsContact CA-O 3.26Å; Y87-L139 WeakPolarHBondContact CA-O 3.32Å; R95-L139 HydrophobicContact CB-CD1 4.11Å; R95-L139 HydrophobicContact CG-CD1 3.82Å; R95-L139 HydrophobicContact CG-CG 4.2Å; V129-L139 HydrophobicContact CG2-CB 4.22Å; V129-L139 HydrophobicContact CG2-CD2 4.28Å; F130-L139 CarbonylContact O-C 3.15Å; F130-L139 WeakPolarHBondContact O-CA 3.07Å; E131-L139 HydrophobicContact CG-CD2 4.14Å; G133-L139 WeakPolarHBondContact CA-O 3.29Å; T137-L139 PolarHBondContact OG1-N 2.81Å; T137-L139 VanDerWaalsContact OG1-N 3.13Å; L139-Y141 HydrophobicContact CB-CD2 4.47Å; L139-Y141 HydrophobicContact CB-CE2 3.94Å; L139-Y141 HydrophobicContact CD1-CE2 4.18Å
140	R	98.4	Very high	97.5	Very high	28 Å²	28	39.2 Å²	39.2	11%	0.106	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	109.1	170.7	179.1	172.6	58.8	80.8	1.8	109.3	F77 V129 F130 D132 C142	F77-R140 HydrophobicContact CE1-CG 4.38Å; F77-R140 HydrophobicContact CZ-CB 4.14Å; F77-R140 HydrophobicContact CZ-CG 3.76Å; V129-R140 WeakPolarHBondContact CA-O 3.23Å; F130-R140 PolarHBondContact N-O 2.91Å; F130-R140 PolarHBondContact O-N 2.77Å; D132-R140 VanDerWaalsContact CG-NH2 3.32Å; D132-R140 WeakPolarHBondContact OD1-CB 3.26Å; D132-R140 IonicContact OD1-CZ 3.46Å; D132-R140 VanDerWaalsContact OD1-CZ 3.32Å; D132-R140 IonicContact OD1-NE 3.79Å; D132-R140 PolarHBondContact OD1-NE 3.16Å; D132-R140 IonicContact OD1-NH2 2.71Å; D132-R140 PolarHBondContact OD1-NH2 2.81Å; D132-R140 VanDerWaalsContact OD1-NH2 3.1Å; D132-R140 IonicContact OD2-CZ 3.62Å; D132-R140 IonicContact OD2-NE 2.76Å; D132-R140 PolarHBondContact OD2-NE 2.86Å; D132-R140 IonicContact OD2-NH2 2.71Å; D132-R140 PolarHBondContact OD2-NH2 3.15Å; R140-C142 PolarHBondContact O-N 3.1Å
141	Y	98.7	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	107	168.9	-61.8	-99.9	0	0	0	107.5	F71 S85 F86 V89 D97 R104 I117 V129 L139	F71-Y141 HydrophobicContact CE1-CD1 4.05Å; F71-Y141 AromaticContact CE1-CG 3.85Å; F71-Y141 HydrophobicContact CE1-CG 3.85Å; F71-Y141 HydrophobicContact CZ-CD1 4.32Å; F71-Y141 HydrophobicContact CZ-CG 4.4Å; S85-Y141 VanDerWaalsContact CA-O 3.29Å; S85-Y141 WeakPolarHBondContact CA-O 3.38Å; F86-Y141 PolarHBondContact N-O 3.09Å; F86-Y141 WeakPolarHBondContact O-CD2 3.22Å; F86-Y141 PolarHBondContact O-N 2.84Å; V89-Y141 HydrophobicContact CG1-CD1 3.77Å; V89-Y141 HydrophobicContact CG1-CE1 3.37Å; V89-Y141 HydrophobicContact CG1-CE2 4.33Å; V89-Y141 HydrophobicContact CG1-CG 4.37Å; D97-Y141 PolarHBondContact OD1-OH 3.17Å; D97-Y141 PolarHBondContact OD2-OH 2.79Å; R104-Y141 PolarHBondContact NH2-OH 3.38Å; I117-Y141 HydrophobicContact CD1-CD1 3.93Å; I117-Y141 HydrophobicContact CG2-CD1 4.05Å; I117-Y141 HydrophobicContact CG2-CE1 4.19Å; V129-Y141 HydrophobicContact CB-CD1 3.96Å; V129-Y141 HydrophobicContact CB-CE1 4.13Å; V129-Y141 HydrophobicContact CB-CG 4.44Å; V129-Y141 HydrophobicContact CG2-CD1 3.91Å; V129-Y141 HydrophobicContact CG2-CD2 4.18Å; V129-Y141 HydrophobicContact CG2-CE1 3.87Å; V129-Y141 HydrophobicContact CG2-CE2 4.12Å; V129-Y141 HydrophobicContact CG2-CG 4.09Å; L139-Y141 HydrophobicContact CB-CD2 4.47Å; L139-Y141 HydrophobicContact CB-CE2 3.94Å; L139-Y141 HydrophobicContact CD1-CE2 4.18Å
142	C	98.6	Very high	97.5	Very high	15 Å²	15	40.7 Å²	40.7	10%	0.101	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	112.2	177.7	-162.4	0	0	0	0	108.1	G127 H128 F130 R140	G127-C142 WeakPolarHBondContact CA-O 3.27Å; H128-C142 PolarHBondContact N-O 2.71Å; H128-C142 PolarHBondContact O-N 3.13Å; F130-C142 HydrophobicContact CD2-CB 4.11Å; F130-C142 HydrophobicContact CE2-CB 3.77Å; R140-C142 PolarHBondContact O-N 3.1Å
143	V	98.8	Very high	97.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.5	-163.4	-171	0	0	0	0	110.7	F71 P84 F86 I117 L126 L148	F71-V143 HydrophobicContact CE1-CG2 4.44Å; F71-V143 HydrophobicContact CE2-CG1 4.26Å; F71-V143 HydrophobicContact CE2-CG2 3.75Å; F71-V143 HydrophobicContact CZ-CG2 3.66Å; P84-V143 WeakPolarHBondContact CD-O 3.19Å; P84-V143 WeakPolarHBondContact CG-O 3.29Å; P84-V143 PolarHBondContact O-N 3.18Å; F86-V143 HydrophobicContact CD2-CG2 4.01Å; F86-V143 HydrophobicContact CE2-CB 4.42Å; F86-V143 HydrophobicContact CE2-CG2 4.27Å; I117-V143 HydrophobicContact CD1-CG2 3.87Å; L126-V143 HydrophobicContact CB-CG1 4.11Å; V143-L148 HydrophobicContact CB-CD1 4.43Å; V143-L148 HydrophobicContact CG1-CD1 3.81Å; V143-L148 HydrophobicContact CG1-CD2 4.01Å; V143-L148 HydrophobicContact CG1-CG 3.93Å
144	N	98.8	Very high	97	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.259	C	S	.	.			trans	-73.1	130.1	171.4	-60.7	-83.2	0	0	0	110.4	V38 T44 E45 L126 A146 S147	V38-N144 HydrophobicContact CG1-CB 3.45Å; V38-N144 VanDerWaalsContact CG1-CB 3.45Å; T44-N144 WeakPolarHBondContact CA-OD1 3.34Å; E45-N144 HydrophobicContact CG-CB 4.31Å; E45-N144 PolarHBondContact N-OD1 3.17Å; E45-N144 VanDerWaalsContact OE2-C 3.24Å; E45-N144 VanDerWaalsContact OE2-CA 3.22Å; E45-N144 WeakPolarHBondContact OE2-CA 3.25Å; E45-N144 WeakPolarHBondContact OE2-CB 3.28Å; L126-N144 PolarHBondContact O-N 3.47Å; L126-N144 PolarHBondContact O-ND2 3.43Å; N144-A146 PolarHBondContact O-N 2.66Å; N144-S147 PolarHBondContact O-N 2.88Å; N144-S147 VanDerWaalsContact O-N 3.09Å
145	S	98.7	Very high	97	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.021	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-56.9	-38.8	169.2	-58.6	0	0	0	0	111.5	E45 G50 Y52 P84 S147 L148	E45-S145 WeakPolarHBondContact OE2-CA 3.44Å; E45-S145 PolarHBondContact OE2-N 3.29Å; G50-S145 VanDerWaalsContact C-OG 3.32Å; G50-S145 WeakPolarHBondContact CA-OG 3.07Å; Y52-S145 PolarHBondContact N-OG 3.13Å; P84-S145 WeakPolarHBondContact CG-OG 3.43Å; S145-S147 PolarHBondContact O-N 3.15Å; S145-S147 VanDerWaalsContact O-N 3.09Å; S145-L148 WeakPolarHBondContact O-CA 3.25Å; S145-L148 WeakPolarHBondContact O-CB 3.32Å; S145-L148 PolarHBondContact O-N 2.84Å
146	A	98.4	Very high	97.1	Very high	9 Å²	9	43.4 Å²	43.4	7%	0.074	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-59.9	-18.3	176.4	0	0	0	0	0	114.1	E34 Q35 V38 E45 V64 N144	E34-A146 HydrophobicContact CG-CB 4.08Å; Q35-A146 WeakPolarHBondContact CG-O 3.4Å; V38-A146 HydrophobicContact CB-CB 3.97Å; V38-A146 HydrophobicContact CG1-CB 4.17Å; V38-A146 HydrophobicContact CG2-CB 3.89Å; E45-A146 VanDerWaalsContact CD-N 3.35Å; E45-A146 HydrophobicContact CG-CB 3.94Å; E45-A146 WeakPolarHBondContact OE1-CB 3.09Å; E45-A146 PolarHBondContact OE1-N 2.79Å; E45-A146 VanDerWaalsContact OE1-N 3.15Å; E45-A146 PolarHBondContact OE2-N 2.99Å; V64-A146 WeakPolarHBondContact CG1-O 3.47Å; N144-A146 PolarHBondContact O-N 2.66Å
147	S	98.5	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-91.8	-3.2	174.1	-62.3	0	0	0	0	113.6	V38 V64 H125 N144 S145	V38-S147 VanDerWaalsContact CG1-OG 3.28Å; V38-S147 WeakPolarHBondContact CG1-OG 3.35Å; V64-S147 PolarHBondContact N-O 2.84Å; H125-S147 VanDerWaalsContact O-CB 3.31Å; H125-S147 WeakPolarHBondContact O-CB 3.27Å; H125-S147 PolarHBondContact O-OG 2.93Å; N144-S147 PolarHBondContact O-N 2.88Å; N144-S147 VanDerWaalsContact O-N 3.09Å; S145-S147 PolarHBondContact O-N 3.15Å; S145-S147 VanDerWaalsContact O-N 3.09Å
148	L	98.6	Very high	97.5	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	156.9	-173.6	-60.3	177.3	0	0	0	111.6	Y52 Y61 L62 L70 F71 F86 V143 S145	Y52-L148 HydrophobicContact CD2-CB 3.84Å; Y52-L148 HydrophobicContact CE2-CB 4.02Å; Y61-L148 HydrophobicContact CD1-CB 4.41Å; Y61-L148 HydrophobicContact CD1-CD1 3.85Å; Y61-L148 HydrophobicContact CG-CD1 4.38Å; L62-L148 CarbonylContact O-C 3.55Å; L62-L148 WeakPolarHBondContact O-CA 3.31Å; L70-L148 HydrophobicContact CD1-CD2 3.77Å; F71-L148 HydrophobicContact CD2-CD2 4.37Å; F86-L148 HydrophobicContact CE2-CD1 4.34Å; V143-L148 HydrophobicContact CB-CD1 4.43Å; V143-L148 HydrophobicContact CG1-CD1 3.81Å; V143-L148 HydrophobicContact CG1-CD2 4.01Å; V143-L148 HydrophobicContact CG1-CG 3.93Å; S145-L148 WeakPolarHBondContact O-CA 3.25Å; S145-L148 WeakPolarHBondContact O-CB 3.32Å; S145-L148 PolarHBondContact O-N 2.84Å
149	S	97.9	Very high	97.5	Very high	33 Å²	33	44.6 Å²	44.6	23%	0.231	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.5	158.9	54.7	0	0	0	0	107.5	Y61 L62	Y61-S149 WeakPolarHBondContact CA-O 3.35Å; L62-S149 PolarHBondContact N-O 3.17Å; L62-S149 PolarHBondContact O-N 3.08Å; L62-S149 PolarHBondContact O-OG 3.45Å
150	F	98.5	Very high	97.4	Very high	46 Å²	46	47.4 Å²	47.4	20%	0.202	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.2	-176.2	-175.7	-109.2	0	0	0	111.6	Y52 E57 E60 Y61 K152	Y52-F150 HydrophobicContact CD1-CB 4.13Å; Y52-F150 HydrophobicContact CE1-CB 3.55Å; Y52-F150 HydrophobicContact CE1-CG 4.49Å; Y52-F150 HydrophobicContact CE2-CB 4.47Å; E57-F150 HydrophobicContact CB-CE1 3.69Å; E57-F150 HydrophobicContact CB-CZ 3.8Å; E57-F150 WeakPolarHBondContact O-CZ 3.32Å; E60-F150 WeakPolarHBondContact O-CD2 3.47Å; Y61-F150 HydrophobicContact CD1-CB 4.46Å; Y61-F150 AromaticContact CD1-CD2 3.79Å; Y61-F150 HydrophobicContact CD1-CD2 3.79Å; Y61-F150 HydrophobicContact CD2-CD2 4.13Å; Y61-F150 HydrophobicContact CD2-CE2 4.27Å; Y61-F150 HydrophobicContact CE1-CB 4.41Å; Y61-F150 AromaticContact CE1-CD2 3.55Å; Y61-F150 HydrophobicContact CE1-CD2 3.55Å; Y61-F150 HydrophobicContact CE1-CE2 4.21Å; Y61-F150 HydrophobicContact CE1-CG 4.29Å; Y61-F150 AromaticContact CE2-CD2 3.91Å; Y61-F150 HydrophobicContact CE2-CD2 3.91Å; Y61-F150 AromaticContact CE2-CE2 3.81Å; Y61-F150 HydrophobicContact CE2-CE2 3.81Å; Y61-F150 HydrophobicContact CG-CD2 4.09Å; Y61-F150 AromaticContact CZ-CD2 3.64Å; Y61-F150 AromaticContact CZ-CE2 3.79Å; F150-K152 HydrophobicContact CD1-CB 4.47Å; F150-K152 HydrophobicContact CE1-CB 3.89Å; F150-K152 HydrophobicContact CE1-CG 4.32Å
151	K	97.9	Very high	97.4	Very high	120 Å²	120	48.8 Å²	48.8	52%	0.522	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	107.7	170.1	-176.9	-173.2	171.4	-162.9	0	108.5	G59 E60 L62	G59-K151 CarbonylContact C-O 3.53Å; G59-K151 WeakPolarHBondContact CA-O 3.39Å; E60-K151 PolarHBondContact N-O 2.81Å; E60-K151 PolarHBondContact O-N 2.83Å; E60-K151 IonicContact OE2-NZ 3.94Å; L62-K151 HydrophobicContact CD1-CB 4.15Å
152	K	98.1	Very high	97.3	Very high	128 Å²	128	52.5 Å²	52.5	56%	0.557	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	142	176.8	-169.7	174.3	167.4	161.2	0	110.4	E57 F150	E57-K152 WeakPolarHBondContact OE2-CE 3.4Å; E57-K152 IonicContact OE2-NZ 3.32Å; E57-K152 PolarHBondContact OE2-NZ 2.77Å; F150-K152 HydrophobicContact CD1-CB 4.47Å; F150-K152 HydrophobicContact CE1-CB 3.89Å; F150-K152 HydrophobicContact CE1-CG 4.32Å
153	A	95.2	Very high	97.2	Very high	53 Å²	53	55.7 Å²	55.7	44%	0.438	28%	0.278	S	S	.	.			trans	-68.4	140.7	170.2	0	0	0	0	0	110.1	K58	K58-A153 HydrophobicContact CB-CB 4.3Å; K58-A153 PolarHBondContact O-N 3.37Å
154	E	86.7	Confident	97	Very high	269 Å²	269	60.6 Å²	60.6	100%	1.257	30%	0.303	S	S	*	.			trans	-68.1	0	175.5	-65.6	179.6	170	0	0	112.3

Retrieved 154 of 154 residues in 266.4 ms (Link to these results)

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