A0A5K4F8J9_SCHMA Loading...

Molybdopterin synthase sulfur carrier subunit

AlphaFold DB , UniProt , Accession A0A5K4F8J9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 152 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	43.8	Very low	82.8	Confident	195 Å²	195	83.8 Å²	83.8	96%	0.961	43%	0.425	S	S	*	.				0	129.3	0	-84	176.6	-98.8	0	0	106.8	S3	M1-S3 PolarHBondContact O-N 3.27Å
2	N	50.3	Low	84	Confident	172 Å²	172	84 Å²	84	92%	0.92	42%	0.423	S	S	*	.			trans	-71.9	87.6	166.2	-91.2	-0.2	0	0	0	106.1	Q4	N2-Q4 PolarHBondContact O-N 2.94Å
3	S	59.1	Low	85.1	Confident	50 Å²	50	83.4 Å²	83.4	35%	0.35	43%	0.429	S	S	.	.			trans	-61.7	106.6	166.9	-66.6	0	0	0	0	107.1	M1 Y72	M1-S3 PolarHBondContact O-N 3.27Å; S3-Y72 WeakPolarHBondContact OG-CD1 3.45Å; S3-Y72 WeakPolarHBondContact OG-CE1 3.44Å
4	Q	81.2	Confident	86	Confident	125 Å²	125	78.7 Å²	78.7	58%	0.584	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.5	171.1	-176.9	172.4	-36	0	0	107.2	N2 Y72 D80	N2-Q4 PolarHBondContact O-N 2.94Å; Q4-Y72 PolarHBondContact O-OH 3.31Å; Q4-D80 VanDerWaalsContact O-CG 3.28Å
5	Y	93.8	Very high	86.5	Confident	70 Å²	70	80.8 Å²	80.8	28%	0.275	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.3	171.4	72.4	-104.1	0	0	0	108.4	T7 D65 I68 D80 V81	Y5-T7 HydrophobicContact CD2-CG2 3.73Å; Y5-T7 HydrophobicContact CE2-CG2 3.67Å; Y5-D65 VanDerWaalsContact OH-CG 3.29Å; Y5-D65 PolarHBondContact OH-OD1 2.87Å; Y5-I68 HydrophobicContact CD1-CG2 3.67Å; Y5-I68 HydrophobicContact CD2-CD1 3.79Å; Y5-I68 HydrophobicContact CD2-CG2 4.15Å; Y5-I68 HydrophobicContact CE1-CG2 4.31Å; Y5-I68 HydrophobicContact CE2-CD1 4.14Å; Y5-I68 HydrophobicContact CG-CD1 4.32Å; Y5-I68 HydrophobicContact CG-CG2 3.59Å; Y5-D80 WeakPolarHBondContact CA-OD1 3.44Å; Y5-V81 CarbonylContact C-O 3.56Å; Y5-V81 WeakPolarHBondContact CA-O 3.37Å; Y5-V81 WeakPolarHBondContact CB-O 3.12Å
6	L	95.7	Very high	86.8	Confident	63 Å²	63	85.9 Å²	85.9	33%	0.33	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.7	176	-175.6	145	0	0	0	110.5	L22 V81 V82 V83 L84	L6-L22 HydrophobicContact CD1-CD2 4.08Å; L6-L22 HydrophobicContact CD2-CD1 4.41Å; L6-V81 PolarHBondContact N-O 3.4Å; L6-V82 HydrophobicContact CB-CG2 4.34Å; L6-V82 HydrophobicContact CD2-CG1 4.09Å; L6-V82 WeakPolarHBondContact O-CA 3.29Å; L6-V83 PolarHBondContact O-N 3.44Å; L6-L84 HydrophobicContact CD2-CD2 3.58Å
7	T	96.4	Very high	87	Confident	39 Å²	39	83.9 Å²	83.9	24%	0.239	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.4	173.9	57.1	0	0	0	0	111.3	Y5 M64 I68 V83	Y5-T7 HydrophobicContact CD2-CG2 3.73Å; Y5-T7 HydrophobicContact CE2-CG2 3.67Å; T7-M64 HydrophobicContact CG2-CG 3.94Å; T7-M64 HydrophobicContact CG2-SD 3.35Å; T7-M64 WeakPolarHBondContact CG2-SD 3.18Å; T7-I68 HydrophobicContact CG2-CD1 3.35Å; T7-V83 VanDerWaalsContact CA-O 3.28Å; T7-V83 WeakPolarHBondContact CA-O 2.85Å; T7-V83 HydrophobicContact CG2-CB 4.37Å
8	K	96.9	Very high	87.2	Confident	94 Å²	94	81.6 Å²	81.6	41%	0.409	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	131.2	171.1	-166.5	-177.6	176.6	-159.8	0	110.4	S10 E12 V83 L84 H85	K8-S10 WeakPolarHBondContact CE-OG 3.07Å; K8-E12 WeakPolarHBondContact CE-OE2 3.41Å; K8-E12 IonicContact NZ-OE2 3.58Å; K8-E12 PolarHBondContact NZ-OE2 3.31Å; K8-V83 PolarHBondContact N-O 3.08Å; K8-V83 VanDerWaalsContact N-O 3.15Å; K8-L84 HydrophobicContact CB-CD2 3.76Å; K8-L84 CarbonylContact O-C 3.55Å; K8-L84 WeakPolarHBondContact O-CA 3.18Å; K8-H85 PolarHBondContact O-N 2.65Å
9	I	98.2	Very high	87.7	Confident	9 Å²	9	77.3 Å²	77.3	5%	0.046	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115	167.5	-49.4	175.6	0	0	0	108.3	L57 A60 Y61 M64 H85 Y87	I9-L57 HydrophobicContact CB-CD2 3.85Å; I9-L57 HydrophobicContact CG2-CD2 3.61Å; I9-A60 HydrophobicContact CD1-CB 3.46Å; I9-A60 VanDerWaalsContact CD1-CB 3.46Å; I9-Y61 HydrophobicContact CB-CE1 4.42Å; I9-Y61 HydrophobicContact CB-CE2 4.23Å; I9-Y61 HydrophobicContact CD1-CD1 4.37Å; I9-Y61 HydrophobicContact CD1-CD2 4.32Å; I9-Y61 HydrophobicContact CD1-CE1 4.34Å; I9-Y61 HydrophobicContact CD1-CE2 4.28Å; I9-Y61 HydrophobicContact CD1-CG 4.36Å; I9-Y61 HydrophobicContact CG1-CD1 4.43Å; I9-Y61 HydrophobicContact CG1-CE1 3.96Å; I9-Y61 HydrophobicContact CG1-CE2 4.33Å; I9-Y61 PolarHBondContact N-OH 3.14Å; I9-Y61 PolarHBondContact O-OH 3.33Å; I9-M64 HydrophobicContact CD1-CE 3.43Å; I9-M64 VanDerWaalsContact CD1-CE 3.43Å; I9-M64 HydrophobicContact CG1-CE 3.46Å; I9-M64 VanDerWaalsContact CG1-CE 3.46Å; I9-H85 VanDerWaalsContact CA-O 3.22Å; I9-H85 WeakPolarHBondContact CA-O 3.31Å; I9-H85 HydrophobicContact CG1-CB 4.44Å; I9-Y87 HydrophobicContact CG2-CD1 3.91Å
10	S	97.5	Very high	88	Confident	13 Å²	13	78.7 Å²	78.7	9%	0.091	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	170.5	-174.5	57.9	0	0	0	0	113.9	K8 E12 H85 R86 Y87	K8-S10 WeakPolarHBondContact CE-OG 3.07Å; S10-E12 WeakPolarHBondContact CB-OE2 2.89Å; S10-E12 PolarHBondContact OG-OE2 3.45Å; S10-H85 PolarHBondContact N-O 3.08Å; S10-H85 VanDerWaalsContact N-O 3.11Å; S10-R86 CarbonylContact O-C 3.59Å; S10-R86 WeakPolarHBondContact O-CA 3.46Å; S10-Y87 VanDerWaalsContact C-CD1 3.47Å; S10-Y87 PolarHBondContact O-N 3.32Å
11	I	97.8	Very high	88.2	Confident	92 Å²	92	80.6 Å²	80.6	47%	0.472	41%	0.408	S	S	.	.	S	Bend	trans	-83.4	-25.1	171.7	59.6	173.6	0	0	0	111.8	R86 Y87	I11-R86 PolarHBondContact O-NE 2.65Å; I11-R86 PolarHBondContact O-NH2 2.9Å; I11-Y87 WeakPolarHBondContact CA-O 3.49Å; I11-Y87 HydrophobicContact CG2-CD1 4.15Å; I11-Y87 HydrophobicContact CG2-CD2 3.94Å; I11-Y87 HydrophobicContact CG2-CE1 3.82Å; I11-Y87 HydrophobicContact CG2-CE2 3.55Å; I11-Y87 HydrophobicContact CG2-CG 4.22Å; I11-Y87 VanDerWaalsContact CG2-CZ 3.49Å
12	E	97.5	Very high	90.6	Very high	86 Å²	86	74.7 Å²	74.7	40%	0.402	38%	0.38	S	S	.	.	S	Bend	trans	-60.1	144.7	-177.1	-56.1	85.8	-108.9	0	0	112.7	K8 S10 R86	K8-E12 WeakPolarHBondContact CE-OE2 3.41Å; K8-E12 IonicContact NZ-OE2 3.58Å; K8-E12 PolarHBondContact NZ-OE2 3.31Å; S10-E12 WeakPolarHBondContact CB-OE2 2.89Å; S10-E12 PolarHBondContact OG-OE2 3.45Å; E12-R86 WeakPolarHBondContact O-CD 3.3Å; E12-R86 PolarHBondContact O-NE 3.07Å
13	P	97.6	Very high	92.6	Very high	76 Å²	76	66.5 Å²	66.5	49%	0.494	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-54.3	148	170.6	-25.6	35.3	0	0	0	113
14	I	97.7	Very high	94.2	Very high	18 Å²	18	67.9 Å²	67.9	9%	0.092	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-99.5	120.9	173.2	-62.6	164.5	0	0	0	107.8	V19 L84 R86 I95 A98	I14-V19 HydrophobicContact CG2-CG2 3.93Å; I14-L84 HydrophobicContact CD1-CB 3.73Å; I14-L84 HydrophobicContact CG1-CB 4.19Å; I14-L84 HydrophobicContact CG2-CD1 3.88Å; I14-R86 HydrophobicContact CD1-CG 3.78Å; I14-R86 HydrophobicContact CG1-CG 3.97Å; I14-I95 HydrophobicContact CB-CB 4.26Å; I14-I95 HydrophobicContact CB-CG2 4.1Å; I14-I95 HydrophobicContact CD1-CG2 4.09Å; I14-I95 HydrophobicContact CG2-CG2 4.25Å; I14-A98 HydrophobicContact CD1-CB 4.42Å; I14-A98 HydrophobicContact CG2-CB 3.92Å
15	E	94.6	Very high	94.5	Very high	110 Å²	110	66.1 Å²	66.1	51%	0.514	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-89	125.4	175.2	-66	-57.6	143.9	0	0	110.4	S17 S18	E15-S17 VanDerWaalsContact C-N 3.26Å; E15-S17 PolarHBondContact O-N 2.83Å; E15-S18 PolarHBondContact O-N 2.83Å; E15-S18 PolarHBondContact O-OG 2.9Å
16	Y	90.6	Very high	94.3	Very high	162 Å²	162	64.8 Å²	64.8	64%	0.635	34%	0.335	S	S	*	.	H	α-helix	trans	-57.2	-39.3	-175.9	77	-87.1	0	0	0	112.8	V19	Y16-V19 PolarHBondContact O-N 2.79Å
17	S	89.9	Confident	94.1	Very high	53 Å²	53	68.2 Å²	68.2	37%	0.371	37%	0.365	S	S	.	.	H	α-helix	trans	-66.8	-41.6	-177.7	49.3	0	0	0	0	111	E15 V19 F20 D21	E15-S17 VanDerWaalsContact C-N 3.26Å; E15-S17 PolarHBondContact O-N 2.83Å; S17-V19 PolarHBondContact O-N 2.77Å; S17-V19 VanDerWaalsContact O-N 3.16Å; S17-F20 PolarHBondContact O-N 2.95Å; S17-F20 VanDerWaalsContact O-N 3.08Å; S17-D21 PolarHBondContact O-N 2.65Å
18	S	91.2	Very high	94	Very high	42 Å²	42	69.2 Å²	69.2	29%	0.294	37%	0.373	S	S	.	.	H	α-helix	trans	-58.5	-31.5	178.5	73.8	0	0	0	0	112.5	E15 F20 D21 L22	E15-S18 PolarHBondContact O-N 2.83Å; E15-S18 PolarHBondContact O-OG 2.9Å; S18-F20 PolarHBondContact O-N 3.07Å; S18-D21 PolarHBondContact O-N 2.91Å; S18-L22 WeakPolarHBondContact O-CB 3.33Å; S18-L22 WeakPolarHBondContact O-CD1 3.44Å; S18-L22 WeakPolarHBondContact O-CG 3.48Å; S18-L22 PolarHBondContact O-N 2.91Å
19	V	95.6	Very high	93.9	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-68.3	-36	179.3	-179.7	0	0	0	0	112.1	I14 Y16 S17 I23 F36 L84 A98 A100	I14-V19 HydrophobicContact CG2-CG2 3.93Å; Y16-V19 PolarHBondContact O-N 2.79Å; S17-V19 PolarHBondContact O-N 2.77Å; S17-V19 VanDerWaalsContact O-N 3.16Å; V19-I23 WeakPolarHBondContact O-CG2 3.43Å; V19-I23 PolarHBondContact O-N 2.83Å; V19-F36 HydrophobicContact CB-CE1 4.27Å; V19-F36 HydrophobicContact CB-CZ 4.39Å; V19-F36 HydrophobicContact CG1-CE1 4.38Å; V19-F36 HydrophobicContact CG1-CZ 4.45Å; V19-F36 HydrophobicContact CG2-CE1 4.08Å; V19-L84 HydrophobicContact CG2-CD1 3.82Å; V19-A98 HydrophobicContact CG2-CB 4.05Å; V19-A100 HydrophobicContact CG1-CB 3.62Å
20	F	94.4	Very high	93.9	Very high	105 Å²	105	68.5 Å²	68.5	46%	0.461	39%	0.388	S	S	.	.	H	α-helix	trans	-67.1	-44.7	175.8	-179.9	-93.5	0	0	0	111.1	S17 S18 L22 I23 N24 I32	S17-F20 PolarHBondContact O-N 2.95Å; S17-F20 VanDerWaalsContact O-N 3.08Å; S18-F20 PolarHBondContact O-N 3.07Å; F20-L22 VanDerWaalsContact C-N 3.29Å; F20-L22 PolarHBondContact O-N 3.04Å; F20-I23 PolarHBondContact O-N 3.1Å; F20-N24 HydrophobicContact CD1-CB 4.37Å; F20-N24 HydrophobicContact CE1-CB 3.97Å; F20-N24 HydrophobicContact CE2-CB 4.44Å; F20-N24 HydrophobicContact CZ-CB 4.01Å; F20-N24 WeakPolarHBondContact O-CB 3.48Å; F20-N24 PolarHBondContact O-N 2.81Å; F20-I32 HydrophobicContact CD2-CD1 4.06Å; F20-I32 HydrophobicContact CE2-CD1 3.63Å; F20-I32 HydrophobicContact CZ-CD1 4.31Å
21	D	93	Very high	93.9	Very high	118 Å²	118	68.8 Å²	68.8	63%	0.631	39%	0.39	S	S	*	.	H	α-helix	trans	-65.6	-33.8	-179.8	-63.5	-26.7	0	0	0	112.1	S17 S18 I23	S17-D21 PolarHBondContact O-N 2.65Å; S18-D21 PolarHBondContact O-N 2.91Å; D21-I23 VanDerWaalsContact C-N 3.27Å; D21-I23 PolarHBondContact O-N 3.4Å
22	L	92.6	Very high	93.9	Very high	71 Å²	71	66.5 Å²	66.5	37%	0.372	38%	0.378	S	S	.	.	H	α-helix	trans	-68.2	-22.9	177.1	-73.7	170.2	0	0	0	113.7	L6 S18 F20 V82 L84	L6-L22 HydrophobicContact CD1-CD2 4.08Å; L6-L22 HydrophobicContact CD2-CD1 4.41Å; S18-L22 WeakPolarHBondContact O-CB 3.33Å; S18-L22 WeakPolarHBondContact O-CD1 3.44Å; S18-L22 WeakPolarHBondContact O-CG 3.48Å; S18-L22 PolarHBondContact O-N 2.91Å; F20-L22 VanDerWaalsContact C-N 3.29Å; F20-L22 PolarHBondContact O-N 3.04Å; L22-V82 HydrophobicContact CB-CG2 4.18Å; L22-L84 HydrophobicContact CD1-CD1 4.43Å
23	I	93.7	Very high	94	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-113	-18.2	-172.9	-156.3	167.9	0	0	0	114.4	V19 F20 D21 D25 I29 I32 D80 V82 A100 V101	V19-I23 WeakPolarHBondContact O-CG2 3.43Å; V19-I23 PolarHBondContact O-N 2.83Å; F20-I23 PolarHBondContact O-N 3.1Å; D21-I23 VanDerWaalsContact C-N 3.27Å; D21-I23 PolarHBondContact O-N 3.4Å; I23-D25 PolarHBondContact O-N 2.9Å; I23-I29 WeakPolarHBondContact O-CD1 3.41Å; I23-I32 HydrophobicContact CG2-CD1 3.91Å; I23-I32 HydrophobicContact CG2-CG1 4.21Å; I23-I32 HydrophobicContact CG2-CG2 3.77Å; I23-D80 HydrophobicContact CG1-CB 4.04Å; I23-V82 HydrophobicContact CB-CG2 3.86Å; I23-V82 HydrophobicContact CD1-CB 4.43Å; I23-V82 HydrophobicContact CD1-CG2 4.09Å; I23-V82 HydrophobicContact CG1-CG2 4Å; I23-A100 HydrophobicContact CB-CB 4.38Å; I23-A100 HydrophobicContact CD1-CB 3.42Å; I23-A100 VanDerWaalsContact CD1-CB 3.42Å; I23-A100 WeakPolarHBondContact CD1-O 3.49Å; I23-A100 HydrophobicContact CG1-CB 4.49Å; I23-A100 HydrophobicContact CG2-CB 4.15Å; I23-V101 VanDerWaalsContact CD1-N 3.3Å
24	N	92.3	Very high	94	Very high	80 Å²	80	62.7 Å²	62.7	43%	0.428	36%	0.36	S	S	.	.			trans	-91.9	64	-178.8	-172.4	47.4	0	0	0	111.6	F20 I32	F20-N24 HydrophobicContact CD1-CB 4.37Å; F20-N24 HydrophobicContact CE1-CB 3.97Å; F20-N24 HydrophobicContact CE2-CB 4.44Å; F20-N24 HydrophobicContact CZ-CB 4.01Å; F20-N24 WeakPolarHBondContact O-CB 3.48Å; F20-N24 PolarHBondContact O-N 2.81Å; N24-I32 HydrophobicContact CB-CD1 3.79Å
25	D	87.4	Confident	94	Very high	87 Å²	87	65.3 Å²	65.3	47%	0.465	37%	0.371	S	S	.	.			trans	-111	-3.9	-169.5	75.9	-19.3	0	0	0	114.9	I23	I23-D25 PolarHBondContact O-N 2.9Å
26	S	89.8	Confident	94.2	Very high	43 Å²	43	63 Å²	63	30%	0.301	36%	0.359	S	S	.	.			trans	-133.9	141.7	-174.7	173.5	0	0	0	0	112.9	S28 I29	S26-S28 PolarHBondContact O-N 2.88Å; S26-S28 PolarHBondContact OG-N 2.8Å; S26-S28 PolarHBondContact OG-OG 3.01Å; S26-I29 WeakPolarHBondContact O-CB 3.39Å; S26-I29 WeakPolarHBondContact O-CG1 3.27Å; S26-I29 PolarHBondContact O-N 2.82Å
27	S	91.7	Very high	94.6	Very high	135 Å²	135	55.9 Å²	55.9	94%	0.944	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.7	175	64	0	0	0	0	114.1	I29	S27-I29 VanDerWaalsContact C-N 3.28Å
28	S	93.4	Very high	95	Very high	60 Å²	60	57.6 Å²	57.6	42%	0.42	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.7	175	62.8	0	0	0	0	113.5	S26 G30 P104	S26-S28 PolarHBondContact O-N 2.88Å; S26-S28 PolarHBondContact OG-N 2.8Å; S26-S28 PolarHBondContact OG-OG 3.01Å; S28-G30 PolarHBondContact O-N 2.91Å; S28-P104 WeakPolarHBondContact O-CA 3.4Å
29	I	95.6	Very high	95.2	Very high	27 Å²	27	55.8 Å²	55.8	14%	0.138	33%	0.326	C	S	.	.			trans	-78.7	115.6	-177.3	-61.8	171.5	0	0	0	109.2	I23 S26 S27 I32 V79	I23-I29 WeakPolarHBondContact O-CD1 3.41Å; S26-I29 WeakPolarHBondContact O-CB 3.39Å; S26-I29 WeakPolarHBondContact O-CG1 3.27Å; S26-I29 PolarHBondContact O-N 2.82Å; S27-I29 VanDerWaalsContact C-N 3.28Å; I29-I32 HydrophobicContact CG2-CD1 4.13Å; I29-I32 HydrophobicContact CG2-CG1 3.72Å; I29-V79 HydrophobicContact CD1-CG1 4.2Å; I29-V79 HydrophobicContact CG1-CB 4.14Å; I29-V79 HydrophobicContact CG1-CG1 3.9Å; I29-V79 HydrophobicContact CG1-CG2 4.28Å
30	G	97.4	Very high	95.3	Very high	60 Å²	60	63.1 Å²	63.1	62%	0.619	35%	0.354	S	S	*	.			trans	-109.4	-2.9	171.6	0	0	0	0	0	113.2	S28 S103 P104	S28-G30 PolarHBondContact O-N 2.91Å; G30-S103 PolarHBondContact N-O 3.49Å; G30-P104 VanDerWaalsContact CA-O 3.31Å; G30-P104 WeakPolarHBondContact CA-O 3.37Å
31	S	98	Very high	95.3	Very high	19 Å²	19	62.6 Å²	62.6	13%	0.133	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	138.2	179.1	-178.5	0	0	0	0	111.3	S102 S103 R106 S109	S31-S102 CarbonylContact O-C 3.58Å; S31-S102 VanDerWaalsContact O-CA 3.29Å; S31-S102 WeakPolarHBondContact O-CA 3.48Å; S31-S103 PolarHBondContact N-O 3.18Å; S31-S103 PolarHBondContact O-N 3.07Å; S31-R106 VanDerWaalsContact OG-CA 3.28Å; S31-R106 WeakPolarHBondContact OG-CA 3.21Å; S31-S109 PolarHBondContact OG-OG 3.47Å
32	I	97.8	Very high	95.3	Very high	45 Å²	45	64 Å²	64	23%	0.231	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.3	167.3	-65.1	164	0	0	0	106.8	F20 I23 N24 I29 T34 V101	F20-I32 HydrophobicContact CD2-CD1 4.06Å; F20-I32 HydrophobicContact CE2-CD1 3.63Å; F20-I32 HydrophobicContact CZ-CD1 4.31Å; I23-I32 HydrophobicContact CG2-CD1 3.91Å; I23-I32 HydrophobicContact CG2-CG1 4.21Å; I23-I32 HydrophobicContact CG2-CG2 3.77Å; N24-I32 HydrophobicContact CB-CD1 3.79Å; I29-I32 HydrophobicContact CG2-CD1 4.13Å; I29-I32 HydrophobicContact CG2-CG1 3.72Å; I32-T34 HydrophobicContact CG2-CG2 3.95Å; I32-V101 WeakPolarHBondContact CA-O 3.14Å
33	S	98.6	Very high	95	Very high	10 Å²	10	61.9 Å²	61.9	7%	0.07	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.3	172.1	-61.5	0	0	0	0	108.9	A100 V101 S109 L110 V113	S33-A100 CarbonylContact O-C 3.37Å; S33-A100 WeakPolarHBondContact O-CA 3.49Å; S33-V101 PolarHBondContact N-O 2.96Å; S33-V101 PolarHBondContact O-N 3.38Å; S33-S109 PolarHBondContact OG-OG 2.7Å; S33-L110 WeakPolarHBondContact OG-CD2 3.27Å; S33-L110 WeakPolarHBondContact OG-CG 3.2Å; S33-L110 PolarHBondContact OG-N 2.85Å; S33-V113 VanDerWaalsContact O-CG2 3.3Å; S33-V113 WeakPolarHBondContact O-CG2 3.38Å
34	T	98.4	Very high	94.6	Very high	71 Å²	71	69.2 Å²	69.2	44%	0.436	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.3	-177.9	59.2	0	0	0	0	112.1	I32 I99 A100	I32-T34 HydrophobicContact CG2-CG2 3.95Å; T34-I99 CarbonylContact C-O 3.57Å; T34-I99 WeakPolarHBondContact CA-O 3.27Å; T34-A100 HydrophobicContact CG2-CB 3.76Å
35	F	98.6	Very high	94.2	Very high	74 Å²	74	74.9 Å²	74.9	33%	0.325	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.5	168.1	173.3	-89.6	0	0	0	109.2	V97 A98 I99 V113 I117	F35-V97 HydrophobicContact CE1-CG1 4.1Å; F35-A98 CarbonylContact O-C 3.49Å; F35-A98 WeakPolarHBondContact O-CA 3.31Å; F35-I99 HydrophobicContact CB-CB 4.44Å; F35-I99 HydrophobicContact CD1-CD1 4.49Å; F35-I99 PolarHBondContact N-O 2.95Å; F35-I99 PolarHBondContact O-N 3.36Å; F35-V113 HydrophobicContact CB-CG1 3.58Å; F35-I117 HydrophobicContact CD1-CB 4.27Å; F35-I117 HydrophobicContact CD1-CD1 3.76Å; F35-I117 HydrophobicContact CD1-CG1 3.84Å; F35-I117 HydrophobicContact CE1-CB 4.45Å; F35-I117 HydrophobicContact CE1-CD1 3.39Å; F35-I117 HydrophobicContact CE1-CG1 3.55Å; F35-I117 HydrophobicContact CE2-CG1 4.48Å; F35-I117 HydrophobicContact CG-CG1 4.44Å; F35-I117 HydrophobicContact CZ-CD1 4.16Å; F35-I117 HydrophobicContact CZ-CG1 3.9Å
36	F	98.5	Very high	94.3	Very high	61 Å²	61	76.2 Å²	76.2	27%	0.268	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.9	174.5	-60.5	-75.8	0	0	0	109.5	V19 I38 I95 V97 A98	V19-F36 HydrophobicContact CB-CE1 4.27Å; V19-F36 HydrophobicContact CB-CZ 4.39Å; V19-F36 HydrophobicContact CG1-CE1 4.38Å; V19-F36 HydrophobicContact CG1-CZ 4.45Å; V19-F36 HydrophobicContact CG2-CE1 4.08Å; F36-I38 HydrophobicContact CB-CG1 4.4Å; F36-I38 PolarHBondContact O-N 3.15Å; F36-I95 HydrophobicContact CB-CG1 4.43Å; F36-I95 HydrophobicContact CD1-CD1 3.75Å; F36-I95 HydrophobicContact CD1-CG1 4.4Å; F36-I95 HydrophobicContact CD1-CG2 4.13Å; F36-I95 HydrophobicContact CE1-CD1 4.27Å; F36-I95 HydrophobicContact CG-CD1 4.31Å; F36-V97 CarbonylContact C-O 3.56Å; F36-V97 WeakPolarHBondContact CA-O 3.5Å; F36-A98 HydrophobicContact CD1-CB 3.63Å; F36-A98 HydrophobicContact CE1-CB 3.71Å
37	G	97.9	Very high	94.6	Very high	12 Å²	12	77 Å²	77	12%	0.124	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	110.1	171.7	0	0	0	0	0	110.1	S96 V97	G37-S96 PolarHBondContact O-N 3.27Å; G37-S96 PolarHBondContact O-OG 3.47Å; G37-V97 PolarHBondContact N-O 3.46Å; G37-V97 PolarHBondContact O-N 2.9Å
38	I	97.9	Very high	94.8	Very high	90 Å²	90	70.8 Å²	70.8	46%	0.462	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138	-174.5	-59	170.7	0	0	0	110.2	F36 R40 G93 E94 I95	F36-I38 HydrophobicContact CB-CG1 4.4Å; F36-I38 PolarHBondContact O-N 3.15Å; I38-R40 PolarHBondContact O-N 2.7Å; I38-G93 WeakPolarHBondContact CG2-O 3.28Å; I38-E94 WeakPolarHBondContact CA-O 3.22Å; I38-I95 HydrophobicContact CG1-CG1 4.25Å
39	T	97.2	Very high	95	Very high	4 Å²	4	72 Å²	72	3%	0.025	36%	0.355	C	S	.	.			trans	-66.3	123.4	175.1	-62.7	0	0	0	0	110.6	L51 V90 P91 V92 G93 E94	T39-L51 HydrophobicContact CG2-CB 4.45Å; T39-L51 HydrophobicContact CG2-CD1 3.97Å; T39-L51 HydrophobicContact CG2-CG 3.69Å; T39-V90 WeakPolarHBondContact OG1-CG1 3.38Å; T39-V90 PolarHBondContact OG1-O 3.23Å; T39-P91 WeakPolarHBondContact CB-O 3.34Å; T39-V92 HydrophobicContact CG2-CB 4.49Å; T39-V92 HydrophobicContact CG2-CG2 3.96Å; T39-G93 PolarHBondContact O-N 2.92Å; T39-E94 PolarHBondContact N-O 2.81Å
40	R	96	Very high	95.1	Very high	154 Å²	154	71.2 Å²	71.2	58%	0.581	35%	0.352	S	S	*	.			trans	-90.6	142.7	-178.5	-61.4	-177.6	-64	124.6	11.3	111	I38 D43	I38-R40 PolarHBondContact O-N 2.7Å; R40-D43 IonicContact NH2-OD1 2.79Å; R40-D43 PolarHBondContact NH2-OD1 2.79Å
41	K	95.4	Very high	95.1	Very high	93 Å²	93	69.1 Å²	69.1	40%	0.404	33%	0.327	S	S	.	.	S	Bend	trans	-69.1	-34.5	176.4	-170.6	172.3	178	179.1	0	113.6	I47 V48 V92	K41-I47 HydrophobicContact CG-CG2 4.24Å; K41-V48 PolarHBondContact O-N 3.24Å; K41-V92 HydrophobicContact CB-CG1 3.74Å; K41-V92 HydrophobicContact CB-CG2 4.35Å; K41-V92 HydrophobicContact CG-CG1 4.33Å
42	Y	92.6	Very high	95.1	Very high	148 Å²	148	70.9 Å²	70.9	58%	0.58	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	129	-171.8	-55.6	-67.5	0	0	0	110.7	I47	Y42-I47 HydrophobicContact CD1-CG1 4.48Å; Y42-I47 HydrophobicContact CE1-CG1 4.37Å
43	D	86.2	Confident	95.1	Very high	26 Å²	26	69.3 Å²	69.3	14%	0.139	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	107.4	167.2	-158.5	59.7	0	0	0	109.6	R40 E45 R46 V48 K140	R40-D43 IonicContact NH2-OD1 2.79Å; R40-D43 PolarHBondContact NH2-OD1 2.79Å; D43-E45 PolarHBondContact O-N 3.28Å; D43-R46 PolarHBondContact N-O 3.46Å; D43-R46 VanDerWaalsContact N-O 3.15Å; D43-R46 PolarHBondContact O-N 2.86Å; D43-V48 HydrophobicContact CB-CG2 4.08Å; D43-K140 IonicContact OD1-NZ 2.7Å; D43-K140 PolarHBondContact OD1-NZ 2.8Å; D43-K140 IonicContact OD2-NZ 2.7Å; D43-K140 PolarHBondContact OD2-NZ 2.63Å
44	N	85.5	Confident	95.1	Very high	155 Å²	155	73.2 Å²	73.2	83%	0.829	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	-121.6	-167.8	-56.3	-45.1	0	0	0	111.3
45	E	84.3	Confident	95	Very high	198 Å²	198	71.2 Å²	71.2	93%	0.925	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	0.3	-178.9	-60.3	-178.1	169.7	0	0	113.3	D43	D43-E45 PolarHBondContact O-N 3.28Å
46	R	90	Very high	95	Very high	115 Å²	115	73.9 Å²	73.9	43%	0.434	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	144.4	-175	-63.2	-171.7	178.9	-158.8	-3.5	112.5	D43 Y132	D43-R46 PolarHBondContact N-O 3.46Å; D43-R46 VanDerWaalsContact N-O 3.15Å; D43-R46 PolarHBondContact O-N 2.86Å; R46-Y132 HydrophobicContact CB-CD1 3.64Å; R46-Y132 HydrophobicContact CB-CE1 3.61Å; R46-Y132 HydrophobicContact CB-CG 4.44Å; R46-Y132 HydrophobicContact CG-CD1 4.39Å; R46-Y132 HydrophobicContact CG-CE1 4.25Å
47	I	94.9	Very high	94.9	Very high	61 Å²	61	73.8 Å²	73.8	31%	0.313	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	111.1	172.4	-58.6	176.4	0	0	0	108.1	K41 Y42 Y132 E133	K41-I47 HydrophobicContact CG-CG2 4.24Å; Y42-I47 HydrophobicContact CD1-CG1 4.48Å; Y42-I47 HydrophobicContact CE1-CG1 4.37Å; I47-Y132 WeakPolarHBondContact O-CA 3.26Å; I47-E133 HydrophobicContact CB-CB 4.38Å; I47-E133 HydrophobicContact CG2-CB 4.3Å; I47-E133 PolarHBondContact O-N 2.86Å; I47-E133 VanDerWaalsContact O-N 3.07Å
48	V	96.6	Very high	94.9	Very high	3 Å²	3	81 Å²	81	2%	0.018	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	136.7	173.4	179.8	0	0	0	0	108.5	K41 D43 A50 L51 V92 E130 Y132	K41-V48 PolarHBondContact O-N 3.24Å; D43-V48 HydrophobicContact CB-CG2 4.08Å; V48-A50 WeakPolarHBondContact CG1-O 3.49Å; V48-L51 HydrophobicContact CG1-CD2 4.48Å; V48-V92 HydrophobicContact CG1-CG2 4.37Å; V48-V92 WeakPolarHBondContact O-CG2 3.34Å; V48-E130 HydrophobicContact CG2-CB 4.5Å; V48-E130 HydrophobicContact CG2-CG 4.37Å; V48-Y132 HydrophobicContact CG2-CD1 4.03Å; V48-Y132 HydrophobicContact CG2-CE1 3.87Å
49	Q	97.3	Very high	94.9	Very high	87 Å²	87	79.5 Å²	79.5	41%	0.407	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-39	171.8	-74.3	-68.5	-19.8	0	0	111.4	V92 I131 E133	Q49-V92 WeakPolarHBondContact O-CG2 3.31Å; Q49-V92 PolarHBondContact O-N 2.97Å; Q49-I131 PolarHBondContact N-O 3.01Å; Q49-E133 HydrophobicContact CG-CB 3.96Å; Q49-E133 HydrophobicContact CG-CG 4.49Å; Q49-E133 PolarHBondContact NE2-OE1 2.92Å; Q49-E133 VanDerWaalsContact NE2-OE1 3.08Å
50	A	97.8	Very high	94.9	Very high	9 Å²	9	79.3 Å²	79.3	7%	0.074	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	164.3	177.6	0	0	0	0	0	111.5	V48 I89 V90 I131	V48-A50 WeakPolarHBondContact CG1-O 3.49Å; A50-I89 HydrophobicContact CB-CG2 3.73Å; A50-V90 WeakPolarHBondContact CA-O 2.95Å; A50-I131 PolarHBondContact N-O 3.33Å; A50-I131 PolarHBondContact O-N 3.44Å
51	L	97.7	Very high	95	Very high	17 Å²	17	76 Å²	76	9%	0.089	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.9	161.3	-64.2	176.5	0	0	0	109.1	T39 V48 Y53 I89 V90 K129 E130	T39-L51 HydrophobicContact CG2-CB 4.45Å; T39-L51 HydrophobicContact CG2-CD1 3.97Å; T39-L51 HydrophobicContact CG2-CG 3.69Å; V48-L51 HydrophobicContact CG1-CD2 4.48Å; L51-Y53 HydrophobicContact CB-CD2 4.06Å; L51-Y53 HydrophobicContact CB-CE2 3.49Å; L51-Y53 VanDerWaalsContact CB-CE2 3.49Å; L51-Y53 HydrophobicContact CD1-CE2 3.95Å; L51-Y53 WeakPolarHBondContact CD1-OH 3.04Å; L51-Y53 HydrophobicContact CG-CE2 4.36Å; L51-I89 CarbonylContact O-C 3.6Å; L51-I89 WeakPolarHBondContact O-CA 3.44Å; L51-V90 PolarHBondContact N-O 3.15Å; L51-V90 PolarHBondContact O-N 3.19Å; L51-K129 CarbonylContact C-O 3.53Å; L51-K129 WeakPolarHBondContact CA-O 3.49Å; L51-E130 HydrophobicContact CD2-CB 4.26Å; L51-E130 HydrophobicContact CD2-CG 3.44Å; L51-E130 VanDerWaalsContact CD2-CG 3.44Å
52	E	98.1	Very high	95.1	Very high	56 Å²	56	75.5 Å²	75.5	26%	0.262	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.6	166.2	-175.5	172.5	-161.8	0	0	109.3	G88 I89 K128 K129 I131	E52-G88 WeakPolarHBondContact CA-O 3.39Å; E52-I89 HydrophobicContact CB-CD1 3.63Å; E52-I89 HydrophobicContact CG-CD1 3.62Å; E52-K128 CarbonylContact O-C 3.58Å; E52-K128 WeakPolarHBondContact O-CA 3.47Å; E52-K129 HydrophobicContact CB-CB 4.39Å; E52-K129 PolarHBondContact N-O 3.21Å; E52-K129 PolarHBondContact O-N 2.66Å; E52-K129 WeakPolarHBondContact OE2-CE 3.21Å; E52-K129 IonicContact OE2-NZ 2.65Å; E52-K129 PolarHBondContact OE2-NZ 3.26Å; E52-I131 HydrophobicContact CB-CD1 4Å; E52-I131 HydrophobicContact CB-CG1 4.47Å
53	Y	98.2	Very high	95.3	Very high	12 Å²	12	70.9 Å²	70.9	5%	0.047	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.9	-179.8	-73.7	-85.8	0	0	0	110.8	L51 G88 V90 S96 I126 W127 K128	L51-Y53 HydrophobicContact CB-CD2 4.06Å; L51-Y53 HydrophobicContact CB-CE2 3.49Å; L51-Y53 VanDerWaalsContact CB-CE2 3.49Å; L51-Y53 HydrophobicContact CD1-CE2 3.95Å; L51-Y53 WeakPolarHBondContact CD1-OH 3.04Å; L51-Y53 HydrophobicContact CG-CE2 4.36Å; Y53-G88 PolarHBondContact N-O 2.65Å; Y53-G88 PolarHBondContact O-N 2.74Å; Y53-V90 HydrophobicContact CD2-CB 4.32Å; Y53-V90 HydrophobicContact CD2-CG2 3.77Å; Y53-V90 HydrophobicContact CE2-CB 4.16Å; Y53-V90 HydrophobicContact CE2-CG2 3.96Å; Y53-S96 WeakPolarHBondContact OH-CB 3.22Å; Y53-S96 PolarHBondContact OH-OG 2.89Å; Y53-I126 HydrophobicContact CD1-CG2 3.76Å; Y53-I126 HydrophobicContact CG-CG2 4.5Å; Y53-W127 CarbonylContact C-O 3.59Å; Y53-W127 VanDerWaalsContact CA-O 3.27Å; Y53-W127 WeakPolarHBondContact CA-O 3.15Å; Y53-K128 HydrophobicContact CD1-CB 3.64Å; Y53-K128 HydrophobicContact CE1-CB 3.43Å; Y53-K128 VanDerWaalsContact CE1-CB 3.43Å; Y53-K128 HydrophobicContact CE1-CD 4.26Å; Y53-K128 HydrophobicContact CE1-CG 4.45Å; Y53-K128 HydrophobicContact CG-CB 4.43Å
54	E	97.7	Very high	95.8	Very high	92 Å²	92	69.7 Å²	69.7	43%	0.43	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	143.4	167.1	-72.2	-177.3	-151.8	0	0	109.5	I126 W127 W139	E54-I126 CarbonylContact O-C 3.58Å; E54-I126 VanDerWaalsContact O-CA 3.31Å; E54-I126 WeakPolarHBondContact O-CA 3.05Å; E54-W127 PolarHBondContact N-O 3.11Å; E54-W127 PolarHBondContact O-N 2.9Å; E54-W139 HydrophobicContact CB-CH2 4.14Å; E54-W139 VanDerWaalsContact CD-CH2 3.41Å; E54-W139 HydrophobicContact CG-CH2 3.84Å; E54-W139 VanDerWaalsContact OE1-CH2 3.3Å; E54-W139 WeakPolarHBondContact OE1-CH2 3.47Å; E54-W139 VanDerWaalsContact OE1-CZ2 3.31Å; E54-W139 WeakPolarHBondContact OE1-CZ2 3.32Å
55	C	97.8	Very high	96.4	Very high	28 Å²	28	63.6 Å²	63.6	19%	0.189	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	128	-171.9	177.6	0	0	0	0	111.5	L57 Y87 I126	C55-L57 VanDerWaalsContact C-N 3.3Å; C55-L57 HydrophobicContact CB-CD2 4.48Å; C55-L57 PolarHBondContact O-N 3.25Å; C55-L57 VanDerWaalsContact O-N 3.1Å; C55-Y87 HydrophobicContact CB-CG 4.35Å; C55-I126 HydrophobicContact CB-CG1 4.13Å
56	Y	97.4	Very high	97	Very high	130 Å²	130	57.7 Å²	57.7	51%	0.51	27%	0.268	S	S	.	.			trans	-82.8	80.7	164.2	-174	-171.2	0	0	0	109.8	K58 M59 A60 P125	Y56-K58 HydrophobicContact CE2-CB 4.08Å; Y56-K58 PolarHBondContact O-N 2.93Å; Y56-M59 HydrophobicContact CD1-CB 3.69Å; Y56-M59 HydrophobicContact CD1-CG 3.49Å; Y56-M59 VanDerWaalsContact CD1-CG 3.49Å; Y56-M59 HydrophobicContact CE1-CB 3.93Å; Y56-M59 HydrophobicContact CE1-CG 3.17Å; Y56-M59 HydrophobicContact CE2-CG 4.28Å; Y56-M59 HydrophobicContact CG-CB 4.04Å; Y56-M59 HydrophobicContact CG-CG 4.18Å; Y56-M59 PolarHBondContact O-N 2.99Å; Y56-M59 VanDerWaalsContact O-N 3.08Å; Y56-A60 WeakPolarHBondContact O-CB 3.41Å; Y56-A60 PolarHBondContact O-N 3.33Å; Y56-P125 PolarHBondContact N-O 2.93Å
57	L	97.3	Very high	97.4	Very high	59 Å²	59	52.3 Å²	52.3	31%	0.309	25%	0.248	S	C	.	.	H	α-helix	trans	-47	-51.1	-168.7	-75.1	167.9	0	0	0	114.5	I9 C55 M59 A60 Y61 Y87	I9-L57 HydrophobicContact CB-CD2 3.85Å; I9-L57 HydrophobicContact CG2-CD2 3.61Å; C55-L57 VanDerWaalsContact C-N 3.3Å; C55-L57 HydrophobicContact CB-CD2 4.48Å; C55-L57 PolarHBondContact O-N 3.25Å; C55-L57 VanDerWaalsContact O-N 3.1Å; L57-M59 VanDerWaalsContact C-N 3.34Å; L57-M59 PolarHBondContact O-N 3.19Å; L57-A60 PolarHBondContact O-N 3.46Å; L57-Y61 HydrophobicContact CD2-CE2 4.37Å; L57-Y61 WeakPolarHBondContact O-CD2 3.22Å; L57-Y61 PolarHBondContact O-N 3.48Å; L57-Y87 HydrophobicContact CD1-CE1 4.35Å; L57-Y87 HydrophobicContact CD2-CD1 4.14Å; L57-Y87 HydrophobicContact CD2-CE1 4.05Å
58	K	97	Very high	97.5	Very high	165 Å²	165	49.4 Å²	49.4	72%	0.717	23%	0.233	S	C	*	.	H	α-helix	trans	-58.7	-45.4	-177.2	-176.1	179.9	177.9	-177.5	0	112	Y56 L62	Y56-K58 HydrophobicContact CE2-CB 4.08Å; Y56-K58 PolarHBondContact O-N 2.93Å; K58-L62 PolarHBondContact O-N 3.18Å
59	M	97.7	Very high	97.6	Very high	58 Å²	58	54.1 Å²	54.1	29%	0.286	25%	0.253	S	S	.	.	H	α-helix	trans	-74.8	-34.6	178.1	-72.7	-56.5	-57.2	0	0	112	Y56 L57 Y61 L62 E63 P125	Y56-M59 HydrophobicContact CD1-CB 3.69Å; Y56-M59 HydrophobicContact CD1-CG 3.49Å; Y56-M59 VanDerWaalsContact CD1-CG 3.49Å; Y56-M59 HydrophobicContact CE1-CB 3.93Å; Y56-M59 HydrophobicContact CE1-CG 3.17Å; Y56-M59 HydrophobicContact CE2-CG 4.28Å; Y56-M59 HydrophobicContact CG-CB 4.04Å; Y56-M59 HydrophobicContact CG-CG 4.18Å; Y56-M59 PolarHBondContact O-N 2.99Å; Y56-M59 VanDerWaalsContact O-N 3.08Å; L57-M59 VanDerWaalsContact C-N 3.34Å; L57-M59 PolarHBondContact O-N 3.19Å; M59-Y61 VanDerWaalsContact C-N 3.34Å; M59-Y61 PolarHBondContact O-N 3.21Å; M59-L62 HydrophobicContact CE-CD2 3.83Å; M59-L62 WeakPolarHBondContact O-CB 3.42Å; M59-L62 PolarHBondContact O-N 3.38Å; M59-L62 VanDerWaalsContact O-N 3.14Å; M59-L62 HydrophobicContact SD-CD2 4.04Å; M59-E63 WeakPolarHBondContact O-CG 3.2Å; M59-E63 PolarHBondContact O-N 3.5Å; M59-P125 HydrophobicContact CB-CG 3.82Å
60	A	97.9	Very high	97.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-42	176.6	0	0	0	0	0	112.4	I9 Y56 L57 M64 P125 I126	I9-A60 HydrophobicContact CD1-CB 3.46Å; I9-A60 VanDerWaalsContact CD1-CB 3.46Å; Y56-A60 WeakPolarHBondContact O-CB 3.41Å; Y56-A60 PolarHBondContact O-N 3.33Å; L57-A60 PolarHBondContact O-N 3.46Å; A60-M64 WeakPolarHBondContact O-CB 3.36Å; A60-M64 PolarHBondContact O-N 3.01Å; A60-P125 HydrophobicContact CB-CG 4.03Å; A60-I126 HydrophobicContact CB-CG1 4.36Å
61	Y	97.6	Very high	97.6	Very high	83 Å²	83	52.3 Å²	52.3	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-64.8	-39.6	172.9	-78.9	-67.5	0	0	0	112.7	I9 L57 M59 M64 D65	I9-Y61 HydrophobicContact CB-CE1 4.42Å; I9-Y61 HydrophobicContact CB-CE2 4.23Å; I9-Y61 HydrophobicContact CD1-CD1 4.37Å; I9-Y61 HydrophobicContact CD1-CD2 4.32Å; I9-Y61 HydrophobicContact CD1-CE1 4.34Å; I9-Y61 HydrophobicContact CD1-CE2 4.28Å; I9-Y61 HydrophobicContact CD1-CG 4.36Å; I9-Y61 HydrophobicContact CG1-CD1 4.43Å; I9-Y61 HydrophobicContact CG1-CE1 3.96Å; I9-Y61 HydrophobicContact CG1-CE2 4.33Å; I9-Y61 PolarHBondContact N-OH 3.14Å; I9-Y61 PolarHBondContact O-OH 3.33Å; L57-Y61 HydrophobicContact CD2-CE2 4.37Å; L57-Y61 WeakPolarHBondContact O-CD2 3.22Å; L57-Y61 PolarHBondContact O-N 3.48Å; M59-Y61 VanDerWaalsContact C-N 3.34Å; M59-Y61 PolarHBondContact O-N 3.21Å; Y61-M64 PolarHBondContact O-N 2.85Å; Y61-D65 WeakPolarHBondContact O-CB 3.5Å; Y61-D65 PolarHBondContact O-N 2.9Å
62	L	96.9	Very high	97.6	Very high	84 Å²	84	52.5 Å²	52.5	44%	0.44	25%	0.245	S	C	.	.	H	α-helix	trans	-62.8	-48.8	177.7	-178.2	64.8	0	0	0	111.8	K58 M59 M64 D65 N66	K58-L62 PolarHBondContact O-N 3.18Å; M59-L62 HydrophobicContact CE-CD2 3.83Å; M59-L62 WeakPolarHBondContact O-CB 3.42Å; M59-L62 PolarHBondContact O-N 3.38Å; M59-L62 VanDerWaalsContact O-N 3.14Å; M59-L62 HydrophobicContact SD-CD2 4.04Å; L62-M64 VanDerWaalsContact C-N 3.34Å; L62-M64 PolarHBondContact O-N 3.43Å; L62-D65 PolarHBondContact O-N 3.08Å; L62-N66 PolarHBondContact O-N 3.35Å; L62-N66 VanDerWaalsContact O-N 3.11Å; L62-N66 PolarHBondContact O-ND2 2.76Å
63	E	97.5	Very high	97.6	Very high	50 Å²	50	57.3 Å²	57.3	23%	0.234	27%	0.265	C	S	.	.	H	α-helix	trans	-66.2	-37.8	178.5	-64.7	-51.4	146.2	0	0	111.7	M59 N66 I67 L124	M59-E63 WeakPolarHBondContact O-CG 3.2Å; M59-E63 PolarHBondContact O-N 3.5Å; E63-N66 PolarHBondContact O-N 3.19Å; E63-I67 WeakPolarHBondContact O-CB 3.49Å; E63-I67 WeakPolarHBondContact O-CD1 3.42Å; E63-I67 VanDerWaalsContact O-CG1 3.22Å; E63-I67 WeakPolarHBondContact O-CG1 3.48Å; E63-I67 PolarHBondContact O-N 3.06Å; E63-L124 HydrophobicContact CB-CD1 4.05Å
64	M	97.1	Very high	97.6	Very high	1 Å²	1	61 Å²	61	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-43.4	176.6	-163.7	-176.2	-35.8	0	0	112.1	T7 I9 A60 Y61 L62 N66 I67 I68 V83 L124	T7-M64 HydrophobicContact CG2-CG 3.94Å; T7-M64 HydrophobicContact CG2-SD 3.35Å; T7-M64 WeakPolarHBondContact CG2-SD 3.18Å; I9-M64 HydrophobicContact CD1-CE 3.43Å; I9-M64 VanDerWaalsContact CD1-CE 3.43Å; I9-M64 HydrophobicContact CG1-CE 3.46Å; I9-M64 VanDerWaalsContact CG1-CE 3.46Å; A60-M64 WeakPolarHBondContact O-CB 3.36Å; A60-M64 PolarHBondContact O-N 3.01Å; Y61-M64 PolarHBondContact O-N 2.85Å; L62-M64 VanDerWaalsContact C-N 3.34Å; L62-M64 PolarHBondContact O-N 3.43Å; M64-N66 VanDerWaalsContact C-N 3.34Å; M64-N66 PolarHBondContact O-N 2.77Å; M64-I67 PolarHBondContact O-N 3.05Å; M64-I68 HydrophobicContact CG-CD1 3.93Å; M64-I68 VanDerWaalsContact O-CG1 3.28Å; M64-I68 WeakPolarHBondContact O-CG1 3.49Å; M64-I68 PolarHBondContact O-N 2.83Å; M64-V83 HydrophobicContact CG-CB 4.35Å; M64-V83 HydrophobicContact CG-CG1 4.08Å; M64-V83 HydrophobicContact SD-CB 3.73Å; M64-V83 HydrophobicContact SD-CG1 3.46Å; M64-V83 WeakPolarHBondContact SD-CG1 3.19Å; M64-L124 HydrophobicContact CB-CD1 4.31Å; M64-L124 HydrophobicContact CB-CD2 4.42Å; M64-L124 HydrophobicContact CE-CD2 3.84Å
65	D	97.3	Very high	97.6	Very high	27 Å²	27	58.4 Å²	58.4	14%	0.144	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-45.1	173.3	171.6	59.3	0	0	0	111.5	Y5 Y61 L62 I68 K69	Y5-D65 VanDerWaalsContact OH-CG 3.29Å; Y5-D65 PolarHBondContact OH-OD1 2.87Å; Y61-D65 WeakPolarHBondContact O-CB 3.5Å; Y61-D65 PolarHBondContact O-N 2.9Å; L62-D65 PolarHBondContact O-N 3.08Å; D65-I68 PolarHBondContact O-N 3.45Å; D65-K69 WeakPolarHBondContact O-CB 3.47Å; D65-K69 WeakPolarHBondContact O-CG 3.5Å; D65-K69 PolarHBondContact O-N 3.5Å; D65-K69 WeakPolarHBondContact OD1-CD 3.11Å; D65-K69 WeakPolarHBondContact OD1-CE 3.38Å; D65-K69 IonicContact OD1-NZ 2.89Å; D65-K69 PolarHBondContact OD1-NZ 3.19Å; D65-K69 IonicContact OD2-NZ 2.7Å; D65-K69 PolarHBondContact OD2-NZ 3.15Å
66	N	97.3	Very high	97.5	Very high	74 Å²	74	61 Å²	61	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-46.8	178	-72.5	-31.5	0	0	0	112.2	L62 E63 M64 K69 N70	L62-N66 PolarHBondContact O-N 3.35Å; L62-N66 VanDerWaalsContact O-N 3.11Å; L62-N66 PolarHBondContact O-ND2 2.76Å; E63-N66 PolarHBondContact O-N 3.19Å; M64-N66 VanDerWaalsContact C-N 3.34Å; M64-N66 PolarHBondContact O-N 2.77Å; N66-K69 PolarHBondContact O-N 2.83Å; N66-N70 WeakPolarHBondContact O-CB 3.22Å; N66-N70 PolarHBondContact O-N 3.29Å
67	I	98.1	Very high	97.4	Very high	2 Å²	2	57 Å²	57	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-47.3	179.4	-69.9	163.5	0	0	0	110.8	E63 M64 N70 S71 Y115 L116 I120 Q123 L124	E63-I67 WeakPolarHBondContact O-CB 3.49Å; E63-I67 WeakPolarHBondContact O-CD1 3.42Å; E63-I67 VanDerWaalsContact O-CG1 3.22Å; E63-I67 WeakPolarHBondContact O-CG1 3.48Å; E63-I67 PolarHBondContact O-N 3.06Å; M64-I67 PolarHBondContact O-N 3.05Å; I67-N70 WeakPolarHBondContact O-CB 3.39Å; I67-N70 PolarHBondContact O-N 3.31Å; I67-S71 PolarHBondContact O-N 3.11Å; I67-Y115 HydrophobicContact CG2-CE1 4.21Å; I67-L116 HydrophobicContact CG2-CD2 3.7Å; I67-I120 HydrophobicContact CD1-CG1 4.43Å; I67-Q123 HydrophobicContact CD1-CB 4.15Å; I67-L124 HydrophobicContact CD1-CD1 3.49Å; I67-L124 VanDerWaalsContact CD1-CD1 3.49Å
68	I	98.3	Very high	97.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-44.9	180	-66.3	167.6	0	0	0	110.7	Y5 T7 M64 D65 N70 S71 Y72 V81 V83 L116	Y5-I68 HydrophobicContact CD1-CG2 3.67Å; Y5-I68 HydrophobicContact CD2-CD1 3.79Å; Y5-I68 HydrophobicContact CD2-CG2 4.15Å; Y5-I68 HydrophobicContact CE1-CG2 4.31Å; Y5-I68 HydrophobicContact CE2-CD1 4.14Å; Y5-I68 HydrophobicContact CG-CD1 4.32Å; Y5-I68 HydrophobicContact CG-CG2 3.59Å; T7-I68 HydrophobicContact CG2-CD1 3.35Å; M64-I68 HydrophobicContact CG-CD1 3.93Å; M64-I68 VanDerWaalsContact O-CG1 3.28Å; M64-I68 WeakPolarHBondContact O-CG1 3.49Å; M64-I68 PolarHBondContact O-N 2.83Å; D65-I68 PolarHBondContact O-N 3.45Å; I68-N70 PolarHBondContact O-N 2.84Å; I68-S71 PolarHBondContact O-N 2.9Å; I68-S71 VanDerWaalsContact O-N 3.08Å; I68-S71 PolarHBondContact O-OG 2.97Å; I68-Y72 HydrophobicContact CG2-CD2 4.05Å; I68-Y72 HydrophobicContact CG2-CE2 3.73Å; I68-Y72 VanDerWaalsContact O-CD2 3.28Å; I68-Y72 WeakPolarHBondContact O-CD2 3.32Å; I68-Y72 PolarHBondContact O-N 2.78Å; I68-V81 HydrophobicContact CD1-CG1 4.3Å; I68-V81 HydrophobicContact CG1-CG1 4.05Å; I68-V81 HydrophobicContact CG2-CB 4.03Å; I68-V81 HydrophobicContact CG2-CG1 3.95Å; I68-V81 HydrophobicContact CG2-CG2 4.43Å; I68-V83 HydrophobicContact CD1-CB 4.2Å; I68-V83 HydrophobicContact CD1-CG2 3.76Å; I68-V83 HydrophobicContact CG1-CG2 4.09Å; I68-L116 HydrophobicContact CG1-CD2 4.17Å
69	K	97.2	Very high	97.3	Very high	103 Å²	103	48.3 Å²	48.3	45%	0.448	24%	0.241	S	C	.	.	H	α-helix	trans	-59	-35.1	174.3	-78.2	172.9	173.6	157.5	0	111.9	D65 N66 K73	D65-K69 WeakPolarHBondContact O-CB 3.47Å; D65-K69 WeakPolarHBondContact O-CG 3.5Å; D65-K69 PolarHBondContact O-N 3.5Å; D65-K69 WeakPolarHBondContact OD1-CD 3.11Å; D65-K69 WeakPolarHBondContact OD1-CE 3.38Å; D65-K69 IonicContact OD1-NZ 2.89Å; D65-K69 PolarHBondContact OD1-NZ 3.19Å; D65-K69 IonicContact OD2-NZ 2.7Å; D65-K69 PolarHBondContact OD2-NZ 3.15Å; N66-K69 PolarHBondContact O-N 2.83Å; K69-K73 WeakPolarHBondContact O-CG 3.33Å; K69-K73 PolarHBondContact O-N 3.48Å
70	N	97.9	Very high	97.3	Very high	58 Å²	58	45.7 Å²	45.7	31%	0.31	23%	0.229	S	C	.	.	H	α-helix	trans	-70.3	-36.1	175.8	-163.9	62.4	0	0	0	112.5	N66 I67 I68 Y72 K73 L74 Y115	N66-N70 WeakPolarHBondContact O-CB 3.22Å; N66-N70 PolarHBondContact O-N 3.29Å; I67-N70 WeakPolarHBondContact O-CB 3.39Å; I67-N70 PolarHBondContact O-N 3.31Å; I68-N70 PolarHBondContact O-N 2.84Å; N70-Y72 VanDerWaalsContact C-N 3.31Å; N70-Y72 PolarHBondContact O-N 2.85Å; N70-K73 WeakPolarHBondContact O-CB 3.47Å; N70-K73 PolarHBondContact O-N 2.79Å; N70-K73 VanDerWaalsContact O-N 3.08Å; N70-L74 WeakPolarHBondContact O-CG 3.49Å; N70-L74 PolarHBondContact O-N 3.5Å; N70-Y115 PolarHBondContact ND2-OH 3.41Å
71	S	98.2	Very high	97.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-39.5	174.4	67.2	0	0	0	0	111.9	I67 I68 K73 L74 W75	I67-S71 PolarHBondContact O-N 3.11Å; I68-S71 PolarHBondContact O-N 2.9Å; I68-S71 VanDerWaalsContact O-N 3.08Å; I68-S71 PolarHBondContact O-OG 2.97Å; S71-K73 VanDerWaalsContact C-N 3.27Å; S71-K73 PolarHBondContact O-N 2.97Å; S71-L74 PolarHBondContact O-N 3.41Å; S71-W75 PolarHBondContact O-N 3.45Å
72	Y	97.6	Very high	97.3	Very high	20 Å²	20	41.8 Å²	41.8	8%	0.078	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-29.5	173.6	-78	-72.8	0	0	0	113.9	S3 Q4 I68 N70 W75 P76 L78 V79 D80 V81	S3-Y72 WeakPolarHBondContact OG-CD1 3.45Å; S3-Y72 WeakPolarHBondContact OG-CE1 3.44Å; Q4-Y72 PolarHBondContact O-OH 3.31Å; I68-Y72 HydrophobicContact CG2-CD2 4.05Å; I68-Y72 HydrophobicContact CG2-CE2 3.73Å; I68-Y72 VanDerWaalsContact O-CD2 3.28Å; I68-Y72 WeakPolarHBondContact O-CD2 3.32Å; I68-Y72 PolarHBondContact O-N 2.78Å; N70-Y72 VanDerWaalsContact C-N 3.31Å; N70-Y72 PolarHBondContact O-N 2.85Å; Y72-W75 CarbonylContact O-C 3.56Å; Y72-P76 WeakPolarHBondContact O-CA 3.49Å; Y72-L78 HydrophobicContact CD1-CB 3.79Å; Y72-L78 HydrophobicContact CE1-CB 3.6Å; Y72-L78 WeakPolarHBondContact CE1-O 3.33Å; Y72-V79 PolarHBondContact OH-O 3.5Å; Y72-D80 VanDerWaalsContact OH-CA 3.29Å; Y72-D80 WeakPolarHBondContact OH-CA 3.21Å; Y72-V81 HydrophobicContact CE2-CB 4.28Å; Y72-V81 HydrophobicContact CE2-CG2 3.83Å; Y72-V81 PolarHBondContact OH-N 3.03Å
73	K	97.2	Very high	97.3	Very high	158 Å²	158	37.8 Å²	37.8	69%	0.687	19%	0.192	S	C	*	.	H	α-helix	trans	-72.1	-40.2	174.1	-67.2	173.1	-174.4	174.4	0	111.6	K69 N70 S71	K69-K73 WeakPolarHBondContact O-CG 3.33Å; K69-K73 PolarHBondContact O-N 3.48Å; N70-K73 WeakPolarHBondContact O-CB 3.47Å; N70-K73 PolarHBondContact O-N 2.79Å; N70-K73 VanDerWaalsContact O-N 3.08Å; S71-K73 VanDerWaalsContact C-N 3.27Å; S71-K73 PolarHBondContact O-N 2.97Å
74	L	98.3	Very high	97.4	Very high	88 Å²	88	36 Å²	36	46%	0.461	19%	0.185	S	C	.	.	H	α-helix	trans	-71.4	-37.4	179.2	-67.9	174	0	0	0	112.1	N70 S71 Y115	N70-L74 WeakPolarHBondContact O-CG 3.49Å; N70-L74 PolarHBondContact O-N 3.5Å; S71-L74 PolarHBondContact O-N 3.41Å; L74-Y115 HydrophobicContact CD1-CD1 4.47Å; L74-Y115 HydrophobicContact CD1-CD2 4.12Å; L74-Y115 HydrophobicContact CD1-CE1 4.28Å; L74-Y115 HydrophobicContact CD1-CE2 3.92Å; L74-Y115 HydrophobicContact CD1-CG 4.4Å
75	W	97.8	Very high	97.4	Very high	38 Å²	38	36.2 Å²	36.2	14%	0.144	19%	0.186	C	C	.	.			trans	-128.6	87.1	178.6	-59.2	-81	0	0	0	110.3	S71 Y72 S77 L78 D108 D111 A112 Y115	S71-W75 PolarHBondContact O-N 3.45Å; Y72-W75 CarbonylContact O-C 3.56Å; W75-S77 PolarHBondContact O-N 2.97Å; W75-L78 HydrophobicContact CB-CD1 4.03Å; W75-L78 HydrophobicContact CB-CD2 4.11Å; W75-L78 HydrophobicContact CB-CG 3.7Å; W75-L78 HydrophobicContact CE3-CD1 4.5Å; W75-L78 VanDerWaalsContact O-CG 3.32Å; W75-L78 WeakPolarHBondContact O-CG 3.38Å; W75-L78 PolarHBondContact O-N 3.05Å; W75-D108 HydrophobicContact CB-CB 4.18Å; W75-D108 HydrophobicContact CG-CB 4.17Å; W75-D111 HydrophobicContact CZ2-CB 3.74Å; W75-A112 HydrophobicContact CD2-CB 4.14Å; W75-A112 HydrophobicContact CE3-CB 3.72Å; W75-A112 HydrophobicContact CZ3-CB 4.06Å; W75-Y115 VanDerWaalsContact CH2-CB 3.47Å; W75-Y115 HydrophobicContact CH2-CD1 4.27Å; W75-Y115 HydrophobicContact CH2-CD2 4.36Å; W75-Y115 AromaticContact CH2-CG 3.77Å; W75-Y115 HydrophobicContact CH2-CG 3.77Å; W75-Y115 AromaticContact CZ3-CD1 3.78Å; W75-Y115 HydrophobicContact CZ3-CD1 3.78Å; W75-Y115 AromaticContact CZ3-CG 3.77Å; W75-Y115 HydrophobicContact CZ3-CG 3.77Å
76	P	96.1	Very high	97.5	Very high	84 Å²	84	35.4 Å²	35.4	55%	0.545	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-11	-179.5	-25.6	36	0	0	0	115.2	Y72	Y72-P76 WeakPolarHBondContact O-CA 3.49Å
77	S	95.4	Very high	97.5	Very high	44 Å²	44	35.5 Å²	35.5	31%	0.308	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.1	179.6	74.6	0	0	0	0	113.6	W75 V79 P104 D108	W75-S77 PolarHBondContact O-N 2.97Å; S77-V79 PolarHBondContact O-N 3.47Å; S77-P104 WeakPolarHBondContact O-CD 3.47Å; S77-D108 WeakPolarHBondContact OG-CB 3.42Å; S77-D108 PolarHBondContact OG-OD2 3.33Å
78	L	96.8	Very high	97.5	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	19%	0.185	C	C	.	.			trans	-59.7	137.5	177	-62.3	-175.4	0	0	0	109.8	Y72 W75 V81 V101 D108 A112	Y72-L78 HydrophobicContact CD1-CB 3.79Å; Y72-L78 HydrophobicContact CE1-CB 3.6Å; Y72-L78 WeakPolarHBondContact CE1-O 3.33Å; W75-L78 HydrophobicContact CB-CD1 4.03Å; W75-L78 HydrophobicContact CB-CD2 4.11Å; W75-L78 HydrophobicContact CB-CG 3.7Å; W75-L78 HydrophobicContact CE3-CD1 4.5Å; W75-L78 VanDerWaalsContact O-CG 3.32Å; W75-L78 WeakPolarHBondContact O-CG 3.38Å; W75-L78 PolarHBondContact O-N 3.05Å; L78-V81 HydrophobicContact CD1-CG2 4.3Å; L78-V101 HydrophobicContact CD1-CG1 3.99Å; L78-V101 HydrophobicContact CD2-CG1 3.45Å; L78-V101 VanDerWaalsContact CD2-CG1 3.45Å; L78-V101 HydrophobicContact CG-CG1 4.18Å; L78-D108 HydrophobicContact CD2-CB 4.14Å; L78-A112 HydrophobicContact CD1-CB 3.76Å; L78-A112 HydrophobicContact CD2-CB 4.06Å
79	V	95.8	Very high	97.5	Very high	35 Å²	35	40.2 Å²	40.2	21%	0.212	21%	0.205	C	C	.	.			trans	-92.5	-67.4	179.4	178.5	0	0	0	0	108.4	I29 Y72 S77 S102	I29-V79 HydrophobicContact CD1-CG1 4.2Å; I29-V79 HydrophobicContact CG1-CB 4.14Å; I29-V79 HydrophobicContact CG1-CG1 3.9Å; I29-V79 HydrophobicContact CG1-CG2 4.28Å; Y72-V79 PolarHBondContact OH-O 3.5Å; S77-V79 PolarHBondContact O-N 3.47Å; V79-S102 PolarHBondContact N-O 2.9Å
80	D	96.1	Very high	97.6	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	155.4	179.8	-153	-42.2	0	0	0	110.8	Q4 Y5 I23 Y72 S102	Q4-D80 VanDerWaalsContact O-CG 3.28Å; Y5-D80 WeakPolarHBondContact CA-OD1 3.44Å; I23-D80 HydrophobicContact CG1-CB 4.04Å; Y72-D80 VanDerWaalsContact OH-CA 3.29Å; Y72-D80 WeakPolarHBondContact OH-CA 3.21Å; D80-S102 PolarHBondContact N-OG 3.3Å; D80-S102 PolarHBondContact O-N 3.46Å; D80-S102 PolarHBondContact O-OG 3.38Å
81	V	97.6	Very high	97.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125	176.4	175.1	0	0	0	0	108.6	Y5 L6 I68 Y72 L78 V83 A100 V101 L116	Y5-V81 CarbonylContact C-O 3.56Å; Y5-V81 WeakPolarHBondContact CA-O 3.37Å; Y5-V81 WeakPolarHBondContact CB-O 3.12Å; L6-V81 PolarHBondContact N-O 3.4Å; I68-V81 HydrophobicContact CD1-CG1 4.3Å; I68-V81 HydrophobicContact CG1-CG1 4.05Å; I68-V81 HydrophobicContact CG2-CB 4.03Å; I68-V81 HydrophobicContact CG2-CG1 3.95Å; I68-V81 HydrophobicContact CG2-CG2 4.43Å; Y72-V81 HydrophobicContact CE2-CB 4.28Å; Y72-V81 HydrophobicContact CE2-CG2 3.83Å; Y72-V81 PolarHBondContact OH-N 3.03Å; L78-V81 HydrophobicContact CD1-CG2 4.3Å; V81-V83 HydrophobicContact CG1-CG2 3.96Å; V81-A100 WeakPolarHBondContact CA-O 3.29Å; V81-V101 HydrophobicContact CG1-CG2 4.44Å; V81-V101 HydrophobicContact CG2-CG1 4.16Å; V81-V101 HydrophobicContact CG2-CG2 4.24Å; V81-L116 HydrophobicContact CG1-CD1 3.7Å
82	V	97.8	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.8	172.6	178	0	0	0	0	108.8	L6 L22 I23 L84 I99 A100	L6-V82 HydrophobicContact CB-CG2 4.34Å; L6-V82 HydrophobicContact CD2-CG1 4.09Å; L6-V82 WeakPolarHBondContact O-CA 3.29Å; L22-V82 HydrophobicContact CB-CG2 4.18Å; I23-V82 HydrophobicContact CB-CG2 3.86Å; I23-V82 HydrophobicContact CD1-CB 4.43Å; I23-V82 HydrophobicContact CD1-CG2 4.09Å; I23-V82 HydrophobicContact CG1-CG2 4Å; V82-L84 HydrophobicContact CG1-CD1 4.39Å; V82-L84 HydrophobicContact CG1-CD2 3.96Å; V82-L84 HydrophobicContact CG1-CG 3.91Å; V82-I99 CarbonylContact O-C 3.51Å; V82-I99 VanDerWaalsContact O-CA 3.31Å; V82-I99 WeakPolarHBondContact O-CA 3.4Å; V82-A100 HydrophobicContact CB-CB 4.31Å; V82-A100 PolarHBondContact N-O 2.77Å; V82-A100 PolarHBondContact O-N 2.95Å
83	V	98.3	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	113.1	172.7	-177.7	0	0	0	0	109.8	L6 T7 K8 M64 I68 V81 A98 I99 I120	L6-V83 PolarHBondContact O-N 3.44Å; T7-V83 VanDerWaalsContact CA-O 3.28Å; T7-V83 WeakPolarHBondContact CA-O 2.85Å; T7-V83 HydrophobicContact CG2-CB 4.37Å; K8-V83 PolarHBondContact N-O 3.08Å; K8-V83 VanDerWaalsContact N-O 3.15Å; M64-V83 HydrophobicContact CG-CB 4.35Å; M64-V83 HydrophobicContact CG-CG1 4.08Å; M64-V83 HydrophobicContact SD-CB 3.73Å; M64-V83 HydrophobicContact SD-CG1 3.46Å; M64-V83 WeakPolarHBondContact SD-CG1 3.19Å; I68-V83 HydrophobicContact CD1-CB 4.2Å; I68-V83 HydrophobicContact CD1-CG2 3.76Å; I68-V83 HydrophobicContact CG1-CG2 4.09Å; V81-V83 HydrophobicContact CG1-CG2 3.96Å; V83-A98 WeakPolarHBondContact CA-O 3.28Å; V83-I99 HydrophobicContact CG1-CG1 4.32Å; V83-I99 HydrophobicContact CG2-CG1 4.36Å; V83-I99 HydrophobicContact CG2-CG2 4.5Å; V83-I120 HydrophobicContact CG1-CD1 3.52Å; V83-I120 HydrophobicContact CG2-CD1 4.36Å
84	L	98.3	Very high	97.6	Very high	13 Å²	13	34.7 Å²	34.7	7%	0.068	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.8	176	-47.3	179	0	0	0	109	L6 K8 I14 V19 L22 V82 V97 A98	L6-L84 HydrophobicContact CD2-CD2 3.58Å; K8-L84 HydrophobicContact CB-CD2 3.76Å; K8-L84 CarbonylContact O-C 3.55Å; K8-L84 WeakPolarHBondContact O-CA 3.18Å; I14-L84 HydrophobicContact CD1-CB 3.73Å; I14-L84 HydrophobicContact CG1-CB 4.19Å; I14-L84 HydrophobicContact CG2-CD1 3.88Å; V19-L84 HydrophobicContact CG2-CD1 3.82Å; L22-L84 HydrophobicContact CD1-CD1 4.43Å; V82-L84 HydrophobicContact CG1-CD1 4.39Å; V82-L84 HydrophobicContact CG1-CD2 3.96Å; V82-L84 HydrophobicContact CG1-CG 3.91Å; L84-V97 CarbonylContact O-C 3.56Å; L84-V97 WeakPolarHBondContact O-CA 3.32Å; L84-V97 WeakPolarHBondContact O-CG2 3.28Å; L84-A98 HydrophobicContact CB-CB 4.3Å; L84-A98 PolarHBondContact N-O 2.98Å; L84-A98 PolarHBondContact O-N 2.97Å
85	H	98.3	Very high	97.6	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.028	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147.7	174	-158.9	-64.9	0	0	0	110.1	K8 I9 S10 S96 I126	K8-H85 PolarHBondContact O-N 2.65Å; I9-H85 VanDerWaalsContact CA-O 3.22Å; I9-H85 WeakPolarHBondContact CA-O 3.31Å; I9-H85 HydrophobicContact CG1-CB 4.44Å; S10-H85 PolarHBondContact N-O 3.08Å; S10-H85 VanDerWaalsContact N-O 3.11Å; H85-S96 CarbonylContact C-O 3.56Å; H85-S96 WeakPolarHBondContact CA-O 3.35Å; H85-S96 PolarHBondContact ND1-O 3.42Å; H85-I126 HydrophobicContact CB-CD1 4.31Å
86	R	98.2	Very high	97.6	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.038	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.4	173.5	-65.7	-177.9	71	-165	-0	112.6	S10 I11 E12 I14 V90 E94 I95 S96	S10-R86 CarbonylContact O-C 3.59Å; S10-R86 WeakPolarHBondContact O-CA 3.46Å; I11-R86 PolarHBondContact O-NE 2.65Å; I11-R86 PolarHBondContact O-NH2 2.9Å; E12-R86 WeakPolarHBondContact O-CD 3.3Å; E12-R86 PolarHBondContact O-NE 3.07Å; I14-R86 HydrophobicContact CD1-CG 3.78Å; I14-R86 HydrophobicContact CG1-CG 3.97Å; R86-V90 HydrophobicContact CB-CG2 3.78Å; R86-E94 IonicContact CZ-OE2 2.66Å; R86-E94 IonicContact NH1-OE2 2.77Å; R86-E94 PolarHBondContact NH1-OE2 2.7Å; R86-E94 IonicContact NH2-OE2 3.01Å; R86-I95 WeakPolarHBondContact CD-O 3.41Å; R86-S96 PolarHBondContact N-O 2.85Å
87	Y	97.9	Very high	97.7	Very high	76 Å²	76	25.9 Å²	25.9	30%	0.298	16%	0.156	S	C	.	.			trans	-120.9	170.6	161.4	76	-79.7	0	0	0	109.9	I9 S10 I11 C55 L57	I9-Y87 HydrophobicContact CG2-CD1 3.91Å; S10-Y87 VanDerWaalsContact C-CD1 3.47Å; S10-Y87 PolarHBondContact O-N 3.32Å; I11-Y87 WeakPolarHBondContact CA-O 3.49Å; I11-Y87 HydrophobicContact CG2-CD1 4.15Å; I11-Y87 HydrophobicContact CG2-CD2 3.94Å; I11-Y87 HydrophobicContact CG2-CE1 3.82Å; I11-Y87 HydrophobicContact CG2-CE2 3.55Å; I11-Y87 HydrophobicContact CG2-CG 4.22Å; I11-Y87 VanDerWaalsContact CG2-CZ 3.49Å; C55-Y87 HydrophobicContact CB-CG 4.35Å; L57-Y87 HydrophobicContact CD1-CE1 4.35Å; L57-Y87 HydrophobicContact CD2-CD1 4.14Å; L57-Y87 HydrophobicContact CD2-CE1 4.05Å
88	G	98.1	Very high	97.9	Very high	19 Å²	19	23.8 Å²	23.8	20%	0.196	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.9	-152.5	-169.4	0	0	0	0	0	112.3	E52 Y53	E52-G88 WeakPolarHBondContact CA-O 3.39Å; Y53-G88 PolarHBondContact N-O 2.65Å; Y53-G88 PolarHBondContact O-N 2.74Å
89	I	98.2	Very high	97.9	Very high	82 Å²	82	23.5 Å²	23.5	42%	0.421	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.3	-173.7	-52.5	-63.5	0	0	0	111	A50 L51 E52 I131	A50-I89 HydrophobicContact CB-CG2 3.73Å; L51-I89 CarbonylContact O-C 3.6Å; L51-I89 WeakPolarHBondContact O-CA 3.44Å; E52-I89 HydrophobicContact CB-CD1 3.63Å; E52-I89 HydrophobicContact CG-CD1 3.62Å; I89-I131 HydrophobicContact CD1-CD1 3.65Å
90	V	98.5	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	101.4	174.5	-176	0	0	0	0	108.8	T39 A50 L51 Y53 R86 E94	T39-V90 WeakPolarHBondContact OG1-CG1 3.38Å; T39-V90 PolarHBondContact OG1-O 3.23Å; A50-V90 WeakPolarHBondContact CA-O 2.95Å; L51-V90 PolarHBondContact N-O 3.15Å; L51-V90 PolarHBondContact O-N 3.19Å; Y53-V90 HydrophobicContact CD2-CB 4.32Å; Y53-V90 HydrophobicContact CD2-CG2 3.77Å; Y53-V90 HydrophobicContact CE2-CB 4.16Å; Y53-V90 HydrophobicContact CE2-CG2 3.96Å; R86-V90 HydrophobicContact CB-CG2 3.78Å; V90-E94 HydrophobicContact CG1-CB 3.92Å
91	P	98.3	Very high	98.2	Very high	47 Å²	47	21.6 Å²	21.6	31%	0.305	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	158	176.7	-26.3	34.7	0	0	0	113.9	T39 G93 E94	T39-P91 WeakPolarHBondContact CB-O 3.34Å; P91-G93 PolarHBondContact O-N 2.49Å; P91-E94 HydrophobicContact CB-CG 4.34Å; P91-E94 WeakPolarHBondContact CD-OE2 3.41Å; P91-E94 WeakPolarHBondContact O-CB 3.37Å; P91-E94 PolarHBondContact O-N 2.84Å
92	V	98	Very high	98.2	Very high	52 Å²	52	21.6 Å²	21.6	32%	0.315	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	137.2	169.4	164.5	0	0	0	0	111.8	T39 K41 V48 Q49 E94	T39-V92 HydrophobicContact CG2-CB 4.49Å; T39-V92 HydrophobicContact CG2-CG2 3.96Å; K41-V92 HydrophobicContact CB-CG1 3.74Å; K41-V92 HydrophobicContact CB-CG2 4.35Å; K41-V92 HydrophobicContact CG-CG1 4.33Å; V48-V92 HydrophobicContact CG1-CG2 4.37Å; V48-V92 WeakPolarHBondContact O-CG2 3.34Å; Q49-V92 WeakPolarHBondContact O-CG2 3.31Å; Q49-V92 PolarHBondContact O-N 2.97Å; V92-E94 VanDerWaalsContact C-N 3.25Å; V92-E94 PolarHBondContact O-N 2.87Å
93	G	97	Very high	98.2	Very high	55 Å²	55	21.6 Å²	21.6	57%	0.567	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.8	-11.9	-179.4	0	0	0	0	0	114.2	I38 T39 P91	I38-G93 WeakPolarHBondContact CG2-O 3.28Å; T39-G93 PolarHBondContact O-N 2.92Å; P91-G93 PolarHBondContact O-N 2.49Å
94	E	98.1	Very high	98.1	Very high	69 Å²	69	23.9 Å²	23.9	32%	0.322	14%	0.143	S	C	.	.	S	Bend	trans	-90.6	155.6	178	-64.7	-170.8	-163.9	0	0	113.2	I38 T39 R86 V90 P91 V92	I38-E94 WeakPolarHBondContact CA-O 3.22Å; T39-E94 PolarHBondContact N-O 2.81Å; R86-E94 IonicContact CZ-OE2 2.66Å; R86-E94 IonicContact NH1-OE2 2.77Å; R86-E94 PolarHBondContact NH1-OE2 2.7Å; R86-E94 IonicContact NH2-OE2 3.01Å; V90-E94 HydrophobicContact CG1-CB 3.92Å; P91-E94 HydrophobicContact CB-CG 4.34Å; P91-E94 WeakPolarHBondContact CD-OE2 3.41Å; P91-E94 WeakPolarHBondContact O-CB 3.37Å; P91-E94 PolarHBondContact O-N 2.84Å; V92-E94 VanDerWaalsContact C-N 3.25Å; V92-E94 PolarHBondContact O-N 2.87Å
95	I	98.5	Very high	98.1	Very high	21 Å²	21	30.3 Å²	30.3	11%	0.108	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.1	177.9	-60.7	167.9	0	0	0	109	I14 F36 I38 R86 V97 A98	I14-I95 HydrophobicContact CB-CB 4.26Å; I14-I95 HydrophobicContact CB-CG2 4.1Å; I14-I95 HydrophobicContact CD1-CG2 4.09Å; I14-I95 HydrophobicContact CG2-CG2 4.25Å; F36-I95 HydrophobicContact CB-CG1 4.43Å; F36-I95 HydrophobicContact CD1-CD1 3.75Å; F36-I95 HydrophobicContact CD1-CG1 4.4Å; F36-I95 HydrophobicContact CD1-CG2 4.13Å; F36-I95 HydrophobicContact CE1-CD1 4.27Å; F36-I95 HydrophobicContact CG-CD1 4.31Å; I38-I95 HydrophobicContact CG1-CG1 4.25Å; R86-I95 WeakPolarHBondContact CD-O 3.41Å; I95-V97 WeakPolarHBondContact CG2-O 3.42Å; I95-A98 HydrophobicContact CG2-CB 4.2Å
96	S	98	Very high	98.1	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.028	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-30.8	172.3	56.2	0	0	0	0	112.7	G37 Y53 H85 R86	G37-S96 PolarHBondContact O-N 3.27Å; G37-S96 PolarHBondContact O-OG 3.47Å; Y53-S96 WeakPolarHBondContact OH-CB 3.22Å; Y53-S96 PolarHBondContact OH-OG 2.89Å; H85-S96 CarbonylContact C-O 3.56Å; H85-S96 WeakPolarHBondContact CA-O 3.35Å; H85-S96 PolarHBondContact ND1-O 3.42Å; R86-S96 PolarHBondContact N-O 2.85Å
97	V	98.5	Very high	98.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136.7	177.5	57.7	0	0	0	0	109.6	F35 F36 G37 L84 I95 I99 I117	F35-V97 HydrophobicContact CE1-CG1 4.1Å; F36-V97 CarbonylContact C-O 3.56Å; F36-V97 WeakPolarHBondContact CA-O 3.5Å; G37-V97 PolarHBondContact N-O 3.46Å; G37-V97 PolarHBondContact O-N 2.9Å; L84-V97 CarbonylContact O-C 3.56Å; L84-V97 WeakPolarHBondContact O-CA 3.32Å; L84-V97 WeakPolarHBondContact O-CG2 3.28Å; I95-V97 WeakPolarHBondContact CG2-O 3.42Å; V97-I99 HydrophobicContact CG2-CG1 4.36Å; V97-I117 HydrophobicContact CG1-CD1 4.19Å
98	A	98.7	Very high	98.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.7	172.5	0	0	0	0	0	109.4	I14 V19 F35 F36 V83 L84 I95	I14-A98 HydrophobicContact CD1-CB 4.42Å; I14-A98 HydrophobicContact CG2-CB 3.92Å; V19-A98 HydrophobicContact CG2-CB 4.05Å; F35-A98 CarbonylContact O-C 3.49Å; F35-A98 WeakPolarHBondContact O-CA 3.31Å; F36-A98 HydrophobicContact CD1-CB 3.63Å; F36-A98 HydrophobicContact CE1-CB 3.71Å; V83-A98 WeakPolarHBondContact CA-O 3.28Å; L84-A98 HydrophobicContact CB-CB 4.3Å; L84-A98 PolarHBondContact N-O 2.98Å; L84-A98 PolarHBondContact O-N 2.97Å; I95-A98 HydrophobicContact CG2-CB 4.2Å
99	I	98.7	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.3	173.1	-62	164.7	0	0	0	106.9	T34 F35 V82 V83 V97 V101 V113 L116 I117 I120	T34-I99 CarbonylContact C-O 3.57Å; T34-I99 WeakPolarHBondContact CA-O 3.27Å; F35-I99 HydrophobicContact CB-CB 4.44Å; F35-I99 HydrophobicContact CD1-CD1 4.49Å; F35-I99 PolarHBondContact N-O 2.95Å; F35-I99 PolarHBondContact O-N 3.36Å; V82-I99 CarbonylContact O-C 3.51Å; V82-I99 VanDerWaalsContact O-CA 3.31Å; V82-I99 WeakPolarHBondContact O-CA 3.4Å; V83-I99 HydrophobicContact CG1-CG1 4.32Å; V83-I99 HydrophobicContact CG2-CG1 4.36Å; V83-I99 HydrophobicContact CG2-CG2 4.5Å; V97-I99 HydrophobicContact CG2-CG1 4.36Å; I99-V101 HydrophobicContact CG2-CG2 4.24Å; I99-V113 HydrophobicContact CG2-CG2 4.34Å; I99-L116 HydrophobicContact CD1-CB 4.11Å; I99-L116 HydrophobicContact CG2-CB 4.08Å; I99-L116 HydrophobicContact CG2-CD1 3.69Å; I99-I117 HydrophobicContact CD1-CB 3.65Å; I99-I117 HydrophobicContact CD1-CD1 3.9Å; I99-I117 HydrophobicContact CD1-CG1 4.34Å; I99-I120 HydrophobicContact CD1-CD1 3.72Å; I99-I120 HydrophobicContact CG1-CD1 4.17Å
100	A	98.4	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.4	167.6	0	0	0	0	0	109.3	V19 I23 S33 T34 V81 V82	V19-A100 HydrophobicContact CG1-CB 3.62Å; I23-A100 HydrophobicContact CB-CB 4.38Å; I23-A100 HydrophobicContact CD1-CB 3.42Å; I23-A100 VanDerWaalsContact CD1-CB 3.42Å; I23-A100 WeakPolarHBondContact CD1-O 3.49Å; I23-A100 HydrophobicContact CG1-CB 4.49Å; I23-A100 HydrophobicContact CG2-CB 4.15Å; S33-A100 CarbonylContact O-C 3.37Å; S33-A100 WeakPolarHBondContact O-CA 3.49Å; T34-A100 HydrophobicContact CG2-CB 3.76Å; V81-A100 WeakPolarHBondContact CA-O 3.29Å; V82-A100 HydrophobicContact CB-CB 4.31Å; V82-A100 PolarHBondContact N-O 2.77Å; V82-A100 PolarHBondContact O-N 2.95Å
101	V	98.4	Very high	98.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.5	176.4	-177.7	0	0	0	0	109	I23 I32 S33 L78 V81 I99 S109 A112 V113 L116	I23-V101 VanDerWaalsContact CD1-N 3.3Å; I32-V101 WeakPolarHBondContact CA-O 3.14Å; S33-V101 PolarHBondContact N-O 2.96Å; S33-V101 PolarHBondContact O-N 3.38Å; L78-V101 HydrophobicContact CD1-CG1 3.99Å; L78-V101 HydrophobicContact CD2-CG1 3.45Å; L78-V101 VanDerWaalsContact CD2-CG1 3.45Å; L78-V101 HydrophobicContact CG-CG1 4.18Å; V81-V101 HydrophobicContact CG1-CG2 4.44Å; V81-V101 HydrophobicContact CG2-CG1 4.16Å; V81-V101 HydrophobicContact CG2-CG2 4.24Å; I99-V101 HydrophobicContact CG2-CG2 4.24Å; V101-S109 VanDerWaalsContact O-CB 3.28Å; V101-S109 WeakPolarHBondContact O-CB 3.44Å; V101-A112 HydrophobicContact CG1-CB 4Å; V101-A112 HydrophobicContact CG2-CB 4.31Å; V101-V113 HydrophobicContact CB-CG2 3.89Å; V101-V113 HydrophobicContact CG2-CG2 3.62Å; V101-L116 HydrophobicContact CG2-CD1 3.44Å; V101-L116 VanDerWaalsContact CG2-CD1 3.44Å
102	S	97.8	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	145.6	175.5	63.3	0	0	0	0	112.2	S31 V79 D80	S31-S102 CarbonylContact O-C 3.58Å; S31-S102 VanDerWaalsContact O-CA 3.29Å; S31-S102 WeakPolarHBondContact O-CA 3.48Å; V79-S102 PolarHBondContact N-O 2.9Å; D80-S102 PolarHBondContact N-OG 3.3Å; D80-S102 PolarHBondContact O-N 3.46Å; D80-S102 PolarHBondContact O-OG 3.38Å
103	S	97.2	Very high	98.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	162.5	178.5	61.5	0	0	0	0	111.1	G30 S31 H105 S109	G30-S103 PolarHBondContact N-O 3.49Å; S31-S103 PolarHBondContact N-O 3.18Å; S31-S103 PolarHBondContact O-N 3.07Å; S103-H105 PolarHBondContact O-N 3.01Å; S103-H105 PolarHBondContact OG-O 3.4Å; S103-S109 WeakPolarHBondContact OG-CB 3.14Å; S103-S109 PolarHBondContact OG-N 3.33Å; S103-S109 PolarHBondContact OG-OG 3.4Å
104	P	97.4	Very high	98.3	Very high	48 Å²	48	45.5 Å²	45.5	31%	0.312	21%	0.212	S	C	.	.	S	Bend	trans	-61.5	-32.2	174	-25.8	35.5	0	0	0	113.2	S28 G30 S77	S28-P104 WeakPolarHBondContact O-CA 3.4Å; G30-P104 VanDerWaalsContact CA-O 3.31Å; G30-P104 WeakPolarHBondContact CA-O 3.37Å; S77-P104 WeakPolarHBondContact O-CD 3.47Å
105	H	97.6	Very high	98.3	Very high	147 Å²	147	44.8 Å²	44.8	68%	0.681	21%	0.207	S	C	*	.	S	Bend	trans	-138.1	149.6	-178.5	-60.2	-47.9	0	0	0	112.1	S103 K107	S103-H105 PolarHBondContact O-N 3.01Å; S103-H105 PolarHBondContact OG-O 3.4Å; H105-K107 VanDerWaalsContact C-N 3.28Å; H105-K107 PolarHBondContact O-N 3.49Å; H105-K107 VanDerWaalsContact O-N 3.11Å
106	R	98.2	Very high	98.3	Very high	185 Å²	185	43.8 Å²	43.8	70%	0.698	20%	0.202	S	C	*	.	H	α-helix	trans	-53.5	-33.4	-171.1	67.2	-176.4	176.5	-84.1	-2.2	116.9	S31 D108 S109 L110	S31-R106 VanDerWaalsContact OG-CA 3.28Å; S31-R106 WeakPolarHBondContact OG-CA 3.21Å; R106-D108 PolarHBondContact O-N 3.16Å; R106-S109 PolarHBondContact O-OG 2.92Å; R106-L110 HydrophobicContact CB-CD1 4.18Å; R106-L110 WeakPolarHBondContact O-CB 3.18Å; R106-L110 WeakPolarHBondContact O-CD1 3.47Å; R106-L110 VanDerWaalsContact O-CG 3.26Å; R106-L110 WeakPolarHBondContact O-CG 3.31Å; R106-L110 PolarHBondContact O-N 2.87Å
107	K	98.5	Very high	98.3	Very high	121 Å²	121	44.3 Å²	44.3	53%	0.526	20%	0.204	S	C	.	.	H	α-helix	trans	-58.3	-52.3	-169.8	-172.4	-163.3	160.5	-60.1	0	111.1	H105 L110 D111	H105-K107 VanDerWaalsContact C-N 3.28Å; H105-K107 PolarHBondContact O-N 3.49Å; H105-K107 VanDerWaalsContact O-N 3.11Å; K107-L110 PolarHBondContact O-N 2.83Å; K107-D111 IonicContact NZ-OD2 2.73Å; K107-D111 PolarHBondContact NZ-OD2 3.18Å; K107-D111 WeakPolarHBondContact O-CB 3.33Å; K107-D111 VanDerWaalsContact O-CG 3.28Å; K107-D111 PolarHBondContact O-N 3.48Å
108	D	98.2	Very high	98.3	Very high	39 Å²	39	48.8 Å²	48.8	21%	0.209	23%	0.225	C	C	.	.	H	α-helix	trans	-74.6	-36.8	-170.3	-66.9	-10	0	0	0	112.1	W75 S77 L78 R106 A112	W75-D108 HydrophobicContact CB-CB 4.18Å; W75-D108 HydrophobicContact CG-CB 4.17Å; S77-D108 WeakPolarHBondContact OG-CB 3.42Å; S77-D108 PolarHBondContact OG-OD2 3.33Å; L78-D108 HydrophobicContact CD2-CB 4.14Å; R106-D108 PolarHBondContact O-N 3.16Å; D108-A112 WeakPolarHBondContact O-CB 3.2Å; D108-A112 PolarHBondContact O-N 2.76Å
109	S	98.3	Very high	98.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-40	173.4	43.3	0	0	0	0	112.6	S31 S33 V101 S103 R106 V113	S31-S109 PolarHBondContact OG-OG 3.47Å; S33-S109 PolarHBondContact OG-OG 2.7Å; V101-S109 VanDerWaalsContact O-CB 3.28Å; V101-S109 WeakPolarHBondContact O-CB 3.44Å; S103-S109 WeakPolarHBondContact OG-CB 3.14Å; S103-S109 PolarHBondContact OG-N 3.33Å; S103-S109 PolarHBondContact OG-OG 3.4Å; R106-S109 PolarHBondContact O-OG 2.92Å; S109-V113 WeakPolarHBondContact O-CG2 3.28Å; S109-V113 PolarHBondContact O-N 3.08Å
110	L	98.8	Very high	98.2	Very high	98 Å²	98	49.4 Å²	49.4	51%	0.513	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-47.7	176.3	-74.9	169.7	0	0	0	111.7	S33 R106 K107 K114	S33-L110 WeakPolarHBondContact OG-CD2 3.27Å; S33-L110 WeakPolarHBondContact OG-CG 3.2Å; S33-L110 PolarHBondContact OG-N 2.85Å; R106-L110 HydrophobicContact CB-CD1 4.18Å; R106-L110 WeakPolarHBondContact O-CB 3.18Å; R106-L110 WeakPolarHBondContact O-CD1 3.47Å; R106-L110 VanDerWaalsContact O-CG 3.26Å; R106-L110 WeakPolarHBondContact O-CG 3.31Å; R106-L110 PolarHBondContact O-N 2.87Å; K107-L110 PolarHBondContact O-N 2.83Å; L110-K114 PolarHBondContact O-N 3.19Å
111	D	98.8	Very high	98	Very high	66 Å²	66	50.9 Å²	50.9	35%	0.353	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-42.9	179	-70.1	-19.5	0	0	0	111.1	W75 K107 K114 Y115	W75-D111 HydrophobicContact CZ2-CB 3.74Å; K107-D111 IonicContact NZ-OD2 2.73Å; K107-D111 PolarHBondContact NZ-OD2 3.18Å; K107-D111 WeakPolarHBondContact O-CB 3.33Å; K107-D111 VanDerWaalsContact O-CG 3.28Å; K107-D111 PolarHBondContact O-N 3.48Å; D111-K114 PolarHBondContact O-N 3.33Å; D111-Y115 PolarHBondContact O-N 2.97Å; D111-Y115 VanDerWaalsContact O-N 3.08Å
112	A	98.7	Very high	97.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-41.8	-179.6	0	0	0	0	0	112.9	W75 L78 V101 D108 K114 Y115 L116	W75-A112 HydrophobicContact CD2-CB 4.14Å; W75-A112 HydrophobicContact CE3-CB 3.72Å; W75-A112 HydrophobicContact CZ3-CB 4.06Å; L78-A112 HydrophobicContact CD1-CB 3.76Å; L78-A112 HydrophobicContact CD2-CB 4.06Å; V101-A112 HydrophobicContact CG1-CB 4Å; V101-A112 HydrophobicContact CG2-CB 4.31Å; D108-A112 WeakPolarHBondContact O-CB 3.2Å; D108-A112 PolarHBondContact O-N 2.76Å; A112-K114 VanDerWaalsContact C-N 3.29Å; A112-K114 PolarHBondContact O-N 3.08Å; A112-Y115 PolarHBondContact O-N 3.24Å; A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 VanDerWaalsContact O-CG 3.27Å; A112-L116 WeakPolarHBondContact O-CG 3.32Å; A112-L116 PolarHBondContact O-N 3.02Å
113	V	98.8	Very high	97.5	Very high	13 Å²	13	56.3 Å²	56.3	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-56.6	-46.2	176.2	165.8	0	0	0	0	110.9	S33 F35 I99 V101 S109 L116 I117	S33-V113 VanDerWaalsContact O-CG2 3.3Å; S33-V113 WeakPolarHBondContact O-CG2 3.38Å; F35-V113 HydrophobicContact CB-CG1 3.58Å; I99-V113 HydrophobicContact CG2-CG2 4.34Å; V101-V113 HydrophobicContact CB-CG2 3.89Å; V101-V113 HydrophobicContact CG2-CG2 3.62Å; S109-V113 WeakPolarHBondContact O-CG2 3.28Å; S109-V113 PolarHBondContact O-N 3.08Å; V113-L116 PolarHBondContact O-N 3.08Å; V113-I117 WeakPolarHBondContact O-CG2 3.48Å; V113-I117 PolarHBondContact O-N 3.34Å
114	K	98.7	Very high	97.4	Very high	144 Å²	144	56.8 Å²	56.8	63%	0.626	26%	0.264	S	S	*	.	H	α-helix	trans	-59.9	-48.8	177	-175.9	-178.1	178.8	-178.3	0	110.9	L110 D111 A112 L116 I117 E118	L110-K114 PolarHBondContact O-N 3.19Å; D111-K114 PolarHBondContact O-N 3.33Å; A112-K114 VanDerWaalsContact C-N 3.29Å; A112-K114 PolarHBondContact O-N 3.08Å; K114-L116 VanDerWaalsContact C-N 3.32Å; K114-L116 PolarHBondContact O-N 2.86Å; K114-I117 VanDerWaalsContact O-CG2 3.27Å; K114-I117 WeakPolarHBondContact O-CG2 3.46Å; K114-I117 PolarHBondContact O-N 3.18Å; K114-E118 HydrophobicContact CG-CG 4.44Å; K114-E118 VanDerWaalsContact O-CG 3.24Å; K114-E118 WeakPolarHBondContact O-CG 3.27Å; K114-E118 PolarHBondContact O-N 3.37Å
115	Y	98.7	Very high	97.3	Very high	55 Å²	55	55.5 Å²	55.5	22%	0.216	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-43.7	178.2	167.8	-96.1	0	0	0	112.9	I67 N70 L74 W75 D111 A112 S119	I67-Y115 HydrophobicContact CG2-CE1 4.21Å; N70-Y115 PolarHBondContact ND2-OH 3.41Å; L74-Y115 HydrophobicContact CD1-CD1 4.47Å; L74-Y115 HydrophobicContact CD1-CD2 4.12Å; L74-Y115 HydrophobicContact CD1-CE1 4.28Å; L74-Y115 HydrophobicContact CD1-CE2 3.92Å; L74-Y115 HydrophobicContact CD1-CG 4.4Å; W75-Y115 VanDerWaalsContact CH2-CB 3.47Å; W75-Y115 HydrophobicContact CH2-CD1 4.27Å; W75-Y115 HydrophobicContact CH2-CD2 4.36Å; W75-Y115 AromaticContact CH2-CG 3.77Å; W75-Y115 HydrophobicContact CH2-CG 3.77Å; W75-Y115 AromaticContact CZ3-CD1 3.78Å; W75-Y115 HydrophobicContact CZ3-CD1 3.78Å; W75-Y115 AromaticContact CZ3-CG 3.77Å; W75-Y115 HydrophobicContact CZ3-CG 3.77Å; D111-Y115 PolarHBondContact O-N 2.97Å; D111-Y115 VanDerWaalsContact O-N 3.08Å; A112-Y115 PolarHBondContact O-N 3.24Å; Y115-S119 VanDerWaalsContact CE2-OG 3.31Å; Y115-S119 WeakPolarHBondContact CE2-OG 3.24Å; Y115-S119 VanDerWaalsContact O-CB 3.28Å; Y115-S119 WeakPolarHBondContact O-CB 3.44Å; Y115-S119 PolarHBondContact O-N 3.08Å; Y115-S119 PolarHBondContact O-OG 3.43Å
116	L	98.8	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-48.3	-178.8	-71.7	172.2	0	0	0	111.4	I67 I68 V81 I99 V101 A112 V113 K114 E118 S119 I120	I67-L116 HydrophobicContact CG2-CD2 3.7Å; I68-L116 HydrophobicContact CG1-CD2 4.17Å; V81-L116 HydrophobicContact CG1-CD1 3.7Å; I99-L116 HydrophobicContact CD1-CB 4.11Å; I99-L116 HydrophobicContact CG2-CB 4.08Å; I99-L116 HydrophobicContact CG2-CD1 3.69Å; V101-L116 HydrophobicContact CG2-CD1 3.44Å; V101-L116 VanDerWaalsContact CG2-CD1 3.44Å; A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 VanDerWaalsContact O-CG 3.27Å; A112-L116 WeakPolarHBondContact O-CG 3.32Å; A112-L116 PolarHBondContact O-N 3.02Å; V113-L116 PolarHBondContact O-N 3.08Å; K114-L116 VanDerWaalsContact C-N 3.32Å; K114-L116 PolarHBondContact O-N 2.86Å; L116-E118 PolarHBondContact O-N 3.39Å; L116-S119 PolarHBondContact O-N 3.4Å; L116-I120 VanDerWaalsContact O-CB 3.29Å; L116-I120 WeakPolarHBondContact O-CB 3.19Å; L116-I120 WeakPolarHBondContact O-CD1 3.29Å; L116-I120 VanDerWaalsContact O-CG1 3.22Å; L116-I120 WeakPolarHBondContact O-CG1 3.34Å; L116-I120 PolarHBondContact O-N 2.83Å
117	I	98.1	Very high	97.1	Very high	14 Å²	14	46.5 Å²	46.5	7%	0.072	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-43.6	-178.7	-173.5	58.3	0	0	0	111.9	F35 V97 I99 V113 K114 I120 K121	F35-I117 HydrophobicContact CD1-CB 4.27Å; F35-I117 HydrophobicContact CD1-CD1 3.76Å; F35-I117 HydrophobicContact CD1-CG1 3.84Å; F35-I117 HydrophobicContact CE1-CB 4.45Å; F35-I117 HydrophobicContact CE1-CD1 3.39Å; F35-I117 HydrophobicContact CE1-CG1 3.55Å; F35-I117 HydrophobicContact CE2-CG1 4.48Å; F35-I117 HydrophobicContact CG-CG1 4.44Å; F35-I117 HydrophobicContact CZ-CD1 4.16Å; F35-I117 HydrophobicContact CZ-CG1 3.9Å; V97-I117 HydrophobicContact CG1-CD1 4.19Å; I99-I117 HydrophobicContact CD1-CB 3.65Å; I99-I117 HydrophobicContact CD1-CD1 3.9Å; I99-I117 HydrophobicContact CD1-CG1 4.34Å; V113-I117 WeakPolarHBondContact O-CG2 3.48Å; V113-I117 PolarHBondContact O-N 3.34Å; K114-I117 VanDerWaalsContact O-CG2 3.27Å; K114-I117 WeakPolarHBondContact O-CG2 3.46Å; K114-I117 PolarHBondContact O-N 3.18Å; I117-I120 PolarHBondContact O-N 3.39Å; I117-K121 HydrophobicContact CD1-CG 4.17Å; I117-K121 HydrophobicContact CG1-CG 4.46Å; I117-K121 WeakPolarHBondContact O-CG 3.38Å; I117-K121 PolarHBondContact O-N 3.24Å
118	E	97.6	Very high	97	Very high	95 Å²	95	42.2 Å²	42.2	44%	0.444	20%	0.198	S	C	.	.	H	α-helix	trans	-62	-46.9	177.9	-65.5	-63.2	148.7	0	0	110.5	K114 L116 I120 K121 L122	K114-E118 HydrophobicContact CG-CG 4.44Å; K114-E118 VanDerWaalsContact O-CG 3.24Å; K114-E118 WeakPolarHBondContact O-CG 3.27Å; K114-E118 PolarHBondContact O-N 3.37Å; L116-E118 PolarHBondContact O-N 3.39Å; E118-I120 VanDerWaalsContact C-N 3.33Å; E118-I120 PolarHBondContact O-N 3.02Å; E118-K121 PolarHBondContact O-N 3.2Å; E118-L122 WeakPolarHBondContact O-CB 3.44Å; E118-L122 PolarHBondContact O-N 2.96Å
119	S	97.5	Very high	96.8	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.063	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-38.6	178.2	-57.9	0	0	0	0	112.2	Y115 L116 L122 Q123	Y115-S119 VanDerWaalsContact CE2-OG 3.31Å; Y115-S119 WeakPolarHBondContact CE2-OG 3.24Å; Y115-S119 VanDerWaalsContact O-CB 3.28Å; Y115-S119 WeakPolarHBondContact O-CB 3.44Å; Y115-S119 PolarHBondContact O-N 3.08Å; Y115-S119 PolarHBondContact O-OG 3.43Å; L116-S119 PolarHBondContact O-N 3.4Å; S119-L122 PolarHBondContact O-N 3.24Å; S119-Q123 WeakPolarHBondContact O-CB 3.3Å; S119-Q123 PolarHBondContact O-N 2.78Å
120	I	96.8	Very high	96.7	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-49.2	177.7	-78.3	161.2	0	0	0	111.1	I67 V83 I99 L116 I117 E118 L122 Q123 L124	I67-I120 HydrophobicContact CD1-CG1 4.43Å; V83-I120 HydrophobicContact CG1-CD1 3.52Å; V83-I120 HydrophobicContact CG2-CD1 4.36Å; I99-I120 HydrophobicContact CD1-CD1 3.72Å; I99-I120 HydrophobicContact CG1-CD1 4.17Å; L116-I120 VanDerWaalsContact O-CB 3.29Å; L116-I120 WeakPolarHBondContact O-CB 3.19Å; L116-I120 WeakPolarHBondContact O-CD1 3.29Å; L116-I120 VanDerWaalsContact O-CG1 3.22Å; L116-I120 WeakPolarHBondContact O-CG1 3.34Å; L116-I120 PolarHBondContact O-N 2.83Å; I117-I120 PolarHBondContact O-N 3.39Å; E118-I120 VanDerWaalsContact C-N 3.33Å; E118-I120 PolarHBondContact O-N 3.02Å; I120-L122 PolarHBondContact O-N 2.94Å; I120-Q123 PolarHBondContact O-N 3.22Å; I120-L124 HydrophobicContact CB-CD1 4.44Å; I120-L124 HydrophobicContact CG1-CD1 4.08Å; I120-L124 HydrophobicContact CG1-CD2 4.33Å; I120-L124 HydrophobicContact CG2-CD2 3.97Å; I120-L124 WeakPolarHBondContact O-CB 3.34Å; I120-L124 PolarHBondContact O-N 2.94Å
121	K	95	Very high	96.6	Very high	31 Å²	31	39.7 Å²	39.7	14%	0.135	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-31.1	178.7	-68.9	-60.2	-176.8	-162.2	0	112.6	I117 E118 N142 E144	I117-K121 HydrophobicContact CD1-CG 4.17Å; I117-K121 HydrophobicContact CG1-CG 4.46Å; I117-K121 WeakPolarHBondContact O-CG 3.38Å; I117-K121 PolarHBondContact O-N 3.24Å; E118-K121 PolarHBondContact O-N 3.2Å; K121-N142 WeakPolarHBondContact O-CB 3.28Å; K121-N142 PolarHBondContact O-ND2 3.03Å; K121-E144 HydrophobicContact CB-CB 4.23Å; K121-E144 VanDerWaalsContact CB-CD 3.43Å; K121-E144 HydrophobicContact CB-CG 3.74Å
122	L	93.4	Very high	96.5	Very high	37 Å²	37	37 Å²	37	19%	0.194	17%	0.168	C	C	.	.	H	α-helix	trans	-73.9	-47.7	179.5	-177	61.9	0	0	0	112.9	E118 S119 I120 E144 C145 F146 W147	E118-L122 WeakPolarHBondContact O-CB 3.44Å; E118-L122 PolarHBondContact O-N 2.96Å; S119-L122 PolarHBondContact O-N 3.24Å; I120-L122 PolarHBondContact O-N 2.94Å; L122-E144 HydrophobicContact CB-CB 4.1Å; L122-E144 VanDerWaalsContact CD1-C 3.43Å; L122-E144 HydrophobicContact CD1-CB 4.09Å; L122-E144 WeakPolarHBondContact CD1-O 3.28Å; L122-C145 PolarHBondContact O-SG 2.54Å; L122-F146 HydrophobicContact CD1-CD1 4.03Å; L122-F146 HydrophobicContact CD1-CE1 4.02Å; L122-W147 HydrophobicContact CD1-CE3 4.06Å; L122-W147 HydrophobicContact CD1-CH2 3.29Å; L122-W147 HydrophobicContact CD1-CZ2 4.21Å; L122-W147 HydrophobicContact CD1-CZ3 3.17Å; L122-W147 HydrophobicContact CD2-CH2 4.34Å; L122-W147 HydrophobicContact CD2-CZ3 4.1Å; L122-W147 HydrophobicContact CG-CH2 3.42Å; L122-W147 VanDerWaalsContact CG-CH2 3.42Å; L122-W147 HydrophobicContact CG-CZ3 3.57Å; L122-W147 WeakPolarHBondContact O-CH2 3.47Å; L122-W147 WeakPolarHBondContact O-CZ2 3.31Å
123	Q	92.6	Very high	96.2	Very high	77 Å²	77	42.8 Å²	42.8	36%	0.36	20%	0.195	S	C	.	.	H	α-helix	trans	-114.4	-25.3	-161.7	-59.4	175.5	17.7	0	0	114.7	I67 S119 I120 W147	I67-Q123 HydrophobicContact CD1-CB 4.15Å; S119-Q123 WeakPolarHBondContact O-CB 3.3Å; S119-Q123 PolarHBondContact O-N 2.78Å; I120-Q123 PolarHBondContact O-N 3.22Å; Q123-W147 HydrophobicContact CG-CH2 4.47Å
124	L	94.3	Very high	95.9	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.052	22%	0.221	C	C	.	.	S	Bend	trans	-70	130.8	-177.3	-97.4	62.9	0	0	0	110.1	E63 M64 I67 I120 I126	E63-L124 HydrophobicContact CB-CD1 4.05Å; M64-L124 HydrophobicContact CB-CD1 4.31Å; M64-L124 HydrophobicContact CB-CD2 4.42Å; M64-L124 HydrophobicContact CE-CD2 3.84Å; I67-L124 HydrophobicContact CD1-CD1 3.49Å; I67-L124 VanDerWaalsContact CD1-CD1 3.49Å; I120-L124 HydrophobicContact CB-CD1 4.44Å; I120-L124 HydrophobicContact CG1-CD1 4.08Å; I120-L124 HydrophobicContact CG1-CD2 4.33Å; I120-L124 HydrophobicContact CG2-CD2 3.97Å; I120-L124 WeakPolarHBondContact O-CB 3.34Å; I120-L124 PolarHBondContact O-N 2.94Å; L124-I126 HydrophobicContact CB-CD1 4.32Å; L124-I126 HydrophobicContact CB-CG1 4.23Å; L124-I126 HydrophobicContact CD2-CD1 3.92Å; L124-I126 PolarHBondContact O-N 2.92Å
125	P	95.1	Very high	95.5	Very high	22 Å²	22	44 Å²	44	14%	0.143	22%	0.223	C	C	.	.			trans	-75.2	65.2	175.1	33.4	-36.3	0	0	0	110.6	Y56 M59 A60 W127	Y56-P125 PolarHBondContact N-O 2.93Å; M59-P125 HydrophobicContact CB-CG 3.82Å; A60-P125 HydrophobicContact CB-CG 4.03Å; P125-W127 HydrophobicContact CB-CH2 3.6Å; P125-W127 HydrophobicContact CB-CZ2 4.03Å; P125-W127 HydrophobicContact CB-CZ3 4.2Å; P125-W127 VanDerWaalsContact O-CZ3 3.27Å; P125-W127 WeakPolarHBondContact O-CZ3 3.05Å
126	I	96.4	Very high	95.3	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.2	175.8	-57.3	179.9	0	0	0	107.8	Y53 E54 C55 A60 H85 L124	Y53-I126 HydrophobicContact CD1-CG2 3.76Å; Y53-I126 HydrophobicContact CG-CG2 4.5Å; E54-I126 CarbonylContact O-C 3.58Å; E54-I126 VanDerWaalsContact O-CA 3.31Å; E54-I126 WeakPolarHBondContact O-CA 3.05Å; C55-I126 HydrophobicContact CB-CG1 4.13Å; A60-I126 HydrophobicContact CB-CG1 4.36Å; H85-I126 HydrophobicContact CB-CD1 4.31Å; L124-I126 HydrophobicContact CB-CD1 4.32Å; L124-I126 HydrophobicContact CB-CG1 4.23Å; L124-I126 HydrophobicContact CD2-CD1 3.92Å; L124-I126 PolarHBondContact O-N 2.92Å
127	W	96.2	Very high	95.1	Very high	135 Å²	135	47.4 Å²	47.4	51%	0.511	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.9	-178	-56.8	-87.1	0	0	0	109.7	Y53 E54 P125 W139	Y53-W127 CarbonylContact C-O 3.59Å; Y53-W127 VanDerWaalsContact CA-O 3.27Å; Y53-W127 WeakPolarHBondContact CA-O 3.15Å; E54-W127 PolarHBondContact N-O 3.11Å; E54-W127 PolarHBondContact O-N 2.9Å; P125-W127 HydrophobicContact CB-CH2 3.6Å; P125-W127 HydrophobicContact CB-CZ2 4.03Å; P125-W127 HydrophobicContact CB-CZ3 4.2Å; P125-W127 VanDerWaalsContact O-CZ3 3.27Å; P125-W127 WeakPolarHBondContact O-CZ3 3.05Å; W127-W139 HydrophobicContact CB-CE3 4.22Å; W127-W139 HydrophobicContact CB-CH2 4.47Å; W127-W139 HydrophobicContact CB-CZ3 3.63Å
128	K	95.3	Very high	94.9	Very high	30 Å²	30	52.8 Å²	52.8	13%	0.13	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.9	-178.3	76.3	-165.8	176.9	-136.2	0	111.4	E52 Y53 K140 N142	E52-K128 CarbonylContact O-C 3.58Å; E52-K128 WeakPolarHBondContact O-CA 3.47Å; Y53-K128 HydrophobicContact CD1-CB 3.64Å; Y53-K128 HydrophobicContact CE1-CB 3.43Å; Y53-K128 VanDerWaalsContact CE1-CB 3.43Å; Y53-K128 HydrophobicContact CE1-CD 4.26Å; Y53-K128 HydrophobicContact CE1-CG 4.45Å; Y53-K128 HydrophobicContact CG-CB 4.43Å; K128-K140 HydrophobicContact CG-CB 4.08Å; K128-K140 PolarHBondContact O-N 3.37Å; K128-N142 PolarHBondContact NZ-OD1 3.38Å
129	K	95.3	Very high	94.6	Very high	32 Å²	32	54.2 Å²	54.2	14%	0.139	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.4	174	-172.2	175.2	67.6	-159.6	0	108.4	L51 E52 K138 W139	L51-K129 CarbonylContact C-O 3.53Å; L51-K129 WeakPolarHBondContact CA-O 3.49Å; E52-K129 HydrophobicContact CB-CB 4.39Å; E52-K129 PolarHBondContact N-O 3.21Å; E52-K129 PolarHBondContact O-N 2.66Å; E52-K129 WeakPolarHBondContact OE2-CE 3.21Å; E52-K129 IonicContact OE2-NZ 2.65Å; E52-K129 PolarHBondContact OE2-NZ 3.26Å; K129-K138 CarbonylContact C-O 3.5Å; K129-K138 WeakPolarHBondContact CA-O 3.32Å; K129-W139 HydrophobicContact CB-CD2 3.96Å; K129-W139 HydrophobicContact CB-CE3 3.79Å; K129-W139 HydrophobicContact CB-CH2 4.23Å; K129-W139 HydrophobicContact CB-CZ2 4.42Å; K129-W139 HydrophobicContact CB-CZ3 3.92Å; K129-W139 HydrophobicContact CD-CD2 4.2Å; K129-W139 HydrophobicContact CD-CZ2 4.09Å; K129-W139 HydrophobicContact CG-CD2 4.17Å; K129-W139 HydrophobicContact CG-CE3 4.49Å; K129-W139 HydrophobicContact CG-CG 4.4Å
130	E	96.5	Very high	94.2	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.047	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131.9	172.9	-73.7	173.9	170.2	0	0	109.4	V48 L51 Y132 S137 K138 K140	V48-E130 HydrophobicContact CG2-CB 4.5Å; V48-E130 HydrophobicContact CG2-CG 4.37Å; L51-E130 HydrophobicContact CD2-CB 4.26Å; L51-E130 HydrophobicContact CD2-CG 3.44Å; L51-E130 VanDerWaalsContact CD2-CG 3.44Å; E130-Y132 HydrophobicContact CB-CE1 3.84Å; E130-Y132 HydrophobicContact CB-CE2 4.36Å; E130-Y132 PolarHBondContact OE2-OH 3.34Å; E130-S137 CarbonylContact O-C 3.55Å; E130-S137 WeakPolarHBondContact O-CA 3.35Å; E130-S137 WeakPolarHBondContact O-CB 3.5Å; E130-K138 PolarHBondContact N-O 3.34Å; E130-K138 PolarHBondContact O-N 3.21Å; E130-K140 HydrophobicContact CG-CD 4.35Å; E130-K140 WeakPolarHBondContact OE1-CD 3.36Å; E130-K140 WeakPolarHBondContact OE1-CE 3.4Å; E130-K140 IonicContact OE1-NZ 3.66Å; E130-K140 PolarHBondContact OE1-NZ 3.05Å
131	I	96.7	Very high	93.5	Very high	42 Å²	42	63.7 Å²	63.7	22%	0.215	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.5	171.2	-57.9	174.7	0	0	0	107.2	Q49 A50 E52 I89	Q49-I131 PolarHBondContact N-O 3.01Å; A50-I131 PolarHBondContact N-O 3.33Å; A50-I131 PolarHBondContact O-N 3.44Å; E52-I131 HydrophobicContact CB-CD1 4Å; E52-I131 HydrophobicContact CB-CG1 4.47Å; I89-I131 HydrophobicContact CD1-CD1 3.65Å
132	Y	96.1	Very high	92.9	Very high	11 Å²	11	63.1 Å²	63.1	4%	0.043	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	162.7	-176.7	-55.6	-64.8	0	0	0	111.8	R46 I47 V48 E130 D134 G135 T136 K138	R46-Y132 HydrophobicContact CB-CD1 3.64Å; R46-Y132 HydrophobicContact CB-CE1 3.61Å; R46-Y132 HydrophobicContact CB-CG 4.44Å; R46-Y132 HydrophobicContact CG-CD1 4.39Å; R46-Y132 HydrophobicContact CG-CE1 4.25Å; I47-Y132 WeakPolarHBondContact O-CA 3.26Å; V48-Y132 HydrophobicContact CG2-CD1 4.03Å; V48-Y132 HydrophobicContact CG2-CE1 3.87Å; E130-Y132 HydrophobicContact CB-CE1 3.84Å; E130-Y132 HydrophobicContact CB-CE2 4.36Å; E130-Y132 PolarHBondContact OE2-OH 3.34Å; Y132-D134 WeakPolarHBondContact CB-OD1 3.4Å; Y132-D134 PolarHBondContact O-N 3.03Å; Y132-G135 PolarHBondContact O-N 3.33Å; Y132-G135 VanDerWaalsContact O-N 3.08Å; Y132-T136 WeakPolarHBondContact CD2-O 3.29Å; Y132-T136 WeakPolarHBondContact CD2-OG1 3.06Å; Y132-T136 PolarHBondContact N-O 3.46Å; Y132-K138 HydrophobicContact CE2-CB 3.78Å
133	E	93.1	Very high	92.3	Very high	121 Å²	121	68.6 Å²	68.6	57%	0.565	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.1	180	-174.4	170.9	-112.8	0	0	113.9	I47 Q49 G135	I47-E133 HydrophobicContact CB-CB 4.38Å; I47-E133 HydrophobicContact CG2-CB 4.3Å; I47-E133 PolarHBondContact O-N 2.86Å; I47-E133 VanDerWaalsContact O-N 3.07Å; Q49-E133 HydrophobicContact CG-CB 3.96Å; Q49-E133 HydrophobicContact CG-CG 4.49Å; Q49-E133 PolarHBondContact NE2-OE1 2.92Å; Q49-E133 VanDerWaalsContact NE2-OE1 3.08Å; E133-G135 PolarHBondContact O-N 3.22Å
134	D	92.1	Very high	91.8	Very high	116 Å²	116	67.1 Å²	67.1	62%	0.62	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	1.8	175.8	68.8	0.1	0	0	0	113.8	Y132 T136	Y132-D134 WeakPolarHBondContact CB-OD1 3.4Å; Y132-D134 PolarHBondContact O-N 3.03Å; D134-T136 VanDerWaalsContact C-N 3.27Å; D134-T136 PolarHBondContact O-N 2.89Å; D134-T136 VanDerWaalsContact OD1-CB 3.29Å; D134-T136 WeakPolarHBondContact OD1-CB 3.1Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.48Å; D134-T136 PolarHBondContact OD1-N 2.92Å; D134-T136 PolarHBondContact OD1-OG1 3.01Å; D134-T136 PolarHBondContact OD2-OG1 2.87Å
135	G	90.6	Very high	90.9	Very high	66 Å²	66	67.7 Å²	67.7	68%	0.68	34%	0.336	S	S	*	.	S	Bend	trans	82	-3.9	-177.9	0	0	0	0	0	114.4	Y132 E133	Y132-G135 PolarHBondContact O-N 3.33Å; Y132-G135 VanDerWaalsContact O-N 3.08Å; E133-G135 PolarHBondContact O-N 3.22Å
136	T	94.4	Very high	89.6	Confident	62 Å²	62	74.3 Å²	74.3	38%	0.38	36%	0.363	S	S	.	.			trans	-76.5	162.7	173.1	70.9	0	0	0	0	111	Y132 D134	Y132-T136 WeakPolarHBondContact CD2-O 3.29Å; Y132-T136 WeakPolarHBondContact CD2-OG1 3.06Å; Y132-T136 PolarHBondContact N-O 3.46Å; D134-T136 VanDerWaalsContact C-N 3.27Å; D134-T136 PolarHBondContact O-N 2.89Å; D134-T136 VanDerWaalsContact OD1-CB 3.29Å; D134-T136 WeakPolarHBondContact OD1-CB 3.1Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.48Å; D134-T136 PolarHBondContact OD1-N 2.92Å; D134-T136 PolarHBondContact OD1-OG1 3.01Å; D134-T136 PolarHBondContact OD2-OG1 2.87Å
137	S	93.6	Very high	88	Confident	65 Å²	65	79.9 Å²	79.9	46%	0.455	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	155.9	176.4	65.9	0	0	0	0	112.3	E130	E130-S137 CarbonylContact O-C 3.55Å; E130-S137 WeakPolarHBondContact O-CA 3.35Å; E130-S137 WeakPolarHBondContact O-CB 3.5Å
138	K	94	Very high	86.1	Confident	127 Å²	127	78.1 Å²	78.1	55%	0.552	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144	129.3	180	-175.4	179.6	177.8	-177.9	0	111.2	K129 E130 Y132	K129-K138 CarbonylContact C-O 3.5Å; K129-K138 WeakPolarHBondContact CA-O 3.32Å; E130-K138 PolarHBondContact N-O 3.34Å; E130-K138 PolarHBondContact O-N 3.21Å; Y132-K138 HydrophobicContact CE2-CB 3.78Å
139	W	92.7	Very high	84.3	Confident	124 Å²	124	84.6 Å²	84.6	47%	0.47	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134.2	171.2	-75.8	105.4	0	0	0	110.9	E54 W127 K129	E54-W139 HydrophobicContact CB-CH2 4.14Å; E54-W139 VanDerWaalsContact CD-CH2 3.41Å; E54-W139 HydrophobicContact CG-CH2 3.84Å; E54-W139 VanDerWaalsContact OE1-CH2 3.3Å; E54-W139 WeakPolarHBondContact OE1-CH2 3.47Å; E54-W139 VanDerWaalsContact OE1-CZ2 3.31Å; E54-W139 WeakPolarHBondContact OE1-CZ2 3.32Å; W127-W139 HydrophobicContact CB-CE3 4.22Å; W127-W139 HydrophobicContact CB-CH2 4.47Å; W127-W139 HydrophobicContact CB-CZ3 3.63Å; K129-W139 HydrophobicContact CB-CD2 3.96Å; K129-W139 HydrophobicContact CB-CE3 3.79Å; K129-W139 HydrophobicContact CB-CH2 4.23Å; K129-W139 HydrophobicContact CB-CZ2 4.42Å; K129-W139 HydrophobicContact CB-CZ3 3.92Å; K129-W139 HydrophobicContact CD-CD2 4.2Å; K129-W139 HydrophobicContact CD-CZ2 4.09Å; K129-W139 HydrophobicContact CG-CD2 4.17Å; K129-W139 HydrophobicContact CG-CE3 4.49Å; K129-W139 HydrophobicContact CG-CG 4.4Å
140	K	87.8	Confident	82.4	Confident	58 Å²	58	91.1 Å²	91.1	25%	0.252	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.4	-179.7	-175.2	164.4	-178.5	163.1	0	110.9	D43 K128 E130	D43-K140 IonicContact OD1-NZ 2.7Å; D43-K140 PolarHBondContact OD1-NZ 2.8Å; D43-K140 IonicContact OD2-NZ 2.7Å; D43-K140 PolarHBondContact OD2-NZ 2.63Å; K128-K140 HydrophobicContact CG-CB 4.08Å; K128-K140 PolarHBondContact O-N 3.37Å; E130-K140 HydrophobicContact CG-CD 4.35Å; E130-K140 WeakPolarHBondContact OE1-CD 3.36Å; E130-K140 WeakPolarHBondContact OE1-CE 3.4Å; E130-K140 IonicContact OE1-NZ 3.66Å; E130-K140 PolarHBondContact OE1-NZ 3.05Å
141	R	83	Confident	80.4	Confident	154 Å²	154	100 Å²	100	58%	0.581	49%	0.487	S	S	*	.			trans	-64.5	147.5	175.1	-162.1	-174.1	-69.1	161.4	-2.4	110.6
142	N	81.1	Confident	77.7	Confident	18 Å²	18	111 Å²	111	10%	0.096	53%	0.534	C	S	.	.			trans	-79.6	122.3	161.4	-69.2	-16.6	0	0	0	107.7	K121 K128 E144 C145	K121-N142 WeakPolarHBondContact O-CB 3.28Å; K121-N142 PolarHBondContact O-ND2 3.03Å; K128-N142 PolarHBondContact NZ-OD1 3.38Å; N142-E144 VanDerWaalsContact C-OE2 3.29Å; N142-E144 WeakPolarHBondContact CA-OE2 3.45Å; N142-E144 WeakPolarHBondContact CB-OE2 3.46Å; N142-E144 PolarHBondContact O-N 2.96Å; N142-E144 VanDerWaalsContact O-N 3.15Å; N142-C145 PolarHBondContact O-N 3.11Å
143	I	81.7	Confident	76.8	Confident	152 Å²	152	116 Å²	116	78%	0.779	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-20.4	-175.2	58.2	172.2	0	0	0	111.9	C145	I143-C145 VanDerWaalsContact C-N 3.32Å; I143-C145 PolarHBondContact O-N 3.04Å
144	E	82.2	Confident	75.9	Confident	46 Å²	46	115.7 Å²	115.7	22%	0.215	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-69.1	-29.2	-179.8	-58.6	80.4	-179.7	0	0	111.3	K121 L122 N142 F146	K121-E144 HydrophobicContact CB-CB 4.23Å; K121-E144 VanDerWaalsContact CB-CD 3.43Å; K121-E144 HydrophobicContact CB-CG 3.74Å; L122-E144 HydrophobicContact CB-CB 4.1Å; L122-E144 VanDerWaalsContact CD1-C 3.43Å; L122-E144 HydrophobicContact CD1-CB 4.09Å; L122-E144 WeakPolarHBondContact CD1-O 3.28Å; N142-E144 VanDerWaalsContact C-OE2 3.29Å; N142-E144 WeakPolarHBondContact CA-OE2 3.45Å; N142-E144 WeakPolarHBondContact CB-OE2 3.46Å; N142-E144 PolarHBondContact O-N 2.96Å; N142-E144 VanDerWaalsContact O-N 3.15Å; E144-F146 WeakPolarHBondContact O-CD1 3.41Å; E144-F146 PolarHBondContact O-N 3.41Å
145	C	75	Confident	75	Confident	22 Å²	22	115.7 Å²	115.7	15%	0.149	55%	0.554	C	S	.	*			trans	-72.4	64.1	-178.2	-58.1	0	0	0	0	113.2	L122 N142 I143 W147 L148	L122-C145 PolarHBondContact O-SG 2.54Å; N142-C145 PolarHBondContact O-N 3.11Å; I143-C145 VanDerWaalsContact C-N 3.32Å; I143-C145 PolarHBondContact O-N 3.04Å; C145-W147 HydrophobicContact CB-CZ2 4.47Å; C145-W147 PolarHBondContact O-N 2.73Å; C145-L148 HydrophobicContact CB-CD1 4.01Å; C145-L148 PolarHBondContact O-N 2.84Å
146	F	67.8	Low	74.1	Confident	161 Å²	161	118.6 Å²	118.6	71%	0.706	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.8	-173.5	65.4	-95.5	0	0	0	114.8	L122 E144 L148	L122-F146 HydrophobicContact CD1-CD1 4.03Å; L122-F146 HydrophobicContact CD1-CE1 4.02Å; E144-F146 WeakPolarHBondContact O-CD1 3.41Å; E144-F146 PolarHBondContact O-N 3.41Å; F146-L148 VanDerWaalsContact C-N 3.34Å
147	W	63	Low	72.9	Confident	125 Å²	125	122.2 Å²	122.2	47%	0.473	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	-12.2	179.7	54.7	75.6	0	0	0	113.9	L122 Q123 C145 Q149	L122-W147 HydrophobicContact CD1-CE3 4.06Å; L122-W147 HydrophobicContact CD1-CH2 3.29Å; L122-W147 HydrophobicContact CD1-CZ2 4.21Å; L122-W147 HydrophobicContact CD1-CZ3 3.17Å; L122-W147 HydrophobicContact CD2-CH2 4.34Å; L122-W147 HydrophobicContact CD2-CZ3 4.1Å; L122-W147 HydrophobicContact CG-CH2 3.42Å; L122-W147 VanDerWaalsContact CG-CH2 3.42Å; L122-W147 HydrophobicContact CG-CZ3 3.57Å; L122-W147 WeakPolarHBondContact O-CH2 3.47Å; L122-W147 WeakPolarHBondContact O-CZ2 3.31Å; Q123-W147 HydrophobicContact CG-CH2 4.47Å; C145-W147 HydrophobicContact CB-CZ2 4.47Å; C145-W147 PolarHBondContact O-N 2.73Å; W147-Q149 PolarHBondContact O-N 3.22Å
148	L	57.3	Low	71.5	Confident	98 Å²	98	126 Å²	126	51%	0.513	56%	0.564	S	S	.	*	S	Bend	trans	-73.1	82	165.4	-70.6	169.1	0	0	0	106.6	C145 F146 E150	C145-L148 HydrophobicContact CB-CD1 4.01Å; C145-L148 PolarHBondContact O-N 2.84Å; F146-L148 VanDerWaalsContact C-N 3.34Å; L148-E150 PolarHBondContact O-N 3.19Å
149	Q	57.3	Low	69.9	Low	167 Å²	167	125.9 Å²	125.9	78%	0.78	57%	0.565	S	S	*	*			trans	-50.1	137.8	171.7	-64.5	177.5	8.7	0	0	108	W147 E151	W147-Q149 PolarHBondContact O-N 3.22Å; Q149-E151 PolarHBondContact O-N 3.26Å
150	E	54.3	Low	68.1	Low	168 Å²	168	126.1 Å²	126.1	79%	0.785	57%	0.572	S	S	*	*			trans	-53.7	110.1	170.1	-69.7	179.3	163.3	0	0	107.3	L148 K152	L148-E150 PolarHBondContact O-N 3.19Å; E150-K152 VanDerWaalsContact C-N 3.34Å; E150-K152 PolarHBondContact O-N 3.39Å
151	E	54	Low	66.5	Low	197 Å²	197	131.8 Å²	131.8	92%	0.921	60%	0.599	S	S	*	*			trans	-54.5	107.4	162.5	-72.6	-179.6	161.9	0	0	105.7	Q149	Q149-E151 PolarHBondContact O-N 3.26Å
152	K	41.1	Very low	65	Low	273 Å²	273	129.7 Å²	129.7	100%	1.187	60%	0.6	S	S	*	*			trans	-67.6	0	171.3	-84.6	-174.3	174.5	-179.3	0	110.6	E150	E150-K152 VanDerWaalsContact C-N 3.34Å; E150-K152 PolarHBondContact O-N 3.39Å

Retrieved 152 of 152 residues in 172 ms (Link to these results)

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