A0A087WZF0_HUMAN Loading...

Pyrroline-5-carboxylate reductase 2

AlphaFold DB , UniProt , Accession A0A087WZF0, Species HUMAN (Homo sapiens, Human), Gene PYCR2, Length 157 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	58.3	Low	86.4	Confident	132 Å²	132	104.5 Å²	104.5	65%	0.65	56%	0.555	S	S	*	*				0	8.9	0	-72.8	-174.6	-161.7	0	0	112.1
2	N	67.8	Low	87.2	Confident	155 Å²	155	108.2 Å²	108.2	83%	0.829	57%	0.57	S	S	*	*			trans	-104.7	25.3	-177.2	-62	-3.5	0	0	0	112.3
3	L	83.8	Confident	88	Confident	110 Å²	110	104.5 Å²	104.5	58%	0.576	57%	0.574	S	S	*	*			trans	-71	138.9	173.4	-66.9	175.2	0	0	0	108.4	T5 V6 S7	L3-T5 PolarHBondContact O-N 3.27Å; L3-V6 HydrophobicContact CB-CB 4.3Å; L3-V6 HydrophobicContact CB-CG2 4Å; L3-V6 HydrophobicContact CD1-CG2 4.38Å; L3-V6 PolarHBondContact O-N 3.45Å; L3-S7 PolarHBondContact O-N 2.72Å; L3-S7 PolarHBondContact O-OG 3.2Å
4	P	85.4	Confident	88.7	Confident	108 Å²	108	101.9 Å²	101.9	70%	0.701	56%	0.563	S	S	*	*	H	α-helix	trans	-54.3	-41.2	178.4	-28	35	0	0	0	112.7	S7 A8	P4-S7 PolarHBondContact O-N 3.39Å; P4-A8 PolarHBondContact O-N 3.1Å
5	T	88.2	Confident	89.2	Confident	98 Å²	98	105.9 Å²	105.9	60%	0.601	58%	0.582	S	S	*	*	H	α-helix	trans	-61	-48.3	177.6	45.8	0	0	0	0	112.8	L3 S7 A8 L9	L3-T5 PolarHBondContact O-N 3.27Å; T5-S7 VanDerWaalsContact C-N 3.27Å; T5-S7 PolarHBondContact O-N 3.13Å; T5-A8 PolarHBondContact O-N 3.08Å; T5-L9 PolarHBondContact O-N 3.5Å; T5-L9 VanDerWaalsContact O-N 3.11Å
6	V	92.6	Very high	89.7	Confident	39 Å²	39	103.8 Å²	103.8	24%	0.236	57%	0.57	C	S	.	*	H	α-helix	trans	-63.5	-36.3	177.8	178.2	0	0	0	0	111.1	L3 R10 L16	L3-V6 HydrophobicContact CB-CB 4.3Å; L3-V6 HydrophobicContact CB-CG2 4Å; L3-V6 HydrophobicContact CD1-CG2 4.38Å; L3-V6 PolarHBondContact O-N 3.45Å; V6-R10 PolarHBondContact O-N 3.04Å; V6-R10 VanDerWaalsContact O-N 3.11Å; V6-L16 HydrophobicContact CG1-CD1 3.64Å; V6-L16 HydrophobicContact CG1-CD2 4.47Å
7	S	93.8	Very high	90.1	Very high	48 Å²	48	101.4 Å²	101.4	34%	0.336	56%	0.559	S	S	.	*	H	α-helix	trans	-68.7	-39.2	178.3	-55.8	0	0	0	0	111.9	L3 P4 T5 R10 K11	L3-S7 PolarHBondContact O-N 2.72Å; L3-S7 PolarHBondContact O-OG 3.2Å; P4-S7 PolarHBondContact O-N 3.39Å; T5-S7 VanDerWaalsContact C-N 3.27Å; T5-S7 PolarHBondContact O-N 3.13Å; S7-R10 PolarHBondContact O-N 3.19Å; S7-K11 WeakPolarHBondContact O-CG 3.32Å; S7-K11 PolarHBondContact O-N 3.14Å
8	A	94.3	Very high	90.4	Very high	50 Å²	50	106.9 Å²	106.9	41%	0.413	57%	0.57	S	S	.	*	H	α-helix	trans	-63.4	-48.1	175.4	0	0	0	0	0	111.7	P4 T5 R10 K11 M12	P4-A8 PolarHBondContact O-N 3.1Å; T5-A8 PolarHBondContact O-N 3.08Å; A8-R10 VanDerWaalsContact C-N 3.31Å; A8-R10 PolarHBondContact O-N 3.34Å; A8-K11 WeakPolarHBondContact O-CB 3.31Å; A8-K11 PolarHBondContact O-N 3.23Å; A8-K11 VanDerWaalsContact O-N 3.08Å; A8-M12 WeakPolarHBondContact O-CG 3.42Å; A8-M12 PolarHBondContact O-N 3.07Å; A8-M12 VanDerWaalsContact O-N 3.1Å
9	L	96.1	Very high	90.8	Very high	73 Å²	73	103.3 Å²	103.3	38%	0.382	55%	0.554	S	S	.	*	H	α-helix	trans	-58.8	-41.4	177.2	-71	172.3	0	0	0	112.5	T5 K11 M12 G13 V14 L16	T5-L9 PolarHBondContact O-N 3.5Å; T5-L9 VanDerWaalsContact O-N 3.11Å; L9-K11 VanDerWaalsContact C-N 3.33Å; L9-K11 PolarHBondContact O-N 3.41Å; L9-M12 WeakPolarHBondContact O-CB 3.48Å; L9-M12 PolarHBondContact O-N 3.08Å; L9-M12 VanDerWaalsContact O-N 3.17Å; L9-G13 PolarHBondContact O-N 3.34Å; L9-V14 HydrophobicContact CB-CB 4.21Å; L9-V14 HydrophobicContact CD2-CG2 4.16Å; L9-V14 WeakPolarHBondContact O-CB 3.49Å; L9-V14 PolarHBondContact O-N 3.01Å; L9-V14 VanDerWaalsContact O-N 3.08Å; L9-L16 HydrophobicContact CB-CD2 4.12Å; L9-L16 HydrophobicContact CD1-CD2 4.36Å
10	R	94.6	Very high	91.2	Very high	148 Å²	148	101.2 Å²	101.2	56%	0.558	54%	0.543	S	S	*	.	H	α-helix	trans	-60.2	-42.4	175.2	-173.1	179.6	-65.7	-148.9	-4.2	112.1	V6 S7 A8 M12 G13 L16	V6-R10 PolarHBondContact O-N 3.04Å; V6-R10 VanDerWaalsContact O-N 3.11Å; S7-R10 PolarHBondContact O-N 3.19Å; A8-R10 VanDerWaalsContact C-N 3.31Å; A8-R10 PolarHBondContact O-N 3.34Å; R10-M12 PolarHBondContact O-N 2.54Å; R10-G13 PolarHBondContact O-N 3.41Å; R10-L16 HydrophobicContact CB-CD1 3.9Å
11	K	96	Very high	91.5	Very high	188 Å²	188	100.2 Å²	100.2	82%	0.817	53%	0.534	S	S	*	.	H	α-helix	trans	-65.6	-29.6	177.8	-71.9	177.7	-179.4	-176.9	0	112.4	S7 A8 L9 G13	S7-K11 WeakPolarHBondContact O-CG 3.32Å; S7-K11 PolarHBondContact O-N 3.14Å; A8-K11 WeakPolarHBondContact O-CB 3.31Å; A8-K11 PolarHBondContact O-N 3.23Å; A8-K11 VanDerWaalsContact O-N 3.08Å; L9-K11 VanDerWaalsContact C-N 3.33Å; L9-K11 PolarHBondContact O-N 3.41Å; K11-G13 PolarHBondContact O-N 3.41Å
12	M	95.9	Very high	93.4	Very high	149 Å²	149	98.6 Å²	98.6	73%	0.734	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.4	173.8	-65.4	174.6	67.1	0	0	113.3	A8 L9 R10 V14	A8-M12 WeakPolarHBondContact O-CG 3.42Å; A8-M12 PolarHBondContact O-N 3.07Å; A8-M12 VanDerWaalsContact O-N 3.1Å; L9-M12 WeakPolarHBondContact O-CB 3.48Å; L9-M12 PolarHBondContact O-N 3.08Å; L9-M12 VanDerWaalsContact O-N 3.17Å; R10-M12 PolarHBondContact O-N 2.54Å; M12-V14 HydrophobicContact CB-CG2 4.26Å
13	G	97.1	Very high	94.9	Very high	61 Å²	61	93.9 Å²	93.9	63%	0.629	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	14.3	-178.1	0	0	0	0	0	114.4	L9 R10 K11	L9-G13 PolarHBondContact O-N 3.34Å; R10-G13 PolarHBondContact O-N 3.41Å; K11-G13 PolarHBondContact O-N 3.41Å
14	V	97.6	Very high	95.6	Very high	68 Å²	68	88.7 Å²	88.7	41%	0.412	47%	0.474	S	S	.	.			trans	-74.4	133	177.2	-179	0	0	0	0	110.1	L9 M12	L9-V14 HydrophobicContact CB-CB 4.21Å; L9-V14 HydrophobicContact CD2-CG2 4.16Å; L9-V14 WeakPolarHBondContact O-CB 3.49Å; L9-V14 PolarHBondContact O-N 3.01Å; L9-V14 VanDerWaalsContact O-N 3.08Å; M12-V14 HydrophobicContact CB-CG2 4.26Å
15	N	97	Very high	96.2	Very high	161 Å²	161	89.8 Å²	89.8	86%	0.861	47%	0.468	S	S	*	.			trans	-68.5	135.4	173.4	-69.4	-36.5	0	0	0	110.7
16	L	97	Very high	96.6	Very high	72 Å²	72	92.6 Å²	92.6	38%	0.377	47%	0.474	S	S	.	.			trans	-121.2	131.9	-175.8	-61.5	170.7	0	0	0	110.4	V6 L9 R10	V6-L16 HydrophobicContact CG1-CD1 3.64Å; V6-L16 HydrophobicContact CG1-CD2 4.47Å; L9-L16 HydrophobicContact CB-CD2 4.12Å; L9-L16 HydrophobicContact CD1-CD2 4.36Å; R10-L16 HydrophobicContact CB-CD1 3.9Å
17	T	96.6	Very high	96.9	Very high	63 Å²	63	92 Å²	92	39%	0.387	47%	0.471	S	S	.	.			trans	-134.7	163.6	171.7	-178.3	0	0	0	0	110.6	S19 E22 T23	T17-S19 WeakPolarHBondContact CG2-O 3.41Å; T17-S19 PolarHBondContact OG1-N 3.29Å; T17-E22 VanDerWaalsContact CB-OE2 3.31Å; T17-E22 WeakPolarHBondContact CB-OE2 3.2Å; T17-E22 HydrophobicContact CG2-CB 4.06Å; T17-E22 PolarHBondContact OG1-OE2 3.03Å; T17-T23 WeakPolarHBondContact CG2-OG1 3.36Å
18	R	95.7	Very high	97.1	Very high	201 Å²	201	94.5 Å²	94.5	76%	0.758	48%	0.481	S	S	*	.	S	Bend	trans	-99.6	-5.6	169	-68.3	179.9	172.2	179.9	-3.9	112.5
19	S	97.9	Very high	97.3	Very high	38 Å²	38	94 Å²	94	27%	0.266	47%	0.473	S	S	.	.			trans	-103.5	115.6	-177.9	-178.5	0	0	0	0	110.3	T17 K21 E22 T23	T17-S19 WeakPolarHBondContact CG2-O 3.41Å; T17-S19 PolarHBondContact OG1-N 3.29Å; S19-K21 PolarHBondContact O-N 3.19Å; S19-E22 PolarHBondContact O-N 2.94Å; S19-E22 VanDerWaalsContact O-N 3.14Å; S19-E22 PolarHBondContact OG-N 2.97Å; S19-T23 PolarHBondContact O-N 3.2Å
20	N	98.3	Very high	97.5	Very high	62 Å²	62	90.9 Å²	90.9	33%	0.332	46%	0.457	S	S	.	.	H	α-helix	trans	-60.9	-32.6	174.9	-63.9	-34	0	0	0	111.2	T23 V24 I42 E45 I46	N20-T23 WeakPolarHBondContact O-CB 3.38Å; N20-T23 PolarHBondContact O-N 2.98Å; N20-V24 VanDerWaalsContact O-CG2 3.25Å; N20-V24 WeakPolarHBondContact O-CG2 3.25Å; N20-V24 PolarHBondContact O-N 3.37Å; N20-I42 WeakPolarHBondContact ND2-CD1 3.41Å; N20-E45 PolarHBondContact ND2-OE2 3.14Å; N20-I46 HydrophobicContact CB-CG2 3.74Å
21	K	98.2	Very high	97.7	Very high	81 Å²	81	87.5 Å²	87.5	35%	0.352	45%	0.446	S	S	.	.	H	α-helix	trans	-65.2	-37	176.4	-58.8	-170.4	173	-156.5	0	112.9	S19 V24 K25 E45 D49	S19-K21 PolarHBondContact O-N 3.19Å; K21-V24 PolarHBondContact O-N 2.96Å; K21-K25 VanDerWaalsContact O-CG 3.31Å; K21-K25 WeakPolarHBondContact O-CG 3.5Å; K21-K25 PolarHBondContact O-N 3.32Å; K21-K25 VanDerWaalsContact O-N 3.08Å; K21-E45 WeakPolarHBondContact CE-O 3.4Å; K21-D49 WeakPolarHBondContact CD-OD2 3.31Å; K21-D49 WeakPolarHBondContact CE-OD2 3.31Å; K21-D49 WeakPolarHBondContact CG-OD2 3.41Å; K21-D49 IonicContact NZ-OD2 3.81Å
22	E	98.3	Very high	97.8	Very high	97 Å²	97	79 Å²	79	45%	0.453	41%	0.409	S	S	.	.	H	α-helix	trans	-64	-45.3	172.2	-74.9	178.7	-172.3	0	0	110.3	T17 S19 V24 K25 H26	T17-E22 VanDerWaalsContact CB-OE2 3.31Å; T17-E22 WeakPolarHBondContact CB-OE2 3.2Å; T17-E22 HydrophobicContact CG2-CB 4.06Å; T17-E22 PolarHBondContact OG1-OE2 3.03Å; S19-E22 PolarHBondContact O-N 2.94Å; S19-E22 VanDerWaalsContact O-N 3.14Å; S19-E22 PolarHBondContact OG-N 2.97Å; E22-V24 VanDerWaalsContact C-N 3.34Å; E22-V24 PolarHBondContact O-N 2.97Å; E22-K25 PolarHBondContact O-N 3.03Å; E22-H26 PolarHBondContact O-N 3.27Å; E22-H26 VanDerWaalsContact O-N 3.13Å; E22-H26 PolarHBondContact O-ND1 2.84Å
23	T	98.5	Very high	97.9	Very high	57 Å²	57	75.9 Å²	75.9	35%	0.35	41%	0.408	S	S	.	.	H	α-helix	trans	-55.5	-49	175.8	-53.1	0	0	0	0	111.3	T17 S19 N20 K25 H26 S27 L30	T17-T23 WeakPolarHBondContact CG2-OG1 3.36Å; S19-T23 PolarHBondContact O-N 3.2Å; N20-T23 WeakPolarHBondContact O-CB 3.38Å; N20-T23 PolarHBondContact O-N 2.98Å; T23-K25 VanDerWaalsContact C-N 3.33Å; T23-K25 PolarHBondContact O-N 3.21Å; T23-H26 PolarHBondContact O-N 3.22Å; T23-H26 VanDerWaalsContact O-N 3.1Å; T23-S27 WeakPolarHBondContact O-CB 3.44Å; T23-S27 PolarHBondContact O-N 3.32Å; T23-S27 VanDerWaalsContact O-N 3.14Å; T23-S27 PolarHBondContact O-OG 2.88Å; T23-L30 HydrophobicContact CG2-CD1 3.99Å
24	V	98.4	Very high	97.9	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.006	39%	0.394	C	S	.	.	H	α-helix	trans	-55.3	-48.6	177.8	177.1	0	0	0	0	110.8	N20 K21 E22 H26 S27 L30 I46 D49 H54	N20-V24 VanDerWaalsContact O-CG2 3.25Å; N20-V24 WeakPolarHBondContact O-CG2 3.25Å; N20-V24 PolarHBondContact O-N 3.37Å; K21-V24 PolarHBondContact O-N 2.96Å; E22-V24 VanDerWaalsContact C-N 3.34Å; E22-V24 PolarHBondContact O-N 2.97Å; V24-H26 PolarHBondContact O-N 3.28Å; V24-S27 PolarHBondContact O-N 3.14Å; V24-L30 HydrophobicContact CG2-CD1 4.47Å; V24-L30 HydrophobicContact CG2-CD2 3.81Å; V24-I46 HydrophobicContact CG2-CB 3.74Å; V24-I46 HydrophobicContact CG2-CD1 3.93Å; V24-I46 HydrophobicContact CG2-CG1 4.32Å; V24-I46 HydrophobicContact CG2-CG2 3.86Å; V24-D49 HydrophobicContact CB-CB 4.45Å; V24-D49 HydrophobicContact CG1-CB 3.93Å; V24-D49 WeakPolarHBondContact CG1-O 3.41Å; V24-H54 PolarHBondContact O-NE2 3.19Å
25	K	97.8	Very high	97.8	Very high	130 Å²	130	79.2 Å²	79.2	57%	0.565	40%	0.404	S	S	*	.	H	α-helix	trans	-62.6	-26.8	-179	-71.3	173.2	-174.2	-178.5	0	114.1	K21 E22 T23 D49 R53	K21-K25 VanDerWaalsContact O-CG 3.31Å; K21-K25 WeakPolarHBondContact O-CG 3.5Å; K21-K25 PolarHBondContact O-N 3.32Å; K21-K25 VanDerWaalsContact O-N 3.08Å; E22-K25 PolarHBondContact O-N 3.03Å; T23-K25 VanDerWaalsContact C-N 3.33Å; T23-K25 PolarHBondContact O-N 3.21Å; K25-D49 WeakPolarHBondContact CE-OD1 3.45Å; K25-R53 PolarHBondContact O-NH2 3.36Å
26	H	97.8	Very high	97.8	Very high	157 Å²	157	74 Å²	74	73%	0.727	38%	0.379	S	S	*	.	H	α-helix	trans	-98.3	1.5	-178.7	-66.1	88.3	0	0	0	113.6	E22 T23 V24	E22-H26 PolarHBondContact O-N 3.27Å; E22-H26 VanDerWaalsContact O-N 3.13Å; E22-H26 PolarHBondContact O-ND1 2.84Å; T23-H26 PolarHBondContact O-N 3.22Å; T23-H26 VanDerWaalsContact O-N 3.1Å; V24-H26 PolarHBondContact O-N 3.28Å
27	S	98.4	Very high	97.8	Very high	26 Å²	26	76.6 Å²	76.6	18%	0.182	39%	0.389	C	S	.	.			trans	-112.2	148.3	-176.7	-66.9	0	0	0	0	111.6	T23 V24 R53 H54	T23-S27 WeakPolarHBondContact O-CB 3.44Å; T23-S27 PolarHBondContact O-N 3.32Å; T23-S27 VanDerWaalsContact O-N 3.14Å; T23-S27 PolarHBondContact O-OG 2.88Å; V24-S27 PolarHBondContact O-N 3.14Å; S27-R53 PolarHBondContact O-NH2 3.12Å; S27-H54 PolarHBondContact O-CD2 2.92Å; S27-H54 PolarHBondContact O-NE2 2.9Å
28	D	98.5	Very high	97.9	Very high	101 Å²	101	76.3 Å²	76.3	54%	0.54	38%	0.384	S	S	.	.	S	Bend	trans	-106.4	-41.6	162.5	-59.4	-55.3	0	0	0	109.8	R53 H54 I55	D28-R53 WeakPolarHBondContact OD1-CD 3.31Å; D28-R53 IonicContact OD1-NE 3.9Å; D28-R53 PolarHBondContact OD1-NE 3.28Å; D28-H54 CarbonylContact O-C 3.48Å; D28-H54 VanDerWaalsContact O-CA 3.26Å; D28-H54 WeakPolarHBondContact O-CA 3.47Å; D28-I55 PolarHBondContact O-N 3.03Å
29	V	98.7	Very high	98	Very high	39 Å²	39	66.9 Å²	66.9	24%	0.236	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.6	167.3	-174.6	0	0	0	0	108.8	F31 I55 V57 L112	V29-F31 HydrophobicContact CG1-CD2 4.16Å; V29-F31 HydrophobicContact CG1-CE2 3.67Å; V29-F31 HydrophobicContact CG1-CZ 4.26Å; V29-I55 HydrophobicContact CG2-CD1 4.35Å; V29-V57 HydrophobicContact CG1-CG2 3.75Å; V29-L112 HydrophobicContact CG2-CD2 4.04Å
30	L	98.7	Very high	98	Very high	9 Å²	9	67.7 Å²	67.7	5%	0.047	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	103.2	-174.3	-177.2	67.5	0	0	0	111	T23 V24 L32 I46 I55 V57	T23-L30 HydrophobicContact CG2-CD1 3.99Å; V24-L30 HydrophobicContact CG2-CD1 4.47Å; V24-L30 HydrophobicContact CG2-CD2 3.81Å; L30-L32 HydrophobicContact CD2-CD2 4.39Å; L30-L32 HydrophobicContact CG-CD2 4.37Å; L30-I46 HydrophobicContact CD2-CD1 3.85Å; L30-I55 PolarHBondContact N-O 2.89Å; L30-V57 PolarHBondContact O-N 2.8Å
31	F	98.7	Very high	98	Very high	76 Å²	76	71.6 Å²	71.6	33%	0.333	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	123.1	175.5	-73.5	-90.3	0	0	0	112.1	V29 A33 V57 L113 L116 M117	V29-F31 HydrophobicContact CG1-CD2 4.16Å; V29-F31 HydrophobicContact CG1-CE2 3.67Å; V29-F31 HydrophobicContact CG1-CZ 4.26Å; F31-A33 PolarHBondContact O-N 2.97Å; F31-V57 CarbonylContact C-O 3.57Å; F31-V57 WeakPolarHBondContact CA-O 3.47Å; F31-V57 HydrophobicContact CD1-CB 3.82Å; F31-V57 HydrophobicContact CD1-CG1 3.73Å; F31-V57 HydrophobicContact CE1-CB 3.97Å; F31-V57 HydrophobicContact CE1-CG1 3.59Å; F31-V57 HydrophobicContact CE1-CG2 4.43Å; F31-V57 HydrophobicContact CG-CB 4.31Å; F31-V57 HydrophobicContact CZ-CG1 4.43Å; F31-L113 HydrophobicContact CE1-CD1 4.2Å; F31-L113 HydrophobicContact CZ-CD1 3.91Å; F31-L116 HydrophobicContact CE2-CD2 3.83Å; F31-L116 HydrophobicContact CZ-CD2 3.8Å; F31-M117 HydrophobicContact CE1-SD 4.18Å; F31-M117 HydrophobicContact CZ-SD 4.11Å
32	L	98.5	Very high	98	Very high	9 Å²	9	68.9 Å²	68.9	5%	0.047	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	86.3	169.9	-51.8	-177.4	0	0	0	109.6	L30 I39 I42 L43 I46 V56 V57 C59	L30-L32 HydrophobicContact CD2-CD2 4.39Å; L30-L32 HydrophobicContact CG-CD2 4.37Å; L32-I39 HydrophobicContact CB-CD1 3.69Å; L32-I39 HydrophobicContact CD1-CD1 4.15Å; L32-I42 HydrophobicContact CD2-CG2 4.43Å; L32-L43 HydrophobicContact CD1-CD2 3.84Å; L32-I46 HydrophobicContact CD2-CD1 4.27Å; L32-V56 HydrophobicContact CD1-CG1 3.65Å; L32-V56 HydrophobicContact CG-CG1 3.95Å; L32-V57 PolarHBondContact N-O 2.72Å; L32-C59 PolarHBondContact O-N 2.82Å
33	A	97.5	Very high	98	Very high	85 Å²	85	64.4 Å²	64.4	70%	0.702	34%	0.336	S	S	*	.			trans	-102.8	44	-177.3	0	0	0	0	0	113.1	F31	F31-A33 PolarHBondContact O-N 2.97Å
34	V	97.4	Very high	98	Very high	57 Å²	57	65.4 Å²	65.4	35%	0.345	34%	0.339	S	S	.	.	S	Bend	trans	-107.9	169.2	176.5	-62	0	0	0	0	111.1	I38 I39 I42	V34-I38 HydrophobicContact CB-CB 4.2Å; V34-I38 HydrophobicContact CB-CG2 4.23Å; V34-I38 HydrophobicContact CG2-CB 3.96Å; V34-I38 HydrophobicContact CG2-CG2 4.06Å; V34-I39 HydrophobicContact CG2-CD1 3.48Å; V34-I39 VanDerWaalsContact CG2-CD1 3.48Å; V34-I39 HydrophobicContact CG2-CG1 4.08Å; V34-I42 HydrophobicContact CG2-CG1 4.3Å
35	K	96.7	Very high	98	Very high	141 Å²	141	69 Å²	69	61%	0.613	36%	0.356	S	S	*	.			trans	-60.3	146.2	175.3	-66.3	-175.7	179.5	177.6	0	110.6	H37 I38	K35-H37 VanDerWaalsContact C-N 3.34Å; K35-H37 PolarHBondContact O-N 3.1Å; K35-I38 HydrophobicContact CB-CD1 3.88Å; K35-I38 HydrophobicContact CB-CG1 4.08Å; K35-I38 HydrophobicContact CG-CD1 4.4Å; K35-I38 WeakPolarHBondContact O-CA 3.24Å; K35-I38 VanDerWaalsContact O-CB 3.3Å; K35-I38 WeakPolarHBondContact O-CB 3.48Å; K35-I38 PolarHBondContact O-N 3.17Å
36	P	96.9	Very high	98	Very high	52 Å²	52	62.9 Å²	62.9	34%	0.338	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-51.2	-45.1	-174.9	-32	37.2	0	0	0	115.2	I38 I39 A60 A61 V63	P36-I38 PolarHBondContact O-N 3.08Å; P36-I38 VanDerWaalsContact O-N 3.13Å; P36-I39 WeakPolarHBondContact O-CB 3.31Å; P36-I39 PolarHBondContact O-N 3.43Å; P36-I39 VanDerWaalsContact O-N 3.15Å; P36-A60 HydrophobicContact CB-CB 4.49Å; P36-A60 HydrophobicContact CG-CB 4.34Å; P36-A61 WeakPolarHBondContact CB-O 3.39Å; P36-A61 HydrophobicContact CG-CB 4.41Å; P36-A61 WeakPolarHBondContact CG-O 3.36Å; P36-V63 HydrophobicContact CB-CG2 3.84Å
37	H	97.3	Very high	98	Very high	126 Å²	126	55.4 Å²	55.4	58%	0.583	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-66.8	-13.9	179.7	61.3	-92.9	0	0	0	114.1	K35 F41	K35-H37 VanDerWaalsContact C-N 3.34Å; K35-H37 PolarHBondContact O-N 3.1Å; H37-F41 WeakPolarHBondContact O-CD2 3.24Å; H37-F41 VanDerWaalsContact O-CE2 3.25Å; H37-F41 WeakPolarHBondContact O-CE2 3.39Å
38	I	98.2	Very high	98	Very high	57 Å²	57	57.8 Å²	57.8	29%	0.292	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-85.7	-24.3	178.8	-55	179.2	0	0	0	110.7	V34 K35 P36 F41 I42	V34-I38 HydrophobicContact CB-CB 4.2Å; V34-I38 HydrophobicContact CB-CG2 4.23Å; V34-I38 HydrophobicContact CG2-CB 3.96Å; V34-I38 HydrophobicContact CG2-CG2 4.06Å; K35-I38 HydrophobicContact CB-CD1 3.88Å; K35-I38 HydrophobicContact CB-CG1 4.08Å; K35-I38 HydrophobicContact CG-CD1 4.4Å; K35-I38 WeakPolarHBondContact O-CA 3.24Å; K35-I38 VanDerWaalsContact O-CB 3.3Å; K35-I38 WeakPolarHBondContact O-CB 3.48Å; K35-I38 PolarHBondContact O-N 3.17Å; P36-I38 PolarHBondContact O-N 3.08Å; P36-I38 VanDerWaalsContact O-N 3.13Å; I38-F41 PolarHBondContact O-N 3.18Å; I38-F41 VanDerWaalsContact O-N 3.13Å; I38-I42 HydrophobicContact CG2-CD1 4.22Å; I38-I42 HydrophobicContact CG2-CG1 3.86Å; I38-I42 PolarHBondContact O-N 3.45Å
39	I	98.3	Very high	98	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.015	30%	0.298	C	S	.	.	H	α-helix	trans	-53.6	-48.4	-174.9	-64.8	-70.9	0	0	0	113.2	L32 V34 P36 F41 I42 L43 A60 V63 V68	L32-I39 HydrophobicContact CB-CD1 3.69Å; L32-I39 HydrophobicContact CD1-CD1 4.15Å; V34-I39 HydrophobicContact CG2-CD1 3.48Å; V34-I39 VanDerWaalsContact CG2-CD1 3.48Å; V34-I39 HydrophobicContact CG2-CG1 4.08Å; P36-I39 WeakPolarHBondContact O-CB 3.31Å; P36-I39 PolarHBondContact O-N 3.43Å; P36-I39 VanDerWaalsContact O-N 3.15Å; I39-F41 PolarHBondContact O-N 3.35Å; I39-I42 PolarHBondContact O-N 2.84Å; I39-I42 VanDerWaalsContact O-N 3.13Å; I39-L43 HydrophobicContact CG2-CD1 3.61Å; I39-L43 HydrophobicContact CG2-CG 3.94Å; I39-L43 WeakPolarHBondContact O-CG 3.48Å; I39-L43 PolarHBondContact O-N 2.99Å; I39-A60 HydrophobicContact CD1-CB 3.91Å; I39-A60 HydrophobicContact CG1-CB 3.63Å; I39-V63 HydrophobicContact CG1-CG2 4.2Å; I39-V63 HydrophobicContact CG2-CG1 4.07Å; I39-V68 HydrophobicContact CG2-CG2 4.48Å
40	P	97.5	Very high	97.9	Very high	55 Å²	55	53 Å²	53	36%	0.357	29%	0.289	S	S	.	.	H	α-helix	trans	-57.2	-38.5	-178.7	-25.6	35.8	0	0	0	113.1	D44	P40-D44 VanDerWaalsContact O-CG 3.25Å; P40-D44 PolarHBondContact O-N 3.5Å; P40-D44 VanDerWaalsContact O-N 3.07Å
41	F	98	Very high	97.9	Very high	145 Å²	145	57.8 Å²	57.8	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-69.4	-40.1	179.5	-57.2	-80.6	0	0	0	112.1	H37 I38 I39 D44 E45	H37-F41 WeakPolarHBondContact O-CD2 3.24Å; H37-F41 VanDerWaalsContact O-CE2 3.25Å; H37-F41 WeakPolarHBondContact O-CE2 3.39Å; I38-F41 PolarHBondContact O-N 3.18Å; I38-F41 VanDerWaalsContact O-N 3.13Å; I39-F41 PolarHBondContact O-N 3.35Å; F41-D44 PolarHBondContact O-N 2.85Å; F41-E45 WeakPolarHBondContact O-CB 3.49Å; F41-E45 PolarHBondContact O-N 2.85Å
42	I	98.2	Very high	97.8	Very high	23 Å²	23	57.2 Å²	57.2	12%	0.118	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-44.8	176.7	-60.8	-61.7	0	0	0	110.1	N20 L32 V34 I38 I39 D44 E45 I46	N20-I42 WeakPolarHBondContact ND2-CD1 3.41Å; L32-I42 HydrophobicContact CD2-CG2 4.43Å; V34-I42 HydrophobicContact CG2-CG1 4.3Å; I38-I42 HydrophobicContact CG2-CD1 4.22Å; I38-I42 HydrophobicContact CG2-CG1 3.86Å; I38-I42 PolarHBondContact O-N 3.45Å; I39-I42 PolarHBondContact O-N 2.84Å; I39-I42 VanDerWaalsContact O-N 3.13Å; I42-D44 VanDerWaalsContact C-N 3.3Å; I42-D44 PolarHBondContact O-N 2.97Å; I42-E45 WeakPolarHBondContact O-CB 3.43Å; I42-E45 PolarHBondContact O-N 3.28Å; I42-I46 HydrophobicContact CG2-CD1 3.9Å; I42-I46 HydrophobicContact CG2-CG1 4.36Å; I42-I46 HydrophobicContact CG2-CG2 4.32Å; I42-I46 VanDerWaalsContact O-CG1 3.31Å; I42-I46 WeakPolarHBondContact O-CG1 3.47Å; I42-I46 PolarHBondContact O-N 3.37Å
43	L	98.3	Very high	97.8	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-38.5	178.8	-64.4	177	0	0	0	112.1	L32 I39 E45 G47 V68 K71 L72	L32-L43 HydrophobicContact CD1-CD2 3.84Å; I39-L43 HydrophobicContact CG2-CD1 3.61Å; I39-L43 HydrophobicContact CG2-CG 3.94Å; I39-L43 WeakPolarHBondContact O-CG 3.48Å; I39-L43 PolarHBondContact O-N 2.99Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-G47 VanDerWaalsContact O-CA 3.31Å; L43-G47 WeakPolarHBondContact O-CA 3.26Å; L43-G47 PolarHBondContact O-N 3.11Å; L43-V68 HydrophobicContact CD1-CB 4.23Å; L43-V68 HydrophobicContact CD1-CG1 3.95Å; L43-V68 HydrophobicContact CD1-CG2 4.24Å; L43-V68 HydrophobicContact CD2-CG1 4.06Å; L43-K71 HydrophobicContact CB-CB 4.05Å; L43-K71 HydrophobicContact CD1-CB 3.84Å; L43-K71 HydrophobicContact CD1-CG 4.25Å; L43-L72 HydrophobicContact CD2-CD1 4.32Å; L43-L72 HydrophobicContact CD2-CD2 3.91Å; L43-L72 HydrophobicContact CD2-CG 4.07Å
44	D	98	Very high	97.8	Very high	78 Å²	78	57.4 Å²	57.4	42%	0.417	30%	0.303	S	S	.	.	H	α-helix	trans	-65.9	-34.8	173.4	-69.5	-24.6	0	0	0	111.9	P40 F41 I42 K71	P40-D44 VanDerWaalsContact O-CG 3.25Å; P40-D44 PolarHBondContact O-N 3.5Å; P40-D44 VanDerWaalsContact O-N 3.07Å; F41-D44 PolarHBondContact O-N 2.85Å; I42-D44 VanDerWaalsContact C-N 3.3Å; I42-D44 PolarHBondContact O-N 2.97Å; D44-K71 WeakPolarHBondContact OD1-CD 3.43Å; D44-K71 IonicContact OD1-NZ 4Å; D44-K71 PolarHBondContact OD1-NZ 3.27Å; D44-K71 IonicContact OD2-NZ 3Å; D44-K71 PolarHBondContact OD2-NZ 3.02Å
45	E	98.4	Very high	97.9	Very high	76 Å²	76	55.2 Å²	55.2	36%	0.355	29%	0.289	S	S	.	.	H	α-helix	trans	-71.7	-46.4	179	-173.9	-167.7	166.2	0	0	112.8	N20 K21 F41 I42 L43	N20-E45 PolarHBondContact ND2-OE2 3.14Å; K21-E45 WeakPolarHBondContact CE-O 3.4Å; F41-E45 WeakPolarHBondContact O-CB 3.49Å; F41-E45 PolarHBondContact O-N 2.85Å; I42-E45 WeakPolarHBondContact O-CB 3.43Å; I42-E45 PolarHBondContact O-N 3.28Å; L43-E45 VanDerWaalsContact C-N 3.32Å
46	I	98.3	Very high	98	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-99.1	-12.6	-170.1	73.8	178.8	0	0	0	113.8	N20 V24 L30 L32 I42 A48 D49 V50	N20-I46 HydrophobicContact CB-CG2 3.74Å; V24-I46 HydrophobicContact CG2-CB 3.74Å; V24-I46 HydrophobicContact CG2-CD1 3.93Å; V24-I46 HydrophobicContact CG2-CG1 4.32Å; V24-I46 HydrophobicContact CG2-CG2 3.86Å; L30-I46 HydrophobicContact CD2-CD1 3.85Å; L32-I46 HydrophobicContact CD2-CD1 4.27Å; I42-I46 HydrophobicContact CG2-CD1 3.9Å; I42-I46 HydrophobicContact CG2-CG1 4.36Å; I42-I46 HydrophobicContact CG2-CG2 4.32Å; I42-I46 VanDerWaalsContact O-CG1 3.31Å; I42-I46 WeakPolarHBondContact O-CG1 3.47Å; I42-I46 PolarHBondContact O-N 3.37Å; I46-A48 VanDerWaalsContact C-N 3.25Å; I46-A48 PolarHBondContact O-N 3.11Å; I46-A48 VanDerWaalsContact O-N 3.14Å; I46-D49 WeakPolarHBondContact O-CA 3.34Å; I46-D49 WeakPolarHBondContact O-CB 3.31Å; I46-D49 PolarHBondContact O-N 3.21Å; I46-V50 HydrophobicContact CG1-CG2 4.35Å; I46-V50 PolarHBondContact O-N 3.05Å
47	G	97.5	Very high	98.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-53.9	-40.3	-169.5	0	0	0	0	0	113.6	L43 D49 V50 F75	L43-G47 VanDerWaalsContact O-CA 3.31Å; L43-G47 WeakPolarHBondContact O-CA 3.26Å; L43-G47 PolarHBondContact O-N 3.11Å; G47-D49 PolarHBondContact O-N 3.2Å; G47-V50 PolarHBondContact O-N 3.4Å; G47-F75 VanDerWaalsContact C-CB 3.49Å; G47-F75 VanDerWaalsContact C-CG 3.48Å; G47-F75 VanDerWaalsContact O-CB 3.24Å; G47-F75 WeakPolarHBondContact O-CB 3.43Å
48	A	97.9	Very high	98.1	Very high	76 Å²	76	40.1 Å²	40.1	63%	0.628	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-67.9	-20.5	177.2	0	0	0	0	0	114.3	I46 F75	I46-A48 VanDerWaalsContact C-N 3.25Å; I46-A48 PolarHBondContact O-N 3.11Å; I46-A48 VanDerWaalsContact O-N 3.14Å; A48-F75 HydrophobicContact CB-CD1 3.94Å; A48-F75 HydrophobicContact CB-CE1 4.34Å
49	D	98.3	Very high	98	Very high	32 Å²	32	39.4 Å²	39.4	17%	0.171	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-91.6	-9.9	177.9	-64.3	-82.5	0	0	0	111.9	K21 V24 K25 I46 G47 Q51	K21-D49 WeakPolarHBondContact CD-OD2 3.31Å; K21-D49 WeakPolarHBondContact CE-OD2 3.31Å; K21-D49 WeakPolarHBondContact CG-OD2 3.41Å; K21-D49 IonicContact NZ-OD2 3.81Å; V24-D49 HydrophobicContact CB-CB 4.45Å; V24-D49 HydrophobicContact CG1-CB 3.93Å; V24-D49 WeakPolarHBondContact CG1-O 3.41Å; K25-D49 WeakPolarHBondContact CE-OD1 3.45Å; I46-D49 WeakPolarHBondContact O-CA 3.34Å; I46-D49 WeakPolarHBondContact O-CB 3.31Å; I46-D49 PolarHBondContact O-N 3.21Å; G47-D49 PolarHBondContact O-N 3.2Å; D49-Q51 PolarHBondContact O-N 2.79Å
50	V	98.2	Very high	97.8	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.042	22%	0.217	C	C	.	.			trans	-76.5	115	178.6	178.2	0	0	0	0	111.2	I46 G47 H54 V56 L72 Q76	I46-V50 HydrophobicContact CG1-CG2 4.35Å; I46-V50 PolarHBondContact O-N 3.05Å; G47-V50 PolarHBondContact O-N 3.4Å; V50-H54 HydrophobicContact CG1-CB 4.4Å; V50-V56 HydrophobicContact CG1-CG2 4.35Å; V50-L72 HydrophobicContact CG2-CD2 4.07Å; V50-Q76 PolarHBondContact O-NE2 3.2Å
51	Q	97.9	Very high	97.4	Very high	109 Å²	109	39.5 Å²	39.5	51%	0.509	22%	0.222	S	C	.	.			trans	-103.6	163.6	176.8	-54.8	-176.7	0.5	0	0	112.3	D49 R53 H54	D49-Q51 PolarHBondContact O-N 2.79Å; Q51-R53 VanDerWaalsContact CD-NH1 3.31Å; Q51-R53 PolarHBondContact O-N 2.95Å; Q51-H54 PolarHBondContact N-CE1 2.8Å; Q51-H54 PolarHBondContact N-ND1 3Å; Q51-H54 PolarHBondContact O-N 3.14Å; Q51-H54 PolarHBondContact O-ND1 3.43Å
52	A	96.8	Very high	97	Very high	64 Å²	64	35.1 Å²	35.1	53%	0.529	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.8	-178.6	0	0	0	0	0	115.6	H54	A52-H54 VanDerWaalsContact C-N 3.33Å
53	R	97.6	Very high	96.9	Very high	97 Å²	97	34.7 Å²	34.7	37%	0.366	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-22.8	175.4	76	173	-166	-77.6	-8.6	113.6	K25 S27 D28 Q51	K25-R53 PolarHBondContact O-NH2 3.36Å; S27-R53 PolarHBondContact O-NH2 3.12Å; D28-R53 WeakPolarHBondContact OD1-CD 3.31Å; D28-R53 IonicContact OD1-NE 3.9Å; D28-R53 PolarHBondContact OD1-NE 3.28Å; Q51-R53 VanDerWaalsContact CD-NH1 3.31Å; Q51-R53 PolarHBondContact O-N 2.95Å
54	H	98.8	Very high	96.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	23%	0.232	C	C	.	.			trans	-80.2	136.9	-171.4	-58	93.5	0	0	0	111.2	V24 S27 D28 V50 Q51 A52	V24-H54 PolarHBondContact O-NE2 3.19Å; S27-H54 PolarHBondContact O-CD2 2.92Å; S27-H54 PolarHBondContact O-NE2 2.9Å; D28-H54 CarbonylContact O-C 3.48Å; D28-H54 VanDerWaalsContact O-CA 3.26Å; D28-H54 WeakPolarHBondContact O-CA 3.47Å; V50-H54 HydrophobicContact CG1-CB 4.4Å; Q51-H54 PolarHBondContact N-CE1 2.8Å; Q51-H54 PolarHBondContact N-ND1 3Å; Q51-H54 PolarHBondContact O-N 3.14Å; Q51-H54 PolarHBondContact O-ND1 3.43Å; A52-H54 VanDerWaalsContact C-N 3.33Å
55	I	98.8	Very high	97	Very high	11 Å²	11	34 Å²	34	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	110.5	166.9	-56.7	165.5	0	0	0	107	D28 V29 L30 V57 K80 I82 D109 L112	D28-I55 PolarHBondContact O-N 3.03Å; V29-I55 HydrophobicContact CG2-CD1 4.35Å; L30-I55 PolarHBondContact N-O 2.89Å; I55-V57 HydrophobicContact CG2-CG2 4.11Å; I55-K80 HydrophobicContact CG1-CD 4.27Å; I55-I82 HydrophobicContact CG2-CD1 3.71Å; I55-I82 HydrophobicContact CG2-CG1 4.14Å; I55-D109 HydrophobicContact CD1-CB 3.83Å; I55-D109 VanDerWaalsContact CD1-OD1 3.31Å; I55-D109 WeakPolarHBondContact CD1-OD1 3.33Å; I55-D109 HydrophobicContact CG1-CB 4.15Å; I55-D109 HydrophobicContact CG2-CB 4.47Å; I55-L112 HydrophobicContact CD1-CD2 3.84Å
56	V	98.8	Very high	97	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110.7	-179.9	-178.6	0	0	0	0	109.1	L32 V50 V68 L72 K80 V81 I82	L32-V56 HydrophobicContact CD1-CG1 3.65Å; L32-V56 HydrophobicContact CG-CG1 3.95Å; V50-V56 HydrophobicContact CG1-CG2 4.35Å; V56-V68 HydrophobicContact CG1-CG1 4.47Å; V56-L72 HydrophobicContact CB-CD1 4.41Å; V56-L72 HydrophobicContact CG1-CD1 4.37Å; V56-L72 HydrophobicContact CG2-CD1 4.04Å; V56-K80 PolarHBondContact N-O 3.45Å; V56-V81 HydrophobicContact CB-CG2 4.48Å; V56-V81 CarbonylContact O-C 3.53Å; V56-V81 WeakPolarHBondContact O-CA 3.38Å; V56-I82 PolarHBondContact O-N 2.99Å
57	V	98.8	Very high	97	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	109	-178.8	-172.8	0	0	0	0	109.7	V29 L30 F31 L32 I55 I82 C84 L113	V29-V57 HydrophobicContact CG1-CG2 3.75Å; L30-V57 PolarHBondContact O-N 2.8Å; F31-V57 CarbonylContact C-O 3.57Å; F31-V57 WeakPolarHBondContact CA-O 3.47Å; F31-V57 HydrophobicContact CD1-CB 3.82Å; F31-V57 HydrophobicContact CD1-CG1 3.73Å; F31-V57 HydrophobicContact CE1-CB 3.97Å; F31-V57 HydrophobicContact CE1-CG1 3.59Å; F31-V57 HydrophobicContact CE1-CG2 4.43Å; F31-V57 HydrophobicContact CG-CB 4.31Å; F31-V57 HydrophobicContact CZ-CG1 4.43Å; L32-V57 PolarHBondContact N-O 2.72Å; I55-V57 HydrophobicContact CG2-CG2 4.11Å; V57-I82 CarbonylContact C-O 3.52Å; V57-I82 VanDerWaalsContact CA-O 3.27Å; V57-I82 WeakPolarHBondContact CA-O 3.28Å; V57-C84 HydrophobicContact CG1-CB 3.71Å; V57-L113 HydrophobicContact CG1-CD1 4.13Å; V57-L113 HydrophobicContact CG1-CD2 4.09Å; V57-L113 HydrophobicContact CG2-CD1 4.09Å; V57-L113 HydrophobicContact CG2-CD2 4.49Å
58	S	98.3	Very high	97	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.4	177.5	-176.1	0	0	0	0	111.2	I82 C84	S58-I82 PolarHBondContact N-O 3.15Å; S58-C84 PolarHBondContact O-N 3.3Å; S58-C84 VanDerWaalsContact O-O 3.12Å
59	C	96.3	Very high	97	Very high	42 Å²	42	33.3 Å²	33.3	28%	0.284	21%	0.212	S	C	.	.			trans	-99	5	172.5	-60.4	0	0	0	0	112.9	L32 A61 C84	L32-C59 PolarHBondContact O-N 2.82Å; C59-A61 PolarHBondContact O-N 3.07Å; C59-C84 WeakPolarHBondContact CA-O 3.29Å
60	A	93	Very high	97	Very high	5 Å²	5	39.5 Å²	39.5	4%	0.041	24%	0.237	C	C	.	.			trans	-78.4	119	-173.5	0	0	0	0	0	111.4	P36 I39 G62 V63	P36-A60 HydrophobicContact CB-CB 4.49Å; P36-A60 HydrophobicContact CG-CB 4.34Å; I39-A60 HydrophobicContact CD1-CB 3.91Å; I39-A60 HydrophobicContact CG1-CB 3.63Å; A60-G62 PolarHBondContact O-N 3.23Å; A60-V63 HydrophobicContact CB-CB 3.98Å; A60-V63 HydrophobicContact CB-CG2 3.57Å; A60-V63 PolarHBondContact O-N 2.63Å
61	A	89.4	Confident	97	Very high	55 Å²	55	42.5 Å²	42.5	46%	0.455	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	132.3	176.6	0	0	0	0	0	111.9	P36 C59 V63 T135	P36-A61 WeakPolarHBondContact CB-O 3.39Å; P36-A61 HydrophobicContact CG-CB 4.41Å; P36-A61 WeakPolarHBondContact CG-O 3.36Å; C59-A61 PolarHBondContact O-N 3.07Å; A61-V63 PolarHBondContact O-N 3.46Å; A61-T135 HydrophobicContact CB-CG2 4.42Å
62	G	89.4	Confident	97	Very high	52 Å²	52	37.4 Å²	37.4	54%	0.536	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	5.8	178.4	0	0	0	0	0	115.9	A60	A60-G62 PolarHBondContact O-N 3.23Å
63	V	97.1	Very high	97	Very high	15 Å²	15	38.5 Å²	38.5	9%	0.091	22%	0.221	C	C	.	.			trans	-92.7	113.8	174.4	-178.7	0	0	0	0	108.9	P36 I39 A60 A61 S67 V68 R83	P36-V63 HydrophobicContact CB-CG2 3.84Å; I39-V63 HydrophobicContact CG1-CG2 4.2Å; I39-V63 HydrophobicContact CG2-CG1 4.07Å; A60-V63 HydrophobicContact CB-CB 3.98Å; A60-V63 HydrophobicContact CB-CG2 3.57Å; A60-V63 PolarHBondContact O-N 2.63Å; A61-V63 PolarHBondContact O-N 3.46Å; V63-S67 WeakPolarHBondContact CG1-OG 3.39Å; V63-V68 HydrophobicContact CG1-CG2 3.72Å; V63-R83 WeakPolarHBondContact O-CD 3.27Å; V63-R83 PolarHBondContact O-NE 3.26Å
64	T	98.2	Very high	97	Very high	57 Å²	57	37.7 Å²	37.7	35%	0.35	24%	0.236	S	C	.	.			trans	-78.6	152.2	-175.9	64.3	0	0	0	0	112.1	S66 S67 V68 E128	T64-S66 VanDerWaalsContact C-N 3.25Å; T64-S66 PolarHBondContact O-N 3.46Å; T64-S67 PolarHBondContact N-OG 3.04Å; T64-S67 PolarHBondContact O-N 3.24Å; T64-S67 VanDerWaalsContact O-N 3.08Å; T64-S67 PolarHBondContact O-OG 3.33Å; T64-S67 WeakPolarHBondContact OG1-CB 3.22Å; T64-S67 PolarHBondContact OG1-N 3.42Å; T64-V68 PolarHBondContact O-N 3.11Å; T64-E128 WeakPolarHBondContact CA-OE1 3.41Å; T64-E128 WeakPolarHBondContact CB-OE1 3.18Å
65	I	98.6	Very high	96.9	Very high	9 Å²	9	42.2 Å²	42.2	5%	0.046	26%	0.256	C	S	.	.	H	α-helix	trans	-52.1	-49.7	172.3	-67.6	172	0	0	0	109.5	S67 V68 E69 V81 R83 A100 E128	I65-S67 VanDerWaalsContact C-N 3.26Å; I65-S67 PolarHBondContact O-N 2.95Å; I65-V68 PolarHBondContact O-N 3.35Å; I65-E69 HydrophobicContact CG2-CG 4Å; I65-E69 PolarHBondContact O-N 2.98Å; I65-V81 HydrophobicContact CG2-CG1 4.28Å; I65-R83 HydrophobicContact CD1-CB 4.01Å; I65-R83 HydrophobicContact CG1-CB 3.56Å; I65-A100 HydrophobicContact CD1-CB 4.05Å; I65-A100 WeakPolarHBondContact CD1-O 3.39Å; I65-E128 HydrophobicContact CD1-CB 4.38Å; I65-E128 HydrophobicContact CD1-CG 4.19Å; I65-E128 HydrophobicContact CG1-CG 4.47Å; I65-E128 PolarHBondContact N-OE1 2.99Å
66	S	98.4	Very high	96.7	Very high	79 Å²	79	43.5 Å²	43.5	55%	0.552	26%	0.261	S	S	*	.	H	α-helix	trans	-54	-40.4	178.7	-177.9	0	0	0	0	112.9	T64 V68 K70	T64-S66 VanDerWaalsContact C-N 3.25Å; T64-S66 PolarHBondContact O-N 3.46Å; S66-V68 PolarHBondContact O-N 3.12Å; S66-K70 WeakPolarHBondContact O-CB 3.35Å; S66-K70 PolarHBondContact O-N 2.81Å
67	S	98	Very high	96.5	Very high	50 Å²	50	48.3 Å²	48.3	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-66.5	-37.4	178.3	76.3	0	0	0	0	112.9	V63 T64 I65 K71	V63-S67 WeakPolarHBondContact CG1-OG 3.39Å; T64-S67 PolarHBondContact N-OG 3.04Å; T64-S67 PolarHBondContact O-N 3.24Å; T64-S67 VanDerWaalsContact O-N 3.08Å; T64-S67 PolarHBondContact O-OG 3.33Å; T64-S67 WeakPolarHBondContact OG1-CB 3.22Å; T64-S67 PolarHBondContact OG1-N 3.42Å; I65-S67 VanDerWaalsContact C-N 3.26Å; I65-S67 PolarHBondContact O-N 2.95Å; S67-K71 PolarHBondContact O-N 2.86Å
68	V	98.5	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-73.4	-49	179.3	179.2	0	0	0	0	110.6	I39 L43 V56 V63 T64 I65 S66 K70 K71 L72 V81	I39-V68 HydrophobicContact CG2-CG2 4.48Å; L43-V68 HydrophobicContact CD1-CB 4.23Å; L43-V68 HydrophobicContact CD1-CG1 3.95Å; L43-V68 HydrophobicContact CD1-CG2 4.24Å; L43-V68 HydrophobicContact CD2-CG1 4.06Å; V56-V68 HydrophobicContact CG1-CG1 4.47Å; V63-V68 HydrophobicContact CG1-CG2 3.72Å; T64-V68 PolarHBondContact O-N 3.11Å; I65-V68 PolarHBondContact O-N 3.35Å; S66-V68 PolarHBondContact O-N 3.12Å; V68-K70 VanDerWaalsContact C-N 3.35Å; V68-K70 PolarHBondContact O-N 2.94Å; V68-K71 PolarHBondContact O-N 2.83Å; V68-L72 HydrophobicContact CG1-CD1 3.9Å; V68-L72 HydrophobicContact CG1-CG 4.43Å; V68-L72 PolarHBondContact O-N 3.22Å; V68-V81 HydrophobicContact CB-CG1 4.15Å; V68-V81 HydrophobicContact CG1-CG1 3.96Å; V68-V81 HydrophobicContact CG1-CG2 3.97Å
69	E	98.5	Very high	96.4	Very high	11 Å²	11	50.5 Å²	50.5	5%	0.051	31%	0.311	C	S	.	.	H	α-helix	trans	-58	-46.6	177.4	-72	-173.6	159.8	0	0	111.1	I65 K71 L72 M73 P79 V81 T103	I65-E69 HydrophobicContact CG2-CG 4Å; I65-E69 PolarHBondContact O-N 2.98Å; E69-K71 PolarHBondContact O-N 3.24Å; E69-L72 PolarHBondContact O-N 3.15Å; E69-L72 VanDerWaalsContact O-N 3.14Å; E69-M73 HydrophobicContact CB-CE 4.26Å; E69-M73 WeakPolarHBondContact O-CB 3.37Å; E69-M73 VanDerWaalsContact O-CG 3.28Å; E69-M73 WeakPolarHBondContact O-CG 3.36Å; E69-M73 PolarHBondContact O-N 3.38Å; E69-P79 HydrophobicContact CG-CG 4.47Å; E69-V81 HydrophobicContact CG-CB 4Å; E69-V81 HydrophobicContact CG-CG2 3.71Å; E69-T103 WeakPolarHBondContact OE1-CB 3.27Å; E69-T103 PolarHBondContact OE1-N 2.84Å; E69-T103 PolarHBondContact OE1-OG1 3.3Å; E69-T103 WeakPolarHBondContact OE2-CB 3.21Å; E69-T103 PolarHBondContact OE2-OG1 2.75Å
70	K	98.1	Very high	96.5	Very high	162 Å²	162	50.2 Å²	50.2	70%	0.704	30%	0.304	S	S	*	.	H	α-helix	trans	-54.6	-39.4	178.6	-177.6	178.6	-179.4	178.1	0	112.8	S66 V68	S66-K70 WeakPolarHBondContact O-CB 3.35Å; S66-K70 PolarHBondContact O-N 2.81Å; V68-K70 VanDerWaalsContact C-N 3.35Å; V68-K70 PolarHBondContact O-N 2.94Å
71	K	97.7	Very high	96.8	Very high	71 Å²	71	50 Å²	50	31%	0.309	30%	0.302	S	S	.	.	H	α-helix	trans	-72.9	-46	177.6	-82.2	-76	-165.7	167.7	0	111.6	L43 D44 S67 V68 E69 A74	L43-K71 HydrophobicContact CB-CB 4.05Å; L43-K71 HydrophobicContact CD1-CB 3.84Å; L43-K71 HydrophobicContact CD1-CG 4.25Å; D44-K71 WeakPolarHBondContact OD1-CD 3.43Å; D44-K71 IonicContact OD1-NZ 4Å; D44-K71 PolarHBondContact OD1-NZ 3.27Å; D44-K71 IonicContact OD2-NZ 3Å; D44-K71 PolarHBondContact OD2-NZ 3.02Å; S67-K71 PolarHBondContact O-N 2.86Å; V68-K71 PolarHBondContact O-N 2.83Å; E69-K71 PolarHBondContact O-N 3.24Å; K71-A74 WeakPolarHBondContact O-CB 3.31Å; K71-A74 PolarHBondContact O-N 2.79Å
72	L	98.1	Very high	97.3	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-70.8	-31.2	-177.9	-69.5	178.6	0	0	0	113.3	L43 V50 V56 V68 E69 A74 F75 Q76 P79 V81	L43-L72 HydrophobicContact CD2-CD1 4.32Å; L43-L72 HydrophobicContact CD2-CD2 3.91Å; L43-L72 HydrophobicContact CD2-CG 4.07Å; V50-L72 HydrophobicContact CG2-CD2 4.07Å; V56-L72 HydrophobicContact CB-CD1 4.41Å; V56-L72 HydrophobicContact CG1-CD1 4.37Å; V56-L72 HydrophobicContact CG2-CD1 4.04Å; V68-L72 HydrophobicContact CG1-CD1 3.9Å; V68-L72 HydrophobicContact CG1-CG 4.43Å; V68-L72 PolarHBondContact O-N 3.22Å; E69-L72 PolarHBondContact O-N 3.15Å; E69-L72 VanDerWaalsContact O-N 3.14Å; L72-A74 PolarHBondContact O-N 3.27Å; L72-A74 VanDerWaalsContact O-N 3.12Å; L72-F75 PolarHBondContact O-N 2.79Å; L72-Q76 PolarHBondContact O-N 3.4Å; L72-P79 HydrophobicContact CB-CB 3.73Å; L72-P79 HydrophobicContact CB-CG 3.85Å; L72-P79 HydrophobicContact CD1-CB 3.96Å; L72-V81 HydrophobicContact CD1-CG2 4.1Å
73	M	97.7	Very high	97.7	Very high	87 Å²	87	45.2 Å²	45.2	43%	0.429	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.9	177.1	-78.8	-170.7	-66.8	0	0	114	E69 F75 Q76 P79	E69-M73 HydrophobicContact CB-CE 4.26Å; E69-M73 WeakPolarHBondContact O-CB 3.37Å; E69-M73 VanDerWaalsContact O-CG 3.28Å; E69-M73 WeakPolarHBondContact O-CG 3.36Å; E69-M73 PolarHBondContact O-N 3.38Å; M73-F75 PolarHBondContact O-N 3.21Å; M73-Q76 VanDerWaalsContact CA-O 3.31Å; M73-Q76 WeakPolarHBondContact CA-O 3.34Å; M73-P79 HydrophobicContact CG-CG 4.01Å
74	A	96.7	Very high	97.7	Very high	81 Å²	81	44.6 Å²	44.6	67%	0.669	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.4	170.7	0	0	0	0	0	113.1	K71 L72	K71-A74 WeakPolarHBondContact O-CB 3.31Å; K71-A74 PolarHBondContact O-N 2.79Å; L72-A74 PolarHBondContact O-N 3.27Å; L72-A74 VanDerWaalsContact O-N 3.12Å
75	F	96.5	Very high	97.7	Very high	97 Å²	97	43 Å²	43	43%	0.425	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-35.4	-174.8	-54.4	-82	0	0	0	113.3	G47 A48 L72 M73	G47-F75 VanDerWaalsContact C-CB 3.49Å; G47-F75 VanDerWaalsContact C-CG 3.48Å; G47-F75 VanDerWaalsContact O-CB 3.24Å; G47-F75 WeakPolarHBondContact O-CB 3.43Å; A48-F75 HydrophobicContact CB-CD1 3.94Å; A48-F75 HydrophobicContact CB-CE1 4.34Å; L72-F75 PolarHBondContact O-N 2.79Å; M73-F75 PolarHBondContact O-N 3.21Å
76	Q	94.4	Very high	97.6	Very high	37 Å²	37	44.4 Å²	44.4	17%	0.173	25%	0.251	C	S	.	.			trans	-132.8	115	-176.9	175.8	60.4	-102.9	0	0	109.1	V50 L72 M73 A78 P79	V50-Q76 PolarHBondContact O-NE2 3.2Å; L72-Q76 PolarHBondContact O-N 3.4Å; M73-Q76 VanDerWaalsContact CA-O 3.31Å; M73-Q76 WeakPolarHBondContact CA-O 3.34Å; Q76-A78 VanDerWaalsContact C-N 3.28Å; Q76-A78 PolarHBondContact O-N 3.13Å; Q76-P79 HydrophobicContact CG-CB 4.47Å; Q76-P79 WeakPolarHBondContact O-CD 3.28Å
77	P	94.9	Very high	97.6	Very high	103 Å²	103	41.5 Å²	41.5	67%	0.669	23%	0.229	S	C	*	.	S	Bend	trans	-62.7	-25.8	-172.3	21.5	-36.1	0	0	0	115.9
78	A	97.5	Very high	97.6	Very high	45 Å²	45	43.7 Å²	43.7	37%	0.372	24%	0.24	S	C	.	.	S	Bend	trans	-134.1	70.9	-178.9	0	0	0	0	0	110.7	Q76 K80 H104	Q76-A78 VanDerWaalsContact C-N 3.28Å; Q76-A78 PolarHBondContact O-N 3.13Å; A78-K80 PolarHBondContact O-N 3.19Å; A78-H104 HydrophobicContact CB-CB 4.17Å
79	P	98.2	Very high	97.6	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.013	25%	0.25	C	C	.	.			trans	-74.1	125.5	-178.2	30.8	-31.1	0	0	0	110.1	E69 L72 M73 Q76 V81	E69-P79 HydrophobicContact CG-CG 4.47Å; L72-P79 HydrophobicContact CB-CB 3.73Å; L72-P79 HydrophobicContact CB-CG 3.85Å; L72-P79 HydrophobicContact CD1-CB 3.96Å; M73-P79 HydrophobicContact CG-CG 4.01Å; Q76-P79 HydrophobicContact CG-CB 4.47Å; Q76-P79 WeakPolarHBondContact O-CD 3.28Å; P79-V81 HydrophobicContact CB-CG2 4.3Å; P79-V81 PolarHBondContact O-N 3.48Å
80	K	98.7	Very high	97.6	Very high	35 Å²	35	46.6 Å²	46.6	15%	0.152	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	107.9	172.8	-61.8	171.4	164.1	-147.9	0	109	I55 V56 A78 D109	I55-K80 HydrophobicContact CG1-CD 4.27Å; V56-K80 PolarHBondContact N-O 3.45Å; A78-K80 PolarHBondContact O-N 3.19Å; K80-D109 WeakPolarHBondContact CD-OD2 3.3Å; K80-D109 VanDerWaalsContact CE-OD2 3.24Å; K80-D109 WeakPolarHBondContact CE-OD2 3.19Å; K80-D109 VanDerWaalsContact NZ-CG 3.32Å; K80-D109 IonicContact NZ-OD1 2.69Å; K80-D109 PolarHBondContact NZ-OD1 2.87Å; K80-D109 IonicContact NZ-OD2 3.65Å; K80-D109 PolarHBondContact NZ-OD2 3.2Å
81	V	98.8	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.5	-179.7	179.7	0	0	0	0	109.3	V56 I65 V68 E69 L72 P79 G102	V56-V81 HydrophobicContact CB-CG2 4.48Å; V56-V81 CarbonylContact O-C 3.53Å; V56-V81 WeakPolarHBondContact O-CA 3.38Å; I65-V81 HydrophobicContact CG2-CG1 4.28Å; V68-V81 HydrophobicContact CB-CG1 4.15Å; V68-V81 HydrophobicContact CG1-CG1 3.96Å; V68-V81 HydrophobicContact CG1-CG2 3.97Å; E69-V81 HydrophobicContact CG-CB 4Å; E69-V81 HydrophobicContact CG-CG2 3.71Å; L72-V81 HydrophobicContact CD1-CG2 4.1Å; P79-V81 HydrophobicContact CB-CG2 4.3Å; P79-V81 PolarHBondContact O-N 3.48Å; V81-G102 VanDerWaalsContact O-CA 3.31Å; V81-G102 WeakPolarHBondContact O-CA 3.37Å; V81-G102 PolarHBondContact O-N 3.43Å
82	I	98.8	Very high	97.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.1	168	-58.1	175.8	0	0	0	107.7	I55 V56 V57 S58 Y99 A100 A105 D109 L113	I55-I82 HydrophobicContact CG2-CD1 3.71Å; I55-I82 HydrophobicContact CG2-CG1 4.14Å; V56-I82 PolarHBondContact O-N 2.99Å; V57-I82 CarbonylContact C-O 3.52Å; V57-I82 VanDerWaalsContact CA-O 3.27Å; V57-I82 WeakPolarHBondContact CA-O 3.28Å; S58-I82 PolarHBondContact N-O 3.15Å; I82-Y99 HydrophobicContact CG2-CD2 3.99Å; I82-Y99 HydrophobicContact CG2-CG 4.37Å; I82-A100 WeakPolarHBondContact CG2-O 3.37Å; I82-A105 HydrophobicContact CG1-CB 4.28Å; I82-D109 HydrophobicContact CD1-CB 4.26Å; I82-L113 HydrophobicContact CB-CD2 4.08Å; I82-L113 HydrophobicContact CD1-CB 4.14Å; I82-L113 HydrophobicContact CD1-CD2 4.1Å; I82-L113 HydrophobicContact CG2-CD2 3.3Å
83	R	98.6	Very high	97.6	Very high	7 Å²	7	52.4 Å²	52.4	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.3	170.7	-179.2	177.6	174	-165.7	-6.3	108.3	V63 I65 Y99 A100 E128 I131 D132	V63-R83 WeakPolarHBondContact O-CD 3.27Å; V63-R83 PolarHBondContact O-NE 3.26Å; I65-R83 HydrophobicContact CD1-CB 4.01Å; I65-R83 HydrophobicContact CG1-CB 3.56Å; R83-Y99 CarbonylContact O-C 3.54Å; R83-Y99 WeakPolarHBondContact O-CA 3.42Å; R83-Y99 WeakPolarHBondContact O-CB 3.15Å; R83-A100 PolarHBondContact N-O 2.86Å; R83-A100 PolarHBondContact O-N 3.13Å; R83-E128 VanDerWaalsContact CD-OE1 3.27Å; R83-E128 WeakPolarHBondContact CD-OE1 3.18Å; R83-E128 IonicContact CZ-OE1 2.82Å; R83-E128 IonicContact NE-OE1 2.72Å; R83-E128 IonicContact NH1-OE1 2.8Å; R83-E128 PolarHBondContact NH1-OE1 3.14Å; R83-I131 HydrophobicContact CB-CD1 4.25Å; R83-I131 HydrophobicContact CG-CD1 3.87Å; R83-D132 IonicContact CZ-OD1 3.23Å; R83-D132 IonicContact NH2-OD1 2.97Å; R83-D132 PolarHBondContact NH2-OD1 3.42Å
84	C	97.3	Very high	97.6	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.02	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.8	-178.1	177.5	0	0	0	0	109.5	V57 S58 C59 T97 V98 L113	V57-C84 HydrophobicContact CG1-CB 3.71Å; S58-C84 PolarHBondContact O-N 3.3Å; S58-C84 VanDerWaalsContact O-O 3.12Å; C59-C84 WeakPolarHBondContact CA-O 3.29Å; C84-T97 WeakPolarHBondContact SG-CG2 3.3Å; C84-V98 WeakPolarHBondContact CA-O 3.36Å; C84-L113 HydrophobicContact CB-CD2 4.49Å
85	M	97.3	Very high	97.7	Very high	24 Å²	24	51.7 Å²	51.7	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.1	169.7	-169.9	-60.4	131.7	0	0	107.2	T97 V98 I131 V134 T135	M85-T97 CarbonylContact O-C 3.58Å; M85-T97 VanDerWaalsContact O-CA 3.25Å; M85-T97 WeakPolarHBondContact O-CA 3.49Å; M85-T97 WeakPolarHBondContact O-CG2 3.41Å; M85-V98 HydrophobicContact CB-CG2 3.93Å; M85-V98 PolarHBondContact N-O 2.85Å; M85-V98 PolarHBondContact O-N 3.49Å; M85-I131 HydrophobicContact CB-CG2 3.69Å; M85-I131 HydrophobicContact CG-CG2 4.19Å; M85-V134 HydrophobicContact SD-CG1 4.25Å; M85-T135 HydrophobicContact CE-CG2 4.23Å; M85-T135 VanDerWaalsContact CG-OG1 3.25Å; M85-T135 WeakPolarHBondContact CG-OG1 3.25Å
86	T	98	Very high	97.8	Very high	38 Å²	38	48.3 Å²	48.3	23%	0.233	28%	0.278	C	S	.	.			trans	-137.7	172.1	179.1	-165.7	0	0	0	0	109.7	V90 T97 M117	T86-V90 VanDerWaalsContact OG1-CG1 3.25Å; T86-V90 WeakPolarHBondContact OG1-CG1 3.4Å; T86-T97 WeakPolarHBondContact CB-OG1 3.46Å; T86-T97 PolarHBondContact OG1-OG1 2.88Å; T86-M117 HydrophobicContact CG2-CE 4.42Å
87	N	97.8	Very high	98	Very high	17 Å²	17	46.6 Å²	46.6	9%	0.091	27%	0.27	C	S	.	.			trans	-127.9	168.4	-178.1	65.4	4.9	0	0	0	112.4	P89 V90 G95 A96 S138 P142	N87-P89 WeakPolarHBondContact OD1-CD 3.4Å; N87-V90 WeakPolarHBondContact O-CG1 3.46Å; N87-V90 WeakPolarHBondContact O-CG2 3.46Å; N87-V90 PolarHBondContact O-N 2.83Å; N87-G95 VanDerWaalsContact OD1-CA 3.31Å; N87-G95 WeakPolarHBondContact OD1-CA 3.45Å; N87-A96 PolarHBondContact OD1-N 2.86Å; N87-S138 VanDerWaalsContact CB-O 3.25Å; N87-S138 WeakPolarHBondContact CB-O 3.45Å; N87-S138 PolarHBondContact ND2-O 3.3Å; N87-P142 HydrophobicContact CB-CG 4.14Å
88	T	97.5	Very high	98.2	Very high	96 Å²	96	42.1 Å²	42.1	59%	0.589	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-63.3	-27.6	-173	52.5	0	0	0	0	115.9	V90 V91	T88-V90 PolarHBondContact O-N 2.67Å; T88-V91 WeakPolarHBondContact O-CG1 3.17Å; T88-V91 PolarHBondContact O-N 3.45Å
89	P	98.4	Very high	98.2	Very high	30 Å²	30	40.1 Å²	40.1	20%	0.195	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.1	-8.9	174.3	-31	38.4	0	0	0	117.2	N87 V91 V92 Q93 E94 P142	N87-P89 WeakPolarHBondContact OD1-CD 3.4Å; P89-V91 PolarHBondContact O-N 3.41Å; P89-V92 HydrophobicContact CB-CG2 4.42Å; P89-V92 CarbonylContact O-C 3.54Å; P89-V92 WeakPolarHBondContact O-CG2 3.43Å; P89-V92 PolarHBondContact O-N 3.05Å; P89-Q93 PolarHBondContact O-N 3.11Å; P89-E94 HydrophobicContact CB-CB 4.43Å; P89-E94 VanDerWaalsContact CB-O 3.3Å; P89-E94 WeakPolarHBondContact CB-O 3.43Å; P89-E94 PolarHBondContact O-N 3.27Å; P89-E94 VanDerWaalsContact O-N 3.16Å; P89-P142 HydrophobicContact CG-CB 4.41Å; P89-P142 HydrophobicContact CG-CG 3.85Å
90	V	98.3	Very high	98.3	Very high	42 Å²	42	40.2 Å²	40.2	26%	0.255	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-53	-26.9	168.7	-65.3	0	0	0	0	112.9	T86 N87 T88 V92 Q93 V120	T86-V90 VanDerWaalsContact OG1-CG1 3.25Å; T86-V90 WeakPolarHBondContact OG1-CG1 3.4Å; N87-V90 WeakPolarHBondContact O-CG1 3.46Å; N87-V90 WeakPolarHBondContact O-CG2 3.46Å; N87-V90 PolarHBondContact O-N 2.83Å; T88-V90 PolarHBondContact O-N 2.67Å; V90-V92 PolarHBondContact O-N 3.48Å; V90-Q93 PolarHBondContact O-N 3.49Å; V90-Q93 VanDerWaalsContact O-N 3.11Å; V90-V120 HydrophobicContact CB-CB 4.13Å; V90-V120 HydrophobicContact CB-CG2 4.07Å; V90-V120 HydrophobicContact CG1-CB 4.41Å; V90-V120 HydrophobicContact CG1-CG2 3.94Å
91	V	97.6	Very high	98.3	Very high	126 Å²	126	41 Å²	41	76%	0.764	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-64.8	-22.8	177.2	73.1	0	0	0	0	113.3	T88 P89	T88-V91 WeakPolarHBondContact O-CG1 3.17Å; T88-V91 PolarHBondContact O-N 3.45Å; P89-V91 PolarHBondContact O-N 3.41Å
92	V	98.1	Very high	98.2	Very high	98 Å²	98	41.5 Å²	41.5	59%	0.594	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-114.7	18.5	174.8	-64.8	0	0	0	0	112.1	P89 V90 E94	P89-V92 HydrophobicContact CB-CG2 4.42Å; P89-V92 CarbonylContact O-C 3.54Å; P89-V92 WeakPolarHBondContact O-CG2 3.43Å; P89-V92 PolarHBondContact O-N 3.05Å; V90-V92 PolarHBondContact O-N 3.48Å; V92-E94 HydrophobicContact CG2-CB 4.31Å; V92-E94 PolarHBondContact O-N 3.22Å
93	Q	98.4	Very high	98.2	Very high	133 Å²	133	46.5 Å²	46.5	62%	0.621	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	20.8	178.8	-56.5	177.4	-12.5	0	0	115.3	P89 V90 V120 G121	P89-Q93 PolarHBondContact O-N 3.11Å; V90-Q93 PolarHBondContact O-N 3.49Å; V90-Q93 VanDerWaalsContact O-N 3.11Å; Q93-V120 CarbonylContact C-O 3.5Å; Q93-V120 WeakPolarHBondContact CA-O 3.46Å; Q93-V120 CarbonylContact O-C 3.5Å; Q93-G121 WeakPolarHBondContact O-CA 3.46Å
94	E	98.6	Very high	98.2	Very high	149 Å²	149	49.2 Å²	49.2	70%	0.696	28%	0.281	S	S	*	.			trans	-116.5	33	178	-65.8	-65.7	167.6	0	0	110.9	P89 V92	P89-E94 HydrophobicContact CB-CB 4.43Å; P89-E94 VanDerWaalsContact CB-O 3.3Å; P89-E94 WeakPolarHBondContact CB-O 3.43Å; P89-E94 PolarHBondContact O-N 3.27Å; P89-E94 VanDerWaalsContact O-N 3.16Å; V92-E94 HydrophobicContact CG2-CB 4.31Å; V92-E94 PolarHBondContact O-N 3.22Å
95	G	98.4	Very high	98.3	Very high	3 Å²	3	50 Å²	50	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	154.6	178.5	0	0	0	0	0	112.8	N87 V120 G121 F122	N87-G95 VanDerWaalsContact OD1-CA 3.31Å; N87-G95 WeakPolarHBondContact OD1-CA 3.45Å; G95-V120 PolarHBondContact N-O 3Å; G95-G121 CarbonylContact O-C 3.19Å; G95-G121 WeakPolarHBondContact O-CA 3.35Å; G95-F122 PolarHBondContact O-N 3.4Å
96	A	98.4	Very high	98.3	Very high	27 Å²	27	52.6 Å²	52.6	22%	0.223	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	110.6	165.6	0	0	0	0	0	108.5	N87	N87-A96 PolarHBondContact OD1-N 2.86Å
97	T	98.6	Very high	98.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.1	-173.1	-55.2	0	0	0	0	110.6	C84 M85 T86 M117 F122 C123 T124	C84-T97 WeakPolarHBondContact SG-CG2 3.3Å; M85-T97 CarbonylContact O-C 3.58Å; M85-T97 VanDerWaalsContact O-CA 3.25Å; M85-T97 WeakPolarHBondContact O-CA 3.49Å; M85-T97 WeakPolarHBondContact O-CG2 3.41Å; T86-T97 WeakPolarHBondContact CB-OG1 3.46Å; T86-T97 PolarHBondContact OG1-OG1 2.88Å; T97-M117 HydrophobicContact CG2-CB 4.04Å; T97-M117 HydrophobicContact CG2-CE 3.79Å; T97-M117 HydrophobicContact CG2-CG 4.1Å; T97-F122 WeakPolarHBondContact CB-O 3.27Å; T97-F122 PolarHBondContact N-O 3.25Å; T97-C123 VanDerWaalsContact O-CA 3.29Å; T97-C123 WeakPolarHBondContact O-CA 3.46Å; T97-T124 PolarHBondContact O-N 3.22Å
98	V	98.5	Very high	98.3	Very high	10 Å²	10	61.4 Å²	61.4	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.3	164.8	-58.8	0	0	0	0	109.9	C84 M85 T124 V126 I131 V134	C84-V98 WeakPolarHBondContact CA-O 3.36Å; M85-V98 HydrophobicContact CB-CG2 3.93Å; M85-V98 PolarHBondContact N-O 2.85Å; M85-V98 PolarHBondContact O-N 3.49Å; V98-T124 VanDerWaalsContact CA-O 3.27Å; V98-T124 WeakPolarHBondContact CA-O 3.25Å; V98-T124 HydrophobicContact CG1-CG2 4.06Å; V98-V126 HydrophobicContact CB-CG1 4.01Å; V98-V126 HydrophobicContact CB-CG2 3.73Å; V98-V126 HydrophobicContact CG1-CG1 3.92Å; V98-V126 HydrophobicContact CG1-CG2 4.48Å; V98-V126 HydrophobicContact CG2-CG2 3.89Å; V98-I131 HydrophobicContact CG2-CG1 4.25Å; V98-V134 HydrophobicContact CB-CG1 4.45Å; V98-V134 HydrophobicContact CG1-CG1 3.97Å; V98-V134 HydrophobicContact CG1-CG2 4.29Å; V98-V134 HydrophobicContact CG2-CB 4Å; V98-V134 HydrophobicContact CG2-CG1 3.61Å; V98-V134 HydrophobicContact CG2-CG2 4.12Å
99	Y	98.8	Very high	98.4	Very high	3 Å²	3	57.3 Å²	57.3	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.5	174.3	71.4	-87.8	0	0	0	112.3	I82 R83 T101 L113 E114 T124 E125 V126	I82-Y99 HydrophobicContact CG2-CD2 3.99Å; I82-Y99 HydrophobicContact CG2-CG 4.37Å; R83-Y99 CarbonylContact O-C 3.54Å; R83-Y99 WeakPolarHBondContact O-CA 3.42Å; R83-Y99 WeakPolarHBondContact O-CB 3.15Å; Y99-T101 HydrophobicContact CD2-CG2 4.27Å; Y99-T101 HydrophobicContact CE2-CG2 4.05Å; Y99-L113 HydrophobicContact CD2-CD2 4.37Å; Y99-L113 HydrophobicContact CG-CD2 4.01Å; Y99-E114 HydrophobicContact CE1-CB 3.71Å; Y99-E114 HydrophobicContact CE1-CG 3.99Å; Y99-E114 PolarHBondContact OH-OE2 3.28Å; Y99-T124 PolarHBondContact N-O 2.89Å; Y99-T124 VanDerWaalsContact N-O 3.16Å; Y99-E125 HydrophobicContact CD2-CG 4.2Å; Y99-E125 HydrophobicContact CE1-CB 4.07Å; Y99-E125 HydrophobicContact CE2-CB 3.84Å; Y99-E125 HydrophobicContact CE2-CG 3.66Å; Y99-E125 CarbonylContact O-C 3.58Å; Y99-E125 WeakPolarHBondContact O-CA 3.15Å; Y99-E125 PolarHBondContact OH-OE2 2.94Å; Y99-V126 PolarHBondContact O-N 2.97Å
100	A	98.8	Very high	98.4	Very high	4 Å²	4	56 Å²	56	3%	0.033	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.3	171.4	0	0	0	0	0	109.3	I65 I82 R83 V126 E128 I131	I65-A100 HydrophobicContact CD1-CB 4.05Å; I65-A100 WeakPolarHBondContact CD1-O 3.39Å; I82-A100 WeakPolarHBondContact CG2-O 3.37Å; R83-A100 PolarHBondContact N-O 2.86Å; R83-A100 PolarHBondContact O-N 3.13Å; A100-V126 WeakPolarHBondContact CB-O 3.12Å; A100-E128 HydrophobicContact CB-CB 3.92Å; A100-E128 HydrophobicContact CB-CG 4.49Å; A100-I131 HydrophobicContact CB-CD1 3.71Å
101	T	98.8	Very high	98.4	Very high	52 Å²	52	58.9 Å²	58.9	32%	0.319	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.6	-179.1	58.2	0	0	0	0	112	Y99	Y99-T101 HydrophobicContact CD2-CG2 4.27Å; Y99-T101 HydrophobicContact CE2-CG2 4.05Å
102	G	98.4	Very high	98.4	Very high	10 Å²	10	56.7 Å²	56.7	10%	0.103	31%	0.307	C	S	.	.			trans	-80.3	179.1	175.7	0	0	0	0	0	114.4	V81 H104 A105	V81-G102 VanDerWaalsContact O-CA 3.31Å; V81-G102 WeakPolarHBondContact O-CA 3.37Å; V81-G102 PolarHBondContact O-N 3.43Å; G102-H104 PolarHBondContact O-N 3.41Å; G102-H104 VanDerWaalsContact O-N 3.15Å; G102-A105 PolarHBondContact O-N 3.36Å
103	T	98.4	Very high	98.5	Very high	105 Å²	105	52.2 Å²	52.2	64%	0.644	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.3	-171.1	-49.2	0	0	0	0	112.8	E69	E69-T103 WeakPolarHBondContact OE1-CB 3.27Å; E69-T103 PolarHBondContact OE1-N 2.84Å; E69-T103 PolarHBondContact OE1-OG1 3.3Å; E69-T103 WeakPolarHBondContact OE2-CB 3.21Å; E69-T103 PolarHBondContact OE2-OG1 2.75Å
104	H	98.4	Very high	98.5	Very high	64 Å²	64	49.1 Å²	49.1	30%	0.296	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	4.3	-174.8	-52.9	-68.7	0	0	0	113.9	A78 G102	A78-H104 HydrophobicContact CB-CB 4.17Å; G102-H104 PolarHBondContact O-N 3.41Å; G102-H104 VanDerWaalsContact O-N 3.15Å
105	A	98.2	Very high	98.5	Very high	19 Å²	19	48.5 Å²	48.5	16%	0.157	26%	0.263	C	S	.	.			trans	-71.2	136	173	0	0	0	0	0	109.7	I82 G102	I82-A105 HydrophobicContact CG1-CB 4.28Å; G102-A105 PolarHBondContact O-N 3.36Å
106	L	98.1	Very high	98.5	Very high	79 Å²	79	51.8 Å²	51.8	41%	0.414	28%	0.279	S	S	.	.			trans	-83.1	159.3	174.8	-55.8	179.1	0	0	0	110	E108 D109 G110	L106-E108 HydrophobicContact CB-CG 3.72Å; L106-E108 HydrophobicContact CD1-CG 4.21Å; L106-E108 WeakPolarHBondContact CD1-OE1 3.43Å; L106-E108 PolarHBondContact O-N 2.77Å; L106-D109 WeakPolarHBondContact CB-OD2 3.45Å; L106-D109 PolarHBondContact N-OD2 3.18Å; L106-D109 WeakPolarHBondContact O-CB 3.25Å; L106-D109 PolarHBondContact O-N 2.74Å; L106-G110 PolarHBondContact O-N 3.5Å
107	V	97.8	Very high	98.5	Very high	115 Å²	115	51.3 Å²	51.3	70%	0.697	27%	0.273	S	S	*	.	H	α-helix	trans	-54.8	-41	175.6	176.9	0	0	0	0	111.3	D109 G110 Q111	V107-D109 VanDerWaalsContact C-N 3.31Å; V107-D109 PolarHBondContact O-N 3.01Å; V107-G110 PolarHBondContact O-N 3.21Å; V107-Q111 WeakPolarHBondContact O-CG 3.35Å; V107-Q111 PolarHBondContact O-N 2.87Å
108	E	98.3	Very high	98.5	Very high	124 Å²	124	54 Å²	54	58%	0.579	29%	0.292	S	S	*	.	H	α-helix	trans	-64.9	-28.9	176.1	60.3	-156.9	-144	0	0	113.9	L106 L112	L106-E108 HydrophobicContact CB-CG 3.72Å; L106-E108 HydrophobicContact CD1-CG 4.21Å; L106-E108 WeakPolarHBondContact CD1-OE1 3.43Å; L106-E108 PolarHBondContact O-N 2.77Å; E108-L112 VanDerWaalsContact O-CB 3.29Å; E108-L112 WeakPolarHBondContact O-CB 3.31Å; E108-L112 PolarHBondContact O-N 3.46Å
109	D	98.6	Very high	98.5	Very high	10 Å²	10	57 Å²	57	5%	0.053	31%	0.313	C	S	.	.	H	α-helix	trans	-70.3	-40.6	176.6	-58.6	-41.2	0	0	0	110.3	I55 K80 I82 L106 V107 L113	I55-D109 HydrophobicContact CD1-CB 3.83Å; I55-D109 VanDerWaalsContact CD1-OD1 3.31Å; I55-D109 WeakPolarHBondContact CD1-OD1 3.33Å; I55-D109 HydrophobicContact CG1-CB 4.15Å; I55-D109 HydrophobicContact CG2-CB 4.47Å; K80-D109 WeakPolarHBondContact CD-OD2 3.3Å; K80-D109 VanDerWaalsContact CE-OD2 3.24Å; K80-D109 WeakPolarHBondContact CE-OD2 3.19Å; K80-D109 VanDerWaalsContact NZ-CG 3.32Å; K80-D109 IonicContact NZ-OD1 2.69Å; K80-D109 PolarHBondContact NZ-OD1 2.87Å; K80-D109 IonicContact NZ-OD2 3.65Å; K80-D109 PolarHBondContact NZ-OD2 3.2Å; I82-D109 HydrophobicContact CD1-CB 4.26Å; L106-D109 WeakPolarHBondContact CB-OD2 3.45Å; L106-D109 PolarHBondContact N-OD2 3.18Å; L106-D109 WeakPolarHBondContact O-CB 3.25Å; L106-D109 PolarHBondContact O-N 2.74Å; V107-D109 VanDerWaalsContact C-N 3.31Å; V107-D109 PolarHBondContact O-N 3.01Å; D109-L113 PolarHBondContact O-N 3.19Å; D109-L113 VanDerWaalsContact O-N 3.11Å
110	G	98.6	Very high	98.5	Very high	2 Å²	2	58.7 Å²	58.7	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-48.8	173.6	0	0	0	0	0	112.1	L106 V107 L112 L113 E114	L106-G110 PolarHBondContact O-N 3.5Å; V107-G110 PolarHBondContact O-N 3.21Å; G110-L112 VanDerWaalsContact C-N 3.3Å; G110-L112 PolarHBondContact O-N 3.08Å; G110-L113 PolarHBondContact O-N 3.13Å; G110-L113 VanDerWaalsContact O-N 3.12Å; G110-E114 PolarHBondContact O-N 2.77Å
111	Q	98.5	Very high	98.5	Very high	103 Å²	103	59.3 Å²	59.3	48%	0.481	33%	0.33	S	S	.	.	H	α-helix	trans	-59.2	-39.6	176.7	-71.6	175.5	-9.5	0	0	112.5	V107 E114 Q115	V107-Q111 WeakPolarHBondContact O-CG 3.35Å; V107-Q111 PolarHBondContact O-N 2.87Å; Q111-E114 PolarHBondContact O-N 3.27Å; Q111-Q115 WeakPolarHBondContact O-CB 3.46Å; Q111-Q115 VanDerWaalsContact O-CG 3.28Å; Q111-Q115 WeakPolarHBondContact O-CG 3.29Å; Q111-Q115 PolarHBondContact O-N 2.71Å
112	L	98.8	Very high	98.5	Very high	80 Å²	80	63 Å²	63	42%	0.419	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-44.8	175.4	176.9	62.9	0	0	0	111.3	V29 I55 E108 G110 Q115 L116	V29-L112 HydrophobicContact CG2-CD2 4.04Å; I55-L112 HydrophobicContact CD1-CD2 3.84Å; E108-L112 VanDerWaalsContact O-CB 3.29Å; E108-L112 WeakPolarHBondContact O-CB 3.31Å; E108-L112 PolarHBondContact O-N 3.46Å; G110-L112 VanDerWaalsContact C-N 3.3Å; G110-L112 PolarHBondContact O-N 3.08Å; L112-Q115 PolarHBondContact O-N 3.26Å; L112-L116 WeakPolarHBondContact O-CB 3.27Å; L112-L116 PolarHBondContact O-N 2.97Å
113	L	98.6	Very high	98.5	Very high	5 Å²	5	63 Å²	63	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-64.9	-43.2	177.7	-176.6	65.7	0	0	0	111.5	F31 V57 I82 C84 Y99 D109 G110 Q115 L116 M117	F31-L113 HydrophobicContact CE1-CD1 4.2Å; F31-L113 HydrophobicContact CZ-CD1 3.91Å; V57-L113 HydrophobicContact CG1-CD1 4.13Å; V57-L113 HydrophobicContact CG1-CD2 4.09Å; V57-L113 HydrophobicContact CG2-CD1 4.09Å; V57-L113 HydrophobicContact CG2-CD2 4.49Å; I82-L113 HydrophobicContact CB-CD2 4.08Å; I82-L113 HydrophobicContact CD1-CB 4.14Å; I82-L113 HydrophobicContact CD1-CD2 4.1Å; I82-L113 HydrophobicContact CG2-CD2 3.3Å; C84-L113 HydrophobicContact CB-CD2 4.49Å; Y99-L113 HydrophobicContact CD2-CD2 4.37Å; Y99-L113 HydrophobicContact CG-CD2 4.01Å; D109-L113 PolarHBondContact O-N 3.19Å; D109-L113 VanDerWaalsContact O-N 3.11Å; G110-L113 PolarHBondContact O-N 3.13Å; G110-L113 VanDerWaalsContact O-N 3.12Å; L113-Q115 PolarHBondContact O-N 2.93Å; L113-L116 PolarHBondContact O-N 3.16Å; L113-M117 HydrophobicContact CD1-CG 3.77Å; L113-M117 HydrophobicContact CD1-SD 4.42Å; L113-M117 HydrophobicContact CG-CG 4.09Å; L113-M117 WeakPolarHBondContact O-CB 3.49Å; L113-M117 WeakPolarHBondContact O-CG 3.42Å; L113-M117 PolarHBondContact O-N 3.4Å
114	E	98.7	Very high	98.5	Very high	67 Å²	67	60.5 Å²	60.5	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-59.8	-46.4	178	-169.8	177.8	-169.8	0	0	111.1	Y99 G110 Q111 L116 M117 S118 C123	Y99-E114 HydrophobicContact CE1-CB 3.71Å; Y99-E114 HydrophobicContact CE1-CG 3.99Å; Y99-E114 PolarHBondContact OH-OE2 3.28Å; G110-E114 PolarHBondContact O-N 2.77Å; Q111-E114 PolarHBondContact O-N 3.27Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 3.01Å; E114-M117 PolarHBondContact O-N 3.47Å; E114-S118 WeakPolarHBondContact O-CB 3.39Å; E114-S118 PolarHBondContact O-N 2.8Å; E114-S118 PolarHBondContact O-OG 2.77Å; E114-C123 HydrophobicContact CG-CB 4.44Å
115	Q	98.7	Very high	98.5	Very high	136 Å²	136	62 Å²	62	64%	0.636	33%	0.332	S	S	*	.	H	α-helix	trans	-60.3	-44	175.2	-73.5	176	20.8	0	0	112	Q111 L112 L113 S119	Q111-Q115 WeakPolarHBondContact O-CB 3.46Å; Q111-Q115 VanDerWaalsContact O-CG 3.28Å; Q111-Q115 WeakPolarHBondContact O-CG 3.29Å; Q111-Q115 PolarHBondContact O-N 2.71Å; L112-Q115 PolarHBondContact O-N 3.26Å; L113-Q115 PolarHBondContact O-N 2.93Å; Q115-S119 PolarHBondContact O-N 3.25Å
116	L	98.6	Very high	98.5	Very high	73 Å²	73	62.6 Å²	62.6	38%	0.382	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-49.6	179.3	179	62.3	0	0	0	111.4	F31 L112 L113 E114 S119	F31-L116 HydrophobicContact CE2-CD2 3.83Å; F31-L116 HydrophobicContact CZ-CD2 3.8Å; L112-L116 WeakPolarHBondContact O-CB 3.27Å; L112-L116 PolarHBondContact O-N 2.97Å; L113-L116 PolarHBondContact O-N 3.16Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 3.01Å; L116-S119 WeakPolarHBondContact O-CB 3.33Å; L116-S119 PolarHBondContact O-N 2.87Å; L116-S119 PolarHBondContact O-OG 2.87Å
117	M	98.6	Very high	98.5	Very high	16 Å²	16	65.7 Å²	65.7	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-75.3	-27	-176.8	-64.4	-54.1	-63.2	0	0	112.5	F31 T86 T97 L113 E114 S119 V120 G121 C123	F31-M117 HydrophobicContact CE1-SD 4.18Å; F31-M117 HydrophobicContact CZ-SD 4.11Å; T86-M117 HydrophobicContact CG2-CE 4.42Å; T97-M117 HydrophobicContact CG2-CB 4.04Å; T97-M117 HydrophobicContact CG2-CE 3.79Å; T97-M117 HydrophobicContact CG2-CG 4.1Å; L113-M117 HydrophobicContact CD1-CG 3.77Å; L113-M117 HydrophobicContact CD1-SD 4.42Å; L113-M117 HydrophobicContact CG-CG 4.09Å; L113-M117 WeakPolarHBondContact O-CB 3.49Å; L113-M117 WeakPolarHBondContact O-CG 3.42Å; L113-M117 PolarHBondContact O-N 3.4Å; E114-M117 PolarHBondContact O-N 3.47Å; M117-S119 PolarHBondContact O-N 3.16Å; M117-V120 HydrophobicContact CE-CG2 4.27Å; M117-V120 WeakPolarHBondContact O-CG2 3.35Å; M117-V120 PolarHBondContact O-N 2.88Å; M117-V120 VanDerWaalsContact O-N 3.14Å; M117-G121 PolarHBondContact O-N 3.29Å; M117-C123 HydrophobicContact CB-CB 3.97Å; M117-C123 VanDerWaalsContact CB-SG 3.57Å
118	S	98.6	Very high	98.5	Very high	58 Å²	58	62.6 Å²	62.6	41%	0.406	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-22	172.7	-62.8	0	0	0	0	112.9	E114 V120 G121	E114-S118 WeakPolarHBondContact O-CB 3.39Å; E114-S118 PolarHBondContact O-N 2.8Å; E114-S118 PolarHBondContact O-OG 2.77Å; S118-V120 PolarHBondContact O-N 2.69Å; S118-G121 CarbonylContact C-O 3.54Å; S118-G121 VanDerWaalsContact CA-O 3.27Å; S118-G121 WeakPolarHBondContact CA-O 3.25Å
119	S	98.4	Very high	98.5	Very high	72 Å²	72	62.9 Å²	62.9	50%	0.503	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.1	174.5	76.8	0	0	0	0	113.8	Q115 L116 M117	Q115-S119 PolarHBondContact O-N 3.25Å; L116-S119 WeakPolarHBondContact O-CB 3.33Å; L116-S119 PolarHBondContact O-N 2.87Å; L116-S119 PolarHBondContact O-OG 2.87Å; M117-S119 PolarHBondContact O-N 3.16Å
120	V	98.5	Very high	98.4	Very high	38 Å²	38	66.5 Å²	66.5	23%	0.23	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	15.9	-178.6	-63.7	0	0	0	0	113.1	V90 Q93 G95 M117 S118	V90-V120 HydrophobicContact CB-CB 4.13Å; V90-V120 HydrophobicContact CB-CG2 4.07Å; V90-V120 HydrophobicContact CG1-CB 4.41Å; V90-V120 HydrophobicContact CG1-CG2 3.94Å; Q93-V120 CarbonylContact C-O 3.5Å; Q93-V120 WeakPolarHBondContact CA-O 3.46Å; Q93-V120 CarbonylContact O-C 3.5Å; G95-V120 PolarHBondContact N-O 3Å; M117-V120 HydrophobicContact CE-CG2 4.27Å; M117-V120 WeakPolarHBondContact O-CG2 3.35Å; M117-V120 PolarHBondContact O-N 2.88Å; M117-V120 VanDerWaalsContact O-N 3.14Å; S118-V120 PolarHBondContact O-N 2.69Å
121	G	98.5	Very high	98.3	Very high	17 Å²	17	66.5 Å²	66.5	18%	0.175	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.9	-158.3	174	0	0	0	0	0	113.5	Q93 G95 M117 S118	Q93-G121 WeakPolarHBondContact O-CA 3.46Å; G95-G121 CarbonylContact O-C 3.19Å; G95-G121 WeakPolarHBondContact O-CA 3.35Å; M117-G121 PolarHBondContact O-N 3.29Å; S118-G121 CarbonylContact C-O 3.54Å; S118-G121 VanDerWaalsContact CA-O 3.27Å; S118-G121 WeakPolarHBondContact CA-O 3.25Å
122	F	98.6	Very high	97.9	Very high	131 Å²	131	65.9 Å²	65.9	58%	0.575	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.4	173.1	174	-99.2	0	0	0	111	G95 T97 T124	G95-F122 PolarHBondContact O-N 3.4Å; T97-F122 WeakPolarHBondContact CB-O 3.27Å; T97-F122 PolarHBondContact N-O 3.25Å; F122-T124 HydrophobicContact CE1-CG2 3.63Å; F122-T124 HydrophobicContact CZ-CG2 3.57Å
123	C	98.7	Very high	97.7	Very high	10 Å²	10	65.4 Å²	65.4	7%	0.068	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.9	171.8	-165.6	0	0	0	0	110.8	T97 E114 M117	T97-C123 VanDerWaalsContact O-CA 3.29Å; T97-C123 WeakPolarHBondContact O-CA 3.46Å; E114-C123 HydrophobicContact CG-CB 4.44Å; M117-C123 HydrophobicContact CB-CB 3.97Å; M117-C123 VanDerWaalsContact CB-SG 3.57Å
124	T	98.4	Very high	97.4	Very high	51 Å²	51	66.6 Å²	66.6	31%	0.313	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	152.3	172.5	-172.5	0	0	0	0	111	T97 V98 Y99 F122 V126	T97-T124 PolarHBondContact O-N 3.22Å; V98-T124 VanDerWaalsContact CA-O 3.27Å; V98-T124 WeakPolarHBondContact CA-O 3.25Å; V98-T124 HydrophobicContact CG1-CG2 4.06Å; Y99-T124 PolarHBondContact N-O 2.89Å; Y99-T124 VanDerWaalsContact N-O 3.16Å; F122-T124 HydrophobicContact CE1-CG2 3.63Å; F122-T124 HydrophobicContact CZ-CG2 3.57Å; T124-V126 HydrophobicContact CG2-CG1 4.24Å
125	E	98.6	Very high	97.1	Very high	97 Å²	97	64.8 Å²	64.8	45%	0.453	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	145.2	168.6	-163.9	165.4	-178.6	0	0	111.5	Y99	Y99-E125 HydrophobicContact CD2-CG 4.2Å; Y99-E125 HydrophobicContact CE1-CB 4.07Å; Y99-E125 HydrophobicContact CE2-CB 3.84Å; Y99-E125 HydrophobicContact CE2-CG 3.66Å; Y99-E125 CarbonylContact O-C 3.58Å; Y99-E125 WeakPolarHBondContact O-CA 3.15Å; Y99-E125 PolarHBondContact OH-OE2 2.94Å
126	V	98.4	Very high	96.7	Very high	31 Å²	31	60.1 Å²	60.1	19%	0.188	34%	0.344	C	S	.	.			trans	-144.5	163.1	174.1	-60.6	0	0	0	0	110.4	V98 Y99 A100 T124 L130 I131	V98-V126 HydrophobicContact CB-CG1 4.01Å; V98-V126 HydrophobicContact CB-CG2 3.73Å; V98-V126 HydrophobicContact CG1-CG1 3.92Å; V98-V126 HydrophobicContact CG1-CG2 4.48Å; V98-V126 HydrophobicContact CG2-CG2 3.89Å; Y99-V126 PolarHBondContact O-N 2.97Å; A100-V126 WeakPolarHBondContact CB-O 3.12Å; T124-V126 HydrophobicContact CG2-CG1 4.24Å; V126-L130 HydrophobicContact CB-CD1 4.48Å; V126-I131 HydrophobicContact CG2-CD1 4.47Å; V126-I131 HydrophobicContact CG2-CG1 3.83Å
127	E	98.1	Very high	96.6	Very high	143 Å²	143	62.9 Å²	62.9	67%	0.668	36%	0.359	S	S	*	.			trans	-63.8	143.2	166.1	-63.2	-59.9	148	0	0	111	D129 L130	E127-D129 VanDerWaalsContact CB-OD1 3.26Å; E127-D129 WeakPolarHBondContact CB-OD1 3.25Å; E127-D129 PolarHBondContact O-N 3.31Å; E127-L130 HydrophobicContact CB-CD1 4.37Å; E127-L130 HydrophobicContact CB-CG 4.36Å; E127-L130 WeakPolarHBondContact O-CB 3.16Å; E127-L130 PolarHBondContact O-N 3.33Å; E127-L130 VanDerWaalsContact O-N 3.12Å
128	E	98.3	Very high	96.3	Very high	51 Å²	51	63.3 Å²	63.3	24%	0.238	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-59	-35.3	-174.9	-174	-178.2	-170.7	0	0	112.6	T64 I65 R83 A100 L130 I131	T64-E128 WeakPolarHBondContact CA-OE1 3.41Å; T64-E128 WeakPolarHBondContact CB-OE1 3.18Å; I65-E128 HydrophobicContact CD1-CB 4.38Å; I65-E128 HydrophobicContact CD1-CG 4.19Å; I65-E128 HydrophobicContact CG1-CG 4.47Å; I65-E128 PolarHBondContact N-OE1 2.99Å; R83-E128 VanDerWaalsContact CD-OE1 3.27Å; R83-E128 WeakPolarHBondContact CD-OE1 3.18Å; R83-E128 IonicContact CZ-OE1 2.82Å; R83-E128 IonicContact NE-OE1 2.72Å; R83-E128 IonicContact NH1-OE1 2.8Å; R83-E128 PolarHBondContact NH1-OE1 3.14Å; A100-E128 HydrophobicContact CB-CB 3.92Å; A100-E128 HydrophobicContact CB-CG 4.49Å; E128-L130 PolarHBondContact O-N 3.18Å; E128-I131 HydrophobicContact CG-CD1 4.43Å; E128-I131 VanDerWaalsContact O-CB 3.32Å; E128-I131 WeakPolarHBondContact O-CB 3.46Å; E128-I131 PolarHBondContact O-N 3.09Å; E128-I131 VanDerWaalsContact O-N 3.09Å
129	D	97	Very high	96	Very high	129 Å²	129	61.6 Å²	61.6	69%	0.69	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-67	-20.5	-178.1	66.7	-11.7	0	0	0	113.5	E127	E127-D129 VanDerWaalsContact CB-OD1 3.26Å; E127-D129 WeakPolarHBondContact CB-OD1 3.25Å; E127-D129 PolarHBondContact O-N 3.31Å
130	L	97	Very high	95.9	Very high	87 Å²	87	60.4 Å²	60.4	46%	0.455	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-79.8	-19.4	174.2	-60.6	179.4	0	0	0	112.8	V126 E127 E128 D132 A133 V134	V126-L130 HydrophobicContact CB-CD1 4.48Å; E127-L130 HydrophobicContact CB-CD1 4.37Å; E127-L130 HydrophobicContact CB-CG 4.36Å; E127-L130 WeakPolarHBondContact O-CB 3.16Å; E127-L130 PolarHBondContact O-N 3.33Å; E127-L130 VanDerWaalsContact O-N 3.12Å; E128-L130 PolarHBondContact O-N 3.18Å; L130-D132 VanDerWaalsContact C-N 3.27Å; L130-D132 PolarHBondContact O-N 3.36Å; L130-A133 WeakPolarHBondContact O-CB 3.43Å; L130-A133 PolarHBondContact O-N 2.83Å; L130-A133 VanDerWaalsContact O-N 3.1Å; L130-V134 WeakPolarHBondContact O-CG2 3.48Å; L130-V134 PolarHBondContact O-N 3.12Å
131	I	96.5	Very high	95.8	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-34.2	-173	-67.4	-176.5	0	0	0	112.1	R83 M85 V98 A100 V126 E128 V134 T135	R83-I131 HydrophobicContact CB-CD1 4.25Å; R83-I131 HydrophobicContact CG-CD1 3.87Å; M85-I131 HydrophobicContact CB-CG2 3.69Å; M85-I131 HydrophobicContact CG-CG2 4.19Å; V98-I131 HydrophobicContact CG2-CG1 4.25Å; A100-I131 HydrophobicContact CB-CD1 3.71Å; V126-I131 HydrophobicContact CG2-CD1 4.47Å; V126-I131 HydrophobicContact CG2-CG1 3.83Å; E128-I131 HydrophobicContact CG-CD1 4.43Å; E128-I131 VanDerWaalsContact O-CB 3.32Å; E128-I131 WeakPolarHBondContact O-CB 3.46Å; E128-I131 PolarHBondContact O-N 3.09Å; E128-I131 VanDerWaalsContact O-N 3.09Å; I131-V134 PolarHBondContact O-N 3.1Å; I131-T135 WeakPolarHBondContact O-CB 3.26Å; I131-T135 PolarHBondContact O-N 3.12Å; I131-T135 PolarHBondContact O-OG1 2.76Å
132	D	91.3	Very high	95.7	Very high	90 Å²	90	59.5 Å²	59.5	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-68	-38.6	178.2	-69.1	-12.5	0	0	0	111.3	R83 L130 T135 G136	R83-D132 IonicContact CZ-OD1 3.23Å; R83-D132 IonicContact NH2-OD1 2.97Å; R83-D132 PolarHBondContact NH2-OD1 3.42Å; L130-D132 VanDerWaalsContact C-N 3.27Å; L130-D132 PolarHBondContact O-N 3.36Å; D132-T135 WeakPolarHBondContact O-CB 3.29Å; D132-T135 PolarHBondContact O-N 3.21Å; D132-G136 PolarHBondContact O-N 2.87Å
133	A	93.9	Very high	95.7	Very high	69 Å²	69	55.8 Å²	55.8	57%	0.57	34%	0.335	S	S	*	.	H	α-helix	trans	-65.9	-42.8	173.8	0	0	0	0	0	111.5	L130 T135 G136 L137	L130-A133 WeakPolarHBondContact O-CB 3.43Å; L130-A133 PolarHBondContact O-N 2.83Å; L130-A133 VanDerWaalsContact O-N 3.1Å; A133-T135 VanDerWaalsContact C-N 3.29Å; A133-T135 PolarHBondContact O-N 2.99Å; A133-G136 PolarHBondContact O-N 3.41Å; A133-L137 PolarHBondContact O-N 3.35Å; A133-L137 VanDerWaalsContact O-N 3.17Å
134	V	92.3	Very high	95.7	Very high	30 Å²	30	61.8 Å²	61.8	18%	0.182	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-40	175.2	177	0	0	0	0	111.1	M85 V98 L130 I131 G136 L137 S138 G139	M85-V134 HydrophobicContact SD-CG1 4.25Å; V98-V134 HydrophobicContact CB-CG1 4.45Å; V98-V134 HydrophobicContact CG1-CG1 3.97Å; V98-V134 HydrophobicContact CG1-CG2 4.29Å; V98-V134 HydrophobicContact CG2-CB 4Å; V98-V134 HydrophobicContact CG2-CG1 3.61Å; V98-V134 HydrophobicContact CG2-CG2 4.12Å; L130-V134 WeakPolarHBondContact O-CG2 3.48Å; L130-V134 PolarHBondContact O-N 3.12Å; I131-V134 PolarHBondContact O-N 3.1Å; V134-G136 VanDerWaalsContact C-N 3.31Å; V134-G136 PolarHBondContact O-N 3.24Å; V134-L137 CarbonylContact O-C 3.49Å; V134-L137 PolarHBondContact O-N 2.99Å; V134-L137 VanDerWaalsContact O-N 3.12Å; V134-S138 WeakPolarHBondContact CG1-OG 3.48Å; V134-S138 PolarHBondContact O-N 3.27Å; V134-S138 PolarHBondContact O-OG 3.41Å; V134-G139 PolarHBondContact O-N 3.24Å
135	T	91.3	Very high	95.7	Very high	30 Å²	30	61.6 Å²	61.6	18%	0.184	36%	0.361	C	S	.	.	I	π-helix	trans	-56.3	-45.7	175.4	-58	0	0	0	0	111.4	A61 M85 I131 D132 A133 L137 G139 S140	A61-T135 HydrophobicContact CB-CG2 4.42Å; M85-T135 HydrophobicContact CE-CG2 4.23Å; M85-T135 VanDerWaalsContact CG-OG1 3.25Å; M85-T135 WeakPolarHBondContact CG-OG1 3.25Å; I131-T135 WeakPolarHBondContact O-CB 3.26Å; I131-T135 PolarHBondContact O-N 3.12Å; I131-T135 PolarHBondContact O-OG1 2.76Å; D132-T135 WeakPolarHBondContact O-CB 3.29Å; D132-T135 PolarHBondContact O-N 3.21Å; A133-T135 VanDerWaalsContact C-N 3.29Å; A133-T135 PolarHBondContact O-N 2.99Å; T135-L137 VanDerWaalsContact C-N 3.3Å; T135-L137 PolarHBondContact O-N 3.42Å; T135-G139 CarbonylContact O-C 3.58Å; T135-G139 VanDerWaalsContact O-CA 3.29Å; T135-G139 WeakPolarHBondContact O-CA 3.38Å; T135-G139 PolarHBondContact O-N 3.46Å; T135-S140 PolarHBondContact O-N 2.91Å
136	G	90.9	Very high	95.7	Very high	37 Å²	37	63 Å²	63	38%	0.381	37%	0.366	S	S	.	.	I	π-helix	trans	-66.3	-29.2	178.6	0	0	0	0	0	114.2	D132 A133 V134 Y144	D132-G136 PolarHBondContact O-N 2.87Å; A133-G136 PolarHBondContact O-N 3.41Å; V134-G136 VanDerWaalsContact C-N 3.31Å; V134-G136 PolarHBondContact O-N 3.24Å; G136-Y144 WeakPolarHBondContact O-CE2 2.99Å; G136-Y144 PolarHBondContact O-OH 2.91Å; G136-Y144 VanDerWaalsContact O-OH 3.04Å
137	L	95.8	Very high	95.7	Very high	132 Å²	132	67.7 Å²	67.7	69%	0.691	39%	0.387	S	S	*	.	I	π-helix	trans	-92.5	-70.8	-178.4	-177.9	64.7	0	0	0	112.8	A133 V134 T135 G141	A133-L137 PolarHBondContact O-N 3.35Å; A133-L137 VanDerWaalsContact O-N 3.17Å; V134-L137 CarbonylContact O-C 3.49Å; V134-L137 PolarHBondContact O-N 2.99Å; V134-L137 VanDerWaalsContact O-N 3.12Å; T135-L137 VanDerWaalsContact C-N 3.3Å; T135-L137 PolarHBondContact O-N 3.42Å; L137-G141 WeakPolarHBondContact O-CA 3.32Å; L137-G141 PolarHBondContact O-N 2.91Å
138	S	93.3	Very high	95.7	Very high	25 Å²	25	63.4 Å²	63.4	18%	0.175	38%	0.377	C	S	.	.	I	π-helix	trans	-86.5	-27.5	-173.2	64.5	0	0	0	0	112.8	N87 V134 P142	N87-S138 VanDerWaalsContact CB-O 3.25Å; N87-S138 WeakPolarHBondContact CB-O 3.45Å; N87-S138 PolarHBondContact ND2-O 3.3Å; V134-S138 WeakPolarHBondContact CG1-OG 3.48Å; V134-S138 PolarHBondContact O-N 3.27Å; V134-S138 PolarHBondContact O-OG 3.41Å; S138-P142 WeakPolarHBondContact O-CD 3.12Å
139	G	92.5	Very high	95.7	Very high	22 Å²	22	66.3 Å²	66.3	23%	0.227	39%	0.393	C	S	.	.	I	π-helix	trans	-68.4	-53.1	176.5	0	0	0	0	0	113	V134 T135	V134-G139 PolarHBondContact O-N 3.24Å; T135-G139 CarbonylContact O-C 3.58Å; T135-G139 VanDerWaalsContact O-CA 3.29Å; T135-G139 WeakPolarHBondContact O-CA 3.38Å; T135-G139 PolarHBondContact O-N 3.46Å
140	S	95.3	Very high	95.7	Very high	47 Å²	47	64.7 Å²	64.7	33%	0.329	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-16.8	174.5	-60.3	0	0	0	0	113.2	T135 A143 Y144	T135-S140 PolarHBondContact O-N 2.91Å; S140-A143 WeakPolarHBondContact O-CB 3.45Å; S140-A143 PolarHBondContact O-N 3.08Å; S140-Y144 VanDerWaalsContact CB-CZ 3.41Å; S140-Y144 WeakPolarHBondContact CB-OH 3.45Å; S140-Y144 PolarHBondContact O-N 3.26Å
141	G	96.6	Very high	95.8	Very high	19 Å²	19	63.5 Å²	63.5	20%	0.196	39%	0.387	C	S	.	.	H	α-helix	trans	-47.4	-47.3	-176.6	0	0	0	0	0	115.5	L137 A143 Y144 A145	L137-G141 WeakPolarHBondContact O-CA 3.32Å; L137-G141 PolarHBondContact O-N 2.91Å; G141-A143 PolarHBondContact O-N 3.28Å; G141-Y144 WeakPolarHBondContact O-CB 3.27Å; G141-Y144 PolarHBondContact O-N 2.97Å; G141-Y144 VanDerWaalsContact O-N 3.08Å; G141-A145 PolarHBondContact O-N 3.38Å
142	P	97.9	Very high	95.9	Very high	16 Å²	16	69.6 Å²	69.6	10%	0.104	42%	0.419	C	S	.	.	H	α-helix	trans	-55.6	-37.9	175.8	-28.6	35.4	0	0	0	113.4	N87 P89 S138 A145 F146	N87-P142 HydrophobicContact CB-CG 4.14Å; P89-P142 HydrophobicContact CG-CB 4.41Å; P89-P142 HydrophobicContact CG-CG 3.85Å; S138-P142 WeakPolarHBondContact O-CD 3.12Å; P142-A145 PolarHBondContact O-N 2.97Å; P142-F146 HydrophobicContact CB-CE2 4.05Å; P142-F146 HydrophobicContact CB-CZ 4.08Å; P142-F146 WeakPolarHBondContact O-CD2 3.09Å; P142-F146 WeakPolarHBondContact O-CG 3.48Å; P142-F146 PolarHBondContact O-N 3.38Å
143	A	98.1	Very high	96.2	Very high	53 Å²	53	68.1 Å²	68.1	44%	0.438	42%	0.42	S	S	.	.	H	α-helix	trans	-66.9	-38.6	177.7	0	0	0	0	0	112	S140 G141 A145 F146 M147	S140-A143 WeakPolarHBondContact O-CB 3.45Å; S140-A143 PolarHBondContact O-N 3.08Å; G141-A143 PolarHBondContact O-N 3.28Å; A143-A145 VanDerWaalsContact C-N 3.33Å; A143-F146 PolarHBondContact O-N 2.92Å; A143-M147 WeakPolarHBondContact O-CG 3.16Å; A143-M147 PolarHBondContact O-N 3.2Å; A143-M147 VanDerWaalsContact O-N 3.11Å
144	Y	98.1	Very high	96.4	Very high	136 Å²	136	70.3 Å²	70.3	53%	0.533	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-42.1	173.9	-48.3	-31.3	0	0	0	111.1	G136 S140 G141 M147 A148	G136-Y144 WeakPolarHBondContact O-CE2 2.99Å; G136-Y144 PolarHBondContact O-OH 2.91Å; G136-Y144 VanDerWaalsContact O-OH 3.04Å; S140-Y144 VanDerWaalsContact CB-CZ 3.41Å; S140-Y144 WeakPolarHBondContact CB-OH 3.45Å; S140-Y144 PolarHBondContact O-N 3.26Å; G141-Y144 WeakPolarHBondContact O-CB 3.27Å; G141-Y144 PolarHBondContact O-N 2.97Å; G141-Y144 VanDerWaalsContact O-N 3.08Å; Y144-M147 PolarHBondContact O-N 3.22Å; Y144-A148 PolarHBondContact O-N 3.16Å
145	A	98.3	Very high	96.6	Very high	47 Å²	47	72.2 Å²	72.2	39%	0.388	45%	0.447	S	S	.	.	H	α-helix	trans	-62.5	-43.9	176.7	0	0	0	0	0	111.8	G141 P142 A143 M147 A148 L149	G141-A145 PolarHBondContact O-N 3.38Å; P142-A145 PolarHBondContact O-N 2.97Å; A143-A145 VanDerWaalsContact C-N 3.33Å; A145-M147 PolarHBondContact O-N 3.44Å; A145-A148 PolarHBondContact O-N 3.11Å; A145-L149 WeakPolarHBondContact O-CB 3.43Å; A145-L149 VanDerWaalsContact O-CG 3.27Å; A145-L149 WeakPolarHBondContact O-CG 3.3Å; A145-L149 PolarHBondContact O-N 3.39Å
146	F	98.1	Very high	96.7	Very high	127 Å²	127	74 Å²	74	56%	0.557	47%	0.471	S	S	*	.	H	α-helix	trans	-60.3	-45.2	176.8	-59.1	-32.9	0	0	0	112	P142 A143 A148 L149 D150	P142-F146 HydrophobicContact CB-CE2 4.05Å; P142-F146 HydrophobicContact CB-CZ 4.08Å; P142-F146 WeakPolarHBondContact O-CD2 3.09Å; P142-F146 WeakPolarHBondContact O-CG 3.48Å; P142-F146 PolarHBondContact O-N 3.38Å; A143-F146 PolarHBondContact O-N 2.92Å; F146-A148 VanDerWaalsContact C-N 3.33Å; F146-A148 PolarHBondContact O-N 3.04Å; F146-L149 PolarHBondContact O-N 3.04Å; F146-D150 WeakPolarHBondContact O-CB 3.46Å; F146-D150 PolarHBondContact O-N 3.17Å
147	M	98.3	Very high	96.2	Very high	129 Å²	129	81 Å²	81	64%	0.635	51%	0.506	S	S	*	.	H	α-helix	trans	-61.7	-40.1	176.3	-72.5	-59.2	-51.2	0	0	112.5	A143 Y144 A145 A151	A143-M147 WeakPolarHBondContact O-CG 3.16Å; A143-M147 PolarHBondContact O-N 3.2Å; A143-M147 VanDerWaalsContact O-N 3.11Å; Y144-M147 PolarHBondContact O-N 3.22Å; A145-M147 PolarHBondContact O-N 3.44Å; M147-A151 WeakPolarHBondContact O-CB 3.34Å; M147-A151 PolarHBondContact O-N 3.31Å; M147-A151 VanDerWaalsContact O-N 3.1Å
148	A	98.4	Very high	96.2	Very high	54 Å²	54	78.4 Å²	78.4	45%	0.446	50%	0.497	S	S	.	.	H	α-helix	trans	-66.8	-41.8	177	0	0	0	0	0	112.2	Y144 A145 F146 A151 L152	Y144-A148 PolarHBondContact O-N 3.16Å; A145-A148 PolarHBondContact O-N 3.11Å; F146-A148 VanDerWaalsContact C-N 3.33Å; F146-A148 PolarHBondContact O-N 3.04Å; A148-A151 PolarHBondContact O-N 3.41Å; A148-L152 VanDerWaalsContact O-CG 3.3Å; A148-L152 WeakPolarHBondContact O-CG 3.39Å; A148-L152 PolarHBondContact O-N 3.1Å
149	L	98.4	Very high	96.3	Very high	111 Å²	111	81.2 Å²	81.2	58%	0.581	51%	0.514	S	S	*	.	H	α-helix	trans	-64.2	-41.4	177.4	-71.6	169.4	0	0	0	112	A145 F146 L152 A153	A145-L149 WeakPolarHBondContact O-CB 3.43Å; A145-L149 VanDerWaalsContact O-CG 3.27Å; A145-L149 WeakPolarHBondContact O-CG 3.3Å; A145-L149 PolarHBondContact O-N 3.39Å; F146-L149 PolarHBondContact O-N 3.04Å; L149-L152 PolarHBondContact O-N 3.37Å; L149-A153 PolarHBondContact O-N 3.46Å
150	D	98.2	Very high	96.5	Very high	96 Å²	96	84.5 Å²	84.5	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-62.3	-47.6	176.6	-161.4	40.6	0	0	0	110.9	F146 L152 A153 D154	F146-D150 WeakPolarHBondContact O-CB 3.46Å; F146-D150 PolarHBondContact O-N 3.17Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 2.98Å; D150-A153 WeakPolarHBondContact O-CB 3.46Å; D150-A153 PolarHBondContact O-N 2.97Å; D150-A153 VanDerWaalsContact O-N 3.1Å; D150-D154 PolarHBondContact O-N 3.31Å
151	A	98.3	Very high	96.6	Very high	62 Å²	62	86.7 Å²	86.7	51%	0.512	54%	0.542	S	S	.	.	H	α-helix	trans	-63.1	-35.7	177	0	0	0	0	0	113.5	M147 A148 G155	M147-A151 WeakPolarHBondContact O-CB 3.34Å; M147-A151 PolarHBondContact O-N 3.31Å; M147-A151 VanDerWaalsContact O-N 3.1Å; A148-A151 PolarHBondContact O-N 3.41Å; A151-G155 PolarHBondContact O-N 3.43Å
152	L	98.3	Very high	96.6	Very high	129 Å²	129	90.9 Å²	90.9	68%	0.675	56%	0.564	S	S	*	*	H	α-helix	trans	-66.5	-37.4	173.8	-76.1	169.4	0	0	0	112	A148 L149 D150 G156	A148-L152 VanDerWaalsContact O-CG 3.3Å; A148-L152 WeakPolarHBondContact O-CG 3.39Å; A148-L152 PolarHBondContact O-N 3.1Å; L149-L152 PolarHBondContact O-N 3.37Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 2.98Å; L152-G156 PolarHBondContact O-N 3.36Å
153	A	98.1	Very high	96.5	Very high	60 Å²	60	95.9 Å²	95.9	50%	0.496	59%	0.594	S	S	.	*	H	α-helix	trans	-66.7	-45.8	176.3	0	0	0	0	0	111.3	L149 D150 G155 G156	L149-A153 PolarHBondContact O-N 3.46Å; D150-A153 WeakPolarHBondContact O-CB 3.46Å; D150-A153 PolarHBondContact O-N 2.97Å; D150-A153 VanDerWaalsContact O-N 3.1Å; A153-G155 VanDerWaalsContact C-N 3.31Å; A153-G155 PolarHBondContact O-N 3.1Å; A153-G156 PolarHBondContact O-N 3.02Å; A153-G156 VanDerWaalsContact O-N 3.16Å
154	D	97.3	Very high	96.4	Very high	114 Å²	114	99 Å²	99	61%	0.61	61%	0.605	S	S	*	*	H	α-helix	trans	-61.5	-37.3	176.3	-81.9	-10	0	0	0	112.6	D150 G156 V157	D150-D154 PolarHBondContact O-N 3.31Å; D154-G156 VanDerWaalsContact C-N 3.27Å; D154-G156 PolarHBondContact O-N 3.04Å; D154-V157 VanDerWaalsContact O-CG2 3.27Å; D154-V157 WeakPolarHBondContact O-CG2 3.27Å
155	G	97.1	Very high	96.3	Very high	70 Å²	70	96.2 Å²	96.2	72%	0.722	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-13.6	177.7	0	0	0	0	0	114.7	A151 A153	A151-G155 PolarHBondContact O-N 3.43Å; A153-G155 VanDerWaalsContact C-N 3.31Å; A153-G155 PolarHBondContact O-N 3.1Å
156	G	93.1	Very high	96.1	Very high	67 Å²	67	100.3 Å²	100.3	69%	0.691	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-3.1	-177.2	0	0	0	0	0	115.3	L152 A153 D154	L152-G156 PolarHBondContact O-N 3.36Å; A153-G156 PolarHBondContact O-N 3.02Å; A153-G156 VanDerWaalsContact O-N 3.16Å; D154-G156 VanDerWaalsContact C-N 3.27Å; D154-G156 PolarHBondContact O-N 3.04Å
157	V	79.9	Confident	95.9	Very high	184 Å²	184	97.8 Å²	97.8	100%	1.115	64%	0.636	S	S	*	*			trans	-110.2	0	-177.4	-68.8	0	0	0	0	113.5	D154	D154-V157 VanDerWaalsContact O-CG2 3.27Å; D154-V157 WeakPolarHBondContact O-CG2 3.27Å

Retrieved 157 of 157 residues in 529.2 ms (Link to these results)

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