A0A077Z0D3_TRITR Loading...

Thiamin pyrophosphokinase 1

AlphaFold DB , UniProt , Accession A0A077Z0D3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 203 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	38.6	Very low	63.3	Low	235 Å²	235	126.5 Å²	126.5	100%	1.158	63%	0.627	S	S	*	*				0	99.9	0	-151.6	176.5	-142.1	0	0	106.8	R3	M1-R3 PolarHBondContact O-N 3.39Å
2	H	50.9	Low	65.4	Low	177 Å²	177	120.9 Å²	120.9	82%	0.819	60%	0.6	S	S	*	*			trans	-64.8	118.3	176.8	-77.9	-78.6	0	0	0	107.9	M4	H2-M4 PolarHBondContact O-N 3.06Å
3	R	55.5	Low	67.5	Low	175 Å²	175	114.7 Å²	114.7	66%	0.66	57%	0.574	S	S	*	*			trans	-71.2	112.5	175.3	-78.2	175.4	173.6	-155.1	8.4	107.4	M1 H5 S6	M1-R3 PolarHBondContact O-N 3.39Å; R3-H5 VanDerWaalsContact CB-CE1 3.41Å; R3-H5 WeakPolarHBondContact CB-CE1 3.2Å; R3-H5 WeakPolarHBondContact CB-NE2 3.41Å; R3-H5 VanDerWaalsContact CD-NE2 3.27Å; R3-H5 WeakPolarHBondContact CD-NE2 3.35Å; R3-H5 VanDerWaalsContact CG-CE1 3.43Å; R3-H5 WeakPolarHBondContact CG-CE1 3.28Å; R3-H5 WeakPolarHBondContact CG-NE2 3.47Å; R3-H5 PolarHBondContact O-N 3.49Å; R3-S6 PolarHBondContact O-N 3.37Å; R3-S6 PolarHBondContact O-OG 3Å
4	M	62.8	Low	69.3	Low	85 Å²	85	116.2 Å²	116.2	42%	0.419	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.2	1.8	175.7	-78.7	-179.9	161.8	0	0	113.9	H2 F9 F30	H2-M4 PolarHBondContact O-N 3.06Å; M4-F9 HydrophobicContact CE-CZ 4.39Å; M4-F9 HydrophobicContact CG-CE2 4.35Å; M4-F9 HydrophobicContact CG-CZ 4.25Å; M4-F30 WeakPolarHBondContact O-CD1 3.38Å; M4-F30 WeakPolarHBondContact O-CE1 3.3Å
5	H	62.8	Low	71	Confident	42 Å²	42	110.7 Å²	110.7	19%	0.194	56%	0.557	C	S	.	*	T	Hydrogen-bonded Turn	trans	-111.1	17.4	178.7	48.6	-88.2	0	0	0	113	R3 E26 S27 F30	R3-H5 VanDerWaalsContact CB-CE1 3.41Å; R3-H5 WeakPolarHBondContact CB-CE1 3.2Å; R3-H5 WeakPolarHBondContact CB-NE2 3.41Å; R3-H5 VanDerWaalsContact CD-NE2 3.27Å; R3-H5 WeakPolarHBondContact CD-NE2 3.35Å; R3-H5 VanDerWaalsContact CG-CE1 3.43Å; R3-H5 WeakPolarHBondContact CG-CE1 3.28Å; R3-H5 WeakPolarHBondContact CG-NE2 3.47Å; R3-H5 PolarHBondContact O-N 3.49Å; H5-E26 HydrophobicContact CB-CG 4.04Å; H5-E26 IonicContact CD2-OE1 2.94Å; H5-E26 PolarHBondContact CD2-OE1 3.19Å; H5-E26 IonicContact CG-OE1 3.47Å; H5-S27 PolarHBondContact ND1-OG 2.98Å; H5-F30 HydrophobicContact CB-CB 4.37Å
6	S	63.9	Low	72.5	Confident	44 Å²	44	105.1 Å²	105.1	31%	0.308	53%	0.531	S	S	.	.	S	Bend	trans	-95.6	142.3	173.8	73.2	0	0	0	0	111.3	R3 N8 F9	R3-S6 PolarHBondContact O-N 3.37Å; R3-S6 PolarHBondContact O-OG 3Å; S6-N8 PolarHBondContact O-N 3.32Å; S6-F9 VanDerWaalsContact O-CB 3.26Å; S6-F9 WeakPolarHBondContact O-CB 3.46Å; S6-F9 PolarHBondContact O-N 3Å
7	E	64.3	Low	73.7	Confident	182 Å²	182	100.5 Å²	100.5	85%	0.85	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18	173.1	-65.1	-168.6	154.2	0	0	113.1	F9	E7-F9 PolarHBondContact O-N 2.85Å
8	N	67.2	Low	74.8	Confident	149 Å²	149	94.9 Å²	94.9	80%	0.797	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-1	174.2	-66.2	-20.3	0	0	0	113.6	S6 S10	S6-N8 PolarHBondContact O-N 3.32Å; N8-S10 PolarHBondContact O-N 2.95Å; N8-S10 VanDerWaalsContact O-N 3.1Å
9	F	69.6	Low	75.7	Confident	46 Å²	46	90.6 Å²	90.6	20%	0.202	46%	0.46	C	S	.	.			trans	-78	93.7	174.7	-164.6	-112.7	0	0	0	109.7	M4 S6 E7 M11 I12 F30 L31	M4-F9 HydrophobicContact CE-CZ 4.39Å; M4-F9 HydrophobicContact CG-CE2 4.35Å; M4-F9 HydrophobicContact CG-CZ 4.25Å; S6-F9 VanDerWaalsContact O-CB 3.26Å; S6-F9 WeakPolarHBondContact O-CB 3.46Å; S6-F9 PolarHBondContact O-N 3Å; E7-F9 PolarHBondContact O-N 2.85Å; F9-M11 WeakPolarHBondContact CE1-O 3.49Å; F9-M11 WeakPolarHBondContact CZ-O 3.24Å; F9-I12 HydrophobicContact CD1-CD1 4.02Å; F9-F30 HydrophobicContact CB-CE1 4.5Å; F9-L31 HydrophobicContact CE1-CD2 4.35Å
10	S	77	Confident	76.5	Confident	110 Å²	110	87.7 Å²	87.7	77%	0.769	45%	0.446	S	S	*	.			trans	-80.2	-17.4	-172	56.8	0	0	0	0	114.8	N8	N8-S10 PolarHBondContact O-N 2.95Å; N8-S10 VanDerWaalsContact O-N 3.1Å
11	M	83.3	Confident	77.2	Confident	146 Å²	146	89.1 Å²	89.1	72%	0.719	46%	0.455	S	S	*	.			trans	-109.2	85.6	-177.6	-66.3	-175	-66.6	0	0	109.5	F9 P13	F9-M11 WeakPolarHBondContact CE1-O 3.49Å; F9-M11 WeakPolarHBondContact CZ-O 3.24Å; M11-P13 WeakPolarHBondContact O-CD 3.28Å
12	I	89.1	Confident	79.7	Confident	60 Å²	60	83 Å²	83	31%	0.308	43%	0.434	S	S	.	.			trans	-73.5	120	174.2	-54.8	-54.1	0	0	0	108.2	F9 F30 K34 T36	F9-I12 HydrophobicContact CD1-CD1 4.02Å; I12-F30 HydrophobicContact CD1-CE1 4.11Å; I12-K34 HydrophobicContact CD1-CB 4.13Å; I12-K34 HydrophobicContact CD1-CD 4.43Å; I12-K34 HydrophobicContact CD1-CG 3.96Å; I12-K34 HydrophobicContact CG1-CB 4.17Å; I12-K34 HydrophobicContact CG1-CG 4.39Å; I12-K34 HydrophobicContact CG2-CB 3.73Å; I12-T36 WeakPolarHBondContact CG2-OG1 3.26Å
13	P	92.5	Very high	81.6	Confident	40 Å²	40	76.4 Å²	76.4	26%	0.26	41%	0.405	S	S	.	.			trans	-70.5	147.2	176.4	30.6	-35.6	0	0	0	110.9	M11 I15 V16 L31 T36	M11-P13 WeakPolarHBondContact O-CD 3.28Å; P13-I15 PolarHBondContact O-N 2.98Å; P13-V16 HydrophobicContact CG-CG2 4.13Å; P13-L31 HydrophobicContact CG-CD2 4.13Å; P13-T36 HydrophobicContact CG-CG2 4.07Å; P13-T36 WeakPolarHBondContact O-CB 3.48Å; P13-T36 WeakPolarHBondContact O-CG2 3.47Å; P13-T36 PolarHBondContact O-OG1 3.32Å
14	D	92.9	Very high	83.4	Confident	136 Å²	136	71.6 Å²	71.6	73%	0.727	40%	0.395	S	S	*	.	S	Bend	trans	-66	-32.3	172	-59.1	-77.8	0	0	0	111.9	A37	D14-A37 PolarHBondContact O-N 3.19Å
15	I	94.5	Very high	84.7	Confident	33 Å²	33	73.3 Å²	73.3	17%	0.169	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.3	-174.5	-54.1	171.6	0	0	0	110.4	P13 C17 A37 I39 V55	P13-I15 PolarHBondContact O-N 2.98Å; I15-C17 HydrophobicContact CG2-CB 4.42Å; I15-A37 CarbonylContact C-O 3.45Å; I15-A37 VanDerWaalsContact CA-O 3.28Å; I15-A37 WeakPolarHBondContact CA-O 3.45Å; I15-A37 HydrophobicContact CG1-CB 4.39Å; I15-I39 HydrophobicContact CG2-CB 4.47Å; I15-I39 HydrophobicContact CG2-CD1 3.78Å; I15-I39 HydrophobicContact CG2-CG1 4.07Å; I15-V55 HydrophobicContact CG2-CG1 4.35Å
16	V	94.6	Very high	86.1	Confident	22 Å²	22	77 Å²	77	13%	0.133	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.2	158.4	160.9	0	0	0	0	109	P13 L20 I23 L31 T36 A37 I39	P13-V16 HydrophobicContact CG-CG2 4.13Å; V16-L20 HydrophobicContact CG1-CD2 3.77Å; V16-I23 HydrophobicContact CG1-CD1 4.31Å; V16-L31 HydrophobicContact CG2-CD1 3.68Å; V16-T36 HydrophobicContact CB-CG2 4.16Å; V16-T36 HydrophobicContact CG2-CG2 3.94Å; V16-A37 PolarHBondContact N-O 3.45Å; V16-I39 PolarHBondContact O-N 3.43Å
17	C	93.9	Very high	87.4	Confident	26 Å²	26	75.4 Å²	75.4	18%	0.176	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.7	-178	42.2	0	0	0	0	111.9	I15 I39 C52 V55	I15-C17 HydrophobicContact CG2-CB 4.42Å; C17-I39 WeakPolarHBondContact CA-O 3.35Å; C17-C52 HydrophobicContact CB-CB 4.42Å; C17-C52 WeakPolarHBondContact CB-SG 3.33Å; C17-C52 WeakPolarHBondContact SG-CA 2.99Å; C17-C52 WeakPolarHBondContact SG-CB 3.33Å; C17-C52 CovalentContact SG-SG 2.06Å; C17-C52 PolarHBondContact SG-SG 3.46Å; C17-V55 HydrophobicContact CB-CG1 4.46Å; C17-V55 HydrophobicContact CB-CG2 4.44Å
18	G	93.2	Very high	88.8	Confident	1 Å²	1	68 Å²	68	1%	0.01	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.3	-174.3	178.3	0	0	0	0	0	111.5	L20 I39 V41 D48	G18-L20 PolarHBondContact O-N 3.42Å; G18-I39 PolarHBondContact N-O 2.96Å; G18-V41 PolarHBondContact O-N 3.13Å; G18-D48 VanDerWaalsContact CA-OD1 3.31Å; G18-D48 WeakPolarHBondContact CA-OD1 3.42Å
19	D	92	Very high	90	Very high	13 Å²	13	68.7 Å²	68.7	7%	0.07	37%	0.37	C	S	.	.			trans	-74.9	-14.8	169.7	58.7	27.9	0	0	0	113.4	D21 R40 V41 Q44 D48 K51	D19-D21 WeakPolarHBondContact OD1-CB 3.3Å; D19-D21 VanDerWaalsContact OD1-CG 3.27Å; D19-D21 PolarHBondContact OD1-N 3.39Å; D19-R40 PolarHBondContact O-NE 3.4Å; D19-R40 VanDerWaalsContact O-NE 3.09Å; D19-V41 VanDerWaalsContact CA-O 3.25Å; D19-V41 WeakPolarHBondContact CA-O 3.37Å; D19-V41 WeakPolarHBondContact CB-O 3.27Å; D19-V41 PolarHBondContact N-O 3.47Å; D19-Q44 PolarHBondContact OD2-NE2 3.47Å; D19-D48 PolarHBondContact N-OD1 3.19Å; D19-K51 IonicContact OD2-NZ 3.64Å; D19-K51 PolarHBondContact OD2-NZ 3.28Å
20	L	92.1	Very high	91	Very high	32 Å²	32	68.2 Å²	68.2	17%	0.168	37%	0.367	C	S	.	.			trans	68.5	27.5	176.3	-46.4	178.5	0	0	0	113.5	V16 G18 I23 V38 R40	V16-L20 HydrophobicContact CG1-CD2 3.77Å; G18-L20 PolarHBondContact O-N 3.42Å; L20-I23 HydrophobicContact CB-CG2 3.87Å; L20-I23 HydrophobicContact CD2-CG2 4.4Å; L20-V38 HydrophobicContact CD1-CG1 3.56Å; L20-R40 HydrophobicContact CD1-CB 4Å; L20-R40 HydrophobicContact CD1-CG 4.07Å; L20-R40 HydrophobicContact CG-CG 4.29Å
21	D	90.8	Very high	91.8	Very high	118 Å²	118	63 Å²	63	63%	0.631	33%	0.331	S	S	*	.	S	Bend	trans	-75.2	-25.3	179.5	75.6	-5.6	0	0	0	113.8	D19	D19-D21 WeakPolarHBondContact OD1-CB 3.3Å; D19-D21 VanDerWaalsContact OD1-CG 3.27Å; D19-D21 PolarHBondContact OD1-N 3.39Å
22	S	90.4	Very high	92.2	Very high	105 Å²	105	60.3 Å²	60.3	73%	0.734	32%	0.317	S	S	*	.	S	Bend	trans	-99	-14.9	-172	-65.1	0	0	0	0	113.5
23	I	91.5	Very high	92.4	Very high	39 Å²	39	64.1 Å²	64.1	20%	0.2	34%	0.338	C	S	.	.	S	Bend	trans	-88	136	179.8	-168.2	168.6	0	0	0	110.7	V16 L20 L28 L31	V16-I23 HydrophobicContact CG1-CD1 4.31Å; L20-I23 HydrophobicContact CB-CG2 3.87Å; L20-I23 HydrophobicContact CD2-CG2 4.4Å; I23-L28 HydrophobicContact CD1-CB 4.32Å; I23-L28 HydrophobicContact CD1-CD1 4.21Å; I23-L31 HydrophobicContact CD1-CD1 4.17Å
24	T	92.4	Very high	92.4	Very high	74 Å²	74	67.9 Å²	67.9	45%	0.454	35%	0.35	S	S	.	.			trans	-74.7	146.9	176.1	67.6	0	0	0	0	111.3	E26 S27 L28	T24-E26 PolarHBondContact O-N 2.98Å; T24-E26 VanDerWaalsContact O-N 3.15Å; T24-S27 PolarHBondContact O-N 3.4Å; T24-S27 PolarHBondContact OG1-N 3.1Å; T24-S27 PolarHBondContact OG1-OG 3.21Å; T24-L28 PolarHBondContact O-N 2.87Å
25	N	91.7	Very high	92.4	Very high	121 Å²	121	64.6 Å²	64.6	65%	0.647	35%	0.348	S	S	*	.	H	α-helix	trans	-54	-34.9	174.7	-73.3	-29	0	0	0	113	R29	N25-R29 WeakPolarHBondContact O-CB 3.38Å; N25-R29 VanDerWaalsContact O-CG 3.24Å; N25-R29 WeakPolarHBondContact O-CG 3.24Å; N25-R29 PolarHBondContact O-N 2.87Å
26	E	92	Very high	92.5	Very high	121 Å²	121	63.4 Å²	63.4	57%	0.565	34%	0.342	S	S	*	.	H	α-helix	trans	-64.5	-45.8	176	-175.1	-177.5	179.9	0	0	111.8	H5 T24 F30	H5-E26 HydrophobicContact CB-CG 4.04Å; H5-E26 IonicContact CD2-OE1 2.94Å; H5-E26 PolarHBondContact CD2-OE1 3.19Å; H5-E26 IonicContact CG-OE1 3.47Å; T24-E26 PolarHBondContact O-N 2.98Å; T24-E26 VanDerWaalsContact O-N 3.15Å; E26-F30 WeakPolarHBondContact O-CB 3.36Å; E26-F30 PolarHBondContact O-N 3.18Å
27	S	91.2	Very high	92.5	Very high	9 Å²	9	63.9 Å²	63.9	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-40.7	179.1	-51.8	0	0	0	0	111.2	H5 T24 F30 L31	H5-S27 PolarHBondContact ND1-OG 2.98Å; T24-S27 PolarHBondContact O-N 3.4Å; T24-S27 PolarHBondContact OG1-N 3.1Å; T24-S27 PolarHBondContact OG1-OG 3.21Å; S27-F30 PolarHBondContact O-N 2.9Å; S27-L31 WeakPolarHBondContact O-CG 3.45Å; S27-L31 PolarHBondContact O-N 3.06Å
28	L	92.2	Very high	92.5	Very high	27 Å²	27	65 Å²	65	14%	0.141	36%	0.355	C	S	.	.	H	α-helix	trans	-61.2	-49.5	177.2	-171	64.8	0	0	0	111.3	I23 T24 F30 L31 E32 V38	I23-L28 HydrophobicContact CD1-CB 4.32Å; I23-L28 HydrophobicContact CD1-CD1 4.21Å; T24-L28 PolarHBondContact O-N 2.87Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 PolarHBondContact O-N 2.87Å; L28-L31 PolarHBondContact O-N 3.45Å; L28-E32 WeakPolarHBondContact O-CG 2.98Å; L28-E32 PolarHBondContact O-N 3.22Å; L28-V38 HydrophobicContact CD1-CB 4.49Å; L28-V38 HydrophobicContact CD1-CG1 3.92Å; L28-V38 HydrophobicContact CD1-CG2 3.68Å
29	R	92.4	Very high	92.6	Very high	164 Å²	164	67.5 Å²	67.5	62%	0.619	37%	0.367	S	S	*	.	H	α-helix	trans	-60.7	-39.4	176.3	-74.6	175	-177.7	-179.4	1.1	112.7	N25 L31 N33	N25-R29 WeakPolarHBondContact O-CB 3.38Å; N25-R29 VanDerWaalsContact O-CG 3.24Å; N25-R29 WeakPolarHBondContact O-CG 3.24Å; N25-R29 PolarHBondContact O-N 2.87Å; R29-L31 VanDerWaalsContact C-N 3.35Å; R29-N33 VanDerWaalsContact O-CB 3.31Å; R29-N33 WeakPolarHBondContact O-CB 3.31Å; R29-N33 PolarHBondContact O-N 3.2Å; R29-N33 PolarHBondContact O-ND2 3.34Å
30	F	92	Very high	92.8	Very high	35 Å²	35	74.5 Å²	74.5	15%	0.154	39%	0.393	C	S	.	.	H	α-helix	trans	-59.8	-46.5	176.4	174.7	-92.5	0	0	0	111.3	M4 H5 F9 I12 E26 S27 L28 N33 K34	M4-F30 WeakPolarHBondContact O-CD1 3.38Å; M4-F30 WeakPolarHBondContact O-CE1 3.3Å; H5-F30 HydrophobicContact CB-CB 4.37Å; F9-F30 HydrophobicContact CB-CE1 4.5Å; I12-F30 HydrophobicContact CD1-CE1 4.11Å; E26-F30 WeakPolarHBondContact O-CB 3.36Å; E26-F30 PolarHBondContact O-N 3.18Å; S27-F30 PolarHBondContact O-N 2.9Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 PolarHBondContact O-N 2.87Å; F30-N33 PolarHBondContact O-N 3.2Å; F30-K34 HydrophobicContact CE1-CG 4.21Å; F30-K34 HydrophobicContact CZ-CG 4.28Å; F30-K34 VanDerWaalsContact O-CG 3.3Å; F30-K34 WeakPolarHBondContact O-CG 3.38Å; F30-K34 PolarHBondContact O-N 3.03Å
31	L	92.6	Very high	92.8	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-67.2	-44.2	179.5	-66.8	173.7	0	0	0	112.1	F9 P13 V16 I23 S27 L28 R29 N33 K34 G35 T36	F9-L31 HydrophobicContact CE1-CD2 4.35Å; P13-L31 HydrophobicContact CG-CD2 4.13Å; V16-L31 HydrophobicContact CG2-CD1 3.68Å; I23-L31 HydrophobicContact CD1-CD1 4.17Å; S27-L31 WeakPolarHBondContact O-CG 3.45Å; S27-L31 PolarHBondContact O-N 3.06Å; L28-L31 PolarHBondContact O-N 3.45Å; R29-L31 VanDerWaalsContact C-N 3.35Å; L31-N33 VanDerWaalsContact C-N 3.31Å; L31-N33 PolarHBondContact O-N 3.38Å; L31-K34 CarbonylContact O-C 3.55Å; L31-K34 WeakPolarHBondContact O-CA 2.9Å; L31-K34 PolarHBondContact O-N 2.69Å; L31-G35 PolarHBondContact O-N 3.05Å; L31-T36 HydrophobicContact CB-CG2 4.22Å; L31-T36 VanDerWaalsContact O-CB 3.3Å; L31-T36 WeakPolarHBondContact O-CB 3.47Å; L31-T36 PolarHBondContact O-N 3.2Å; L31-T36 PolarHBondContact O-OG1 2.94Å
32	E	93	Very high	92.9	Very high	91 Å²	91	77.5 Å²	77.5	43%	0.425	40%	0.395	S	S	.	.	H	α-helix	trans	-56.4	-45.8	174.1	-73.1	176.1	141.3	0	0	111.4	L28 K34 G35 V38	L28-E32 WeakPolarHBondContact O-CG 2.98Å; L28-E32 PolarHBondContact O-N 3.22Å; E32-K34 PolarHBondContact O-N 2.99Å; E32-G35 PolarHBondContact O-N 2.93Å; E32-V38 HydrophobicContact CG-CG2 3.49Å; E32-V38 VanDerWaalsContact CG-CG2 3.49Å
33	N	93	Very high	92.9	Very high	140 Å²	140	75.6 Å²	75.6	75%	0.749	38%	0.375	S	S	*	.	H	α-helix	trans	-65	-20.8	177.1	-73.2	-22.1	0	0	0	113.4	R29 F30 L31	R29-N33 VanDerWaalsContact O-CB 3.31Å; R29-N33 WeakPolarHBondContact O-CB 3.31Å; R29-N33 PolarHBondContact O-N 3.2Å; R29-N33 PolarHBondContact O-ND2 3.34Å; F30-N33 PolarHBondContact O-N 3.2Å; L31-N33 VanDerWaalsContact C-N 3.31Å; L31-N33 PolarHBondContact O-N 3.38Å
34	K	92.3	Very high	92.9	Very high	118 Å²	118	80.4 Å²	80.4	51%	0.513	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	0.1	174.4	-66	-69.9	-176.9	-178.2	0	113	I12 F30 L31 E32	I12-K34 HydrophobicContact CD1-CB 4.13Å; I12-K34 HydrophobicContact CD1-CD 4.43Å; I12-K34 HydrophobicContact CD1-CG 3.96Å; I12-K34 HydrophobicContact CG1-CB 4.17Å; I12-K34 HydrophobicContact CG1-CG 4.39Å; I12-K34 HydrophobicContact CG2-CB 3.73Å; F30-K34 HydrophobicContact CE1-CG 4.21Å; F30-K34 HydrophobicContact CZ-CG 4.28Å; F30-K34 VanDerWaalsContact O-CG 3.3Å; F30-K34 WeakPolarHBondContact O-CG 3.38Å; F30-K34 PolarHBondContact O-N 3.03Å; L31-K34 CarbonylContact O-C 3.55Å; L31-K34 WeakPolarHBondContact O-CA 2.9Å; L31-K34 PolarHBondContact O-N 2.69Å; E32-K34 PolarHBondContact O-N 2.99Å
35	G	93.6	Very high	92.9	Very high	67 Å²	67	86.1 Å²	86.1	69%	0.691	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	7.3	177	0	0	0	0	0	115.1	L31 E32 A37	L31-G35 PolarHBondContact O-N 3.05Å; E32-G35 PolarHBondContact O-N 2.93Å; G35-A37 PolarHBondContact O-N 3.1Å
36	T	94.7	Very high	92.9	Very high	8 Å²	8	81.7 Å²	81.7	5%	0.049	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-64.6	129.9	174.3	-61.3	0	0	0	0	110.5	I12 P13 V16 L31	I12-T36 WeakPolarHBondContact CG2-OG1 3.26Å; P13-T36 HydrophobicContact CG-CG2 4.07Å; P13-T36 WeakPolarHBondContact O-CB 3.48Å; P13-T36 WeakPolarHBondContact O-CG2 3.47Å; P13-T36 PolarHBondContact O-OG1 3.32Å; V16-T36 HydrophobicContact CB-CG2 4.16Å; V16-T36 HydrophobicContact CG2-CG2 3.94Å; L31-T36 HydrophobicContact CB-CG2 4.22Å; L31-T36 VanDerWaalsContact O-CB 3.3Å; L31-T36 WeakPolarHBondContact O-CB 3.47Å; L31-T36 PolarHBondContact O-N 3.2Å; L31-T36 PolarHBondContact O-OG1 2.94Å
37	A	94.8	Very high	93	Very high	33 Å²	33	78.6 Å²	78.6	27%	0.273	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.6	172.7	0	0	0	0	0	110.8	D14 I15 V16 G35	D14-A37 PolarHBondContact O-N 3.19Å; I15-A37 CarbonylContact C-O 3.45Å; I15-A37 VanDerWaalsContact CA-O 3.28Å; I15-A37 WeakPolarHBondContact CA-O 3.45Å; I15-A37 HydrophobicContact CG1-CB 4.39Å; V16-A37 PolarHBondContact N-O 3.45Å; G35-A37 PolarHBondContact O-N 3.1Å
38	V	95.1	Very high	93.2	Very high	49 Å²	49	81 Å²	81	30%	0.297	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.3	177.7	178.8	0	0	0	0	109.8	L20 L28 E32	L20-V38 HydrophobicContact CD1-CG1 3.56Å; L28-V38 HydrophobicContact CD1-CB 4.49Å; L28-V38 HydrophobicContact CD1-CG1 3.92Å; L28-V38 HydrophobicContact CD1-CG2 3.68Å; E32-V38 HydrophobicContact CG-CG2 3.49Å; E32-V38 VanDerWaalsContact CG-CG2 3.49Å
39	I	95.2	Very high	93.4	Very high	53 Å²	53	81.7 Å²	81.7	27%	0.272	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	103.9	178.9	-59.4	179.8	0	0	0	108.4	I15 V16 C17 G18 V41 V55	I15-I39 HydrophobicContact CG2-CB 4.47Å; I15-I39 HydrophobicContact CG2-CD1 3.78Å; I15-I39 HydrophobicContact CG2-CG1 4.07Å; V16-I39 PolarHBondContact O-N 3.43Å; C17-I39 WeakPolarHBondContact CA-O 3.35Å; G18-I39 PolarHBondContact N-O 2.96Å; I39-V41 HydrophobicContact CG2-CG2 3.95Å; I39-V55 HydrophobicContact CD1-CG1 3.62Å; I39-V55 HydrophobicContact CG2-CG2 4.19Å
40	R	95	Very high	93.6	Very high	161 Å²	161	74.6 Å²	74.6	61%	0.608	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.3	178.8	-169.4	171.1	-171.2	-172.8	-0.6	110.9	D19 L20	D19-R40 PolarHBondContact O-NE 3.4Å; D19-R40 VanDerWaalsContact O-NE 3.09Å; L20-R40 HydrophobicContact CD1-CB 4Å; L20-R40 HydrophobicContact CD1-CG 4.07Å; L20-R40 HydrophobicContact CG-CG 4.29Å
41	V	93.9	Very high	93.8	Very high	19 Å²	19	73.1 Å²	73.1	12%	0.115	37%	0.368	C	S	.	.			trans	-117.2	105.5	-174.4	-179.2	0	0	0	0	107.9	G18 D19 I39 E43 K51 V55	G18-V41 PolarHBondContact O-N 3.13Å; D19-V41 VanDerWaalsContact CA-O 3.25Å; D19-V41 WeakPolarHBondContact CA-O 3.37Å; D19-V41 WeakPolarHBondContact CB-O 3.27Å; D19-V41 PolarHBondContact N-O 3.47Å; I39-V41 HydrophobicContact CG2-CG2 3.95Å; V41-E43 WeakPolarHBondContact CG1-OE1 3.43Å; V41-E43 WeakPolarHBondContact CG1-OE2 3.22Å; V41-K51 HydrophobicContact CB-CB 4.44Å; V41-K51 HydrophobicContact CB-CD 3.91Å; V41-K51 HydrophobicContact CB-CG 4.37Å; V41-K51 HydrophobicContact CG1-CB 4.04Å; V41-K51 HydrophobicContact CG1-CD 3.58Å; V41-K51 HydrophobicContact CG1-CG 3.68Å; V41-V55 HydrophobicContact CG2-CG2 4.2Å
42	R	91.2	Very high	94	Very high	194 Å²	194	74.5 Å²	74.5	73%	0.732	38%	0.378	S	S	*	.			trans	-85.4	-16	-165	-68.3	-174.2	-177.5	175	1.9	114.1
43	E	92.3	Very high	94.2	Very high	65 Å²	65	70.8 Å²	70.8	30%	0.304	36%	0.361	S	S	.	.			trans	-62.8	148.7	179.8	77.1	-83	-174.7	0	0	111.6	V41 K51 R54	V41-E43 WeakPolarHBondContact CG1-OE1 3.43Å; V41-E43 WeakPolarHBondContact CG1-OE2 3.22Å; E43-K51 WeakPolarHBondContact O-CE 3.05Å; E43-K51 PolarHBondContact O-NZ 2.85Å; E43-K51 VanDerWaalsContact O-NZ 3.16Å; E43-R54 IonicContact OE1-NH1 3.88Å; E43-R54 PolarHBondContact OE1-NH1 3.17Å
44	Q	90.8	Very high	94.3	Very high	139 Å²	139	68.4 Å²	68.4	65%	0.65	34%	0.342	S	S	*	.	S	Bend	trans	-114.9	3.3	-175.9	-67.9	-64.2	-36	0	0	112.2	D19	D19-Q44 PolarHBondContact OD2-NE2 3.47Å
45	E	91.3	Very high	94.5	Very high	194 Å²	194	63.4 Å²	63.4	91%	0.907	32%	0.321	S	S	*	.	S	Bend	trans	-87	-9.8	-177	-61.1	-179.2	165.1	0	0	112.4
46	S	93.1	Very high	94.6	Very high	28 Å²	28	63.7 Å²	63.7	20%	0.196	31%	0.306	C	S	.	.	S	Bend	trans	-131.5	153.7	179.3	66.4	0	0	0	0	111.8	K51	S46-K51 WeakPolarHBondContact O-CE 3.33Å; S46-K51 WeakPolarHBondContact OG-CG 3.4Å
47	T	94.2	Very high	94.7	Very high	56 Å²	56	63.6 Å²	63.6	34%	0.344	31%	0.305	S	S	.	.			trans	-72.3	158.7	176.4	71.3	0	0	0	0	110.9	F49 T50 K51	T47-F49 PolarHBondContact O-N 3.09Å; T47-F49 PolarHBondContact OG1-N 3.11Å; T47-T50 WeakPolarHBondContact O-CB 3.35Å; T47-T50 PolarHBondContact O-N 3.04Å; T47-T50 PolarHBondContact OG1-N 2.06Å; T47-T50 PolarHBondContact OG1-OG1 2.94Å; T47-K51 WeakPolarHBondContact O-CG 2.91Å; T47-K51 PolarHBondContact O-N 3.06Å
48	D	94.3	Very high	94.7	Very high	59 Å²	59	66 Å²	66	32%	0.316	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-29.3	173.7	-70.8	-28.2	0	0	0	112.9	G18 D19 K51 C52	G18-D48 VanDerWaalsContact CA-OD1 3.31Å; G18-D48 WeakPolarHBondContact CA-OD1 3.42Å; D19-D48 PolarHBondContact N-OD1 3.19Å; D48-K51 PolarHBondContact O-N 3.32Å; D48-K51 WeakPolarHBondContact OD1-CD 3.33Å; D48-K51 IonicContact OD1-NZ 3.86Å; D48-K51 PolarHBondContact OD1-NZ 2.97Å; D48-C52 WeakPolarHBondContact O-CB 3.26Å; D48-C52 PolarHBondContact O-N 3.15Å; D48-C52 PolarHBondContact O-SG 3.1Å; D48-C52 VanDerWaalsContact O-SG 3.37Å
49	F	96.1	Very high	94.7	Very high	43 Å²	43	68.1 Å²	68.1	19%	0.189	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-47.2	173.6	178.6	-126.6	0	0	0	111.6	T47 K51 C52 V53 A72 C86 S89 L102 L104	T47-F49 PolarHBondContact O-N 3.09Å; T47-F49 PolarHBondContact OG1-N 3.11Å; F49-K51 VanDerWaalsContact C-N 3.33Å; F49-K51 PolarHBondContact O-N 3.02Å; F49-C52 PolarHBondContact O-N 2.96Å; F49-V53 HydrophobicContact CD2-CG2 4.15Å; F49-V53 HydrophobicContact CE2-CG2 3.66Å; F49-V53 HydrophobicContact CZ-CG2 3.92Å; F49-V53 WeakPolarHBondContact O-CG2 3.48Å; F49-V53 PolarHBondContact O-N 3.36Å; F49-A72 HydrophobicContact CD2-CB 4.46Å; F49-A72 HydrophobicContact CE2-CB 3.34Å; F49-A72 HydrophobicContact CZ-CB 3.56Å; F49-C86 HydrophobicContact CD1-CB 4.06Å; F49-C86 HydrophobicContact CE1-CB 4.19Å; F49-S89 VanDerWaalsContact CD1-CB 3.42Å; F49-L102 HydrophobicContact CZ-CD1 4.39Å; F49-L102 HydrophobicContact CZ-CD2 4.08Å; F49-L104 HydrophobicContact CZ-CD1 4.49Å
50	T	96.7	Very high	94.7	Very high	15 Å²	15	66 Å²	66	9%	0.092	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-45.1	175	-38.3	0	0	0	0	111.4	T47 C52 V53 R54 S89 L92	T47-T50 WeakPolarHBondContact O-CB 3.35Å; T47-T50 PolarHBondContact O-N 3.04Å; T47-T50 PolarHBondContact OG1-N 2.06Å; T47-T50 PolarHBondContact OG1-OG1 2.94Å; T50-C52 VanDerWaalsContact C-N 3.34Å; T50-C52 PolarHBondContact O-N 3.48Å; T50-V53 PolarHBondContact O-N 2.89Å; T50-R54 WeakPolarHBondContact O-CG 3.16Å; T50-R54 PolarHBondContact O-N 3.05Å; T50-R54 VanDerWaalsContact O-N 3.13Å; T50-S89 PolarHBondContact OG1-OG 3.02Å; T50-L92 HydrophobicContact CG2-CD1 4.02Å
51	K	96.6	Very high	94.6	Very high	3 Å²	3	63.8 Å²	63.8	1%	0.013	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-46.3	177.9	-62.8	171.5	-165.5	166.8	0	110.9	D19 V41 E43 S46 T47 D48 F49 R54 V55	D19-K51 IonicContact OD2-NZ 3.64Å; D19-K51 PolarHBondContact OD2-NZ 3.28Å; V41-K51 HydrophobicContact CB-CB 4.44Å; V41-K51 HydrophobicContact CB-CD 3.91Å; V41-K51 HydrophobicContact CB-CG 4.37Å; V41-K51 HydrophobicContact CG1-CB 4.04Å; V41-K51 HydrophobicContact CG1-CD 3.58Å; V41-K51 HydrophobicContact CG1-CG 3.68Å; E43-K51 WeakPolarHBondContact O-CE 3.05Å; E43-K51 PolarHBondContact O-NZ 2.85Å; E43-K51 VanDerWaalsContact O-NZ 3.16Å; S46-K51 WeakPolarHBondContact O-CE 3.33Å; S46-K51 WeakPolarHBondContact OG-CG 3.4Å; T47-K51 WeakPolarHBondContact O-CG 2.91Å; T47-K51 PolarHBondContact O-N 3.06Å; D48-K51 PolarHBondContact O-N 3.32Å; D48-K51 WeakPolarHBondContact OD1-CD 3.33Å; D48-K51 IonicContact OD1-NZ 3.86Å; D48-K51 PolarHBondContact OD1-NZ 2.97Å; F49-K51 VanDerWaalsContact C-N 3.33Å; F49-K51 PolarHBondContact O-N 3.02Å; K51-R54 PolarHBondContact O-N 3.22Å; K51-V55 WeakPolarHBondContact O-CB 3.49Å; K51-V55 VanDerWaalsContact O-CG2 3.26Å; K51-V55 WeakPolarHBondContact O-CG2 3.25Å; K51-V55 PolarHBondContact O-N 3.06Å
52	C	96.4	Very high	94.7	Very high	30 Å²	30	70.2 Å²	70.2	20%	0.203	33%	0.329	C	S	.	.	H	α-helix	trans	-68.9	-37.9	-177.7	-75.8	0	0	0	0	113.2	C17 D48 F49 T50 V55 I56	C17-C52 HydrophobicContact CB-CB 4.42Å; C17-C52 WeakPolarHBondContact CB-SG 3.33Å; C17-C52 WeakPolarHBondContact SG-CA 2.99Å; C17-C52 WeakPolarHBondContact SG-CB 3.33Å; C17-C52 CovalentContact SG-SG 2.06Å; C17-C52 PolarHBondContact SG-SG 3.46Å; D48-C52 WeakPolarHBondContact O-CB 3.26Å; D48-C52 PolarHBondContact O-N 3.15Å; D48-C52 PolarHBondContact O-SG 3.1Å; D48-C52 VanDerWaalsContact O-SG 3.37Å; F49-C52 PolarHBondContact O-N 2.96Å; T50-C52 VanDerWaalsContact C-N 3.34Å; T50-C52 PolarHBondContact O-N 3.48Å; C52-V55 PolarHBondContact O-N 3.33Å; C52-I56 VanDerWaalsContact O-CG1 3.27Å; C52-I56 WeakPolarHBondContact O-CG1 3.44Å; C52-I56 PolarHBondContact O-N 3.47Å
53	V	97	Very high	94.9	Very high	12 Å²	12	66.2 Å²	66.2	7%	0.073	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-50.4	172.6	171.4	0	0	0	0	110.5	F49 T50 V55 I56 V57 L70 H93 L102	F49-V53 HydrophobicContact CD2-CG2 4.15Å; F49-V53 HydrophobicContact CE2-CG2 3.66Å; F49-V53 HydrophobicContact CZ-CG2 3.92Å; F49-V53 WeakPolarHBondContact O-CG2 3.48Å; F49-V53 PolarHBondContact O-N 3.36Å; T50-V53 PolarHBondContact O-N 2.89Å; V53-V55 PolarHBondContact O-N 3.29Å; V53-I56 PolarHBondContact O-N 2.92Å; V53-V57 WeakPolarHBondContact O-CG2 3.21Å; V53-V57 PolarHBondContact O-N 3.42Å; V53-V57 VanDerWaalsContact O-N 3.11Å; V53-L70 HydrophobicContact CG1-CD1 4.04Å; V53-H93 HydrophobicContact CG1-CB 4.14Å; V53-H93 WeakPolarHBondContact CG1-ND1 3.41Å; V53-L102 HydrophobicContact CG1-CD2 4.49Å; V53-L102 HydrophobicContact CG2-CD2 4.16Å
54	R	96.2	Very high	95	Very high	90 Å²	90	72.5 Å²	72.5	34%	0.34	35%	0.346	S	S	.	.	H	α-helix	trans	-58.2	-47.3	177.7	-72.3	173.6	57.8	-146.5	-8.9	112.6	E43 T50 K51 I56 V57 E58	E43-R54 IonicContact OE1-NH1 3.88Å; E43-R54 PolarHBondContact OE1-NH1 3.17Å; T50-R54 WeakPolarHBondContact O-CG 3.16Å; T50-R54 PolarHBondContact O-N 3.05Å; T50-R54 VanDerWaalsContact O-N 3.13Å; K51-R54 PolarHBondContact O-N 3.22Å; R54-I56 VanDerWaalsContact C-N 3.29Å; R54-I56 PolarHBondContact O-N 2.77Å; R54-V57 PolarHBondContact O-N 3.03Å; R54-E58 IonicContact NH2-OE1 3.48Å; R54-E58 WeakPolarHBondContact O-CB 3.34Å; R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 3.06Å
55	V	96.2	Very high	95.2	Very high	13 Å²	13	70.6 Å²	70.6	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-38.8	178.1	165.7	0	0	0	0	112.1	I15 C17 I39 V41 K51 C52 V53 R59	I15-V55 HydrophobicContact CG2-CG1 4.35Å; C17-V55 HydrophobicContact CB-CG1 4.46Å; C17-V55 HydrophobicContact CB-CG2 4.44Å; I39-V55 HydrophobicContact CD1-CG1 3.62Å; I39-V55 HydrophobicContact CG2-CG2 4.19Å; V41-V55 HydrophobicContact CG2-CG2 4.2Å; K51-V55 WeakPolarHBondContact O-CB 3.49Å; K51-V55 VanDerWaalsContact O-CG2 3.26Å; K51-V55 WeakPolarHBondContact O-CG2 3.25Å; K51-V55 PolarHBondContact O-N 3.06Å; C52-V55 PolarHBondContact O-N 3.33Å; V53-V55 PolarHBondContact O-N 3.29Å; V55-R59 VanDerWaalsContact O-CB 3.24Å; V55-R59 WeakPolarHBondContact O-CB 3.48Å; V55-R59 PolarHBondContact O-N 3.42Å; V55-R59 VanDerWaalsContact O-N 3.1Å
56	I	96.1	Very high	95.3	Very high	74 Å²	74	70.6 Å²	70.6	38%	0.379	34%	0.34	S	S	.	.	H	α-helix	trans	-66.2	-45.9	177.7	-70	164.8	0	0	0	110.5	C52 V53 R54 R59 A60 L67 L70	C52-I56 VanDerWaalsContact O-CG1 3.27Å; C52-I56 WeakPolarHBondContact O-CG1 3.44Å; C52-I56 PolarHBondContact O-N 3.47Å; V53-I56 PolarHBondContact O-N 2.92Å; R54-I56 VanDerWaalsContact C-N 3.29Å; R54-I56 PolarHBondContact O-N 2.77Å; I56-R59 PolarHBondContact O-N 3.11Å; I56-A60 PolarHBondContact O-N 3.37Å; I56-L67 HydrophobicContact CG2-CD1 4.37Å; I56-L70 HydrophobicContact CG2-CD2 3.59Å
57	V	96.3	Very high	95.4	Very high	5 Å²	5	71.4 Å²	71.4	3%	0.03	34%	0.342	C	S	.	.	H	α-helix	trans	-64.2	-51.4	179.9	179.6	0	0	0	0	111.2	V53 R54 R59 A60 E61 L67 L70 H97	V53-V57 WeakPolarHBondContact O-CG2 3.21Å; V53-V57 PolarHBondContact O-N 3.42Å; V53-V57 VanDerWaalsContact O-N 3.11Å; R54-V57 PolarHBondContact O-N 3.03Å; V57-R59 PolarHBondContact O-N 2.81Å; V57-A60 WeakPolarHBondContact O-CB 3.44Å; V57-A60 PolarHBondContact O-N 3.16Å; V57-E61 WeakPolarHBondContact O-CG 3.36Å; V57-E61 PolarHBondContact O-N 3.06Å; V57-L67 HydrophobicContact CB-CD1 4.46Å; V57-L67 HydrophobicContact CG2-CD1 4.08Å; V57-L70 HydrophobicContact CG2-CD1 4.1Å; V57-H97 WeakPolarHBondContact CG1-CE1 3.46Å
58	E	95.1	Very high	95.5	Very high	85 Å²	85	76.6 Å²	76.6	40%	0.397	36%	0.362	S	S	.	.	H	α-helix	trans	-55.8	-38.9	177.8	-72.3	174	-172.6	0	0	111.8	R54 Q62	R54-E58 IonicContact NH2-OE1 3.48Å; R54-E58 WeakPolarHBondContact O-CB 3.34Å; R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 3.06Å; E58-Q62 WeakPolarHBondContact O-CG 3.31Å; E58-Q62 PolarHBondContact O-N 3.46Å
59	R	94.6	Very high	95.6	Very high	93 Å²	93	77.9 Å²	77.9	35%	0.351	37%	0.367	S	S	.	.	H	α-helix	trans	-71.6	-39.8	178.4	-170.4	176.7	-176.5	122.8	-7.4	112.4	V55 I56 V57 E61 Q62 M63	V55-R59 VanDerWaalsContact O-CB 3.24Å; V55-R59 WeakPolarHBondContact O-CB 3.48Å; V55-R59 PolarHBondContact O-N 3.42Å; V55-R59 VanDerWaalsContact O-N 3.1Å; I56-R59 PolarHBondContact O-N 3.11Å; V57-R59 PolarHBondContact O-N 2.81Å; R59-E61 VanDerWaalsContact C-N 3.32Å; R59-Q62 PolarHBondContact O-N 3.5Å; R59-M63 HydrophobicContact CG-CG 4.44Å; R59-M63 HydrophobicContact CG-SD 3.93Å; R59-M63 WeakPolarHBondContact O-CB 3.5Å; R59-M63 VanDerWaalsContact O-CG 3.28Å; R59-M63 WeakPolarHBondContact O-CG 3.33Å; R59-M63 PolarHBondContact O-N 3.45Å
60	A	95.2	Very high	95.7	Very high	7 Å²	7	76.6 Å²	76.6	6%	0.058	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-44.2	175.6	0	0	0	0	0	110.9	I56 V57 Q62 M63 K64 L65 L67	I56-A60 PolarHBondContact O-N 3.37Å; V57-A60 WeakPolarHBondContact O-CB 3.44Å; V57-A60 PolarHBondContact O-N 3.16Å; A60-Q62 PolarHBondContact O-N 2.98Å; A60-M63 CarbonylContact O-C 3.58Å; A60-M63 PolarHBondContact O-N 3.25Å; A60-K64 PolarHBondContact O-N 3.43Å; A60-L65 HydrophobicContact CB-CB 4.26Å; A60-L65 PolarHBondContact O-N 3.4Å; A60-L67 HydrophobicContact CB-CD1 3.62Å; A60-L67 HydrophobicContact CB-CD2 3.79Å; A60-L67 HydrophobicContact CB-CG 3.51Å
61	E	94.1	Very high	95.7	Very high	116 Å²	116	79.4 Å²	79.4	54%	0.542	38%	0.38	S	S	.	.	H	α-helix	trans	-59	-47.7	175	-68.9	178.2	166.2	0	0	112.3	V57 R59 M63 K64 H97	V57-E61 WeakPolarHBondContact O-CG 3.36Å; V57-E61 PolarHBondContact O-N 3.06Å; R59-E61 VanDerWaalsContact C-N 3.32Å; E61-M63 VanDerWaalsContact C-N 3.25Å; E61-M63 PolarHBondContact O-N 3.26Å; E61-K64 PolarHBondContact O-N 2.93Å; E61-H97 IonicContact OE1-CE1 3.98Å
62	Q	95.1	Very high	95.7	Very high	153 Å²	153	80 Å²	80	72%	0.715	39%	0.385	S	S	*	.	H	α-helix	trans	-59.6	-37.3	176.9	-73.2	167.7	20.2	0	0	112.4	E58 R59 A60 K64	E58-Q62 WeakPolarHBondContact O-CG 3.31Å; E58-Q62 PolarHBondContact O-N 3.46Å; R59-Q62 PolarHBondContact O-N 3.5Å; A60-Q62 PolarHBondContact O-N 2.98Å; Q62-K64 VanDerWaalsContact C-N 3.28Å
63	M	94.8	Very high	95.6	Very high	111 Å²	111	85 Å²	85	55%	0.547	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.4	177.8	-65.7	179.6	66.9	0	0	113.1	R59 A60 E61 L65	R59-M63 HydrophobicContact CG-CG 4.44Å; R59-M63 HydrophobicContact CG-SD 3.93Å; R59-M63 WeakPolarHBondContact O-CB 3.5Å; R59-M63 VanDerWaalsContact O-CG 3.28Å; R59-M63 WeakPolarHBondContact O-CG 3.33Å; R59-M63 PolarHBondContact O-N 3.45Å; A60-M63 CarbonylContact O-C 3.58Å; A60-M63 PolarHBondContact O-N 3.25Å; E61-M63 VanDerWaalsContact C-N 3.25Å; E61-M63 PolarHBondContact O-N 3.26Å; M63-L65 HydrophobicContact CB-CD1 3.89Å; M63-L65 HydrophobicContact CB-CG 3.81Å; M63-L65 HydrophobicContact CE-CD1 3.98Å; M63-L65 PolarHBondContact O-N 2.9Å; M63-L65 HydrophobicContact SD-CD1 4.25Å
64	K	95.1	Very high	95.3	Very high	196 Å²	196	85.3 Å²	85.3	85%	0.852	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	40.8	-173.1	-55.6	-178.9	-179.9	-178.6	0	112.4	A60 E61 Q62	A60-K64 PolarHBondContact O-N 3.43Å; E61-K64 PolarHBondContact O-N 2.93Å; Q62-K64 VanDerWaalsContact C-N 3.28Å
65	L	95	Very high	94.9	Very high	100 Å²	100	82.4 Å²	82.4	52%	0.524	41%	0.412	S	S	.	.			trans	-95.6	134.5	174	-63.8	176	0	0	0	109.4	A60 M63	A60-L65 HydrophobicContact CB-CB 4.26Å; A60-L65 PolarHBondContact O-N 3.4Å; M63-L65 HydrophobicContact CB-CD1 3.89Å; M63-L65 HydrophobicContact CB-CG 3.81Å; M63-L65 HydrophobicContact CE-CD1 3.98Å; M63-L65 PolarHBondContact O-N 2.9Å; M63-L65 HydrophobicContact SD-CD1 4.25Å
66	E	94.1	Very high	94.6	Very high	194 Å²	194	83.5 Å²	83.5	91%	0.907	42%	0.417	S	S	*	.			trans	-85.1	118	171	-171.5	174.2	177.9	0	0	108.7
67	L	95	Very high	94.4	Very high	44 Å²	44	83.5 Å²	83.5	23%	0.23	42%	0.423	C	S	.	.			trans	-83.3	113.8	176.2	-69.9	175.9	0	0	0	109.6	I56 V57 A60 L70 V100	I56-L67 HydrophobicContact CG2-CD1 4.37Å; V57-L67 HydrophobicContact CB-CD1 4.46Å; V57-L67 HydrophobicContact CG2-CD1 4.08Å; A60-L67 HydrophobicContact CB-CD1 3.62Å; A60-L67 HydrophobicContact CB-CD2 3.79Å; A60-L67 HydrophobicContact CB-CG 3.51Å; L67-L70 HydrophobicContact CD1-CD2 4.24Å; L67-V100 HydrophobicContact CB-CG1 3.87Å; L67-V100 HydrophobicContact CB-CG2 3.99Å
68	E	95.8	Very high	94.2	Very high	166 Å²	166	86.8 Å²	86.8	78%	0.776	46%	0.458	S	S	*	.			trans	-74	-38.1	174.9	-175.1	177.9	179.8	0	0	111.9	P101	E68-P101 WeakPolarHBondContact O-CD 3.28Å
69	M	96.4	Very high	94.1	Very high	85 Å²	85	90 Å²	90	42%	0.419	47%	0.466	S	S	.	.			trans	-164.1	159.4	179.5	63.1	-174.4	-65	0	0	111.7	V71 P101 F103	M69-V71 HydrophobicContact CE-CG2 3.31Å; M69-V71 HydrophobicContact SD-CG2 4.47Å; M69-P101 HydrophobicContact CB-CG 4.01Å; M69-F103 HydrophobicContact CB-CD2 4.43Å; M69-F103 HydrophobicContact CB-CE2 4.23Å; M69-F103 HydrophobicContact CE-CD2 3.4Å; M69-F103 HydrophobicContact CE-CE2 3.52Å; M69-F103 HydrophobicContact CE-CG 4.22Å; M69-F103 HydrophobicContact CE-CZ 4.42Å
70	L	97.3	Very high	94.1	Very high	16 Å²	16	92.7 Å²	92.7	8%	0.084	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.1	168	-65.7	178.6	0	0	0	110.1	V53 I56 V57 L67 V100 P101 L102 F103	V53-L70 HydrophobicContact CG1-CD1 4.04Å; I56-L70 HydrophobicContact CG2-CD2 3.59Å; V57-L70 HydrophobicContact CG2-CD1 4.1Å; L67-L70 HydrophobicContact CD1-CD2 4.24Å; L70-V100 HydrophobicContact CD1-CG1 4.32Å; L70-V100 HydrophobicContact CG-CG1 3.89Å; L70-P101 PolarHBondContact N-O 3.01Å; L70-L102 HydrophobicContact CB-CD1 3.61Å; L70-F103 PolarHBondContact O-N 3Å
71	V	96.9	Very high	94.1	Very high	75 Å²	75	96.5 Å²	96.5	46%	0.455	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	109.8	174.5	-175.2	0	0	0	0	109.2	M69 I73 F103 W105	M69-V71 HydrophobicContact CE-CG2 3.31Å; M69-V71 HydrophobicContact SD-CG2 4.47Å; V71-I73 HydrophobicContact CG1-CG1 4.42Å; V71-F103 HydrophobicContact CG2-CB 4.4Å; V71-W105 HydrophobicContact CG1-CE3 4.49Å
72	A	96.3	Very high	94.1	Very high	15 Å²	15	95 Å²	95	12%	0.124	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.4	172.5	0	0	0	0	0	109.9	F49 L102 F103 L104 W105	F49-A72 HydrophobicContact CD2-CB 4.46Å; F49-A72 HydrophobicContact CE2-CB 3.34Å; F49-A72 HydrophobicContact CZ-CB 3.56Å; A72-L102 HydrophobicContact CB-CD1 4.29Å; A72-F103 PolarHBondContact N-O 3.42Å; A72-L104 HydrophobicContact CB-CD1 3.63Å; A72-W105 PolarHBondContact O-N 3.23Å
73	I	94.6	Very high	94.1	Very high	135 Å²	135	89 Å²	89	69%	0.692	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.2	177.4	-56.4	175.3	0	0	0	108.6	V71 W105	V71-I73 HydrophobicContact CG1-CG1 4.42Å; I73-W105 CarbonylContact C-O 3.6Å; I73-W105 WeakPolarHBondContact CA-O 3.44Å; I73-W105 HydrophobicContact CD1-CE3 4.37Å; I73-W105 HydrophobicContact CD1-CZ3 4.49Å; I73-W105 HydrophobicContact CG1-CE3 4.18Å
74	G	92	Very high	94.2	Very high	19 Å²	19	88.6 Å²	88.6	20%	0.196	46%	0.462	C	S	.	.			trans	113.4	-150.7	-177.8	0	0	0	0	0	113.2	L76 L104 W105	G74-L76 PolarHBondContact O-N 2.94Å; G74-L104 WeakPolarHBondContact O-CD1 3.39Å; G74-W105 PolarHBondContact N-O 2.72Å
75	G	87.1	Confident	94.2	Very high	29 Å²	29	80 Å²	80	30%	0.299	43%	0.429	S	S	.	.			trans	76.1	-27.7	170.6	0	0	0	0	0	117.3	C77 C86	G75-C77 PolarHBondContact O-N 3.07Å; G75-C86 VanDerWaalsContact CA-SG 3.52Å
76	L	90.4	Very high	94.3	Very high	35 Å²	35	75.7 Å²	75.7	18%	0.183	41%	0.407	C	S	.	.	S	Bend	trans	-92.9	20.9	-175.9	-58.2	174.3	0	0	0	114.8	G74 V83 L104 H106 L111	G74-L76 PolarHBondContact O-N 2.94Å; L76-V83 HydrophobicContact CD2-CG1 3.97Å; L76-L104 HydrophobicContact CD1-CD2 4.18Å; L76-L104 HydrophobicContact CD1-CG 4.03Å; L76-L104 HydrophobicContact CD2-CD2 3.43Å; L76-L104 VanDerWaalsContact CD2-CD2 3.43Å; L76-L104 HydrophobicContact CD2-CG 4.18Å; L76-L104 HydrophobicContact CG-CD2 3.7Å; L76-L104 HydrophobicContact CG-CG 3.9Å; L76-H106 HydrophobicContact CB-CB 3.64Å; L76-H106 HydrophobicContact CD1-CB 3.86Å; L76-H106 HydrophobicContact CG-CB 4.04Å; L76-L111 HydrophobicContact CD1-CD1 3.38Å; L76-L111 HydrophobicContact CD1-CD2 3.91Å; L76-L111 HydrophobicContact CD1-CG 4.21Å; L76-L111 HydrophobicContact CD2-CD2 3.96Å
77	C	91.2	Very high	94.5	Very high	75 Å²	75	66.9 Å²	66.9	51%	0.507	37%	0.367	S	S	.	.	S	Bend	trans	-144.6	166.5	177.5	79	0	0	0	0	112.4	G75 H106	G75-C77 PolarHBondContact O-N 3.07Å; C77-H106 PolarHBondContact SG-CE1 2.82Å
78	G	91.5	Very high	94.5	Very high	74 Å²	74	69.7 Å²	69.7	76%	0.763	38%	0.379	S	S	*	.	S	Bend	trans	91.8	-127.9	175.6	0	0	0	0	0	111.7	F80	G78-F80 PolarHBondContact O-N 3.2Å
79	R	93.5	Very high	94.6	Very high	152 Å²	152	62 Å²	62	57%	0.574	34%	0.343	S	S	*	.	S	Bend	trans	-60	121.1	175.3	-89.4	177.1	62.8	-173.5	-4.1	109.8	D81 H82 V83	R79-D81 VanDerWaalsContact C-N 3.29Å; R79-D81 WeakPolarHBondContact CB-OD1 3.43Å; R79-D81 IonicContact CZ-OD2 3.44Å; R79-D81 IonicContact NE-OD1 3.4Å; R79-D81 PolarHBondContact NE-OD1 3Å; R79-D81 IonicContact NE-OD2 3.39Å; R79-D81 PolarHBondContact NE-OD2 3.37Å; R79-D81 IonicContact NH2-OD2 2.71Å; R79-D81 PolarHBondContact NH2-OD2 2.82Å; R79-D81 PolarHBondContact O-N 3.37Å; R79-H82 HydrophobicContact CB-CB 4.25Å; R79-H82 PolarHBondContact NE-NE2 2.99Å; R79-H82 VanDerWaalsContact NE-NE2 3.19Å; R79-H82 PolarHBondContact NH1-NE2 3.47Å; R79-H82 VanDerWaalsContact NH1-NE2 3.18Å; R79-H82 PolarHBondContact NH2-NE2 3.29Å; R79-H82 VanDerWaalsContact O-CB 3.28Å; R79-H82 WeakPolarHBondContact O-CB 3.36Å; R79-H82 PolarHBondContact O-N 2.79Å; R79-V83 PolarHBondContact O-N 3.25Å
80	F	94.4	Very high	94.7	Very high	149 Å²	149	58 Å²	58	65%	0.654	32%	0.323	S	S	*	.	H	α-helix	trans	-66.8	-32.7	-172.5	-172.3	-112.7	0	0	0	112.8	G78 H82 V83 F84	G78-F80 PolarHBondContact O-N 3.2Å; F80-H82 PolarHBondContact O-N 3.01Å; F80-V83 WeakPolarHBondContact O-CB 3.27Å; F80-V83 PolarHBondContact O-N 3.36Å; F80-V83 VanDerWaalsContact O-N 3.13Å; F80-F84 HydrophobicContact CE1-CD2 4.04Å; F80-F84 AromaticContact CE1-CE2 3.73Å; F80-F84 HydrophobicContact CE1-CE2 3.73Å; F80-F84 HydrophobicContact CE2-CE2 4.14Å; F80-F84 HydrophobicContact CZ-CD2 4.12Å; F80-F84 AromaticContact CZ-CE2 3.49Å; F80-F84 HydrophobicContact CZ-CE2 3.49Å; F80-F84 VanDerWaalsContact CZ-CE2 3.49Å; F80-F84 PolarHBondContact O-N 3.19Å
81	D	95.1	Very high	94.7	Very high	88 Å²	88	58.7 Å²	58.7	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-34.2	171.4	57.5	-61.8	0	0	0	112.1	R79 V83 F84 G85	R79-D81 VanDerWaalsContact C-N 3.29Å; R79-D81 WeakPolarHBondContact CB-OD1 3.43Å; R79-D81 IonicContact CZ-OD2 3.44Å; R79-D81 IonicContact NE-OD1 3.4Å; R79-D81 PolarHBondContact NE-OD1 3Å; R79-D81 IonicContact NE-OD2 3.39Å; R79-D81 PolarHBondContact NE-OD2 3.37Å; R79-D81 IonicContact NH2-OD2 2.71Å; R79-D81 PolarHBondContact NH2-OD2 2.82Å; R79-D81 PolarHBondContact O-N 3.37Å; D81-V83 VanDerWaalsContact C-N 3.31Å; D81-V83 PolarHBondContact O-N 2.76Å; D81-F84 PolarHBondContact O-N 3.48Å; D81-G85 PolarHBondContact O-N 2.95Å
82	H	93.9	Very high	94.7	Very high	85 Å²	85	58 Å²	58	39%	0.394	32%	0.319	S	S	.	.	H	α-helix	trans	-66.1	-33.9	175.1	-65.7	-169.8	0	0	0	112.3	R79 F80 F84 G85 C86	R79-H82 HydrophobicContact CB-CB 4.25Å; R79-H82 PolarHBondContact NE-NE2 2.99Å; R79-H82 VanDerWaalsContact NE-NE2 3.19Å; R79-H82 PolarHBondContact NH1-NE2 3.47Å; R79-H82 VanDerWaalsContact NH1-NE2 3.18Å; R79-H82 PolarHBondContact NH2-NE2 3.29Å; R79-H82 VanDerWaalsContact O-CB 3.28Å; R79-H82 WeakPolarHBondContact O-CB 3.36Å; R79-H82 PolarHBondContact O-N 2.79Å; F80-H82 PolarHBondContact O-N 3.01Å; H82-F84 VanDerWaalsContact C-N 3.35Å; H82-F84 PolarHBondContact O-N 2.8Å; H82-G85 PolarHBondContact O-N 3.33Å; H82-C86 PolarHBondContact O-N 2.71Å; H82-C86 PolarHBondContact O-SG 3.19Å
83	V	95.8	Very high	94.8	Very high	25 Å²	25	57.7 Å²	57.7	15%	0.152	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-48.7	177.5	-179.9	0	0	0	0	109.7	L76 R79 F80 D81 C86 V87	L76-V83 HydrophobicContact CD2-CG1 3.97Å; R79-V83 PolarHBondContact O-N 3.25Å; F80-V83 WeakPolarHBondContact O-CB 3.27Å; F80-V83 PolarHBondContact O-N 3.36Å; F80-V83 VanDerWaalsContact O-N 3.13Å; D81-V83 VanDerWaalsContact C-N 3.31Å; D81-V83 PolarHBondContact O-N 2.76Å; V83-C86 WeakPolarHBondContact O-CB 3.42Å; V83-C86 PolarHBondContact O-N 3Å; V83-V87 PolarHBondContact O-N 3.14Å; V83-V87 VanDerWaalsContact O-N 3.12Å
84	F	96	Very high	94.9	Very high	103 Å²	103	52.3 Å²	52.3	45%	0.452	29%	0.287	S	S	.	.	H	α-helix	trans	-72.4	-27.3	176.1	-82.1	-86.7	0	0	0	113.3	F80 D81 H82 C86 V87 Q88	F80-F84 HydrophobicContact CE1-CD2 4.04Å; F80-F84 AromaticContact CE1-CE2 3.73Å; F80-F84 HydrophobicContact CE1-CE2 3.73Å; F80-F84 HydrophobicContact CE2-CE2 4.14Å; F80-F84 HydrophobicContact CZ-CD2 4.12Å; F80-F84 AromaticContact CZ-CE2 3.49Å; F80-F84 HydrophobicContact CZ-CE2 3.49Å; F80-F84 VanDerWaalsContact CZ-CE2 3.49Å; F80-F84 PolarHBondContact O-N 3.19Å; D81-F84 PolarHBondContact O-N 3.48Å; H82-F84 VanDerWaalsContact C-N 3.35Å; H82-F84 PolarHBondContact O-N 2.8Å; F84-C86 VanDerWaalsContact C-N 3.29Å; F84-C86 PolarHBondContact O-N 3.15Å; F84-V87 PolarHBondContact O-N 2.89Å; F84-Q88 WeakPolarHBondContact O-CB 3.43Å; F84-Q88 PolarHBondContact O-N 3.36Å
85	G	96.2	Very high	95.1	Very high	15 Å²	15	57.3 Å²	57.3	16%	0.155	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-36.7	167.9	0	0	0	0	0	112.8	D81 H82 S89	D81-G85 PolarHBondContact O-N 2.95Å; H82-G85 PolarHBondContact O-N 3.33Å; G85-S89 PolarHBondContact O-N 3.07Å; G85-S89 PolarHBondContact O-OG 2.7Å
86	C	97.1	Very high	95.6	Very high	10 Å²	10	61.1 Å²	61.1	7%	0.068	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-46.3	173.1	-63.1	0	0	0	0	111.4	F49 G75 H82 V83 F84 Q88 S89 M90 L104	F49-C86 HydrophobicContact CD1-CB 4.06Å; F49-C86 HydrophobicContact CE1-CB 4.19Å; G75-C86 VanDerWaalsContact CA-SG 3.52Å; H82-C86 PolarHBondContact O-N 2.71Å; H82-C86 PolarHBondContact O-SG 3.19Å; V83-C86 WeakPolarHBondContact O-CB 3.42Å; V83-C86 PolarHBondContact O-N 3Å; F84-C86 VanDerWaalsContact C-N 3.29Å; F84-C86 PolarHBondContact O-N 3.15Å; C86-Q88 PolarHBondContact O-N 3.06Å; C86-S89 WeakPolarHBondContact O-CB 3.41Å; C86-S89 PolarHBondContact O-N 3.34Å; C86-S89 VanDerWaalsContact O-N 3.13Å; C86-M90 WeakPolarHBondContact O-CG 3.46Å; C86-M90 PolarHBondContact O-N 2.8Å; C86-L104 HydrophobicContact CB-CD2 3.72Å
87	V	97.2	Very high	95.8	Very high	9 Å²	9	61 Å²	61	6%	0.055	32%	0.318	C	S	.	.	H	α-helix	trans	-61	-44.2	176.4	179.6	0	0	0	0	111.1	V83 F84 S89 M90 F91 V137	V83-V87 PolarHBondContact O-N 3.14Å; V83-V87 VanDerWaalsContact O-N 3.12Å; F84-V87 PolarHBondContact O-N 2.89Å; V87-S89 VanDerWaalsContact C-N 3.28Å; V87-S89 PolarHBondContact O-N 3.13Å; V87-M90 WeakPolarHBondContact O-CB 3.45Å; V87-M90 PolarHBondContact O-N 2.87Å; V87-F91 HydrophobicContact CG1-CD2 4.08Å; V87-F91 HydrophobicContact CG1-CE2 3.83Å; V87-F91 WeakPolarHBondContact O-CD2 3.2Å; V87-F91 PolarHBondContact O-N 2.78Å; V87-V137 HydrophobicContact CG1-CB 4.43Å; V87-V137 HydrophobicContact CG1-CG1 3.85Å; V87-V137 HydrophobicContact CG1-CG2 4.45Å
88	Q	96.7	Very high	96	Very high	104 Å²	104	61.4 Å²	61.4	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-55.4	-44	173.3	174.7	60.7	24.6	0	0	111.8	F84 C86 M90 F91 L92	F84-Q88 WeakPolarHBondContact O-CB 3.43Å; F84-Q88 PolarHBondContact O-N 3.36Å; C86-Q88 PolarHBondContact O-N 3.06Å; Q88-M90 VanDerWaalsContact C-N 3.25Å; Q88-M90 PolarHBondContact O-N 3.48Å; Q88-F91 PolarHBondContact O-N 3.42Å; Q88-F91 VanDerWaalsContact O-N 3.14Å; Q88-L92 HydrophobicContact CG-CD1 4.26Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 2.92Å
89	S	97.3	Very high	96.1	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-32.8	178.4	-55.7	0	0	0	0	112.2	F49 T50 G85 C86 V87 H93	F49-S89 VanDerWaalsContact CD1-CB 3.42Å; T50-S89 PolarHBondContact OG1-OG 3.02Å; G85-S89 PolarHBondContact O-N 3.07Å; G85-S89 PolarHBondContact O-OG 2.7Å; C86-S89 WeakPolarHBondContact O-CB 3.41Å; C86-S89 PolarHBondContact O-N 3.34Å; C86-S89 VanDerWaalsContact O-N 3.13Å; V87-S89 VanDerWaalsContact C-N 3.28Å; V87-S89 PolarHBondContact O-N 3.13Å; S89-H93 WeakPolarHBondContact O-CB 3.2Å; S89-H93 PolarHBondContact O-N 2.8Å
90	M	97.7	Very high	96.2	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-41.8	173.3	-61.5	172.5	73.5	0	0	111.9	C86 V87 Q88 H93 Q94 L102 L104 L111 L113 L184	C86-M90 WeakPolarHBondContact O-CG 3.46Å; C86-M90 PolarHBondContact O-N 2.8Å; V87-M90 WeakPolarHBondContact O-CB 3.45Å; V87-M90 PolarHBondContact O-N 2.87Å; Q88-M90 VanDerWaalsContact C-N 3.25Å; Q88-M90 PolarHBondContact O-N 3.48Å; M90-H93 PolarHBondContact O-N 2.94Å; M90-Q94 VanDerWaalsContact O-CB 3.29Å; M90-Q94 WeakPolarHBondContact O-CB 3.29Å; M90-Q94 PolarHBondContact O-N 2.84Å; M90-L102 HydrophobicContact CB-CD2 4.49Å; M90-L102 HydrophobicContact CG-CD2 4.05Å; M90-L102 HydrophobicContact CG-CG 4.41Å; M90-L104 HydrophobicContact CE-CB 4.32Å; M90-L104 HydrophobicContact SD-CB 3.95Å; M90-L104 HydrophobicContact SD-CD2 4.06Å; M90-L111 HydrophobicContact CE-CB 4.4Å; M90-L113 HydrophobicContact CB-CD1 3.88Å; M90-L113 HydrophobicContact CB-CG 4.25Å; M90-L113 HydrophobicContact CE-CG 4.42Å; M90-L113 WeakPolarHBondContact O-CD1 3.3Å; M90-L184 HydrophobicContact CE-CD1 4.23Å
91	F	97.6	Very high	96.3	Very high	31 Å²	31	52.2 Å²	52.2	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-45.5	176	-81.9	-87.7	0	0	0	111.9	V87 Q88 H93 Q94 D95 L113 V137 T182	V87-F91 HydrophobicContact CG1-CD2 4.08Å; V87-F91 HydrophobicContact CG1-CE2 3.83Å; V87-F91 WeakPolarHBondContact O-CD2 3.2Å; V87-F91 PolarHBondContact O-N 2.78Å; Q88-F91 PolarHBondContact O-N 3.42Å; Q88-F91 VanDerWaalsContact O-N 3.14Å; F91-H93 PolarHBondContact O-N 2.85Å; F91-Q94 PolarHBondContact O-N 2.85Å; F91-D95 PolarHBondContact O-N 3.46Å; F91-L113 HydrophobicContact CD1-CD1 4.17Å; F91-L113 HydrophobicContact CD2-CD1 4.18Å; F91-L113 HydrophobicContact CD2-CD2 4.43Å; F91-L113 HydrophobicContact CE1-CD1 4.45Å; F91-L113 HydrophobicContact CE1-CD2 4.35Å; F91-L113 HydrophobicContact CE2-CD1 4.44Å; F91-L113 HydrophobicContact CE2-CD2 3.91Å; F91-L113 HydrophobicContact CG-CD1 4.03Å; F91-L113 HydrophobicContact CZ-CD2 3.88Å; F91-V137 HydrophobicContact CE2-CB 3.96Å; F91-V137 HydrophobicContact CE2-CG1 4.05Å; F91-V137 HydrophobicContact CZ-CB 4.06Å; F91-T182 HydrophobicContact CD1-CG2 4.28Å; F91-T182 HydrophobicContact CE1-CG2 3.69Å; F91-T182 HydrophobicContact CZ-CG2 4.37Å
92	L	97.5	Very high	96.5	Very high	60 Å²	60	48.5 Å²	48.5	31%	0.314	25%	0.25	S	S	.	.	H	α-helix	trans	-58.7	-47.3	176.5	-67	173.9	0	0	0	111.5	T50 Q88 Q94 D95 E96	T50-L92 HydrophobicContact CG2-CD1 4.02Å; Q88-L92 HydrophobicContact CG-CD1 4.26Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 2.92Å; L92-Q94 PolarHBondContact O-N 2.87Å; L92-D95 PolarHBondContact O-N 2.85Å; L92-E96 PolarHBondContact O-N 3.03Å
93	H	97.8	Very high	96.6	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-42.7	177.1	178.4	79.2	0	0	0	112.3	V53 S89 M90 F91 D95 E96 H97 V100 L102	V53-H93 HydrophobicContact CG1-CB 4.14Å; V53-H93 WeakPolarHBondContact CG1-ND1 3.41Å; S89-H93 WeakPolarHBondContact O-CB 3.2Å; S89-H93 PolarHBondContact O-N 2.8Å; M90-H93 PolarHBondContact O-N 2.94Å; F91-H93 PolarHBondContact O-N 2.85Å; H93-D95 VanDerWaalsContact C-N 3.27Å; H93-D95 PolarHBondContact O-N 2.84Å; H93-E96 PolarHBondContact O-N 3.17Å; H93-H97 CarbonylContact O-C 3.56Å; H93-H97 WeakPolarHBondContact O-CA 3.4Å; H93-H97 PolarHBondContact O-N 2.84Å; H93-V100 PolarHBondContact CD2-O 3.22Å; H93-V100 PolarHBondContact NE2-O 3.2Å; H93-L102 HydrophobicContact CB-CD2 3.99Å
94	Q	96.8	Very high	96.7	Very high	23 Å²	23	45.3 Å²	45.3	11%	0.107	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-32.3	179.3	-178.2	62.6	79.1	0	0	113	M90 F91 L92 P98 L113 P115	M90-Q94 VanDerWaalsContact O-CB 3.29Å; M90-Q94 WeakPolarHBondContact O-CB 3.29Å; M90-Q94 PolarHBondContact O-N 2.84Å; F91-Q94 PolarHBondContact O-N 2.85Å; L92-Q94 PolarHBondContact O-N 2.87Å; Q94-P98 VanDerWaalsContact NE2-CA 3.27Å; Q94-P98 WeakPolarHBondContact O-CA 3.26Å; Q94-P98 WeakPolarHBondContact O-CB 3.38Å; Q94-L113 HydrophobicContact CB-CD1 3.88Å; Q94-L113 HydrophobicContact CG-CD1 4.27Å; Q94-P115 HydrophobicContact CG-CG 4.08Å
95	D	96.3	Very high	96.7	Very high	123 Å²	123	43.5 Å²	43.5	66%	0.658	22%	0.223	S	C	*	.	H	α-helix	trans	-76.4	-37.9	176.9	-73.1	-14.7	0	0	0	111.8	F91 L92 H93	F91-D95 PolarHBondContact O-N 3.46Å; L92-D95 PolarHBondContact O-N 2.85Å; H93-D95 VanDerWaalsContact C-N 3.27Å; H93-D95 PolarHBondContact O-N 2.84Å
96	E	96.7	Very high	96.6	Very high	110 Å²	110	44.4 Å²	44.4	51%	0.514	22%	0.224	S	C	.	.	H	α-helix	trans	-81.7	-40	-178.6	-70.3	177.4	-166.4	0	0	113.3	L92 H93	L92-E96 PolarHBondContact O-N 3.03Å; H93-E96 PolarHBondContact O-N 3.17Å
97	H	96.4	Very high	96.3	Very high	33 Å²	33	50.6 Å²	50.6	15%	0.153	25%	0.249	C	C	.	.			trans	-133.9	63.2	-171.8	-62.3	-70.2	0	0	0	111.6	V57 E61 H93 E99 V100	V57-H97 WeakPolarHBondContact CG1-CE1 3.46Å; E61-H97 IonicContact OE1-CE1 3.98Å; H93-H97 CarbonylContact O-C 3.56Å; H93-H97 WeakPolarHBondContact O-CA 3.4Å; H93-H97 PolarHBondContact O-N 2.84Å; H97-E99 VanDerWaalsContact C-OE2 3.26Å; H97-E99 IonicContact ND1-OE1 3.42Å; H97-E99 PolarHBondContact O-N 3.46Å; H97-E99 VanDerWaalsContact O-N 3.1Å; H97-V100 PolarHBondContact O-N 2.64Å; H97-V100 VanDerWaalsContact O-N 3.11Å
98	P	95	Very high	96.1	Very high	83 Å²	83	53.9 Å²	53.9	54%	0.539	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.4	-173.4	25.9	-35.7	0	0	0	114.8	Q94	Q94-P98 VanDerWaalsContact NE2-CA 3.27Å; Q94-P98 WeakPolarHBondContact O-CA 3.26Å; Q94-P98 WeakPolarHBondContact O-CB 3.38Å
99	E	93.6	Very high	96	Very high	125 Å²	125	51.6 Å²	51.6	58%	0.584	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.3	177.7	72.7	-68.3	164.8	0	0	113.9	H97 P101	H97-E99 VanDerWaalsContact C-OE2 3.26Å; H97-E99 IonicContact ND1-OE1 3.42Å; H97-E99 PolarHBondContact O-N 3.46Å; H97-E99 VanDerWaalsContact O-N 3.1Å; E99-P101 WeakPolarHBondContact O-CD 3.35Å
100	V	96.3	Very high	96	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.036	27%	0.267	C	S	.	.	S	Bend	trans	-106.4	102.8	-177.8	-172.7	0	0	0	0	109.8	L67 L70 H93 H97 L102	L67-V100 HydrophobicContact CB-CG1 3.87Å; L67-V100 HydrophobicContact CB-CG2 3.99Å; L70-V100 HydrophobicContact CD1-CG1 4.32Å; L70-V100 HydrophobicContact CG-CG1 3.89Å; H93-V100 PolarHBondContact CD2-O 3.22Å; H93-V100 PolarHBondContact NE2-O 3.2Å; H97-V100 PolarHBondContact O-N 2.64Å; H97-V100 VanDerWaalsContact O-N 3.11Å; V100-L102 PolarHBondContact O-N 2.79Å
101	P	96.1	Very high	96	Very high	50 Å²	50	53.8 Å²	53.8	33%	0.325	27%	0.271	S	S	.	.			trans	-65.7	131.5	178	26.7	-34.5	0	0	0	111.4	E68 M69 L70 E99 F103	E68-P101 WeakPolarHBondContact O-CD 3.28Å; M69-P101 HydrophobicContact CB-CG 4.01Å; L70-P101 PolarHBondContact N-O 3.01Å; E99-P101 WeakPolarHBondContact O-CD 3.35Å; P101-F103 HydrophobicContact CB-CD2 4.49Å; P101-F103 HydrophobicContact CB-CE2 3.76Å; P101-F103 HydrophobicContact CB-CZ 4.27Å; P101-F103 HydrophobicContact CG-CE2 4.03Å
102	L	97.8	Very high	96	Very high	11 Å²	11	53.4 Å²	53.4	6%	0.058	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.4	174.1	174.8	59.6	0	0	0	110.6	F49 V53 L70 A72 M90 H93 V100	F49-L102 HydrophobicContact CZ-CD1 4.39Å; F49-L102 HydrophobicContact CZ-CD2 4.08Å; V53-L102 HydrophobicContact CG1-CD2 4.49Å; V53-L102 HydrophobicContact CG2-CD2 4.16Å; L70-L102 HydrophobicContact CB-CD1 3.61Å; A72-L102 HydrophobicContact CB-CD1 4.29Å; M90-L102 HydrophobicContact CB-CD2 4.49Å; M90-L102 HydrophobicContact CG-CD2 4.05Å; M90-L102 HydrophobicContact CG-CG 4.41Å; H93-L102 HydrophobicContact CB-CD2 3.99Å; V100-L102 PolarHBondContact O-N 2.79Å
103	F	97.7	Very high	96	Very high	41 Å²	41	51.2 Å²	51.2	18%	0.18	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.1	174.4	-63.6	-91.1	0	0	0	110.3	M69 L70 V71 A72 P101 L110 L111 F112	M69-F103 HydrophobicContact CB-CD2 4.43Å; M69-F103 HydrophobicContact CB-CE2 4.23Å; M69-F103 HydrophobicContact CE-CD2 3.4Å; M69-F103 HydrophobicContact CE-CE2 3.52Å; M69-F103 HydrophobicContact CE-CG 4.22Å; M69-F103 HydrophobicContact CE-CZ 4.42Å; L70-F103 PolarHBondContact O-N 3Å; V71-F103 HydrophobicContact CG2-CB 4.4Å; A72-F103 PolarHBondContact N-O 3.42Å; P101-F103 HydrophobicContact CB-CD2 4.49Å; P101-F103 HydrophobicContact CB-CE2 3.76Å; P101-F103 HydrophobicContact CB-CZ 4.27Å; P101-F103 HydrophobicContact CG-CE2 4.03Å; F103-L110 HydrophobicContact CB-CD1 4.04Å; F103-L110 HydrophobicContact CD1-CD1 4.18Å; F103-L110 HydrophobicContact CD1-CD2 4.46Å; F103-L110 HydrophobicContact CD1-CG 4.42Å; F103-L111 CarbonylContact C-O 3.58Å; F103-L111 WeakPolarHBondContact CA-O 3.31Å; F103-F112 HydrophobicContact CD1-CB 3.72Å; F103-F112 AromaticContact CD1-CD1 3.72Å; F103-F112 HydrophobicContact CD1-CD1 3.72Å; F103-F112 AromaticContact CD1-CG 3.91Å; F103-F112 HydrophobicContact CD1-CG 3.91Å; F103-F112 HydrophobicContact CE1-CB 3.86Å; F103-F112 AromaticContact CE1-CD1 3.62Å; F103-F112 HydrophobicContact CE1-CD1 3.62Å; F103-F112 HydrophobicContact CE1-CD2 4.28Å; F103-F112 HydrophobicContact CE1-CE1 4.2Å; F103-F112 AromaticContact CE1-CG 3.67Å; F103-F112 HydrophobicContact CE1-CG 3.67Å; F103-F112 HydrophobicContact CG-CB 4.43Å
104	L	97.2	Very high	96	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118	171.8	-176.3	61.5	0	0	0	109.4	F49 A72 G74 L76 C86 M90 L111	F49-L104 HydrophobicContact CZ-CD1 4.49Å; A72-L104 HydrophobicContact CB-CD1 3.63Å; G74-L104 WeakPolarHBondContact O-CD1 3.39Å; L76-L104 HydrophobicContact CD1-CD2 4.18Å; L76-L104 HydrophobicContact CD1-CG 4.03Å; L76-L104 HydrophobicContact CD2-CD2 3.43Å; L76-L104 VanDerWaalsContact CD2-CD2 3.43Å; L76-L104 HydrophobicContact CD2-CG 4.18Å; L76-L104 HydrophobicContact CG-CD2 3.7Å; L76-L104 HydrophobicContact CG-CG 3.9Å; C86-L104 HydrophobicContact CB-CD2 3.72Å; M90-L104 HydrophobicContact CE-CB 4.32Å; M90-L104 HydrophobicContact SD-CB 3.95Å; M90-L104 HydrophobicContact SD-CD2 4.06Å; L104-L111 HydrophobicContact CB-CB 4.34Å; L104-L111 PolarHBondContact N-O 2.88Å; L104-L111 PolarHBondContact O-N 2.95Å
105	W	95.6	Very high	96	Very high	64 Å²	64	51.9 Å²	51.9	24%	0.242	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.7	-176.4	175.7	23.9	0	0	0	111.1	V71 A72 I73 G74 K107 S109 L110 L189 L194	V71-W105 HydrophobicContact CG1-CE3 4.49Å; A72-W105 PolarHBondContact O-N 3.23Å; I73-W105 CarbonylContact C-O 3.6Å; I73-W105 WeakPolarHBondContact CA-O 3.44Å; I73-W105 HydrophobicContact CD1-CE3 4.37Å; I73-W105 HydrophobicContact CD1-CZ3 4.49Å; I73-W105 HydrophobicContact CG1-CE3 4.18Å; G74-W105 PolarHBondContact N-O 2.72Å; W105-K107 PolarHBondContact NE1-O 3.37Å; W105-S109 WeakPolarHBondContact CA-O 3.36Å; W105-L110 HydrophobicContact CB-CD1 3.98Å; W105-L189 HydrophobicContact CD2-CD1 4.47Å; W105-L189 HydrophobicContact CG-CD1 4.33Å; W105-L189 VanDerWaalsContact NE1-CD1 3.33Å; W105-L194 HydrophobicContact CZ2-CD1 3.9Å
106	H	93.6	Very high	96.1	Very high	35 Å²	35	53.2 Å²	53.2	16%	0.162	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	114.9	170.7	-169.8	94.3	0	0	0	111.1	L76 C77 E108 S109	L76-H106 HydrophobicContact CB-CB 3.64Å; L76-H106 HydrophobicContact CD1-CB 3.86Å; L76-H106 HydrophobicContact CG-CB 4.04Å; C77-H106 PolarHBondContact SG-CE1 2.82Å; H106-E108 PolarHBondContact O-N 2.87Å; H106-S109 PolarHBondContact N-O 3.49Å; H106-S109 PolarHBondContact O-N 3.33Å
107	K	91.3	Very high	96.1	Very high	140 Å²	140	49.1 Å²	49.1	61%	0.609	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	-115.6	-177.4	-59.4	178.8	175.6	-176.1	0	111.9	W105 S109	W105-K107 PolarHBondContact NE1-O 3.37Å; K107-S109 VanDerWaalsContact C-N 3.33Å
108	E	93.3	Very high	96.2	Very high	78 Å²	78	54.9 Å²	54.9	36%	0.364	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.6	178.5	-56.9	70.6	-152.1	0	0	112.7	H106 E188 L189 T191	H106-E108 PolarHBondContact O-N 2.87Å; E108-E188 HydrophobicContact CB-CG 4.19Å; E108-E188 CarbonylContact O-C 3.53Å; E108-E188 VanDerWaalsContact O-CA 3.24Å; E108-E188 WeakPolarHBondContact O-CA 3.27Å; E108-L189 PolarHBondContact O-N 2.95Å; E108-T191 HydrophobicContact CB-CG2 4.38Å; E108-T191 HydrophobicContact CG-CG2 3.74Å; E108-T191 PolarHBondContact OE1-OG1 3.46Å
109	S	95.1	Very high	96.4	Very high	56 Å²	56	52.9 Å²	52.9	39%	0.392	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.4	-173.8	-61.7	0	0	0	0	112.3	W105 H106 K107	W105-S109 WeakPolarHBondContact CA-O 3.36Å; H106-S109 PolarHBondContact N-O 3.49Å; H106-S109 PolarHBondContact O-N 3.33Å; K107-S109 VanDerWaalsContact C-N 3.33Å
110	L	96.3	Very high	96.6	Very high	34 Å²	34	55.1 Å²	55.1	18%	0.178	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.4	167	-178.2	67.9	0	0	0	109.7	F103 W105 T186 L187 L189	F103-L110 HydrophobicContact CB-CD1 4.04Å; F103-L110 HydrophobicContact CD1-CD1 4.18Å; F103-L110 HydrophobicContact CD1-CD2 4.46Å; F103-L110 HydrophobicContact CD1-CG 4.42Å; W105-L110 HydrophobicContact CB-CD1 3.98Å; L110-T186 CarbonylContact O-C 3.6Å; L110-T186 WeakPolarHBondContact O-CA 3.5Å; L110-L187 HydrophobicContact CB-CB 4.4Å; L110-L187 PolarHBondContact N-O 3.42Å; L110-L187 PolarHBondContact O-N 2.54Å; L110-L189 HydrophobicContact CB-CD1 4.14Å; L110-L189 HydrophobicContact CB-CD2 4.1Å; L110-L189 HydrophobicContact CB-CG 4.08Å; L110-L189 HydrophobicContact CD2-CD2 4.3Å
111	L	97.6	Very high	96.6	Very high	16 Å²	16	55.7 Å²	55.7	8%	0.084	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.3	-175.8	-73.2	68.3	0	0	0	110.4	L76 M90 F103 L104 L184 F185 T186	L76-L111 HydrophobicContact CD1-CD1 3.38Å; L76-L111 HydrophobicContact CD1-CD2 3.91Å; L76-L111 HydrophobicContact CD1-CG 4.21Å; L76-L111 HydrophobicContact CD2-CD2 3.96Å; M90-L111 HydrophobicContact CE-CB 4.4Å; F103-L111 CarbonylContact C-O 3.58Å; F103-L111 WeakPolarHBondContact CA-O 3.31Å; L104-L111 HydrophobicContact CB-CB 4.34Å; L104-L111 PolarHBondContact N-O 2.88Å; L104-L111 PolarHBondContact O-N 2.95Å; L111-L184 HydrophobicContact CB-CD1 4.22Å; L111-L184 HydrophobicContact CD2-CD1 4.4Å; L111-L184 HydrophobicContact CD2-CD2 4.17Å; L111-F185 WeakPolarHBondContact CA-O 3.32Å; L111-T186 HydrophobicContact CD2-CG2 4.49Å; L111-T186 HydrophobicContact CG-CG2 3.96Å
112	F	98.1	Very high	96.5	Very high	23 Å²	23	58.9 Å²	58.9	10%	0.101	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	158.1	170.5	55.3	-81.7	0	0	0	110.4	F103 L114 I121 F185 L187	F103-F112 HydrophobicContact CD1-CB 3.72Å; F103-F112 AromaticContact CD1-CD1 3.72Å; F103-F112 HydrophobicContact CD1-CD1 3.72Å; F103-F112 AromaticContact CD1-CG 3.91Å; F103-F112 HydrophobicContact CD1-CG 3.91Å; F103-F112 HydrophobicContact CE1-CB 3.86Å; F103-F112 AromaticContact CE1-CD1 3.62Å; F103-F112 HydrophobicContact CE1-CD1 3.62Å; F103-F112 HydrophobicContact CE1-CD2 4.28Å; F103-F112 HydrophobicContact CE1-CE1 4.2Å; F103-F112 AromaticContact CE1-CG 3.67Å; F103-F112 HydrophobicContact CE1-CG 3.67Å; F103-F112 HydrophobicContact CG-CB 4.43Å; F112-L114 HydrophobicContact CD2-CD2 4Å; F112-L114 HydrophobicContact CE2-CD2 3.66Å; F112-L114 HydrophobicContact CE2-CG 4.38Å; F112-I121 HydrophobicContact CE2-CD1 4.12Å; F112-I121 HydrophobicContact CE2-CG1 4.36Å; F112-I121 HydrophobicContact CZ-CD1 3.96Å; F112-I121 HydrophobicContact CZ-CG1 4.3Å; F112-I121 HydrophobicContact CZ-CG2 4.24Å; F112-F185 HydrophobicContact CD2-CB 4.49Å; F112-F185 AromaticContact CE1-CD1 3.75Å; F112-F185 HydrophobicContact CE1-CD1 3.75Å; F112-F185 HydrophobicContact CE2-CB 4.15Å; F112-F185 HydrophobicContact CE2-CD1 4.23Å; F112-F185 HydrophobicContact CE2-CG 4.46Å; F112-F185 HydrophobicContact CZ-CB 4.16Å; F112-F185 AromaticContact CZ-CD1 3.46Å; F112-F185 HydrophobicContact CZ-CD1 3.46Å; F112-F185 VanDerWaalsContact CZ-CD1 3.46Å; F112-F185 HydrophobicContact CZ-CE1 4.19Å; F112-F185 HydrophobicContact CZ-CG 4.11Å; F112-F185 PolarHBondContact N-O 2.81Å; F112-F185 VanDerWaalsContact N-O 3.13Å; F112-F185 PolarHBondContact O-N 2.71Å; F112-L187 HydrophobicContact CE1-CD1 4.02Å
113	L	98.1	Very high	96.2	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.073	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	144	177.3	-66.1	176.7	0	0	0	110.7	M90 F91 Q94 T182 L184	M90-L113 HydrophobicContact CB-CD1 3.88Å; M90-L113 HydrophobicContact CB-CG 4.25Å; M90-L113 HydrophobicContact CE-CG 4.42Å; M90-L113 WeakPolarHBondContact O-CD1 3.3Å; F91-L113 HydrophobicContact CD1-CD1 4.17Å; F91-L113 HydrophobicContact CD2-CD1 4.18Å; F91-L113 HydrophobicContact CD2-CD2 4.43Å; F91-L113 HydrophobicContact CE1-CD1 4.45Å; F91-L113 HydrophobicContact CE1-CD2 4.35Å; F91-L113 HydrophobicContact CE2-CD1 4.44Å; F91-L113 HydrophobicContact CE2-CD2 3.91Å; F91-L113 HydrophobicContact CG-CD1 4.03Å; F91-L113 HydrophobicContact CZ-CD2 3.88Å; Q94-L113 HydrophobicContact CB-CD1 3.88Å; Q94-L113 HydrophobicContact CG-CD1 4.27Å; L113-T182 HydrophobicContact CB-CG2 4.13Å; L113-T182 HydrophobicContact CD1-CG2 4.25Å; L113-T182 HydrophobicContact CD2-CG2 4.07Å; L113-T182 HydrophobicContact CG-CG2 4.38Å; L113-L184 HydrophobicContact CD2-CB 4.08Å; L113-L184 HydrophobicContact CD2-CD1 3.82Å
114	L	97.9	Very high	95.9	Very high	7 Å²	7	61.6 Å²	61.6	4%	0.037	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	104.7	167.8	-61.8	179.6	0	0	0	107.3	F112 H119 I121 V177 T179 T182 L183 F185	F112-L114 HydrophobicContact CD2-CD2 4Å; F112-L114 HydrophobicContact CE2-CD2 3.66Å; F112-L114 HydrophobicContact CE2-CG 4.38Å; L114-H119 HydrophobicContact CD2-CB 3.99Å; L114-I121 HydrophobicContact CD1-CD1 4.26Å; L114-I121 HydrophobicContact CD2-CD1 4.4Å; L114-V177 HydrophobicContact CD1-CB 3.91Å; L114-V177 HydrophobicContact CD1-CG1 3.85Å; L114-V177 HydrophobicContact CD1-CG2 4.03Å; L114-T179 HydrophobicContact CB-CG2 4.47Å; L114-T182 CarbonylContact O-C 3.56Å; L114-T182 VanDerWaalsContact O-CA 3.28Å; L114-T182 WeakPolarHBondContact O-CA 3.29Å; L114-L183 HydrophobicContact CB-CB 4.41Å; L114-L183 PolarHBondContact N-O 3.27Å; L114-L183 PolarHBondContact O-N 2.98Å; L114-F185 HydrophobicContact CD1-CB 3.9Å; L114-F185 HydrophobicContact CD1-CD2 4.01Å; L114-F185 HydrophobicContact CD1-CG 4.21Å; L114-F185 HydrophobicContact CG-CB 4.04Å
115	P	96.8	Very high	95.5	Very high	39 Å²	39	65 Å²	65	25%	0.253	31%	0.313	S	S	.	.			trans	-56.3	170.7	171.9	-28.8	36.7	0	0	0	113	Q94 G117 H119 T179	Q94-P115 HydrophobicContact CG-CG 4.08Å; P115-G117 PolarHBondContact O-N 3.18Å; P115-H119 PolarHBondContact O-NE2 3.21Å; P115-T179 WeakPolarHBondContact O-CG2 3.21Å
116	Q	97.1	Very high	95.2	Very high	150 Å²	150	64.7 Å²	64.7	70%	0.701	32%	0.321	S	S	*	.	S	Bend	trans	-54.1	134	169.9	176.5	-178.5	-2.9	0	0	110.9	T179 S180	Q116-T179 WeakPolarHBondContact CA-O 3.28Å; Q116-S180 VanDerWaalsContact CG-O 3.31Å; Q116-S180 WeakPolarHBondContact CG-O 3.45Å
117	G	97.7	Very high	95.1	Very high	25 Å²	25	66.9 Å²	66.9	26%	0.258	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	127.8	-164.4	176.9	0	0	0	0	0	113.5	P115 H119 N178 T179	P115-G117 PolarHBondContact O-N 3.18Å; G117-H119 PolarHBondContact O-CD2 3.04Å; G117-N178 WeakPolarHBondContact O-CA 3.31Å; G117-N178 PolarHBondContact O-OD1 3.37Å; G117-T179 PolarHBondContact N-O 2.98Å; G117-T179 PolarHBondContact O-N 3.27Å
118	E	98.1	Very high	95.1	Very high	153 Å²	153	60.7 Å²	60.7	72%	0.715	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	130	-177.5	-174.3	175.7	-175.8	0	0	111.3	V177	E118-V177 CarbonylContact C-O 3.59Å
119	H	98.2	Very high	95.1	Very high	42 Å²	42	59.5 Å²	59.5	19%	0.194	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.1	-176.8	-59.5	-82.1	0	0	0	110.5	L114 P115 G117 T176 V177	L114-H119 HydrophobicContact CD2-CB 3.99Å; P115-H119 PolarHBondContact O-NE2 3.21Å; G117-H119 PolarHBondContact O-CD2 3.04Å; H119-T176 CarbonylContact O-C 3.53Å; H119-T176 VanDerWaalsContact O-CA 3.26Å; H119-T176 WeakPolarHBondContact O-CA 3.35Å; H119-V177 PolarHBondContact N-O 3.41Å; H119-V177 PolarHBondContact O-N 2.8Å
120	R	97.9	Very high	95.1	Very high	172 Å²	172	56.8 Å²	56.8	65%	0.649	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	113.4	172.7	-175.5	-179.7	179.7	-171.6	0.2	109.3	L122 Q174	R120-L122 HydrophobicContact CG-CD2 4.38Å; R120-Q174 HydrophobicContact CG-CG 4.11Å
121	I	96.7	Very high	95.1	Very high	18 Å²	18	59.2 Å²	59.2	9%	0.092	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.1	-179.4	-55	166.1	0	0	0	107.5	F112 L114 L123 Q174 V175 V177 F185	F112-I121 HydrophobicContact CE2-CD1 4.12Å; F112-I121 HydrophobicContact CE2-CG1 4.36Å; F112-I121 HydrophobicContact CZ-CD1 3.96Å; F112-I121 HydrophobicContact CZ-CG1 4.3Å; F112-I121 HydrophobicContact CZ-CG2 4.24Å; L114-I121 HydrophobicContact CD1-CD1 4.26Å; L114-I121 HydrophobicContact CD2-CD1 4.4Å; I121-L123 HydrophobicContact CG2-CD1 4.49Å; I121-L123 HydrophobicContact CG2-CD2 3.75Å; I121-L123 HydrophobicContact CG2-CG 4.01Å; I121-Q174 VanDerWaalsContact O-CA 3.28Å; I121-Q174 WeakPolarHBondContact O-CA 3.36Å; I121-V175 HydrophobicContact CB-CB 4.39Å; I121-V175 PolarHBondContact N-O 2.8Å; I121-V175 PolarHBondContact O-N 3.5Å; I121-V177 HydrophobicContact CD1-CG2 4.29Å; I121-F185 HydrophobicContact CD1-CD1 3.9Å; I121-F185 HydrophobicContact CD1-CD2 4.06Å; I121-F185 HydrophobicContact CD1-CE1 3.75Å; I121-F185 HydrophobicContact CD1-CE2 3.96Å; I121-F185 HydrophobicContact CD1-CG 4.04Å; I121-F185 HydrophobicContact CD1-CZ 3.8Å
122	L	95.2	Very high	95.1	Very high	116 Å²	116	58.7 Å²	58.7	61%	0.607	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.8	174.4	-61.5	177.8	0	0	0	109.3	R120 Q174	R120-L122 HydrophobicContact CG-CD2 4.38Å; L122-Q174 HydrophobicContact CD2-CB 4.06Å; L122-Q174 HydrophobicContact CD2-CG 3.97Å
123	L	91.6	Very high	95.2	Very high	20 Å²	20	57.8 Å²	57.8	11%	0.105	29%	0.29	C	S	.	.			trans	-128.1	132.5	-171.1	-61.4	168.7	0	0	0	110.9	I121 R125 V170 N173 V175 L187	I121-L123 HydrophobicContact CG2-CD1 4.49Å; I121-L123 HydrophobicContact CG2-CD2 3.75Å; I121-L123 HydrophobicContact CG2-CG 4.01Å; L123-R125 PolarHBondContact O-N 3.12Å; L123-V170 HydrophobicContact CD1-CB 4.13Å; L123-V170 HydrophobicContact CD1-CG1 3.89Å; L123-V170 HydrophobicContact CD1-CG2 3.69Å; L123-N173 PolarHBondContact N-O 2.94Å; L123-N173 WeakPolarHBondContact O-CB 3.36Å; L123-V175 HydrophobicContact CD1-CG2 4.33Å; L123-L187 HydrophobicContact CD1-CD2 4.16Å; L123-L187 HydrophobicContact CD2-CD1 3.46Å; L123-L187 VanDerWaalsContact CD2-CD1 3.46Å; L123-L187 HydrophobicContact CD2-CD2 4.15Å; L123-L187 HydrophobicContact CD2-CG 4.47Å
124	D	90.6	Very high	95.2	Very high	90 Å²	90	57.1 Å²	57.1	48%	0.481	29%	0.286	S	S	.	.			trans	-82.1	109.8	162.1	-170.4	-20.4	0	0	0	109	S126 L127 T128	D124-S126 PolarHBondContact O-N 3.2Å; D124-S126 VanDerWaalsContact OD1-CB 3.27Å; D124-S126 WeakPolarHBondContact OD1-CB 3.32Å; D124-S126 PolarHBondContact OD1-N 2.88Å; D124-S126 PolarHBondContact OD1-OG 3.5Å; D124-S126 PolarHBondContact OD2-OG 3.19Å; D124-L127 HydrophobicContact CB-CB 4.43Å; D124-L127 HydrophobicContact CB-CD1 4.05Å; D124-L127 HydrophobicContact CB-CG 4.08Å; D124-L127 PolarHBondContact O-N 2.99Å; D124-T128 PolarHBondContact O-N 3.22Å
125	R	88.9	Confident	95.2	Very high	73 Å²	73	58.7 Å²	58.7	28%	0.275	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13	178.7	-69.5	-55.6	-54.4	-136.8	-6.2	114.1	L123 L127 T128 T129 G130 V170 G172 N173	L123-R125 PolarHBondContact O-N 3.12Å; R125-L127 VanDerWaalsContact C-N 3.3Å; R125-T128 VanDerWaalsContact O-O 3.1Å; R125-T129 PolarHBondContact NH2-O 2.63Å; R125-G130 VanDerWaalsContact NH2-CA 3.33Å; R125-V170 PolarHBondContact NH1-O 2.83Å; R125-G172 VanDerWaalsContact CD-O 3.3Å; R125-G172 WeakPolarHBondContact CD-O 3.2Å; R125-N173 WeakPolarHBondContact CG-OD1 3.23Å
126	S	89.4	Confident	95.3	Very high	58 Å²	58	56.9 Å²	56.9	41%	0.406	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.4	170.3	73.4	0	0	0	0	112.8	D124 H193	D124-S126 PolarHBondContact O-N 3.2Å; D124-S126 VanDerWaalsContact OD1-CB 3.27Å; D124-S126 WeakPolarHBondContact OD1-CB 3.32Å; D124-S126 PolarHBondContact OD1-N 2.88Å; D124-S126 PolarHBondContact OD1-OG 3.5Å; D124-S126 PolarHBondContact OD2-OG 3.19Å; S126-H193 PolarHBondContact O-CD2 3.34Å
127	L	90.7	Very high	95.3	Very high	81 Å²	81	50.6 Å²	50.6	42%	0.424	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-9.2	-176.8	-58.3	-178.4	0	0	0	113.6	D124 R125 L189 N190	D124-L127 HydrophobicContact CB-CB 4.43Å; D124-L127 HydrophobicContact CB-CD1 4.05Å; D124-L127 HydrophobicContact CB-CG 4.08Å; D124-L127 PolarHBondContact O-N 2.99Å; R125-L127 VanDerWaalsContact C-N 3.3Å; L127-L189 WeakPolarHBondContact O-CA 3.28Å; L127-N190 PolarHBondContact O-N 3.22Å
128	T	92.4	Very high	95.1	Very high	10 Å²	10	53.3 Å²	53.3	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.5	-175.9	69	0	0	0	0	110.7	D124 R125 G130 E188 L189	D124-T128 PolarHBondContact O-N 3.22Å; R125-T128 VanDerWaalsContact O-O 3.1Å; T128-G130 PolarHBondContact O-N 2.89Å; T128-E188 WeakPolarHBondContact CA-O 3.36Å; T128-E188 WeakPolarHBondContact CB-O 3.45Å; T128-L189 HydrophobicContact CG2-CD2 4.2Å
129	T	93.6	Very high	95	Very high	52 Å²	52	53.7 Å²	53.7	32%	0.319	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-17.8	169.9	70.5	0	0	0	0	111.2	R125 K131 E188 N190	R125-T129 PolarHBondContact NH2-O 2.63Å; T129-K131 PolarHBondContact OG1-N 3.13Å; T129-K131 VanDerWaalsContact OG1-N 3.16Å; T129-E188 VanDerWaalsContact CB-OE2 3.28Å; T129-E188 WeakPolarHBondContact CB-OE2 3.18Å; T129-E188 HydrophobicContact CG2-CG 3.87Å; T129-E188 WeakPolarHBondContact CG2-OE2 3.46Å; T129-E188 PolarHBondContact N-O 3.02Å; T129-E188 WeakPolarHBondContact OG1-CB 3.49Å; T129-E188 WeakPolarHBondContact OG1-CG 3.29Å; T129-E188 PolarHBondContact OG1-O 2.87Å; T129-E188 PolarHBondContact OG1-OE2 2.86Å; T129-N190 HydrophobicContact CG2-CB 4.39Å
130	G	93.9	Very high	95	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	91	-10.8	-172.2	0	0	0	0	0	114.7	R125 T128 E169 V170	R125-G130 VanDerWaalsContact NH2-CA 3.33Å; T128-G130 PolarHBondContact O-N 2.89Å; G130-E169 CarbonylContact O-C 3.5Å; G130-E169 VanDerWaalsContact O-CA 3.29Å; G130-E169 WeakPolarHBondContact O-CA 3.41Å; G130-V170 PolarHBondContact O-N 3.29Å
131	K	97	Very high	95	Very high	84 Å²	84	46.7 Å²	46.7	37%	0.365	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	137.1	175.4	-58.8	-57.1	-174.5	-176.5	0	109.8	T129 N168 E169 E188	T129-K131 PolarHBondContact OG1-N 3.13Å; T129-K131 VanDerWaalsContact OG1-N 3.16Å; K131-N168 WeakPolarHBondContact CA-O 3.42Å; K131-E169 HydrophobicContact CD-CB 4.35Å; K131-E169 HydrophobicContact CD-CG 4.46Å; K131-E169 IonicContact NZ-OE2 2.69Å; K131-E169 PolarHBondContact NZ-OE2 3.4Å; K131-E188 HydrophobicContact CB-CB 3.86Å; K131-E188 WeakPolarHBondContact CB-OE2 3.28Å; K131-E188 WeakPolarHBondContact CG-OE2 3.33Å; K131-E188 PolarHBondContact O-N 2.91Å
132	C	98.1	Very high	95.1	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	166.5	-177.3	65.8	0	0	0	0	111.7	N168 V170 F185 T186 L187	C132-N168 PolarHBondContact N-O 2.91Å; C132-N168 PolarHBondContact O-N 3.39Å; C132-V170 HydrophobicContact CB-CG2 4.37Å; C132-F185 HydrophobicContact CB-CE1 4.36Å; C132-F185 HydrophobicContact CB-CZ 4.02Å; C132-T186 CarbonylContact C-O 3.56Å; C132-T186 WeakPolarHBondContact CA-O 3.36Å; C132-T186 WeakPolarHBondContact CB-O 3.33Å; C132-L187 HydrophobicContact CB-CD2 3.94Å
133	G	98.3	Very high	95.2	Very high	3 Å²	3	52 Å²	52	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.2	175.8	0	0	0	0	0	112.4	S165 F185 T186	G133-S165 VanDerWaalsContact CA-O 3.23Å; G133-S165 WeakPolarHBondContact CA-O 3.39Å; G133-F185 WeakPolarHBondContact O-CA 3.28Å; G133-T186 WeakPolarHBondContact CA-OG1 3.45Å; G133-T186 PolarHBondContact N-O 3.16Å; G133-T186 PolarHBondContact N-OG1 3.48Å; G133-T186 VanDerWaalsContact N-OG1 3.11Å; G133-T186 PolarHBondContact O-N 2.86Å
134	L	98.7	Very high	95.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.7	170.5	-54.2	91.1	0	0	0	108.9	V144 T146 L149 L153 L158 S165 V177 L183 F185	L134-V144 HydrophobicContact CD2-CG1 4.3Å; L134-T146 HydrophobicContact CD2-CG2 3.95Å; L134-L149 HydrophobicContact CD1-CD1 3.73Å; L134-L153 HydrophobicContact CD2-CD1 4.49Å; L134-L158 HydrophobicContact CB-CD1 3.92Å; L134-S165 PolarHBondContact N-O 3.41Å; L134-S165 PolarHBondContact O-N 2.92Å; L134-V177 HydrophobicContact CD2-CG1 4.2Å; L134-V177 HydrophobicContact CD2-CG2 4.33Å; L134-L183 HydrophobicContact CB-CD1 4.18Å; L134-L183 HydrophobicContact CB-CD2 4Å; L134-L183 HydrophobicContact CB-CG 4.28Å; L134-L183 HydrophobicContact CD2-CD2 3.72Å; L134-L183 HydrophobicContact CG-CD2 4.37Å; L134-F185 HydrophobicContact CD1-CE2 4.41Å; L134-F185 HydrophobicContact CD2-CD2 4.21Å; L134-F185 HydrophobicContact CD2-CE2 4.27Å; L134-F185 HydrophobicContact CG-CD2 3.94Å; L134-F185 HydrophobicContact CG-CE2 4.04Å
135	I	98.5	Very high	95.9	Very high	41 Å²	41	50.7 Å²	50.7	21%	0.21	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.5	-166.2	-48.8	178	0	0	0	111.1	V137 F160 V164 L184 T186	I135-V137 HydrophobicContact CB-CG2 4.33Å; I135-V137 HydrophobicContact CG2-CG2 3.73Å; I135-V137 PolarHBondContact O-N 2.86Å; I135-F160 HydrophobicContact CG2-CE1 4.39Å; I135-F160 HydrophobicContact CG2-CE2 4.31Å; I135-F160 HydrophobicContact CG2-CZ 3.66Å; I135-V164 HydrophobicContact CB-CG1 4.46Å; I135-V164 HydrophobicContact CG1-CG1 4.18Å; I135-V164 HydrophobicContact CG2-CG1 4.32Å; I135-L184 HydrophobicContact CB-CB 4.25Å; I135-L184 HydrophobicContact CB-CD2 4.44Å; I135-L184 HydrophobicContact CD1-CD2 4.42Å; I135-L184 PolarHBondContact N-O 2.9Å; I135-L184 WeakPolarHBondContact O-CB 3.35Å; I135-L184 PolarHBondContact O-N 2.93Å; I135-T186 HydrophobicContact CD1-CG2 3.74Å; I135-T186 HydrophobicContact CG1-CG2 4.4Å
136	P	98.3	Very high	96.4	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.258	C	S	.	.			trans	-83.1	74.8	179.7	35.6	-36.9	0	0	0	111	G138 V141 L158 F160 V164	P136-G138 PolarHBondContact O-N 2.95Å; P136-V141 HydrophobicContact CB-CB 4.42Å; P136-V141 HydrophobicContact CB-CG2 3.83Å; P136-L158 HydrophobicContact CB-CB 3.95Å; P136-L158 VanDerWaalsContact CB-O 3.29Å; P136-L158 WeakPolarHBondContact CB-O 3.37Å; P136-L158 HydrophobicContact CG-CB 3.84Å; P136-F160 WeakPolarHBondContact O-CE2 3.48Å; P136-V164 HydrophobicContact CG-CG2 4.25Å
137	V	97.1	Very high	96.8	Very high	17 Å²	17	47.9 Å²	47.9	10%	0.103	26%	0.258	C	S	.	.			trans	-72.7	129.4	-176.3	-176	0	0	0	0	111.6	V87 F91 I135 R139 L184	V87-V137 HydrophobicContact CG1-CB 4.43Å; V87-V137 HydrophobicContact CG1-CG1 3.85Å; V87-V137 HydrophobicContact CG1-CG2 4.45Å; F91-V137 HydrophobicContact CE2-CB 3.96Å; F91-V137 HydrophobicContact CE2-CG1 4.05Å; F91-V137 HydrophobicContact CZ-CB 4.06Å; I135-V137 HydrophobicContact CB-CG2 4.33Å; I135-V137 HydrophobicContact CG2-CG2 3.73Å; I135-V137 PolarHBondContact O-N 2.86Å; V137-R139 PolarHBondContact O-N 2.88Å; V137-R139 VanDerWaalsContact O-N 3.08Å; V137-L184 HydrophobicContact CG2-CB 4.04Å; V137-L184 HydrophobicContact CG2-CD2 3.77Å
138	G	93.8	Very high	97.2	Very high	82 Å²	82	45.2 Å²	45.2	85%	0.845	25%	0.25	S	C	*	.	S	Bend	trans	81.3	-31.2	172.5	0	0	0	0	0	115.4	P136	P136-G138 PolarHBondContact O-N 2.95Å
139	R	95.6	Very high	97.5	Very high	161 Å²	161	45 Å²	45	61%	0.608	25%	0.248	S	C	*	.	S	Bend	trans	-150.7	153.3	176.4	66.7	-173.5	77	171.2	6.3	111.8	V137	V137-R139 PolarHBondContact O-N 2.88Å; V137-R139 VanDerWaalsContact O-N 3.08Å
140	P	98.1	Very high	97.7	Very high	68 Å²	68	50.5 Å²	50.5	44%	0.442	26%	0.263	S	S	.	.			trans	-56.7	142	169.4	-25.5	35.7	0	0	0	112.2	L158 A159	P140-L158 CarbonylContact C-O 3.49Å; P140-L158 WeakPolarHBondContact CA-O 3.16Å; P140-A159 HydrophobicContact CB-CB 3.94Å; P140-A159 HydrophobicContact CG-CB 4.05Å
141	V	98.5	Very high	97.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.9	168.3	179.2	0	0	0	0	107.3	P136 Q143 V144 Q157 L158 T179 D181 L183	P136-V141 HydrophobicContact CB-CB 4.42Å; P136-V141 HydrophobicContact CB-CG2 3.83Å; V141-Q143 PolarHBondContact O-N 3.17Å; V141-V144 HydrophobicContact CB-CG2 4.26Å; V141-V144 HydrophobicContact CG1-CG2 3.42Å; V141-V144 VanDerWaalsContact CG1-CG2 3.42Å; V141-Q157 CarbonylContact O-C 3.42Å; V141-Q157 WeakPolarHBondContact O-CA 3.37Å; V141-Q157 WeakPolarHBondContact O-CG 3.42Å; V141-L158 HydrophobicContact CB-CB 4.37Å; V141-L158 PolarHBondContact N-O 2.88Å; V141-L158 PolarHBondContact O-N 3.48Å; V141-T179 WeakPolarHBondContact CG1-OG1 3.09Å; V141-D181 HydrophobicContact CB-CB 4.39Å; V141-D181 HydrophobicContact CG1-CB 4.14Å; V141-D181 HydrophobicContact CG2-CB 4.16Å; V141-L183 HydrophobicContact CG2-CD1 4Å
142	K	98.2	Very high	98	Very high	138 Å²	138	56.9 Å²	56.9	60%	0.6	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	-40.2	-165.9	-62.9	173.1	-175.2	167.1	0	113.3	Q157 S180 D181	K142-Q157 WeakPolarHBondContact O-CA 3.41Å; K142-Q157 WeakPolarHBondContact O-CB 3.46Å; K142-S180 PolarHBondContact N-OG 2.87Å; K142-S180 VanDerWaalsContact N-OG 3.13Å; K142-D181 PolarHBondContact N-OD2 3.06Å; K142-D181 VanDerWaalsContact N-OD2 3.12Å
143	Q	98.3	Very high	98	Very high	107 Å²	107	57.2 Å²	57.2	50%	0.5	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	125.8	-176.8	-66.3	-177.8	-34.4	0	0	110.5	V141 F145 H156 S180	V141-Q143 PolarHBondContact O-N 3.17Å; Q143-F145 HydrophobicContact CB-CE2 4.2Å; Q143-H156 CarbonylContact C-O 3.55Å; Q143-H156 WeakPolarHBondContact CA-O 3.34Å; Q143-S180 PolarHBondContact N-OG 2.73Å; Q143-S180 PolarHBondContact O-N 3.25Å; Q143-S180 PolarHBondContact O-OG 2.85Å
144	V	98.7	Very high	98	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.6	171.7	-170.4	0	0	0	0	109.6	L134 V141 T146 L153 G155 H156 L158 V177 N178 L183	L134-V144 HydrophobicContact CD2-CG1 4.3Å; V141-V144 HydrophobicContact CB-CG2 4.26Å; V141-V144 HydrophobicContact CG1-CG2 3.42Å; V141-V144 VanDerWaalsContact CG1-CG2 3.42Å; V144-T146 HydrophobicContact CG1-CG2 3.98Å; V144-L153 HydrophobicContact CB-CD1 3.87Å; V144-L153 HydrophobicContact CG1-CD1 3.75Å; V144-L153 WeakPolarHBondContact O-CB 3.36Å; V144-G155 WeakPolarHBondContact O-CA 3.3Å; V144-G155 PolarHBondContact O-N 3.18Å; V144-H156 PolarHBondContact N-O 3.33Å; V144-H156 PolarHBondContact O-N 3.31Å; V144-L158 HydrophobicContact CB-CD1 4.48Å; V144-L158 HydrophobicContact CG2-CD1 3.85Å; V144-L158 HydrophobicContact CG2-CG 4Å; V144-V177 HydrophobicContact CG1-CG1 4.05Å; V144-N178 WeakPolarHBondContact CA-O 3.15Å; V144-L183 HydrophobicContact CG1-CD2 4.11Å; V144-L183 HydrophobicContact CG2-CD2 4.24Å
145	F	98.8	Very high	98	Very high	83 Å²	83	64.5 Å²	64.5	36%	0.364	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.1	169.8	-59.5	-96.6	0	0	0	108.8	Q143 L153 G155 V177 N178	Q143-F145 HydrophobicContact CB-CE2 4.2Å; F145-L153 CarbonylContact C-O 3.51Å; F145-L153 VanDerWaalsContact CA-O 3.24Å; F145-L153 WeakPolarHBondContact CA-O 3.45Å; F145-G155 VanDerWaalsContact CD1-N 3.32Å; F145-G155 VanDerWaalsContact CE1-N 3.3Å; F145-G155 VanDerWaalsContact CZ-CA 3.45Å; F145-V177 CarbonylContact O-C 3.46Å; F145-V177 WeakPolarHBondContact O-CA 3.3Å; F145-N178 HydrophobicContact CB-CB 4.28Å; F145-N178 PolarHBondContact N-O 3.02Å; F145-N178 PolarHBondContact O-N 3.37Å
146	T	98.8	Very high	98	Very high	16 Å²	16	66.5 Å²	66.5	10%	0.098	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155.7	174.9	70.4	0	0	0	0	111.7	L134 V144 L149 D152 L153 T176 V177	L134-T146 HydrophobicContact CD2-CG2 3.95Å; V144-T146 HydrophobicContact CG1-CG2 3.98Å; T146-L149 HydrophobicContact CG2-CD1 3.9Å; T146-D152 WeakPolarHBondContact CB-OD1 3.45Å; T146-D152 WeakPolarHBondContact OG1-CA 3.37Å; T146-D152 PolarHBondContact OG1-OD1 3.47Å; T146-L153 HydrophobicContact CG2-CB 4.2Å; T146-L153 HydrophobicContact CG2-CD1 4.27Å; T146-L153 HydrophobicContact CG2-CG 4.3Å; T146-L153 PolarHBondContact N-O 2.73Å; T146-L153 PolarHBondContact OG1-N 2.94Å; T146-T176 CarbonylContact C-O 3.56Å; T146-T176 WeakPolarHBondContact CA-O 3.37Å; T146-T176 WeakPolarHBondContact CB-O 3.43Å; T146-V177 HydrophobicContact CG2-CG1 4.31Å; T146-V177 HydrophobicContact CG2-CG2 4.18Å
147	S	98.5	Very high	98	Very high	56 Å²	56	70.2 Å²	70.2	39%	0.392	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.5	162.2	81.8	0	0	0	0	110.4	D152 V175 T176	S147-D152 VanDerWaalsContact C-OD1 3.23Å; S147-D152 VanDerWaalsContact CA-CG 3.48Å; S147-D152 WeakPolarHBondContact CA-OD1 3.24Å; S147-D152 WeakPolarHBondContact CA-OD2 3.39Å; S147-D152 PolarHBondContact N-OD1 3.17Å; S147-V175 CarbonylContact O-C 3.55Å; S147-V175 WeakPolarHBondContact O-CA 3.4Å; S147-T176 WeakPolarHBondContact CB-OG1 3.12Å; S147-T176 PolarHBondContact N-O 3.45Å; S147-T176 PolarHBondContact N-OG1 3.13Å; S147-T176 PolarHBondContact O-N 2.86Å; S147-T176 PolarHBondContact OG-OG1 3.46Å
148	G	97.9	Very high	98.1	Very high	25 Å²	25	69.4 Å²	69.4	26%	0.258	36%	0.356	S	S	.	.	S	Bend	trans	93.1	2.1	177.9	0	0	0	0	0	114.2	D152 V171	G148-D152 PolarHBondContact N-OD1 3.35Å; G148-D152 PolarHBondContact N-OD2 3.08Å; G148-V171 PolarHBondContact O-N 3.24Å
149	L	98.3	Very high	98.3	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.031	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-91.7	156.3	169.3	-57.4	-177.1	0	0	0	111.2	L134 T146 W151 D152 E169 V170 V175	L134-L149 HydrophobicContact CD1-CD1 3.73Å; T146-L149 HydrophobicContact CG2-CD1 3.9Å; L149-W151 PolarHBondContact O-N 2.85Å; L149-D152 VanDerWaalsContact CB-OD1 3.3Å; L149-D152 WeakPolarHBondContact CB-OD1 3.41Å; L149-D152 PolarHBondContact N-OD1 3.12Å; L149-E169 CarbonylContact C-O 3.43Å; L149-E169 VanDerWaalsContact CA-O 3.31Å; L149-E169 WeakPolarHBondContact CA-O 3.03Å; L149-V170 HydrophobicContact CD2-CG2 3.91Å; L149-V175 HydrophobicContact CD1-CG1 4.39Å; L149-V175 HydrophobicContact CD2-CB 4.33Å; L149-V175 HydrophobicContact CD2-CG1 3.71Å; L149-V175 HydrophobicContact CD2-CG2 3.59Å; L149-V175 HydrophobicContact CG-CG1 3.87Å; L149-V175 HydrophobicContact CG-CG2 4.49Å
150	R	98.2	Very high	98.4	Very high	166 Å²	166	64.2 Å²	64.2	63%	0.626	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-35.6	176.8	179	64.1	-174.5	-167.8	4.1	110.6	E169 V171	R150-E169 HydrophobicContact CB-CB 3.91Å; R150-E169 WeakPolarHBondContact CB-O 3.35Å; R150-E169 PolarHBondContact N-O 3.36Å; R150-V171 HydrophobicContact CB-CG2 4.05Å
151	W	98.4	Very high	98.3	Very high	148 Å²	148	65.1 Å²	65.1	56%	0.561	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	80	172.4	-58.1	-84.4	0	0	0	108.3	L149 S167 N168 E169	L149-W151 PolarHBondContact O-N 2.85Å; W151-S167 VanDerWaalsContact CZ3-O 3.28Å; W151-S167 WeakPolarHBondContact CZ3-O 3.45Å; W151-N168 HydrophobicContact CE3-CB 4.4Å; W151-N168 PolarHBondContact N-OD1 3.36Å; W151-N168 PolarHBondContact O-ND2 3.36Å; W151-E169 HydrophobicContact CZ3-CB 4.22Å
152	D	98.6	Very high	98.3	Very high	71 Å²	71	71.2 Å²	71.2	38%	0.38	37%	0.367	S	S	.	.			trans	-65.2	138.3	177.4	-85.7	-40.1	0	0	0	111.7	T146 S147 G148 L149	T146-D152 WeakPolarHBondContact CB-OD1 3.45Å; T146-D152 WeakPolarHBondContact OG1-CA 3.37Å; T146-D152 PolarHBondContact OG1-OD1 3.47Å; S147-D152 VanDerWaalsContact C-OD1 3.23Å; S147-D152 VanDerWaalsContact CA-CG 3.48Å; S147-D152 WeakPolarHBondContact CA-OD1 3.24Å; S147-D152 WeakPolarHBondContact CA-OD2 3.39Å; S147-D152 PolarHBondContact N-OD1 3.17Å; G148-D152 PolarHBondContact N-OD1 3.35Å; G148-D152 PolarHBondContact N-OD2 3.08Å; L149-D152 VanDerWaalsContact CB-OD1 3.3Å; L149-D152 WeakPolarHBondContact CB-OD1 3.41Å; L149-D152 PolarHBondContact N-OD1 3.12Å
153	L	98.6	Very high	98.3	Very high	13 Å²	13	68 Å²	68	7%	0.068	36%	0.356	C	S	.	.			trans	-89.1	135.1	176.6	-55.8	177.1	0	0	0	109.2	L134 V144 F145 T146 H156 L158 L163	L134-L153 HydrophobicContact CD2-CD1 4.49Å; V144-L153 HydrophobicContact CB-CD1 3.87Å; V144-L153 HydrophobicContact CG1-CD1 3.75Å; V144-L153 WeakPolarHBondContact O-CB 3.36Å; F145-L153 CarbonylContact C-O 3.51Å; F145-L153 VanDerWaalsContact CA-O 3.24Å; F145-L153 WeakPolarHBondContact CA-O 3.45Å; T146-L153 HydrophobicContact CG2-CB 4.2Å; T146-L153 HydrophobicContact CG2-CD1 4.27Å; T146-L153 HydrophobicContact CG2-CG 4.3Å; T146-L153 PolarHBondContact N-O 2.73Å; T146-L153 PolarHBondContact OG1-N 2.94Å; L153-H156 HydrophobicContact CB-CB 4.41Å; L153-H156 HydrophobicContact CD2-CB 4.19Å; L153-L158 HydrophobicContact CD1-CD1 4.1Å; L153-L158 HydrophobicContact CD1-CD2 4.1Å; L153-L158 HydrophobicContact CD1-CG 4.42Å; L153-L163 HydrophobicContact CD2-CD2 4.35Å
154	N	98.4	Very high	98.3	Very high	129 Å²	129	64.6 Å²	64.6	69%	0.69	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	71.2	176.5	-171.3	28.3	0	0	0	111.2	H156	N154-H156 PolarHBondContact N-ND1 2.94Å; N154-H156 VanDerWaalsContact N-ND1 3.12Å
155	G	98.1	Very high	98.3	Very high	26 Å²	26	65.1 Å²	65.1	27%	0.268	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.1	27.2	-179.9	0	0	0	0	0	114.1	V144 F145	V144-G155 WeakPolarHBondContact O-CA 3.3Å; V144-G155 PolarHBondContact O-N 3.18Å; F145-G155 VanDerWaalsContact CD1-N 3.32Å; F145-G155 VanDerWaalsContact CE1-N 3.3Å; F145-G155 VanDerWaalsContact CZ-CA 3.45Å
156	H	98.4	Very high	98.2	Very high	83 Å²	83	65 Å²	65	38%	0.384	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	144.4	179.8	-68.7	69.3	0	0	0	111	Q143 V144 L153 N154 L163	Q143-H156 CarbonylContact C-O 3.55Å; Q143-H156 WeakPolarHBondContact CA-O 3.34Å; V144-H156 PolarHBondContact N-O 3.33Å; V144-H156 PolarHBondContact O-N 3.31Å; L153-H156 HydrophobicContact CB-CB 4.41Å; L153-H156 HydrophobicContact CD2-CB 4.19Å; N154-H156 PolarHBondContact N-ND1 2.94Å; N154-H156 VanDerWaalsContact N-ND1 3.12Å; H156-L163 HydrophobicContact CB-CD2 4.15Å
157	Q	98.5	Very high	98.1	Very high	79 Å²	79	68.9 Å²	68.9	37%	0.369	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.1	162.5	180	171.5	-78.2	0	0	109.3	V141 K142 E162	V141-Q157 CarbonylContact O-C 3.42Å; V141-Q157 WeakPolarHBondContact O-CA 3.37Å; V141-Q157 WeakPolarHBondContact O-CG 3.42Å; K142-Q157 WeakPolarHBondContact O-CA 3.41Å; K142-Q157 WeakPolarHBondContact O-CB 3.46Å; Q157-E162 PolarHBondContact NE2-OE1 3.06Å; Q157-E162 PolarHBondContact NE2-OE2 3.13Å
158	L	98.7	Very high	98.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.1	168.7	-57.1	-176.9	0	0	0	109.6	L134 P136 P140 V141 V144 L153 L163 L183	L134-L158 HydrophobicContact CB-CD1 3.92Å; P136-L158 HydrophobicContact CB-CB 3.95Å; P136-L158 VanDerWaalsContact CB-O 3.29Å; P136-L158 WeakPolarHBondContact CB-O 3.37Å; P136-L158 HydrophobicContact CG-CB 3.84Å; P140-L158 CarbonylContact C-O 3.49Å; P140-L158 WeakPolarHBondContact CA-O 3.16Å; V141-L158 HydrophobicContact CB-CB 4.37Å; V141-L158 PolarHBondContact N-O 2.88Å; V141-L158 PolarHBondContact O-N 3.48Å; V144-L158 HydrophobicContact CB-CD1 4.48Å; V144-L158 HydrophobicContact CG2-CD1 3.85Å; V144-L158 HydrophobicContact CG2-CG 4Å; L153-L158 HydrophobicContact CD1-CD1 4.1Å; L153-L158 HydrophobicContact CD1-CD2 4.1Å; L153-L158 HydrophobicContact CD1-CG 4.42Å; L158-L163 CarbonylContact C-O 3.57Å; L158-L163 WeakPolarHBondContact CA-O 3.24Å; L158-L163 HydrophobicContact CD2-CB 4.22Å; L158-L163 HydrophobicContact CD2-CD2 3.81Å; L158-L163 HydrophobicContact CD2-CG 3.72Å; L158-L183 HydrophobicContact CD1-CD1 3.8Å
159	A	98.5	Very high	98	Very high	4 Å²	4	68 Å²	68	3%	0.033	37%	0.366	C	S	.	.			trans	-152.8	149.7	174.6	0	0	0	0	0	111.6	P140 E162 L163	P140-A159 HydrophobicContact CB-CB 3.94Å; P140-A159 HydrophobicContact CG-CB 4.05Å; A159-E162 HydrophobicContact CB-CB 4.16Å; A159-E162 HydrophobicContact CB-CG 4.25Å; A159-E162 CarbonylContact O-C 3.56Å; A159-E162 PolarHBondContact O-N 3.48Å; A159-L163 PolarHBondContact N-O 2.83Å
160	F	97.8	Very high	98	Very high	130 Å²	130	67.7 Å²	67.7	57%	0.57	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	135.1	167	-74.9	-70.7	0	0	0	110.4	I135 P136 E162 V164	I135-F160 HydrophobicContact CG2-CE1 4.39Å; I135-F160 HydrophobicContact CG2-CE2 4.31Å; I135-F160 HydrophobicContact CG2-CZ 3.66Å; P136-F160 WeakPolarHBondContact O-CE2 3.48Å; F160-E162 VanDerWaalsContact C-N 3.26Å; F160-V164 HydrophobicContact CD1-CG2 4.04Å; F160-V164 HydrophobicContact CE1-CG2 4.22Å
161	G	97.1	Very high	97.8	Very high	88 Å²	88	64.3 Å²	64.3	91%	0.907	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	-7.5	-169.9	0	0	0	0	0	113.9
162	E	96.8	Very high	97.6	Very high	128 Å²	128	58.8 Å²	58.8	60%	0.598	35%	0.351	S	S	*	.	S	Bend	trans	-125.6	-124.1	175	-58.7	177.9	-155.9	0	0	109.7	Q157 A159 F160	Q157-E162 PolarHBondContact NE2-OE1 3.06Å; Q157-E162 PolarHBondContact NE2-OE2 3.13Å; A159-E162 HydrophobicContact CB-CB 4.16Å; A159-E162 HydrophobicContact CB-CG 4.25Å; A159-E162 CarbonylContact O-C 3.56Å; A159-E162 PolarHBondContact O-N 3.48Å; F160-E162 VanDerWaalsContact C-N 3.26Å
163	L	98.2	Very high	97.4	Very high	71 Å²	71	60.3 Å²	60.3	37%	0.372	36%	0.359	S	S	.	.			trans	-91.9	123.6	176.8	-177.1	62.7	0	0	0	110.9	L153 H156 L158 A159	L153-L163 HydrophobicContact CD2-CD2 4.35Å; H156-L163 HydrophobicContact CB-CD2 4.15Å; L158-L163 CarbonylContact C-O 3.57Å; L158-L163 WeakPolarHBondContact CA-O 3.24Å; L158-L163 HydrophobicContact CD2-CB 4.22Å; L158-L163 HydrophobicContact CD2-CD2 3.81Å; L158-L163 HydrophobicContact CD2-CG 3.72Å; A159-L163 PolarHBondContact N-O 2.83Å
164	V	98.5	Very high	97.3	Very high	35 Å²	35	63 Å²	63	21%	0.212	37%	0.371	C	S	.	.			trans	-115.8	128.9	158.4	177.1	0	0	0	0	105.7	I135 P136 F160 S166	I135-V164 HydrophobicContact CB-CG1 4.46Å; I135-V164 HydrophobicContact CG1-CG1 4.18Å; I135-V164 HydrophobicContact CG2-CG1 4.32Å; P136-V164 HydrophobicContact CG-CG2 4.25Å; F160-V164 HydrophobicContact CD1-CG2 4.04Å; F160-V164 HydrophobicContact CE1-CG2 4.22Å; V164-S166 PolarHBondContact O-N 3.43Å
165	S	98.4	Very high	97.3	Very high	11 Å²	11	56.9 Å²	56.9	8%	0.077	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	64.7	-179.7	-165.5	0	0	0	0	109.7	G133 L134 N168	G133-S165 VanDerWaalsContact CA-O 3.23Å; G133-S165 WeakPolarHBondContact CA-O 3.39Å; L134-S165 PolarHBondContact N-O 3.41Å; L134-S165 PolarHBondContact O-N 2.92Å; S165-N168 PolarHBondContact OG-ND2 3.38Å
166	S	97	Very high	97.3	Very high	81 Å²	81	57 Å²	57	57%	0.566	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	152.1	174.2	55.6	0	0	0	0	110.6	V164 N168	V164-S166 PolarHBondContact O-N 3.43Å; S166-N168 PolarHBondContact O-N 2.71Å
167	S	96.6	Very high	97.3	Very high	96 Å²	96	53.1 Å²	53.1	67%	0.671	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	58.7	28.6	179.2	-54.5	0	0	0	0	114.3	W151	W151-S167 VanDerWaalsContact CZ3-O 3.28Å; W151-S167 WeakPolarHBondContact CZ3-O 3.45Å
168	N	98.1	Very high	97.3	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.011	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	172.1	171.5	-152.1	-28	0	0	0	109.5	K131 C132 W151 S165 S166	K131-N168 WeakPolarHBondContact CA-O 3.42Å; C132-N168 PolarHBondContact N-O 2.91Å; C132-N168 PolarHBondContact O-N 3.39Å; W151-N168 HydrophobicContact CE3-CB 4.4Å; W151-N168 PolarHBondContact N-OD1 3.36Å; W151-N168 PolarHBondContact O-ND2 3.36Å; S165-N168 PolarHBondContact OG-ND2 3.38Å; S166-N168 PolarHBondContact O-N 2.71Å
169	E	97.7	Very high	97.3	Very high	60 Å²	60	52.9 Å²	52.9	28%	0.28	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	135.1	-175.5	-179.2	174.8	161.3	0	0	110.7	G130 K131 L149 R150 W151	G130-E169 CarbonylContact O-C 3.5Å; G130-E169 VanDerWaalsContact O-CA 3.29Å; G130-E169 WeakPolarHBondContact O-CA 3.41Å; K131-E169 HydrophobicContact CD-CB 4.35Å; K131-E169 HydrophobicContact CD-CG 4.46Å; K131-E169 IonicContact NZ-OE2 2.69Å; K131-E169 PolarHBondContact NZ-OE2 3.4Å; L149-E169 CarbonylContact C-O 3.43Å; L149-E169 VanDerWaalsContact CA-O 3.31Å; L149-E169 WeakPolarHBondContact CA-O 3.03Å; R150-E169 HydrophobicContact CB-CB 3.91Å; R150-E169 WeakPolarHBondContact CB-O 3.35Å; R150-E169 PolarHBondContact N-O 3.36Å; W151-E169 HydrophobicContact CZ3-CB 4.22Å
170	V	96.9	Very high	97.3	Very high	1 Å²	1	54 Å²	54	1%	0.006	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-78.7	130.9	172.6	-175.3	0	0	0	0	109.3	L123 R125 G130 C132 L149 G172 V175	L123-V170 HydrophobicContact CD1-CB 4.13Å; L123-V170 HydrophobicContact CD1-CG1 3.89Å; L123-V170 HydrophobicContact CD1-CG2 3.69Å; R125-V170 PolarHBondContact NH1-O 2.83Å; G130-V170 PolarHBondContact O-N 3.29Å; C132-V170 HydrophobicContact CB-CG2 4.37Å; L149-V170 HydrophobicContact CD2-CG2 3.91Å; V170-G172 WeakPolarHBondContact CG1-O 3.47Å; V170-V175 HydrophobicContact CB-CG2 4.06Å; V170-V175 HydrophobicContact CG1-CG2 3.49Å; V170-V175 VanDerWaalsContact CG1-CG2 3.49Å; V170-V175 HydrophobicContact CG2-CG2 3.52Å
171	V	94.8	Very high	97.3	Very high	94 Å²	94	49.4 Å²	49.4	57%	0.57	31%	0.307	S	S	*	.			trans	-87.3	-32.8	-176.9	178	0	0	0	0	112.5	G148 R150	G148-V171 PolarHBondContact O-N 3.24Å; R150-V171 HydrophobicContact CB-CG2 4.05Å
172	G	93.7	Very high	97.3	Very high	33 Å²	33	47 Å²	47	34%	0.34	27%	0.274	S	S	.	.	S	Bend	trans	-122.4	-143.8	179.8	0	0	0	0	0	112.7	R125 V170	R125-G172 VanDerWaalsContact CD-O 3.3Å; R125-G172 WeakPolarHBondContact CD-O 3.2Å; V170-G172 WeakPolarHBondContact CG1-O 3.47Å
173	N	95	Very high	97.3	Very high	103 Å²	103	40.9 Å²	40.9	55%	0.551	25%	0.246	S	C	*	.	S	Bend	trans	-105.5	9.1	178.3	-60.9	3.3	0	0	0	112.2	L123 R125	L123-N173 PolarHBondContact N-O 2.94Å; L123-N173 WeakPolarHBondContact O-CB 3.36Å; R125-N173 WeakPolarHBondContact CG-OD1 3.23Å
174	Q	96.3	Very high	97.4	Very high	69 Å²	69	37.8 Å²	37.8	32%	0.322	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139.7	-176.3	178	178	-48.8	0	0	110.6	R120 I121 L122	R120-Q174 HydrophobicContact CG-CG 4.11Å; I121-Q174 VanDerWaalsContact O-CA 3.28Å; I121-Q174 WeakPolarHBondContact O-CA 3.36Å; L122-Q174 HydrophobicContact CD2-CB 4.06Å; L122-Q174 HydrophobicContact CD2-CG 3.97Å
175	V	97.8	Very high	97.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.3	166.8	-178	0	0	0	0	108.4	I121 L123 S147 L149 V170 V177	I121-V175 HydrophobicContact CB-CB 4.39Å; I121-V175 PolarHBondContact N-O 2.8Å; I121-V175 PolarHBondContact O-N 3.5Å; L123-V175 HydrophobicContact CD1-CG2 4.33Å; S147-V175 CarbonylContact O-C 3.55Å; S147-V175 WeakPolarHBondContact O-CA 3.4Å; L149-V175 HydrophobicContact CD1-CG1 4.39Å; L149-V175 HydrophobicContact CD2-CB 4.33Å; L149-V175 HydrophobicContact CD2-CG1 3.71Å; L149-V175 HydrophobicContact CD2-CG2 3.59Å; L149-V175 HydrophobicContact CG-CG1 3.87Å; L149-V175 HydrophobicContact CG-CG2 4.49Å; V170-V175 HydrophobicContact CB-CG2 4.06Å; V170-V175 HydrophobicContact CG1-CG2 3.49Å; V170-V175 VanDerWaalsContact CG1-CG2 3.49Å; V170-V175 HydrophobicContact CG2-CG2 3.52Å; V175-V177 HydrophobicContact CG1-CG2 3.8Å
176	T	98.4	Very high	97.3	Very high	30 Å²	30	37 Å²	37	18%	0.184	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.6	162.2	67.2	0	0	0	0	109.3	H119 T146 S147	H119-T176 CarbonylContact O-C 3.53Å; H119-T176 VanDerWaalsContact O-CA 3.26Å; H119-T176 WeakPolarHBondContact O-CA 3.35Å; T146-T176 CarbonylContact C-O 3.56Å; T146-T176 WeakPolarHBondContact CA-O 3.37Å; T146-T176 WeakPolarHBondContact CB-O 3.43Å; S147-T176 WeakPolarHBondContact CB-OG1 3.12Å; S147-T176 PolarHBondContact N-O 3.45Å; S147-T176 PolarHBondContact N-OG1 3.13Å; S147-T176 PolarHBondContact O-N 2.86Å; S147-T176 PolarHBondContact OG-OG1 3.46Å
177	V	98.7	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	120.3	175.4	-176.6	0	0	0	0	107.9	L114 E118 H119 I121 L134 V144 F145 T146 V175 L183 F185	L114-V177 HydrophobicContact CD1-CB 3.91Å; L114-V177 HydrophobicContact CD1-CG1 3.85Å; L114-V177 HydrophobicContact CD1-CG2 4.03Å; E118-V177 CarbonylContact C-O 3.59Å; H119-V177 PolarHBondContact N-O 3.41Å; H119-V177 PolarHBondContact O-N 2.8Å; I121-V177 HydrophobicContact CD1-CG2 4.29Å; L134-V177 HydrophobicContact CD2-CG1 4.2Å; L134-V177 HydrophobicContact CD2-CG2 4.33Å; V144-V177 HydrophobicContact CG1-CG1 4.05Å; F145-V177 CarbonylContact O-C 3.46Å; F145-V177 WeakPolarHBondContact O-CA 3.3Å; T146-V177 HydrophobicContact CG2-CG1 4.31Å; T146-V177 HydrophobicContact CG2-CG2 4.18Å; V175-V177 HydrophobicContact CG1-CG2 3.8Å; V177-L183 HydrophobicContact CG1-CD2 4.12Å; V177-F185 HydrophobicContact CG2-CE2 4.33Å
178	N	98.7	Very high	97.3	Very high	73 Å²	73	32.7 Å²	32.7	39%	0.39	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.8	168.2	-178.5	1.5	0	0	0	108.2	G117 V144 F145	G117-N178 WeakPolarHBondContact O-CA 3.31Å; G117-N178 PolarHBondContact O-OD1 3.37Å; V144-N178 WeakPolarHBondContact CA-O 3.15Å; F145-N178 HydrophobicContact CB-CB 4.28Å; F145-N178 PolarHBondContact N-O 3.02Å; F145-N178 PolarHBondContact O-N 3.37Å
179	T	98.6	Very high	97.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.9	-171.4	-175.2	0	0	0	0	111.3	L114 P115 Q116 G117 V141 D181 L183	L114-T179 HydrophobicContact CB-CG2 4.47Å; P115-T179 WeakPolarHBondContact O-CG2 3.21Å; Q116-T179 WeakPolarHBondContact CA-O 3.28Å; G117-T179 PolarHBondContact N-O 2.98Å; G117-T179 PolarHBondContact O-N 3.27Å; V141-T179 WeakPolarHBondContact CG1-OG1 3.09Å; T179-D181 VanDerWaalsContact C-N 3.33Å; T179-D181 VanDerWaalsContact CG2-O 3.3Å; T179-D181 WeakPolarHBondContact CG2-O 3.47Å; T179-D181 PolarHBondContact OG1-O 3.01Å; T179-L183 HydrophobicContact CG2-CB 4.41Å
180	S	98.2	Very high	96.8	Very high	29 Å²	29	32.5 Å²	32.5	20%	0.203	19%	0.186	C	C	.	.	S	Bend	trans	-75.3	-22.3	179	61.9	0	0	0	0	114	Q116 K142 Q143	Q116-S180 VanDerWaalsContact CG-O 3.31Å; Q116-S180 WeakPolarHBondContact CG-O 3.45Å; K142-S180 PolarHBondContact N-OG 2.87Å; K142-S180 VanDerWaalsContact N-OG 3.13Å; Q143-S180 PolarHBondContact N-OG 2.73Å; Q143-S180 PolarHBondContact O-N 3.25Å; Q143-S180 PolarHBondContact O-OG 2.85Å
181	D	97.8	Very high	96	Very high	33 Å²	33	35 Å²	35	18%	0.176	20%	0.201	C	C	.	.	S	Bend	trans	-143.4	166	-175.8	-53.9	-97.2	0	0	0	109	V141 K142 T179 L183	V141-D181 HydrophobicContact CB-CB 4.39Å; V141-D181 HydrophobicContact CG1-CB 4.14Å; V141-D181 HydrophobicContact CG2-CB 4.16Å; K142-D181 PolarHBondContact N-OD2 3.06Å; K142-D181 VanDerWaalsContact N-OD2 3.12Å; T179-D181 VanDerWaalsContact C-N 3.33Å; T179-D181 VanDerWaalsContact CG2-O 3.3Å; T179-D181 WeakPolarHBondContact CG2-O 3.47Å; T179-D181 PolarHBondContact OG1-O 3.01Å; D181-L183 PolarHBondContact O-N 3.11Å
182	T	97.3	Very high	95.1	Very high	36 Å²	36	37.7 Å²	37.7	22%	0.221	21%	0.207	C	C	.	.			trans	-59.9	130.8	178.5	-56.1	0	0	0	0	111.6	F91 L113 L114	F91-T182 HydrophobicContact CD1-CG2 4.28Å; F91-T182 HydrophobicContact CE1-CG2 3.69Å; F91-T182 HydrophobicContact CZ-CG2 4.37Å; L113-T182 HydrophobicContact CB-CG2 4.13Å; L113-T182 HydrophobicContact CD1-CG2 4.25Å; L113-T182 HydrophobicContact CD2-CG2 4.07Å; L113-T182 HydrophobicContact CG-CG2 4.38Å; L114-T182 CarbonylContact O-C 3.56Å; L114-T182 VanDerWaalsContact O-CA 3.28Å; L114-T182 WeakPolarHBondContact O-CA 3.29Å
183	L	97.7	Very high	93.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.7	-173.1	-177.4	65.1	0	0	0	110.3	L114 L134 V141 V144 L158 V177 T179 D181 F185	L114-L183 HydrophobicContact CB-CB 4.41Å; L114-L183 PolarHBondContact N-O 3.27Å; L114-L183 PolarHBondContact O-N 2.98Å; L134-L183 HydrophobicContact CB-CD1 4.18Å; L134-L183 HydrophobicContact CB-CD2 4Å; L134-L183 HydrophobicContact CB-CG 4.28Å; L134-L183 HydrophobicContact CD2-CD2 3.72Å; L134-L183 HydrophobicContact CG-CD2 4.37Å; V141-L183 HydrophobicContact CG2-CD1 4Å; V144-L183 HydrophobicContact CG1-CD2 4.11Å; V144-L183 HydrophobicContact CG2-CD2 4.24Å; L158-L183 HydrophobicContact CD1-CD1 3.8Å; V177-L183 HydrophobicContact CG1-CD2 4.12Å; T179-L183 HydrophobicContact CG2-CB 4.41Å; D181-L183 PolarHBondContact O-N 3.11Å; L183-F185 PolarHBondContact O-N 3.02Å
184	L	98.4	Very high	92	Very high	6 Å²	6	40 Å²	40	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.6	173.5	-179.4	70.8	0	0	0	109.2	M90 L111 L113 I135 V137 T186	M90-L184 HydrophobicContact CE-CD1 4.23Å; L111-L184 HydrophobicContact CB-CD1 4.22Å; L111-L184 HydrophobicContact CD2-CD1 4.4Å; L111-L184 HydrophobicContact CD2-CD2 4.17Å; L113-L184 HydrophobicContact CD2-CB 4.08Å; L113-L184 HydrophobicContact CD2-CD1 3.82Å; I135-L184 HydrophobicContact CB-CB 4.25Å; I135-L184 HydrophobicContact CB-CD2 4.44Å; I135-L184 HydrophobicContact CD1-CD2 4.42Å; I135-L184 PolarHBondContact N-O 2.9Å; I135-L184 WeakPolarHBondContact O-CB 3.35Å; I135-L184 PolarHBondContact O-N 2.93Å; V137-L184 HydrophobicContact CG2-CB 4.04Å; V137-L184 HydrophobicContact CG2-CD2 3.77Å; L184-T186 HydrophobicContact CG-CG2 4.41Å
185	F	98.4	Very high	89.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.4	174.5	-164.2	-94.6	0	0	0	110	L111 F112 L114 I121 C132 G133 L134 V177 L183 L187	L111-F185 WeakPolarHBondContact CA-O 3.32Å; F112-F185 HydrophobicContact CD2-CB 4.49Å; F112-F185 AromaticContact CE1-CD1 3.75Å; F112-F185 HydrophobicContact CE1-CD1 3.75Å; F112-F185 HydrophobicContact CE2-CB 4.15Å; F112-F185 HydrophobicContact CE2-CD1 4.23Å; F112-F185 HydrophobicContact CE2-CG 4.46Å; F112-F185 HydrophobicContact CZ-CB 4.16Å; F112-F185 AromaticContact CZ-CD1 3.46Å; F112-F185 HydrophobicContact CZ-CD1 3.46Å; F112-F185 VanDerWaalsContact CZ-CD1 3.46Å; F112-F185 HydrophobicContact CZ-CE1 4.19Å; F112-F185 HydrophobicContact CZ-CG 4.11Å; F112-F185 PolarHBondContact N-O 2.81Å; F112-F185 VanDerWaalsContact N-O 3.13Å; F112-F185 PolarHBondContact O-N 2.71Å; L114-F185 HydrophobicContact CD1-CB 3.9Å; L114-F185 HydrophobicContact CD1-CD2 4.01Å; L114-F185 HydrophobicContact CD1-CG 4.21Å; L114-F185 HydrophobicContact CG-CB 4.04Å; I121-F185 HydrophobicContact CD1-CD1 3.9Å; I121-F185 HydrophobicContact CD1-CD2 4.06Å; I121-F185 HydrophobicContact CD1-CE1 3.75Å; I121-F185 HydrophobicContact CD1-CE2 3.96Å; I121-F185 HydrophobicContact CD1-CG 4.04Å; I121-F185 HydrophobicContact CD1-CZ 3.8Å; C132-F185 HydrophobicContact CB-CE1 4.36Å; C132-F185 HydrophobicContact CB-CZ 4.02Å; G133-F185 WeakPolarHBondContact O-CA 3.28Å; L134-F185 HydrophobicContact CD1-CE2 4.41Å; L134-F185 HydrophobicContact CD2-CD2 4.21Å; L134-F185 HydrophobicContact CD2-CE2 4.27Å; L134-F185 HydrophobicContact CG-CD2 3.94Å; L134-F185 HydrophobicContact CG-CE2 4.04Å; V177-F185 HydrophobicContact CG2-CE2 4.33Å; L183-F185 PolarHBondContact O-N 3.02Å; F185-L187 HydrophobicContact CD1-CD1 4.43Å; F185-L187 HydrophobicContact CD1-CG 4.07Å; F185-L187 HydrophobicContact CE1-CD1 4.04Å; F185-L187 HydrophobicContact CE1-CD2 3.69Å; F185-L187 HydrophobicContact CE1-CG 3.59Å; F185-L187 HydrophobicContact CZ-CD2 4.37Å
186	T	97.9	Very high	87.6	Confident	31 Å²	31	52.3 Å²	52.3	19%	0.19	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.6	178.3	80	0	0	0	0	110.9	L110 L111 C132 G133 I135 L184	L110-T186 CarbonylContact O-C 3.6Å; L110-T186 WeakPolarHBondContact O-CA 3.5Å; L111-T186 HydrophobicContact CD2-CG2 4.49Å; L111-T186 HydrophobicContact CG-CG2 3.96Å; C132-T186 CarbonylContact C-O 3.56Å; C132-T186 WeakPolarHBondContact CA-O 3.36Å; C132-T186 WeakPolarHBondContact CB-O 3.33Å; G133-T186 WeakPolarHBondContact CA-OG1 3.45Å; G133-T186 PolarHBondContact N-O 3.16Å; G133-T186 PolarHBondContact N-OG1 3.48Å; G133-T186 VanDerWaalsContact N-OG1 3.11Å; G133-T186 PolarHBondContact O-N 2.86Å; I135-T186 HydrophobicContact CD1-CG2 3.74Å; I135-T186 HydrophobicContact CG1-CG2 4.4Å; L184-T186 HydrophobicContact CG-CG2 4.41Å
187	L	96.9	Very high	84.7	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.5	174.9	-74.1	165.1	0	0	0	110.1	L110 F112 L123 C132 F185	L110-L187 HydrophobicContact CB-CB 4.4Å; L110-L187 PolarHBondContact N-O 3.42Å; L110-L187 PolarHBondContact O-N 2.54Å; F112-L187 HydrophobicContact CE1-CD1 4.02Å; L123-L187 HydrophobicContact CD1-CD2 4.16Å; L123-L187 HydrophobicContact CD2-CD1 3.46Å; L123-L187 VanDerWaalsContact CD2-CD1 3.46Å; L123-L187 HydrophobicContact CD2-CD2 4.15Å; L123-L187 HydrophobicContact CD2-CG 4.47Å; C132-L187 HydrophobicContact CB-CD2 3.94Å; F185-L187 HydrophobicContact CD1-CD1 4.43Å; F185-L187 HydrophobicContact CD1-CG 4.07Å; F185-L187 HydrophobicContact CE1-CD1 4.04Å; F185-L187 HydrophobicContact CE1-CD2 3.69Å; F185-L187 HydrophobicContact CE1-CG 3.59Å; F185-L187 HydrophobicContact CZ-CD2 4.37Å
188	E	96.2	Very high	82	Confident	79 Å²	79	59.6 Å²	59.6	37%	0.369	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116.5	168.5	-172.2	-178.4	-121.9	0	0	110.2	E108 T128 T129 K131	E108-E188 HydrophobicContact CB-CG 4.19Å; E108-E188 CarbonylContact O-C 3.53Å; E108-E188 VanDerWaalsContact O-CA 3.24Å; E108-E188 WeakPolarHBondContact O-CA 3.27Å; T128-E188 WeakPolarHBondContact CA-O 3.36Å; T128-E188 WeakPolarHBondContact CB-O 3.45Å; T129-E188 VanDerWaalsContact CB-OE2 3.28Å; T129-E188 WeakPolarHBondContact CB-OE2 3.18Å; T129-E188 HydrophobicContact CG2-CG 3.87Å; T129-E188 WeakPolarHBondContact CG2-OE2 3.46Å; T129-E188 PolarHBondContact N-O 3.02Å; T129-E188 WeakPolarHBondContact OG1-CB 3.49Å; T129-E188 WeakPolarHBondContact OG1-CG 3.29Å; T129-E188 PolarHBondContact OG1-O 2.87Å; T129-E188 PolarHBondContact OG1-OE2 2.86Å; K131-E188 HydrophobicContact CB-CB 3.86Å; K131-E188 WeakPolarHBondContact CB-OE2 3.28Å; K131-E188 WeakPolarHBondContact CG-OE2 3.33Å; K131-E188 PolarHBondContact O-N 2.91Å
189	L	94.3	Very high	79.3	Confident	20 Å²	20	62.2 Å²	62.2	11%	0.105	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	143.9	176.3	-58.6	-179.6	0	0	0	110.7	W105 E108 L110 L127 T128 T191 L194	W105-L189 HydrophobicContact CD2-CD1 4.47Å; W105-L189 HydrophobicContact CG-CD1 4.33Å; W105-L189 VanDerWaalsContact NE1-CD1 3.33Å; E108-L189 PolarHBondContact O-N 2.95Å; L110-L189 HydrophobicContact CB-CD1 4.14Å; L110-L189 HydrophobicContact CB-CD2 4.1Å; L110-L189 HydrophobicContact CB-CG 4.08Å; L110-L189 HydrophobicContact CD2-CD2 4.3Å; L127-L189 WeakPolarHBondContact O-CA 3.28Å; T128-L189 HydrophobicContact CG2-CD2 4.2Å; L189-T191 PolarHBondContact O-N 3.12Å; L189-L194 HydrophobicContact CB-CD1 4.49Å; L189-L194 HydrophobicContact CD1-CD1 4.49Å
190	N	91.1	Very high	76.4	Confident	37 Å²	37	69 Å²	69	20%	0.198	38%	0.375	C	S	.	.			trans	-84.9	98.8	171.2	-173.3	-15.2	0	0	0	109.8	L127 T129 E192 H193	L127-N190 PolarHBondContact O-N 3.22Å; T129-N190 HydrophobicContact CG2-CB 4.39Å; N190-E192 VanDerWaalsContact C-N 3.27Å; N190-E192 PolarHBondContact O-N 2.95Å; N190-E192 WeakPolarHBondContact OD1-CB 3.46Å; N190-E192 PolarHBondContact OD1-N 2.84Å; N190-E192 VanDerWaalsContact OD1-N 3.17Å; N190-H193 PolarHBondContact ND2-CD2 3.44Å
191	T	80.9	Confident	73.7	Confident	53 Å²	53	78.8 Å²	78.8	33%	0.325	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-11.2	-176.2	52.5	0	0	0	0	114.1	E108 L189 H193 L194	E108-T191 HydrophobicContact CB-CG2 4.38Å; E108-T191 HydrophobicContact CG-CG2 3.74Å; E108-T191 PolarHBondContact OE1-OG1 3.46Å; L189-T191 PolarHBondContact O-N 3.12Å; T191-H193 VanDerWaalsContact C-N 3.26Å; T191-H193 PolarHBondContact O-N 2.91Å; T191-L194 HydrophobicContact CG2-CD1 4.2Å; T191-L194 PolarHBondContact O-N 3.22Å
192	E	73.9	Confident	70.7	Confident	151 Å²	151	87.1 Å²	87.1	71%	0.706	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.3	176.3	-61.9	-165.5	158.5	0	0	112.8	N190	N190-E192 VanDerWaalsContact C-N 3.27Å; N190-E192 PolarHBondContact O-N 2.95Å; N190-E192 WeakPolarHBondContact OD1-CB 3.46Å; N190-E192 PolarHBondContact OD1-N 2.84Å; N190-E192 VanDerWaalsContact OD1-N 3.17Å
193	H	64.6	Low	67.9	Low	122 Å²	122	93.8 Å²	93.8	57%	0.565	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-17.9	176.1	-66.3	-76.2	0	0	0	113	S126 N190 T191 K195	S126-H193 PolarHBondContact O-CD2 3.34Å; N190-H193 PolarHBondContact ND2-CD2 3.44Å; T191-H193 VanDerWaalsContact C-N 3.26Å; T191-H193 PolarHBondContact O-N 2.91Å; H193-K195 PolarHBondContact O-N 2.98Å
194	L	61	Low	66.4	Low	63 Å²	63	98.5 Å²	98.5	33%	0.33	53%	0.526	S	S	.	.			trans	-82.7	41.6	177	-67.1	167.6	0	0	0	111.9	W105 L189 T191 L196	W105-L194 HydrophobicContact CZ2-CD1 3.9Å; L189-L194 HydrophobicContact CB-CD1 4.49Å; L189-L194 HydrophobicContact CD1-CD1 4.49Å; T191-L194 HydrophobicContact CG2-CD1 4.2Å; T191-L194 PolarHBondContact O-N 3.22Å; L194-L196 PolarHBondContact O-N 2.69Å
195	K	50.7	Low	64.7	Low	181 Å²	181	103.3 Å²	103.3	79%	0.787	55%	0.552	S	S	*	*			trans	-70.6	79.4	170.2	-72	-178	-174.4	176.7	0	109.3	H193 A197	H193-K195 PolarHBondContact O-N 2.98Å; K195-A197 PolarHBondContact O-N 3.21Å
196	L	49.1	Very low	62.9	Low	147 Å²	147	109.1 Å²	109.1	77%	0.77	58%	0.583	S	S	*	*			trans	-67.4	86	160.5	-64.2	173.4	0	0	0	106.7	L194	L194-L196 PolarHBondContact O-N 2.69Å
197	A	37.9	Very low	60.8	Low	78 Å²	78	113.6 Å²	113.6	65%	0.645	61%	0.606	S	S	*	*			trans	-59.3	129.7	173.2	0	0	0	0	0	108	K195 V199	K195-A197 PolarHBondContact O-N 3.21Å; A197-V199 PolarHBondContact O-N 2.69Å; A197-V199 VanDerWaalsContact O-N 3.15Å
198	P	42	Very low	58.6	Low	104 Å²	104	120.3 Å²	120.3	68%	0.675	64%	0.641	S	S	*	*			trans	-58.8	125.3	168.8	23.8	-30.6	0	0	0	107.6	N200	P198-N200 PolarHBondContact O-N 2.76Å
199	V	43	Very low	56.1	Low	129 Å²	129	123.1 Å²	123.1	78%	0.782	66%	0.659	S	S	*	*			trans	-66.7	85.9	172.7	-177.8	0	0	0	0	107.4	A197 R201	A197-V199 PolarHBondContact O-N 2.69Å; A197-V199 VanDerWaalsContact O-N 3.15Å; V199-R201 HydrophobicContact CG1-CG 4.3Å; V199-R201 PolarHBondContact O-N 3.32Å
200	N	37.5	Very low	53.3	Low	143 Å²	143	130.4 Å²	130.4	77%	0.765	70%	0.699	S	S	*	*			trans	-68.5	98	165	-82.6	-26.3	0	0	0	107.2	P198 K202	P198-N200 PolarHBondContact O-N 2.76Å; N200-K202 PolarHBondContact O-N 3.07Å
201	R	41.8	Very low	50.4	Low	234 Å²	234	137.6 Å²	137.6	88%	0.883	74%	0.737	S	S	*	*			trans	-68.1	110.4	165	-80.8	-170.7	175.5	-174.9	-0.1	108.2	V199	V199-R201 HydrophobicContact CG1-CG 4.3Å; V199-R201 PolarHBondContact O-N 3.32Å
202	K	34.2	Very low	47.9	Very low	209 Å²	209	144.7 Å²	144.7	91%	0.909	77%	0.772	S	S	*	*			trans	-75.6	111.4	156.3	-79	-176.8	173.7	-179	0	108.3	N200	N200-K202 PolarHBondContact O-N 3.07Å
203	A	38.8	Very low	45.5	Very low	175 Å²	175	144.1 Å²	144.1	100%	1.446	78%	0.778	S	S	*	*			trans	179.9	0	135	0	0	0	0	0	107.6

Retrieved 203 of 203 residues in 129.9 ms (Link to these results)

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