A0A087Y9S0_POEFO Loading...

Large ribosomal subunit protein eL30

AlphaFold DB (A0A3B4XNH0), UniProt , Accession A0A087Y9S0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 116 aa.

						>A0A087Y9S0_POEFO|A0A087Y9S0
MVAAKKTKKSMESINSRLQLVMKSGKYVLGYKQSQKMIRQGKAKLVILANNCPALRKSEIEYYAMLAKTGVHHYSGNNIELGTACGKYYRVCTLAIIDPGDSDIIRSMPDQQQQPQ
					

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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	53.8	Low	62.1	Low	226 Å²	226	123 Å²	123	100%	1.113	65%	0.654	S	S	*	*				0	4	0	-77.7	178.1	-178.1	0	0	115.5
2	V	54.5	Low	63.1	Low	127 Å²	127	123.2 Å²	123.2	77%	0.77	65%	0.648	S	S	*	*	H	α-helix	trans	-76.6	-35.2	-177.5	-178.6	0	0	0	0	113.4	K5 K6	V2-K5 PolarHBondContact O-N 3.29Å; V2-K6 PolarHBondContact O-N 3.31Å
3	A	57.4	Low	64.7	Low	78 Å²	78	117.4 Å²	117.4	65%	0.645	62%	0.624	S	S	*	*	H	α-helix	trans	-64	-45.4	-178.6	0	0	0	0	0	113.2	K5 K6 T7	A3-K5 VanDerWaalsContact C-N 3.31Å; A3-K5 PolarHBondContact O-N 3.44Å; A3-K6 PolarHBondContact O-N 3.21Å; A3-T7 PolarHBondContact O-N 3.03Å; A3-T7 PolarHBondContact O-OG1 3.25Å
4	A	58.3	Low	66.3	Low	75 Å²	75	109.9 Å²	109.9	62%	0.62	58%	0.584	S	S	*	*	H	α-helix	trans	-62.5	-36	179.1	0	0	0	0	0	112.9	K6 K8	A4-K6 VanDerWaalsContact C-N 3.34Å; A4-K6 PolarHBondContact O-N 3.17Å; A4-K8 PolarHBondContact O-N 3.29Å; A4-K8 VanDerWaalsContact O-N 3.17Å
5	K	60.2	Low	67.9	Low	172 Å²	172	105.1 Å²	105.1	75%	0.748	56%	0.559	S	S	*	*	H	α-helix	trans	-67.9	-34.1	177.6	-161.8	176.3	-176.5	179.8	0	111.9	V2 A3 K9	V2-K5 PolarHBondContact O-N 3.29Å; A3-K5 VanDerWaalsContact C-N 3.31Å; A3-K5 PolarHBondContact O-N 3.44Å; K5-K9 PolarHBondContact O-N 2.86Å
6	K	61.4	Low	69.3	Low	167 Å²	167	103 Å²	103	73%	0.726	56%	0.555	S	S	*	*	H	α-helix	trans	-70.5	-42.4	177.7	-162.7	177	-178	-177.7	0	111.8	V2 A3 A4 K9 S10	V2-K6 PolarHBondContact O-N 3.31Å; A3-K6 PolarHBondContact O-N 3.21Å; A4-K6 VanDerWaalsContact C-N 3.34Å; A4-K6 PolarHBondContact O-N 3.17Å; K6-K9 PolarHBondContact O-N 3.28Å; K6-S10 PolarHBondContact O-N 3.33Å; K6-S10 VanDerWaalsContact O-N 3.1Å
7	T	62.8	Low	70.6	Confident	74 Å²	74	100.4 Å²	100.4	45%	0.454	54%	0.535	S	S	.	.	H	α-helix	trans	-63.3	-43.2	176.5	-50.5	0	0	0	0	111.8	A3 K9 S10 M11	A3-T7 PolarHBondContact O-N 3.03Å; A3-T7 PolarHBondContact O-OG1 3.25Å; T7-K9 PolarHBondContact O-N 3.11Å; T7-S10 WeakPolarHBondContact O-CB 3.25Å; T7-S10 PolarHBondContact O-N 3.06Å; T7-M11 PolarHBondContact O-N 2.96Å
8	K	64.1	Low	71.7	Confident	151 Å²	151	94.8 Å²	94.8	66%	0.657	51%	0.505	S	S	*	.	H	α-helix	trans	-63	-42.2	178.1	-169.5	172.7	179.7	177.8	0	112.6	A4 S10 M11 E12	A4-K8 PolarHBondContact O-N 3.29Å; A4-K8 VanDerWaalsContact O-N 3.17Å; K8-S10 PolarHBondContact O-N 2.89Å; K8-M11 WeakPolarHBondContact O-CB 3.49Å; K8-M11 PolarHBondContact O-N 3.05Å; K8-E12 PolarHBondContact O-N 3.34Å
9	K	67.3	Low	72.8	Confident	161 Å²	161	95.6 Å²	95.6	70%	0.7	51%	0.506	S	S	*	.	H	α-helix	trans	-64.9	-37.4	176.4	-167.4	176.8	-177.6	178.7	0	112.5	K5 K6 T7 S13	K5-K9 PolarHBondContact O-N 2.86Å; K6-K9 PolarHBondContact O-N 3.28Å; T7-K9 PolarHBondContact O-N 3.11Å; K9-S13 PolarHBondContact O-N 3.32Å; K9-S13 VanDerWaalsContact O-N 3.16Å
10	S	72.4	Confident	73.9	Confident	76 Å²	76	94.3 Å²	94.3	53%	0.531	50%	0.498	S	S	.	.	H	α-helix	trans	-64.3	-43.2	174.1	-174.4	0	0	0	0	111.9	K6 T7 K8 E12 S13 I14	K6-S10 PolarHBondContact O-N 3.33Å; K6-S10 VanDerWaalsContact O-N 3.1Å; T7-S10 WeakPolarHBondContact O-CB 3.25Å; T7-S10 PolarHBondContact O-N 3.06Å; K8-S10 PolarHBondContact O-N 2.89Å; S10-E12 PolarHBondContact O-N 2.87Å; S10-S13 WeakPolarHBondContact O-CB 3.49Å; S10-S13 PolarHBondContact O-N 3.29Å; S10-I14 PolarHBondContact O-N 3.3Å
11	M	70.4	Confident	74.8	Confident	46 Å²	46	89.8 Å²	89.8	23%	0.227	48%	0.475	C	S	.	.	H	α-helix	trans	-62.9	-41.5	177.7	-171.5	-174.3	-175.6	0	0	112.4	T7 K8 S13 I14 N15 Y74 E80	T7-M11 PolarHBondContact O-N 2.96Å; K8-M11 WeakPolarHBondContact O-CB 3.49Å; K8-M11 PolarHBondContact O-N 3.05Å; M11-S13 VanDerWaalsContact C-N 3.31Å; M11-S13 PolarHBondContact O-N 3.05Å; M11-I14 VanDerWaalsContact O-CG2 3.25Å; M11-I14 WeakPolarHBondContact O-CG2 3.36Å; M11-I14 PolarHBondContact O-N 3.38Å; M11-N15 VanDerWaalsContact O-CG 3.24Å; M11-N15 PolarHBondContact O-N 3.05Å; M11-N15 PolarHBondContact O-ND2 3.06Å; M11-Y74 HydrophobicContact CE-CE1 4.28Å; M11-Y74 WeakPolarHBondContact CE-OH 3.48Å; M11-Y74 HydrophobicContact CG-CE2 4.41Å; M11-E80 WeakPolarHBondContact CE-OE2 3.47Å
12	E	74.8	Confident	76.8	Confident	125 Å²	125	80.5 Å²	80.5	58%	0.584	43%	0.429	S	S	*	.	H	α-helix	trans	-66.3	-36.5	178.1	-155.8	161.2	-147.7	0	0	111.6	K8 S10 S16	K8-E12 PolarHBondContact O-N 3.34Å; S10-E12 PolarHBondContact O-N 2.87Å; E12-S16 PolarHBondContact O-N 3.23Å; E12-S16 PolarHBondContact O-OG 3.46Å
13	S	83.3	Confident	78.6	Confident	48 Å²	48	83.2 Å²	83.2	34%	0.336	43%	0.431	S	S	.	.	H	α-helix	trans	-63.6	-45.2	173.5	-172.8	0	0	0	0	112.4	K9 S10 M11 S16 R17	K9-S13 PolarHBondContact O-N 3.32Å; K9-S13 VanDerWaalsContact O-N 3.16Å; S10-S13 WeakPolarHBondContact O-CB 3.49Å; S10-S13 PolarHBondContact O-N 3.29Å; M11-S13 VanDerWaalsContact C-N 3.31Å; M11-S13 PolarHBondContact O-N 3.05Å; S13-S16 PolarHBondContact O-N 3.29Å; S13-R17 WeakPolarHBondContact O-CG 3.3Å; S13-R17 PolarHBondContact O-N 3.1Å
14	I	87.1	Confident	80.4	Confident	13 Å²	13	81.9 Å²	81.9	7%	0.067	42%	0.417	C	S	.	.	H	α-helix	trans	-71	-33.3	-179.4	-162.9	165.1	0	0	0	112.5	S10 M11 S16 R17 L18 H72 Y74 I104	S10-I14 PolarHBondContact O-N 3.3Å; M11-I14 VanDerWaalsContact O-CG2 3.25Å; M11-I14 WeakPolarHBondContact O-CG2 3.36Å; M11-I14 PolarHBondContact O-N 3.38Å; I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 3.45Å; I14-R17 PolarHBondContact O-N 2.99Å; I14-L18 HydrophobicContact CG1-CD1 4.33Å; I14-L18 WeakPolarHBondContact O-CB 3.19Å; I14-L18 WeakPolarHBondContact O-CG 3.22Å; I14-L18 PolarHBondContact O-N 3.46Å; I14-H72 WeakPolarHBondContact CD1-CD2 3.46Å; I14-H72 WeakPolarHBondContact CD1-NE2 3.19Å; I14-Y74 HydrophobicContact CG2-CD2 4.06Å; I14-Y74 HydrophobicContact CG2-CE2 3.85Å; I14-I104 HydrophobicContact CG1-CD1 4.3Å
15	N	90.6	Very high	82.1	Confident	38 Å²	38	79 Å²	79	20%	0.203	39%	0.394	C	S	.	.	H	α-helix	trans	-63.5	-41	176.4	-72.9	-12.6	0	0	0	111.7	M11 R17 L18 Q19 Y74 A84	M11-N15 VanDerWaalsContact O-CG 3.24Å; M11-N15 PolarHBondContact O-N 3.05Å; M11-N15 PolarHBondContact O-ND2 3.06Å; N15-R17 VanDerWaalsContact C-N 3.33Å; N15-R17 PolarHBondContact O-N 2.92Å; N15-L18 WeakPolarHBondContact O-CB 3.24Å; N15-L18 PolarHBondContact O-N 3.23Å; N15-Q19 WeakPolarHBondContact O-CG 3.28Å; N15-Q19 PolarHBondContact O-N 2.98Å; N15-Y74 PolarHBondContact ND2-OH 3.26Å; N15-Y74 VanDerWaalsContact OD1-CE2 3.26Å; N15-Y74 WeakPolarHBondContact OD1-CE2 3.44Å; N15-Y74 PolarHBondContact OD1-OH 2.82Å; N15-A84 HydrophobicContact CB-CB 4.49Å; N15-A84 WeakPolarHBondContact OD1-CB 3.21Å
16	S	90.4	Very high	83.8	Confident	71 Å²	71	77.4 Å²	77.4	50%	0.497	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-42.7	175.9	-55.3	0	0	0	0	111.3	E12 S13 I14 Q19 L20	E12-S16 PolarHBondContact O-N 3.23Å; E12-S16 PolarHBondContact O-OG 3.46Å; S13-S16 PolarHBondContact O-N 3.29Å; I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 3.45Å; S16-Q19 PolarHBondContact O-N 2.83Å; S16-L20 PolarHBondContact O-N 3.02Å
17	R	91.1	Very high	85.4	Confident	59 Å²	59	72.4 Å²	72.4	22%	0.223	36%	0.364	C	S	.	.	H	α-helix	trans	-65.4	-40.9	175.8	-67.6	178.2	174.1	149.1	2.2	112.7	S13 I14 N15 L20 V21 S102 D103 I104 S107	S13-R17 WeakPolarHBondContact O-CG 3.3Å; S13-R17 PolarHBondContact O-N 3.1Å; I14-R17 PolarHBondContact O-N 2.99Å; N15-R17 VanDerWaalsContact C-N 3.33Å; N15-R17 PolarHBondContact O-N 2.92Å; R17-L20 PolarHBondContact O-N 3.38Å; R17-V21 WeakPolarHBondContact O-CG2 3.45Å; R17-V21 PolarHBondContact O-N 3.08Å; R17-V21 VanDerWaalsContact O-N 3.1Å; R17-S102 PolarHBondContact O-OG 3.3Å; R17-D103 WeakPolarHBondContact CD-OD1 3.32Å; R17-D103 VanDerWaalsContact CG-OD1 3.28Å; R17-D103 WeakPolarHBondContact CG-OD1 3.4Å; R17-D103 IonicContact CZ-OD2 2.88Å; R17-D103 VanDerWaalsContact NE-CG 3.34Å; R17-D103 IonicContact NE-OD1 3.56Å; R17-D103 PolarHBondContact NE-OD1 3.16Å; R17-D103 IonicContact NE-OD2 3.86Å; R17-D103 PolarHBondContact NE-OD2 2.87Å; R17-D103 IonicContact NH2-OD2 2.99Å; R17-D103 PolarHBondContact NH2-OD2 3.16Å; R17-I104 HydrophobicContact CB-CB 4.09Å; R17-I104 HydrophobicContact CB-CD1 4.19Å; R17-I104 HydrophobicContact CB-CG1 4.16Å; R17-S107 VanDerWaalsContact NH1-CB 3.27Å; R17-S107 PolarHBondContact NH1-OG 3.35Å
18	L	91.6	Very high	87	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.5	-47.2	175.7	-89	165	0	0	0	111.2	I14 N15 L20 V21 M22 I47 L81 A84 L94 I104	I14-L18 HydrophobicContact CG1-CD1 4.33Å; I14-L18 WeakPolarHBondContact O-CB 3.19Å; I14-L18 WeakPolarHBondContact O-CG 3.22Å; I14-L18 PolarHBondContact O-N 3.46Å; N15-L18 WeakPolarHBondContact O-CB 3.24Å; N15-L18 PolarHBondContact O-N 3.23Å; L18-L20 PolarHBondContact O-N 3.44Å; L18-V21 WeakPolarHBondContact O-CB 3.34Å; L18-V21 PolarHBondContact O-N 3.27Å; L18-V21 VanDerWaalsContact O-N 3.12Å; L18-M22 HydrophobicContact CD2-CE 4.2Å; L18-M22 VanDerWaalsContact O-CG 3.31Å; L18-M22 WeakPolarHBondContact O-CG 3.47Å; L18-M22 PolarHBondContact O-N 3.49Å; L18-I47 HydrophobicContact CD2-CD1 3.64Å; L18-I47 HydrophobicContact CG-CD1 4.28Å; L18-L81 HydrophobicContact CD1-CD1 4.08Å; L18-A84 HydrophobicContact CD1-CB 4.38Å; L18-L94 HydrophobicContact CD2-CD2 3.52Å; L18-I104 HydrophobicContact CD2-CD1 4.19Å; L18-I104 HydrophobicContact CG-CD1 4.02Å
19	Q	92.3	Very high	88.5	Confident	109 Å²	109	63.5 Å²	63.5	51%	0.509	32%	0.322	S	S	.	.	H	α-helix	trans	-57.1	-36	176.8	-76.2	-174	-16.1	0	0	112.3	N15 S16 M22 K23	N15-Q19 WeakPolarHBondContact O-CG 3.28Å; N15-Q19 PolarHBondContact O-N 2.98Å; S16-Q19 PolarHBondContact O-N 2.83Å; Q19-M22 PolarHBondContact O-N 3.35Å; Q19-K23 WeakPolarHBondContact O-CG 3.44Å; Q19-K23 PolarHBondContact O-N 2.85Å
20	L	93.3	Very high	89.8	Confident	69 Å²	69	57.1 Å²	57.1	36%	0.361	30%	0.302	S	S	.	.	H	α-helix	trans	-69.2	-44.9	177.1	-153.1	150.1	0	0	0	111.5	S16 R17 L18 M22 K23 S24 D101 S102	S16-L20 PolarHBondContact O-N 3.02Å; R17-L20 PolarHBondContact O-N 3.38Å; L18-L20 PolarHBondContact O-N 3.44Å; L20-M22 PolarHBondContact O-N 3.39Å; L20-K23 PolarHBondContact O-N 2.77Å; L20-S24 WeakPolarHBondContact CD2-OG 3.44Å; L20-S24 PolarHBondContact O-N 2.86Å; L20-S24 PolarHBondContact O-OG 2.92Å; L20-S24 VanDerWaalsContact O-OG 3.11Å; L20-D101 VanDerWaalsContact CD2-C 3.41Å; L20-D101 HydrophobicContact CD2-CB 3.68Å; L20-S102 VanDerWaalsContact CD2-N 3.33Å
21	V	94.6	Very high	90.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57	-39.2	172.1	177.9	0	0	0	0	111.5	R17 L18 K23 G25 Y27 I96 S102 I104	R17-V21 WeakPolarHBondContact O-CG2 3.45Å; R17-V21 PolarHBondContact O-N 3.08Å; R17-V21 VanDerWaalsContact O-N 3.1Å; L18-V21 WeakPolarHBondContact O-CB 3.34Å; L18-V21 PolarHBondContact O-N 3.27Å; L18-V21 VanDerWaalsContact O-N 3.12Å; V21-K23 PolarHBondContact O-N 3.21Å; V21-G25 WeakPolarHBondContact O-CA 3.36Å; V21-G25 PolarHBondContact O-N 3.12Å; V21-Y27 HydrophobicContact CG1-CD1 4.49Å; V21-I96 HydrophobicContact CG1-CD1 4.28Å; V21-I96 HydrophobicContact CG1-CG1 4.2Å; V21-I96 HydrophobicContact CG1-CG2 4.03Å; V21-I96 HydrophobicContact CG2-CD1 4.31Å; V21-S102 VanDerWaalsContact CG2-CB 3.4Å; V21-I104 HydrophobicContact CG2-CB 4.44Å; V21-I104 HydrophobicContact CG2-CD1 4.44Å; V21-I104 HydrophobicContact CG2-CG2 3.8Å
22	M	94.3	Very high	92	Very high	31 Å²	31	61.7 Å²	61.7	15%	0.153	31%	0.31	C	S	.	.	H	α-helix	trans	-65.3	-25.6	179.8	-65.2	-58.8	125.5	0	0	113.2	L18 Q19 L20 Y27 C85 L94	L18-M22 HydrophobicContact CD2-CE 4.2Å; L18-M22 VanDerWaalsContact O-CG 3.31Å; L18-M22 WeakPolarHBondContact O-CG 3.47Å; L18-M22 PolarHBondContact O-N 3.49Å; Q19-M22 PolarHBondContact O-N 3.35Å; L20-M22 PolarHBondContact O-N 3.39Å; M22-Y27 HydrophobicContact CB-CE1 4.42Å; M22-Y27 HydrophobicContact CE-CD1 4.14Å; M22-Y27 HydrophobicContact CE-CD2 4.04Å; M22-Y27 HydrophobicContact CE-CE1 4.38Å; M22-Y27 HydrophobicContact CE-CE2 4.29Å; M22-Y27 HydrophobicContact CE-CG 3.96Å; M22-Y27 HydrophobicContact SD-CD1 3.94Å; M22-Y27 HydrophobicContact SD-CD2 3.9Å; M22-Y27 HydrophobicContact SD-CE1 3.58Å; M22-Y27 VanDerWaalsContact SD-CE1 3.58Å; M22-Y27 HydrophobicContact SD-CE2 3.53Å; M22-Y27 VanDerWaalsContact SD-CE2 3.53Å; M22-Y27 HydrophobicContact SD-CG 4.1Å; M22-C85 HydrophobicContact CE-CB 4.12Å; M22-C85 HydrophobicContact CG-CB 4.25Å; M22-C85 WeakPolarHBondContact CG-O 3.31Å; M22-C85 HydrophobicContact SD-CB 3.77Å; M22-L94 HydrophobicContact CE-CD1 4.3Å; M22-L94 HydrophobicContact CE-CD2 3.71Å
23	K	93.7	Very high	93	Very high	185 Å²	185	61.1 Å²	61.1	80%	0.804	31%	0.307	S	S	*	.	H	α-helix	trans	-89.3	-48.4	-179.3	-72.4	175.7	176.4	179.5	0	112.7	Q19 L20 V21	Q19-K23 WeakPolarHBondContact O-CG 3.44Å; Q19-K23 PolarHBondContact O-N 2.85Å; L20-K23 PolarHBondContact O-N 2.77Å; V21-K23 PolarHBondContact O-N 3.21Å
24	S	94.4	Very high	93.5	Very high	50 Å²	50	58.9 Å²	58.9	35%	0.35	29%	0.291	S	S	.	.	H	α-helix	trans	-109.6	-17.7	-171.1	61.5	0	0	0	0	114.1	L20 D101	L20-S24 WeakPolarHBondContact CD2-OG 3.44Å; L20-S24 PolarHBondContact O-N 2.86Å; L20-S24 PolarHBondContact O-OG 2.92Å; L20-S24 VanDerWaalsContact O-OG 3.11Å; S24-D101 PolarHBondContact OG-N 2.94Å
25	G	94.2	Very high	93.9	Very high	15 Å²	15	59.3 Å²	59.3	16%	0.155	29%	0.293	C	S	.	.	S	Bend	trans	-94.8	175.5	-171.1	0	0	0	0	0	114.4	V21 D98	V21-G25 WeakPolarHBondContact O-CA 3.36Å; V21-G25 PolarHBondContact O-N 3.12Å; G25-D98 CarbonylContact C-O 3.54Å; G25-D98 WeakPolarHBondContact CA-O 3.47Å
26	K	95.9	Very high	94.1	Very high	137 Å²	137	62.7 Å²	62.7	60%	0.596	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	126.3	171.2	-62.2	178.9	-177.2	170.3	0	109.3	I97 D98	K26-I97 HydrophobicContact CB-CB 4.24Å; K26-I97 WeakPolarHBondContact O-CB 3.15Å; K26-I97 PolarHBondContact O-N 2.96Å; K26-D98 HydrophobicContact CB-CB 3.78Å; K26-D98 HydrophobicContact CD-CB 4.37Å; K26-D98 HydrophobicContact CG-CB 4.12Å; K26-D98 PolarHBondContact N-O 3.25Å; K26-D98 PolarHBondContact O-N 3.45Å
27	Y	95.6	Very high	94.4	Very high	62 Å²	62	61.2 Å²	61.2	24%	0.243	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.5	-175	64.1	-90.3	0	0	0	111	V21 M22 L29 K87 L94 A95	V21-Y27 HydrophobicContact CG1-CD1 4.49Å; M22-Y27 HydrophobicContact CB-CE1 4.42Å; M22-Y27 HydrophobicContact CE-CD1 4.14Å; M22-Y27 HydrophobicContact CE-CD2 4.04Å; M22-Y27 HydrophobicContact CE-CE1 4.38Å; M22-Y27 HydrophobicContact CE-CE2 4.29Å; M22-Y27 HydrophobicContact CE-CG 3.96Å; M22-Y27 HydrophobicContact SD-CD1 3.94Å; M22-Y27 HydrophobicContact SD-CD2 3.9Å; M22-Y27 HydrophobicContact SD-CE1 3.58Å; M22-Y27 VanDerWaalsContact SD-CE1 3.58Å; M22-Y27 HydrophobicContact SD-CE2 3.53Å; M22-Y27 VanDerWaalsContact SD-CE2 3.53Å; M22-Y27 HydrophobicContact SD-CG 4.1Å; Y27-L29 HydrophobicContact CD2-CD1 4.34Å; Y27-L29 HydrophobicContact CD2-CD2 4.35Å; Y27-L29 HydrophobicContact CD2-CG 3.95Å; Y27-L29 HydrophobicContact CE2-CD1 3.8Å; Y27-L29 HydrophobicContact CE2-CG 3.94Å; Y27-K87 PolarHBondContact OH-NZ 3.32Å; Y27-L94 HydrophobicContact CD2-CD1 3.97Å; Y27-L94 HydrophobicContact CG-CD1 4.27Å; Y27-A95 CarbonylContact C-O 3.53Å; Y27-A95 WeakPolarHBondContact CA-O 3.12Å
28	V	96.7	Very high	94.6	Very high	15 Å²	15	58.5 Å²	58.5	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.2	169.5	-66.1	0	0	0	0	110.2	Q33 M37 L94 A95 I97	V28-Q33 HydrophobicContact CB-CB 4.08Å; V28-Q33 HydrophobicContact CG2-CB 4.33Å; V28-M37 HydrophobicContact CB-CG 4.45Å; V28-M37 HydrophobicContact CG1-CE 3.74Å; V28-M37 HydrophobicContact CG1-CG 4.02Å; V28-M37 HydrophobicContact CG2-CB 4.21Å; V28-M37 HydrophobicContact CG2-CG 3.62Å; V28-L94 WeakPolarHBondContact O-CD1 3.44Å; V28-A95 HydrophobicContact CG2-CB 3.75Å; V28-A95 PolarHBondContact N-O 3.17Å; V28-A95 PolarHBondContact O-N 3.04Å; V28-I97 HydrophobicContact CG1-CD1 3.92Å
29	L	95.1	Very high	94.7	Very high	24 Å²	24	65.3 Å²	65.3	13%	0.126	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.9	-179.6	-64.3	165.8	0	0	0	109.9	Y27 C85 K87 Y89 V91 L94	Y27-L29 HydrophobicContact CD2-CD1 4.34Å; Y27-L29 HydrophobicContact CD2-CD2 4.35Å; Y27-L29 HydrophobicContact CD2-CG 3.95Å; Y27-L29 HydrophobicContact CE2-CD1 3.8Å; Y27-L29 HydrophobicContact CE2-CG 3.94Å; L29-C85 HydrophobicContact CD2-CB 4.49Å; L29-K87 HydrophobicContact CD1-CD 4.13Å; L29-K87 HydrophobicContact CD1-CG 3.77Å; L29-Y89 HydrophobicContact CD1-CE2 4.49Å; L29-Y89 VanDerWaalsContact CD1-OH 3.3Å; L29-Y89 WeakPolarHBondContact CD1-OH 3.28Å; L29-V91 HydrophobicContact CD2-CG1 3.7Å; L29-V91 HydrophobicContact CD2-CG2 4.15Å; L29-L94 HydrophobicContact CD2-CB 4.13Å; L29-L94 HydrophobicContact CD2-CD1 3.56Å; L29-L94 HydrophobicContact CD2-CD2 4.47Å; L29-L94 HydrophobicContact CD2-CG 4.25Å; L29-L94 HydrophobicContact CG-CD1 4.28Å
30	G	94.3	Very high	94.8	Very high	27 Å²	27	64.3 Å²	64.3	28%	0.278	30%	0.302	S	S	.	.	S	Bend	trans	95.6	160	174.3	0	0	0	0	0	114	S34 T93	G30-S34 VanDerWaalsContact O-CB 3.24Å; G30-S34 WeakPolarHBondContact O-CB 3.45Å; G30-S34 PolarHBondContact O-N 3.25Å; G30-S34 PolarHBondContact O-OG 2.96Å; G30-T93 WeakPolarHBondContact CA-O 3.33Å; G30-T93 PolarHBondContact N-O 3.47Å
31	Y	94.3	Very high	94.8	Very high	45 Å²	45	63.7 Å²	63.7	18%	0.176	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-59.3	-169.8	178.5	-103.1	0	0	0	113.6	Q33 S34 Q35 R56 E59 I60	Y31-Q33 VanDerWaalsContact C-N 3.31Å; Y31-Q33 PolarHBondContact O-N 2.84Å; Y31-S34 PolarHBondContact O-N 2.99Å; Y31-Q35 WeakPolarHBondContact O-CB 3.49Å; Y31-Q35 PolarHBondContact O-N 3.5Å; Y31-R56 HydrophobicContact CD2-CB 4.09Å; Y31-R56 HydrophobicContact CD2-CG 4.05Å; Y31-R56 HydrophobicContact CE2-CB 3.8Å; Y31-R56 HydrophobicContact CE2-CG 3.75Å; Y31-E59 WeakPolarHBondContact OH-CG 3.35Å; Y31-E59 PolarHBondContact OH-OE1 2.87Å; Y31-E59 PolarHBondContact OH-OE2 3.11Å; Y31-I60 HydrophobicContact CD2-CD1 4.15Å; Y31-I60 HydrophobicContact CD2-CG1 3.98Å; Y31-I60 HydrophobicContact CE2-CD1 3.96Å; Y31-I60 HydrophobicContact CE2-CG1 3.67Å
32	K	94.3	Very high	94.8	Very high	173 Å²	173	69.2 Å²	69.2	75%	0.752	34%	0.337	S	S	*	.	H	α-helix	trans	-60.3	-39.9	-175.4	-65.8	-177.3	177.7	-178.2	0	112.5	K36	K32-K36 WeakPolarHBondContact O-CB 3.41Å; K32-K36 PolarHBondContact O-N 3.13Å; K32-K36 VanDerWaalsContact O-N 3.07Å
33	Q	95.4	Very high	94.8	Very high	113 Å²	113	68 Å²	68	53%	0.528	33%	0.332	S	S	.	.	H	α-helix	trans	-72.9	-42.7	179.2	-67.1	-162.6	-9.3	0	0	111.8	V28 Y31 Q35 K36 M37	V28-Q33 HydrophobicContact CB-CB 4.08Å; V28-Q33 HydrophobicContact CG2-CB 4.33Å; Y31-Q33 VanDerWaalsContact C-N 3.31Å; Y31-Q33 PolarHBondContact O-N 2.84Å; Q33-Q35 PolarHBondContact O-N 3.19Å; Q33-K36 WeakPolarHBondContact O-CB 3.3Å; Q33-K36 PolarHBondContact O-N 2.96Å; Q33-M37 WeakPolarHBondContact O-CG 3.37Å; Q33-M37 PolarHBondContact O-N 3.46Å
34	S	95.1	Very high	94.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-48	175.9	-58.9	0	0	0	0	110.6	G30 Y31 K36 M37 I38 A95	G30-S34 VanDerWaalsContact O-CB 3.24Å; G30-S34 WeakPolarHBondContact O-CB 3.45Å; G30-S34 PolarHBondContact O-N 3.25Å; G30-S34 PolarHBondContact O-OG 2.96Å; Y31-S34 PolarHBondContact O-N 2.99Å; S34-K36 VanDerWaalsContact C-N 3.31Å; S34-K36 PolarHBondContact O-N 3.21Å; S34-M37 PolarHBondContact O-N 3Å; S34-M37 VanDerWaalsContact O-N 3.1Å; S34-I38 WeakPolarHBondContact O-CD1 3.36Å; S34-I38 WeakPolarHBondContact O-CG1 3.47Å; S34-I38 PolarHBondContact O-N 2.99Å; S34-A95 PolarHBondContact OG-N 3.29Å
35	Q	94.8	Very high	94.8	Very high	22 Å²	22	62.1 Å²	62.1	10%	0.103	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-41.7	175.9	-160.1	-166	5.9	0	0	112	Y31 Q33 I38 R39 E59 I60 Y63	Y31-Q35 WeakPolarHBondContact O-CB 3.49Å; Y31-Q35 PolarHBondContact O-N 3.5Å; Q33-Q35 PolarHBondContact O-N 3.19Å; Q35-I38 PolarHBondContact O-N 3.07Å; Q35-R39 VanDerWaalsContact NE2-NH1 3.15Å; Q35-R39 WeakPolarHBondContact O-CG 3.46Å; Q35-R39 PolarHBondContact O-N 3.3Å; Q35-E59 PolarHBondContact NE2-OE1 3.48Å; Q35-I60 HydrophobicContact CB-CD1 4.04Å; Q35-I60 HydrophobicContact CG-CD1 4.38Å; Q35-Y63 HydrophobicContact CG-CD2 3.85Å; Q35-Y63 HydrophobicContact CG-CE2 3.97Å
36	K	96.1	Very high	94.8	Very high	110 Å²	110	61.4 Å²	61.4	48%	0.478	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-44.5	174.9	-177.7	-179.8	178	179.9	0	111.9	K32 Q33 S34 R39 Q40	K32-K36 WeakPolarHBondContact O-CB 3.41Å; K32-K36 PolarHBondContact O-N 3.13Å; K32-K36 VanDerWaalsContact O-N 3.07Å; Q33-K36 WeakPolarHBondContact O-CB 3.3Å; Q33-K36 PolarHBondContact O-N 2.96Å; S34-K36 VanDerWaalsContact C-N 3.31Å; S34-K36 PolarHBondContact O-N 3.21Å; K36-R39 PolarHBondContact O-N 2.93Å; K36-Q40 VanDerWaalsContact O-CG 3.3Å; K36-Q40 WeakPolarHBondContact O-CG 3.22Å; K36-Q40 PolarHBondContact O-N 3.1Å
37	M	96.3	Very high	94.7	Very high	39 Å²	39	54.9 Å²	54.9	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-70	-35	-179.2	-67.6	-56.9	-179.4	0	0	112.9	V28 Q33 S34 Q40 G41 K42 A43 I97	V28-M37 HydrophobicContact CB-CG 4.45Å; V28-M37 HydrophobicContact CG1-CE 3.74Å; V28-M37 HydrophobicContact CG1-CG 4.02Å; V28-M37 HydrophobicContact CG2-CB 4.21Å; V28-M37 HydrophobicContact CG2-CG 3.62Å; Q33-M37 WeakPolarHBondContact O-CG 3.37Å; Q33-M37 PolarHBondContact O-N 3.46Å; S34-M37 PolarHBondContact O-N 3Å; S34-M37 VanDerWaalsContact O-N 3.1Å; M37-Q40 PolarHBondContact O-N 2.9Å; M37-G41 PolarHBondContact O-N 3.33Å; M37-K42 PolarHBondContact O-N 3.45Å; M37-K42 HydrophobicContact SD-CD 4.41Å; M37-A43 HydrophobicContact CB-CB 4.3Å; M37-A43 PolarHBondContact O-N 2.93Å; M37-I97 HydrophobicContact CE-CD1 3.92Å; M37-I97 HydrophobicContact CG-CD1 4.01Å; M37-I97 HydrophobicContact CG-CG1 4.38Å; M37-I97 HydrophobicContact SD-CD1 3.92Å
38	I	94.6	Very high	94.7	Very high	2 Å²	2	52 Å²	52	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-48.9	173.3	-62.1	160.7	0	0	0	109.9	S34 Q35 Q40 G41 A43 V46 I60 Y63 A67	S34-I38 WeakPolarHBondContact O-CD1 3.36Å; S34-I38 WeakPolarHBondContact O-CG1 3.47Å; S34-I38 PolarHBondContact O-N 2.99Å; Q35-I38 PolarHBondContact O-N 3.07Å; I38-Q40 PolarHBondContact O-N 2.91Å; I38-G41 PolarHBondContact O-N 3.47Å; I38-A43 HydrophobicContact CG1-CB 3.88Å; I38-V46 HydrophobicContact CD1-CG1 4.48Å; I38-V46 HydrophobicContact CD1-CG2 3.62Å; I38-V46 HydrophobicContact CG1-CG2 3.76Å; I38-I60 HydrophobicContact CD1-CD1 3.93Å; I38-I60 HydrophobicContact CD1-CG2 4.02Å; I38-Y63 VanDerWaalsContact CG2-C 3.48Å; I38-Y63 WeakPolarHBondContact CG2-O 3.33Å; I38-A67 HydrophobicContact CG2-CB 3.79Å
39	R	93.9	Very high	94.6	Very high	143 Å²	143	51.4 Å²	51.4	54%	0.54	25%	0.25	S	S	.	.	H	α-helix	trans	-61.6	-28.6	176.8	-71.3	-165.9	-51.9	-98.4	-1.2	113.6	Q35 K36 G41 Y63	Q35-R39 VanDerWaalsContact NE2-NH1 3.15Å; Q35-R39 WeakPolarHBondContact O-CG 3.46Å; Q35-R39 PolarHBondContact O-N 3.3Å; K36-R39 PolarHBondContact O-N 2.93Å; R39-G41 VanDerWaalsContact C-N 3.27Å; R39-Y63 HydrophobicContact CG-CD1 4.34Å; R39-Y63 HydrophobicContact CG-CE1 4.5Å
40	Q	94.6	Very high	94.5	Very high	88 Å²	88	55.7 Å²	55.7	41%	0.411	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.9	174.6	-72.7	-175.6	5.7	0	0	113.5	K36 M37 I38 K42	K36-Q40 VanDerWaalsContact O-CG 3.3Å; K36-Q40 WeakPolarHBondContact O-CG 3.22Å; K36-Q40 PolarHBondContact O-N 3.1Å; M37-Q40 PolarHBondContact O-N 2.9Å; I38-Q40 PolarHBondContact O-N 2.91Å; Q40-K42 HydrophobicContact CB-CD 4.23Å; Q40-K42 HydrophobicContact CB-CG 4.13Å; Q40-K42 PolarHBondContact O-N 3.2Å; Q40-K42 VanDerWaalsContact OE1-NZ 3.13Å
41	G	92.3	Very high	94.5	Very high	57 Å²	57	58.2 Å²	58.2	59%	0.588	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	18	-175.5	0	0	0	0	0	114.1	M37 I38 R39	M37-G41 PolarHBondContact O-N 3.33Å; I38-G41 PolarHBondContact O-N 3.47Å; R39-G41 VanDerWaalsContact C-N 3.27Å
42	K	94.6	Very high	94.4	Very high	115 Å²	115	56.4 Å²	56.4	50%	0.5	27%	0.274	S	S	.	.			trans	-94.7	-21.4	-178.4	-67.8	-179.7	-176.7	167.8	0	113	M37 Q40 I97	M37-K42 PolarHBondContact O-N 3.45Å; M37-K42 HydrophobicContact SD-CD 4.41Å; Q40-K42 HydrophobicContact CB-CD 4.23Å; Q40-K42 HydrophobicContact CB-CG 4.13Å; Q40-K42 PolarHBondContact O-N 3.2Å; Q40-K42 VanDerWaalsContact OE1-NZ 3.13Å; K42-I97 HydrophobicContact CB-CG2 4.42Å
43	A	94.8	Very high	94.3	Very high	6 Å²	6	51 Å²	51	5%	0.05	26%	0.256	C	S	.	.			trans	-72.3	130.8	175.8	0	0	0	0	0	109.5	M37 I38 T69 A95	M37-A43 HydrophobicContact CB-CB 4.3Å; M37-A43 PolarHBondContact O-N 2.93Å; I38-A43 HydrophobicContact CG1-CB 3.88Å; A43-T69 HydrophobicContact CB-CG2 3.92Å; A43-T69 WeakPolarHBondContact O-CG2 3.25Å; A43-T69 PolarHBondContact O-OG1 3.48Å; A43-A95 HydrophobicContact CB-CB 4.18Å
44	K	93.5	Very high	94.1	Very high	110 Å²	110	49.1 Å²	49.1	48%	0.478	26%	0.261	S	S	.	.	S	Bend	trans	-99.1	-32.1	174	-60.6	-179.8	-177.8	173.1	0	111.8	G70 I96 I97 I105	K44-G70 PolarHBondContact O-N 3.31Å; K44-I96 PolarHBondContact N-O 3.15Å; K44-I97 VanDerWaalsContact CD-O 3.24Å; K44-I97 WeakPolarHBondContact CD-O 3.4Å; K44-I97 WeakPolarHBondContact CE-O 3.36Å; K44-I97 WeakPolarHBondContact CG-O 2.93Å; K44-I105 HydrophobicContact CB-CD1 3.59Å; K44-I105 HydrophobicContact CD-CD1 3.92Å; K44-I105 HydrophobicContact CG-CD1 4.42Å
45	L	93.9	Very high	94.1	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	138.1	179.6	172	61.6	0	0	0	110.4	I47 G70 H72 A95 I96 I104 I105 M108	L45-I47 HydrophobicContact CD2-CD1 4.49Å; L45-I47 HydrophobicContact CD2-CG1 4.49Å; L45-I47 HydrophobicContact CG-CG1 4.3Å; L45-G70 CarbonylContact C-O 3.37Å; L45-G70 WeakPolarHBondContact CA-O 3.33Å; L45-G70 WeakPolarHBondContact CD1-O 3.42Å; L45-H72 HydrophobicContact CD1-CB 4.17Å; L45-A95 WeakPolarHBondContact O-CA 3.44Å; L45-I96 HydrophobicContact CB-CB 4.3Å; L45-I96 HydrophobicContact CD2-CD1 3.94Å; L45-I96 HydrophobicContact CG-CD1 4.35Å; L45-I96 PolarHBondContact N-O 3.4Å; L45-I96 PolarHBondContact O-N 3.17Å; L45-I104 HydrophobicContact CD2-CD1 4.34Å; L45-I104 HydrophobicContact CD2-CG1 3.89Å; L45-I104 HydrophobicContact CD2-CG2 4.12Å; L45-I105 HydrophobicContact CB-CG1 4.22Å; L45-I105 HydrophobicContact CD2-CG1 4.28Å; L45-M108 HydrophobicContact CD1-CE 3.51Å; L45-M108 HydrophobicContact CD1-SD 3.35Å; L45-M108 WeakPolarHBondContact CD1-SD 3.45Å; L45-M108 HydrophobicContact CD2-CE 3.41Å; L45-M108 VanDerWaalsContact CD2-CE 3.41Å; L45-M108 HydrophobicContact CD2-SD 4.4Å; L45-M108 HydrophobicContact CG-CE 4.11Å
46	V	94.8	Very high	94	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.2	174.6	-175.4	0	0	0	0	109.6	I38 L48 I60 T69 G70 V71 H72 T93 L94 A95	I38-V46 HydrophobicContact CD1-CG1 4.48Å; I38-V46 HydrophobicContact CD1-CG2 3.62Å; I38-V46 HydrophobicContact CG1-CG2 3.76Å; V46-L48 HydrophobicContact CG1-CG 4.49Å; V46-I60 HydrophobicContact CG1-CG2 3.61Å; V46-T69 HydrophobicContact CG2-CG2 3.81Å; V46-G70 PolarHBondContact N-O 3.48Å; V46-V71 CarbonylContact O-C 3.5Å; V46-V71 WeakPolarHBondContact O-CA 3.48Å; V46-H72 PolarHBondContact O-N 3.26Å; V46-T93 HydrophobicContact CG1-CG2 4.01Å; V46-L94 CarbonylContact C-O 3.55Å; V46-L94 WeakPolarHBondContact CA-O 3.5Å; V46-A95 HydrophobicContact CG2-CB 4.26Å
47	I	94.1	Very high	93.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.5	179.5	-58.2	172.8	0	0	0	108.6	L18 L45 H72 L81 T93 L94 I96 I104	L18-I47 HydrophobicContact CD2-CD1 3.64Å; L18-I47 HydrophobicContact CG-CD1 4.28Å; L45-I47 HydrophobicContact CD2-CD1 4.49Å; L45-I47 HydrophobicContact CD2-CG1 4.49Å; L45-I47 HydrophobicContact CG-CG1 4.3Å; I47-H72 WeakPolarHBondContact CA-O 3.48Å; I47-H72 HydrophobicContact CG1-CB 4.29Å; I47-L81 HydrophobicContact CG2-CD1 4.07Å; I47-L81 HydrophobicContact CG2-CD2 4.34Å; I47-T93 WeakPolarHBondContact O-CA 3.43Å; I47-L94 HydrophobicContact CB-CB 4.4Å; I47-L94 HydrophobicContact CD1-CD2 4.21Å; I47-L94 PolarHBondContact N-O 3.23Å; I47-L94 PolarHBondContact O-N 3.43Å; I47-I96 HydrophobicContact CD1-CD1 3.73Å; I47-I104 HydrophobicContact CD1-CD1 3.91Å
48	L	94.9	Very high	93.8	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.8	-177.7	-69.4	166.7	0	0	0	110.1	V46 K57 I60 E61 V71 H72 Y74 T93	V46-L48 HydrophobicContact CG1-CG 4.49Å; L48-K57 HydrophobicContact CD1-CG 4.21Å; L48-I60 HydrophobicContact CD1-CG2 4.16Å; L48-I60 HydrophobicContact CD2-CB 4.35Å; L48-I60 HydrophobicContact CD2-CG2 4.04Å; L48-I60 HydrophobicContact CG-CG2 4.42Å; L48-E61 HydrophobicContact CD1-CG 4.14Å; L48-V71 HydrophobicContact CD1-CG1 3.89Å; L48-H72 PolarHBondContact N-O 3.1Å; L48-Y74 WeakPolarHBondContact O-CB 3.24Å; L48-Y74 PolarHBondContact O-N 3.07Å; L48-T93 HydrophobicContact CD2-CG2 3.73Å
49	A	95.1	Very high	93.7	Very high	3 Å²	3	61.5 Å²	61.5	3%	0.025	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	150	172	0	0	0	0	0	111.1	N51 C52 N78 L81 C92	A49-N51 VanDerWaalsContact C-N 3.31Å; A49-N51 PolarHBondContact O-N 3.35Å; A49-C52 WeakPolarHBondContact O-CB 3.37Å; A49-C52 PolarHBondContact O-N 3.07Å; A49-C52 VanDerWaalsContact O-N 3.15Å; A49-N78 HydrophobicContact CB-CB 4.1Å; A49-L81 HydrophobicContact CB-CD2 3.98Å; A49-C92 PolarHBondContact N-O 2.82Å
50	N	93.2	Very high	93.8	Very high	113 Å²	113	54.7 Å²	54.7	60%	0.604	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-39.2	-177.9	-172.4	8.5	0	0	0	112.8	C52 Y74 S75 G76	N50-C52 VanDerWaalsContact C-N 3.26Å; N50-C52 PolarHBondContact O-N 2.97Å; N50-Y74 PolarHBondContact N-O 2.99Å; N50-S75 PolarHBondContact ND2-O 3.34Å; N50-G76 VanDerWaalsContact CB-O 3.31Å; N50-G76 WeakPolarHBondContact CB-O 3.25Å; N50-G76 PolarHBondContact N-O 3.42Å
51	N	93.8	Very high	93.7	Very high	81 Å²	81	53.2 Å²	53.2	43%	0.433	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	19.5	179.8	71.2	-22.6	0	0	0	114	A49 N78	A49-N51 VanDerWaalsContact C-N 3.31Å; A49-N51 PolarHBondContact O-N 3.35Å; N51-N78 PolarHBondContact ND2-OD1 2.87Å; N51-N78 WeakPolarHBondContact OD1-CB 3.47Å; N51-N78 PolarHBondContact OD1-N 2.9Å
52	C	92.1	Very high	93.9	Very high	7 Å²	7	57 Å²	57	5%	0.047	29%	0.29	C	S	.	.	S	Bend	trans	-72.6	131.2	176.8	-143.2	0	0	0	0	110.3	A49 N50 A54 C92	A49-C52 WeakPolarHBondContact O-CB 3.37Å; A49-C52 PolarHBondContact O-N 3.07Å; A49-C52 VanDerWaalsContact O-N 3.15Å; N50-C52 VanDerWaalsContact C-N 3.26Å; N50-C52 PolarHBondContact O-N 2.97Å; C52-A54 PolarHBondContact O-N 3.14Å; C52-C92 WeakPolarHBondContact CA-SG 3.28Å; C52-C92 HydrophobicContact CB-CB 4.44Å; C52-C92 WeakPolarHBondContact CB-SG 3.06Å; C52-C92 WeakPolarHBondContact SG-CB 3.34Å; C52-C92 CovalentContact SG-SG 2.05Å; C52-C92 PolarHBondContact SG-SG 3.48Å
53	P	93.1	Very high	93.9	Very high	58 Å²	58	54.8 Å²	54.8	38%	0.377	28%	0.279	S	S	.	.			trans	-57.2	138.2	-174.7	-30.5	39.5	0	0	0	112.6	L55 R56 K57	P53-L55 VanDerWaalsContact C-N 3.29Å; P53-L55 PolarHBondContact O-N 2.89Å; P53-L55 VanDerWaalsContact O-N 3.16Å; P53-R56 VanDerWaalsContact CG-NH2 3.34Å; P53-R56 PolarHBondContact O-N 3.25Å; P53-K57 PolarHBondContact O-N 3.47Å
54	A	91.9	Very high	93.8	Very high	75 Å²	75	54.5 Å²	54.5	62%	0.62	28%	0.277	S	S	*	.	H	α-helix	trans	-49.1	-47.9	-171.7	0	0	0	0	0	112.7	C52 R56 K57 S58	C52-A54 PolarHBondContact O-N 3.14Å; A54-R56 PolarHBondContact O-N 3.36Å; A54-K57 WeakPolarHBondContact O-CB 3.29Å; A54-K57 PolarHBondContact O-N 3.29Å; A54-K57 VanDerWaalsContact O-N 3.16Å; A54-S58 PolarHBondContact O-N 2.64Å; A54-S58 PolarHBondContact O-OG 2.83Å; A54-S58 VanDerWaalsContact O-OG 3.14Å
55	L	93.4	Very high	93.8	Very high	140 Å²	140	56.5 Å²	56.5	73%	0.733	29%	0.29	S	S	*	.	H	α-helix	trans	-57.6	-44.3	179	-174.8	63.4	0	0	0	113	P53 E59	P53-L55 VanDerWaalsContact C-N 3.29Å; P53-L55 PolarHBondContact O-N 2.89Å; P53-L55 VanDerWaalsContact O-N 3.16Å; L55-E59 WeakPolarHBondContact O-CB 3.1Å; L55-E59 PolarHBondContact O-N 3.28Å
56	R	92.6	Very high	93.6	Very high	96 Å²	96	61.6 Å²	61.6	36%	0.362	32%	0.316	S	S	.	.	H	α-helix	trans	-71.5	-34.3	178.9	-76.6	-169.5	-89.2	143.7	-16.3	112.3	Y31 P53 A54 I60	Y31-R56 HydrophobicContact CD2-CB 4.09Å; Y31-R56 HydrophobicContact CD2-CG 4.05Å; Y31-R56 HydrophobicContact CE2-CB 3.8Å; Y31-R56 HydrophobicContact CE2-CG 3.75Å; P53-R56 VanDerWaalsContact CG-NH2 3.34Å; P53-R56 PolarHBondContact O-N 3.25Å; A54-R56 PolarHBondContact O-N 3.36Å; R56-I60 WeakPolarHBondContact O-CG1 3.48Å; R56-I60 PolarHBondContact O-N 3.47Å
57	K	93.6	Very high	93.5	Very high	69 Å²	69	63.4 Å²	63.4	30%	0.3	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-54.1	175.1	175.2	175.1	177.5	-174.7	0	109.9	L48 P53 A54 E59 I60 E61	L48-K57 HydrophobicContact CD1-CG 4.21Å; P53-K57 PolarHBondContact O-N 3.47Å; A54-K57 WeakPolarHBondContact O-CB 3.29Å; A54-K57 PolarHBondContact O-N 3.29Å; A54-K57 VanDerWaalsContact O-N 3.16Å; K57-E59 VanDerWaalsContact C-N 3.34Å; K57-E59 PolarHBondContact O-N 3.03Å; K57-I60 PolarHBondContact O-N 2.79Å; K57-E61 WeakPolarHBondContact CE-OE1 3.49Å; K57-E61 WeakPolarHBondContact CG-OE1 3.35Å; K57-E61 WeakPolarHBondContact O-CB 3.37Å; K57-E61 WeakPolarHBondContact O-CG 3.4Å; K57-E61 PolarHBondContact O-N 3.16Å
58	S	94.4	Very high	93.3	Very high	65 Å²	65	72.9 Å²	72.9	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-39.3	178.9	-57.7	0	0	0	0	112.8	A54 E61 Y62	A54-S58 PolarHBondContact O-N 2.64Å; A54-S58 PolarHBondContact O-OG 2.83Å; A54-S58 VanDerWaalsContact O-OG 3.14Å; S58-E61 PolarHBondContact O-N 2.79Å; S58-Y62 VanDerWaalsContact O-CB 3.28Å; S58-Y62 WeakPolarHBondContact O-CB 3.48Å; S58-Y62 PolarHBondContact O-N 2.82Å
59	E	94.2	Very high	93.1	Very high	63 Å²	63	73.5 Å²	73.5	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-63.9	-43	177.3	-172	176.7	155	0	0	111.8	Y31 Q35 L55 K57 Y62 Y63	Y31-E59 WeakPolarHBondContact OH-CG 3.35Å; Y31-E59 PolarHBondContact OH-OE1 2.87Å; Y31-E59 PolarHBondContact OH-OE2 3.11Å; Q35-E59 PolarHBondContact NE2-OE1 3.48Å; L55-E59 WeakPolarHBondContact O-CB 3.1Å; L55-E59 PolarHBondContact O-N 3.28Å; K57-E59 VanDerWaalsContact C-N 3.34Å; K57-E59 PolarHBondContact O-N 3.03Å; E59-Y62 PolarHBondContact O-N 2.96Å; E59-Y63 HydrophobicContact CG-CD2 3.92Å; E59-Y63 HydrophobicContact CG-CE2 3.5Å; E59-Y63 WeakPolarHBondContact O-CD2 3.22Å; E59-Y63 PolarHBondContact O-N 2.7Å; E59-Y63 VanDerWaalsContact O-N 3.09Å
60	I	94.9	Very high	92.9	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-68.7	-42.5	177.2	-71.1	-71.3	0	0	0	111.7	Y31 Q35 I38 V46 L48 R56 K57 Y62 Y63 A64 T93	Y31-I60 HydrophobicContact CD2-CD1 4.15Å; Y31-I60 HydrophobicContact CD2-CG1 3.98Å; Y31-I60 HydrophobicContact CE2-CD1 3.96Å; Y31-I60 HydrophobicContact CE2-CG1 3.67Å; Q35-I60 HydrophobicContact CB-CD1 4.04Å; Q35-I60 HydrophobicContact CG-CD1 4.38Å; I38-I60 HydrophobicContact CD1-CD1 3.93Å; I38-I60 HydrophobicContact CD1-CG2 4.02Å; V46-I60 HydrophobicContact CG1-CG2 3.61Å; L48-I60 HydrophobicContact CD1-CG2 4.16Å; L48-I60 HydrophobicContact CD2-CB 4.35Å; L48-I60 HydrophobicContact CD2-CG2 4.04Å; L48-I60 HydrophobicContact CG-CG2 4.42Å; R56-I60 WeakPolarHBondContact O-CG1 3.48Å; R56-I60 PolarHBondContact O-N 3.47Å; K57-I60 PolarHBondContact O-N 2.79Å; I60-Y62 VanDerWaalsContact C-N 3.31Å; I60-Y62 PolarHBondContact O-N 2.81Å; I60-Y63 PolarHBondContact O-N 3.42Å; I60-A64 VanDerWaalsContact O-CB 3.25Å; I60-A64 WeakPolarHBondContact O-CB 3.46Å; I60-A64 PolarHBondContact O-N 2.87Å; I60-T93 HydrophobicContact CD1-CG2 4.36Å; I60-T93 HydrophobicContact CG1-CG2 4.32Å; I60-T93 HydrophobicContact CG2-CG2 4.41Å
61	E	93.7	Very high	92.9	Very high	56 Å²	56	71.2 Å²	71.2	26%	0.262	37%	0.372	S	S	.	.	H	α-helix	trans	-58.8	-43.9	175.4	-76.3	165.5	-176.2	0	0	111.3	L48 K57 S58 A64 M65 V71 H73	L48-E61 HydrophobicContact CD1-CG 4.14Å; K57-E61 WeakPolarHBondContact CE-OE1 3.49Å; K57-E61 WeakPolarHBondContact CG-OE1 3.35Å; K57-E61 WeakPolarHBondContact O-CB 3.37Å; K57-E61 WeakPolarHBondContact O-CG 3.4Å; K57-E61 PolarHBondContact O-N 3.16Å; S58-E61 PolarHBondContact O-N 2.79Å; E61-A64 PolarHBondContact O-N 3.31Å; E61-M65 WeakPolarHBondContact O-CB 3.37Å; E61-M65 PolarHBondContact O-N 3.45Å; E61-V71 HydrophobicContact CG-CG1 4.31Å; E61-H73 IonicContact OE1-CE1 2.98Å; E61-H73 PolarHBondContact OE1-CE1 3.43Å; E61-H73 IonicContact OE1-ND1 3.37Å; E61-H73 IonicContact OE1-NE2 3.06Å
62	Y	95.4	Very high	92.8	Very high	138 Å²	138	69.4 Å²	69.4	54%	0.541	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-49.2	176.5	176.4	-104.6	0	0	0	112	S58 E59 I60 A64 M65 L66	S58-Y62 VanDerWaalsContact O-CB 3.28Å; S58-Y62 WeakPolarHBondContact O-CB 3.48Å; S58-Y62 PolarHBondContact O-N 2.82Å; E59-Y62 PolarHBondContact O-N 2.96Å; I60-Y62 VanDerWaalsContact C-N 3.31Å; I60-Y62 PolarHBondContact O-N 2.81Å; Y62-A64 VanDerWaalsContact C-N 3.34Å; Y62-A64 PolarHBondContact O-N 2.85Å; Y62-M65 PolarHBondContact O-N 3.42Å; Y62-L66 HydrophobicContact CD1-CD1 4.15Å; Y62-L66 HydrophobicContact CE1-CD1 3.54Å; Y62-L66 HydrophobicContact CE1-CG 4.46Å; Y62-L66 HydrophobicContact CE2-CD1 4.32Å; Y62-L66 WeakPolarHBondContact O-CG 3.48Å; Y62-L66 PolarHBondContact O-N 3.09Å; Y62-L66 VanDerWaalsContact O-N 3.11Å
63	Y	94.5	Very high	92.8	Very high	67 Å²	67	73.4 Å²	73.4	26%	0.263	38%	0.379	S	S	.	.	H	α-helix	trans	-65	-37.9	177.1	-74.6	-57.3	0	0	0	112.7	Q35 I38 R39 E59 I60 L66 A67	Q35-Y63 HydrophobicContact CG-CD2 3.85Å; Q35-Y63 HydrophobicContact CG-CE2 3.97Å; I38-Y63 VanDerWaalsContact CG2-C 3.48Å; I38-Y63 WeakPolarHBondContact CG2-O 3.33Å; R39-Y63 HydrophobicContact CG-CD1 4.34Å; R39-Y63 HydrophobicContact CG-CE1 4.5Å; E59-Y63 HydrophobicContact CG-CD2 3.92Å; E59-Y63 HydrophobicContact CG-CE2 3.5Å; E59-Y63 WeakPolarHBondContact O-CD2 3.22Å; E59-Y63 PolarHBondContact O-N 2.7Å; E59-Y63 VanDerWaalsContact O-N 3.09Å; I60-Y63 PolarHBondContact O-N 3.42Å; Y63-L66 PolarHBondContact O-N 3.34Å; Y63-A67 WeakPolarHBondContact O-CB 3.42Å; Y63-A67 PolarHBondContact O-N 3.47Å
64	A	93.2	Very high	92.7	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.9	-39.6	177.8	0	0	0	0	0	111.4	I60 E61 Y62 A67 K68 T69 V71	I60-A64 VanDerWaalsContact O-CB 3.25Å; I60-A64 WeakPolarHBondContact O-CB 3.46Å; I60-A64 PolarHBondContact O-N 2.87Å; E61-A64 PolarHBondContact O-N 3.31Å; Y62-A64 VanDerWaalsContact C-N 3.34Å; Y62-A64 PolarHBondContact O-N 2.85Å; A64-A67 CarbonylContact O-C 3.56Å; A64-A67 PolarHBondContact O-N 3.32Å; A64-K68 PolarHBondContact O-N 3.11Å; A64-T69 PolarHBondContact O-N 3.47Å; A64-V71 HydrophobicContact CB-CG2 3.34Å
65	M	92.8	Very high	92.6	Very high	153 Å²	153	70.3 Å²	70.3	75%	0.754	35%	0.354	S	S	*	.	H	α-helix	trans	-60.2	-47.9	174	-179.5	-176.4	-101.6	0	0	111.4	E61 Y62 A67 K68	E61-M65 WeakPolarHBondContact O-CB 3.37Å; E61-M65 PolarHBondContact O-N 3.45Å; Y62-M65 PolarHBondContact O-N 3.42Å; M65-A67 VanDerWaalsContact C-N 3.32Å; M65-A67 PolarHBondContact O-N 3.35Å; M65-K68 PolarHBondContact O-N 2.83Å
66	L	91.2	Very high	92.4	Very high	109 Å²	109	63.9 Å²	63.9	57%	0.571	32%	0.321	S	S	*	.	H	α-helix	trans	-61.7	-39.6	177.2	-69.1	177.3	0	0	0	112.4	Y62 Y63 K68	Y62-L66 HydrophobicContact CD1-CD1 4.15Å; Y62-L66 HydrophobicContact CE1-CD1 3.54Å; Y62-L66 HydrophobicContact CE1-CG 4.46Å; Y62-L66 HydrophobicContact CE2-CD1 4.32Å; Y62-L66 WeakPolarHBondContact O-CG 3.48Å; Y62-L66 PolarHBondContact O-N 3.09Å; Y62-L66 VanDerWaalsContact O-N 3.11Å; Y63-L66 PolarHBondContact O-N 3.34Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.16Å
67	A	91.1	Very high	92.5	Very high	38 Å²	38	61.8 Å²	61.8	31%	0.314	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	3.1	179.6	0	0	0	0	0	113.7	I38 Y63 A64 M65 T69	I38-A67 HydrophobicContact CG2-CB 3.79Å; Y63-A67 WeakPolarHBondContact O-CB 3.42Å; Y63-A67 PolarHBondContact O-N 3.47Å; A64-A67 CarbonylContact O-C 3.56Å; A64-A67 PolarHBondContact O-N 3.32Å; M65-A67 VanDerWaalsContact C-N 3.32Å; M65-A67 PolarHBondContact O-N 3.35Å; A67-T69 WeakPolarHBondContact CB-OG1 3.41Å; A67-T69 PolarHBondContact O-N 3.28Å; A67-T69 VanDerWaalsContact O-N 3.13Å; A67-T69 PolarHBondContact O-OG1 3.28Å
68	K	90.6	Very high	92.6	Very high	198 Å²	198	59.6 Å²	59.6	86%	0.861	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	35.7	-173	-57.9	-179.1	-179.8	-179.6	0	113	A64 M65 L66	A64-K68 PolarHBondContact O-N 3.11Å; M65-K68 PolarHBondContact O-N 2.83Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.16Å
69	T	91.3	Very high	92.6	Very high	14 Å²	14	61.6 Å²	61.6	9%	0.086	31%	0.313	C	S	.	.			trans	-89.2	136.5	179	-54.3	0	0	0	0	109.5	A43 V46 A64 A67	A43-T69 HydrophobicContact CB-CG2 3.92Å; A43-T69 WeakPolarHBondContact O-CG2 3.25Å; A43-T69 PolarHBondContact O-OG1 3.48Å; V46-T69 HydrophobicContact CG2-CG2 3.81Å; A64-T69 PolarHBondContact O-N 3.47Å; A67-T69 WeakPolarHBondContact CB-OG1 3.41Å; A67-T69 PolarHBondContact O-N 3.28Å; A67-T69 VanDerWaalsContact O-N 3.13Å; A67-T69 PolarHBondContact O-OG1 3.28Å
70	G	90.6	Very high	92.6	Very high	31 Å²	31	62.4 Å²	62.4	32%	0.32	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	143.3	176	0	0	0	0	0	111.7	K44 L45 V46	K44-G70 PolarHBondContact O-N 3.31Å; L45-G70 CarbonylContact C-O 3.37Å; L45-G70 WeakPolarHBondContact CA-O 3.33Å; L45-G70 WeakPolarHBondContact CD1-O 3.42Å; V46-G70 PolarHBondContact N-O 3.48Å
71	V	92.5	Very high	92.5	Very high	38 Å²	38	62.4 Å²	62.4	23%	0.23	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.4	175.2	-177.7	0	0	0	0	109.3	V46 L48 E61 A64	V46-V71 CarbonylContact O-C 3.5Å; V46-V71 WeakPolarHBondContact O-CA 3.48Å; L48-V71 HydrophobicContact CD1-CG1 3.89Å; E61-V71 HydrophobicContact CG-CG1 4.31Å; A64-V71 HydrophobicContact CB-CG2 3.34Å
72	H	91.6	Very high	92.6	Very high	43 Å²	43	59.8 Å²	59.8	20%	0.199	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.9	174.9	-173.6	82.8	0	0	0	111.1	I14 L45 V46 I47 L48 Y74 M108	I14-H72 WeakPolarHBondContact CD1-CD2 3.46Å; I14-H72 WeakPolarHBondContact CD1-NE2 3.19Å; L45-H72 HydrophobicContact CD1-CB 4.17Å; V46-H72 PolarHBondContact O-N 3.26Å; I47-H72 WeakPolarHBondContact CA-O 3.48Å; I47-H72 HydrophobicContact CG1-CB 4.29Å; L48-H72 PolarHBondContact N-O 3.1Å; H72-Y74 PolarHBondContact O-N 3.48Å; H72-M108 HydrophobicContact CB-CE 4.35Å; H72-M108 HydrophobicContact CB-SD 4.16Å
73	H	91.5	Very high	92.5	Very high	90 Å²	90	57.6 Å²	57.6	42%	0.417	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	105.7	172.4	-60.4	-54.7	0	0	0	110	E61 S75	E61-H73 IonicContact OE1-CE1 2.98Å; E61-H73 PolarHBondContact OE1-CE1 3.43Å; E61-H73 IonicContact OE1-ND1 3.37Å; E61-H73 IonicContact OE1-NE2 3.06Å; H73-S75 PolarHBondContact O-N 3.37Å
74	Y	91.4	Very high	92.4	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.3	174.5	-175.3	-111.1	0	0	0	109.5	M11 I14 N15 L48 N50 H72 G76 E80 L81	M11-Y74 HydrophobicContact CE-CE1 4.28Å; M11-Y74 WeakPolarHBondContact CE-OH 3.48Å; M11-Y74 HydrophobicContact CG-CE2 4.41Å; I14-Y74 HydrophobicContact CG2-CD2 4.06Å; I14-Y74 HydrophobicContact CG2-CE2 3.85Å; N15-Y74 PolarHBondContact ND2-OH 3.26Å; N15-Y74 VanDerWaalsContact OD1-CE2 3.26Å; N15-Y74 WeakPolarHBondContact OD1-CE2 3.44Å; N15-Y74 PolarHBondContact OD1-OH 2.82Å; L48-Y74 WeakPolarHBondContact O-CB 3.24Å; L48-Y74 PolarHBondContact O-N 3.07Å; N50-Y74 PolarHBondContact N-O 2.99Å; H72-Y74 PolarHBondContact O-N 3.48Å; Y74-G76 VanDerWaalsContact CD1-N 3.32Å; Y74-G76 WeakPolarHBondContact CD1-O 3.39Å; Y74-G76 PolarHBondContact O-N 2.99Å; Y74-E80 HydrophobicContact CE1-CB 4.18Å; Y74-L81 HydrophobicContact CD1-CB 3.87Å; Y74-L81 HydrophobicContact CD1-CD1 4.02Å; Y74-L81 HydrophobicContact CD1-CG 4.38Å; Y74-L81 HydrophobicContact CD2-CD1 4.32Å; Y74-L81 HydrophobicContact CE1-CB 3.88Å; Y74-L81 HydrophobicContact CE1-CD1 4.26Å; Y74-L81 HydrophobicContact CG-CD1 4.04Å
75	S	89.3	Confident	92.4	Very high	65 Å²	65	55 Å²	55	46%	0.455	30%	0.298	S	S	.	.	S	Bend	trans	-64.3	-25.6	-177.9	-174.6	0	0	0	0	113.2	N50 H73	N50-S75 PolarHBondContact ND2-O 3.34Å; H73-S75 PolarHBondContact O-N 3.37Å
76	G	90.7	Very high	92.3	Very high	4 Å²	4	50.3 Å²	50.3	4%	0.041	29%	0.289	C	S	.	.	S	Bend	trans	-85.4	170.9	-178	0	0	0	0	0	114.3	N50 Y74 E80	N50-G76 VanDerWaalsContact CB-O 3.31Å; N50-G76 WeakPolarHBondContact CB-O 3.25Å; N50-G76 PolarHBondContact N-O 3.42Å; Y74-G76 VanDerWaalsContact CD1-N 3.32Å; Y74-G76 WeakPolarHBondContact CD1-O 3.39Å; Y74-G76 PolarHBondContact O-N 2.99Å; G76-E80 WeakPolarHBondContact CA-OE2 3.19Å
77	N	94.6	Very high	92.5	Very high	53 Å²	53	47.8 Å²	47.8	28%	0.283	27%	0.274	S	S	.	.			trans	-80.7	174.8	177.2	68.4	39.2	0	0	0	112.2	I79 E80 L81	N77-I79 VanDerWaalsContact C-N 3.26Å; N77-I79 PolarHBondContact O-N 3.31Å; N77-I79 WeakPolarHBondContact OD1-CA 3.26Å; N77-I79 WeakPolarHBondContact OD1-CB 3.39Å; N77-I79 PolarHBondContact OD1-N 3.27Å; N77-E80 PolarHBondContact N-OE2 2.93Å; N77-E80 VanDerWaalsContact N-OE2 3.15Å; N77-E80 PolarHBondContact ND2-OE1 2.88Å; N77-E80 PolarHBondContact O-N 3.3Å; N77-E80 WeakPolarHBondContact OD1-CG 3.44Å; N77-E80 PolarHBondContact OD1-N 3.21Å; N77-L81 PolarHBondContact O-N 2.82Å
78	N	94.8	Very high	92.6	Very high	23 Å²	23	57.4 Å²	57.4	12%	0.123	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-20.6	179.9	61.1	-4.3	0	0	0	115.3	A49 N51 G82 R90 V91	A49-N78 HydrophobicContact CB-CB 4.1Å; N51-N78 PolarHBondContact ND2-OD1 2.87Å; N51-N78 WeakPolarHBondContact OD1-CB 3.47Å; N51-N78 PolarHBondContact OD1-N 2.9Å; N78-G82 PolarHBondContact O-N 2.98Å; N78-R90 HydrophobicContact CB-CB 4.4Å; N78-R90 WeakPolarHBondContact O-CA 3.21Å; N78-V91 WeakPolarHBondContact CA-O 3.48Å; N78-V91 WeakPolarHBondContact CB-O 3.36Å; N78-V91 PolarHBondContact O-N 2.9Å
79	I	95.4	Very high	92.8	Very high	107 Å²	107	54.2 Å²	54.2	55%	0.549	29%	0.287	S	S	.	.	H	α-helix	trans	-77.2	-47	174.3	-59.7	171.8	0	0	0	109.1	N77 L81 G82 T83	N77-I79 VanDerWaalsContact C-N 3.26Å; N77-I79 PolarHBondContact O-N 3.31Å; N77-I79 WeakPolarHBondContact OD1-CA 3.26Å; N77-I79 WeakPolarHBondContact OD1-CB 3.39Å; N77-I79 PolarHBondContact OD1-N 3.27Å; I79-L81 VanDerWaalsContact C-N 3.35Å; I79-L81 PolarHBondContact O-N 3.49Å; I79-G82 PolarHBondContact O-N 2.94Å; I79-T83 WeakPolarHBondContact O-CB 3.18Å; I79-T83 PolarHBondContact O-N 2.88Å; I79-T83 PolarHBondContact O-OG1 2.05Å
80	E	93.6	Very high	92.9	Very high	80 Å²	80	62.9 Å²	62.9	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-42.1	176.6	-69.8	166.8	-168	0	0	111.3	M11 Y74 G76 N77 T83 A84	M11-E80 WeakPolarHBondContact CE-OE2 3.47Å; Y74-E80 HydrophobicContact CE1-CB 4.18Å; G76-E80 WeakPolarHBondContact CA-OE2 3.19Å; N77-E80 PolarHBondContact N-OE2 2.93Å; N77-E80 VanDerWaalsContact N-OE2 3.15Å; N77-E80 PolarHBondContact ND2-OE1 2.88Å; N77-E80 PolarHBondContact O-N 3.3Å; N77-E80 WeakPolarHBondContact OD1-CG 3.44Å; N77-E80 PolarHBondContact OD1-N 3.21Å; E80-T83 PolarHBondContact O-N 2.92Å; E80-A84 WeakPolarHBondContact O-CB 3.39Å; E80-A84 PolarHBondContact O-N 3.24Å
81	L	93.4	Very high	93.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-42.9	175.8	-176	59.3	0	0	0	111.5	L18 I47 A49 Y74 N77 I79 T83 A84 C85 V91	L18-L81 HydrophobicContact CD1-CD1 4.08Å; I47-L81 HydrophobicContact CG2-CD1 4.07Å; I47-L81 HydrophobicContact CG2-CD2 4.34Å; A49-L81 HydrophobicContact CB-CD2 3.98Å; Y74-L81 HydrophobicContact CD1-CB 3.87Å; Y74-L81 HydrophobicContact CD1-CD1 4.02Å; Y74-L81 HydrophobicContact CD1-CG 4.38Å; Y74-L81 HydrophobicContact CD2-CD1 4.32Å; Y74-L81 HydrophobicContact CE1-CB 3.88Å; Y74-L81 HydrophobicContact CE1-CD1 4.26Å; Y74-L81 HydrophobicContact CG-CD1 4.04Å; N77-L81 PolarHBondContact O-N 2.82Å; I79-L81 VanDerWaalsContact C-N 3.35Å; I79-L81 PolarHBondContact O-N 3.49Å; L81-T83 VanDerWaalsContact C-N 3.32Å; L81-T83 PolarHBondContact O-N 3.34Å; L81-A84 PolarHBondContact O-N 3.17Å; L81-C85 PolarHBondContact O-N 2.93Å; L81-C85 PolarHBondContact O-SG 2.91Å; L81-V91 HydrophobicContact CD2-CG1 4.4Å
82	G	94.4	Very high	93.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-45	174.6	0	0	0	0	0	112	N78 I79 C85 G86 K87	N78-G82 PolarHBondContact O-N 2.98Å; I79-G82 PolarHBondContact O-N 2.94Å; G82-C85 CarbonylContact O-C 3.48Å; G82-C85 WeakPolarHBondContact O-CB 3.35Å; G82-C85 PolarHBondContact O-N 3.4Å; G82-C85 VanDerWaalsContact O-N 3.16Å; G82-G86 PolarHBondContact O-N 3.47Å; G82-K87 CarbonylContact C-O 3.58Å; G82-K87 PolarHBondContact O-N 2.87Å
83	T	94	Very high	93.3	Very high	92 Å²	92	58.5 Å²	58.5	56%	0.564	29%	0.289	S	S	*	.	H	α-helix	trans	-64.2	-43.4	177.6	-53.4	0	0	0	0	111.7	I79 E80 L81 C85 G86	I79-T83 WeakPolarHBondContact O-CB 3.18Å; I79-T83 PolarHBondContact O-N 2.88Å; I79-T83 PolarHBondContact O-OG1 2.05Å; E80-T83 PolarHBondContact O-N 2.92Å; L81-T83 VanDerWaalsContact C-N 3.32Å; L81-T83 PolarHBondContact O-N 3.34Å; T83-C85 PolarHBondContact O-N 2.93Å; T83-G86 WeakPolarHBondContact O-CA 3.02Å; T83-G86 PolarHBondContact O-N 2.99Å
84	A	92	Very high	93.5	Very high	9 Å²	9	54.2 Å²	54.2	7%	0.074	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-31	175.2	0	0	0	0	0	112.3	N15 L18 E80 L81 G86	N15-A84 HydrophobicContact CB-CB 4.49Å; N15-A84 WeakPolarHBondContact OD1-CB 3.21Å; L18-A84 HydrophobicContact CD1-CB 4.38Å; E80-A84 WeakPolarHBondContact O-CB 3.39Å; E80-A84 PolarHBondContact O-N 3.24Å; L81-A84 PolarHBondContact O-N 3.17Å; A84-G86 VanDerWaalsContact C-N 3.26Å; A84-G86 PolarHBondContact O-N 2.7Å
85	C	92.7	Very high	93.7	Very high	3 Å²	3	54 Å²	54	2%	0.02	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	1.8	172.9	-60.1	0	0	0	0	113.8	M22 L29 L81 G82 T83 K87	M22-C85 HydrophobicContact CE-CB 4.12Å; M22-C85 HydrophobicContact CG-CB 4.25Å; M22-C85 WeakPolarHBondContact CG-O 3.31Å; M22-C85 HydrophobicContact SD-CB 3.77Å; L29-C85 HydrophobicContact CD2-CB 4.49Å; L81-C85 PolarHBondContact O-N 2.93Å; L81-C85 PolarHBondContact O-SG 2.91Å; G82-C85 CarbonylContact O-C 3.48Å; G82-C85 WeakPolarHBondContact O-CB 3.35Å; G82-C85 PolarHBondContact O-N 3.4Å; G82-C85 VanDerWaalsContact O-N 3.16Å; T83-C85 PolarHBondContact O-N 2.93Å; C85-K87 VanDerWaalsContact C-N 3.34Å; C85-K87 HydrophobicContact CB-CG 4.2Å; C85-K87 PolarHBondContact O-N 3.48Å
86	G	92.5	Very high	94	Very high	56 Å²	56	51 Å²	51	58%	0.577	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	27.6	-176.7	0	0	0	0	0	114.1	G82 T83 A84	G82-G86 PolarHBondContact O-N 3.47Å; T83-G86 WeakPolarHBondContact O-CA 3.02Å; T83-G86 PolarHBondContact O-N 2.99Å; A84-G86 VanDerWaalsContact C-N 3.26Å; A84-G86 PolarHBondContact O-N 2.7Å
87	K	93.9	Very high	94.2	Very high	56 Å²	56	52.6 Å²	52.6	24%	0.243	25%	0.254	C	S	.	.			trans	-110.5	139.3	179.2	-53.7	-55.8	178.4	-166.3	0	110.8	Y27 L29 G82 C85 Y89	Y27-K87 PolarHBondContact OH-NZ 3.32Å; L29-K87 HydrophobicContact CD1-CD 4.13Å; L29-K87 HydrophobicContact CD1-CG 3.77Å; G82-K87 CarbonylContact C-O 3.58Å; G82-K87 PolarHBondContact O-N 2.87Å; C85-K87 VanDerWaalsContact C-N 3.34Å; C85-K87 HydrophobicContact CB-CG 4.2Å; C85-K87 PolarHBondContact O-N 3.48Å; K87-Y89 HydrophobicContact CB-CD1 4.1Å; K87-Y89 HydrophobicContact CB-CD2 4.48Å; K87-Y89 HydrophobicContact CB-CE1 3.87Å; K87-Y89 HydrophobicContact CB-CE2 4.25Å; K87-Y89 HydrophobicContact CB-CG 4.4Å; K87-Y89 HydrophobicContact CD-CE1 4.18Å; K87-Y89 HydrophobicContact CG-CE1 4.16Å; K87-Y89 HydrophobicContact CG-CE2 4.42Å; K87-Y89 PolarHBondContact O-N 3.23Å
88	Y	92.9	Very high	94.2	Very high	240 Å²	240	52.8 Å²	52.8	94%	0.941	26%	0.255	S	S	*	.	S	Bend	trans	-84.1	15.9	176.2	-58.2	-74.8	0	0	0	113.6
89	Y	95.1	Very high	94.1	Very high	130 Å²	130	52.7 Å²	52.7	51%	0.51	26%	0.256	S	S	.	.	S	Bend	trans	-132.1	155.8	177.7	59.4	-99.8	0	0	0	110.8	L29 K87 V91	L29-Y89 HydrophobicContact CD1-CE2 4.49Å; L29-Y89 VanDerWaalsContact CD1-OH 3.3Å; L29-Y89 WeakPolarHBondContact CD1-OH 3.28Å; K87-Y89 HydrophobicContact CB-CD1 4.1Å; K87-Y89 HydrophobicContact CB-CD2 4.48Å; K87-Y89 HydrophobicContact CB-CE1 3.87Å; K87-Y89 HydrophobicContact CB-CE2 4.25Å; K87-Y89 HydrophobicContact CB-CG 4.4Å; K87-Y89 HydrophobicContact CD-CE1 4.18Å; K87-Y89 HydrophobicContact CG-CE1 4.16Å; K87-Y89 HydrophobicContact CG-CE2 4.42Å; K87-Y89 PolarHBondContact O-N 3.23Å; Y89-V91 HydrophobicContact CD2-CG2 3.92Å; Y89-V91 HydrophobicContact CE2-CG2 3.68Å
90	R	94.7	Very high	94	Very high	196 Å²	196	49 Å²	49	74%	0.74	24%	0.244	S	C	*	.			trans	-66.5	135.2	-179.4	61	-179.9	-179.2	172.7	-2.1	112.3	N78	N78-R90 HydrophobicContact CB-CB 4.4Å; N78-R90 WeakPolarHBondContact O-CA 3.21Å
91	V	94.5	Very high	93.8	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.024	26%	0.262	C	S	.	.			trans	-126.4	120.9	178	179.2	0	0	0	0	109.5	L29 N78 L81 Y89 T93	L29-V91 HydrophobicContact CD2-CG1 3.7Å; L29-V91 HydrophobicContact CD2-CG2 4.15Å; N78-V91 WeakPolarHBondContact CA-O 3.48Å; N78-V91 WeakPolarHBondContact CB-O 3.36Å; N78-V91 PolarHBondContact O-N 2.9Å; L81-V91 HydrophobicContact CD2-CG1 4.4Å; Y89-V91 HydrophobicContact CD2-CG2 3.92Å; Y89-V91 HydrophobicContact CE2-CG2 3.68Å; V91-T93 WeakPolarHBondContact CG1-O 3.5Å
92	C	93.9	Very high	93.8	Very high	17 Å²	17	52.3 Å²	52.3	12%	0.115	27%	0.265	C	S	.	.	S	Bend	trans	-92.6	-34.2	179.5	-148.9	0	0	0	0	112.5	A49 C52	A49-C92 PolarHBondContact N-O 2.82Å; C52-C92 WeakPolarHBondContact CA-SG 3.28Å; C52-C92 HydrophobicContact CB-CB 4.44Å; C52-C92 WeakPolarHBondContact CB-SG 3.06Å; C52-C92 WeakPolarHBondContact SG-CB 3.34Å; C52-C92 CovalentContact SG-SG 2.05Å; C52-C92 PolarHBondContact SG-SG 3.48Å
93	T	94.9	Very high	93.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	133.6	-171.6	-46.3	0	0	0	0	108.2	G30 V46 I47 L48 I60 V91	G30-T93 WeakPolarHBondContact CA-O 3.33Å; G30-T93 PolarHBondContact N-O 3.47Å; V46-T93 HydrophobicContact CG1-CG2 4.01Å; I47-T93 WeakPolarHBondContact O-CA 3.43Å; L48-T93 HydrophobicContact CD2-CG2 3.73Å; I60-T93 HydrophobicContact CD1-CG2 4.36Å; I60-T93 HydrophobicContact CG1-CG2 4.32Å; I60-T93 HydrophobicContact CG2-CG2 4.41Å; V91-T93 WeakPolarHBondContact CG1-O 3.5Å
94	L	95	Very high	93.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134	175.2	162.5	61	0	0	0	107.9	L18 M22 Y27 V28 L29 V46 I47 I96	L18-L94 HydrophobicContact CD2-CD2 3.52Å; M22-L94 HydrophobicContact CE-CD1 4.3Å; M22-L94 HydrophobicContact CE-CD2 3.71Å; Y27-L94 HydrophobicContact CD2-CD1 3.97Å; Y27-L94 HydrophobicContact CG-CD1 4.27Å; V28-L94 WeakPolarHBondContact O-CD1 3.44Å; L29-L94 HydrophobicContact CD2-CB 4.13Å; L29-L94 HydrophobicContact CD2-CD1 3.56Å; L29-L94 HydrophobicContact CD2-CD2 4.47Å; L29-L94 HydrophobicContact CD2-CG 4.25Å; L29-L94 HydrophobicContact CG-CD1 4.28Å; V46-L94 CarbonylContact C-O 3.55Å; V46-L94 WeakPolarHBondContact CA-O 3.5Å; I47-L94 HydrophobicContact CB-CB 4.4Å; I47-L94 HydrophobicContact CD1-CD2 4.21Å; I47-L94 PolarHBondContact N-O 3.23Å; I47-L94 PolarHBondContact O-N 3.43Å; L94-I96 HydrophobicContact CG-CG1 4.35Å
95	A	95.9	Very high	92.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.9	168.5	0	0	0	0	0	110.3	Y27 V28 S34 A43 L45 V46	Y27-A95 CarbonylContact C-O 3.53Å; Y27-A95 WeakPolarHBondContact CA-O 3.12Å; V28-A95 HydrophobicContact CG2-CB 3.75Å; V28-A95 PolarHBondContact N-O 3.17Å; V28-A95 PolarHBondContact O-N 3.04Å; S34-A95 PolarHBondContact OG-N 3.29Å; A43-A95 HydrophobicContact CB-CB 4.18Å; L45-A95 WeakPolarHBondContact O-CA 3.44Å; V46-A95 HydrophobicContact CG2-CB 4.26Å
96	I	95.4	Very high	91.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.8	177.2	-60	172.9	0	0	0	107.2	V21 K44 L45 I47 L94 I104	V21-I96 HydrophobicContact CG1-CD1 4.28Å; V21-I96 HydrophobicContact CG1-CG1 4.2Å; V21-I96 HydrophobicContact CG1-CG2 4.03Å; V21-I96 HydrophobicContact CG2-CD1 4.31Å; K44-I96 PolarHBondContact N-O 3.15Å; L45-I96 HydrophobicContact CB-CB 4.3Å; L45-I96 HydrophobicContact CD2-CD1 3.94Å; L45-I96 HydrophobicContact CG-CD1 4.35Å; L45-I96 PolarHBondContact N-O 3.4Å; L45-I96 PolarHBondContact O-N 3.17Å; I47-I96 HydrophobicContact CD1-CD1 3.73Å; L94-I96 HydrophobicContact CG-CG1 4.35Å; I96-I104 HydrophobicContact CD1-CD1 3.82Å; I96-I104 HydrophobicContact CD1-CG2 4.05Å
97	I	95.1	Very high	90.1	Very high	38 Å²	38	64 Å²	64	20%	0.195	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-43.1	178.2	-61.2	165.4	0	0	0	108.9	K26 V28 M37 K42 K44	K26-I97 HydrophobicContact CB-CB 4.24Å; K26-I97 WeakPolarHBondContact O-CB 3.15Å; K26-I97 PolarHBondContact O-N 2.96Å; V28-I97 HydrophobicContact CG1-CD1 3.92Å; M37-I97 HydrophobicContact CE-CD1 3.92Å; M37-I97 HydrophobicContact CG-CD1 4.01Å; M37-I97 HydrophobicContact CG-CG1 4.38Å; M37-I97 HydrophobicContact SD-CD1 3.92Å; K42-I97 HydrophobicContact CB-CG2 4.42Å; K44-I97 VanDerWaalsContact CD-O 3.24Å; K44-I97 WeakPolarHBondContact CD-O 3.4Å; K44-I97 WeakPolarHBondContact CE-O 3.36Å; K44-I97 WeakPolarHBondContact CG-O 2.93Å
98	D	93.9	Very high	88.3	Confident	58 Å²	58	63.3 Å²	63.3	31%	0.31	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	119.9	179.1	-165.4	-9.7	0	0	0	109.3	G25 K26 G100	G25-D98 CarbonylContact C-O 3.54Å; G25-D98 WeakPolarHBondContact CA-O 3.47Å; K26-D98 HydrophobicContact CB-CB 3.78Å; K26-D98 HydrophobicContact CD-CB 4.37Å; K26-D98 HydrophobicContact CG-CB 4.12Å; K26-D98 PolarHBondContact N-O 3.25Å; K26-D98 PolarHBondContact O-N 3.45Å; D98-G100 PolarHBondContact O-N 2.91Å; D98-G100 PolarHBondContact OD1-N 3.33Å
99	P	92.1	Very high	85.9	Confident	20 Å²	20	56.3 Å²	56.3	13%	0.13	28%	0.277	C	S	.	.			trans	-69.4	-15.7	179.3	31.1	-38.7	0	0	0	113.5	D101 S102 I104 I105	P99-D101 PolarHBondContact O-N 3.25Å; P99-S102 VanDerWaalsContact O-CB 3.25Å; P99-S102 WeakPolarHBondContact O-CB 3.31Å; P99-S102 PolarHBondContact O-N 3.29Å; P99-I104 HydrophobicContact CB-CG2 4.12Å; P99-I105 HydrophobicContact CB-CD1 3.89Å; P99-I105 HydrophobicContact CB-CG1 4.11Å; P99-I105 HydrophobicContact CG-CD1 3.7Å; P99-I105 HydrophobicContact CG-CG1 4.32Å
100	G	93.6	Very high	83.4	Confident	30 Å²	30	58.2 Å²	58.2	31%	0.309	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	-131.9	-169.3	0	0	0	0	0	110.3	D98 S102	D98-G100 PolarHBondContact O-N 2.91Å; D98-G100 PolarHBondContact OD1-N 3.33Å; G100-S102 PolarHBondContact O-N 3.04Å
101	D	90.5	Very high	80.9	Confident	138 Å²	138	53.9 Å²	53.9	74%	0.738	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	3.6	179.7	-41.2	-50.7	0	0	0	113.5	L20 S24 P99	L20-D101 VanDerWaalsContact CD2-C 3.41Å; L20-D101 HydrophobicContact CD2-CB 3.68Å; S24-D101 PolarHBondContact OG-N 2.94Å; P99-D101 PolarHBondContact O-N 3.25Å
102	S	91.6	Very high	78	Confident	11 Å²	11	62.8 Å²	62.8	8%	0.077	33%	0.326	C	S	.	.			trans	-81.5	134.4	-175.6	-170.6	0	0	0	0	111.7	R17 L20 V21 P99 G100 I104	R17-S102 PolarHBondContact O-OG 3.3Å; L20-S102 VanDerWaalsContact CD2-N 3.33Å; V21-S102 VanDerWaalsContact CG2-CB 3.4Å; P99-S102 VanDerWaalsContact O-CB 3.25Å; P99-S102 WeakPolarHBondContact O-CB 3.31Å; P99-S102 PolarHBondContact O-N 3.29Å; G100-S102 PolarHBondContact O-N 3.04Å; S102-I104 PolarHBondContact O-N 3.42Å; S102-I104 PolarHBondContact OG-N 3.15Å
103	D	88.1	Confident	75.4	Confident	72 Å²	72	69.1 Å²	69.1	39%	0.385	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	10.2	174.2	70.3	-37.9	0	0	0	113.2	R17 I105 R106 S107	R17-D103 WeakPolarHBondContact CD-OD1 3.32Å; R17-D103 VanDerWaalsContact CG-OD1 3.28Å; R17-D103 WeakPolarHBondContact CG-OD1 3.4Å; R17-D103 IonicContact CZ-OD2 2.88Å; R17-D103 VanDerWaalsContact NE-CG 3.34Å; R17-D103 IonicContact NE-OD1 3.56Å; R17-D103 PolarHBondContact NE-OD1 3.16Å; R17-D103 IonicContact NE-OD2 3.86Å; R17-D103 PolarHBondContact NE-OD2 2.87Å; R17-D103 IonicContact NH2-OD2 2.99Å; R17-D103 PolarHBondContact NH2-OD2 3.16Å; D103-I105 PolarHBondContact O-N 3.33Å; D103-I105 VanDerWaalsContact O-N 3.08Å; D103-R106 PolarHBondContact O-N 2.97Å; D103-S107 PolarHBondContact O-N 2.94Å
104	I	88.2	Confident	72.3	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.6	-172.3	-160.2	165.3	0	0	0	113.9	I14 R17 L18 V21 L45 I47 I96 P99 S102 S107 M108	I14-I104 HydrophobicContact CG1-CD1 4.3Å; R17-I104 HydrophobicContact CB-CB 4.09Å; R17-I104 HydrophobicContact CB-CD1 4.19Å; R17-I104 HydrophobicContact CB-CG1 4.16Å; L18-I104 HydrophobicContact CD2-CD1 4.19Å; L18-I104 HydrophobicContact CG-CD1 4.02Å; V21-I104 HydrophobicContact CG2-CB 4.44Å; V21-I104 HydrophobicContact CG2-CD1 4.44Å; V21-I104 HydrophobicContact CG2-CG2 3.8Å; L45-I104 HydrophobicContact CD2-CD1 4.34Å; L45-I104 HydrophobicContact CD2-CG1 3.89Å; L45-I104 HydrophobicContact CD2-CG2 4.12Å; I47-I104 HydrophobicContact CD1-CD1 3.91Å; I96-I104 HydrophobicContact CD1-CD1 3.82Å; I96-I104 HydrophobicContact CD1-CG2 4.05Å; P99-I104 HydrophobicContact CB-CG2 4.12Å; S102-I104 PolarHBondContact O-N 3.42Å; S102-I104 PolarHBondContact OG-N 3.15Å; I104-S107 PolarHBondContact O-OG 3.42Å; I104-M108 WeakPolarHBondContact O-CE 2.83Å
105	I	84.6	Confident	69.7	Low	55 Å²	55	83.4 Å²	83.4	28%	0.282	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-35.8	-179.3	-57.3	-175.9	0	0	0	111.7	K44 L45 P99 D103 S107	K44-I105 HydrophobicContact CB-CD1 3.59Å; K44-I105 HydrophobicContact CD-CD1 3.92Å; K44-I105 HydrophobicContact CG-CD1 4.42Å; L45-I105 HydrophobicContact CB-CG1 4.22Å; L45-I105 HydrophobicContact CD2-CG1 4.28Å; P99-I105 HydrophobicContact CB-CD1 3.89Å; P99-I105 HydrophobicContact CB-CG1 4.11Å; P99-I105 HydrophobicContact CG-CD1 3.7Å; P99-I105 HydrophobicContact CG-CG1 4.32Å; D103-I105 PolarHBondContact O-N 3.33Å; D103-I105 VanDerWaalsContact O-N 3.08Å; I105-S107 VanDerWaalsContact C-N 3.28Å; I105-S107 PolarHBondContact O-N 3.14Å
106	R	72.3	Confident	66.7	Low	233 Å²	233	96 Å²	96	88%	0.879	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-24.7	-176.8	-72.2	-180	166.4	-148.7	-3.1	113.1	D103 M108	D103-R106 PolarHBondContact O-N 2.97Å; R106-M108 VanDerWaalsContact C-N 3.27Å; R106-M108 PolarHBondContact O-N 3.33Å
107	S	55.9	Low	65.3	Low	46 Å²	46	100.9 Å²	100.9	32%	0.322	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.9	-177	68.8	0	0	0	0	114.9	R17 D103 I104 I105 P109	R17-S107 VanDerWaalsContact NH1-CB 3.27Å; R17-S107 PolarHBondContact NH1-OG 3.35Å; D103-S107 PolarHBondContact O-N 2.94Å; I104-S107 PolarHBondContact O-OG 3.42Å; I105-S107 VanDerWaalsContact C-N 3.28Å; I105-S107 PolarHBondContact O-N 3.14Å; S107-P109 VanDerWaalsContact O-CD 3.29Å; S107-P109 WeakPolarHBondContact O-CD 3.14Å
108	M	55.3	Low	63.7	Low	42 Å²	42	104.2 Å²	104.2	21%	0.207	53%	0.532	C	S	.	.			trans	-86.6	113.4	174.8	-110.9	150.7	-79.5	0	0	109	L45 H72 I104 R106	L45-M108 HydrophobicContact CD1-CE 3.51Å; L45-M108 HydrophobicContact CD1-SD 3.35Å; L45-M108 WeakPolarHBondContact CD1-SD 3.45Å; L45-M108 HydrophobicContact CD2-CE 3.41Å; L45-M108 VanDerWaalsContact CD2-CE 3.41Å; L45-M108 HydrophobicContact CD2-SD 4.4Å; L45-M108 HydrophobicContact CG-CE 4.11Å; H72-M108 HydrophobicContact CB-CE 4.35Å; H72-M108 HydrophobicContact CB-SD 4.16Å; I104-M108 WeakPolarHBondContact O-CE 2.83Å; R106-M108 VanDerWaalsContact C-N 3.27Å; R106-M108 PolarHBondContact O-N 3.33Å
109	P	44.3	Very low	62	Low	93 Å²	93	106.7 Å²	106.7	60%	0.604	54%	0.544	S	S	*	.			trans	-58.9	147	158.3	26.2	-28.5	0	0	0	107.2	S107 Q111	S107-P109 VanDerWaalsContact O-CD 3.29Å; S107-P109 WeakPolarHBondContact O-CD 3.14Å; P109-Q111 HydrophobicContact CG-CG 4.19Å; P109-Q111 PolarHBondContact O-N 3.5Å
110	D	41.3	Very low	60.3	Low	169 Å²	169	111.8 Å²	111.8	90%	0.904	57%	0.569	S	S	*	*			trans	-53.9	84.6	170	-79.8	-62.3	0	0	0	109.7	Q112	D110-Q112 PolarHBondContact O-N 3.18Å
111	Q	41.4	Very low	58.2	Low	105 Å²	105	116.9 Å²	116.9	49%	0.491	59%	0.585	S	S	.	*			trans	-79.4	77.3	175.3	-75.6	-171.2	-92.8	0	0	107.2	P109 Q113	P109-Q111 HydrophobicContact CG-CG 4.19Å; P109-Q111 PolarHBondContact O-N 3.5Å; Q111-Q113 HydrophobicContact CB-CB 4.49Å; Q111-Q113 VanDerWaalsContact NE2-CD 3.28Å; Q111-Q113 PolarHBondContact O-N 3.31Å
112	Q	35.5	Very low	56	Low	191 Å²	191	115.5 Å²	115.5	89%	0.893	58%	0.575	S	S	*	*			trans	-60	79.6	139	-70.1	178.3	-8.6	0	0	106.9	D110	D110-Q112 PolarHBondContact O-N 3.18Å
113	Q	38.4	Very low	53.5	Low	150 Å²	150	123 Å²	123	70%	0.701	61%	0.61	S	S	*	*			trans	-98.7	112.1	168	-124.9	163.1	20.8	0	0	108	Q111	Q111-Q113 HydrophobicContact CB-CB 4.49Å; Q111-Q113 VanDerWaalsContact NE2-CD 3.28Å; Q111-Q113 PolarHBondContact O-N 3.31Å
114	Q	30.8	Very low	50.8	Low	171 Å²	171	126.9 Å²	126.9	80%	0.799	63%	0.628	S	S	*	*			trans	-44.4	146.2	175.4	-72.8	157.3	-16.9	0	0	111.6	Q116	Q114-Q116 PolarHBondContact O-N 3.24Å
115	P	40	Very low	47.7	Very low	129 Å²	129	137.5 Å²	137.5	84%	0.838	68%	0.68	S	S	*	*			trans	-58.7	128	161.7	27	-30.2	0	0	0	107.9
116	Q	32.6	Very low	44.4	Very low	266 Å²	266	145 Å²	145	100%	1.243	72%	0.716	S	S	*	*			trans	-71.4	0	155	-74.2	-162.4	2.3	0	0	108.9	Q114	Q114-Q116 PolarHBondContact O-N 3.24Å

Retrieved 116 of 116 residues in 255.8 ms (Link to these results)

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