A0A5K4F941_SCHMA Loading...

Leucine-rich repeat-containing protein 51

AlphaFold DB , UniProt , Accession A0A5K4F941, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 190 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	36.7	Very low	230 Å²	230	155.7 Å²	155.7	100%	1.133	82%	0.822	S	S	*	*				0	94.7	0	-74.7	-81.9	-85.9	0	0	107.2
2	T	42	Very low	36.9	Very low	124 Å²	124	156.7 Å²	156.7	76%	0.761	82%	0.818	S	S	*	*			trans	42	98	160	45.4	0	0	0	0	119.1	L4	T2-L4 PolarHBondContact O-N 3.47Å
3	E	38.5	Very low	37.5	Very low	193 Å²	193	150.1 Å²	150.1	90%	0.902	79%	0.793	S	S	*	*			trans	-25	93.5	139.5	-163.4	169.1	-152.3	0	0	112.3	A5	E3-A5 PolarHBondContact O-N 3.35Å
4	L	37.4	Very low	38	Very low	166 Å²	166	153.4 Å²	153.4	87%	0.869	80%	0.798	S	S	*	*			trans	-76.4	82.2	163	-82.6	150.5	0	0	0	106.1	T2 D6	T2-L4 PolarHBondContact O-N 3.47Å; L4-D6 VanDerWaalsContact C-N 3.29Å; L4-D6 PolarHBondContact O-N 3.05Å
5	A	37.9	Very low	38.8	Very low	80 Å²	80	145.7 Å²	145.7	66%	0.661	77%	0.771	S	S	*	*			trans	-57.9	101.6	160	0	0	0	0	0	106.4	E3 K7	E3-A5 PolarHBondContact O-N 3.35Å; A5-K7 PolarHBondContact O-N 3.35Å
6	D	35	Very low	39.8	Very low	161 Å²	161	145.3 Å²	145.3	86%	0.861	77%	0.767	S	S	*	*			trans	-53.6	107.2	170.2	-112.9	-26.5	0	0	0	106.6	L4 K8	L4-D6 VanDerWaalsContact C-N 3.29Å; L4-D6 PolarHBondContact O-N 3.05Å; D6-K8 PolarHBondContact O-N 2.92Å
7	K	31.7	Very low	41.5	Very low	195 Å²	195	141 Å²	141	85%	0.848	74%	0.741	S	S	*	*			trans	-57.1	94.5	169.8	-75.8	175.6	174.7	177.2	0	106.2	A5 S9	A5-K7 PolarHBondContact O-N 3.35Å; K7-S9 PolarHBondContact O-N 3.18Å
8	K	32.9	Very low	43.7	Very low	189 Å²	189	135.8 Å²	135.8	82%	0.822	71%	0.712	S	S	*	*			trans	-51	97.6	146	-100.5	-177.8	174	-178.6	0	104.2	D6 D10	D6-K8 PolarHBondContact O-N 2.92Å; K8-D10 PolarHBondContact O-N 3.4Å
9	S	33.1	Very low	46.2	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	69%	0.686	S	S	*	*			trans	-66.7	110.1	177.7	26.2	0	0	0	0	104.9	K7 D11	K7-S9 PolarHBondContact O-N 3.18Å; S9-D11 PolarHBondContact O-N 3.39Å
10	D	34	Very low	48.6	Very low	149 Å²	149	124 Å²	124	80%	0.797	65%	0.652	S	S	*	*			trans	-62.6	52.2	177	-61.7	-51.9	0	0	0	112.2	K8 E12	K8-D10 PolarHBondContact O-N 3.4Å; D10-E12 PolarHBondContact O-N 3.13Å
11	D	40.6	Very low	50.7	Low	119 Å²	119	118.4 Å²	118.4	64%	0.636	62%	0.623	S	S	*	*			trans	-85.6	46.6	159.1	-162.8	11.7	0	0	0	109.2	S9 S13	S9-D11 PolarHBondContact O-N 3.39Å; D11-S13 PolarHBondContact O-N 3.37Å; D11-S13 WeakPolarHBondContact OD1-CB 3.39Å; D11-S13 PolarHBondContact OD1-OG 2.63Å
12	E	39.2	Very low	53.4	Low	167 Å²	167	107.6 Å²	107.6	78%	0.78	57%	0.569	S	S	*	*			trans	-72.4	57.8	154.5	-69.8	-168.7	171.1	0	0	108	D10 F14	D10-E12 PolarHBondContact O-N 3.13Å; E12-F14 PolarHBondContact O-N 3.22Å
13	S	44.7	Very low	56	Low	71 Å²	71	101.9 Å²	101.9	50%	0.497	54%	0.535	S	S	.	.			trans	-68	59.4	169.5	46.6	0	0	0	0	110.1	D11 G15	D11-S13 PolarHBondContact O-N 3.37Å; D11-S13 WeakPolarHBondContact OD1-CB 3.39Å; D11-S13 PolarHBondContact OD1-OG 2.63Å; S13-G15 WeakPolarHBondContact O-CA 3.47Å; S13-G15 PolarHBondContact O-N 3.13Å
14	F	45.2	Very low	58.8	Low	197 Å²	197	98.7 Å²	98.7	86%	0.864	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	27	54	176	-80.1	-84.7	0	0	0	111.6	E12 I16	E12-F14 PolarHBondContact O-N 3.22Å; F14-I16 VanDerWaalsContact C-N 3.29Å; F14-I16 WeakPolarHBondContact O-CG1 3.48Å; F14-I16 PolarHBondContact O-N 2.82Å
15	G	49.4	Very low	61.6	Low	37 Å²	37	93.9 Å²	93.9	38%	0.381	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-30	92.5	-149.3	0	0	0	0	0	111.4	S13 F17	S13-G15 WeakPolarHBondContact O-CA 3.47Å; S13-G15 PolarHBondContact O-N 3.13Å; G15-F17 WeakPolarHBondContact O-CD2 3.45Å; G15-F17 WeakPolarHBondContact O-CE2 3.24Å; G15-F17 WeakPolarHBondContact O-CG 3.27Å; G15-F17 PolarHBondContact O-N 3.39Å
16	I	55.2	Low	64.4	Low	139 Å²	139	94.9 Å²	94.9	71%	0.713	49%	0.487	S	S	*	.			trans	-73.6	81.8	174.3	-59.3	-178.6	0	0	0	103.7	F14 Q18	F14-I16 VanDerWaalsContact C-N 3.29Å; F14-I16 WeakPolarHBondContact O-CG1 3.48Å; F14-I16 PolarHBondContact O-N 2.82Å; I16-Q18 PolarHBondContact O-N 3.23Å
17	F	68.2	Low	67.4	Low	73 Å²	73	87.6 Å²	87.6	32%	0.32	45%	0.448	S	S	.	.			trans	-59.8	106.8	-179.2	-70.7	-65.4	0	0	0	106.7	G15 I57 Q59	G15-F17 WeakPolarHBondContact O-CD2 3.45Å; G15-F17 WeakPolarHBondContact O-CE2 3.24Å; G15-F17 WeakPolarHBondContact O-CG 3.27Å; G15-F17 PolarHBondContact O-N 3.39Å; F17-I57 HydrophobicContact CD1-CG2 3.58Å; F17-I57 HydrophobicContact CE1-CG2 3.37Å; F17-Q59 HydrophobicContact CB-CB 4.25Å; F17-Q59 HydrophobicContact CB-CG 4.2Å; F17-Q59 HydrophobicContact CD2-CB 4.27Å; F17-Q59 HydrophobicContact CD2-CG 3.44Å; F17-Q59 VanDerWaalsContact CD2-CG 3.44Å; F17-Q59 HydrophobicContact CE2-CG 3.98Å; F17-Q59 HydrophobicContact CG-CB 4.49Å; F17-Q59 HydrophobicContact CG-CG 3.9Å
18	Q	81.6	Confident	70.5	Confident	48 Å²	48	84 Å²	84	22%	0.224	43%	0.432	C	S	.	.			trans	-59.1	137.5	-177.5	-69.4	-60.3	-38.9	0	0	109.1	I16 L20 I48 S58	I16-Q18 PolarHBondContact O-N 3.23Å; Q18-L20 PolarHBondContact O-N 3.45Å; Q18-I48 HydrophobicContact CB-CG1 3.96Å; Q18-S58 WeakPolarHBondContact O-CB 3.35Å; Q18-S58 PolarHBondContact O-OG 3.47Å
19	P	90.7	Very high	73.6	Confident	34 Å²	34	79.3 Å²	79.3	22%	0.221	42%	0.417	C	S	.	.			trans	-58.7	128.3	178.3	-23.9	33.9	0	0	0	111.3	D21 I48 T60 K62	P19-D21 PolarHBondContact O-N 2.89Å; P19-D21 VanDerWaalsContact O-N 3.13Å; P19-I48 WeakPolarHBondContact O-CD1 3.27Å; P19-T60 WeakPolarHBondContact CA-O 3.48Å; P19-T60 HydrophobicContact CB-CG2 3.79Å; P19-T60 HydrophobicContact CG-CG2 4.12Å; P19-K62 HydrophobicContact CB-CD 3.93Å; P19-K62 HydrophobicContact CB-CG 4.17Å
20	L	93.7	Very high	76.7	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	101.8	167.3	-175.6	59.1	0	0	0	108.2	Q18 Y22 P38 I48 W56 S58 T60 L61 K62 L81 L82	Q18-L20 PolarHBondContact O-N 3.45Å; L20-Y22 HydrophobicContact CD1-CE2 3.83Å; L20-Y22 HydrophobicContact CD2-CE2 3.92Å; L20-Y22 HydrophobicContact CG-CD2 4.06Å; L20-Y22 HydrophobicContact CG-CE2 3.58Å; L20-P38 HydrophobicContact CD1-CB 3.71Å; L20-P38 HydrophobicContact CD1-CG 3.73Å; L20-I48 HydrophobicContact CD1-CD1 4.19Å; L20-W56 HydrophobicContact CD1-CB 4.33Å; L20-W56 HydrophobicContact CD1-CD2 3.87Å; L20-W56 HydrophobicContact CD1-CE3 4.38Å; L20-W56 HydrophobicContact CD1-CG 3.86Å; L20-W56 HydrophobicContact CD2-CB 3.95Å; L20-W56 HydrophobicContact CD2-CG 3.89Å; L20-S58 PolarHBondContact N-OG 2.99Å; L20-T60 PolarHBondContact N-O 3.17Å; L20-L61 HydrophobicContact CB-CD1 4.2Å; L20-L61 HydrophobicContact CD2-CD1 4.07Å; L20-L61 HydrophobicContact CG-CD1 4.05Å; L20-K62 PolarHBondContact O-N 2.9Å; L20-L81 HydrophobicContact CD2-CB 4.18Å; L20-L81 HydrophobicContact CD2-CD1 4.12Å; L20-L81 HydrophobicContact CD2-CD2 4.5Å; L20-L82 HydrophobicContact CD2-CD2 3.92Å
21	D	94.3	Very high	79.7	Confident	8 Å²	8	71 Å²	71	4%	0.043	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	108	-165.6	-164.6	-16	0	0	0	112.6	P19 S23 P38 R39	P19-D21 PolarHBondContact O-N 2.89Å; P19-D21 VanDerWaalsContact O-N 3.13Å; D21-S23 WeakPolarHBondContact OD1-CB 3.18Å; D21-S23 PolarHBondContact OD1-N 3.38Å; D21-S23 PolarHBondContact OD1-OG 3.21Å; D21-P38 CarbonylContact O-C 3.44Å; D21-P38 WeakPolarHBondContact O-CA 3.49Å; D21-P38 WeakPolarHBondContact O-CB 3.31Å; D21-R39 HydrophobicContact CB-CB 4.44Å; D21-R39 PolarHBondContact O-N 3.22Å
22	Y	96.8	Very high	82.4	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.008	36%	0.355	C	S	.	.			trans	-111.5	19.2	172.8	-73.5	-87.1	0	0	0	112	L20 L25 I27 L33 C36 P38 L61 K62 N66 L81	L20-Y22 HydrophobicContact CD1-CE2 3.83Å; L20-Y22 HydrophobicContact CD2-CE2 3.92Å; L20-Y22 HydrophobicContact CG-CD2 4.06Å; L20-Y22 HydrophobicContact CG-CE2 3.58Å; Y22-L25 HydrophobicContact CD1-CD1 3.84Å; Y22-L25 HydrophobicContact CG-CD1 4.46Å; Y22-I27 HydrophobicContact CD1-CD1 4.12Å; Y22-I27 HydrophobicContact CG-CD1 4.46Å; Y22-L33 HydrophobicContact CD1-CB 4.41Å; Y22-L33 HydrophobicContact CD1-CG 3.98Å; Y22-L33 HydrophobicContact CD2-CD2 4.28Å; Y22-L33 HydrophobicContact CD2-CG 4.21Å; Y22-L33 HydrophobicContact CE1-CB 4.24Å; Y22-L33 HydrophobicContact CE1-CG 4.3Å; Y22-L33 VanDerWaalsContact CE1-O 3.22Å; Y22-L33 WeakPolarHBondContact CE1-O 3.32Å; Y22-L33 HydrophobicContact CE2-CG 4.49Å; Y22-L33 HydrophobicContact CG-CD2 4.35Å; Y22-L33 HydrophobicContact CG-CG 3.93Å; Y22-L33 VanDerWaalsContact CZ-O 3.26Å; Y22-L33 PolarHBondContact OH-O 3.39Å; Y22-C36 WeakPolarHBondContact CE1-O 3.46Å; Y22-C36 VanDerWaalsContact CE1-SG 3.52Å; Y22-C36 PolarHBondContact OH-O 3.44Å; Y22-P38 HydrophobicContact CD1-CB 4.49Å; Y22-P38 HydrophobicContact CD2-CB 4.26Å; Y22-P38 HydrophobicContact CE1-CB 4.15Å; Y22-P38 HydrophobicContact CE2-CB 3.92Å; Y22-L61 HydrophobicContact CD2-CD1 3.9Å; Y22-L61 HydrophobicContact CE2-CD1 4.36Å; Y22-K62 CarbonylContact C-O 3.45Å; Y22-K62 WeakPolarHBondContact CA-O 3.47Å; Y22-K62 WeakPolarHBondContact CB-O 3.41Å; Y22-K62 PolarHBondContact N-O 3.19Å; Y22-N66 PolarHBondContact O-ND2 3.4Å; Y22-L81 HydrophobicContact CE2-CD1 4.29Å; Y22-L81 HydrophobicContact CE2-CD2 4.48Å
23	S	96.6	Very high	85.1	Confident	5 Å²	5	60.2 Å²	60.2	4%	0.035	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	149.4	-176.4	66.7	0	0	0	0	112.7	D21 L25 R39 N64	D21-S23 WeakPolarHBondContact OD1-CB 3.18Å; D21-S23 PolarHBondContact OD1-N 3.38Å; D21-S23 PolarHBondContact OD1-OG 3.21Å; S23-L25 PolarHBondContact O-N 2.97Å; S23-R39 WeakPolarHBondContact O-CD 3.49Å; S23-R39 PolarHBondContact O-NH1 3.48Å; S23-R39 PolarHBondContact OG-NH1 3.04Å; S23-N64 CarbonylContact C-O 3.51Å; S23-N64 WeakPolarHBondContact CA-O 3.37Å; S23-N64 WeakPolarHBondContact CB-O 3.31Å; S23-N64 WeakPolarHBondContact CB-OD1 3.39Å
24	F	96.3	Very high	87.4	Confident	125 Å²	125	59.2 Å²	59.2	55%	0.548	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	29.3	176.3	-53.3	-97.1	0	0	0	115.1	N64 N65	F24-N64 PolarHBondContact N-O 2.87Å; F24-N64 VanDerWaalsContact N-O 3.15Å; F24-N65 WeakPolarHBondContact CA-O 3.32Å; F24-N65 HydrophobicContact CD1-CB 3.46Å; F24-N65 VanDerWaalsContact CD1-CB 3.46Å; F24-N65 HydrophobicContact CD2-CB 3.84Å; F24-N65 HydrophobicContact CE1-CB 3.39Å; F24-N65 HydrophobicContact CE2-CB 3.8Å; F24-N65 WeakPolarHBondContact CE2-ND2 3.43Å; F24-N65 HydrophobicContact CG-CB 3.71Å; F24-N65 HydrophobicContact CZ-CB 3.59Å; F24-N65 WeakPolarHBondContact CZ-ND2 3.35Å; F24-N65 PolarHBondContact N-O 3.21Å
25	L	96.2	Very high	89.7	Confident	65 Å²	65	56 Å²	56	34%	0.34	31%	0.305	S	S	.	.	S	Bend	trans	-99.2	8.1	178.9	-71	-176.2	0	0	0	113.1	Y22 S23 I27 R39 N66	Y22-L25 HydrophobicContact CD1-CD1 3.84Å; Y22-L25 HydrophobicContact CG-CD1 4.46Å; S23-L25 PolarHBondContact O-N 2.97Å; L25-I27 HydrophobicContact CB-CD1 3.76Å; L25-I27 HydrophobicContact CB-CG1 3.79Å; L25-I27 HydrophobicContact CD1-CD1 4.15Å; L25-I27 PolarHBondContact O-N 3.26Å; L25-R39 HydrophobicContact CD1-CG 4.21Å; L25-R39 HydrophobicContact CD2-CG 3.61Å; L25-R39 HydrophobicContact CG-CG 3.96Å; L25-N66 PolarHBondContact N-OD1 2.75Å
26	N	96.7	Very high	91.6	Very high	102 Å²	102	56.3 Å²	56.3	55%	0.545	30%	0.301	S	S	.	.			trans	58.7	30.7	-177.8	-166.3	47.8	0	0	0	112.6	N66 Q67	N26-N66 PolarHBondContact N-OD1 3.13Å; N26-Q67 PolarHBondContact OD1-NE2 3.23Å
27	I	97.9	Very high	93.2	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.041	30%	0.301	C	S	.	.			trans	-70.7	135.3	-178.4	-65.6	163.1	0	0	0	109.5	Y22 L25 N29 D32 L33 N66 Q67 I68	Y22-I27 HydrophobicContact CD1-CD1 4.12Å; Y22-I27 HydrophobicContact CG-CD1 4.46Å; L25-I27 HydrophobicContact CB-CD1 3.76Å; L25-I27 HydrophobicContact CB-CG1 3.79Å; L25-I27 HydrophobicContact CD1-CD1 4.15Å; L25-I27 PolarHBondContact O-N 3.26Å; I27-N29 VanDerWaalsContact CG2-O 3.28Å; I27-N29 WeakPolarHBondContact CG2-O 3.34Å; I27-D32 HydrophobicContact CG2-CB 4.4Å; I27-L33 HydrophobicContact CD1-CD1 3.81Å; I27-L33 HydrophobicContact CD1-CG 4.38Å; I27-L33 HydrophobicContact CG2-CD1 3.75Å; I27-N66 HydrophobicContact CB-CB 4.15Å; I27-N66 PolarHBondContact N-OD1 3.07Å; I27-N66 WeakPolarHBondContact O-CB 3.45Å; I27-Q67 CarbonylContact O-C 3.46Å; I27-Q67 WeakPolarHBondContact O-CA 3.5Å; I27-Q67 PolarHBondContact O-N 2.96Å; I27-I68 HydrophobicContact CG2-CD1 4.04Å; I27-I68 HydrophobicContact CG2-CG1 4.06Å
28	K	97.9	Very high	94.3	Very high	118 Å²	118	51.7 Å²	51.7	51%	0.513	29%	0.29	S	S	.	.			trans	-108.4	-36.4	174	-67.6	179.2	178.2	-176.7	0	112.1	Q67	K28-Q67 HydrophobicContact CG-CB 3.99Å
29	N	98.1	Very high	94.7	Very high	92 Å²	92	54.1 Å²	54.1	49%	0.492	30%	0.297	S	S	.	.			trans	-118.4	135.3	-175.4	-53.7	-71.1	0	0	0	110.3	I27 S31 D32	I27-N29 VanDerWaalsContact CG2-O 3.28Å; I27-N29 WeakPolarHBondContact CG2-O 3.34Å; N29-S31 PolarHBondContact O-N 3.15Å; N29-D32 WeakPolarHBondContact O-CB 3.31Å; N29-D32 PolarHBondContact O-N 3.37Å
30	L	98	Very high	94.1	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-62.7	-24.5	177.8	-75.6	-177.7	0	0	0	113.6	D32 L33 I63 I68 I71 L74 V77	L30-D32 PolarHBondContact O-N 3.07Å; L30-D32 VanDerWaalsContact O-N 3.17Å; L30-L33 HydrophobicContact CD2-CD1 4.15Å; L30-L33 HydrophobicContact CD2-CD2 4.22Å; L30-L33 PolarHBondContact O-N 2.92Å; L30-I63 HydrophobicContact CD2-CD1 3.97Å; L30-I63 HydrophobicContact CD2-CG2 4.47Å; L30-I68 HydrophobicContact CD2-CD1 3.72Å; L30-I68 HydrophobicContact CD2-CG2 4.44Å; L30-I68 HydrophobicContact CG-CG2 4.27Å; L30-I71 HydrophobicContact CD1-CB 4.15Å; L30-I71 HydrophobicContact CD1-CG2 4.08Å; L30-L74 HydrophobicContact CD1-CB 3.69Å; L30-L74 HydrophobicContact CD1-CD1 3.73Å; L30-L74 HydrophobicContact CD1-CG 4.3Å; L30-L74 HydrophobicContact CD2-CD1 4.06Å; L30-V77 HydrophobicContact CB-CG2 4.11Å
31	S	96.3	Very high	92.8	Very high	76 Å²	76	61.8 Å²	61.8	53%	0.531	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-62.2	-16.5	174.3	54.9	0	0	0	0	113.7	N29 L33 P34	N29-S31 PolarHBondContact O-N 3.15Å; S31-L33 VanDerWaalsContact C-N 3.34Å; S31-P34 WeakPolarHBondContact O-CD 3.49Å
32	D	96.9	Very high	91.1	Very high	61 Å²	61	66.8 Å²	66.8	33%	0.326	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-78	-22.3	178.8	-58.5	-27.9	0	0	0	111.5	I27 N29 L30 V35 C36	I27-D32 HydrophobicContact CG2-CB 4.4Å; N29-D32 WeakPolarHBondContact O-CB 3.31Å; N29-D32 PolarHBondContact O-N 3.37Å; L30-D32 PolarHBondContact O-N 3.07Å; L30-D32 VanDerWaalsContact O-N 3.17Å; D32-V35 PolarHBondContact O-N 2.89Å; D32-V35 VanDerWaalsContact O-N 3.14Å; D32-C36 PolarHBondContact O-N 3.09Å; D32-C36 PolarHBondContact O-SG 3.01Å
33	L	96.5	Very high	89.5	Confident	0 Å²	0	72 Å²	72	0%	0	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-47.9	-175.6	-84.2	64	0	0	0	113	Y22 I27 L30 S31 V35 C36 I63 V77 L81	Y22-L33 HydrophobicContact CD1-CB 4.41Å; Y22-L33 HydrophobicContact CD1-CG 3.98Å; Y22-L33 HydrophobicContact CD2-CD2 4.28Å; Y22-L33 HydrophobicContact CD2-CG 4.21Å; Y22-L33 HydrophobicContact CE1-CB 4.24Å; Y22-L33 HydrophobicContact CE1-CG 4.3Å; Y22-L33 VanDerWaalsContact CE1-O 3.22Å; Y22-L33 WeakPolarHBondContact CE1-O 3.32Å; Y22-L33 HydrophobicContact CE2-CG 4.49Å; Y22-L33 HydrophobicContact CG-CD2 4.35Å; Y22-L33 HydrophobicContact CG-CG 3.93Å; Y22-L33 VanDerWaalsContact CZ-O 3.26Å; Y22-L33 PolarHBondContact OH-O 3.39Å; I27-L33 HydrophobicContact CD1-CD1 3.81Å; I27-L33 HydrophobicContact CD1-CG 4.38Å; I27-L33 HydrophobicContact CG2-CD1 3.75Å; L30-L33 HydrophobicContact CD2-CD1 4.15Å; L30-L33 HydrophobicContact CD2-CD2 4.22Å; L30-L33 PolarHBondContact O-N 2.92Å; S31-L33 VanDerWaalsContact C-N 3.34Å; L33-V35 PolarHBondContact O-N 3.36Å; L33-C36 VanDerWaalsContact O-O 3.09Å; L33-I63 HydrophobicContact CD1-CG2 4.29Å; L33-I63 HydrophobicContact CD2-CD1 3.68Å; L33-I63 HydrophobicContact CD2-CG1 3.98Å; L33-I63 HydrophobicContact CD2-CG2 4.12Å; L33-V77 HydrophobicContact CB-CG1 3.96Å; L33-V77 HydrophobicContact CD2-CG1 4.08Å; L33-L81 HydrophobicContact CB-CD1 4.18Å; L33-L81 HydrophobicContact CD2-CD1 4.26Å
34	P	94	Very high	87.6	Confident	50 Å²	50	74.6 Å²	74.6	33%	0.325	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.8	177.2	-22.2	35.1	0	0	0	113.7	S31 V77 E80 L81	S31-P34 WeakPolarHBondContact O-CD 3.49Å; P34-V77 HydrophobicContact CG-CG1 4.21Å; P34-E80 HydrophobicContact CG-CB 4.32Å; P34-E80 VanDerWaalsContact CG-OE2 3.28Å; P34-E80 WeakPolarHBondContact CG-OE2 3.32Å; P34-L81 HydrophobicContact CB-CD2 4.45Å; P34-L81 HydrophobicContact CG-CD2 4.44Å
35	V	92	Very high	85.5	Confident	128 Å²	128	76.5 Å²	76.5	78%	0.776	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-40.2	-176.4	-176.1	0	0	0	0	111.6	D32 L33	D32-V35 PolarHBondContact O-N 2.89Å; D32-V35 VanDerWaalsContact O-N 3.14Å; L33-V35 PolarHBondContact O-N 3.36Å
36	C	89.4	Confident	83.6	Confident	45 Å²	45	76.6 Å²	76.6	30%	0.304	44%	0.439	S	S	.	.	S	Bend	trans	-86.3	154.7	-179.9	69.9	0	0	0	0	112.2	Y22 D32 L33	Y22-C36 WeakPolarHBondContact CE1-O 3.46Å; Y22-C36 VanDerWaalsContact CE1-SG 3.52Å; Y22-C36 PolarHBondContact OH-O 3.44Å; D32-C36 PolarHBondContact O-N 3.09Å; D32-C36 PolarHBondContact O-SG 3.01Å; L33-C36 VanDerWaalsContact O-O 3.09Å
37	S	88.3	Confident	82.2	Confident	101 Å²	101	77.4 Å²	77.4	71%	0.706	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-79.2	136.2	174.9	-66.4	0	0	0	0	110.2
38	P	92	Very high	81.2	Confident	14 Å²	14	78.2 Å²	78.2	9%	0.091	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-63.1	155.5	171.1	29.3	-35	0	0	0	110.1	L20 D21 Y22 I40 W56	L20-P38 HydrophobicContact CD1-CB 3.71Å; L20-P38 HydrophobicContact CD1-CG 3.73Å; D21-P38 CarbonylContact O-C 3.44Å; D21-P38 WeakPolarHBondContact O-CA 3.49Å; D21-P38 WeakPolarHBondContact O-CB 3.31Å; Y22-P38 HydrophobicContact CD1-CB 4.49Å; Y22-P38 HydrophobicContact CD2-CB 4.26Å; Y22-P38 HydrophobicContact CE1-CB 4.15Å; Y22-P38 HydrophobicContact CE2-CB 3.92Å; P38-I40 PolarHBondContact O-N 3.46Å; P38-W56 HydrophobicContact CG-CH2 3.85Å; P38-W56 HydrophobicContact CG-CZ2 3.72Å
39	R	89.8	Confident	80.7	Confident	98 Å²	98	79.6 Å²	79.6	37%	0.37	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-62.7	131.8	171.5	-71.6	178.2	62.7	-162.5	1.5	110.3	D21 S23 L25	D21-R39 HydrophobicContact CB-CB 4.44Å; D21-R39 PolarHBondContact O-N 3.22Å; S23-R39 WeakPolarHBondContact O-CD 3.49Å; S23-R39 PolarHBondContact O-NH1 3.48Å; S23-R39 PolarHBondContact OG-NH1 3.04Å; L25-R39 HydrophobicContact CD1-CG 4.21Å; L25-R39 HydrophobicContact CD2-CG 3.61Å; L25-R39 HydrophobicContact CG-CG 3.96Å
40	I	77.7	Confident	80.3	Confident	139 Å²	139	80.5 Å²	80.5	71%	0.713	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-95.5	121.9	171.4	-56.9	173.8	0	0	0	106.8	P38 P42	P38-I40 PolarHBondContact O-N 3.46Å; I40-P42 VanDerWaalsContact O-CD 3.29Å; I40-P42 WeakPolarHBondContact O-CD 3.31Å
41	I	67.3	Low	80.1	Confident	56 Å²	56	83 Å²	83	29%	0.287	47%	0.47	S	S	.	.			trans	-87.6	109.2	176.4	-58.9	173.2	0	0	0	107.6	S43 I44	I41-S43 VanDerWaalsContact C-N 3.3Å; I41-S43 WeakPolarHBondContact CG2-OG 3.42Å; I41-S43 PolarHBondContact O-N 3.16Å; I41-I44 HydrophobicContact CB-CD1 4.1Å; I41-I44 HydrophobicContact CB-CG1 4.27Å; I41-I44 HydrophobicContact CD1-CD1 4.01Å; I41-I44 HydrophobicContact CG2-CD1 3.95Å; I41-I44 HydrophobicContact CG2-CG1 3.88Å; I41-I44 PolarHBondContact O-N 2.88Å; I41-I44 VanDerWaalsContact O-N 3.15Å
42	P	58.5	Low	80	Confident	113 Å²	113	87.6 Å²	87.6	73%	0.734	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.7	-171	-21.8	33.7	0	0	0	113.9	I40 I44	I40-P42 VanDerWaalsContact O-CD 3.29Å; I40-P42 WeakPolarHBondContact O-CD 3.31Å; P42-I44 PolarHBondContact O-N 3.38Å
43	S	63.1	Low	79.9	Confident	111 Å²	111	90.5 Å²	90.5	78%	0.776	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.6	-179.8	43.8	0	0	0	0	113.2	I41	I41-S43 VanDerWaalsContact C-N 3.3Å; I41-S43 WeakPolarHBondContact CG2-OG 3.42Å; I41-S43 PolarHBondContact O-N 3.16Å
44	I	56.5	Low	79.7	Confident	61 Å²	61	92.2 Å²	92.2	31%	0.313	52%	0.52	S	S	.	.	S	Bend	trans	-101.3	97.2	170.1	-47.6	174.2	0	0	0	104.4	I41 P42 S46	I41-I44 HydrophobicContact CB-CD1 4.1Å; I41-I44 HydrophobicContact CB-CG1 4.27Å; I41-I44 HydrophobicContact CD1-CD1 4.01Å; I41-I44 HydrophobicContact CG2-CD1 3.95Å; I41-I44 HydrophobicContact CG2-CG1 3.88Å; I41-I44 PolarHBondContact O-N 2.88Å; I41-I44 VanDerWaalsContact O-N 3.15Å; P42-I44 PolarHBondContact O-N 3.38Å; I44-S46 PolarHBondContact O-N 3.36Å
45	N	52.1	Low	79.7	Confident	165 Å²	165	92.7 Å²	92.7	88%	0.882	52%	0.517	S	S	*	.			trans	-64.5	19.8	-179.6	-141	17.6	0	0	0	113.2
46	S	55.8	Low	79.8	Confident	67 Å²	67	88.9 Å²	88.9	47%	0.469	49%	0.489	S	S	.	.			trans	-111.1	103.4	-172.4	-50	0	0	0	0	108.9	I44 I48	I44-S46 PolarHBondContact O-N 3.36Å; S46-I48 PolarHBondContact O-N 3.4Å
47	V	68	Low	79.9	Confident	118 Å²	118	90.1 Å²	90.1	72%	0.715	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-63.3	125.7	169	-178.2	0	0	0	0	108.2	K49	V47-K49 PolarHBondContact O-N 3.37Å; V47-K49 VanDerWaalsContact O-N 3.16Å
48	I	77.4	Confident	80.1	Confident	26 Å²	26	85.5 Å²	85.5	13%	0.133	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-58.7	121.1	169.6	-52.7	177.6	0	0	0	107.1	Q18 P19 L20 S46 W56	Q18-I48 HydrophobicContact CB-CG1 3.96Å; P19-I48 WeakPolarHBondContact O-CD1 3.27Å; L20-I48 HydrophobicContact CD1-CD1 4.19Å; S46-I48 PolarHBondContact O-N 3.4Å; I48-W56 HydrophobicContact CB-CE3 4.14Å; I48-W56 HydrophobicContact CB-CZ3 4.2Å; I48-W56 HydrophobicContact CG2-CE3 3.77Å; I48-W56 HydrophobicContact CG2-CZ3 4.35Å; I48-W56 WeakPolarHBondContact O-CZ3 3.26Å
49	K	86.4	Confident	80.3	Confident	147 Å²	147	88.3 Å²	88.3	64%	0.639	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-81.2	154.1	-176.1	-63.6	-179.1	-177.2	175	0	110.7	V47 I57	V47-K49 PolarHBondContact O-N 3.37Å; V47-K49 VanDerWaalsContact O-N 3.16Å; K49-I57 HydrophobicContact CB-CD1 4.32Å; K49-I57 PolarHBondContact O-N 2.76Å
50	K	90.9	Very high	80.6	Confident	110 Å²	110	84.3 Å²	84.3	48%	0.478	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-105.1	150.2	165.2	-71	179.1	167.7	-165	0	110	G54 K55 W56	K50-G54 VanDerWaalsContact CD-O 3.3Å; K50-G54 WeakPolarHBondContact CD-O 3.28Å; K50-K55 CarbonylContact C-O 3.59Å; K50-K55 WeakPolarHBondContact CA-O 3.27Å; K50-W56 HydrophobicContact CD-CD2 4.47Å; K50-W56 HydrophobicContact CD-CE3 4.33Å; K50-W56 HydrophobicContact CD-CH2 4.5Å; K50-W56 HydrophobicContact CD-CZ3 4.34Å; K50-W56 VanDerWaalsContact CE-CH2 3.5Å; K50-W56 HydrophobicContact CG-CD2 4Å; K50-W56 HydrophobicContact CG-CE3 3.64Å; K50-W56 HydrophobicContact CG-CZ3 3.97Å
51	D	92.4	Very high	81.5	Confident	56 Å²	56	77.7 Å²	77.7	30%	0.299	42%	0.424	S	S	.	.			trans	-74.5	-179.9	169.9	76.5	-1.4	0	0	0	111.3	N53 G54 K55 I57	D51-N53 PolarHBondContact O-N 3.47Å; D51-N53 VanDerWaalsContact O-N 3.16Å; D51-N53 VanDerWaalsContact OD1-C 3.26Å; D51-N53 VanDerWaalsContact OD1-CA 3.29Å; D51-N53 WeakPolarHBondContact OD1-CA 3.47Å; D51-N53 WeakPolarHBondContact OD1-CB 3.25Å; D51-N53 PolarHBondContact OD1-N 2.7Å; D51-G54 PolarHBondContact O-N 3.38Å; D51-G54 PolarHBondContact OD1-N 3.05Å; D51-K55 PolarHBondContact N-O 3.42Å; D51-K55 WeakPolarHBondContact OD1-CB 2.96Å; D51-K55 PolarHBondContact OD1-N 3.24Å; D51-I57 HydrophobicContact CB-CD1 4.08Å; D51-I57 HydrophobicContact CB-CG1 4.06Å
52	I	94.2	Very high	82.9	Confident	173 Å²	173	77.6 Å²	77.6	89%	0.887	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.3	178.3	61.5	169.6	0	0	0	113.6
53	N	95.2	Very high	84.8	Confident	122 Å²	122	72.2 Å²	72.2	65%	0.652	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	5.7	177.9	-57.6	-54.2	0	0	0	112.1	D51 K55	D51-N53 PolarHBondContact O-N 3.47Å; D51-N53 VanDerWaalsContact O-N 3.16Å; D51-N53 VanDerWaalsContact OD1-C 3.26Å; D51-N53 VanDerWaalsContact OD1-CA 3.29Å; D51-N53 WeakPolarHBondContact OD1-CA 3.47Å; D51-N53 WeakPolarHBondContact OD1-CB 3.25Å; D51-N53 PolarHBondContact OD1-N 2.7Å; N53-K55 VanDerWaalsContact C-N 3.3Å; N53-K55 HydrophobicContact CB-CG 4.29Å; N53-K55 PolarHBondContact O-N 3.49Å
54	G	92.6	Very high	86.5	Confident	36 Å²	36	67.8 Å²	67.8	37%	0.371	35%	0.354	S	S	.	.	S	Bend	trans	75.7	13.2	-179.2	0	0	0	0	0	114.7	K50 D51	K50-G54 VanDerWaalsContact CD-O 3.3Å; K50-G54 WeakPolarHBondContact CD-O 3.28Å; D51-G54 PolarHBondContact O-N 3.38Å; D51-G54 PolarHBondContact OD1-N 3.05Å
55	K	94.4	Very high	88.5	Confident	60 Å²	60	67.4 Å²	67.4	26%	0.261	35%	0.353	S	S	.	.			trans	-85.7	141.7	176.7	-55.5	-55.6	-174.1	-174.6	0	110.6	K50 D51 N53 I57 E80 L81	K50-K55 CarbonylContact C-O 3.59Å; K50-K55 WeakPolarHBondContact CA-O 3.27Å; D51-K55 PolarHBondContact N-O 3.42Å; D51-K55 WeakPolarHBondContact OD1-CB 2.96Å; D51-K55 PolarHBondContact OD1-N 3.24Å; N53-K55 VanDerWaalsContact C-N 3.3Å; N53-K55 HydrophobicContact CB-CG 4.29Å; N53-K55 PolarHBondContact O-N 3.49Å; K55-I57 PolarHBondContact O-N 2.93Å; K55-E80 VanDerWaalsContact CD-O 3.31Å; K55-E80 WeakPolarHBondContact CD-O 3.25Å; K55-E80 PolarHBondContact NZ-O 3.12Å; K55-L81 CarbonylContact C-O 3.52Å
56	W	93.3	Very high	90.7	Very high	49 Å²	49	60.1 Å²	60.1	19%	0.186	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-68.4	130.9	179.3	-61.7	106.9	0	0	0	110.7	L20 P38 I48 K50 S58 L81 L82	L20-W56 HydrophobicContact CD1-CB 4.33Å; L20-W56 HydrophobicContact CD1-CD2 3.87Å; L20-W56 HydrophobicContact CD1-CE3 4.38Å; L20-W56 HydrophobicContact CD1-CG 3.86Å; L20-W56 HydrophobicContact CD2-CB 3.95Å; L20-W56 HydrophobicContact CD2-CG 3.89Å; P38-W56 HydrophobicContact CG-CH2 3.85Å; P38-W56 HydrophobicContact CG-CZ2 3.72Å; I48-W56 HydrophobicContact CB-CE3 4.14Å; I48-W56 HydrophobicContact CB-CZ3 4.2Å; I48-W56 HydrophobicContact CG2-CE3 3.77Å; I48-W56 HydrophobicContact CG2-CZ3 4.35Å; I48-W56 WeakPolarHBondContact O-CZ3 3.26Å; K50-W56 HydrophobicContact CD-CD2 4.47Å; K50-W56 HydrophobicContact CD-CE3 4.33Å; K50-W56 HydrophobicContact CD-CH2 4.5Å; K50-W56 HydrophobicContact CD-CZ3 4.34Å; K50-W56 VanDerWaalsContact CE-CH2 3.5Å; K50-W56 HydrophobicContact CG-CD2 4Å; K50-W56 HydrophobicContact CG-CE3 3.64Å; K50-W56 HydrophobicContact CG-CZ3 3.97Å; W56-S58 PolarHBondContact O-N 2.9Å; W56-L81 PolarHBondContact N-O 3.09Å; W56-L82 HydrophobicContact CB-CD2 4.04Å
57	I	92.5	Very high	92.8	Very high	71 Å²	71	60.7 Å²	60.7	36%	0.364	31%	0.309	S	S	.	.			trans	-87	87.6	175.4	-60.6	172.5	0	0	0	107.6	F17 K49 D51 K55	F17-I57 HydrophobicContact CD1-CG2 3.58Å; F17-I57 HydrophobicContact CE1-CG2 3.37Å; K49-I57 HydrophobicContact CB-CD1 4.32Å; K49-I57 PolarHBondContact O-N 2.76Å; D51-I57 HydrophobicContact CB-CD1 4.08Å; D51-I57 HydrophobicContact CB-CG1 4.06Å; K55-I57 PolarHBondContact O-N 2.93Å
58	S	92.9	Very high	94.2	Very high	4 Å²	4	55 Å²	55	3%	0.028	28%	0.275	C	S	.	.			trans	-146.8	152.2	177.4	-167.2	0	0	0	0	112.7	Q18 L20 W56 T60	Q18-S58 WeakPolarHBondContact O-CB 3.35Å; Q18-S58 PolarHBondContact O-OG 3.47Å; L20-S58 PolarHBondContact N-OG 2.99Å; W56-S58 PolarHBondContact O-N 2.9Å; S58-T60 PolarHBondContact OG-N 2.82Å; S58-T60 PolarHBondContact OG-O 2.7Å
59	Q	95.5	Very high	95.2	Very high	73 Å²	73	59.8 Å²	59.8	34%	0.341	30%	0.296	S	S	.	.	S	Bend	trans	-109.8	-4.1	169.3	-64.9	-174	-14.3	0	0	113.3	F17 N87 T89 W90	F17-Q59 HydrophobicContact CB-CB 4.25Å; F17-Q59 HydrophobicContact CB-CG 4.2Å; F17-Q59 HydrophobicContact CD2-CB 4.27Å; F17-Q59 HydrophobicContact CD2-CG 3.44Å; F17-Q59 VanDerWaalsContact CD2-CG 3.44Å; F17-Q59 HydrophobicContact CE2-CG 3.98Å; F17-Q59 HydrophobicContact CG-CB 4.49Å; F17-Q59 HydrophobicContact CG-CG 3.9Å; Q59-N87 VanDerWaalsContact CA-O 3.28Å; Q59-N87 WeakPolarHBondContact CA-O 3.46Å; Q59-N87 WeakPolarHBondContact CB-O 3.23Å; Q59-N87 WeakPolarHBondContact CG-O 3.5Å; Q59-T89 HydrophobicContact CB-CG2 4.45Å; Q59-T89 PolarHBondContact O-N 3.3Å; Q59-T89 PolarHBondContact O-OG1 2.99Å; Q59-W90 PolarHBondContact O-N 3.05Å
60	T	95.3	Very high	95.8	Very high	13 Å²	13	57.3 Å²	57.3	8%	0.08	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.2	-175.9	-57.9	0	0	0	0	109.6	P19 L20 S58 K62 W90	P19-T60 WeakPolarHBondContact CA-O 3.48Å; P19-T60 HydrophobicContact CB-CG2 3.79Å; P19-T60 HydrophobicContact CG-CG2 4.12Å; L20-T60 PolarHBondContact N-O 3.17Å; S58-T60 PolarHBondContact OG-N 2.82Å; S58-T60 PolarHBondContact OG-O 2.7Å; T60-K62 HydrophobicContact CG2-CG 4.3Å; T60-W90 CarbonylContact C-O 3.36Å; T60-W90 VanDerWaalsContact CA-O 3.26Å; T60-W90 WeakPolarHBondContact CA-O 3.44Å; T60-W90 HydrophobicContact CG2-CB 4.01Å; T60-W90 HydrophobicContact CG2-CD2 3.97Å; T60-W90 HydrophobicContact CG2-CE3 4.28Å; T60-W90 HydrophobicContact CG2-CG 3.87Å
61	L	97.1	Very high	96.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.5	175.1	179.6	56	0	0	0	109.1	L20 Y22 I63 V78 L81 L88 W90 L91 D92	L20-L61 HydrophobicContact CB-CD1 4.2Å; L20-L61 HydrophobicContact CD2-CD1 4.07Å; L20-L61 HydrophobicContact CG-CD1 4.05Å; Y22-L61 HydrophobicContact CD2-CD1 3.9Å; Y22-L61 HydrophobicContact CE2-CD1 4.36Å; L61-I63 HydrophobicContact CD1-CD1 4.43Å; L61-I63 HydrophobicContact CD1-CG1 4.05Å; L61-I63 HydrophobicContact CD2-CD1 3.78Å; L61-I63 HydrophobicContact CD2-CG1 4.26Å; L61-I63 HydrophobicContact CG-CD1 3.83Å; L61-I63 HydrophobicContact CG-CG1 3.73Å; L61-V78 HydrophobicContact CD2-CG2 3.97Å; L61-L81 HydrophobicContact CD1-CD1 4.38Å; L61-L81 HydrophobicContact CD2-CD1 4.46Å; L61-L88 HydrophobicContact CB-CD1 3.49Å; L61-L88 VanDerWaalsContact CB-CD1 3.49Å; L61-W90 PolarHBondContact N-O 3.28Å; L61-L91 HydrophobicContact CB-CD1 4.3Å; L61-L91 HydrophobicContact CD2-CD1 4.33Å; L61-L91 HydrophobicContact CG-CD1 4.32Å; L61-L91 WeakPolarHBondContact O-CA 3.44Å; L61-D92 PolarHBondContact O-N 2.82Å
62	K	97.2	Very high	96.4	Very high	55 Å²	55	51.8 Å²	51.8	24%	0.239	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.3	176.5	-63.8	-179.6	177.9	177.6	0	109.5	P19 L20 Y22 T60 D92	P19-K62 HydrophobicContact CB-CD 3.93Å; P19-K62 HydrophobicContact CB-CG 4.17Å; L20-K62 PolarHBondContact O-N 2.9Å; Y22-K62 CarbonylContact C-O 3.45Å; Y22-K62 WeakPolarHBondContact CA-O 3.47Å; Y22-K62 WeakPolarHBondContact CB-O 3.41Å; Y22-K62 PolarHBondContact N-O 3.19Å; T60-K62 HydrophobicContact CG2-CG 4.3Å; K62-D92 HydrophobicContact CB-CB 4.48Å; K62-D92 HydrophobicContact CG-CB 4.26Å
63	I	98.3	Very high	96.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.			trans	-129.5	19.9	178.4	-33.7	169	0	0	0	109.5	L30 L33 L61 N66 I68 L74 L91 D92 L93 N96	L30-I63 HydrophobicContact CD2-CD1 3.97Å; L30-I63 HydrophobicContact CD2-CG2 4.47Å; L33-I63 HydrophobicContact CD1-CG2 4.29Å; L33-I63 HydrophobicContact CD2-CD1 3.68Å; L33-I63 HydrophobicContact CD2-CG1 3.98Å; L33-I63 HydrophobicContact CD2-CG2 4.12Å; L61-I63 HydrophobicContact CD1-CD1 4.43Å; L61-I63 HydrophobicContact CD1-CG1 4.05Å; L61-I63 HydrophobicContact CD2-CD1 3.78Å; L61-I63 HydrophobicContact CD2-CG1 4.26Å; L61-I63 HydrophobicContact CG-CD1 3.83Å; L61-I63 HydrophobicContact CG-CG1 3.73Å; I63-N66 PolarHBondContact O-ND2 3.01Å; I63-I68 HydrophobicContact CB-CD1 4.37Å; I63-I68 HydrophobicContact CG2-CD1 3.28Å; I63-L74 HydrophobicContact CD1-CD1 3.83Å; I63-L91 HydrophobicContact CD1-CD1 4.16Å; I63-D92 CarbonylContact C-O 3.51Å; I63-D92 WeakPolarHBondContact CA-O 3.25Å; I63-D92 PolarHBondContact N-O 3.01Å; I63-L93 HydrophobicContact CB-CD2 4.28Å; I63-L93 HydrophobicContact CD1-CD2 3.96Å; I63-N96 PolarHBondContact O-ND2 2.9Å
64	N	98.7	Very high	96.8	Very high	18 Å²	18	40.3 Å²	40.3	10%	0.096	21%	0.212	C	C	.	.			trans	-73.1	159.4	-176.8	59.8	-60.3	0	0	0	113	S23 F24 D92 S94	S23-N64 CarbonylContact C-O 3.51Å; S23-N64 WeakPolarHBondContact CA-O 3.37Å; S23-N64 WeakPolarHBondContact CB-O 3.31Å; S23-N64 WeakPolarHBondContact CB-OD1 3.39Å; F24-N64 PolarHBondContact N-O 2.87Å; F24-N64 VanDerWaalsContact N-O 3.15Å; N64-D92 WeakPolarHBondContact CB-OD1 3.21Å; N64-D92 PolarHBondContact N-O 3.08Å; N64-S94 CarbonylContact C-O 3.48Å; N64-S94 WeakPolarHBondContact CA-O 3.39Å; N64-S94 WeakPolarHBondContact CB-O 3.26Å; N64-S94 WeakPolarHBondContact CB-OG 3.44Å
65	N	98.7	Very high	97	Very high	53 Å²	53	39.2 Å²	39.2	28%	0.283	20%	0.198	S	C	.	.	S	Bend	trans	56.9	48.4	-178.7	-62	-83.5	0	0	0	112.5	F24 S94 C95	F24-N65 WeakPolarHBondContact CA-O 3.32Å; F24-N65 HydrophobicContact CD1-CB 3.46Å; F24-N65 VanDerWaalsContact CD1-CB 3.46Å; F24-N65 HydrophobicContact CD2-CB 3.84Å; F24-N65 HydrophobicContact CE1-CB 3.39Å; F24-N65 HydrophobicContact CE2-CB 3.8Å; F24-N65 WeakPolarHBondContact CE2-ND2 3.43Å; F24-N65 HydrophobicContact CG-CB 3.71Å; F24-N65 HydrophobicContact CZ-CB 3.59Å; F24-N65 WeakPolarHBondContact CZ-ND2 3.35Å; F24-N65 PolarHBondContact N-O 3.21Å; N65-S94 PolarHBondContact N-O 3.17Å; N65-C95 WeakPolarHBondContact CA-O 3.4Å; N65-C95 HydrophobicContact CB-CB 4.45Å; N65-C95 PolarHBondContact N-O 2.98Å; N65-C95 WeakPolarHBondContact OD1-CB 3.25Å
66	N	98.7	Very high	97.2	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.064	21%	0.21	C	C	.	.	S	Bend	trans	-122.5	-161.7	172.4	-76.6	-56.7	0	0	0	108.7	Y22 L25 N26 I27 I63 I68 C95 N96	Y22-N66 PolarHBondContact O-ND2 3.4Å; L25-N66 PolarHBondContact N-OD1 2.75Å; N26-N66 PolarHBondContact N-OD1 3.13Å; I27-N66 HydrophobicContact CB-CB 4.15Å; I27-N66 PolarHBondContact N-OD1 3.07Å; I27-N66 WeakPolarHBondContact O-CB 3.45Å; I63-N66 PolarHBondContact O-ND2 3.01Å; N66-I68 HydrophobicContact CB-CD1 4.26Å; N66-I68 HydrophobicContact CB-CG1 4.22Å; N66-C95 PolarHBondContact N-O 2.6Å; N66-N96 WeakPolarHBondContact CA-OD1 3.35Å; N66-N96 WeakPolarHBondContact CB-OD1 3.18Å; N66-N96 PolarHBondContact N-OD1 3.12Å; N66-N96 PolarHBondContact O-OD1 3.16Å
67	Q	98.6	Very high	97.5	Very high	78 Å²	78	39 Å²	39	36%	0.364	20%	0.203	S	C	.	.			trans	-123	30.1	-178.7	-61.8	-179.8	12.1	0	0	111.4	N26 I27 K28 N96	N26-Q67 PolarHBondContact OD1-NE2 3.23Å; I27-Q67 CarbonylContact O-C 3.46Å; I27-Q67 WeakPolarHBondContact O-CA 3.5Å; I27-Q67 PolarHBondContact O-N 2.96Å; K28-Q67 HydrophobicContact CG-CB 3.99Å; Q67-N96 PolarHBondContact N-OD1 3.05Å
68	I	98.7	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.			trans	-74.1	132.9	-174.5	-61.7	168.1	0	0	0	109.8	I27 L30 I63 N66 D70 I71 N96 N97 I98	I27-I68 HydrophobicContact CG2-CD1 4.04Å; I27-I68 HydrophobicContact CG2-CG1 4.06Å; L30-I68 HydrophobicContact CD2-CD1 3.72Å; L30-I68 HydrophobicContact CD2-CG2 4.44Å; L30-I68 HydrophobicContact CG-CG2 4.27Å; I63-I68 HydrophobicContact CB-CD1 4.37Å; I63-I68 HydrophobicContact CG2-CD1 3.28Å; N66-I68 HydrophobicContact CB-CD1 4.26Å; N66-I68 HydrophobicContact CB-CG1 4.22Å; I68-D70 WeakPolarHBondContact CG2-O 3.33Å; I68-I71 HydrophobicContact CG2-CG2 3.8Å; I68-N96 HydrophobicContact CB-CB 4.42Å; I68-N96 WeakPolarHBondContact CB-OD1 3.2Å; I68-N96 PolarHBondContact N-OD1 3.31Å; I68-N97 CarbonylContact O-C 3.53Å; I68-N97 WeakPolarHBondContact O-CA 3.04Å; I68-N97 PolarHBondContact O-N 2.88Å; I68-I98 HydrophobicContact CG2-CG1 4.48Å; I68-I98 WeakPolarHBondContact O-CG1 3.41Å; I68-I98 PolarHBondContact O-N 3.15Å
69	E	98.7	Very high	98	Very high	125 Å²	125	42.2 Å²	42.2	58%	0.584	21%	0.211	S	C	*	.			trans	-111.1	-44.6	174.6	-70.8	178.4	-161.7	0	0	111.4	N97 P99	E69-N97 HydrophobicContact CG-CB 3.51Å; E69-P99 VanDerWaalsContact O-CD 3.25Å; E69-P99 WeakPolarHBondContact O-CD 3.43Å
70	D	98.5	Very high	98.1	Very high	96 Å²	96	43.1 Å²	43.1	51%	0.513	22%	0.215	S	C	.	.			trans	-100.6	126.5	179.4	-173.6	19	0	0	0	112	I68 S72	I68-D70 WeakPolarHBondContact CG2-O 3.33Å; D70-S72 VanDerWaalsContact CG-OG 3.27Å; D70-S72 WeakPolarHBondContact OD1-CB 3.26Å; D70-S72 PolarHBondContact OD1-N 2.85Å; D70-S72 PolarHBondContact OD1-OG 3.11Å; D70-S72 VanDerWaalsContact OD1-OG 3.05Å; D70-S72 PolarHBondContact OD2-OG 2.84Å
71	I	98.5	Very high	98.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.213	C	C	.	.			trans	-118.4	12.8	176.7	51.6	159.6	0	0	0	112.6	L30 I68 T73 L74 L93 I98 P102 F105	L30-I71 HydrophobicContact CD1-CB 4.15Å; L30-I71 HydrophobicContact CD1-CG2 4.08Å; I68-I71 HydrophobicContact CG2-CG2 3.8Å; I71-T73 PolarHBondContact O-N 3.09Å; I71-L74 VanDerWaalsContact O-CB 3.24Å; I71-L74 WeakPolarHBondContact O-CB 3.21Å; I71-L74 PolarHBondContact O-N 3.23Å; I71-L74 VanDerWaalsContact O-N 3.1Å; I71-L93 HydrophobicContact CD1-CD1 4.32Å; I71-L93 HydrophobicContact CG2-CD1 4.49Å; I71-L93 HydrophobicContact CG2-CD2 4.25Å; I71-I98 HydrophobicContact CD1-CD1 4.48Å; I71-I98 HydrophobicContact CD1-CG2 3.71Å; I71-I98 HydrophobicContact CG1-CG2 3.86Å; I71-I98 HydrophobicContact CG2-CD1 3.66Å; I71-I98 HydrophobicContact CG2-CG1 4Å; I71-P102 HydrophobicContact CD1-CG 4.47Å; I71-P102 HydrophobicContact CG1-CG 4.29Å; I71-F105 HydrophobicContact CD1-CE1 4.36Å; I71-F105 HydrophobicContact CD1-CE2 3.87Å; I71-F105 HydrophobicContact CD1-CZ 3.5Å; I71-F105 HydrophobicContact CG1-CE2 4.48Å
72	S	97.6	Very high	98.1	Very high	48 Å²	48	43 Å²	43	34%	0.336	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-37.6	-179	66.9	0	0	0	0	113.3	D70 S104	D70-S72 VanDerWaalsContact CG-OG 3.27Å; D70-S72 WeakPolarHBondContact OD1-CB 3.26Å; D70-S72 PolarHBondContact OD1-N 2.85Å; D70-S72 PolarHBondContact OD1-OG 3.11Å; D70-S72 VanDerWaalsContact OD1-OG 3.05Å; D70-S72 PolarHBondContact OD2-OG 2.84Å; S72-S104 PolarHBondContact O-OG 2.68Å
73	T	97.7	Very high	98.1	Very high	54 Å²	54	41.6 Å²	41.6	33%	0.331	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	0.9	-178.6	58.4	0	0	0	0	114	I71 P75 I76 V77	I71-T73 PolarHBondContact O-N 3.09Å; T73-P75 VanDerWaalsContact C-CD 3.49Å; T73-P75 VanDerWaalsContact C-N 3.35Å; T73-I76 WeakPolarHBondContact O-CB 3.1Å; T73-I76 PolarHBondContact O-N 3.16Å; T73-V77 PolarHBondContact O-N 3.37Å; T73-V77 VanDerWaalsContact O-N 3.09Å
74	L	98.6	Very high	98.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-53.3	-42.6	-174.8	-172.5	67.6	0	0	0	113.8	L30 I63 I71 I76 V77 V78 L91 L93 F105 L108	L30-L74 HydrophobicContact CD1-CB 3.69Å; L30-L74 HydrophobicContact CD1-CD1 3.73Å; L30-L74 HydrophobicContact CD1-CG 4.3Å; L30-L74 HydrophobicContact CD2-CD1 4.06Å; I63-L74 HydrophobicContact CD1-CD1 3.83Å; I71-L74 VanDerWaalsContact O-CB 3.24Å; I71-L74 WeakPolarHBondContact O-CB 3.21Å; I71-L74 PolarHBondContact O-N 3.23Å; I71-L74 VanDerWaalsContact O-N 3.1Å; L74-I76 VanDerWaalsContact C-N 3.29Å; L74-I76 PolarHBondContact O-N 2.82Å; L74-V77 PolarHBondContact O-N 3.28Å; L74-V78 HydrophobicContact CD1-CG2 4.23Å; L74-V78 HydrophobicContact CG-CG2 4.15Å; L74-V78 WeakPolarHBondContact O-CB 3.36Å; L74-V78 WeakPolarHBondContact O-CG2 3.07Å; L74-V78 PolarHBondContact O-N 2.84Å; L74-L91 HydrophobicContact CD2-CD1 4.17Å; L74-L91 HydrophobicContact CD2-CD2 3.44Å; L74-L91 VanDerWaalsContact CD2-CD2 3.44Å; L74-L91 HydrophobicContact CD2-CG 4.43Å; L74-L93 HydrophobicContact CD2-CD1 4.36Å; L74-F105 HydrophobicContact CB-CE2 4.19Å; L74-F105 HydrophobicContact CD2-CE2 3.75Å; L74-F105 HydrophobicContact CD2-CZ 3.68Å; L74-L108 HydrophobicContact CD2-CD1 4.17Å
75	P	98.4	Very high	98	Very high	13 Å²	13	45.6 Å²	45.6	8%	0.084	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-35	176.8	-23.9	35.3	0	0	0	114.2	T73 Y79 T85 S104 L108	T73-P75 VanDerWaalsContact C-CD 3.49Å; T73-P75 VanDerWaalsContact C-N 3.35Å; P75-Y79 PolarHBondContact O-N 3.1Å; P75-T85 HydrophobicContact CB-CG2 4.48Å; P75-T85 WeakPolarHBondContact O-CG2 3.37Å; P75-S104 VanDerWaalsContact CG-O 3.26Å; P75-S104 WeakPolarHBondContact CG-O 3.34Å; P75-L108 HydrophobicContact CB-CD2 4.23Å; P75-L108 HydrophobicContact CG-CD1 4.41Å; P75-L108 HydrophobicContact CG-CD2 4.42Å; P75-L108 HydrophobicContact CG-CG 4.22Å
76	I	98.4	Very high	97.9	Very high	101 Å²	101	44.8 Å²	44.8	52%	0.518	24%	0.236	S	C	.	.	H	α-helix	trans	-66.8	-49.1	177	-60.4	169.6	0	0	0	109	T73 L74 V78 Y79 E80	T73-I76 WeakPolarHBondContact O-CB 3.1Å; T73-I76 PolarHBondContact O-N 3.16Å; L74-I76 VanDerWaalsContact C-N 3.29Å; L74-I76 PolarHBondContact O-N 2.82Å; I76-V78 VanDerWaalsContact C-N 3.31Å; I76-V78 PolarHBondContact O-N 3.22Å; I76-Y79 WeakPolarHBondContact O-CB 3.34Å; I76-Y79 PolarHBondContact O-N 3Å; I76-Y79 VanDerWaalsContact O-N 3.12Å; I76-E80 WeakPolarHBondContact O-CG 3.42Å; I76-E80 PolarHBondContact O-N 2.95Å
77	V	98.4	Very high	97.8	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.03	25%	0.25	C	C	.	.	H	α-helix	trans	-62	-39.4	178.5	172.4	0	0	0	0	111.5	L30 L33 P34 T73 L74 E80 L81	L30-V77 HydrophobicContact CB-CG2 4.11Å; L33-V77 HydrophobicContact CB-CG1 3.96Å; L33-V77 HydrophobicContact CD2-CG1 4.08Å; P34-V77 HydrophobicContact CG-CG1 4.21Å; T73-V77 PolarHBondContact O-N 3.37Å; T73-V77 VanDerWaalsContact O-N 3.09Å; L74-V77 PolarHBondContact O-N 3.28Å; V77-E80 PolarHBondContact O-N 2.85Å; V77-L81 HydrophobicContact CG1-CD1 3.78Å; V77-L81 HydrophobicContact CG1-CG 4.27Å; V77-L81 WeakPolarHBondContact O-CB 3.46Å; V77-L81 VanDerWaalsContact O-CG 3.25Å; V77-L81 WeakPolarHBondContact O-CG 3.34Å; V77-L81 PolarHBondContact O-N 3.04Å
78	V	98.5	Very high	97.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-43.6	174.6	170.9	0	0	0	0	111	L61 L74 I76 L81 L82 T85 L88 L108	L61-V78 HydrophobicContact CD2-CG2 3.97Å; L74-V78 HydrophobicContact CD1-CG2 4.23Å; L74-V78 HydrophobicContact CG-CG2 4.15Å; L74-V78 WeakPolarHBondContact O-CB 3.36Å; L74-V78 WeakPolarHBondContact O-CG2 3.07Å; L74-V78 PolarHBondContact O-N 2.84Å; I76-V78 VanDerWaalsContact C-N 3.31Å; I76-V78 PolarHBondContact O-N 3.22Å; V78-L81 PolarHBondContact O-N 3.34Å; V78-L82 HydrophobicContact CG1-CD1 3.95Å; V78-L82 HydrophobicContact CG1-CG 4.38Å; V78-L82 VanDerWaalsContact O-CB 3.32Å; V78-L82 WeakPolarHBondContact O-CB 3.4Å; V78-L82 PolarHBondContact O-N 2.95Å; V78-T85 HydrophobicContact CG1-CG2 4.26Å; V78-L88 HydrophobicContact CG1-CB 3.96Å; V78-L88 HydrophobicContact CG1-CD2 4.09Å; V78-L88 HydrophobicContact CG2-CD2 3.7Å; V78-L108 HydrophobicContact CB-CD2 4.3Å; V78-L108 HydrophobicContact CG1-CD2 4.2Å; V78-L108 HydrophobicContact CG2-CD2 4.33Å
79	Y	98.1	Very high	97.8	Very high	142 Å²	142	44.7 Å²	44.7	56%	0.557	24%	0.239	S	C	*	.	H	α-helix	trans	-63	-41.9	174.8	178.5	-94.3	0	0	0	112	P75 I76 L81 G83	P75-Y79 PolarHBondContact O-N 3.1Å; I76-Y79 WeakPolarHBondContact O-CB 3.34Å; I76-Y79 PolarHBondContact O-N 3Å; I76-Y79 VanDerWaalsContact O-N 3.12Å; Y79-L81 VanDerWaalsContact C-N 3.35Å; Y79-L81 PolarHBondContact O-N 2.97Å; Y79-G83 VanDerWaalsContact CD2-O 3.29Å; Y79-G83 WeakPolarHBondContact CD2-O 3.39Å; Y79-G83 WeakPolarHBondContact CE2-O 3.47Å; Y79-G83 WeakPolarHBondContact O-CA 3.29Å; Y79-G83 PolarHBondContact O-N 3.11Å
80	E	97.8	Very high	97.8	Very high	92 Å²	92	42.6 Å²	42.6	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-40.4	177.6	-74.1	-179.1	-165	0	0	112.5	P34 K55 I76 V77	P34-E80 HydrophobicContact CG-CB 4.32Å; P34-E80 VanDerWaalsContact CG-OE2 3.28Å; P34-E80 WeakPolarHBondContact CG-OE2 3.32Å; K55-E80 VanDerWaalsContact CD-O 3.31Å; K55-E80 WeakPolarHBondContact CD-O 3.25Å; K55-E80 PolarHBondContact NZ-O 3.12Å; I76-E80 WeakPolarHBondContact O-CG 3.42Å; I76-E80 PolarHBondContact O-N 2.95Å; V77-E80 PolarHBondContact O-N 2.85Å
81	L	96.6	Very high	97.8	Very high	5 Å²	5	38 Å²	38	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-77	-44.5	-180	-68.7	173	0	0	0	112.8	L20 Y22 L33 P34 K55 W56 L61 V77 V78 Y79	L20-L81 HydrophobicContact CD2-CB 4.18Å; L20-L81 HydrophobicContact CD2-CD1 4.12Å; L20-L81 HydrophobicContact CD2-CD2 4.5Å; Y22-L81 HydrophobicContact CE2-CD1 4.29Å; Y22-L81 HydrophobicContact CE2-CD2 4.48Å; L33-L81 HydrophobicContact CB-CD1 4.18Å; L33-L81 HydrophobicContact CD2-CD1 4.26Å; P34-L81 HydrophobicContact CB-CD2 4.45Å; P34-L81 HydrophobicContact CG-CD2 4.44Å; K55-L81 CarbonylContact C-O 3.52Å; W56-L81 PolarHBondContact N-O 3.09Å; L61-L81 HydrophobicContact CD1-CD1 4.38Å; L61-L81 HydrophobicContact CD2-CD1 4.46Å; V77-L81 HydrophobicContact CG1-CD1 3.78Å; V77-L81 HydrophobicContact CG1-CG 4.27Å; V77-L81 WeakPolarHBondContact O-CB 3.46Å; V77-L81 VanDerWaalsContact O-CG 3.25Å; V77-L81 WeakPolarHBondContact O-CG 3.34Å; V77-L81 PolarHBondContact O-N 3.04Å; V78-L81 PolarHBondContact O-N 3.34Å; Y79-L81 VanDerWaalsContact C-N 3.35Å; Y79-L81 PolarHBondContact O-N 2.97Å
82	L	96.4	Very high	97.8	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-110.8	-4.7	-166.5	-51	-173.4	0	0	0	114.2	L20 W56 V78 D84 N87 L88	L20-L82 HydrophobicContact CD2-CD2 3.92Å; W56-L82 HydrophobicContact CB-CD2 4.04Å; V78-L82 HydrophobicContact CG1-CD1 3.95Å; V78-L82 HydrophobicContact CG1-CG 4.38Å; V78-L82 VanDerWaalsContact O-CB 3.32Å; V78-L82 WeakPolarHBondContact O-CB 3.4Å; V78-L82 PolarHBondContact O-N 2.95Å; L82-D84 PolarHBondContact O-N 3.25Å; L82-N87 HydrophobicContact CB-CB 4.24Å; L82-N87 HydrophobicContact CD1-CB 4.29Å; L82-N87 PolarHBondContact O-ND2 2.88Å; L82-L88 HydrophobicContact CD1-CB 3.98Å; L82-L88 HydrophobicContact CD1-CD1 4.18Å
83	G	97	Very high	97.9	Very high	26 Å²	26	36.4 Å²	36.4	27%	0.268	19%	0.189	S	C	.	.	S	Bend	trans	75.6	-23.6	-178.9	0	0	0	0	0	115.3	Y79	Y79-G83 VanDerWaalsContact CD2-O 3.29Å; Y79-G83 WeakPolarHBondContact CD2-O 3.39Å; Y79-G83 WeakPolarHBondContact CE2-O 3.47Å; Y79-G83 WeakPolarHBondContact O-CA 3.29Å; Y79-G83 PolarHBondContact O-N 3.11Å
84	D	96.9	Very high	97.9	Very high	73 Å²	73	34 Å²	34	39%	0.39	17%	0.174	S	C	.	.			trans	-150.4	135.9	176.7	-172.6	-12.8	0	0	0	109.7	L82 S86 N87	L82-D84 PolarHBondContact O-N 3.25Å; D84-S86 PolarHBondContact O-N 3.18Å; D84-S86 WeakPolarHBondContact OD1-CB 3.47Å; D84-S86 PolarHBondContact OD1-N 3.15Å; D84-S86 PolarHBondContact OD1-OG 3.35Å; D84-S86 PolarHBondContact OD2-OG 3.16Å; D84-N87 WeakPolarHBondContact O-CB 3.38Å; D84-N87 PolarHBondContact O-N 3.38Å
85	T	98.2	Very high	97.9	Very high	29 Å²	29	36.4 Å²	36.4	18%	0.178	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-68	-19.2	175.2	60.7	0	0	0	0	113	P75 V78 N87 L88 S107 L108	P75-T85 HydrophobicContact CB-CG2 4.48Å; P75-T85 WeakPolarHBondContact O-CG2 3.37Å; V78-T85 HydrophobicContact CG1-CG2 4.26Å; T85-N87 PolarHBondContact O-N 3.35Å; T85-L88 PolarHBondContact O-N 3.26Å; T85-S107 PolarHBondContact OG1-O 3.18Å; T85-L108 HydrophobicContact CG2-CD2 4.06Å
86	S	96.6	Very high	98	Very high	37 Å²	37	36 Å²	36	26%	0.259	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-67.6	-22.4	175.9	79.2	0	0	0	0	113.1	D84 L88 H110	D84-S86 PolarHBondContact O-N 3.18Å; D84-S86 WeakPolarHBondContact OD1-CB 3.47Å; D84-S86 PolarHBondContact OD1-N 3.15Å; D84-S86 PolarHBondContact OD1-OG 3.35Å; D84-S86 PolarHBondContact OD2-OG 3.16Å; S86-L88 VanDerWaalsContact C-N 3.31Å; S86-L88 PolarHBondContact O-N 3.15Å; S86-H110 VanDerWaalsContact O-CB 3.27Å; S86-H110 WeakPolarHBondContact O-CB 3.46Å
87	N	96.5	Very high	98	Very high	65 Å²	65	34 Å²	34	35%	0.348	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-68.1	-30.9	178.5	-72	-27.3	0	0	0	112.1	Q59 L82 D84 T85 T89	Q59-N87 VanDerWaalsContact CA-O 3.28Å; Q59-N87 WeakPolarHBondContact CA-O 3.46Å; Q59-N87 WeakPolarHBondContact CB-O 3.23Å; Q59-N87 WeakPolarHBondContact CG-O 3.5Å; L82-N87 HydrophobicContact CB-CB 4.24Å; L82-N87 HydrophobicContact CD1-CB 4.29Å; L82-N87 PolarHBondContact O-ND2 2.88Å; D84-N87 WeakPolarHBondContact O-CB 3.38Å; D84-N87 PolarHBondContact O-N 3.38Å; T85-N87 PolarHBondContact O-N 3.35Å; N87-T89 PolarHBondContact O-N 3.18Å
88	L	98.1	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.			trans	-79.4	118.2	-176.3	-171.4	67.9	0	0	0	111.8	L61 V78 L82 T85 S86 W90 L91 H110 L111	L61-L88 HydrophobicContact CB-CD1 3.49Å; L61-L88 VanDerWaalsContact CB-CD1 3.49Å; V78-L88 HydrophobicContact CG1-CB 3.96Å; V78-L88 HydrophobicContact CG1-CD2 4.09Å; V78-L88 HydrophobicContact CG2-CD2 3.7Å; L82-L88 HydrophobicContact CD1-CB 3.98Å; L82-L88 HydrophobicContact CD1-CD1 4.18Å; T85-L88 PolarHBondContact O-N 3.26Å; S86-L88 VanDerWaalsContact C-N 3.31Å; S86-L88 PolarHBondContact O-N 3.15Å; L88-W90 WeakPolarHBondContact CD1-O 3.4Å; L88-L91 HydrophobicContact CD2-CB 4.28Å; L88-L91 HydrophobicContact CD2-CD1 4.43Å; L88-H110 CarbonylContact O-C 3.36Å; L88-L111 HydrophobicContact CD2-CD2 3.94Å; L88-L111 HydrophobicContact CG-CD2 3.77Å; L88-L111 PolarHBondContact O-N 3.27Å
89	T	98.3	Very high	98	Very high	22 Å²	22	37 Å²	37	14%	0.135	20%	0.197	C	C	.	.			trans	-118.5	-22.8	178.1	72.9	0	0	0	0	113.7	Q59 N87 K112 I113	Q59-T89 HydrophobicContact CB-CG2 4.45Å; Q59-T89 PolarHBondContact O-N 3.3Å; Q59-T89 PolarHBondContact O-OG1 2.99Å; N87-T89 PolarHBondContact O-N 3.18Å; T89-K112 PolarHBondContact O-N 3.03Å; T89-I113 PolarHBondContact O-N 3.25Å; T89-I113 VanDerWaalsContact O-N 3.11Å
90	W	98.3	Very high	98	Very high	81 Å²	81	32.6 Å²	32.6	31%	0.307	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.3	175.1	-177.2	-8.7	0	0	0	110.2	Q59 T60 L61 L88 I113 Y115	Q59-W90 PolarHBondContact O-N 3.05Å; T60-W90 CarbonylContact C-O 3.36Å; T60-W90 VanDerWaalsContact CA-O 3.26Å; T60-W90 WeakPolarHBondContact CA-O 3.44Å; T60-W90 HydrophobicContact CG2-CB 4.01Å; T60-W90 HydrophobicContact CG2-CD2 3.97Å; T60-W90 HydrophobicContact CG2-CE3 4.28Å; T60-W90 HydrophobicContact CG2-CG 3.87Å; L61-W90 PolarHBondContact N-O 3.28Å; L88-W90 WeakPolarHBondContact CD1-O 3.4Å; W90-I113 WeakPolarHBondContact CA-O 3.14Å; W90-I113 HydrophobicContact CB-CB 4.17Å; W90-I113 HydrophobicContact CD2-CB 4.4Å; W90-I113 HydrophobicContact CD2-CD1 4.1Å; W90-I113 HydrophobicContact CD2-CG2 4.25Å; W90-I113 HydrophobicContact CE3-CD1 4.11Å; W90-I113 HydrophobicContact CG-CB 3.89Å; W90-I113 HydrophobicContact CG-CD1 4.34Å; W90-I113 HydrophobicContact CG-CG2 4.02Å; W90-Y115 AromaticContact CE2-CE2 3.9Å; W90-Y115 HydrophobicContact CZ2-CD2 4.44Å; W90-Y115 AromaticContact CZ2-CE2 3.57Å; W90-Y115 HydrophobicContact CZ2-CE2 3.57Å; W90-Y115 AromaticContact CZ2-CZ 3.91Å; W90-Y115 AromaticContact NE1-CD2 3.8Å; W90-Y115 AromaticContact NE1-CE2 3.67Å
91	L	98.7	Very high	98	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.9	174.9	174.3	64	0	0	0	110.9	L61 I63 L74 L88 L93 F105 L111 I113 I114 Y115	L61-L91 HydrophobicContact CB-CD1 4.3Å; L61-L91 HydrophobicContact CD2-CD1 4.33Å; L61-L91 HydrophobicContact CG-CD1 4.32Å; L61-L91 WeakPolarHBondContact O-CA 3.44Å; I63-L91 HydrophobicContact CD1-CD1 4.16Å; L74-L91 HydrophobicContact CD2-CD1 4.17Å; L74-L91 HydrophobicContact CD2-CD2 3.44Å; L74-L91 VanDerWaalsContact CD2-CD2 3.44Å; L74-L91 HydrophobicContact CD2-CG 4.43Å; L88-L91 HydrophobicContact CD2-CB 4.28Å; L88-L91 HydrophobicContact CD2-CD1 4.43Å; L91-L93 HydrophobicContact CD1-CD2 4.23Å; L91-L93 HydrophobicContact CD1-CG 4.02Å; L91-L93 HydrophobicContact CD2-CD1 3.75Å; L91-L93 HydrophobicContact CD2-CG 4.12Å; L91-L93 HydrophobicContact CG-CD1 4.08Å; L91-L93 HydrophobicContact CG-CG 3.89Å; L91-F105 HydrophobicContact CD2-CE1 4.48Å; L91-F105 HydrophobicContact CD2-CZ 4.4Å; L91-L111 HydrophobicContact CB-CD1 4.49Å; L91-L111 HydrophobicContact CB-CD2 3.7Å; L91-L111 HydrophobicContact CD2-CD1 4.14Å; L91-I113 PolarHBondContact N-O 2.89Å; L91-I114 WeakPolarHBondContact O-CA 3.43Å; L91-Y115 PolarHBondContact O-N 3Å
92	D	98.8	Very high	98.1	Very high	15 Å²	15	29 Å²	29	8%	0.08	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	108.9	173.3	-167.4	-10.1	0	0	0	110.5	L61 K62 I63 N64 S94 Y115	L61-D92 PolarHBondContact O-N 2.82Å; K62-D92 HydrophobicContact CB-CB 4.48Å; K62-D92 HydrophobicContact CG-CB 4.26Å; I63-D92 CarbonylContact C-O 3.51Å; I63-D92 WeakPolarHBondContact CA-O 3.25Å; I63-D92 PolarHBondContact N-O 3.01Å; N64-D92 WeakPolarHBondContact CB-OD1 3.21Å; N64-D92 PolarHBondContact N-O 3.08Å; D92-S94 VanDerWaalsContact OD1-CB 3.28Å; D92-S94 WeakPolarHBondContact OD1-CB 3.3Å; D92-S94 PolarHBondContact OD1-N 3.21Å; D92-S94 PolarHBondContact OD1-OG 3.09Å; D92-Y115 HydrophobicContact CB-CD2 4.42Å; D92-Y115 WeakPolarHBondContact OD1-CB 3.18Å
93	L	98.9	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.197	C	C	.	.			trans	-112.2	11.4	177	-69.1	169.5	0	0	0	111.4	I63 I71 L74 L91 N96 I98 F105 Y115 M116 N119	I63-L93 HydrophobicContact CB-CD2 4.28Å; I63-L93 HydrophobicContact CD1-CD2 3.96Å; I71-L93 HydrophobicContact CD1-CD1 4.32Å; I71-L93 HydrophobicContact CG2-CD1 4.49Å; I71-L93 HydrophobicContact CG2-CD2 4.25Å; L74-L93 HydrophobicContact CD2-CD1 4.36Å; L91-L93 HydrophobicContact CD1-CD2 4.23Å; L91-L93 HydrophobicContact CD1-CG 4.02Å; L91-L93 HydrophobicContact CD2-CD1 3.75Å; L91-L93 HydrophobicContact CD2-CG 4.12Å; L91-L93 HydrophobicContact CG-CD1 4.08Å; L91-L93 HydrophobicContact CG-CG 3.89Å; L93-N96 PolarHBondContact O-ND2 3.45Å; L93-I98 HydrophobicContact CB-CD1 3.88Å; L93-I98 HydrophobicContact CD1-CD1 4.18Å; L93-I98 HydrophobicContact CD2-CD1 4.17Å; L93-I98 HydrophobicContact CG-CD1 4.31Å; L93-F105 HydrophobicContact CD1-CZ 4.2Å; L93-Y115 CarbonylContact C-O 3.56Å; L93-Y115 WeakPolarHBondContact CA-O 3.49Å; L93-Y115 PolarHBondContact N-O 3.21Å; L93-M116 HydrophobicContact CB-CG 4.07Å; L93-M116 HydrophobicContact CD1-CG 4.18Å; L93-M116 HydrophobicContact CD1-SD 4.33Å; L93-N119 PolarHBondContact O-ND2 3.29Å
94	S	98.9	Very high	98	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.028	20%	0.196	C	C	.	.			trans	-60.7	153.9	-174.9	57.4	0	0	0	0	113	N64 N65 D92 N96 Y115 H117	N64-S94 CarbonylContact C-O 3.48Å; N64-S94 WeakPolarHBondContact CA-O 3.39Å; N64-S94 WeakPolarHBondContact CB-O 3.26Å; N64-S94 WeakPolarHBondContact CB-OG 3.44Å; N65-S94 PolarHBondContact N-O 3.17Å; D92-S94 VanDerWaalsContact OD1-CB 3.28Å; D92-S94 WeakPolarHBondContact OD1-CB 3.3Å; D92-S94 PolarHBondContact OD1-N 3.21Å; D92-S94 PolarHBondContact OD1-OG 3.09Å; S94-N96 PolarHBondContact O-ND2 3.31Å; S94-Y115 PolarHBondContact N-O 2.96Å; S94-H117 CarbonylContact C-O 3.22Å; S94-H117 WeakPolarHBondContact CA-O 3.19Å; S94-H117 WeakPolarHBondContact CB-CE1 3.34Å; S94-H117 VanDerWaalsContact CB-NE2 3.3Å; S94-H117 WeakPolarHBondContact CB-NE2 3.29Å; S94-H117 WeakPolarHBondContact CB-O 3.18Å
95	C	98.9	Very high	98	Very high	50 Å²	50	30.6 Å²	30.6	34%	0.338	18%	0.178	S	C	.	.	S	Bend	trans	55	56.4	178.4	-56.7	0	0	0	0	113	N65 N66 H117 G118	N65-C95 WeakPolarHBondContact CA-O 3.4Å; N65-C95 HydrophobicContact CB-CB 4.45Å; N65-C95 PolarHBondContact N-O 2.98Å; N65-C95 WeakPolarHBondContact OD1-CB 3.25Å; N66-C95 PolarHBondContact N-O 2.6Å; C95-H117 PolarHBondContact N-O 3.13Å; C95-G118 VanDerWaalsContact CA-O 3.29Å; C95-G118 WeakPolarHBondContact CA-O 3.28Å; C95-G118 PolarHBondContact N-O 3.41Å
96	N	98.9	Very high	97.9	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.027	18%	0.183	C	C	.	.	S	Bend	trans	-128.3	-163.8	171.2	-84.5	-75.9	0	0	0	108.4	I63 N66 Q67 I68 L93 S94 I98 G118 N119	I63-N96 PolarHBondContact O-ND2 2.9Å; N66-N96 WeakPolarHBondContact CA-OD1 3.35Å; N66-N96 WeakPolarHBondContact CB-OD1 3.18Å; N66-N96 PolarHBondContact N-OD1 3.12Å; N66-N96 PolarHBondContact O-OD1 3.16Å; Q67-N96 PolarHBondContact N-OD1 3.05Å; I68-N96 HydrophobicContact CB-CB 4.42Å; I68-N96 WeakPolarHBondContact CB-OD1 3.2Å; I68-N96 PolarHBondContact N-OD1 3.31Å; L93-N96 PolarHBondContact O-ND2 3.45Å; S94-N96 PolarHBondContact O-ND2 3.31Å; N96-I98 HydrophobicContact CB-CD1 4.05Å; N96-I98 HydrophobicContact CB-CG1 4.05Å; N96-G118 PolarHBondContact N-O 3.18Å; N96-G118 VanDerWaalsContact O-O 3.12Å; N96-N119 WeakPolarHBondContact CA-OD1 3.14Å; N96-N119 WeakPolarHBondContact CB-OD1 3.49Å; N96-N119 PolarHBondContact N-OD1 2.94Å; N96-N119 PolarHBondContact O-OD1 2.96Å
97	N	98.8	Very high	98	Very high	59 Å²	59	32.2 Å²	32.2	32%	0.316	19%	0.19	S	C	.	.			trans	-113.7	23.6	-180	-67.7	-43.7	0	0	0	112.9	I68 E69 P99 N119 K120	I68-N97 CarbonylContact O-C 3.53Å; I68-N97 WeakPolarHBondContact O-CA 3.04Å; I68-N97 PolarHBondContact O-N 2.88Å; E69-N97 HydrophobicContact CG-CB 3.51Å; N97-P99 VanDerWaalsContact O-CD 3.23Å; N97-P99 WeakPolarHBondContact O-CD 3.35Å; N97-N119 PolarHBondContact N-OD1 2.9Å; N97-K120 WeakPolarHBondContact O-CG 3.4Å
98	I	98.9	Very high	98	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	17%	0.173	C	C	.	.			trans	-70.2	117.1	-168.4	-58.5	162.7	0	0	0	111	I68 I71 L93 N96 S100 N119 K120 I121	I68-I98 HydrophobicContact CG2-CG1 4.48Å; I68-I98 WeakPolarHBondContact O-CG1 3.41Å; I68-I98 PolarHBondContact O-N 3.15Å; I71-I98 HydrophobicContact CD1-CD1 4.48Å; I71-I98 HydrophobicContact CD1-CG2 3.71Å; I71-I98 HydrophobicContact CG1-CG2 3.86Å; I71-I98 HydrophobicContact CG2-CD1 3.66Å; I71-I98 HydrophobicContact CG2-CG1 4Å; L93-I98 HydrophobicContact CB-CD1 3.88Å; L93-I98 HydrophobicContact CD1-CD1 4.18Å; L93-I98 HydrophobicContact CD2-CD1 4.17Å; L93-I98 HydrophobicContact CG-CD1 4.31Å; N96-I98 HydrophobicContact CB-CD1 4.05Å; N96-I98 HydrophobicContact CB-CG1 4.05Å; I98-S100 WeakPolarHBondContact CG2-O 3.18Å; I98-N119 HydrophobicContact CB-CB 4.27Å; I98-N119 WeakPolarHBondContact CB-OD1 3.49Å; I98-N119 WeakPolarHBondContact CG1-OD1 3.11Å; I98-N119 PolarHBondContact N-OD1 2.78Å; I98-K120 CarbonylContact O-C 3.56Å; I98-K120 WeakPolarHBondContact O-CA 3.01Å; I98-K120 PolarHBondContact O-N 3.31Å; I98-I121 HydrophobicContact CG2-CD1 4.19Å; I98-I121 WeakPolarHBondContact O-CD1 3.12Å; I98-I121 PolarHBondContact O-N 2.77Å
99	P	98.5	Very high	98	Very high	66 Å²	66	35.1 Å²	35.1	43%	0.429	20%	0.2	S	C	.	.			trans	-93.7	-21	179.5	35.5	-31.3	0	0	0	113.4	E69 N97 K120	E69-P99 VanDerWaalsContact O-CD 3.25Å; E69-P99 WeakPolarHBondContact O-CD 3.43Å; N97-P99 VanDerWaalsContact O-CD 3.23Å; N97-P99 WeakPolarHBondContact O-CD 3.35Å; P99-K120 HydrophobicContact CB-CB 4.08Å
100	S	98.3	Very high	98	Very high	50 Å²	50	38.4 Å²	38.4	35%	0.35	21%	0.213	S	C	.	.			trans	-142.3	142	-168.5	179.9	0	0	0	0	111.5	I98 E126 K129	I98-S100 WeakPolarHBondContact CG2-O 3.18Å; S100-E126 VanDerWaalsContact CA-OE2 3.24Å; S100-E126 WeakPolarHBondContact CA-OE2 3.42Å; S100-E126 PolarHBondContact OG-OE2 2.87Å; S100-E126 VanDerWaalsContact OG-OE2 3.08Å; S100-K129 PolarHBondContact OG-NZ 3.19Å
101	I	98.4	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.			trans	-95.9	132.7	172.3	-61.2	165.5	0	0	0	107	F105 M116 I121 E126 K129 L130	I101-F105 HydrophobicContact CG2-CD1 3.93Å; I101-F105 HydrophobicContact CG2-CE1 4.26Å; I101-F105 HydrophobicContact CG2-CG 4.25Å; I101-M116 HydrophobicContact CD1-CE 3.54Å; I101-M116 HydrophobicContact CD1-SD 4.25Å; I101-M116 HydrophobicContact CG1-CE 4.17Å; I101-M116 HydrophobicContact CG1-SD 4.23Å; I101-I121 HydrophobicContact CD1-CD1 4.35Å; I101-I121 HydrophobicContact CG1-CD1 3.95Å; I101-E126 HydrophobicContact CD1-CB 4.25Å; I101-E126 WeakPolarHBondContact CD1-O 3.38Å; I101-E126 HydrophobicContact CG1-CB 4.49Å; I101-E126 PolarHBondContact N-OE2 3.27Å; I101-K129 HydrophobicContact CB-CD 4.37Å; I101-K129 HydrophobicContact CG2-CB 4.18Å; I101-K129 WeakPolarHBondContact O-CD 3.42Å; I101-K129 WeakPolarHBondContact O-CE 3.44Å; I101-K129 PolarHBondContact O-NZ 2.92Å; I101-L130 HydrophobicContact CD1-CD1 4Å; I101-L130 HydrophobicContact CD1-CD2 4.12Å; I101-L130 HydrophobicContact CD1-CG 3.91Å; I101-L130 HydrophobicContact CG2-CD2 3.9Å; I101-L130 HydrophobicContact CG2-CG 4.45Å
102	P	97.3	Very high	98	Very high	21 Å²	21	39.7 Å²	39.7	14%	0.136	22%	0.221	C	C	.	.			trans	-87.8	152.8	-179.8	35.1	-35.9	0	0	0	111.2	I71 S104 F105	I71-P102 HydrophobicContact CD1-CG 4.47Å; I71-P102 HydrophobicContact CG1-CG 4.29Å; P102-S104 WeakPolarHBondContact CB-OG 3.36Å; P102-S104 WeakPolarHBondContact CG-OG 3.49Å; P102-S104 PolarHBondContact O-N 3.36Å; P102-F105 HydrophobicContact CG-CD2 3.49Å; P102-F105 VanDerWaalsContact CG-CD2 3.49Å; P102-F105 HydrophobicContact CG-CE2 3.61Å; P102-F105 HydrophobicContact CG-CG 4.44Å; P102-F105 PolarHBondContact O-N 2.75Å
103	N	96.2	Very high	98.1	Very high	100 Å²	100	40.1 Å²	40.1	54%	0.535	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-65.2	-19.5	173.7	-72.5	-35.3	0	0	0	112.8	F105 S106 Q132	N103-F105 PolarHBondContact O-N 2.98Å; N103-F105 VanDerWaalsContact O-N 3.12Å; N103-S106 WeakPolarHBondContact O-CB 3.24Å; N103-S106 PolarHBondContact O-N 3.33Å; N103-S106 VanDerWaalsContact O-N 3.13Å; N103-S106 PolarHBondContact O-OG 2.81Å; N103-Q132 PolarHBondContact OD1-NE2 3.02Å
104	S	96	Very high	98	Very high	38 Å²	38	40.1 Å²	40.1	27%	0.266	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-62.5	-15.6	176.7	61.9	0	0	0	0	113.1	S72 P75 P102 S106 S107	S72-S104 PolarHBondContact O-OG 2.68Å; P75-S104 VanDerWaalsContact CG-O 3.26Å; P75-S104 WeakPolarHBondContact CG-O 3.34Å; P102-S104 WeakPolarHBondContact CB-OG 3.36Å; P102-S104 WeakPolarHBondContact CG-OG 3.49Å; P102-S104 PolarHBondContact O-N 3.36Å; S104-S106 PolarHBondContact O-N 3.23Å; S104-S106 VanDerWaalsContact O-N 3.1Å; S104-S107 WeakPolarHBondContact O-CB 3.45Å; S104-S107 PolarHBondContact O-N 3.5Å; S104-S107 PolarHBondContact O-OG 2.85Å
105	F	96.7	Very high	98	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59.1	-21.4	172	-86.9	-145.6	0	0	0	112.9	I71 L74 L91 L93 I101 P102 N103 S107 L108 L130 L133	I71-F105 HydrophobicContact CD1-CE1 4.36Å; I71-F105 HydrophobicContact CD1-CE2 3.87Å; I71-F105 HydrophobicContact CD1-CZ 3.5Å; I71-F105 HydrophobicContact CG1-CE2 4.48Å; L74-F105 HydrophobicContact CB-CE2 4.19Å; L74-F105 HydrophobicContact CD2-CE2 3.75Å; L74-F105 HydrophobicContact CD2-CZ 3.68Å; L91-F105 HydrophobicContact CD2-CE1 4.48Å; L91-F105 HydrophobicContact CD2-CZ 4.4Å; L93-F105 HydrophobicContact CD1-CZ 4.2Å; I101-F105 HydrophobicContact CG2-CD1 3.93Å; I101-F105 HydrophobicContact CG2-CE1 4.26Å; I101-F105 HydrophobicContact CG2-CG 4.25Å; P102-F105 HydrophobicContact CG-CD2 3.49Å; P102-F105 VanDerWaalsContact CG-CD2 3.49Å; P102-F105 HydrophobicContact CG-CE2 3.61Å; P102-F105 HydrophobicContact CG-CG 4.44Å; P102-F105 PolarHBondContact O-N 2.75Å; N103-F105 PolarHBondContact O-N 2.98Å; N103-F105 VanDerWaalsContact O-N 3.12Å; F105-S107 PolarHBondContact O-N 3.05Å; F105-L108 HydrophobicContact CD2-CD1 4.19Å; F105-L108 HydrophobicContact CE2-CD1 4.41Å; F105-L108 HydrophobicContact CG-CD1 4.36Å; F105-L108 WeakPolarHBondContact O-CB 3.41Å; F105-L108 PolarHBondContact O-N 2.92Å; F105-L130 HydrophobicContact CD1-CD2 4.03Å; F105-L133 HydrophobicContact CD1-CD1 4.5Å; F105-L133 WeakPolarHBondContact O-CD2 3.39Å
106	S	96.1	Very high	98	Very high	41 Å²	41	39.4 Å²	39.4	29%	0.287	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-54.5	-21.5	170.5	55.7	0	0	0	0	114.7	N103 S104 K109	N103-S106 WeakPolarHBondContact O-CB 3.24Å; N103-S106 PolarHBondContact O-N 3.33Å; N103-S106 VanDerWaalsContact O-N 3.13Å; N103-S106 PolarHBondContact O-OG 2.81Å; S104-S106 PolarHBondContact O-N 3.23Å; S104-S106 VanDerWaalsContact O-N 3.1Å; S106-K109 WeakPolarHBondContact O-CE 3.07Å; S106-K109 WeakPolarHBondContact O-CG 3.4Å
107	S	97.7	Very high	98	Very high	58 Å²	58	40.7 Å²	40.7	41%	0.406	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-77.6	-17.2	174.1	-60	0	0	0	0	113.8	T85 S104 F105 K109	T85-S107 PolarHBondContact OG1-O 3.18Å; S104-S107 WeakPolarHBondContact O-CB 3.45Å; S104-S107 PolarHBondContact O-N 3.5Å; S104-S107 PolarHBondContact O-OG 2.85Å; F105-S107 PolarHBondContact O-N 3.05Å; S107-K109 VanDerWaalsContact C-N 3.29Å; S107-K109 PolarHBondContact O-N 2.75Å
108	L	98.2	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.			trans	-93.4	47.8	-177.7	-56.7	176.3	0	0	0	111.4	L74 P75 V78 T85 F105 H110 L111 L133	L74-L108 HydrophobicContact CD2-CD1 4.17Å; P75-L108 HydrophobicContact CB-CD2 4.23Å; P75-L108 HydrophobicContact CG-CD1 4.41Å; P75-L108 HydrophobicContact CG-CD2 4.42Å; P75-L108 HydrophobicContact CG-CG 4.22Å; V78-L108 HydrophobicContact CB-CD2 4.3Å; V78-L108 HydrophobicContact CG1-CD2 4.2Å; V78-L108 HydrophobicContact CG2-CD2 4.33Å; T85-L108 HydrophobicContact CG2-CD2 4.06Å; F105-L108 HydrophobicContact CD2-CD1 4.19Å; F105-L108 HydrophobicContact CE2-CD1 4.41Å; F105-L108 HydrophobicContact CG-CD1 4.36Å; F105-L108 WeakPolarHBondContact O-CB 3.41Å; F105-L108 PolarHBondContact O-N 2.92Å; L108-H110 PolarHBondContact O-N 3.08Å; L108-L111 HydrophobicContact CB-CD1 3.51Å; L108-L111 HydrophobicContact CB-CG 3.91Å; L108-L111 HydrophobicContact CD1-CD1 3.69Å; L108-L111 HydrophobicContact CG-CD1 4.21Å; L108-L111 WeakPolarHBondContact O-CB 3.42Å; L108-L111 PolarHBondContact O-N 2.68Å; L108-L133 HydrophobicContact CB-CD2 4.33Å; L108-L133 WeakPolarHBondContact O-CD2 3.27Å
109	K	97.7	Very high	98.1	Very high	126 Å²	126	39.4 Å²	39.4	55%	0.548	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20	-165.7	-62.8	179.8	-178.5	172.7	0	115.3	S106 S107 K135	S106-K109 WeakPolarHBondContact O-CE 3.07Å; S106-K109 WeakPolarHBondContact O-CG 3.4Å; S107-K109 VanDerWaalsContact C-N 3.29Å; S107-K109 PolarHBondContact O-N 2.75Å; K109-K135 WeakPolarHBondContact O-CG 3.23Å
110	H	98.5	Very high	98.1	Very high	92 Å²	92	41.6 Å²	41.6	43%	0.426	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-1.4	-178.7	-74.8	-105.9	0	0	0	113.8	S86 L88 L108 K112	S86-H110 VanDerWaalsContact O-CB 3.27Å; S86-H110 WeakPolarHBondContact O-CB 3.46Å; L88-H110 CarbonylContact O-C 3.36Å; L108-H110 PolarHBondContact O-N 3.08Å; H110-K112 PolarHBondContact O-N 3Å
111	L	98.6	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.			trans	-59.6	122.5	173.5	-80.8	177.4	0	0	0	111.3	L88 L91 L108 I114 K135 L136	L88-L111 HydrophobicContact CD2-CD2 3.94Å; L88-L111 HydrophobicContact CG-CD2 3.77Å; L88-L111 PolarHBondContact O-N 3.27Å; L91-L111 HydrophobicContact CB-CD1 4.49Å; L91-L111 HydrophobicContact CB-CD2 3.7Å; L91-L111 HydrophobicContact CD2-CD1 4.14Å; L108-L111 HydrophobicContact CB-CD1 3.51Å; L108-L111 HydrophobicContact CB-CG 3.91Å; L108-L111 HydrophobicContact CD1-CD1 3.69Å; L108-L111 HydrophobicContact CG-CD1 4.21Å; L108-L111 WeakPolarHBondContact O-CB 3.42Å; L108-L111 PolarHBondContact O-N 2.68Å; L111-I114 HydrophobicContact CB-CD1 4.44Å; L111-I114 HydrophobicContact CB-CG1 4.48Å; L111-I114 HydrophobicContact CD1-CD1 3.89Å; L111-I114 HydrophobicContact CD1-CG1 4.15Å; L111-K135 CarbonylContact O-C 3.48Å; L111-L136 WeakPolarHBondContact O-CA 2.85Å; L111-L136 PolarHBondContact O-N 2.9Å
112	K	98.7	Very high	98.1	Very high	107 Å²	107	41.2 Å²	41.2	47%	0.465	22%	0.221	S	C	.	.			trans	-106.9	-35.3	176.7	-64.3	174.6	-173.9	172.8	0	111.9	T89 H110 K135 T137 K138	T89-K112 PolarHBondContact O-N 3.03Å; H110-K112 PolarHBondContact O-N 3Å; K112-K135 WeakPolarHBondContact CA-O 3.35Å; K112-K135 HydrophobicContact CG-CB 4.2Å; K112-T137 PolarHBondContact O-N 3.49Å; K112-T137 PolarHBondContact O-OG1 2.71Å; K112-K138 PolarHBondContact O-N 3.27Å
113	I	98.9	Very high	98.1	Very high	25 Å²	25	43.2 Å²	43.2	13%	0.128	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.3	-174.6	-51.9	-179.5	0	0	0	108.5	T89 W90 L91 Y115 K138	T89-I113 PolarHBondContact O-N 3.25Å; T89-I113 VanDerWaalsContact O-N 3.11Å; W90-I113 WeakPolarHBondContact CA-O 3.14Å; W90-I113 HydrophobicContact CB-CB 4.17Å; W90-I113 HydrophobicContact CD2-CB 4.4Å; W90-I113 HydrophobicContact CD2-CD1 4.1Å; W90-I113 HydrophobicContact CD2-CG2 4.25Å; W90-I113 HydrophobicContact CE3-CD1 4.11Å; W90-I113 HydrophobicContact CG-CB 3.89Å; W90-I113 HydrophobicContact CG-CD1 4.34Å; W90-I113 HydrophobicContact CG-CG2 4.02Å; L91-I113 PolarHBondContact N-O 2.89Å; I113-Y115 HydrophobicContact CG2-CD1 3.91Å; I113-Y115 HydrophobicContact CG2-CE1 3.42Å; I113-Y115 VanDerWaalsContact CG2-CE1 3.42Å; I113-K138 WeakPolarHBondContact CA-O 3.43Å; I113-K138 HydrophobicContact CB-CB 4.31Å; I113-K138 HydrophobicContact CD1-CD 3.99Å; I113-K138 HydrophobicContact CG1-CB 4.04Å; I113-K138 HydrophobicContact CG1-CD 4Å; I113-K138 HydrophobicContact CG1-CG 4.17Å; I113-K138 HydrophobicContact CG2-CB 4.05Å
114	I	98.9	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.4	172.8	-64.2	176.9	0	0	0	108.8	L91 L111 M116 L130 L133 L136 K138 L139 T140	L91-I114 WeakPolarHBondContact O-CA 3.43Å; L111-I114 HydrophobicContact CB-CD1 4.44Å; L111-I114 HydrophobicContact CB-CG1 4.48Å; L111-I114 HydrophobicContact CD1-CD1 3.89Å; L111-I114 HydrophobicContact CD1-CG1 4.15Å; I114-M116 HydrophobicContact CG2-CE 4.05Å; I114-M116 HydrophobicContact CG2-CG 3.6Å; I114-M116 HydrophobicContact CG2-SD 3.84Å; I114-L130 HydrophobicContact CD1-CD2 4.2Å; I114-L133 HydrophobicContact CD1-CD1 3.38Å; I114-L136 HydrophobicContact CB-CD1 4.09Å; I114-L136 HydrophobicContact CD1-CD1 3.78Å; I114-L136 HydrophobicContact CD1-CD2 4.42Å; I114-L136 HydrophobicContact CG1-CD1 3.75Å; I114-K138 PolarHBondContact N-O 3.33Å; I114-L139 HydrophobicContact CB-CD1 4.15Å; I114-L139 HydrophobicContact CG2-CD1 4.15Å; I114-L139 VanDerWaalsContact O-CA 3.32Å; I114-L139 WeakPolarHBondContact O-CA 3.37Å; I114-T140 PolarHBondContact O-N 3.05Å; I114-T140 VanDerWaalsContact O-N 3.12Å
115	Y	98.9	Very high	98.2	Very high	38 Å²	38	42.8 Å²	42.8	15%	0.149	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.6	168.6	-63	-14.5	0	0	0	109.9	W90 L91 D92 L93 S94 I113 T140 F168	W90-Y115 AromaticContact CE2-CE2 3.9Å; W90-Y115 HydrophobicContact CZ2-CD2 4.44Å; W90-Y115 AromaticContact CZ2-CE2 3.57Å; W90-Y115 HydrophobicContact CZ2-CE2 3.57Å; W90-Y115 AromaticContact CZ2-CZ 3.91Å; W90-Y115 AromaticContact NE1-CD2 3.8Å; W90-Y115 AromaticContact NE1-CE2 3.67Å; L91-Y115 PolarHBondContact O-N 3Å; D92-Y115 HydrophobicContact CB-CD2 4.42Å; D92-Y115 WeakPolarHBondContact OD1-CB 3.18Å; L93-Y115 CarbonylContact C-O 3.56Å; L93-Y115 WeakPolarHBondContact CA-O 3.49Å; L93-Y115 PolarHBondContact N-O 3.21Å; S94-Y115 PolarHBondContact N-O 2.96Å; I113-Y115 HydrophobicContact CG2-CD1 3.91Å; I113-Y115 HydrophobicContact CG2-CE1 3.42Å; I113-Y115 VanDerWaalsContact CG2-CE1 3.42Å; Y115-T140 VanDerWaalsContact CA-OG1 3.26Å; Y115-T140 WeakPolarHBondContact CA-OG1 3.43Å; Y115-T140 HydrophobicContact CD1-CG2 3.62Å; Y115-T140 HydrophobicContact CE1-CG2 4Å; Y115-T140 HydrophobicContact CG-CG2 4.33Å; Y115-F168 HydrophobicContact CD1-CE1 4.38Å; Y115-F168 AromaticContact CE1-CE1 3.8Å; Y115-F168 HydrophobicContact CE1-CE1 3.8Å; Y115-F168 HydrophobicContact CE2-CE1 4.03Å; Y115-F168 HydrophobicContact CE2-CZ 4.45Å; Y115-F168 AromaticContact CZ-CE1 3.62Å
116	M	98.8	Very high	98.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.229	C	C	.	.			trans	-131.9	19.4	177.1	-74	-176	-41.3	0	0	112.1	L93 I101 I114 N119 L130 L139 T140 L141 N144	L93-M116 HydrophobicContact CB-CG 4.07Å; L93-M116 HydrophobicContact CD1-CG 4.18Å; L93-M116 HydrophobicContact CD1-SD 4.33Å; I101-M116 HydrophobicContact CD1-CE 3.54Å; I101-M116 HydrophobicContact CD1-SD 4.25Å; I101-M116 HydrophobicContact CG1-CE 4.17Å; I101-M116 HydrophobicContact CG1-SD 4.23Å; I114-M116 HydrophobicContact CG2-CE 4.05Å; I114-M116 HydrophobicContact CG2-CG 3.6Å; I114-M116 HydrophobicContact CG2-SD 3.84Å; M116-N119 PolarHBondContact O-ND2 3.43Å; M116-L130 HydrophobicContact CE-CD1 3.99Å; M116-L139 HydrophobicContact CE-CD1 4.01Å; M116-T140 CarbonylContact C-O 3.42Å; M116-T140 WeakPolarHBondContact CA-O 3.43Å; M116-T140 PolarHBondContact N-O 2.86Å; M116-T140 PolarHBondContact N-OG1 2.99Å; M116-T140 VanDerWaalsContact N-OG1 3.16Å; M116-L141 HydrophobicContact CB-CD2 4.38Å; M116-L141 HydrophobicContact CE-CD2 3.82Å; M116-N144 PolarHBondContact O-ND2 2.8Å
117	H	98.9	Very high	98.4	Very high	32 Å²	32	42.2 Å²	42.2	15%	0.148	22%	0.216	C	C	.	.			trans	-64.2	153.6	176	58.8	-88.4	0	0	0	111.5	S94 C95 N119 T140 H142 F168	S94-H117 CarbonylContact C-O 3.22Å; S94-H117 WeakPolarHBondContact CA-O 3.19Å; S94-H117 WeakPolarHBondContact CB-CE1 3.34Å; S94-H117 VanDerWaalsContact CB-NE2 3.3Å; S94-H117 WeakPolarHBondContact CB-NE2 3.29Å; S94-H117 WeakPolarHBondContact CB-O 3.18Å; C95-H117 PolarHBondContact N-O 3.13Å; H117-N119 PolarHBondContact O-ND2 2.87Å; H117-T140 PolarHBondContact N-O 3.1Å; H117-T140 PolarHBondContact N-OG1 3.27Å; H117-T140 PolarHBondContact ND1-OG1 3.12Å; H117-H142 CarbonylContact C-O 3.6Å; H117-H142 WeakPolarHBondContact CA-O 3.45Å; H117-H142 WeakPolarHBondContact CB-CE1 3.26Å; H117-H142 WeakPolarHBondContact CB-NE2 3.42Å; H117-H142 WeakPolarHBondContact CB-O 3.44Å; H117-H142 AromaticContact CD2-NE2 3.62Å; H117-H142 AromaticContact CG-CE1 3.49Å; H117-H142 VanDerWaalsContact CG-CE1 3.49Å; H117-H142 AromaticContact CG-NE2 3.48Å; H117-H142 AromaticContact ND1-CE1 3.85Å; H117-F168 AromaticContact CE1-CZ 3.97Å
118	G	98.9	Very high	98.3	Very high	27 Å²	27	41 Å²	41	28%	0.278	21%	0.205	S	C	.	.	S	Bend	trans	63.9	41.1	-178.8	0	0	0	0	0	114	C95 N96 H142	C95-G118 VanDerWaalsContact CA-O 3.29Å; C95-G118 WeakPolarHBondContact CA-O 3.28Å; C95-G118 PolarHBondContact N-O 3.41Å; N96-G118 PolarHBondContact N-O 3.18Å; N96-G118 VanDerWaalsContact O-O 3.12Å; G118-H142 PolarHBondContact N-O 2.89Å
119	N	98.9	Very high	98.3	Very high	5 Å²	5	43 Å²	43	3%	0.027	21%	0.213	C	C	.	.	S	Bend	trans	-117.3	-157.6	174.1	-84.4	-74.6	0	0	0	110.2	L93 N96 N97 I98 M116 H117 N144	L93-N119 PolarHBondContact O-ND2 3.29Å; N96-N119 WeakPolarHBondContact CA-OD1 3.14Å; N96-N119 WeakPolarHBondContact CB-OD1 3.49Å; N96-N119 PolarHBondContact N-OD1 2.94Å; N96-N119 PolarHBondContact O-OD1 2.96Å; N97-N119 PolarHBondContact N-OD1 2.9Å; I98-N119 HydrophobicContact CB-CB 4.27Å; I98-N119 WeakPolarHBondContact CB-OD1 3.49Å; I98-N119 WeakPolarHBondContact CG1-OD1 3.11Å; I98-N119 PolarHBondContact N-OD1 2.78Å; M116-N119 PolarHBondContact O-ND2 3.43Å; H117-N119 PolarHBondContact O-ND2 2.87Å; N119-N144 WeakPolarHBondContact CA-OD1 2.8Å; N119-N144 WeakPolarHBondContact CB-OD1 3.22Å; N119-N144 PolarHBondContact N-OD1 3.15Å; N119-N144 PolarHBondContact O-OD1 3.28Å
120	K	98.9	Very high	98.3	Very high	113 Å²	113	37 Å²	37	49%	0.491	19%	0.187	S	C	.	.			trans	-115.9	19.8	-179	-54	-61.9	-179	-172.8	0	113.1	N97 I98 P99 A122 N144	N97-K120 WeakPolarHBondContact O-CG 3.4Å; I98-K120 CarbonylContact O-C 3.56Å; I98-K120 WeakPolarHBondContact O-CA 3.01Å; I98-K120 PolarHBondContact O-N 3.31Å; P99-K120 HydrophobicContact CB-CB 4.08Å; K120-A122 PolarHBondContact O-N 3.37Å; K120-A122 VanDerWaalsContact O-N 3.09Å; K120-N144 PolarHBondContact N-OD1 3.38Å
121	I	98.9	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.			trans	-64.2	110.7	179.8	-56.3	-58.5	0	0	0	110.2	I98 I101 E126 L141 N144 P145 I146	I98-I121 HydrophobicContact CG2-CD1 4.19Å; I98-I121 WeakPolarHBondContact O-CD1 3.12Å; I98-I121 PolarHBondContact O-N 2.77Å; I101-I121 HydrophobicContact CD1-CD1 4.35Å; I101-I121 HydrophobicContact CG1-CD1 3.95Å; I121-E126 HydrophobicContact CG2-CB 3.81Å; I121-E126 HydrophobicContact CG2-CG 4.4Å; I121-L141 HydrophobicContact CB-CD2 4.46Å; I121-L141 HydrophobicContact CG1-CD2 4.41Å; I121-L141 HydrophobicContact CG2-CD2 4.31Å; I121-N144 HydrophobicContact CB-CB 4.12Å; I121-N144 WeakPolarHBondContact CB-OD1 3.16Å; I121-N144 WeakPolarHBondContact CG1-OD1 3.05Å; I121-N144 PolarHBondContact N-OD1 2.55Å; I121-N144 WeakPolarHBondContact O-CB 3.37Å; I121-P145 WeakPolarHBondContact O-CD 3.32Å; I121-I146 HydrophobicContact CG2-CG2 4.29Å; I121-I146 VanDerWaalsContact O-CB 3.29Å; I121-I146 WeakPolarHBondContact O-CB 3.14Å; I121-I146 WeakPolarHBondContact O-CG2 3.46Å; I121-I146 PolarHBondContact O-N 2.87Å
122	A	98.4	Very high	98	Very high	41 Å²	41	40.7 Å²	40.7	34%	0.339	20%	0.2	S	C	.	.			trans	-101.4	-23	-169.7	0	0	0	0	0	115.1	K120 P145	K120-A122 PolarHBondContact O-N 3.37Å; K120-A122 VanDerWaalsContact O-N 3.09Å; A122-P145 HydrophobicContact CB-CB 4.08Å; A122-P145 HydrophobicContact CB-CG 4.38Å
123	T	97.6	Very high	98	Very high	63 Å²	63	36 Å²	36	39%	0.387	18%	0.18	S	C	.	.			trans	-135.3	154.3	-167.3	76.9	0	0	0	0	113.3	Q125 E126 I146	T123-Q125 PolarHBondContact O-N 3.07Å; T123-Q125 PolarHBondContact OG1-N 2.92Å; T123-E126 WeakPolarHBondContact O-CB 3.34Å; T123-E126 PolarHBondContact O-N 3.26Å; T123-E126 VanDerWaalsContact O-N 3.16Å; T123-I146 VanDerWaalsContact C-CD1 3.46Å; T123-I146 WeakPolarHBondContact O-CD1 3.36Å
124	F	97.8	Very high	97.9	Very high	27 Å²	27	38.4 Å²	38.4	12%	0.118	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-20.6	171.9	-64.8	-61.1	0	0	0	113.5	E126 V127 I128 I146 E149 Y152 T155 V156 I159	F124-E126 PolarHBondContact O-N 3.46Å; F124-V127 PolarHBondContact O-N 3.21Å; F124-I128 WeakPolarHBondContact O-CG1 3.06Å; F124-I128 PolarHBondContact O-N 2.77Å; F124-I146 HydrophobicContact CD1-CD1 3.74Å; F124-I146 HydrophobicContact CD1-CG1 4.24Å; F124-I146 HydrophobicContact CE1-CD1 4.08Å; F124-I146 HydrophobicContact CE1-CG1 4.19Å; F124-I146 HydrophobicContact CG-CD1 4.35Å; F124-E149 HydrophobicContact CE2-CB 3.63Å; F124-E149 HydrophobicContact CE2-CG 4.15Å; F124-E149 HydrophobicContact CZ-CB 3.59Å; F124-E149 HydrophobicContact CZ-CG 4.39Å; F124-Y152 HydrophobicContact CE1-CD2 4.35Å; F124-T155 HydrophobicContact CD1-CG2 3.56Å; F124-T155 HydrophobicContact CD2-CG2 3.85Å; F124-T155 HydrophobicContact CE1-CG2 3.49Å; F124-T155 VanDerWaalsContact CE1-CG2 3.49Å; F124-T155 HydrophobicContact CE2-CG2 3.76Å; F124-T155 HydrophobicContact CG-CG2 3.76Å; F124-T155 HydrophobicContact CZ-CG2 3.59Å; F124-V156 HydrophobicContact CD1-CG2 4.43Å; F124-V156 HydrophobicContact CE1-CG2 4.12Å; F124-I159 HydrophobicContact CB-CD1 3.92Å; F124-I159 HydrophobicContact CD1-CD1 3.96Å; F124-I159 HydrophobicContact CG-CD1 4.26Å
125	Q	96.7	Very high	97.9	Very high	103 Å²	103	44.1 Å²	44.1	48%	0.481	22%	0.223	S	C	.	.	H	α-helix	trans	-62.2	-34.9	175.7	-65.1	-61.2	-22.6	0	0	111.8	T123	T123-Q125 PolarHBondContact O-N 3.07Å; T123-Q125 PolarHBondContact OG1-N 2.92Å
126	E	97.7	Very high	97.9	Very high	28 Å²	28	42.6 Å²	42.6	13%	0.131	22%	0.217	C	C	.	.	H	α-helix	trans	-67.6	-43.9	174.2	-61.2	-50.8	126.6	0	0	111.3	S100 I101 I121 T123 F124 I128 K129	S100-E126 VanDerWaalsContact CA-OE2 3.24Å; S100-E126 WeakPolarHBondContact CA-OE2 3.42Å; S100-E126 PolarHBondContact OG-OE2 2.87Å; S100-E126 VanDerWaalsContact OG-OE2 3.08Å; I101-E126 HydrophobicContact CD1-CB 4.25Å; I101-E126 WeakPolarHBondContact CD1-O 3.38Å; I101-E126 HydrophobicContact CG1-CB 4.49Å; I101-E126 PolarHBondContact N-OE2 3.27Å; I121-E126 HydrophobicContact CG2-CB 3.81Å; I121-E126 HydrophobicContact CG2-CG 4.4Å; T123-E126 WeakPolarHBondContact O-CB 3.34Å; T123-E126 PolarHBondContact O-N 3.26Å; T123-E126 VanDerWaalsContact O-N 3.16Å; F124-E126 PolarHBondContact O-N 3.46Å; E126-I128 VanDerWaalsContact C-N 3.29Å; E126-I128 PolarHBondContact O-N 3.29Å; E126-K129 WeakPolarHBondContact O-CB 3.33Å; E126-K129 PolarHBondContact O-N 3.42Å; E126-K129 VanDerWaalsContact O-N 3.15Å; E126-K129 IonicContact OE1-NZ 2.9Å; E126-K129 PolarHBondContact OE1-NZ 3.01Å; E126-K129 IonicContact OE2-NZ 2.68Å; E126-K129 PolarHBondContact OE2-NZ 2.76Å
127	V	98	Very high	97.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-33.2	179.4	-173.9	0	0	0	0	112.1	F124 K129 L130 L141 I146 V156 I159 L160	F124-V127 PolarHBondContact O-N 3.21Å; V127-K129 PolarHBondContact O-N 2.96Å; V127-L130 WeakPolarHBondContact O-CB 3.48Å; V127-L130 PolarHBondContact O-N 3.18Å; V127-L130 VanDerWaalsContact O-N 3.09Å; V127-L141 HydrophobicContact CG1-CD1 4.32Å; V127-L141 HydrophobicContact CG2-CD1 3.74Å; V127-I146 HydrophobicContact CG2-CD1 3.31Å; V127-V156 HydrophobicContact CG1-CG1 4.23Å; V127-V156 HydrophobicContact CG1-CG2 4.39Å; V127-I159 HydrophobicContact CB-CD1 4.3Å; V127-I159 HydrophobicContact CG1-CB 4.49Å; V127-I159 HydrophobicContact CG1-CD1 4.3Å; V127-I159 HydrophobicContact CG1-CG2 4.14Å; V127-L160 HydrophobicContact CG1-CD1 3.89Å; V127-L160 HydrophobicContact CG1-CG 4.37Å
128	I	97.2	Very high	97.9	Very high	34 Å²	34	47.2 Å²	47.2	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-56.4	-35	176	-74.5	166.9	0	0	0	111.7	F124 E126 L130 R131 I159 P185	F124-I128 WeakPolarHBondContact O-CG1 3.06Å; F124-I128 PolarHBondContact O-N 2.77Å; E126-I128 VanDerWaalsContact C-N 3.29Å; E126-I128 PolarHBondContact O-N 3.29Å; I128-L130 PolarHBondContact O-N 3.44Å; I128-R131 VanDerWaalsContact O-CB 3.25Å; I128-R131 WeakPolarHBondContact O-CB 3.46Å; I128-R131 WeakPolarHBondContact O-CG 3.28Å; I128-R131 PolarHBondContact O-N 2.92Å; I128-I159 HydrophobicContact CB-CG2 4.41Å; I128-I159 HydrophobicContact CG1-CD1 4.08Å; I128-I159 HydrophobicContact CG1-CG1 4.17Å; I128-I159 HydrophobicContact CG1-CG2 3.94Å; I128-P185 HydrophobicContact CD1-CB 4.25Å; I128-P185 WeakPolarHBondContact CD1-O 2.96Å
129	K	97.5	Very high	97.9	Very high	41 Å²	41	45.9 Å²	45.9	18%	0.178	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-26.3	-178.4	-58.4	172.1	-174.4	167.5	0	112.1	S100 I101 E126 V127 R131 Q132	S100-K129 PolarHBondContact OG-NZ 3.19Å; I101-K129 HydrophobicContact CB-CD 4.37Å; I101-K129 HydrophobicContact CG2-CB 4.18Å; I101-K129 WeakPolarHBondContact O-CD 3.42Å; I101-K129 WeakPolarHBondContact O-CE 3.44Å; I101-K129 PolarHBondContact O-NZ 2.92Å; E126-K129 WeakPolarHBondContact O-CB 3.33Å; E126-K129 PolarHBondContact O-N 3.42Å; E126-K129 VanDerWaalsContact O-N 3.15Å; E126-K129 IonicContact OE1-NZ 2.9Å; E126-K129 PolarHBondContact OE1-NZ 3.01Å; E126-K129 IonicContact OE2-NZ 2.68Å; E126-K129 PolarHBondContact OE2-NZ 2.76Å; V127-K129 PolarHBondContact O-N 2.96Å; K129-R131 PolarHBondContact O-N 2.9Å; K129-Q132 PolarHBondContact O-N 2.77Å; K129-Q132 PolarHBondContact O-NE2 2.69Å
130	L	98.2	Very high	97.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-70	-11.8	175	-60.8	175.8	0	0	0	113.8	I101 F105 I114 M116 V127 I128 Q132 L133 L136 L139 L160	I101-L130 HydrophobicContact CD1-CD1 4Å; I101-L130 HydrophobicContact CD1-CD2 4.12Å; I101-L130 HydrophobicContact CD1-CG 3.91Å; I101-L130 HydrophobicContact CG2-CD2 3.9Å; I101-L130 HydrophobicContact CG2-CG 4.45Å; F105-L130 HydrophobicContact CD1-CD2 4.03Å; I114-L130 HydrophobicContact CD1-CD2 4.2Å; M116-L130 HydrophobicContact CE-CD1 3.99Å; V127-L130 WeakPolarHBondContact O-CB 3.48Å; V127-L130 PolarHBondContact O-N 3.18Å; V127-L130 VanDerWaalsContact O-N 3.09Å; I128-L130 PolarHBondContact O-N 3.44Å; L130-Q132 PolarHBondContact O-N 2.9Å; L130-Q132 VanDerWaalsContact O-N 3.08Å; L130-L133 HydrophobicContact CD2-CD1 3.85Å; L130-L133 WeakPolarHBondContact O-CB 3.26Å; L130-L133 PolarHBondContact O-N 3.03Å; L130-L136 HydrophobicContact CB-CD2 4.09Å; L130-L136 HydrophobicContact CD1-CD2 4.37Å; L130-L139 HydrophobicContact CD1-CD1 4.03Å; L130-L139 HydrophobicContact CD1-CD2 3.86Å; L130-L160 HydrophobicContact CB-CD1 4.06Å; L130-L160 HydrophobicContact CB-CD2 3.93Å; L130-L160 HydrophobicContact CD1-CD1 4.15Å
131	R	95.5	Very high	97.9	Very high	92 Å²	92	40.3 Å²	40.3	35%	0.347	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-58.4	-22	173.1	-77.5	-176.8	168.4	160	3.4	113.3	I128 K129 L133 S158 I159 L160 R184	I128-R131 VanDerWaalsContact O-CB 3.25Å; I128-R131 WeakPolarHBondContact O-CB 3.46Å; I128-R131 WeakPolarHBondContact O-CG 3.28Å; I128-R131 PolarHBondContact O-N 2.92Å; K129-R131 PolarHBondContact O-N 2.9Å; R131-L133 PolarHBondContact O-N 3.45Å; R131-S158 PolarHBondContact NH2-O 3.41Å; R131-I159 HydrophobicContact CG-CG2 3.94Å; R131-I159 VanDerWaalsContact CG-O 3.26Å; R131-I159 WeakPolarHBondContact CG-O 3.46Å; R131-I159 PolarHBondContact NE-O 3.38Å; R131-L160 HydrophobicContact CG-CD2 3.95Å; R131-R184 VanDerWaalsContact NH2-CD 3.32Å
132	Q	95.2	Very high	97.9	Very high	77 Å²	77	42.7 Å²	42.7	36%	0.36	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-72.8	-5.9	179.2	-62	172.4	82.6	0	0	112.8	N103 K129 L130 P134	N103-Q132 PolarHBondContact OD1-NE2 3.02Å; K129-Q132 PolarHBondContact O-N 2.77Å; K129-Q132 PolarHBondContact O-NE2 2.69Å; L130-Q132 PolarHBondContact O-N 2.9Å; L130-Q132 VanDerWaalsContact O-N 3.08Å; Q132-P134 WeakPolarHBondContact O-CD 3.49Å
133	L	98.2	Very high	97.9	Very high	8 Å²	8	43 Å²	43	4%	0.042	22%	0.221	C	C	.	.			trans	-100.3	94.2	-179.6	-61.1	177	0	0	0	110.9	F105 L108 I114 L130 R131 K135 L136	F105-L133 HydrophobicContact CD1-CD1 4.5Å; F105-L133 WeakPolarHBondContact O-CD2 3.39Å; L108-L133 HydrophobicContact CB-CD2 4.33Å; L108-L133 WeakPolarHBondContact O-CD2 3.27Å; I114-L133 HydrophobicContact CD1-CD1 3.38Å; L130-L133 HydrophobicContact CD2-CD1 3.85Å; L130-L133 WeakPolarHBondContact O-CB 3.26Å; L130-L133 PolarHBondContact O-N 3.03Å; R131-L133 PolarHBondContact O-N 3.45Å; L133-K135 PolarHBondContact O-N 3.42Å; L133-K135 VanDerWaalsContact O-N 3.15Å; L133-L136 HydrophobicContact CB-CB 3.86Å; L133-L136 HydrophobicContact CD1-CD2 4.22Å; L133-L136 PolarHBondContact O-N 3.39Å
134	P	96.9	Very high	98	Very high	77 Å²	77	40.3 Å²	40.3	50%	0.5	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.9	-169.7	28.3	-36.5	0	0	0	114	Q132	Q132-P134 WeakPolarHBondContact O-CD 3.49Å
135	K	98.6	Very high	98	Very high	119 Å²	119	42 Å²	42	52%	0.517	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-1.2	-178.1	-58.9	-60	-176.3	-179.6	0	113.5	K109 L111 K112 L133 T137	K109-K135 WeakPolarHBondContact O-CG 3.23Å; L111-K135 CarbonylContact O-C 3.48Å; K112-K135 WeakPolarHBondContact CA-O 3.35Å; K112-K135 HydrophobicContact CG-CB 4.2Å; L133-K135 PolarHBondContact O-N 3.42Å; L133-K135 VanDerWaalsContact O-N 3.15Å; K135-T137 PolarHBondContact O-N 3.37Å
136	L	98.8	Very high	98.1	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.037	20%	0.195	C	C	.	.			trans	-65.4	120.6	-177.4	-176.2	65.4	0	0	0	110.6	L111 I114 L130 L133 L160 L163	L111-L136 WeakPolarHBondContact O-CA 2.85Å; L111-L136 PolarHBondContact O-N 2.9Å; I114-L136 HydrophobicContact CB-CD1 4.09Å; I114-L136 HydrophobicContact CD1-CD1 3.78Å; I114-L136 HydrophobicContact CD1-CD2 4.42Å; I114-L136 HydrophobicContact CG1-CD1 3.75Å; L130-L136 HydrophobicContact CB-CD2 4.09Å; L130-L136 HydrophobicContact CD1-CD2 4.37Å; L133-L136 HydrophobicContact CB-CB 3.86Å; L133-L136 HydrophobicContact CD1-CD2 4.22Å; L133-L136 PolarHBondContact O-N 3.39Å; L136-L160 HydrophobicContact CD2-CD1 4.17Å; L136-L163 HydrophobicContact CG-CD2 4.14Å
137	T	98.8	Very high	98.1	Very high	45 Å²	45	40.2 Å²	40.2	28%	0.276	21%	0.21	S	C	.	.			trans	-128.9	-22.5	-177.8	50.7	0	0	0	0	113	K112 K135 V164 T165	K112-T137 PolarHBondContact O-N 3.49Å; K112-T137 PolarHBondContact O-OG1 2.71Å; K135-T137 PolarHBondContact O-N 3.37Å; T137-V164 HydrophobicContact CG2-CG2 4.21Å; T137-V164 PolarHBondContact O-N 3.3Å; T137-T165 PolarHBondContact O-N 3.39Å; T137-T165 VanDerWaalsContact O-N 3.13Å
138	K	98.9	Very high	98.2	Very high	84 Å²	84	49.4 Å²	49.4	37%	0.365	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.2	178.2	-52.7	-167.9	-175.3	179.3	0	110.1	K112 I113 I114 T165	K112-K138 PolarHBondContact O-N 3.27Å; I113-K138 WeakPolarHBondContact CA-O 3.43Å; I113-K138 HydrophobicContact CB-CB 4.31Å; I113-K138 HydrophobicContact CD1-CD 3.99Å; I113-K138 HydrophobicContact CG1-CB 4.04Å; I113-K138 HydrophobicContact CG1-CD 4Å; I113-K138 HydrophobicContact CG1-CG 4.17Å; I113-K138 HydrophobicContact CG2-CB 4.05Å; I114-K138 PolarHBondContact N-O 3.33Å; K138-T165 WeakPolarHBondContact CA-OG1 3.49Å; K138-T165 VanDerWaalsContact CB-OG1 3.25Å; K138-T165 WeakPolarHBondContact CB-OG1 3.22Å; K138-T165 VanDerWaalsContact CG-OG1 3.27Å; K138-T165 WeakPolarHBondContact CG-OG1 3.25Å
139	L	98.9	Very high	98.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.4	-178.8	179	61	0	0	0	110.2	I114 M116 L130 L141 V156 L160 L163 T165 L166 D167	I114-L139 HydrophobicContact CB-CD1 4.15Å; I114-L139 HydrophobicContact CG2-CD1 4.15Å; I114-L139 VanDerWaalsContact O-CA 3.32Å; I114-L139 WeakPolarHBondContact O-CA 3.37Å; M116-L139 HydrophobicContact CE-CD1 4.01Å; L130-L139 HydrophobicContact CD1-CD1 4.03Å; L130-L139 HydrophobicContact CD1-CD2 3.86Å; L139-L141 HydrophobicContact CD1-CG 4.19Å; L139-L141 HydrophobicContact CD2-CD1 3.68Å; L139-L141 HydrophobicContact CD2-CG 4.08Å; L139-L141 HydrophobicContact CG-CD1 4.17Å; L139-L141 HydrophobicContact CG-CG 4.02Å; L139-V156 HydrophobicContact CD2-CG1 4.43Å; L139-L160 HydrophobicContact CD2-CD1 3.57Å; L139-L163 HydrophobicContact CB-CD1 4.2Å; L139-L163 HydrophobicContact CB-CD2 3.82Å; L139-L163 HydrophobicContact CD2-CD1 4.23Å; L139-T165 PolarHBondContact N-O 3.26Å; L139-T165 VanDerWaalsContact N-O 3.07Å; L139-L166 HydrophobicContact CB-CD1 4.4Å; L139-L166 HydrophobicContact CD2-CD1 4.45Å; L139-L166 HydrophobicContact CG-CD1 4.32Å; L139-L166 CarbonylContact O-C 3.48Å; L139-L166 VanDerWaalsContact O-CA 3.28Å; L139-L166 WeakPolarHBondContact O-CA 3.46Å; L139-D167 PolarHBondContact O-N 2.82Å
140	T	98.9	Very high	98.1	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.6	164	69.5	0	0	0	0	109.9	I114 Y115 M116 H117 D167 F168	I114-T140 PolarHBondContact O-N 3.05Å; I114-T140 VanDerWaalsContact O-N 3.12Å; Y115-T140 VanDerWaalsContact CA-OG1 3.26Å; Y115-T140 WeakPolarHBondContact CA-OG1 3.43Å; Y115-T140 HydrophobicContact CD1-CG2 3.62Å; Y115-T140 HydrophobicContact CE1-CG2 4Å; Y115-T140 HydrophobicContact CG-CG2 4.33Å; M116-T140 CarbonylContact C-O 3.42Å; M116-T140 WeakPolarHBondContact CA-O 3.43Å; M116-T140 PolarHBondContact N-O 2.86Å; M116-T140 PolarHBondContact N-OG1 2.99Å; M116-T140 VanDerWaalsContact N-OG1 3.16Å; H117-T140 PolarHBondContact N-O 3.1Å; H117-T140 PolarHBondContact N-OG1 3.27Å; H117-T140 PolarHBondContact ND1-OG1 3.12Å; T140-D167 VanDerWaalsContact CA-OD1 3.26Å; T140-D167 WeakPolarHBondContact CA-OD1 3.28Å; T140-F168 HydrophobicContact CG2-CD1 4.03Å; T140-F168 HydrophobicContact CG2-CD2 4.3Å; T140-F168 HydrophobicContact CG2-CE1 3.68Å; T140-F168 HydrophobicContact CG2-CE2 3.98Å; T140-F168 HydrophobicContact CG2-CG 4.34Å; T140-F168 HydrophobicContact CG2-CZ 3.66Å
141	L	98.9	Very high	97.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.			trans	-137.4	-4	179.6	-79.1	173.1	0	0	0	112.1	M116 I121 V127 L139 N144 Y152 V156 D167	M116-L141 HydrophobicContact CB-CD2 4.38Å; M116-L141 HydrophobicContact CE-CD2 3.82Å; I121-L141 HydrophobicContact CB-CD2 4.46Å; I121-L141 HydrophobicContact CG1-CD2 4.41Å; I121-L141 HydrophobicContact CG2-CD2 4.31Å; V127-L141 HydrophobicContact CG1-CD1 4.32Å; V127-L141 HydrophobicContact CG2-CD1 3.74Å; L139-L141 HydrophobicContact CD1-CG 4.19Å; L139-L141 HydrophobicContact CD2-CD1 3.68Å; L139-L141 HydrophobicContact CD2-CG 4.08Å; L139-L141 HydrophobicContact CG-CD1 4.17Å; L139-L141 HydrophobicContact CG-CG 4.02Å; L141-N144 WeakPolarHBondContact O-CB 3.15Å; L141-N144 PolarHBondContact O-N 3.48Å; L141-N144 PolarHBondContact O-ND2 2.7Å; L141-Y152 HydrophobicContact CB-CE2 4.43Å; L141-Y152 WeakPolarHBondContact CB-OH 3.45Å; L141-V156 HydrophobicContact CD1-CG2 4.4Å; L141-D167 PolarHBondContact N-OD1 2.75Å
142	H	98.8	Very high	98.1	Very high	50 Å²	50	58.1 Å²	58.1	23%	0.231	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	155.7	172.6	63.4	-82.8	0	0	0	112.4	H117 G118 N144 D167 F168	H117-H142 CarbonylContact C-O 3.6Å; H117-H142 WeakPolarHBondContact CA-O 3.45Å; H117-H142 WeakPolarHBondContact CB-CE1 3.26Å; H117-H142 WeakPolarHBondContact CB-NE2 3.42Å; H117-H142 WeakPolarHBondContact CB-O 3.44Å; H117-H142 AromaticContact CD2-NE2 3.62Å; H117-H142 AromaticContact CG-CE1 3.49Å; H117-H142 VanDerWaalsContact CG-CE1 3.49Å; H117-H142 AromaticContact CG-NE2 3.48Å; H117-H142 AromaticContact ND1-CE1 3.85Å; G118-H142 PolarHBondContact N-O 2.89Å; H142-N144 PolarHBondContact O-N 3.02Å; H142-N144 PolarHBondContact O-ND2 3.26Å; H142-D167 HydrophobicContact CB-CB 4.27Å; H142-D167 IonicContact CE1-OD1 2.82Å; H142-D167 IonicContact CG-OD1 3.94Å; H142-D167 PolarHBondContact N-OD1 3.05Å; H142-D167 IonicContact ND1-OD1 3.56Å; H142-D167 PolarHBondContact ND1-OD1 3.03Å; H142-F168 AromaticContact CE1-CD2 3.82Å; H142-F168 AromaticContact CE1-CE2 3.5Å; H142-F168 VanDerWaalsContact CE1-CE2 3.5Å; H142-F168 WeakPolarHBondContact CE1-CE2 3.45Å
143	G	98.8	Very high	98.2	Very high	48 Å²	48	56.9 Å²	56.9	50%	0.495	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	7.9	-173.6	0	0	0	0	0	114.3	E147	G143-E147 PolarHBondContact N-OE2 3.19Å
144	N	98.9	Very high	98.2	Very high	5 Å²	5	59 Å²	59	3%	0.027	30%	0.304	C	S	.	.	S	Bend	trans	-102.1	155.8	169.1	-72.1	-96.6	0	0	0	110.4	M116 N119 K120 I121 L141 H142 I146 E147	M116-N144 PolarHBondContact O-ND2 2.8Å; N119-N144 WeakPolarHBondContact CA-OD1 2.8Å; N119-N144 WeakPolarHBondContact CB-OD1 3.22Å; N119-N144 PolarHBondContact N-OD1 3.15Å; N119-N144 PolarHBondContact O-OD1 3.28Å; K120-N144 PolarHBondContact N-OD1 3.38Å; I121-N144 HydrophobicContact CB-CB 4.12Å; I121-N144 WeakPolarHBondContact CB-OD1 3.16Å; I121-N144 WeakPolarHBondContact CG1-OD1 3.05Å; I121-N144 PolarHBondContact N-OD1 2.55Å; I121-N144 WeakPolarHBondContact O-CB 3.37Å; L141-N144 WeakPolarHBondContact O-CB 3.15Å; L141-N144 PolarHBondContact O-N 3.48Å; L141-N144 PolarHBondContact O-ND2 2.7Å; H142-N144 PolarHBondContact O-N 3.02Å; H142-N144 PolarHBondContact O-ND2 3.26Å; N144-I146 HydrophobicContact CB-CG2 3.91Å; N144-I146 PolarHBondContact O-N 3.21Å; N144-I146 VanDerWaalsContact O-N 3.1Å; N144-E147 VanDerWaalsContact O-CB 3.27Å; N144-E147 WeakPolarHBondContact O-CB 3.34Å; N144-E147 PolarHBondContact O-N 2.95Å
145	P	98.8	Very high	98.2	Very high	63 Å²	63	56 Å²	56	41%	0.409	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-56.5	-30.5	179.1	-21.7	29.5	0	0	0	114.3	I121 A122 E147 K148	I121-P145 WeakPolarHBondContact O-CD 3.32Å; A122-P145 HydrophobicContact CB-CB 4.08Å; A122-P145 HydrophobicContact CB-CG 4.38Å; P145-E147 PolarHBondContact O-N 3.05Å; P145-E147 VanDerWaalsContact O-N 3.16Å; P145-K148 PolarHBondContact O-N 3.15Å; P145-K148 VanDerWaalsContact O-N 3.17Å
146	I	98.6	Very high	98.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.7	-24.7	176.4	-164.6	179.7	0	0	0	113.8	I121 T123 F124 V127 N144 K148 E149 Y152	I121-I146 HydrophobicContact CG2-CG2 4.29Å; I121-I146 VanDerWaalsContact O-CB 3.29Å; I121-I146 WeakPolarHBondContact O-CB 3.14Å; I121-I146 WeakPolarHBondContact O-CG2 3.46Å; I121-I146 PolarHBondContact O-N 2.87Å; T123-I146 VanDerWaalsContact C-CD1 3.46Å; T123-I146 WeakPolarHBondContact O-CD1 3.36Å; F124-I146 HydrophobicContact CD1-CD1 3.74Å; F124-I146 HydrophobicContact CD1-CG1 4.24Å; F124-I146 HydrophobicContact CE1-CD1 4.08Å; F124-I146 HydrophobicContact CE1-CG1 4.19Å; F124-I146 HydrophobicContact CG-CD1 4.35Å; V127-I146 HydrophobicContact CG2-CD1 3.31Å; N144-I146 HydrophobicContact CB-CG2 3.91Å; N144-I146 PolarHBondContact O-N 3.21Å; N144-I146 VanDerWaalsContact O-N 3.1Å; I146-K148 PolarHBondContact O-N 3.21Å; I146-K148 VanDerWaalsContact O-N 3.12Å; I146-E149 HydrophobicContact CG1-CB 4.48Å; I146-E149 HydrophobicContact CG1-CG 4.04Å; I146-E149 VanDerWaalsContact O-CB 3.23Å; I146-E149 WeakPolarHBondContact O-CB 3.44Å; I146-E149 WeakPolarHBondContact O-CG 3.35Å; I146-E149 PolarHBondContact O-N 3.07Å; I146-Y152 HydrophobicContact CG1-CD2 4.21Å; I146-Y152 HydrophobicContact CG1-CE2 4.29Å; I146-Y152 HydrophobicContact CG2-CE2 3.9Å; I146-Y152 VanDerWaalsContact O-CD2 3.25Å; I146-Y152 WeakPolarHBondContact O-CD2 3.46Å
147	E	98.6	Very high	98.1	Very high	93 Å²	93	50.3 Å²	50.3	44%	0.435	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-58.6	-26.7	178.4	-175.8	178.6	-166.4	0	0	112.2	G143 N144 P145 E149 Y152	G143-E147 PolarHBondContact N-OE2 3.19Å; N144-E147 VanDerWaalsContact O-CB 3.27Å; N144-E147 WeakPolarHBondContact O-CB 3.34Å; N144-E147 PolarHBondContact O-N 2.95Å; P145-E147 PolarHBondContact O-N 3.05Å; P145-E147 VanDerWaalsContact O-N 3.16Å; E147-E149 VanDerWaalsContact C-N 3.33Å; E147-Y152 HydrophobicContact CG-CD1 4.48Å; E147-Y152 HydrophobicContact CG-CE1 4.34Å
148	K	98.4	Very high	98	Very high	193 Å²	193	48.5 Å²	48.5	84%	0.839	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-84.6	-5.9	178.7	-60.4	-178.3	-178.8	179	0	113.5	P145 I146	P145-K148 PolarHBondContact O-N 3.15Å; P145-K148 VanDerWaalsContact O-N 3.17Å; I146-K148 PolarHBondContact O-N 3.21Å; I146-K148 VanDerWaalsContact O-N 3.12Å
149	E	97.7	Very high	98	Very high	90 Å²	90	44.5 Å²	44.5	42%	0.421	23%	0.231	S	C	.	.	S	Bend	trans	-67.5	139.8	179	-71.4	-67.2	126	0	0	111.3	F124 I146 E147 G151 Y152	F124-E149 HydrophobicContact CE2-CB 3.63Å; F124-E149 HydrophobicContact CE2-CG 4.15Å; F124-E149 HydrophobicContact CZ-CB 3.59Å; F124-E149 HydrophobicContact CZ-CG 4.39Å; I146-E149 HydrophobicContact CG1-CB 4.48Å; I146-E149 HydrophobicContact CG1-CG 4.04Å; I146-E149 VanDerWaalsContact O-CB 3.23Å; I146-E149 WeakPolarHBondContact O-CB 3.44Å; I146-E149 WeakPolarHBondContact O-CG 3.35Å; I146-E149 PolarHBondContact O-N 3.07Å; E147-E149 VanDerWaalsContact C-N 3.33Å; E149-G151 PolarHBondContact O-N 3.01Å; E149-Y152 WeakPolarHBondContact O-CB 3.41Å; E149-Y152 PolarHBondContact O-N 3.33Å
150	K	95.4	Very high	97.9	Very high	199 Å²	199	45.1 Å²	45.1	87%	0.865	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	127	-179.1	-176.2	177.9	178.6	178.1	0	110.6	Y152	K150-Y152 PolarHBondContact O-N 3.27Å
151	G	95.4	Very high	97.7	Very high	40 Å²	40	48.1 Å²	48.1	41%	0.412	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	18.6	-179.7	0	0	0	0	0	113.9	E149 F153 H154 T155	E149-G151 PolarHBondContact O-N 3.01Å; G151-F153 PolarHBondContact O-N 3.13Å; G151-F153 VanDerWaalsContact O-N 3.15Å; G151-H154 PolarHBondContact O-N 2.95Å; G151-T155 WeakPolarHBondContact O-CB 3.15Å; G151-T155 PolarHBondContact O-N 3.04Å; G151-T155 PolarHBondContact O-OG1 3.45Å; G151-T155 VanDerWaalsContact O-OG1 3.09Å
152	Y	97.8	Very high	97.7	Very high	22 Å²	22	53.1 Å²	53.1	9%	0.086	28%	0.281	C	S	.	.	H	α-helix	trans	-29.2	-64.5	178.7	170.4	-115.4	0	0	0	114.2	F124 L141 I146 E147 E149 K150 T155 V156 D167	F124-Y152 HydrophobicContact CE1-CD2 4.35Å; L141-Y152 HydrophobicContact CB-CE2 4.43Å; L141-Y152 WeakPolarHBondContact CB-OH 3.45Å; I146-Y152 HydrophobicContact CG1-CD2 4.21Å; I146-Y152 HydrophobicContact CG1-CE2 4.29Å; I146-Y152 HydrophobicContact CG2-CE2 3.9Å; I146-Y152 VanDerWaalsContact O-CD2 3.25Å; I146-Y152 WeakPolarHBondContact O-CD2 3.46Å; E147-Y152 HydrophobicContact CG-CD1 4.48Å; E147-Y152 HydrophobicContact CG-CE1 4.34Å; E149-Y152 WeakPolarHBondContact O-CB 3.41Å; E149-Y152 PolarHBondContact O-N 3.33Å; K150-Y152 PolarHBondContact O-N 3.27Å; Y152-T155 PolarHBondContact O-N 3.43Å; Y152-V156 HydrophobicContact CD2-CG2 3.98Å; Y152-V156 HydrophobicContact CE2-CG2 3.77Å; Y152-V156 VanDerWaalsContact O-CG2 3.31Å; Y152-V156 WeakPolarHBondContact O-CG2 3.48Å; Y152-V156 PolarHBondContact O-N 2.8Å; Y152-D167 WeakPolarHBondContact CE1-OD2 3.12Å; Y152-D167 PolarHBondContact OH-OD2 2.93Å
153	F	98.2	Very high	97.7	Very high	51 Å²	51	50.8 Å²	50.8	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-54.4	-61.3	-175.9	-178.4	-98.4	0	0	0	112.3	G151 T155 V156 L157 L166 I171 D175	G151-F153 PolarHBondContact O-N 3.13Å; G151-F153 VanDerWaalsContact O-N 3.15Å; F153-T155 VanDerWaalsContact C-N 3.33Å; F153-T155 PolarHBondContact O-N 2.67Å; F153-V156 PolarHBondContact O-N 2.74Å; F153-L157 HydrophobicContact CD1-CD1 4.1Å; F153-L157 HydrophobicContact CE1-CD1 3.57Å; F153-L157 HydrophobicContact CE1-CG 4.44Å; F153-L157 HydrophobicContact CZ-CD1 3.85Å; F153-L157 WeakPolarHBondContact O-CG 3.41Å; F153-L157 PolarHBondContact O-N 2.81Å; F153-L166 HydrophobicContact CD2-CD2 3.76Å; F153-L166 HydrophobicContact CD2-CG 4.5Å; F153-L166 HydrophobicContact CE2-CB 4.37Å; F153-L166 HydrophobicContact CE2-CD2 4.22Å; F153-I171 HydrophobicContact CZ-CG1 4.3Å; F153-D175 HydrophobicContact CE1-CB 3.84Å; F153-D175 HydrophobicContact CZ-CB 4.31Å
154	H	97.3	Very high	97.7	Very high	53 Å²	53	52.1 Å²	52.1	25%	0.245	27%	0.268	C	S	.	.	H	α-helix	trans	-68.7	-30.5	-176.3	-61.5	109.6	0	0	0	113.1	G151 L157 S158 A179 I182	G151-H154 PolarHBondContact O-N 2.95Å; H154-L157 PolarHBondContact O-N 3.18Å; H154-S158 WeakPolarHBondContact O-CB 3.45Å; H154-S158 PolarHBondContact O-N 2.94Å; H154-A179 HydrophobicContact CB-CB 4.42Å; H154-A179 WeakPolarHBondContact O-CB 3.43Å; H154-I182 HydrophobicContact CB-CD1 3.29Å
155	T	97.6	Very high	97.7	Very high	13 Å²	13	53.2 Å²	53.2	8%	0.08	28%	0.275	C	S	.	.	H	α-helix	trans	-66.2	-44.5	174.2	-59.3	0	0	0	0	110.6	F124 G151 Y152 F153 L157 S158 I159 P185	F124-T155 HydrophobicContact CD1-CG2 3.56Å; F124-T155 HydrophobicContact CD2-CG2 3.85Å; F124-T155 HydrophobicContact CE1-CG2 3.49Å; F124-T155 VanDerWaalsContact CE1-CG2 3.49Å; F124-T155 HydrophobicContact CE2-CG2 3.76Å; F124-T155 HydrophobicContact CG-CG2 3.76Å; F124-T155 HydrophobicContact CZ-CG2 3.59Å; G151-T155 WeakPolarHBondContact O-CB 3.15Å; G151-T155 PolarHBondContact O-N 3.04Å; G151-T155 PolarHBondContact O-OG1 3.45Å; G151-T155 VanDerWaalsContact O-OG1 3.09Å; Y152-T155 PolarHBondContact O-N 3.43Å; F153-T155 VanDerWaalsContact C-N 3.33Å; F153-T155 PolarHBondContact O-N 2.67Å; T155-L157 VanDerWaalsContact C-N 3.3Å; T155-L157 PolarHBondContact O-N 2.77Å; T155-S158 WeakPolarHBondContact O-CB 3.32Å; T155-S158 PolarHBondContact O-N 3.01Å; T155-S158 VanDerWaalsContact O-N 3.16Å; T155-S158 PolarHBondContact O-OG 3.3Å; T155-I159 HydrophobicContact CG2-CD1 4.17Å; T155-I159 VanDerWaalsContact O-CG1 3.31Å; T155-I159 WeakPolarHBondContact O-CG1 3.42Å; T155-I159 PolarHBondContact O-N 2.95Å; T155-P185 HydrophobicContact CG2-CG 3.7Å
156	V	98.3	Very high	97.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-43.4	173.5	171.9	0	0	0	0	110.8	F124 V127 L139 L141 Y152 F153 S158 I159 L160 L163 L166	F124-V156 HydrophobicContact CD1-CG2 4.43Å; F124-V156 HydrophobicContact CE1-CG2 4.12Å; V127-V156 HydrophobicContact CG1-CG1 4.23Å; V127-V156 HydrophobicContact CG1-CG2 4.39Å; L139-V156 HydrophobicContact CD2-CG1 4.43Å; L141-V156 HydrophobicContact CD1-CG2 4.4Å; Y152-V156 HydrophobicContact CD2-CG2 3.98Å; Y152-V156 HydrophobicContact CE2-CG2 3.77Å; Y152-V156 VanDerWaalsContact O-CG2 3.31Å; Y152-V156 WeakPolarHBondContact O-CG2 3.48Å; Y152-V156 PolarHBondContact O-N 2.8Å; F153-V156 PolarHBondContact O-N 2.74Å; V156-S158 PolarHBondContact O-N 2.82Å; V156-I159 CarbonylContact O-C 3.52Å; V156-I159 WeakPolarHBondContact O-CA 3.2Å; V156-I159 WeakPolarHBondContact O-CB 3.24Å; V156-I159 PolarHBondContact O-N 3.38Å; V156-I159 VanDerWaalsContact O-N 3.09Å; V156-L160 PolarHBondContact O-N 2.83Å; V156-L163 HydrophobicContact CG1-CD1 4.08Å; V156-L166 HydrophobicContact CB-CD2 3.93Å; V156-L166 HydrophobicContact CG1-CD1 4.07Å; V156-L166 HydrophobicContact CG1-CD2 3.78Å
157	L	97.8	Very high	97.7	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-36	176.7	-62.4	-168.8	0	0	0	113.3	F153 H154 T155 I159 L160 P161 L163 L166 I171 D175 A179	F153-L157 HydrophobicContact CD1-CD1 4.1Å; F153-L157 HydrophobicContact CE1-CD1 3.57Å; F153-L157 HydrophobicContact CE1-CG 4.44Å; F153-L157 HydrophobicContact CZ-CD1 3.85Å; F153-L157 WeakPolarHBondContact O-CG 3.41Å; F153-L157 PolarHBondContact O-N 2.81Å; H154-L157 PolarHBondContact O-N 3.18Å; T155-L157 VanDerWaalsContact C-N 3.3Å; T155-L157 PolarHBondContact O-N 2.77Å; L157-I159 PolarHBondContact O-N 2.8Å; L157-L160 CarbonylContact O-C 3.28Å; L157-L160 VanDerWaalsContact O-C 3.28Å; L157-L160 PolarHBondContact O-N 2.9Å; L157-P161 WeakPolarHBondContact O-CA 3.11Å; L157-L163 HydrophobicContact CD2-CB 4.29Å; L157-L163 HydrophobicContact CD2-CD1 4.27Å; L157-L166 HydrophobicContact CD2-CD2 4.49Å; L157-I171 HydrophobicContact CD1-CG1 4.3Å; L157-I171 HydrophobicContact CD1-CG2 3.66Å; L157-I171 HydrophobicContact CD2-CD1 3.31Å; L157-I171 HydrophobicContact CD2-CG1 3.87Å; L157-I171 HydrophobicContact CD2-CG2 4.27Å; L157-D175 HydrophobicContact CD1-CB 3.86Å; L157-A179 HydrophobicContact CB-CB 3.46Å; L157-A179 VanDerWaalsContact CB-CB 3.46Å; L157-A179 HydrophobicContact CD1-CB 4.41Å
158	S	96.7	Very high	97.6	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-29.1	174	84	0	0	0	0	111.7	R131 H154 T155 V156 A179 R184	R131-S158 PolarHBondContact NH2-O 3.41Å; H154-S158 WeakPolarHBondContact O-CB 3.45Å; H154-S158 PolarHBondContact O-N 2.94Å; T155-S158 WeakPolarHBondContact O-CB 3.32Å; T155-S158 PolarHBondContact O-N 3.01Å; T155-S158 VanDerWaalsContact O-N 3.16Å; T155-S158 PolarHBondContact O-OG 3.3Å; V156-S158 PolarHBondContact O-N 2.82Å; S158-A179 VanDerWaalsContact CB-O 3.31Å; S158-A179 WeakPolarHBondContact CB-O 3.3Å; S158-R184 PolarHBondContact O-NE 2.84Å
159	I	97.3	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-77.1	-46.9	176	-63.5	163.4	0	0	0	110.4	F124 V127 I128 R131 T155 V156 L157 P161 P185	F124-I159 HydrophobicContact CB-CD1 3.92Å; F124-I159 HydrophobicContact CD1-CD1 3.96Å; F124-I159 HydrophobicContact CG-CD1 4.26Å; V127-I159 HydrophobicContact CB-CD1 4.3Å; V127-I159 HydrophobicContact CG1-CB 4.49Å; V127-I159 HydrophobicContact CG1-CD1 4.3Å; V127-I159 HydrophobicContact CG1-CG2 4.14Å; I128-I159 HydrophobicContact CB-CG2 4.41Å; I128-I159 HydrophobicContact CG1-CD1 4.08Å; I128-I159 HydrophobicContact CG1-CG1 4.17Å; I128-I159 HydrophobicContact CG1-CG2 3.94Å; R131-I159 HydrophobicContact CG-CG2 3.94Å; R131-I159 VanDerWaalsContact CG-O 3.26Å; R131-I159 WeakPolarHBondContact CG-O 3.46Å; R131-I159 PolarHBondContact NE-O 3.38Å; T155-I159 HydrophobicContact CG2-CD1 4.17Å; T155-I159 VanDerWaalsContact O-CG1 3.31Å; T155-I159 WeakPolarHBondContact O-CG1 3.42Å; T155-I159 PolarHBondContact O-N 2.95Å; V156-I159 CarbonylContact O-C 3.52Å; V156-I159 WeakPolarHBondContact O-CA 3.2Å; V156-I159 WeakPolarHBondContact O-CB 3.24Å; V156-I159 PolarHBondContact O-N 3.38Å; V156-I159 VanDerWaalsContact O-N 3.09Å; L157-I159 PolarHBondContact O-N 2.8Å; I159-P161 VanDerWaalsContact O-CD 3.31Å; I159-P161 WeakPolarHBondContact O-CD 3.38Å; I159-P185 HydrophobicContact CD1-CG 4.48Å
160	L	97.6	Very high	97.7	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.068	26%	0.258	C	S	.	.			trans	-121.4	74	-173	-55.7	174.7	0	0	0	111	V127 L130 R131 L136 L139 V156 L157 N162 L163	V127-L160 HydrophobicContact CG1-CD1 3.89Å; V127-L160 HydrophobicContact CG1-CG 4.37Å; L130-L160 HydrophobicContact CB-CD1 4.06Å; L130-L160 HydrophobicContact CB-CD2 3.93Å; L130-L160 HydrophobicContact CD1-CD1 4.15Å; R131-L160 HydrophobicContact CG-CD2 3.95Å; L136-L160 HydrophobicContact CD2-CD1 4.17Å; L139-L160 HydrophobicContact CD2-CD1 3.57Å; V156-L160 PolarHBondContact O-N 2.83Å; L157-L160 CarbonylContact O-C 3.28Å; L157-L160 VanDerWaalsContact O-C 3.28Å; L157-L160 PolarHBondContact O-N 2.9Å; L160-N162 PolarHBondContact O-N 3.27Å; L160-N162 VanDerWaalsContact O-N 3.11Å; L160-L163 HydrophobicContact CB-CD1 3.73Å; L160-L163 HydrophobicContact CB-CG 3.77Å; L160-L163 HydrophobicContact CD1-CD1 4Å; L160-L163 HydrophobicContact CD1-CG 4.48Å; L160-L163 WeakPolarHBondContact O-CG 3.29Å; L160-L163 PolarHBondContact O-N 3.33Å; L160-L163 VanDerWaalsContact O-N 3.15Å
161	P	95.9	Very high	97.8	Very high	64 Å²	64	37.4 Å²	37.4	42%	0.416	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.3	-171.4	26.7	-36.3	0	0	0	114.6	L157 I159 L163 K176	L157-P161 WeakPolarHBondContact O-CA 3.11Å; I159-P161 VanDerWaalsContact O-CD 3.31Å; I159-P161 WeakPolarHBondContact O-CD 3.38Å; P161-L163 VanDerWaalsContact C-N 3.31Å; P161-K176 PolarHBondContact O-NZ 2.82Å
162	N	97.2	Very high	98	Very high	105 Å²	105	37.9 Å²	37.9	56%	0.561	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.4	179.4	-65	-25.5	0	0	0	113.3	L160	L160-N162 PolarHBondContact O-N 3.27Å; L160-N162 VanDerWaalsContact O-N 3.11Å
163	L	98.6	Very high	97.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.251	C	S	.	.			trans	-60.1	141.7	175.2	-70.3	178	0	0	0	111.3	L136 L139 V156 L157 L160 P161 I171 K176	L136-L163 HydrophobicContact CG-CD2 4.14Å; L139-L163 HydrophobicContact CB-CD1 4.2Å; L139-L163 HydrophobicContact CB-CD2 3.82Å; L139-L163 HydrophobicContact CD2-CD1 4.23Å; V156-L163 HydrophobicContact CG1-CD1 4.08Å; L157-L163 HydrophobicContact CD2-CB 4.29Å; L157-L163 HydrophobicContact CD2-CD1 4.27Å; L160-L163 HydrophobicContact CB-CD1 3.73Å; L160-L163 HydrophobicContact CB-CG 3.77Å; L160-L163 HydrophobicContact CD1-CD1 4Å; L160-L163 HydrophobicContact CD1-CG 4.48Å; L160-L163 WeakPolarHBondContact O-CG 3.29Å; L160-L163 PolarHBondContact O-N 3.33Å; L160-L163 VanDerWaalsContact O-N 3.15Å; P161-L163 VanDerWaalsContact C-N 3.31Å; L163-I171 HydrophobicContact CB-CD1 3.42Å; L163-I171 VanDerWaalsContact CB-CD1 3.42Å; L163-K176 WeakPolarHBondContact O-CE 3.41Å; L163-K176 PolarHBondContact O-NZ 2.98Å
164	V	98.8	Very high	97.9	Very high	76 Å²	76	46.6 Å²	46.6	46%	0.461	26%	0.262	S	S	.	.	S	Bend	trans	-109.7	-35.8	174.1	178.2	0	0	0	0	109.5	T137 I171	T137-V164 HydrophobicContact CG2-CG2 4.21Å; T137-V164 PolarHBondContact O-N 3.3Å; V164-I171 PolarHBondContact O-N 3.1Å
165	T	98.8	Very high	97.9	Very high	29 Å²	29	45.9 Å²	45.9	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	137.7	171.8	67.2	0	0	0	0	111.8	T137 K138 L139 T169	T137-T165 PolarHBondContact O-N 3.39Å; T137-T165 VanDerWaalsContact O-N 3.13Å; K138-T165 WeakPolarHBondContact CA-OG1 3.49Å; K138-T165 VanDerWaalsContact CB-OG1 3.25Å; K138-T165 WeakPolarHBondContact CB-OG1 3.22Å; K138-T165 VanDerWaalsContact CG-OG1 3.27Å; K138-T165 WeakPolarHBondContact CG-OG1 3.25Å; L139-T165 PolarHBondContact N-O 3.26Å; L139-T165 VanDerWaalsContact N-O 3.07Å; T165-T169 CarbonylContact C-O 3.56Å; T165-T169 WeakPolarHBondContact CA-O 3.29Å
166	L	98.9	Very high	97.9	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.1	167.3	176.1	60.4	0	0	0	108	L139 F153 V156 L157 F168 T169 I171	L139-L166 HydrophobicContact CB-CD1 4.4Å; L139-L166 HydrophobicContact CD2-CD1 4.45Å; L139-L166 HydrophobicContact CG-CD1 4.32Å; L139-L166 CarbonylContact O-C 3.48Å; L139-L166 VanDerWaalsContact O-CA 3.28Å; L139-L166 WeakPolarHBondContact O-CA 3.46Å; F153-L166 HydrophobicContact CD2-CD2 3.76Å; F153-L166 HydrophobicContact CD2-CG 4.5Å; F153-L166 HydrophobicContact CE2-CB 4.37Å; F153-L166 HydrophobicContact CE2-CD2 4.22Å; V156-L166 HydrophobicContact CB-CD2 3.93Å; V156-L166 HydrophobicContact CG1-CD1 4.07Å; V156-L166 HydrophobicContact CG1-CD2 3.78Å; L157-L166 HydrophobicContact CD2-CD2 4.49Å; L166-F168 VanDerWaalsContact C-N 3.3Å; L166-F168 PolarHBondContact O-N 2.99Å; L166-T169 PolarHBondContact N-O 2.95Å; L166-T169 WeakPolarHBondContact O-CA 3.37Å; L166-T169 WeakPolarHBondContact O-CB 3.41Å; L166-T169 PolarHBondContact O-N 3.12Å; L166-I171 HydrophobicContact CB-CD1 4.18Å
167	D	98.8	Very high	97.8	Very high	28 Å²	28	54.3 Å²	54.3	15%	0.15	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	46.7	178.8	-60.8	-41.9	0	0	0	113.3	L139 T140 L141 H142 Y152 T169	L139-D167 PolarHBondContact O-N 2.82Å; T140-D167 VanDerWaalsContact CA-OD1 3.26Å; T140-D167 WeakPolarHBondContact CA-OD1 3.28Å; L141-D167 PolarHBondContact N-OD1 2.75Å; H142-D167 HydrophobicContact CB-CB 4.27Å; H142-D167 IonicContact CE1-OD1 2.82Å; H142-D167 IonicContact CG-OD1 3.94Å; H142-D167 PolarHBondContact N-OD1 3.05Å; H142-D167 IonicContact ND1-OD1 3.56Å; H142-D167 PolarHBondContact ND1-OD1 3.03Å; Y152-D167 WeakPolarHBondContact CE1-OD2 3.12Å; Y152-D167 PolarHBondContact OH-OD2 2.93Å; D167-T169 PolarHBondContact O-N 3.01Å; D167-T169 PolarHBondContact O-OG1 3.44Å
168	F	98.3	Very high	97.8	Very high	119 Å²	119	57.1 Å²	57.1	52%	0.522	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	2.6	-175.5	-50.9	-61.9	0	0	0	115.2	Y115 H117 T140 H142 L166	Y115-F168 HydrophobicContact CD1-CE1 4.38Å; Y115-F168 AromaticContact CE1-CE1 3.8Å; Y115-F168 HydrophobicContact CE1-CE1 3.8Å; Y115-F168 HydrophobicContact CE2-CE1 4.03Å; Y115-F168 HydrophobicContact CE2-CZ 4.45Å; Y115-F168 AromaticContact CZ-CE1 3.62Å; H117-F168 AromaticContact CE1-CZ 3.97Å; T140-F168 HydrophobicContact CG2-CD1 4.03Å; T140-F168 HydrophobicContact CG2-CD2 4.3Å; T140-F168 HydrophobicContact CG2-CE1 3.68Å; T140-F168 HydrophobicContact CG2-CE2 3.98Å; T140-F168 HydrophobicContact CG2-CG 4.34Å; T140-F168 HydrophobicContact CG2-CZ 3.66Å; H142-F168 AromaticContact CE1-CD2 3.82Å; H142-F168 AromaticContact CE1-CE2 3.5Å; H142-F168 VanDerWaalsContact CE1-CE2 3.5Å; H142-F168 WeakPolarHBondContact CE1-CE2 3.45Å; L166-F168 VanDerWaalsContact C-N 3.3Å; L166-F168 PolarHBondContact O-N 2.99Å
169	T	98.2	Very high	97.7	Very high	83 Å²	83	57 Å²	57	51%	0.509	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.4	177.5	-56.9	0	0	0	0	109.8	T165 L166 D167	T165-T169 CarbonylContact C-O 3.56Å; T165-T169 WeakPolarHBondContact CA-O 3.29Å; L166-T169 PolarHBondContact N-O 2.95Å; L166-T169 WeakPolarHBondContact O-CA 3.37Å; L166-T169 WeakPolarHBondContact O-CB 3.41Å; L166-T169 PolarHBondContact O-N 3.12Å; D167-T169 PolarHBondContact O-N 3.01Å; D167-T169 PolarHBondContact O-OG1 3.44Å
170	G	98.5	Very high	97.6	Very high	53 Å²	53	61 Å²	61	55%	0.546	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	137.7	174.7	0	0	0	0	0	111.9
171	I	98.5	Very high	97.3	Very high	21 Å²	21	67.8 Å²	67.8	11%	0.108	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-93.7	120.6	-178.6	-64.7	156.3	0	0	0	109.5	F153 L157 L163 V164 L166 D175 K176	F153-I171 HydrophobicContact CZ-CG1 4.3Å; L157-I171 HydrophobicContact CD1-CG1 4.3Å; L157-I171 HydrophobicContact CD1-CG2 3.66Å; L157-I171 HydrophobicContact CD2-CD1 3.31Å; L157-I171 HydrophobicContact CD2-CG1 3.87Å; L157-I171 HydrophobicContact CD2-CG2 4.27Å; L163-I171 HydrophobicContact CB-CD1 3.42Å; L163-I171 VanDerWaalsContact CB-CD1 3.42Å; V164-I171 PolarHBondContact O-N 3.1Å; L166-I171 HydrophobicContact CB-CD1 4.18Å; I171-D175 HydrophobicContact CG2-CB 3.95Å; I171-K176 HydrophobicContact CG2-CG 3.82Å
172	S	98.3	Very high	96.9	Very high	51 Å²	51	67.4 Å²	67.4	36%	0.357	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-81	168.7	179.4	78	0	0	0	0	112.6	A174 D175 K176	S172-A174 VanDerWaalsContact C-N 3.29Å; S172-A174 PolarHBondContact O-N 3.16Å; S172-A174 PolarHBondContact OG-N 2.91Å; S172-D175 WeakPolarHBondContact CA-OD2 3.49Å; S172-D175 VanDerWaalsContact CB-OD2 3.24Å; S172-D175 WeakPolarHBondContact CB-OD2 3.31Å; S172-D175 PolarHBondContact N-OD2 3.18Å; S172-D175 PolarHBondContact O-N 3.26Å; S172-D175 PolarHBondContact OG-N 3.18Å; S172-D175 VanDerWaalsContact OG-N 3.13Å; S172-D175 PolarHBondContact OG-OD2 3.17Å; S172-K176 PolarHBondContact O-N 2.71Å
173	R	96.9	Very high	96	Very high	201 Å²	201	72.2 Å²	72.2	76%	0.758	39%	0.386	S	S	*	.	H	α-helix	trans	-63.3	-36.5	172.2	-173.4	177.8	-179.1	-135.3	2.1	112.1	K176 Q177	R173-K176 PolarHBondContact O-N 3.26Å; R173-Q177 WeakPolarHBondContact O-CG 3.29Å; R173-Q177 PolarHBondContact O-N 2.72Å
174	A	97.9	Very high	94.7	Very high	54 Å²	54	76.9 Å²	76.9	45%	0.446	40%	0.404	S	S	.	.	H	α-helix	trans	-65.4	-41.2	177.9	0	0	0	0	0	111.1	S172 K176 Q177 T178	S172-A174 VanDerWaalsContact C-N 3.29Å; S172-A174 PolarHBondContact O-N 3.16Å; S172-A174 PolarHBondContact OG-N 2.91Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 3.46Å; A174-Q177 WeakPolarHBondContact O-CB 3.05Å; A174-Q177 PolarHBondContact O-N 2.85Å; A174-Q177 VanDerWaalsContact O-N 3.13Å; A174-T178 PolarHBondContact O-N 3.45Å; A174-T178 PolarHBondContact O-OG1 3.09Å
175	D	98	Very high	93.2	Very high	38 Å²	38	75 Å²	75	20%	0.203	39%	0.393	C	S	.	.	H	α-helix	trans	-59.1	-43.8	175.3	-60.6	-43.1	0	0	0	111.5	F153 L157 I171 S172 Q177 T178 A179	F153-D175 HydrophobicContact CE1-CB 3.84Å; F153-D175 HydrophobicContact CZ-CB 4.31Å; L157-D175 HydrophobicContact CD1-CB 3.86Å; I171-D175 HydrophobicContact CG2-CB 3.95Å; S172-D175 WeakPolarHBondContact CA-OD2 3.49Å; S172-D175 VanDerWaalsContact CB-OD2 3.24Å; S172-D175 WeakPolarHBondContact CB-OD2 3.31Å; S172-D175 PolarHBondContact N-OD2 3.18Å; S172-D175 PolarHBondContact O-N 3.26Å; S172-D175 PolarHBondContact OG-N 3.18Å; S172-D175 VanDerWaalsContact OG-N 3.13Å; S172-D175 PolarHBondContact OG-OD2 3.17Å; D175-Q177 VanDerWaalsContact C-N 3.33Å; D175-Q177 PolarHBondContact O-N 2.85Å; D175-T178 PolarHBondContact O-N 2.92Å; D175-A179 VanDerWaalsContact O-CB 3.27Å; D175-A179 WeakPolarHBondContact O-CB 3.48Å; D175-A179 PolarHBondContact O-N 2.84Å
176	K	96.9	Very high	91.5	Very high	84 Å²	84	76.6 Å²	76.6	37%	0.365	42%	0.416	S	S	.	.	H	α-helix	trans	-63.2	-38.8	176.3	-66.8	-170.6	-178.9	-154.1	0	112.2	P161 L163 I171 S172 R173 A174 A180	P161-K176 PolarHBondContact O-NZ 2.82Å; L163-K176 WeakPolarHBondContact O-CE 3.41Å; L163-K176 PolarHBondContact O-NZ 2.98Å; I171-K176 HydrophobicContact CG2-CG 3.82Å; S172-K176 PolarHBondContact O-N 2.71Å; R173-K176 PolarHBondContact O-N 3.26Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 3.46Å; K176-A180 WeakPolarHBondContact O-CB 3.25Å; K176-A180 PolarHBondContact O-N 3.04Å
177	Q	96.7	Very high	89.7	Confident	107 Å²	107	81.7 Å²	81.7	50%	0.5	44%	0.439	S	S	.	.	H	α-helix	trans	-65.3	-48.2	176.4	-73.2	172	-29.4	0	0	111.2	R173 A174 D175 A179 A180 L181	R173-Q177 WeakPolarHBondContact O-CG 3.29Å; R173-Q177 PolarHBondContact O-N 2.72Å; A174-Q177 WeakPolarHBondContact O-CB 3.05Å; A174-Q177 PolarHBondContact O-N 2.85Å; A174-Q177 VanDerWaalsContact O-N 3.13Å; D175-Q177 VanDerWaalsContact C-N 3.33Å; D175-Q177 PolarHBondContact O-N 2.85Å; Q177-A179 PolarHBondContact O-N 2.88Å; Q177-A180 PolarHBondContact O-N 2.81Å; Q177-L181 PolarHBondContact O-N 2.81Å
178	T	96.2	Very high	86.9	Confident	66 Å²	66	87.7 Å²	87.7	41%	0.405	47%	0.471	S	S	.	.	H	α-helix	trans	-59.1	-46.1	176.1	-58.3	0	0	0	0	111.5	A174 D175 A180 L181	A174-T178 PolarHBondContact O-N 3.45Å; A174-T178 PolarHBondContact O-OG1 3.09Å; D175-T178 PolarHBondContact O-N 2.92Å; T178-A180 VanDerWaalsContact C-N 3.3Å; T178-A180 PolarHBondContact O-N 2.78Å; T178-L181 WeakPolarHBondContact O-CB 3.21Å; T178-L181 PolarHBondContact O-N 3.29Å; T178-L181 VanDerWaalsContact O-N 3.17Å
179	A	96	Very high	84.4	Confident	3 Å²	3	91.7 Å²	91.7	3%	0.025	49%	0.489	C	S	.	.	H	α-helix	trans	-64	-33	178.5	0	0	0	0	0	113.3	H154 L157 S158 D175 Q177 L181 I182	H154-A179 HydrophobicContact CB-CB 4.42Å; H154-A179 WeakPolarHBondContact O-CB 3.43Å; L157-A179 HydrophobicContact CB-CB 3.46Å; L157-A179 VanDerWaalsContact CB-CB 3.46Å; L157-A179 HydrophobicContact CD1-CB 4.41Å; S158-A179 VanDerWaalsContact CB-O 3.31Å; S158-A179 WeakPolarHBondContact CB-O 3.3Å; D175-A179 VanDerWaalsContact O-CB 3.27Å; D175-A179 WeakPolarHBondContact O-CB 3.48Å; D175-A179 PolarHBondContact O-N 2.84Å; Q177-A179 PolarHBondContact O-N 2.88Å; A179-L181 PolarHBondContact O-N 3.39Å; A179-I182 WeakPolarHBondContact O-CB 3.28Å; A179-I182 PolarHBondContact O-N 3.13Å
180	A	93.8	Very high	81.4	Confident	83 Å²	83	100.3 Å²	100.3	69%	0.686	52%	0.522	S	S	*	.	H	α-helix	trans	-68.2	-23.4	176.6	0	0	0	0	0	113.2	K176 Q177 T178 I182	K176-A180 WeakPolarHBondContact O-CB 3.25Å; K176-A180 PolarHBondContact O-N 3.04Å; Q177-A180 PolarHBondContact O-N 2.81Å; T178-A180 VanDerWaalsContact C-N 3.3Å; T178-A180 PolarHBondContact O-N 2.78Å; A180-I182 VanDerWaalsContact C-N 3.31Å
181	L	91.9	Very high	80.6	Confident	156 Å²	156	102.7 Å²	102.7	82%	0.817	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-15.2	174.5	-60.1	175.2	0	0	0	112.7	Q177 T178 A179	Q177-L181 PolarHBondContact O-N 2.81Å; T178-L181 WeakPolarHBondContact O-CB 3.21Å; T178-L181 PolarHBondContact O-N 3.29Å; T178-L181 VanDerWaalsContact O-N 3.17Å; A179-L181 PolarHBondContact O-N 3.39Å
182	I	88.6	Confident	79.6	Confident	56 Å²	56	106.9 Å²	106.9	29%	0.287	54%	0.543	S	S	.	.	S	Bend	trans	-80.1	130.3	179.6	-62.4	-179.9	0	0	0	109.8	H154 A179 A180 R184	H154-I182 HydrophobicContact CB-CD1 3.29Å; A179-I182 WeakPolarHBondContact O-CB 3.28Å; A179-I182 PolarHBondContact O-N 3.13Å; A180-I182 VanDerWaalsContact C-N 3.31Å; I182-R184 PolarHBondContact O-N 2.86Å
183	R	76.6	Confident	78.6	Confident	206 Å²	206	110.1 Å²	110.1	78%	0.777	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-63.3	120.7	170.6	-172.4	174.7	72.3	-120.4	4.4	109.3
184	R	72.1	Confident	77.5	Confident	100 Å²	100	104.7 Å²	104.7	38%	0.377	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-60.9	127.2	179.8	-69.8	169.3	173.8	176.7	9	110.1	R131 S158 I182 G186 Q187	R131-R184 VanDerWaalsContact NH2-CD 3.32Å; S158-R184 PolarHBondContact O-NE 2.84Å; I182-R184 PolarHBondContact O-N 2.86Å; R184-G186 PolarHBondContact O-N 3.14Å; R184-Q187 HydrophobicContact CB-CG 4.05Å; R184-Q187 PolarHBondContact O-N 3.01Å
185	P	67.5	Low	76.3	Confident	36 Å²	36	107.9 Å²	107.9	23%	0.234	55%	0.547	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	140.9	170.9	-20.1	30.5	0	0	0	110.6	I128 T155 I159	I128-P185 HydrophobicContact CD1-CB 4.25Å; I128-P185 WeakPolarHBondContact CD1-O 2.96Å; T155-P185 HydrophobicContact CG2-CG 3.7Å; I159-P185 HydrophobicContact CD1-CG 4.48Å
186	G	63.6	Low	74.8	Confident	63 Å²	63	112.5 Å²	112.5	65%	0.649	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.8	-3.9	179.6	0	0	0	0	0	116.5	R184 N188	R184-G186 PolarHBondContact O-N 3.14Å; G186-N188 PolarHBondContact O-N 3.16Å
187	Q	60	Low	73.2	Confident	107 Å²	107	114.6 Å²	114.6	50%	0.5	59%	0.585	S	S	.	*			trans	-82.4	92.2	167.7	-70.6	-174.1	-29.4	0	0	109.5	R184	R184-Q187 HydrophobicContact CB-CG 4.05Å; R184-Q187 PolarHBondContact O-N 3.01Å
188	N	40.5	Very low	71.4	Confident	154 Å²	154	115.2 Å²	115.2	82%	0.824	59%	0.591	S	S	*	*			trans	-65.8	136.6	162.3	-80.7	-15.3	0	0	0	108.6	G186 H190	G186-N188 PolarHBondContact O-N 3.16Å; N188-H190 PolarHBondContact O-N 3.45Å
189	K	46.1	Very low	69.4	Low	204 Å²	204	119.3 Å²	119.3	89%	0.887	61%	0.607	S	S	*	*			trans	-61	129.6	162	-72.8	-174.6	174.2	-174.9	0	107.2
190	H	35.7	Very low	66.9	Low	263 Å²	263	129.8 Å²	129.8	100%	1.218	66%	0.66	S	S	*	*			trans	-60.7	0	152.8	-76.2	-70.1	0	0	0	109.3	N188	N188-H190 PolarHBondContact O-N 3.45Å

Retrieved 190 of 190 residues in 403.5 ms (Link to these results)

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