A0A087XXA0_POEFO Loading...

Small ribosomal subunit protein eS1

AlphaFold DB (A0A3P9MSE3), UniProt , Accession A0A087XXA0, Species POEFO (Poecilia formosa, Amazon molly), Gene RPS3A, Length 266 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	44.3	Very low	47.4	Very low	249 Å²	249	167.4 Å²	167.4	100%	1.227	88%	0.875	S	S	*	*				0	149.6	0	-103.5	-173	-97.4	0	0	108.9
2	A	39.2	Very low	47.4	Very low	93 Å²	93	159.7 Å²	159.7	77%	0.769	87%	0.867	S	S	*	*			trans	73.5	91.5	-170	0	0	0	0	0	114.3
3	V	42.2	Very low	47.4	Very low	149 Å²	149	153.2 Å²	153.2	90%	0.903	86%	0.86	S	S	*	*				67.4	95.2	59.9	-169.5	0	0	0	0	112.7
4	G	43.7	Very low	47.9	Very low	73 Å²	73	156.9 Å²	156.9	75%	0.753	86%	0.862	S	S	*	*			trans	-160.8	65.3	170.9	0	0	0	0	0	110.9	N6	G4-N6 PolarHBondContact O-N 3.4Å; G4-N6 VanDerWaalsContact O-N 3.07Å
5	K	49.9	Very low	48.1	Very low	197 Å²	197	158.1 Å²	158.1	86%	0.857	86%	0.855	S	S	*	*			trans	-60.8	103.8	173	-77.6	174.5	175.6	172.5	0	109.3	K7	K5-K7 VanDerWaalsContact C-N 3.27Å; K5-K7 PolarHBondContact O-N 3.26Å
6	N	49.5	Very low	48.5	Very low	177 Å²	177	152.4 Å²	152.4	95%	0.947	84%	0.844	S	S	*	*			trans	-71.3	91.6	162.8	-106.5	11.2	0	0	0	109.4	G4	G4-N6 PolarHBondContact O-N 3.4Å; G4-N6 VanDerWaalsContact O-N 3.07Å
7	K	47.8	Very low	49	Very low	187 Å²	187	148.9 Å²	148.9	81%	0.813	84%	0.84	S	S	*	*			trans	-79.6	128.1	173.3	-158.4	177.6	-172.7	-180	0	107.8	K5	K5-K7 VanDerWaalsContact C-N 3.27Å; K5-K7 PolarHBondContact O-N 3.26Å
8	R	48.4	Very low	49.5	Very low	214 Å²	214	150.8 Å²	150.8	81%	0.808	84%	0.838	S	S	*	*			trans	74	107.5	163.6	-76.1	171.8	126	179.5	-2	118.3
9	L	48.4	Very low	50.4	Low	180 Å²	180	153.3 Å²	153.3	94%	0.942	84%	0.839	S	S	*	*				-138.7	72.6	112.7	-94.2	159.8	0	0	0	108.4
10	T	56.4	Low	51.4	Low	118 Å²	118	155 Å²	155	72%	0.724	84%	0.838	S	S	*	*			trans	-81.4	138.5	157.1	42.7	0	0	0	0	108.5
11	K	52.2	Low	52.8	Low	204 Å²	204	156.3 Å²	156.3	89%	0.887	84%	0.842	S	S	*	*	S	Bend	trans	84.8	96.9	178.1	-70.9	-180	174.2	174.2	0	116
12	G	47.3	Very low	54.8	Low	75 Å²	75	147.5 Å²	147.5	77%	0.773	80%	0.803	S	S	*	*			trans	-179.9	-13.2	165.3	0	0	0	0	0	112.6	K14	G12-K14 PolarHBondContact O-N 3.2Å
13	G	47.5	Very low	57.3	Low	75 Å²	75	147.3 Å²	147.3	77%	0.773	79%	0.789	S	S	*	*	S	Bend	trans	-57.4	107.6	165.4	0	0	0	0	0	108.6	K15	G13-K15 VanDerWaalsContact C-N 3.28Å; G13-K15 PolarHBondContact O-N 3.22Å
14	K	53.9	Low	59.6	Low	205 Å²	205	144.6 Å²	144.6	89%	0.891	77%	0.774	S	S	*	*			trans	-35.7	95.7	169.6	-125.2	172	-179.3	172.7	0	107.3	G12 G16	G12-K14 PolarHBondContact O-N 3.2Å; K14-G16 VanDerWaalsContact C-N 3.33Å; K14-G16 PolarHBondContact O-N 3.37Å
15	K	50.9	Low	62	Low	176 Å²	176	147.6 Å²	147.6	77%	0.765	77%	0.767	S	S	*	*			trans	-54.8	107.4	173.2	-119.7	177.3	179.9	174.9	0	103	G13 A17	G13-K15 VanDerWaalsContact C-N 3.28Å; G13-K15 PolarHBondContact O-N 3.22Å; K15-A17 PolarHBondContact O-N 2.82Å
16	G	54.3	Low	64	Low	66 Å²	66	140.8 Å²	140.8	68%	0.68	74%	0.744	S	S	*	*			trans	-40.9	116.9	-179.8	0	0	0	0	0	106.6	K14 K18	K14-G16 VanDerWaalsContact C-N 3.33Å; K14-G16 PolarHBondContact O-N 3.37Å; G16-K18 PolarHBondContact O-N 3.35Å
17	A	57.5	Low	66.1	Low	94 Å²	94	136.2 Å²	136.2	78%	0.777	72%	0.716	S	S	*	*			trans	-43.8	109.5	-168.4	0	0	0	0	0	106.7	K15 K19	K15-A17 PolarHBondContact O-N 2.82Å; A17-K19 VanDerWaalsContact C-N 3.28Å; A17-K19 PolarHBondContact O-N 2.93Å
18	K	57.3	Low	68.4	Low	183 Å²	183	130.3 Å²	130.3	80%	0.796	69%	0.69	S	S	*	*			trans	-54.2	105.8	178.6	-84.1	-174.7	173.4	-172.1	0	103.5	G16 K20	G16-K18 PolarHBondContact O-N 3.35Å; K18-K20 PolarHBondContact O-N 2.86Å
19	K	66.4	Low	70.6	Confident	197 Å²	197	123 Å²	123	86%	0.857	67%	0.667	S	S	*	*			trans	-48	116.8	174.5	-78.7	-178.8	177.9	175.8	0	103.8	A17 I21	A17-K19 VanDerWaalsContact C-N 3.28Å; A17-K19 PolarHBondContact O-N 2.93Å; K19-I21 PolarHBondContact O-N 3.48Å
20	K	70.9	Confident	72.9	Confident	187 Å²	187	121.6 Å²	121.6	81%	0.813	65%	0.649	S	S	*	*			trans	-47.5	125.3	178.1	-80.9	-173.6	175.2	-177.6	0	105.7	K18 V22	K18-K20 PolarHBondContact O-N 2.86Å; K20-V22 HydrophobicContact CB-CG2 3.68Å; K20-V22 PolarHBondContact O-N 3.46Å
21	I	81.4	Confident	74.8	Confident	183 Å²	183	117.6 Å²	117.6	94%	0.938	62%	0.621	S	S	*	*			trans	-67.9	93	173.5	-63	168.8	0	0	0	104	K19	K19-I21 PolarHBondContact O-N 3.48Å
22	V	86.3	Confident	76.9	Confident	64 Å²	64	109.6 Å²	109.6	39%	0.388	59%	0.588	S	S	.	*			trans	-108.5	127.8	-179.6	175.4	0	0	0	0	106.1	K20 P24 S26	K20-V22 HydrophobicContact CB-CG2 3.68Å; K20-V22 PolarHBondContact O-N 3.46Å; V22-P24 WeakPolarHBondContact O-CD 3.42Å; V22-S26 WeakPolarHBondContact CG1-OG 3.49Å
23	D	91.4	Very high	79.3	Confident	90 Å²	90	106.2 Å²	106.2	48%	0.481	55%	0.552	S	S	.	*			trans	-54.3	122.8	176	177	5.5	0	0	0	110.3	F25 S26	D23-F25 PolarHBondContact O-N 3.08Å; D23-F25 PolarHBondContact OD1-N 3.19Å; D23-S26 WeakPolarHBondContact O-CB 3.21Å; D23-S26 PolarHBondContact O-N 3.18Å; D23-S26 VanDerWaalsContact O-N 3.13Å; D23-S26 PolarHBondContact O-OG 3.25Å
24	P	90.6	Very high	81.6	Confident	91 Å²	91	104.5 Å²	104.5	59%	0.591	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-54.6	-29.6	174.4	-26.7	35.9	0	0	0	114.7	V22 K27	V22-P24 WeakPolarHBondContact O-CD 3.42Å; P24-K27 PolarHBondContact O-N 3.45Å
25	F	94.2	Very high	83.6	Confident	136 Å²	136	94.7 Å²	94.7	60%	0.596	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-72.1	-29	178.5	-73.5	-80	0	0	0	113	D23 K27 K28 L48	D23-F25 PolarHBondContact O-N 3.08Å; D23-F25 PolarHBondContact OD1-N 3.19Å; F25-K27 PolarHBondContact O-N 3.27Å; F25-K28 HydrophobicContact CD1-CD 3.91Å; F25-K28 HydrophobicContact CE1-CD 4.35Å; F25-K28 PolarHBondContact O-N 3.07Å; F25-L48 HydrophobicContact CD1-CD1 4.13Å; F25-L48 HydrophobicContact CE1-CD1 4.08Å
26	S	92.1	Very high	85.7	Confident	54 Å²	54	86.3 Å²	86.3	38%	0.378	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-58.9	-21.1	174.1	72.2	0	0	0	0	112.8	V22 D23 R51	V22-S26 WeakPolarHBondContact CG1-OG 3.49Å; D23-S26 WeakPolarHBondContact O-CB 3.21Å; D23-S26 PolarHBondContact O-N 3.18Å; D23-S26 VanDerWaalsContact O-N 3.13Å; D23-S26 PolarHBondContact O-OG 3.25Å; S26-R51 PolarHBondContact O-NH2 3.4Å
27	K	92.8	Very high	87.5	Confident	82 Å²	82	85.8 Å²	85.8	36%	0.357	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-94.8	6.8	179.6	-59.4	-179.9	-178.4	179.7	0	113.6	P24 F25 R51	P24-K27 PolarHBondContact O-N 3.45Å; F25-K27 PolarHBondContact O-N 3.27Å; K27-R51 WeakPolarHBondContact O-CG 3.42Å; K27-R51 PolarHBondContact O-N 3.21Å
28	K	95.8	Very high	89.1	Confident	63 Å²	63	82 Å²	82	27%	0.274	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	143.1	-177.7	-62.6	-178.8	-176.1	-71.4	0	111.1	F25 L48 V49 T50	F25-K28 HydrophobicContact CD1-CD 3.91Å; F25-K28 HydrophobicContact CE1-CD 4.35Å; F25-K28 PolarHBondContact O-N 3.07Å; K28-L48 HydrophobicContact CB-CD1 4.34Å; K28-L48 HydrophobicContact CD-CD1 3.48Å; K28-L48 VanDerWaalsContact CD-CD1 3.48Å; K28-L48 HydrophobicContact CD-CG 4.07Å; K28-V49 CarbonylContact C-O 3.57Å; K28-V49 VanDerWaalsContact CA-O 3.23Å; K28-V49 WeakPolarHBondContact CA-O 3.44Å; K28-T50 PolarHBondContact NZ-OG1 3.4Å
29	D	94.6	Very high	90.8	Very high	60 Å²	60	73.5 Å²	73.5	32%	0.321	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.6	174.5	-69.2	0.3	0	0	0	109.6	Y31 L48 V49 R51	D29-Y31 HydrophobicContact CB-CE2 4Å; D29-L48 WeakPolarHBondContact O-CA 3.38Å; D29-V49 PolarHBondContact N-O 3.47Å; D29-V49 PolarHBondContact O-N 2.84Å; D29-R51 HydrophobicContact CB-CG 4.24Å; D29-R51 WeakPolarHBondContact OD1-CD 2.98Å; D29-R51 WeakPolarHBondContact OD1-CG 3.49Å; D29-R51 IonicContact OD1-CZ 3.37Å; D29-R51 IonicContact OD1-NE 2.64Å; D29-R51 PolarHBondContact OD1-NE 3.28Å; D29-R51 WeakPolarHBondContact OD2-CD 3.39Å; D29-R51 WeakPolarHBondContact OD2-CG 3.28Å; D29-R51 IonicContact OD2-NE 2.92Å
30	W	96.4	Very high	92	Very high	151 Å²	151	69.2 Å²	69.2	57%	0.572	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	138.2	179.5	-67.3	92.8	0	0	0	111.3	K46 L48	W30-K46 HydrophobicContact CE3-CB 3.68Å; W30-K46 HydrophobicContact CZ3-CB 4.11Å; W30-L48 HydrophobicContact CD2-CB 4.05Å; W30-L48 HydrophobicContact CE3-CB 3.95Å; W30-L48 HydrophobicContact CH2-CD1 4.43Å; W30-L48 HydrophobicContact CH2-CD2 4.4Å; W30-L48 HydrophobicContact CZ2-CD1 4.32Å; W30-L48 HydrophobicContact CZ3-CB 4.21Å; W30-L48 HydrophobicContact CZ3-CD2 4.28Å
31	Y	97	Very high	93	Very high	34 Å²	34	62.9 Å²	62.9	13%	0.133	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.5	178.9	-70.8	-107.4	0	0	0	109.5	D29 K46 T47 V49 L62 V91 G93 K94	D29-Y31 HydrophobicContact CB-CE2 4Å; Y31-K46 CarbonylContact O-C 3.6Å; Y31-K46 WeakPolarHBondContact O-CA 3.26Å; Y31-T47 PolarHBondContact N-O 3.49Å; Y31-T47 PolarHBondContact O-N 2.9Å; Y31-V49 HydrophobicContact CD2-CG1 3.83Å; Y31-V49 HydrophobicContact CE2-CG1 3.45Å; Y31-V49 VanDerWaalsContact CE2-CG1 3.45Å; Y31-L62 HydrophobicContact CD1-CD1 3.58Å; Y31-L62 HydrophobicContact CD2-CD1 3.8Å; Y31-L62 HydrophobicContact CE1-CD1 3.7Å; Y31-L62 HydrophobicContact CE2-CD1 3.94Å; Y31-L62 HydrophobicContact CG-CD1 3.64Å; Y31-V91 HydrophobicContact CD1-CG1 3.95Å; Y31-V91 HydrophobicContact CE1-CG1 3.85Å; Y31-G93 VanDerWaalsContact CE1-O 3.28Å; Y31-G93 WeakPolarHBondContact CE1-O 3.47Å; Y31-K94 CarbonylContact C-O 3.4Å; Y31-K94 VanDerWaalsContact CA-O 3.29Å; Y31-K94 WeakPolarHBondContact CA-O 3.41Å; Y31-K94 WeakPolarHBondContact CB-O 3.18Å
32	D	96.6	Very high	93.6	Very high	36 Å²	36	57.7 Å²	57.7	19%	0.193	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.1	175.9	-68.8	-42.8	0	0	0	110	K46 K94 N95 C96	D32-K46 WeakPolarHBondContact OD1-CG 3.27Å; D32-K46 IonicContact OD1-NZ 3.79Å; D32-K46 PolarHBondContact OD1-NZ 3.42Å; D32-K46 IonicContact OD2-NZ 3.99Å; D32-K94 PolarHBondContact N-O 3.02Å; D32-N95 CarbonylContact O-C 3.48Å; D32-N95 WeakPolarHBondContact O-CA 3.37Å; D32-C96 PolarHBondContact O-N 3.3Å
33	V	97	Very high	93.9	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.6	178.9	-171.3	0	0	0	0	109.2	I44 G45 T47 F67 C96 T98	V33-I44 HydrophobicContact CB-CB 4.38Å; V33-I44 HydrophobicContact CG1-CB 4.47Å; V33-I44 HydrophobicContact CG1-CD1 3.95Å; V33-I44 PolarHBondContact O-N 3.38Å; V33-G45 PolarHBondContact N-O 2.67Å; V33-T47 HydrophobicContact CG2-CG2 3.62Å; V33-F67 HydrophobicContact CB-CE2 4.34Å; V33-F67 HydrophobicContact CG1-CD2 3.6Å; V33-F67 HydrophobicContact CG1-CE2 3.51Å; V33-F67 HydrophobicContact CG1-CG 4.4Å; V33-F67 HydrophobicContact CG1-CZ 4.29Å; V33-F67 HydrophobicContact CG2-CD2 4.5Å; V33-F67 HydrophobicContact CG2-CE1 4.36Å; V33-F67 HydrophobicContact CG2-CE2 3.81Å; V33-F67 HydrophobicContact CG2-CZ 3.75Å; V33-C96 HydrophobicContact CG2-CB 4.46Å; V33-T98 HydrophobicContact CG1-CG2 3.45Å; V33-T98 VanDerWaalsContact CG1-CG2 3.45Å
34	K	96.4	Very high	94	Very high	39 Å²	39	56.6 Å²	56.6	17%	0.17	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.4	-177.3	-59.7	-58.9	-175.7	-170.6	0	111.6	R42 N43 N95 C96 L97 T98 H232	K34-R42 CarbonylContact C-O 3.58Å; K34-R42 WeakPolarHBondContact CA-O 3.28Å; K34-N43 PolarHBondContact NZ-OD1 3.41Å; K34-N95 HydrophobicContact CG-CB 4.26Å; K34-C96 PolarHBondContact N-O 3.03Å; K34-L97 HydrophobicContact CB-CD2 4.24Å; K34-T98 WeakPolarHBondContact O-CB 3.4Å; K34-T98 PolarHBondContact O-N 3.34Å; K34-T98 PolarHBondContact O-OG1 2.7Å; K34-H232 PolarHBondContact O-CE1 3.27Å
35	A	95.4	Very high	94.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.269	C	S	.	.			trans	-78.2	152.9	170.5	0	0	0	0	0	111.2	F39 R42 I44 L74 L86 H232	A35-F39 HydrophobicContact CB-CD2 4.11Å; A35-R42 PolarHBondContact N-O 3.46Å; A35-I44 HydrophobicContact CB-CD1 3.82Å; A35-I44 HydrophobicContact CB-CG1 3.9Å; A35-L74 HydrophobicContact CB-CD2 4.07Å; A35-L86 HydrophobicContact CB-CD1 4.22Å; A35-H232 VanDerWaalsContact C-CE1 3.42Å; A35-H232 PolarHBondContact O-CE1 3.2Å; A35-H232 VanDerWaalsContact O-CE1 3.25Å; A35-H232 PolarHBondContact O-ND1 3.03Å
36	P	95	Very high	94.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.			trans	-56.3	158.4	168.7	-21.9	29.4	0	0	0	112.8	M38 F39 T98	P36-M38 HydrophobicContact CB-CE 3.46Å; P36-M38 VanDerWaalsContact CB-CE 3.46Å; P36-M38 HydrophobicContact CB-CG 4.49Å; P36-M38 HydrophobicContact CG-CE 3.69Å; P36-M38 PolarHBondContact O-N 3.16Å; P36-F39 PolarHBondContact O-N 2.95Å; P36-T98 WeakPolarHBondContact CD-O 3.44Å; P36-T98 VanDerWaalsContact CG-O 3.25Å; P36-T98 WeakPolarHBondContact CG-O 3.36Å
37	A	93	Very high	94.5	Very high	55 Å²	55	51.5 Å²	51.5	46%	0.455	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	1.1	177.6	0	0	0	0	0	114.5	F39 L231	A37-F39 PolarHBondContact O-N 3.46Å; A37-L231 VanDerWaalsContact CB-O 3.25Å; A37-L231 WeakPolarHBondContact CB-O 3.4Å; A37-L231 PolarHBondContact N-O 2.66Å
38	M	90.6	Very high	94.6	Very high	14 Å²	14	49.9 Å²	49.9	7%	0.069	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.6	169.7	-61.1	175.6	-73.9	0	0	112.4	P36 K182 V185	P36-M38 HydrophobicContact CB-CE 3.46Å; P36-M38 VanDerWaalsContact CB-CE 3.46Å; P36-M38 HydrophobicContact CB-CG 4.49Å; P36-M38 HydrophobicContact CG-CE 3.69Å; P36-M38 PolarHBondContact O-N 3.16Å; M38-K182 HydrophobicContact CG-CG 3.96Å; M38-K182 HydrophobicContact SD-CB 4.28Å; M38-K182 HydrophobicContact SD-CG 4.09Å; M38-V185 HydrophobicContact CB-CG1 4.35Å; M38-V185 HydrophobicContact CE-CB 4.35Å; M38-V185 HydrophobicContact CE-CG1 4.17Å; M38-V185 HydrophobicContact CE-CG2 4.37Å; M38-V185 HydrophobicContact SD-CB 3.54Å; M38-V185 VanDerWaalsContact SD-CB 3.54Å; M38-V185 HydrophobicContact SD-CG1 3.68Å; M38-V185 HydrophobicContact SD-CG2 4.07Å
39	F	92.6	Very high	94.7	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.018	24%	0.239	C	C	.	.	S	Bend	trans	-110.1	144.2	179.1	-56.3	-72.8	0	0	0	110.1	A35 P36 A37 L71 L74 F84 L86 V185 I189	A35-F39 HydrophobicContact CB-CD2 4.11Å; P36-F39 PolarHBondContact O-N 2.95Å; A37-F39 PolarHBondContact O-N 3.46Å; F39-L71 HydrophobicContact CD1-CD1 4.42Å; F39-L71 HydrophobicContact CE1-CD1 4.2Å; F39-L74 HydrophobicContact CB-CB 4.11Å; F39-L74 HydrophobicContact CD1-CB 3.65Å; F39-L74 HydrophobicContact CD1-CD1 3.97Å; F39-L74 HydrophobicContact CD1-CG 4.35Å; F39-L74 HydrophobicContact CD2-CD1 4.43Å; F39-L74 HydrophobicContact CE1-CB 4.28Å; F39-L74 HydrophobicContact CE1-CD1 3.82Å; F39-L74 HydrophobicContact CE2-CD1 4.3Å; F39-L74 HydrophobicContact CG-CB 3.95Å; F39-L74 HydrophobicContact CG-CD1 4.27Å; F39-L74 HydrophobicContact CG-CD2 4.44Å; F39-L74 HydrophobicContact CG-CG 4.46Å; F39-L74 HydrophobicContact CZ-CD1 3.99Å; F39-F84 HydrophobicContact CE1-CD1 4.37Å; F39-F84 HydrophobicContact CE1-CD2 4.45Å; F39-F84 HydrophobicContact CE1-CE1 4.46Å; F39-F84 HydrophobicContact CE1-CG 4.37Å; F39-F84 AromaticContact CZ-CD1 3.88Å; F39-F84 HydrophobicContact CZ-CD1 3.88Å; F39-F84 HydrophobicContact CZ-CE1 4.24Å; F39-F84 HydrophobicContact CZ-CG 4.1Å; F39-L86 HydrophobicContact CE2-CD2 4.07Å; F39-V185 HydrophobicContact CZ-CG1 4.12Å; F39-I189 HydrophobicContact CD1-CD1 4.13Å; F39-I189 HydrophobicContact CE1-CD1 4Å; F39-I189 HydrophobicContact CE1-CG1 4.18Å
40	N	91.3	Very high	94.7	Very high	108 Å²	108	47.5 Å²	47.5	58%	0.578	24%	0.243	S	C	*	.	S	Bend	trans	-68.1	-43	178.5	-65.5	-6.9	0	0	0	111.1	R42 L74 Q75	N40-R42 PolarHBondContact O-N 3.4Å; N40-L74 PolarHBondContact N-O 3.28Å; N40-Q75 VanDerWaalsContact ND2-CD 3.26Å; N40-Q75 PolarHBondContact ND2-NE2 3.05Å; N40-Q75 VanDerWaalsContact ND2-NE2 3.17Å; N40-Q75 PolarHBondContact ND2-OE1 3.4Å; N40-Q75 VanDerWaalsContact ND2-OE1 3.09Å; N40-Q75 PolarHBondContact OD1-NE2 3.02Å; N40-Q75 PolarHBondContact OD1-OE1 2.97Å
41	I	92.8	Very high	94.5	Very high	54 Å²	54	46.1 Å²	46.1	28%	0.277	24%	0.237	S	C	.	.			trans	-86.6	103	178.9	-58.9	170.8	0	0	0	108.9	D73 L74 N76	I41-D73 VanDerWaalsContact CD1-O 3.27Å; I41-D73 WeakPolarHBondContact CD1-O 3.42Å; I41-L74 WeakPolarHBondContact CB-O 3.22Å; I41-L74 PolarHBondContact N-O 3.3Å; I41-N76 WeakPolarHBondContact CD1-OD1 3.21Å
42	R	92.9	Very high	94.3	Very high	74 Å²	74	48.4 Å²	48.4	28%	0.279	26%	0.255	S	S	.	.			trans	-79.6	-23.4	179.4	-66.6	-168.4	70.5	-149.3	0.2	114	K34 A35 N40 H232 E234	K34-R42 CarbonylContact C-O 3.58Å; K34-R42 WeakPolarHBondContact CA-O 3.28Å; A35-R42 PolarHBondContact N-O 3.46Å; N40-R42 PolarHBondContact O-N 3.4Å; R42-H232 PolarHBondContact NH2-ND1 3.1Å; R42-H232 PolarHBondContact NH2-O 3Å; R42-E234 IonicContact CZ-OE1 3.65Å; R42-E234 VanDerWaalsContact CZ-OE1 3.23Å; R42-E234 IonicContact NH1-OE1 3.51Å; R42-E234 PolarHBondContact NH1-OE1 3.49Å; R42-E234 IonicContact NH2-OE1 2.72Å; R42-E234 PolarHBondContact NH2-OE1 3.2Å
43	N	93.5	Very high	94	Very high	81 Å²	81	51.7 Å²	51.7	43%	0.433	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	106.7	-176.4	-161.3	42.1	0	0	0	110.7	K34	K34-N43 PolarHBondContact NZ-OD1 3.41Å
44	I	92.9	Very high	93.7	Very high	49 Å²	49	55.3 Å²	55.3	25%	0.251	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-39.8	-177	-59	165.6	0	0	0	110.6	V33 A35 V69 L74 L86	V33-I44 HydrophobicContact CB-CB 4.38Å; V33-I44 HydrophobicContact CG1-CB 4.47Å; V33-I44 HydrophobicContact CG1-CD1 3.95Å; V33-I44 PolarHBondContact O-N 3.38Å; A35-I44 HydrophobicContact CB-CD1 3.82Å; A35-I44 HydrophobicContact CB-CG1 3.9Å; I44-V69 HydrophobicContact CG2-CG1 4.25Å; I44-V69 HydrophobicContact CG2-CG2 3.52Å; I44-L74 HydrophobicContact CG1-CD2 4.06Å; I44-L86 HydrophobicContact CD1-CD1 3.48Å; I44-L86 VanDerWaalsContact CD1-CD1 3.48Å
45	G	94.7	Very high	93.5	Very high	28 Å²	28	60.1 Å²	60.1	29%	0.289	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	157.8	-161.1	-176.1	0	0	0	0	0	112.5	V33	V33-G45 PolarHBondContact N-O 2.67Å
46	K	96.3	Very high	93.3	Very high	134 Å²	134	69.9 Å²	69.9	58%	0.583	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.6	-178.8	-61	-173.4	179.8	-73.8	0	111.8	W30 Y31 D32	W30-K46 HydrophobicContact CE3-CB 3.68Å; W30-K46 HydrophobicContact CZ3-CB 4.11Å; Y31-K46 CarbonylContact O-C 3.6Å; Y31-K46 WeakPolarHBondContact O-CA 3.26Å; D32-K46 WeakPolarHBondContact OD1-CG 3.27Å; D32-K46 IonicContact OD1-NZ 3.79Å; D32-K46 PolarHBondContact OD1-NZ 3.42Å; D32-K46 IonicContact OD2-NZ 3.99Å
47	T	96.6	Very high	93.2	Very high	12 Å²	12	74 Å²	74	7%	0.074	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.6	173	-164.9	0	0	0	0	110	Y31 V33 L62 R65 F67	Y31-T47 PolarHBondContact N-O 3.49Å; Y31-T47 PolarHBondContact O-N 2.9Å; V33-T47 HydrophobicContact CG2-CG2 3.62Å; T47-L62 HydrophobicContact CG2-CD2 3.56Å; T47-R65 PolarHBondContact OG1-NH1 2.68Å; T47-F67 HydrophobicContact CG2-CZ 4.1Å
48	L	95.9	Very high	93.2	Very high	49 Å²	49	71.6 Å²	71.6	26%	0.257	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.5	179.5	73.3	173	0	0	0	111.9	F25 K28 D29 W30 R65	F25-L48 HydrophobicContact CD1-CD1 4.13Å; F25-L48 HydrophobicContact CE1-CD1 4.08Å; K28-L48 HydrophobicContact CB-CD1 4.34Å; K28-L48 HydrophobicContact CD-CD1 3.48Å; K28-L48 VanDerWaalsContact CD-CD1 3.48Å; K28-L48 HydrophobicContact CD-CG 4.07Å; D29-L48 WeakPolarHBondContact O-CA 3.38Å; W30-L48 HydrophobicContact CD2-CB 4.05Å; W30-L48 HydrophobicContact CE3-CB 3.95Å; W30-L48 HydrophobicContact CH2-CD1 4.43Å; W30-L48 HydrophobicContact CH2-CD2 4.4Å; W30-L48 HydrophobicContact CZ2-CD1 4.32Å; W30-L48 HydrophobicContact CZ3-CB 4.21Å; W30-L48 HydrophobicContact CZ3-CD2 4.28Å; L48-R65 PolarHBondContact O-NH1 3.21Å; L48-R65 PolarHBondContact O-NH2 3.42Å
49	V	96.6	Very high	93.3	Very high	9 Å²	9	72.5 Å²	72.5	6%	0.055	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.7	172.3	67.6	0	0	0	0	109.6	K28 D29 Y31 A58 L62	K28-V49 CarbonylContact C-O 3.57Å; K28-V49 VanDerWaalsContact CA-O 3.23Å; K28-V49 WeakPolarHBondContact CA-O 3.44Å; D29-V49 PolarHBondContact N-O 3.47Å; D29-V49 PolarHBondContact O-N 2.84Å; Y31-V49 HydrophobicContact CD2-CG1 3.83Å; Y31-V49 HydrophobicContact CE2-CG1 3.45Å; Y31-V49 VanDerWaalsContact CE2-CG1 3.45Å; V49-A58 HydrophobicContact CG1-CB 3.9Å; V49-L62 HydrophobicContact CB-CD1 4.37Å; V49-L62 HydrophobicContact CB-CD2 3.83Å; V49-L62 HydrophobicContact CB-CG 3.85Å; V49-L62 HydrophobicContact CG1-CD1 3.67Å; V49-L62 HydrophobicContact CG1-CD2 3.98Å; V49-L62 HydrophobicContact CG1-CG 3.71Å; V49-L62 HydrophobicContact CG2-CG 4.2Å
50	T	94.9	Very high	93.4	Very high	64 Å²	64	77 Å²	77	39%	0.393	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	136.6	172.8	-53.1	0	0	0	0	109.3	K28	K28-T50 PolarHBondContact NZ-OG1 3.4Å
51	R	93.6	Very high	93.4	Very high	122 Å²	122	73.6 Å²	73.6	46%	0.46	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-54	147.6	174.6	-74.5	-170.3	-116.9	170.4	1.8	111.4	S26 K27 D29 Q53	S26-R51 PolarHBondContact O-NH2 3.4Å; K27-R51 WeakPolarHBondContact O-CG 3.42Å; K27-R51 PolarHBondContact O-N 3.21Å; D29-R51 HydrophobicContact CB-CG 4.24Å; D29-R51 WeakPolarHBondContact OD1-CD 2.98Å; D29-R51 WeakPolarHBondContact OD1-CG 3.49Å; D29-R51 IonicContact OD1-CZ 3.37Å; D29-R51 IonicContact OD1-NE 2.64Å; D29-R51 PolarHBondContact OD1-NE 3.28Å; D29-R51 WeakPolarHBondContact OD2-CD 3.39Å; D29-R51 WeakPolarHBondContact OD2-CG 3.28Å; D29-R51 IonicContact OD2-NE 2.92Å; R51-Q53 PolarHBondContact O-N 3.3Å
52	T	92.8	Very high	93.5	Very high	81 Å²	81	71 Å²	71	50%	0.497	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-55	124.1	175.1	-61.3	0	0	0	0	109.8	R56 A58	T52-R56 VanDerWaalsContact CA-O 3.32Å; T52-R56 WeakPolarHBondContact CA-O 3.35Å; T52-A58 WeakPolarHBondContact OG1-CB 3.37Å; T52-A58 PolarHBondContact OG1-N 3.01Å
53	Q	89.3	Confident	93.6	Very high	106 Å²	106	71.2 Å²	71.2	50%	0.495	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-139.9	118.5	178.4	-72	-171.8	-1.9	0	0	109.6	R51 T55 R56	R51-Q53 PolarHBondContact O-N 3.3Å; Q53-T55 PolarHBondContact O-N 3.38Å; Q53-R56 PolarHBondContact N-O 3.04Å; Q53-R56 VanDerWaalsContact N-O 3.16Å; Q53-R56 PolarHBondContact O-N 3.09Å
54	G	91.8	Very high	93.7	Very high	78 Å²	78	69.9 Å²	69.9	80%	0.804	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	-122.9	-176.8	0	0	0	0	0	111.2
55	T	91.8	Very high	93.8	Very high	140 Å²	140	71.2 Å²	71.2	86%	0.859	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.3	-177.7	54.9	0	0	0	0	114.5	Q53	Q53-T55 PolarHBondContact O-N 3.38Å
56	R	90.5	Very high	94	Very high	205 Å²	205	73 Å²	73	77%	0.774	40%	0.402	S	S	*	.	B	Isolated β-bridge	trans	-94.6	106.5	-179.8	-67.1	-176.3	-179.6	178.7	-0.3	110	T52 Q53	T52-R56 VanDerWaalsContact CA-O 3.32Å; T52-R56 WeakPolarHBondContact CA-O 3.35Å; Q53-R56 PolarHBondContact N-O 3.04Å; Q53-R56 VanDerWaalsContact N-O 3.16Å; Q53-R56 PolarHBondContact O-N 3.09Å
57	I	93.9	Very high	94	Very high	87 Å²	87	68.7 Å²	68.7	45%	0.446	38%	0.383	S	S	.	.			trans	-84.7	133.5	178	-46.6	178.3	0	0	0	109.7	S59 D60	I57-S59 VanDerWaalsContact C-N 3.3Å; I57-S59 WeakPolarHBondContact CG2-OG 3.3Å; I57-S59 PolarHBondContact O-N 3.33Å; I57-D60 PolarHBondContact O-N 2.96Å
58	A	92.3	Very high	94	Very high	5 Å²	5	72.3 Å²	72.3	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-60.7	-37.4	179.3	0	0	0	0	0	112.9	V49 T52 D60 G61 L62	V49-A58 HydrophobicContact CG1-CB 3.9Å; T52-A58 WeakPolarHBondContact OG1-CB 3.37Å; T52-A58 PolarHBondContact OG1-N 3.01Å; A58-D60 VanDerWaalsContact C-N 3.29Å; A58-D60 PolarHBondContact O-N 3.44Å; A58-G61 PolarHBondContact O-N 2.81Å; A58-L62 PolarHBondContact O-N 2.8Å
59	S	93.4	Very high	94.1	Very high	33 Å²	33	70.7 Å²	70.7	23%	0.231	39%	0.391	C	S	.	.	H	α-helix	trans	-58.1	-41.2	177.7	54.8	0	0	0	0	112.1	I57 G61 L62 K63	I57-S59 VanDerWaalsContact C-N 3.3Å; I57-S59 WeakPolarHBondContact CG2-OG 3.3Å; I57-S59 PolarHBondContact O-N 3.33Å; S59-G61 VanDerWaalsContact C-N 3.27Å; S59-G61 PolarHBondContact O-N 3.26Å; S59-L62 WeakPolarHBondContact O-CB 3.49Å; S59-L62 PolarHBondContact O-N 3.37Å; S59-K63 WeakPolarHBondContact O-CG 3.32Å; S59-K63 PolarHBondContact O-N 3.24Å
60	D	93	Very high	94.1	Very high	99 Å²	99	71.4 Å²	71.4	53%	0.529	40%	0.397	S	S	.	.	H	α-helix	trans	-70.3	-30.1	-176.7	-58.9	-9.5	0	0	0	111.2	I57 A58 L62	I57-D60 PolarHBondContact O-N 2.96Å; A58-D60 VanDerWaalsContact C-N 3.29Å; A58-D60 PolarHBondContact O-N 3.44Å; D60-L62 VanDerWaalsContact C-N 3.31Å
61	G	92.3	Very high	94.1	Very high	36 Å²	36	68.3 Å²	68.3	37%	0.371	38%	0.378	S	S	.	.	H	α-helix	trans	-78.2	-11.6	172.3	0	0	0	0	0	114.6	A58 S59 R65	A58-G61 PolarHBondContact O-N 2.81Å; S59-G61 VanDerWaalsContact C-N 3.27Å; S59-G61 PolarHBondContact O-N 3.26Å; G61-R65 PolarHBondContact O-NE 3.2Å; G61-R65 PolarHBondContact O-NH2 2.9Å; G61-R65 VanDerWaalsContact O-NH2 3.15Å
62	L	94.6	Very high	94.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-95.9	-42	175	-75.7	169	0	0	0	111.8	Y31 T47 V49 A58 S59 D60 R65 T88 V91	Y31-L62 HydrophobicContact CD1-CD1 3.58Å; Y31-L62 HydrophobicContact CD2-CD1 3.8Å; Y31-L62 HydrophobicContact CE1-CD1 3.7Å; Y31-L62 HydrophobicContact CE2-CD1 3.94Å; Y31-L62 HydrophobicContact CG-CD1 3.64Å; T47-L62 HydrophobicContact CG2-CD2 3.56Å; V49-L62 HydrophobicContact CB-CD1 4.37Å; V49-L62 HydrophobicContact CB-CD2 3.83Å; V49-L62 HydrophobicContact CB-CG 3.85Å; V49-L62 HydrophobicContact CG1-CD1 3.67Å; V49-L62 HydrophobicContact CG1-CD2 3.98Å; V49-L62 HydrophobicContact CG1-CG 3.71Å; V49-L62 HydrophobicContact CG2-CG 4.2Å; A58-L62 PolarHBondContact O-N 2.8Å; S59-L62 WeakPolarHBondContact O-CB 3.49Å; S59-L62 PolarHBondContact O-N 3.37Å; D60-L62 VanDerWaalsContact C-N 3.31Å; L62-R65 WeakPolarHBondContact O-CB 3.48Å; L62-R65 VanDerWaalsContact O-CG 3.32Å; L62-R65 WeakPolarHBondContact O-CG 3.29Å; L62-R65 PolarHBondContact O-N 2.87Å; L62-T88 WeakPolarHBondContact O-CB 3.39Å; L62-V91 HydrophobicContact CB-CG2 3.85Å; L62-V91 HydrophobicContact CD1-CG1 4.19Å; L62-V91 HydrophobicContact CD1-CG2 4.12Å
63	K	95.3	Very high	94.3	Very high	78 Å²	78	65.1 Å²	65.1	34%	0.339	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	140.9	175.4	-68.6	-178.5	-173.6	-150.1	0	110.2	S59 R65 E89 D90 V91	S59-K63 WeakPolarHBondContact O-CG 3.32Å; S59-K63 PolarHBondContact O-N 3.24Å; K63-R65 VanDerWaalsContact C-N 3.28Å; K63-R65 PolarHBondContact O-N 3.43Å; K63-E89 WeakPolarHBondContact CD-O 3.4Å; K63-D90 WeakPolarHBondContact CE-OD1 3.27Å; K63-D90 IonicContact NZ-OD1 2.73Å; K63-D90 PolarHBondContact NZ-OD1 3.35Å; K63-V91 HydrophobicContact CG-CG2 4.26Å
64	G	94.3	Very high	94.4	Very high	53 Å²	53	60.1 Å²	60.1	55%	0.546	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-6.4	-177.6	0	0	0	0	0	115.5	V66 T88	G64-V66 PolarHBondContact O-N 3.32Å; G64-T88 PolarHBondContact N-O 3.41Å
65	R	97	Very high	94.5	Very high	76 Å²	76	57.9 Å²	57.9	29%	0.287	32%	0.317	S	S	.	.			trans	-65.3	133.4	169.5	-69	-176.4	-173.5	-165	1.5	110.3	T47 L48 G61 L62 K63 F67 V87 T88	T47-R65 PolarHBondContact OG1-NH1 2.68Å; L48-R65 PolarHBondContact O-NH1 3.21Å; L48-R65 PolarHBondContact O-NH2 3.42Å; G61-R65 PolarHBondContact O-NE 3.2Å; G61-R65 PolarHBondContact O-NH2 2.9Å; G61-R65 VanDerWaalsContact O-NH2 3.15Å; L62-R65 WeakPolarHBondContact O-CB 3.48Å; L62-R65 VanDerWaalsContact O-CG 3.32Å; L62-R65 WeakPolarHBondContact O-CG 3.29Å; L62-R65 PolarHBondContact O-N 2.87Å; K63-R65 VanDerWaalsContact C-N 3.28Å; K63-R65 PolarHBondContact O-N 3.43Å; R65-F67 HydrophobicContact CB-CE2 4.24Å; R65-F67 HydrophobicContact CB-CZ 4.03Å; R65-V87 CarbonylContact O-C 3.5Å; R65-V87 WeakPolarHBondContact O-CA 3.27Å; R65-T88 PolarHBondContact O-N 2.96Å
66	V	97.3	Very high	94.3	Very high	67 Å²	67	56 Å²	56	41%	0.406	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.1	176.9	-174.4	0	0	0	0	109.1	G64 K85 L86 V87	G64-V66 PolarHBondContact O-N 3.32Å; V66-K85 HydrophobicContact CG1-CB 3.82Å; V66-K85 HydrophobicContact CG1-CD 4.5Å; V66-K85 HydrophobicContact CG1-CG 4.26Å; V66-L86 CarbonylContact C-O 3.59Å; V66-L86 WeakPolarHBondContact CA-O 3.38Å; V66-V87 HydrophobicContact CG2-CB 4.09Å; V66-V87 HydrophobicContact CG2-CG2 3.99Å
67	F	96.9	Very high	94.1	Very high	42 Å²	42	54.4 Å²	54.4	18%	0.184	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.2	174.6	-56.4	-72.2	0	0	0	109.2	V33 T47 R65 V69 K85 L86 T88 T98	V33-F67 HydrophobicContact CB-CE2 4.34Å; V33-F67 HydrophobicContact CG1-CD2 3.6Å; V33-F67 HydrophobicContact CG1-CE2 3.51Å; V33-F67 HydrophobicContact CG1-CG 4.4Å; V33-F67 HydrophobicContact CG1-CZ 4.29Å; V33-F67 HydrophobicContact CG2-CD2 4.5Å; V33-F67 HydrophobicContact CG2-CE1 4.36Å; V33-F67 HydrophobicContact CG2-CE2 3.81Å; V33-F67 HydrophobicContact CG2-CZ 3.75Å; T47-F67 HydrophobicContact CG2-CZ 4.1Å; R65-F67 HydrophobicContact CB-CE2 4.24Å; R65-F67 HydrophobicContact CB-CZ 4.03Å; F67-V69 HydrophobicContact CB-CG2 4.33Å; F67-K85 CarbonylContact O-C 3.56Å; F67-K85 WeakPolarHBondContact O-CA 3.42Å; F67-L86 PolarHBondContact N-O 3.36Å; F67-L86 PolarHBondContact O-N 3.29Å; F67-T88 VanDerWaalsContact CE2-OG1 3.3Å; F67-T88 WeakPolarHBondContact CE2-OG1 3.42Å; F67-T98 HydrophobicContact CD2-CG2 4.24Å; F67-T98 HydrophobicContact CE2-CG2 4.46Å
68	E	97.4	Very high	93.8	Very high	88 Å²	88	53.3 Å²	53.3	41%	0.411	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.8	173.5	-173	168.6	154.9	0	0	108.4	K83 F84 K85	E68-K83 HydrophobicContact CG-CB 4.02Å; E68-K83 HydrophobicContact CG-CD 4.34Å; E68-K83 WeakPolarHBondContact OE1-CD 3.23Å; E68-K83 WeakPolarHBondContact OE1-CE 3.35Å; E68-K83 IonicContact OE1-NZ 2.67Å; E68-K83 PolarHBondContact OE1-NZ 3.34Å; E68-F84 WeakPolarHBondContact CA-O 3.14Å; E68-K85 HydrophobicContact CG-CG 4.46Å; E68-K85 IonicContact OE2-NZ 3.43Å; E68-K85 PolarHBondContact OE2-NZ 3.21Å
69	V	96.4	Very high	93.8	Very high	15 Å²	15	55.5 Å²	55.5	9%	0.091	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.5	-171.7	-168.9	0	0	0	0	108.7	I44 F67 D73 L74 K83 F84	I44-V69 HydrophobicContact CG2-CG1 4.25Å; I44-V69 HydrophobicContact CG2-CG2 3.52Å; F67-V69 HydrophobicContact CB-CG2 4.33Å; V69-D73 HydrophobicContact CG1-CB 3.93Å; V69-L74 HydrophobicContact CB-CD1 4.19Å; V69-L74 HydrophobicContact CB-CD2 4.49Å; V69-L74 HydrophobicContact CB-CG 4.29Å; V69-L74 HydrophobicContact CG1-CD1 4.25Å; V69-L74 HydrophobicContact CG1-CD2 3.99Å; V69-L74 HydrophobicContact CG1-CG 3.81Å; V69-K83 CarbonylContact O-C 3.58Å; V69-K83 VanDerWaalsContact O-CA 3.28Å; V69-K83 WeakPolarHBondContact O-CA 3.31Å; V69-F84 PolarHBondContact N-O 3.05Å; V69-F84 PolarHBondContact O-N 3.37Å
70	S	96.3	Very high	93.9	Very high	24 Å²	24	56.8 Å²	56.8	17%	0.168	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	146.1	172.4	-175.6	0	0	0	0	110.3	A72 D73 L74 A80	S70-A72 PolarHBondContact O-N 3.31Å; S70-A72 PolarHBondContact OG-N 2.98Å; S70-D73 WeakPolarHBondContact CB-OD2 3.38Å; S70-D73 PolarHBondContact O-N 3.36Å; S70-L74 PolarHBondContact O-N 3.21Å; S70-A80 PolarHBondContact OG-O 3.35Å
71	L	95.3	Very high	94	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.5	-34.3	173.9	177.6	60.9	0	0	0	111.6	F39 D73 L74 Q75 E78 V79 R82 F84 I189	F39-L71 HydrophobicContact CD1-CD1 4.42Å; F39-L71 HydrophobicContact CE1-CD1 4.2Å; L71-D73 PolarHBondContact O-N 3.44Å; L71-L74 PolarHBondContact O-N 2.97Å; L71-Q75 HydrophobicContact CD1-CB 4.07Å; L71-Q75 PolarHBondContact O-N 2.93Å; L71-E78 HydrophobicContact CD2-CB 3.89Å; L71-E78 HydrophobicContact CD2-CG 4.27Å; L71-E78 HydrophobicContact CG-CB 3.82Å; L71-E78 HydrophobicContact CG-CG 4.4Å; L71-V79 HydrophobicContact CD2-CG2 4.21Å; L71-R82 HydrophobicContact CB-CB 3.95Å; L71-R82 HydrophobicContact CD2-CB 4.19Å; L71-R82 PolarHBondContact N-O 2.87Å; L71-F84 HydrophobicContact CB-CD2 4.14Å; L71-F84 HydrophobicContact CB-CE2 3.98Å; L71-F84 HydrophobicContact CD1-CD2 4.2Å; L71-F84 HydrophobicContact CD1-CE2 3.73Å; L71-F84 HydrophobicContact CD2-CE2 4.22Å; L71-F84 HydrophobicContact CG-CE2 4.18Å; L71-I189 HydrophobicContact CD1-CG1 4.27Å; L71-I189 HydrophobicContact CD1-CG2 4.18Å; L71-I189 HydrophobicContact CD2-CG2 4.32Å
72	A	95.5	Very high	94.2	Very high	35 Å²	35	52.4 Å²	52.4	29%	0.289	29%	0.293	S	S	.	.	H	α-helix	trans	-62.8	-24.6	177	0	0	0	0	0	113.3	S70 A80	S70-A72 PolarHBondContact O-N 3.31Å; S70-A72 PolarHBondContact OG-N 2.98Å; A72-A80 HydrophobicContact CB-CB 4.04Å
73	D	94.7	Very high	94.3	Very high	101 Å²	101	55 Å²	55	54%	0.54	30%	0.304	S	S	.	.	H	α-helix	trans	-86.5	-14.2	176.1	-57	-34.1	0	0	0	112.2	I41 V69 S70 L71	I41-D73 VanDerWaalsContact CD1-O 3.27Å; I41-D73 WeakPolarHBondContact CD1-O 3.42Å; V69-D73 HydrophobicContact CG1-CB 3.93Å; S70-D73 WeakPolarHBondContact CB-OD2 3.38Å; S70-D73 PolarHBondContact O-N 3.36Å; L71-D73 PolarHBondContact O-N 3.44Å
74	L	93.2	Very high	94.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-100	-28.8	179.3	-67.6	173.9	0	0	0	112.1	A35 F39 N40 I41 I44 V69 S70 L71 F84 L86	A35-L74 HydrophobicContact CB-CD2 4.07Å; F39-L74 HydrophobicContact CB-CB 4.11Å; F39-L74 HydrophobicContact CD1-CB 3.65Å; F39-L74 HydrophobicContact CD1-CD1 3.97Å; F39-L74 HydrophobicContact CD1-CG 4.35Å; F39-L74 HydrophobicContact CD2-CD1 4.43Å; F39-L74 HydrophobicContact CE1-CB 4.28Å; F39-L74 HydrophobicContact CE1-CD1 3.82Å; F39-L74 HydrophobicContact CE2-CD1 4.3Å; F39-L74 HydrophobicContact CG-CB 3.95Å; F39-L74 HydrophobicContact CG-CD1 4.27Å; F39-L74 HydrophobicContact CG-CD2 4.44Å; F39-L74 HydrophobicContact CG-CG 4.46Å; F39-L74 HydrophobicContact CZ-CD1 3.99Å; N40-L74 PolarHBondContact N-O 3.28Å; I41-L74 WeakPolarHBondContact CB-O 3.22Å; I41-L74 PolarHBondContact N-O 3.3Å; I44-L74 HydrophobicContact CG1-CD2 4.06Å; V69-L74 HydrophobicContact CB-CD1 4.19Å; V69-L74 HydrophobicContact CB-CD2 4.49Å; V69-L74 HydrophobicContact CB-CG 4.29Å; V69-L74 HydrophobicContact CG1-CD1 4.25Å; V69-L74 HydrophobicContact CG1-CD2 3.99Å; V69-L74 HydrophobicContact CG1-CG 3.81Å; S70-L74 PolarHBondContact O-N 3.21Å; L71-L74 PolarHBondContact O-N 2.97Å; L74-F84 HydrophobicContact CD1-CB 4Å; L74-F84 HydrophobicContact CD1-CD2 4.44Å; L74-F84 HydrophobicContact CD1-CG 4.4Å; L74-L86 HydrophobicContact CD1-CD1 4.28Å; L74-L86 HydrophobicContact CD2-CD1 4.25Å
75	Q	92.3	Very high	94.6	Very high	31 Å²	31	51.4 Å²	51.4	15%	0.145	27%	0.274	C	S	.	.	S	Bend	trans	-137.9	125.2	-176.3	-165.9	72.8	-19.7	0	0	110.2	N40 L71 E78	N40-Q75 VanDerWaalsContact ND2-CD 3.26Å; N40-Q75 PolarHBondContact ND2-NE2 3.05Å; N40-Q75 VanDerWaalsContact ND2-NE2 3.17Å; N40-Q75 PolarHBondContact ND2-OE1 3.4Å; N40-Q75 VanDerWaalsContact ND2-OE1 3.09Å; N40-Q75 PolarHBondContact OD1-NE2 3.02Å; N40-Q75 PolarHBondContact OD1-OE1 2.97Å; L71-Q75 HydrophobicContact CD1-CB 4.07Å; L71-Q75 PolarHBondContact O-N 2.93Å; Q75-E78 HydrophobicContact CB-CB 4.04Å; Q75-E78 HydrophobicContact CB-CG 3.79Å; Q75-E78 HydrophobicContact CG-CB 4.23Å; Q75-E78 HydrophobicContact CG-CG 3.46Å; Q75-E78 VanDerWaalsContact CG-CG 3.46Å
76	N	88.8	Confident	94.6	Very high	100 Å²	100	47.8 Å²	47.8	54%	0.535	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	140	173.9	-62.2	-18.9	0	0	0	109.9	I41 E78	I41-N76 WeakPolarHBondContact CD1-OD1 3.21Å; N76-E78 PolarHBondContact O-N 3.47Å
77	D	84.9	Confident	94.6	Very high	172 Å²	172	45 Å²	45	92%	0.92	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	13.6	173.5	-50.4	-46.3	0	0	0	116.6
78	E	89.4	Confident	94.6	Very high	64 Å²	64	43.1 Å²	43.1	30%	0.299	24%	0.235	S	C	.	.			trans	-93.5	169.4	174.1	-80.3	-64.8	168.4	0	0	113.9	L71 Q75 N76 I189	L71-E78 HydrophobicContact CD2-CB 3.89Å; L71-E78 HydrophobicContact CD2-CG 4.27Å; L71-E78 HydrophobicContact CG-CB 3.82Å; L71-E78 HydrophobicContact CG-CG 4.4Å; Q75-E78 HydrophobicContact CB-CB 4.04Å; Q75-E78 HydrophobicContact CB-CG 3.79Å; Q75-E78 HydrophobicContact CG-CB 4.23Å; Q75-E78 HydrophobicContact CG-CG 3.46Å; Q75-E78 VanDerWaalsContact CG-CG 3.46Å; N76-E78 PolarHBondContact O-N 3.47Å; E78-I189 HydrophobicContact CG-CG2 4.27Å
79	V	92.1	Very high	94.5	Very high	50 Å²	50	40.4 Å²	40.4	30%	0.303	22%	0.223	S	C	.	.			trans	-69.3	131.2	-176.6	-64.8	0	0	0	0	113.7	L71 F81 R82	L71-V79 HydrophobicContact CD2-CG2 4.21Å; V79-F81 VanDerWaalsContact C-N 3.32Å; V79-F81 HydrophobicContact CB-CD1 3.75Å; V79-F81 HydrophobicContact CB-CE1 3.44Å; V79-F81 VanDerWaalsContact CB-CE1 3.44Å; V79-F81 HydrophobicContact CB-CG 4.43Å; V79-F81 HydrophobicContact CB-CZ 3.88Å; V79-F81 HydrophobicContact CG1-CD1 4.29Å; V79-F81 HydrophobicContact CG1-CE1 3.55Å; V79-F81 HydrophobicContact CG1-CZ 4Å; V79-F81 HydrophobicContact CG2-CD1 4.27Å; V79-F81 HydrophobicContact CG2-CD2 4.47Å; V79-F81 HydrophobicContact CG2-CE1 3.84Å; V79-F81 HydrophobicContact CG2-CE2 4.06Å; V79-F81 HydrophobicContact CG2-CZ 3.72Å; V79-F81 PolarHBondContact O-N 2.64Å; V79-R82 HydrophobicContact CG2-CG 3.93Å
80	A	95.1	Very high	94.4	Very high	61 Å²	61	40.8 Å²	40.8	50%	0.504	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.6	178.6	0	0	0	0	0	114.9	S70 A72 R82	S70-A80 PolarHBondContact OG-O 3.35Å; A72-A80 HydrophobicContact CB-CB 4.04Å; A80-R82 VanDerWaalsContact C-N 3.27Å; A80-R82 PolarHBondContact O-N 3.02Å
81	F	95.8	Very high	94.3	Very high	37 Å²	37	40.9 Å²	40.9	16%	0.162	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.3	-174.4	64	-105.9	0	0	0	114.1	V79 L105 T106 K109 Y211	V79-F81 VanDerWaalsContact C-N 3.32Å; V79-F81 HydrophobicContact CB-CD1 3.75Å; V79-F81 HydrophobicContact CB-CE1 3.44Å; V79-F81 VanDerWaalsContact CB-CE1 3.44Å; V79-F81 HydrophobicContact CB-CG 4.43Å; V79-F81 HydrophobicContact CB-CZ 3.88Å; V79-F81 HydrophobicContact CG1-CD1 4.29Å; V79-F81 HydrophobicContact CG1-CE1 3.55Å; V79-F81 HydrophobicContact CG1-CZ 4Å; V79-F81 HydrophobicContact CG2-CD1 4.27Å; V79-F81 HydrophobicContact CG2-CD2 4.47Å; V79-F81 HydrophobicContact CG2-CE1 3.84Å; V79-F81 HydrophobicContact CG2-CE2 4.06Å; V79-F81 HydrophobicContact CG2-CZ 3.72Å; V79-F81 PolarHBondContact O-N 2.64Å; F81-L105 HydrophobicContact CD2-CD2 3.81Å; F81-L105 HydrophobicContact CE2-CD2 4.01Å; F81-L105 CarbonylContact O-C 3.54Å; F81-L105 WeakPolarHBondContact O-CA 3.4Å; F81-T106 WeakPolarHBondContact CB-OG1 3.49Å; F81-T106 WeakPolarHBondContact O-CG2 3.43Å; F81-T106 PolarHBondContact O-N 3.48Å; F81-K109 HydrophobicContact CB-CB 3.7Å; F81-K109 HydrophobicContact CB-CG 3.87Å; F81-K109 HydrophobicContact CD1-CD 4.33Å; F81-K109 HydrophobicContact CD1-CG 4.37Å; F81-K109 HydrophobicContact CD2-CG 3.85Å; F81-K109 HydrophobicContact CE2-CG 4.48Å; F81-K109 HydrophobicContact CG-CB 4.2Å; F81-K109 HydrophobicContact CG-CD 4.24Å; F81-K109 HydrophobicContact CG-CG 3.78Å; F81-Y211 HydrophobicContact CE2-CD1 4.29Å; F81-Y211 AromaticContact CE2-CE1 3.99Å; F81-Y211 HydrophobicContact CE2-CE1 3.99Å; F81-Y211 AromaticContact CZ-CE1 3.81Å; F81-Y211 HydrophobicContact CZ-CE1 3.81Å
82	R	96.1	Very high	94.2	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.019	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.9	173.5	-67.8	177.7	-170.4	-108	-25.7	109.4	L71 V79 A80 F84 L105 L188 D191	L71-R82 HydrophobicContact CB-CB 3.95Å; L71-R82 HydrophobicContact CD2-CB 4.19Å; L71-R82 PolarHBondContact N-O 2.87Å; V79-R82 HydrophobicContact CG2-CG 3.93Å; A80-R82 VanDerWaalsContact C-N 3.27Å; A80-R82 PolarHBondContact O-N 3.02Å; R82-F84 HydrophobicContact CB-CE2 4.34Å; R82-L105 HydrophobicContact CG-CD2 4.01Å; R82-L188 PolarHBondContact NH1-O 2.64Å; R82-D191 VanDerWaalsContact CZ-CG 3.42Å; R82-D191 IonicContact CZ-OD1 2.98Å; R82-D191 IonicContact CZ-OD2 2.69Å; R82-D191 IonicContact NH1-OD1 3.5Å; R82-D191 PolarHBondContact NH1-OD1 3.35Å; R82-D191 IonicContact NH1-OD2 2.67Å; R82-D191 IonicContact NH2-OD1 2.81Å; R82-D191 IonicContact NH2-OD2 3.5Å; R82-D191 PolarHBondContact NH2-OD2 3.1Å
83	K	97	Very high	94.1	Very high	54 Å²	54	45.8 Å²	45.8	24%	0.235	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.7	175.7	-60.4	178.4	-69.6	164	0	110.3	E68 V69 M103 D104 T106	E68-K83 HydrophobicContact CG-CB 4.02Å; E68-K83 HydrophobicContact CG-CD 4.34Å; E68-K83 WeakPolarHBondContact OE1-CD 3.23Å; E68-K83 WeakPolarHBondContact OE1-CE 3.35Å; E68-K83 IonicContact OE1-NZ 2.67Å; E68-K83 PolarHBondContact OE1-NZ 3.34Å; V69-K83 CarbonylContact O-C 3.58Å; V69-K83 VanDerWaalsContact O-CA 3.28Å; V69-K83 WeakPolarHBondContact O-CA 3.31Å; K83-M103 CarbonylContact O-C 3.53Å; K83-M103 VanDerWaalsContact O-CA 3.32Å; K83-M103 WeakPolarHBondContact O-CA 3.41Å; K83-D104 PolarHBondContact N-O 3.29Å; K83-D104 PolarHBondContact O-N 3Å; K83-T106 HydrophobicContact CD-CG2 3.77Å; K83-T106 HydrophobicContact CG-CG2 3.86Å
84	F	97.1	Very high	94	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137	178	-76.2	-95.9	0	0	0	110.1	F39 E68 V69 L71 L74 R82 F100 M103 V185 I189	F39-F84 HydrophobicContact CE1-CD1 4.37Å; F39-F84 HydrophobicContact CE1-CD2 4.45Å; F39-F84 HydrophobicContact CE1-CE1 4.46Å; F39-F84 HydrophobicContact CE1-CG 4.37Å; F39-F84 AromaticContact CZ-CD1 3.88Å; F39-F84 HydrophobicContact CZ-CD1 3.88Å; F39-F84 HydrophobicContact CZ-CE1 4.24Å; F39-F84 HydrophobicContact CZ-CG 4.1Å; E68-F84 WeakPolarHBondContact CA-O 3.14Å; V69-F84 PolarHBondContact N-O 3.05Å; V69-F84 PolarHBondContact O-N 3.37Å; L71-F84 HydrophobicContact CB-CD2 4.14Å; L71-F84 HydrophobicContact CB-CE2 3.98Å; L71-F84 HydrophobicContact CD1-CD2 4.2Å; L71-F84 HydrophobicContact CD1-CE2 3.73Å; L71-F84 HydrophobicContact CD2-CE2 4.22Å; L71-F84 HydrophobicContact CG-CE2 4.18Å; L74-F84 HydrophobicContact CD1-CB 4Å; L74-F84 HydrophobicContact CD1-CD2 4.44Å; L74-F84 HydrophobicContact CD1-CG 4.4Å; R82-F84 HydrophobicContact CB-CE2 4.34Å; F84-F100 AromaticContact CD1-CD2 3.83Å; F84-F100 HydrophobicContact CD1-CD2 3.83Å; F84-F100 AromaticContact CD1-CE2 3.56Å; F84-F100 HydrophobicContact CD1-CE2 3.56Å; F84-F100 HydrophobicContact CE1-CD2 4.28Å; F84-F100 AromaticContact CE1-CE2 3.79Å; F84-F100 HydrophobicContact CE1-CE2 3.79Å; F84-M103 HydrophobicContact CD1-CB 4.38Å; F84-M103 HydrophobicContact CD1-CG 4.43Å; F84-M103 HydrophobicContact CE1-CB 4.31Å; F84-M103 HydrophobicContact CE1-CG 4.15Å; F84-M103 HydrophobicContact CE2-CG 4.33Å; F84-M103 HydrophobicContact CZ-CG 4.1Å; F84-V185 HydrophobicContact CE1-CG1 4.3Å; F84-I189 HydrophobicContact CZ-CG1 4.35Å
85	K	97.6	Very high	94.1	Very high	56 Å²	56	50.3 Å²	50.3	24%	0.243	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.2	170.5	-68.6	-179.7	-174.7	-71.9	0	107.9	V66 F67 E68 H101 G102	V66-K85 HydrophobicContact CG1-CB 3.82Å; V66-K85 HydrophobicContact CG1-CD 4.5Å; V66-K85 HydrophobicContact CG1-CG 4.26Å; F67-K85 CarbonylContact O-C 3.56Å; F67-K85 WeakPolarHBondContact O-CA 3.42Å; E68-K85 HydrophobicContact CG-CG 4.46Å; E68-K85 IonicContact OE2-NZ 3.43Å; E68-K85 PolarHBondContact OE2-NZ 3.21Å; K85-H101 HydrophobicContact CB-CB 4.16Å; K85-H101 WeakPolarHBondContact O-CA 3.33Å; K85-H101 WeakPolarHBondContact O-CB 3.29Å; K85-H101 PolarHBondContact O-N 3.46Å; K85-G102 PolarHBondContact N-O 3.06Å; K85-G102 PolarHBondContact O-N 3.36Å
86	L	97.1	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.8	179.4	-62.4	177.9	0	0	0	109	A35 F39 I44 V66 F67 L74 N99	A35-L86 HydrophobicContact CB-CD1 4.22Å; F39-L86 HydrophobicContact CE2-CD2 4.07Å; I44-L86 HydrophobicContact CD1-CD1 3.48Å; I44-L86 VanDerWaalsContact CD1-CD1 3.48Å; V66-L86 CarbonylContact C-O 3.59Å; V66-L86 WeakPolarHBondContact CA-O 3.38Å; F67-L86 PolarHBondContact N-O 3.36Å; F67-L86 PolarHBondContact O-N 3.29Å; L74-L86 HydrophobicContact CD1-CD1 4.28Å; L74-L86 HydrophobicContact CD2-CD1 4.25Å; L86-N99 CarbonylContact C-O 3.49Å; L86-N99 VanDerWaalsContact CA-O 3.32Å; L86-N99 WeakPolarHBondContact CA-O 3.31Å
87	V	96.9	Very high	94.7	Very high	10 Å²	10	44.1 Å²	44.1	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.1	-177.7	60.3	0	0	0	0	110.7	R65 V66 E89 T98 N99 H101	R65-V87 CarbonylContact O-C 3.5Å; R65-V87 WeakPolarHBondContact O-CA 3.27Å; V66-V87 HydrophobicContact CG2-CB 4.09Å; V66-V87 HydrophobicContact CG2-CG2 3.99Å; V87-E89 HydrophobicContact CG1-CG 4.32Å; V87-E89 PolarHBondContact O-N 3.02Å; V87-T98 CarbonylContact O-C 3.51Å; V87-T98 WeakPolarHBondContact O-CA 3.5Å; V87-N99 PolarHBondContact N-O 3.46Å; V87-N99 PolarHBondContact O-N 2.83Å; V87-H101 HydrophobicContact CB-CB 4.04Å; V87-H101 HydrophobicContact CG1-CB 3.81Å
88	T	96.6	Very high	95.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.9	175.6	-53	0	0	0	0	109.8	L62 G64 R65 F67 V91 C96 L97	L62-T88 WeakPolarHBondContact O-CB 3.39Å; G64-T88 PolarHBondContact N-O 3.41Å; R65-T88 PolarHBondContact O-N 2.96Å; F67-T88 VanDerWaalsContact CE2-OG1 3.3Å; F67-T88 WeakPolarHBondContact CE2-OG1 3.42Å; T88-V91 HydrophobicContact CG2-CG2 4.31Å; T88-C96 HydrophobicContact CG2-CB 3.74Å; T88-L97 WeakPolarHBondContact CA-O 3.5Å
89	E	95.3	Very high	95.5	Very high	31 Å²	31	32.9 Å²	32.9	15%	0.145	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-35.3	177.9	-64.3	-168.1	156.9	0	0	111.5	K63 V87 L97 N99 K220 F223 L228	K63-E89 WeakPolarHBondContact CD-O 3.4Å; V87-E89 HydrophobicContact CG1-CG 4.32Å; V87-E89 PolarHBondContact O-N 3.02Å; E89-L97 PolarHBondContact N-O 3.02Å; E89-N99 HydrophobicContact CG-CB 3.92Å; E89-N99 PolarHBondContact OE1-ND2 3.04Å; E89-N99 WeakPolarHBondContact OE2-CB 3.03Å; E89-N99 PolarHBondContact OE2-ND2 3.02Å; E89-K220 IonicContact OE1-NZ 3.23Å; E89-K220 PolarHBondContact OE1-NZ 2.81Å; E89-F223 HydrophobicContact CB-CD2 4.28Å; E89-F223 HydrophobicContact CB-CE2 3.76Å; E89-L228 HydrophobicContact CB-CD2 4.01Å
90	D	95.5	Very high	95.7	Very high	22 Å²	22	30.5 Å²	30.5	12%	0.118	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.4	179.1	-160.6	37.8	0	0	0	113.7	K63 L97 F223 L225 L228	K63-D90 WeakPolarHBondContact CE-OD1 3.27Å; K63-D90 IonicContact NZ-OD1 2.73Å; K63-D90 PolarHBondContact NZ-OD1 3.35Å; D90-L97 PolarHBondContact N-O 3.17Å; D90-L97 PolarHBondContact O-N 3.44Å; D90-F223 HydrophobicContact CB-CZ 4.23Å; D90-L225 HydrophobicContact CB-CD1 4.24Å; D90-L225 VanDerWaalsContact OD2-CD1 3.3Å; D90-L225 WeakPolarHBondContact OD2-CD1 3.19Å; D90-L228 HydrophobicContact CB-CD2 3.61Å
91	V	95	Very high	95.8	Very high	26 Å²	26	30.5 Å²	30.5	16%	0.158	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	113.8	178.9	-176.7	0	0	0	0	108.7	Y31 L62 K63 T88 N95	Y31-V91 HydrophobicContact CD1-CG1 3.95Å; Y31-V91 HydrophobicContact CE1-CG1 3.85Å; L62-V91 HydrophobicContact CB-CG2 3.85Å; L62-V91 HydrophobicContact CD1-CG1 4.19Å; L62-V91 HydrophobicContact CD1-CG2 4.12Å; K63-V91 HydrophobicContact CG-CG2 4.26Å; T88-V91 HydrophobicContact CG2-CG2 4.31Å; V91-N95 CarbonylContact C-O 3.51Å; V91-N95 WeakPolarHBondContact CA-O 3.37Å
92	Q	92.9	Very high	95.9	Very high	72 Å²	72	28.8 Å²	28.8	34%	0.336	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	103.7	176.7	-70.2	-164.2	-25.1	0	0	110.5	K94 N95 L97 M229	Q92-K94 PolarHBondContact O-N 2.9Å; Q92-N95 PolarHBondContact N-O 3.42Å; Q92-N95 WeakPolarHBondContact O-CB 3.44Å; Q92-N95 PolarHBondContact O-N 3.25Å; Q92-L97 HydrophobicContact CG-CD1 4.01Å; Q92-M229 HydrophobicContact CG-CE 4.39Å; Q92-M229 PolarHBondContact NE2-SD 3.4Å
93	G	91.8	Very high	95.9	Very high	67 Å²	67	28.7 Å²	28.7	69%	0.691	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	-113.1	-175.1	0	0	0	0	0	110.7	Y31	Y31-G93 VanDerWaalsContact CE1-O 3.28Å; Y31-G93 WeakPolarHBondContact CE1-O 3.47Å
94	K	93.8	Very high	95.9	Very high	149 Å²	149	27.6 Å²	27.6	65%	0.648	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	0.9	175.5	-68.7	-168.6	177.8	-177.2	0	114.3	Y31 D32 Q92	Y31-K94 CarbonylContact C-O 3.4Å; Y31-K94 VanDerWaalsContact CA-O 3.29Å; Y31-K94 WeakPolarHBondContact CA-O 3.41Å; Y31-K94 WeakPolarHBondContact CB-O 3.18Å; D32-K94 PolarHBondContact N-O 3.02Å; Q92-K94 PolarHBondContact O-N 2.9Å
95	N	95.5	Very high	95.9	Very high	48 Å²	48	28 Å²	28	26%	0.257	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.3	-178.7	-64	-29.3	0	0	0	110.9	D32 K34 V91 Q92	D32-N95 CarbonylContact O-C 3.48Å; D32-N95 WeakPolarHBondContact O-CA 3.37Å; K34-N95 HydrophobicContact CG-CB 4.26Å; V91-N95 CarbonylContact C-O 3.51Å; V91-N95 WeakPolarHBondContact CA-O 3.37Å; Q92-N95 PolarHBondContact N-O 3.42Å; Q92-N95 WeakPolarHBondContact O-CB 3.44Å; Q92-N95 PolarHBondContact O-N 3.25Å
96	C	96.1	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	113.3	169.4	-66.4	0	0	0	0	108.7	D32 V33 K34 T88	D32-C96 PolarHBondContact O-N 3.3Å; V33-C96 HydrophobicContact CG2-CB 4.46Å; K34-C96 PolarHBondContact N-O 3.03Å; T88-C96 HydrophobicContact CG2-CB 3.74Å
97	L	96.4	Very high	95.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	126.6	177.1	-59	-177.1	0	0	0	109.5	K34 T88 E89 D90 Q92 L228 M229	K34-L97 HydrophobicContact CB-CD2 4.24Å; T88-L97 WeakPolarHBondContact CA-O 3.5Å; E89-L97 PolarHBondContact N-O 3.02Å; D90-L97 PolarHBondContact N-O 3.17Å; D90-L97 PolarHBondContact O-N 3.44Å; Q92-L97 HydrophobicContact CG-CD1 4.01Å; L97-L228 HydrophobicContact CB-CD2 3.98Å; L97-L228 HydrophobicContact CB-CG 4.47Å; L97-L228 HydrophobicContact CD1-CD2 4.31Å; L97-M229 HydrophobicContact CD1-CE 3.45Å; L97-M229 VanDerWaalsContact CD1-CE 3.45Å; L97-M229 HydrophobicContact CD1-SD 3.82Å
98	T	96.6	Very high	95.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	148.5	-175.1	66.4	0	0	0	0	112	V33 K34 P36 F67 V87 H232	V33-T98 HydrophobicContact CG1-CG2 3.45Å; V33-T98 VanDerWaalsContact CG1-CG2 3.45Å; K34-T98 WeakPolarHBondContact O-CB 3.4Å; K34-T98 PolarHBondContact O-N 3.34Å; K34-T98 PolarHBondContact O-OG1 2.7Å; P36-T98 WeakPolarHBondContact CD-O 3.44Å; P36-T98 VanDerWaalsContact CG-O 3.25Å; P36-T98 WeakPolarHBondContact CG-O 3.36Å; F67-T98 HydrophobicContact CD2-CG2 4.24Å; F67-T98 HydrophobicContact CE2-CG2 4.46Å; V87-T98 CarbonylContact O-C 3.51Å; V87-T98 WeakPolarHBondContact O-CA 3.5Å; T98-H232 PolarHBondContact N-NE2 3.16Å; T98-H232 PolarHBondContact O-NE2 3.22Å
99	N	96.1	Very high	95.9	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	159.9	175	-163.4	-4.5	0	0	0	110.3	L86 V87 E89 H101 Y133 L228	L86-N99 CarbonylContact C-O 3.49Å; L86-N99 VanDerWaalsContact CA-O 3.32Å; L86-N99 WeakPolarHBondContact CA-O 3.31Å; V87-N99 PolarHBondContact N-O 3.46Å; V87-N99 PolarHBondContact O-N 2.83Å; E89-N99 HydrophobicContact CG-CB 3.92Å; E89-N99 PolarHBondContact OE1-ND2 3.04Å; E89-N99 WeakPolarHBondContact OE2-CB 3.03Å; E89-N99 PolarHBondContact OE2-ND2 3.02Å; N99-H101 PolarHBondContact O-N 3.41Å; N99-Y133 PolarHBondContact ND2-OH 2.99Å; N99-L228 HydrophobicContact CB-CD1 4.15Å
100	F	96.5	Very high	95.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131.8	174.5	177.4	-97	0	0	0	111.2	F84 G102 M103 L181 V185 L188 V215 M217	F84-F100 AromaticContact CD1-CD2 3.83Å; F84-F100 HydrophobicContact CD1-CD2 3.83Å; F84-F100 AromaticContact CD1-CE2 3.56Å; F84-F100 HydrophobicContact CD1-CE2 3.56Å; F84-F100 HydrophobicContact CE1-CD2 4.28Å; F84-F100 AromaticContact CE1-CE2 3.79Å; F84-F100 HydrophobicContact CE1-CE2 3.79Å; F100-G102 VanDerWaalsContact CE2-O 3.3Å; F100-G102 WeakPolarHBondContact CE2-O 3.31Å; F100-M103 HydrophobicContact CE2-CB 4.18Å; F100-M103 HydrophobicContact CZ-CB 4.26Å; F100-L181 HydrophobicContact CB-CD2 4.34Å; F100-L181 HydrophobicContact CD1-CD1 3.87Å; F100-L181 HydrophobicContact CD1-CD2 4.43Å; F100-L181 HydrophobicContact CD1-CG 4.37Å; F100-L181 HydrophobicContact CE1-CD1 4.35Å; F100-V185 HydrophobicContact CB-CG2 4.01Å; F100-V185 HydrophobicContact CD1-CG2 3.94Å; F100-V185 HydrophobicContact CD2-CG2 3.71Å; F100-V185 HydrophobicContact CE1-CG2 4.31Å; F100-V185 HydrophobicContact CE2-CG2 4.11Å; F100-V185 HydrophobicContact CG-CG2 3.61Å; F100-V185 HydrophobicContact CZ-CG2 4.38Å; F100-L188 HydrophobicContact CZ-CD1 4.37Å; F100-V215 HydrophobicContact CE1-CG1 4.12Å; F100-V215 HydrophobicContact CZ-CB 4.3Å; F100-V215 HydrophobicContact CZ-CG1 4.03Å; F100-M217 HydrophobicContact CD1-CE 3.97Å; F100-M217 HydrophobicContact CE1-CE 4.47Å; F100-M217 WeakPolarHBondContact O-CE 3.45Å
101	H	96.8	Very high	95.9	Very high	60 Å²	60	45.4 Å²	45.4	28%	0.278	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-25.2	178.5	-175.2	-92.1	0	0	0	112.8	K85 V87 N99 M217	K85-H101 HydrophobicContact CB-CB 4.16Å; K85-H101 WeakPolarHBondContact O-CA 3.33Å; K85-H101 WeakPolarHBondContact O-CB 3.29Å; K85-H101 PolarHBondContact O-N 3.46Å; V87-H101 HydrophobicContact CB-CB 4.04Å; V87-H101 HydrophobicContact CG1-CB 3.81Å; N99-H101 PolarHBondContact O-N 3.41Å; H101-M217 WeakPolarHBondContact O-CB 3.32Å; H101-M217 PolarHBondContact O-N 2.67Å
102	G	96.7	Very high	96	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	176.6	178	0	0	0	0	0	112.7	K85 F100 V215	K85-G102 PolarHBondContact N-O 3.06Å; K85-G102 PolarHBondContact O-N 3.36Å; F100-G102 VanDerWaalsContact CE2-O 3.3Å; F100-G102 WeakPolarHBondContact CE2-O 3.31Å; G102-V215 WeakPolarHBondContact CA-O 3.4Å
103	M	97.5	Very high	96.2	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145.2	179.3	-178	-111.9	-84.1	0	0	109.2	K83 F84 F100 L188 V212 K214 V215	K83-M103 CarbonylContact O-C 3.53Å; K83-M103 VanDerWaalsContact O-CA 3.32Å; K83-M103 WeakPolarHBondContact O-CA 3.41Å; F84-M103 HydrophobicContact CD1-CB 4.38Å; F84-M103 HydrophobicContact CD1-CG 4.43Å; F84-M103 HydrophobicContact CE1-CB 4.31Å; F84-M103 HydrophobicContact CE1-CG 4.15Å; F84-M103 HydrophobicContact CE2-CG 4.33Å; F84-M103 HydrophobicContact CZ-CG 4.1Å; F100-M103 HydrophobicContact CE2-CB 4.18Å; F100-M103 HydrophobicContact CZ-CB 4.26Å; M103-L188 HydrophobicContact CE-CB 3.7Å; M103-L188 HydrophobicContact CE-CD1 4.11Å; M103-L188 HydrophobicContact CE-CD2 3.67Å; M103-L188 HydrophobicContact CE-CG 4.01Å; M103-V212 HydrophobicContact CE-CB 4.49Å; M103-V212 HydrophobicContact CE-CG1 4.42Å; M103-K214 CarbonylContact O-C 3.54Å; M103-K214 VanDerWaalsContact O-CA 3.32Å; M103-K214 WeakPolarHBondContact O-CA 3.47Å; M103-K214 WeakPolarHBondContact O-CG 3.11Å; M103-V215 HydrophobicContact CB-CB 4.17Å; M103-V215 HydrophobicContact CB-CG2 4.33Å; M103-V215 HydrophobicContact CE-CG2 4.36Å; M103-V215 PolarHBondContact N-O 3.21Å; M103-V215 PolarHBondContact O-N 2.79Å
104	D	97.3	Very high	96.4	Very high	32 Å²	32	44.1 Å²	44.1	17%	0.171	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	149.2	175.6	-145.7	-9.6	0	0	0	109.4	K83 K214	K83-D104 PolarHBondContact N-O 3.29Å; K83-D104 PolarHBondContact O-N 3Å; D104-K214 IonicContact OD1-NZ 3.8Å; D104-K214 WeakPolarHBondContact OD2-CE 3.32Å; D104-K214 IonicContact OD2-NZ 2.76Å; D104-K214 PolarHBondContact OD2-NZ 2.9Å
105	L	96.6	Very high	96.5	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	154.9	167.5	-60.7	178.6	0	0	0	110.5	F81 R82 M113 Y211 R213	F81-L105 HydrophobicContact CD2-CD2 3.81Å; F81-L105 HydrophobicContact CE2-CD2 4.01Å; F81-L105 CarbonylContact O-C 3.54Å; F81-L105 WeakPolarHBondContact O-CA 3.4Å; R82-L105 HydrophobicContact CG-CD2 4.01Å; L105-M113 HydrophobicContact CD1-CE 4.07Å; L105-Y211 HydrophobicContact CD1-CG 4.47Å; L105-R213 HydrophobicContact CD1-CB 4.42Å; L105-R213 HydrophobicContact CD1-CG 4.49Å; L105-R213 PolarHBondContact N-O 2.85Å; L105-R213 VanDerWaalsContact N-O 3.14Å
106	T	97.5	Very high	96.6	Very high	20 Å²	20	49.5 Å²	49.5	12%	0.123	24%	0.243	C	C	.	.			trans	-66.8	149	169	63.6	0	0	0	0	110.8	F81 K83 D108 K109 M110	F81-T106 WeakPolarHBondContact CB-OG1 3.49Å; F81-T106 WeakPolarHBondContact O-CG2 3.43Å; F81-T106 PolarHBondContact O-N 3.48Å; K83-T106 HydrophobicContact CD-CG2 3.77Å; K83-T106 HydrophobicContact CG-CG2 3.86Å; T106-D108 WeakPolarHBondContact CB-OD1 3.47Å; T106-D108 PolarHBondContact O-N 3.26Å; T106-D108 PolarHBondContact OG1-OD1 3.07Å; T106-K109 PolarHBondContact O-N 3.1Å; T106-M110 PolarHBondContact O-N 3.23Å; T106-M110 VanDerWaalsContact O-N 3.1Å
107	R	96.1	Very high	96.6	Very high	211 Å²	211	55 Å²	55	80%	0.796	26%	0.264	S	S	*	.	H	α-helix	trans	-66.9	-40.5	-172.4	-178.1	176.8	176.5	174.5	-1.3	111.7	M110 C111	R107-M110 PolarHBondContact O-N 3.22Å; R107-C111 WeakPolarHBondContact O-CB 3.22Å; R107-C111 PolarHBondContact O-N 2.93Å; R107-C111 PolarHBondContact O-SG 3.47Å
108	D	96.6	Very high	96.7	Very high	113 Å²	113	56.3 Å²	56.3	60%	0.604	27%	0.271	S	S	*	.	H	α-helix	trans	-57.1	-48.4	174.5	61	-47.5	0	0	0	111.4	T106 M110 C111 S112	T106-D108 WeakPolarHBondContact CB-OD1 3.47Å; T106-D108 PolarHBondContact O-N 3.26Å; T106-D108 PolarHBondContact OG1-OD1 3.07Å; D108-M110 PolarHBondContact O-N 3.25Å; D108-C111 PolarHBondContact O-N 3.16Å; D108-S112 WeakPolarHBondContact O-CB 3.47Å; D108-S112 PolarHBondContact O-N 2.74Å
109	K	96.5	Very high	96.7	Very high	43 Å²	43	57.6 Å²	57.6	19%	0.187	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-47.5	177.5	-179	61.7	179	173.4	0	111.3	F81 T106 C111 S112 M113 D209	F81-K109 HydrophobicContact CB-CB 3.7Å; F81-K109 HydrophobicContact CB-CG 3.87Å; F81-K109 HydrophobicContact CD1-CD 4.33Å; F81-K109 HydrophobicContact CD1-CG 4.37Å; F81-K109 HydrophobicContact CD2-CG 3.85Å; F81-K109 HydrophobicContact CE2-CG 4.48Å; F81-K109 HydrophobicContact CG-CB 4.2Å; F81-K109 HydrophobicContact CG-CD 4.24Å; F81-K109 HydrophobicContact CG-CG 3.78Å; T106-K109 PolarHBondContact O-N 3.1Å; K109-C111 PolarHBondContact O-N 3.48Å; K109-S112 PolarHBondContact O-N 3.31Å; K109-S112 PolarHBondContact O-OG 2.97Å; K109-M113 HydrophobicContact CG-CE 4.33Å; K109-M113 WeakPolarHBondContact O-CG 3.48Å; K109-M113 PolarHBondContact O-N 2.83Å; K109-D209 IonicContact NZ-OD1 2.71Å
110	M	95.9	Very high	96.8	Very high	21 Å²	21	60.7 Å²	60.7	10%	0.103	29%	0.294	C	S	.	.	H	α-helix	trans	-57.2	-49.5	176.3	-175.8	66.6	-159.9	0	0	111.7	T106 R107 D108 S112 M113 V114 M120 V140 R213	T106-M110 PolarHBondContact O-N 3.23Å; T106-M110 VanDerWaalsContact O-N 3.1Å; R107-M110 PolarHBondContact O-N 3.22Å; D108-M110 PolarHBondContact O-N 3.25Å; M110-S112 VanDerWaalsContact C-N 3.29Å; M110-S112 PolarHBondContact O-N 3.11Å; M110-M113 PolarHBondContact O-N 3.11Å; M110-M113 HydrophobicContact SD-CE 4.03Å; M110-V114 HydrophobicContact CE-CG2 4.21Å; M110-V114 WeakPolarHBondContact O-CG2 3.43Å; M110-M120 HydrophobicContact CE-CE 4.4Å; M110-V140 HydrophobicContact CE-CG2 4.3Å; M110-V140 HydrophobicContact SD-CG1 4.47Å; M110-R213 VanDerWaalsContact CE-NH1 3.3Å; M110-R213 HydrophobicContact SD-CG 4.18Å
111	C	96.1	Very high	96.9	Very high	78 Å²	78	60.7 Å²	60.7	53%	0.527	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-34.2	179.5	-72.4	0	0	0	0	112.6	R107 D108 K109 M113 V114	R107-C111 WeakPolarHBondContact O-CB 3.22Å; R107-C111 PolarHBondContact O-N 2.93Å; R107-C111 PolarHBondContact O-SG 3.47Å; D108-C111 PolarHBondContact O-N 3.16Å; K109-C111 PolarHBondContact O-N 3.48Å; C111-M113 VanDerWaalsContact C-N 3.34Å; C111-M113 PolarHBondContact O-N 3.22Å; C111-V114 PolarHBondContact O-N 3.46Å
112	S	96.9	Very high	97	Very high	63 Å²	63	61.7 Å²	61.7	44%	0.441	30%	0.298	S	S	.	.	H	α-helix	trans	-67.7	-30	-179.6	76.7	0	0	0	0	114	D108 K109 M110 K115	D108-S112 WeakPolarHBondContact O-CB 3.47Å; D108-S112 PolarHBondContact O-N 2.74Å; K109-S112 PolarHBondContact O-N 3.31Å; K109-S112 PolarHBondContact O-OG 2.97Å; M110-S112 VanDerWaalsContact C-N 3.29Å; M110-S112 PolarHBondContact O-N 3.11Å; S112-K115 VanDerWaalsContact O-CE 3.25Å; S112-K115 WeakPolarHBondContact O-CE 3.31Å
113	M	96.4	Very high	97	Very high	2 Å²	2	62 Å²	62	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-78.6	-26.5	-179.1	-63.6	-178	-67	0	0	112.1	L105 K109 M110 C111 K115 Q118 F142 D209 Y211	L105-M113 HydrophobicContact CD1-CE 4.07Å; K109-M113 HydrophobicContact CG-CE 4.33Å; K109-M113 WeakPolarHBondContact O-CG 3.48Å; K109-M113 PolarHBondContact O-N 2.83Å; M110-M113 PolarHBondContact O-N 3.11Å; M110-M113 HydrophobicContact SD-CE 4.03Å; C111-M113 VanDerWaalsContact C-N 3.34Å; C111-M113 PolarHBondContact O-N 3.22Å; M113-K115 PolarHBondContact O-N 3.32Å; M113-Q118 PolarHBondContact O-NE2 2.8Å; M113-F142 HydrophobicContact CB-CD2 4.14Å; M113-F142 HydrophobicContact CB-CE2 3.47Å; M113-F142 VanDerWaalsContact CB-CE2 3.47Å; M113-F142 HydrophobicContact CB-CZ 3.82Å; M113-F142 HydrophobicContact CG-CE2 4.44Å; M113-F142 HydrophobicContact SD-CE2 4.34Å; M113-D209 HydrophobicContact CG-CB 4.21Å; M113-D209 HydrophobicContact SD-CB 3.85Å; M113-Y211 HydrophobicContact CE-CD2 4.05Å; M113-Y211 HydrophobicContact SD-CD2 3.4Å; M113-Y211 WeakPolarHBondContact SD-CD2 3.29Å; M113-Y211 HydrophobicContact SD-CE2 3.38Å; M113-Y211 WeakPolarHBondContact SD-CE2 3.2Å
114	V	96.3	Very high	97	Very high	74 Å²	74	67.1 Å²	67.1	45%	0.448	32%	0.324	S	S	.	.			trans	-76.4	95.9	179.9	-172.5	0	0	0	0	110.3	M110 C111 M120 F142	M110-V114 HydrophobicContact CE-CG2 4.21Å; M110-V114 WeakPolarHBondContact O-CG2 3.43Å; C111-V114 PolarHBondContact O-N 3.46Å; V114-M120 HydrophobicContact CB-CE 4.11Å; V114-M120 HydrophobicContact CG1-CE 3.73Å; V114-M120 HydrophobicContact CG2-CE 3.33Å; V114-F142 HydrophobicContact CG2-CE1 4.34Å; V114-F142 HydrophobicContact CG2-CZ 4.1Å
115	K	96.4	Very high	97	Very high	130 Å²	130	66.6 Å²	66.6	57%	0.565	32%	0.322	S	S	*	.			trans	-115.2	158	176.7	-62.3	172.4	-175.1	170.4	0	111.4	S112 M113 Q118	S112-K115 VanDerWaalsContact O-CE 3.25Å; S112-K115 WeakPolarHBondContact O-CE 3.31Å; M113-K115 PolarHBondContact O-N 3.32Å; K115-Q118 WeakPolarHBondContact O-CG 3.25Å
116	K	97	Very high	97.1	Very high	179 Å²	179	69.9 Å²	69.9	78%	0.778	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	163.3	171.2	-68	-176	177.2	-179.9	0	110.6	Q118	K116-Q118 VanDerWaalsContact C-N 3.29Å; K116-Q118 PolarHBondContact O-N 3.02Å
117	W	97	Very high	97.1	Very high	115 Å²	115	69 Å²	69	44%	0.436	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	15.3	173.4	-41.6	110.5	0	0	0	116.2	K152 T153 S154 Y155	W117-K152 HydrophobicContact CD2-CD 4.41Å; W117-K152 HydrophobicContact CD2-CG 4.48Å; W117-K152 HydrophobicContact CG-CG 4.28Å; W117-T153 HydrophobicContact CB-CG2 4.36Å; W117-T153 HydrophobicContact CD2-CG2 4.25Å; W117-T153 HydrophobicContact CE3-CG2 3.4Å; W117-T153 VanDerWaalsContact CE3-CG2 3.4Å; W117-T153 HydrophobicContact CZ3-CG2 4.01Å; W117-S154 PolarHBondContact O-N 2.99Å; W117-S154 PolarHBondContact O-OG 2.89Å; W117-Y155 VanDerWaalsContact C-CE1 3.48Å
118	Q	97.6	Very high	97.1	Very high	29 Å²	29	65.2 Å²	65.2	14%	0.136	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-136.2	155.9	172.9	62.2	-174.6	22.2	0	0	109.4	M113 K115 K116 F142 T143 H208	M113-Q118 PolarHBondContact O-NE2 2.8Å; K115-Q118 WeakPolarHBondContact O-CG 3.25Å; K116-Q118 VanDerWaalsContact C-N 3.29Å; K116-Q118 PolarHBondContact O-N 3.02Å; Q118-F142 HydrophobicContact CG-CD1 4.44Å; Q118-F142 VanDerWaalsContact NE2-CD1 3.32Å; Q118-T143 WeakPolarHBondContact CA-OG1 3.37Å; Q118-T143 WeakPolarHBondContact CB-OG1 3.46Å; Q118-H208 PolarHBondContact OE1-CE1 2.82Å; Q118-H208 VanDerWaalsContact OE1-CE1 3.22Å; Q118-H208 PolarHBondContact OE1-NE2 2.84Å
119	T	98.1	Very high	97.1	Very high	27 Å²	27	60 Å²	60	17%	0.166	30%	0.296	C	S	.	.			trans	-89.1	129.6	174	-55.1	0	0	0	0	109.3	I121 T143 Y155 A156 V161	T119-I121 HydrophobicContact CG2-CG1 4.15Å; T119-T143 PolarHBondContact N-OG1 3.11Å; T119-T143 PolarHBondContact O-N 2.83Å; T119-T143 PolarHBondContact O-OG1 2.87Å; T119-Y155 WeakPolarHBondContact OG1-CA 3.36Å; T119-A156 PolarHBondContact OG1-N 2.97Å; T119-A156 VanDerWaalsContact OG1-N 3.16Å; T119-V161 HydrophobicContact CG2-CG2 3.95Å
120	M	98	Very high	97.1	Very high	66 Å²	66	62.3 Å²	62.3	33%	0.325	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130	167.4	178.8	-170.3	-75.4	0	0	109.2	M110 V114 E122 V140 F142	M110-M120 HydrophobicContact CE-CE 4.4Å; V114-M120 HydrophobicContact CB-CE 4.11Å; V114-M120 HydrophobicContact CG1-CE 3.73Å; V114-M120 HydrophobicContact CG2-CE 3.33Å; M120-E122 HydrophobicContact CG-CG 4.08Å; M120-E122 HydrophobicContact SD-CG 4.05Å; M120-V140 HydrophobicContact CG-CG2 4.17Å; M120-F142 HydrophobicContact CB-CD1 4.13Å; M120-F142 HydrophobicContact CB-CE1 3.86Å; M120-F142 HydrophobicContact CE-CE1 3.58Å; M120-F142 HydrophobicContact CE-CZ 3.84Å; M120-F142 HydrophobicContact CG-CD1 4.37Å; M120-F142 HydrophobicContact CG-CE1 3.78Å; M120-F142 HydrophobicContact CG-CZ 4.27Å
121	I	98	Very high	96.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.9	178	-53.4	175.1	0	0	0	108	T119 V140 G141 T143 V161 I164 R165 M168 L207	T119-I121 HydrophobicContact CG2-CG1 4.15Å; I121-V140 CarbonylContact O-C 3.58Å; I121-V140 WeakPolarHBondContact O-CA 3.18Å; I121-G141 PolarHBondContact N-O 3.31Å; I121-G141 PolarHBondContact O-N 2.92Å; I121-T143 HydrophobicContact CD1-CG2 4.45Å; I121-V161 HydrophobicContact CD1-CG2 4.23Å; I121-V161 HydrophobicContact CG1-CG1 4.22Å; I121-V161 HydrophobicContact CG1-CG2 4.31Å; I121-V161 HydrophobicContact CG2-CG1 4.19Å; I121-I164 HydrophobicContact CD1-CB 4.22Å; I121-I164 HydrophobicContact CD1-CD1 3.62Å; I121-I164 HydrophobicContact CD1-CG2 3.92Å; I121-I164 HydrophobicContact CG2-CG2 3.92Å; I121-R165 HydrophobicContact CG2-CG 3.7Å; I121-M168 HydrophobicContact CG2-CE 4.44Å; I121-M168 HydrophobicContact CG2-SD 4.11Å; I121-L207 HydrophobicContact CD1-CD2 4.19Å
122	E	97.7	Very high	96.8	Very high	81 Å²	81	60.5 Å²	60.5	38%	0.379	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.4	176.5	-62.7	-172.7	141.4	0	0	110.4	M120 C139 V140 R165 R213	M120-E122 HydrophobicContact CG-CG 4.08Å; M120-E122 HydrophobicContact SD-CG 4.05Å; E122-C139 WeakPolarHBondContact CA-O 3.5Å; E122-V140 HydrophobicContact CG-CG2 4.09Å; E122-R165 WeakPolarHBondContact O-CD 3.46Å; E122-R165 PolarHBondContact O-NE 3.47Å; E122-R213 IonicContact OE1-NH1 3.63Å; E122-R213 PolarHBondContact OE1-NH1 2.84Å
123	A	97.8	Very high	96.8	Very high	8 Å²	8	58.3 Å²	58.3	7%	0.066	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.9	173.3	0	0	0	0	0	109.9	C139 M168 M169	A123-C139 PolarHBondContact N-O 3.14Å; A123-C139 PolarHBondContact O-N 3.14Å; A123-M168 HydrophobicContact CB-CB 3.82Å; A123-M168 HydrophobicContact CB-SD 4Å; A123-M169 HydrophobicContact CB-CG 4.14Å
124	H	97.8	Very high	96.8	Very high	110 Å²	110	60.9 Å²	60.9	51%	0.509	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.5	171.7	66.8	-85	0	0	0	109.9	L137 F138	H124-L137 CarbonylContact C-O 3.52Å; H124-L137 WeakPolarHBondContact CA-O 3.32Å; H124-F138 HydrophobicContact CB-CD1 3.64Å; H124-F138 HydrophobicContact CB-CE1 3.82Å; H124-F138 HydrophobicContact CB-CG 4.31Å
125	V	97.8	Very high	96.9	Very high	21 Å²	21	57.4 Å²	57.4	13%	0.127	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	144.1	177.9	65.5	0	0	0	0	110.6	V127 R136 L137 M172	V125-V127 HydrophobicContact CB-CG2 4.16Å; V125-V127 HydrophobicContact CG1-CG2 3.66Å; V125-V127 HydrophobicContact CG2-CG2 3.58Å; V125-R136 WeakPolarHBondContact O-CA 3.48Å; V125-L137 HydrophobicContact CG1-CB 4.41Å; V125-L137 PolarHBondContact N-O 3.09Å; V125-L137 PolarHBondContact O-N 3.29Å; V125-M172 HydrophobicContact CG1-CB 3.76Å; V125-M172 HydrophobicContact CG1-CE 3.82Å; V125-M172 HydrophobicContact CG1-SD 4.34Å
126	D	97.9	Very high	97	Very high	77 Å²	77	54.9 Å²	54.9	41%	0.412	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.1	171	-68.9	-20.7	0	0	0	108.7	L135 R136	D126-L135 WeakPolarHBondContact CA-O 3.44Å; D126-R136 VanDerWaalsContact OD1-CB 3.23Å; D126-R136 WeakPolarHBondContact OD1-CB 3.46Å; D126-R136 WeakPolarHBondContact OD1-CD 3.44Å; D126-R136 WeakPolarHBondContact OD1-CG 3.43Å; D126-R136 IonicContact OD1-CZ 2.67Å; D126-R136 IonicContact OD1-NE 2.68Å; D126-R136 PolarHBondContact OD1-NE 3.17Å; D126-R136 IonicContact OD1-NH2 3.73Å; D126-R136 PolarHBondContact OD1-NH2 3.48Å; D126-R136 IonicContact OD2-CZ 2.74Å; D126-R136 IonicContact OD2-NE 3.91Å; D126-R136 IonicContact OD2-NH2 3.67Å; D126-R136 PolarHBondContact OD2-NH2 3Å
127	V	96.9	Very high	97	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138	-173.4	-170.3	0	0	0	0	109.5	V125 L135 T173 V176 Q177	V125-V127 HydrophobicContact CB-CG2 4.16Å; V125-V127 HydrophobicContact CG1-CG2 3.66Å; V125-V127 HydrophobicContact CG2-CG2 3.58Å; V127-L135 PolarHBondContact N-O 3.25Å; V127-L135 PolarHBondContact O-N 3.44Å; V127-T173 HydrophobicContact CG2-CG2 4.44Å; V127-V176 HydrophobicContact CB-CB 4.19Å; V127-V176 HydrophobicContact CB-CG1 3.88Å; V127-V176 HydrophobicContact CG1-CB 3.77Å; V127-V176 HydrophobicContact CG1-CG1 3.65Å; V127-Q177 HydrophobicContact CG1-CB 4.31Å; V127-Q177 HydrophobicContact CG1-CG 3.29Å
128	K	97.1	Very high	97	Very high	130 Å²	130	43.5 Å²	43.5	57%	0.565	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.2	174.2	-167.3	-178	172.6	-172.9	0	109	Y133 L134	K128-Y133 CarbonylContact C-O 3.59Å; K128-Y133 WeakPolarHBondContact CA-O 3.35Å; K128-L134 HydrophobicContact CB-CD1 4.08Å
129	T	96.4	Very high	97	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.031	21%	0.214	C	C	.	.			trans	-77.6	168.1	171.5	55.4	0	0	0	0	110.9	D131 G132 Y133 L135 V176 N179 V184	T129-D131 VanDerWaalsContact C-N 3.32Å; T129-D131 WeakPolarHBondContact CB-OD1 3.4Å; T129-D131 PolarHBondContact O-N 3.41Å; T129-D131 PolarHBondContact OG1-OD1 3.1Å; T129-G132 PolarHBondContact O-N 3.14Å; T129-G132 VanDerWaalsContact O-N 3.14Å; T129-Y133 PolarHBondContact N-O 3.17Å; T129-Y133 WeakPolarHBondContact OG1-CB 3.47Å; T129-Y133 PolarHBondContact OG1-N 3.4Å; T129-Y133 VanDerWaalsContact OG1-N 3.1Å; T129-Y133 PolarHBondContact OG1-O 3.25Å; T129-Y133 VanDerWaalsContact OG1-O 3.12Å; T129-L135 HydrophobicContact CG2-CD1 3.88Å; T129-L135 HydrophobicContact CG2-CG 4.45Å; T129-V176 HydrophobicContact CG2-CG1 3.74Å; T129-N179 WeakPolarHBondContact CB-O 3.46Å; T129-V184 HydrophobicContact CG2-CG2 4.2Å
130	T	96.1	Very high	97	Very high	90 Å²	90	41 Å²	41	55%	0.552	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-37.1	-178.4	56.3	0	0	0	0	113.2	G132 Q177 N179 D180	T130-G132 VanDerWaalsContact C-N 3.27Å; T130-G132 PolarHBondContact O-N 3.05Å; T130-Q177 WeakPolarHBondContact CG2-O 3.49Å; T130-N179 PolarHBondContact N-O 2.79Å; T130-N179 PolarHBondContact OG1-O 2.5Å; T130-D180 WeakPolarHBondContact OG1-CA 3.38Å; T130-D180 PolarHBondContact OG1-N 3.12Å
131	D	92.9	Very high	97	Very high	42 Å²	42	37.9 Å²	37.9	23%	0.225	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-1.3	177.7	56.6	-6.9	0	0	0	114.1	T129 Y133 L181	T129-D131 VanDerWaalsContact C-N 3.32Å; T129-D131 WeakPolarHBondContact CB-OD1 3.4Å; T129-D131 PolarHBondContact O-N 3.41Å; T129-D131 PolarHBondContact OG1-OD1 3.1Å; D131-Y133 HydrophobicContact CB-CD2 4.42Å; D131-Y133 HydrophobicContact CB-CE2 4.48Å; D131-Y133 VanDerWaalsContact CG-CD2 3.46Å; D131-Y133 WeakPolarHBondContact OD1-CD2 3.39Å; D131-Y133 WeakPolarHBondContact OD2-CD2 3.47Å; D131-Y133 VanDerWaalsContact OD2-CE2 3.31Å; D131-Y133 WeakPolarHBondContact OD2-CE2 3.47Å; D131-L181 VanDerWaalsContact OD2-CB 3.29Å; D131-L181 WeakPolarHBondContact OD2-CB 3.43Å; D131-L181 PolarHBondContact OD2-N 2.92Å
132	G	93.6	Very high	97	Very high	19 Å²	19	38 Å²	38	20%	0.196	19%	0.191	C	C	.	.	S	Bend	trans	94.9	10.8	167.8	0	0	0	0	0	116.2	T129 T130	T129-G132 PolarHBondContact O-N 3.14Å; T129-G132 VanDerWaalsContact O-N 3.14Å; T130-G132 VanDerWaalsContact C-N 3.27Å; T130-G132 PolarHBondContact O-N 3.05Å
133	Y	96	Very high	97	Very high	18 Å²	18	34.1 Å²	34.1	7%	0.071	17%	0.173	C	C	.	.			trans	-73.7	133.5	167.9	-64.5	-93.8	0	0	0	110.2	N99 K128 T129 D131 L181 M217 K220 P221	N99-Y133 PolarHBondContact ND2-OH 2.99Å; K128-Y133 CarbonylContact C-O 3.59Å; K128-Y133 WeakPolarHBondContact CA-O 3.35Å; T129-Y133 PolarHBondContact N-O 3.17Å; T129-Y133 WeakPolarHBondContact OG1-CB 3.47Å; T129-Y133 PolarHBondContact OG1-N 3.4Å; T129-Y133 VanDerWaalsContact OG1-N 3.1Å; T129-Y133 PolarHBondContact OG1-O 3.25Å; T129-Y133 VanDerWaalsContact OG1-O 3.12Å; D131-Y133 HydrophobicContact CB-CD2 4.42Å; D131-Y133 HydrophobicContact CB-CE2 4.48Å; D131-Y133 VanDerWaalsContact CG-CD2 3.46Å; D131-Y133 WeakPolarHBondContact OD1-CD2 3.39Å; D131-Y133 WeakPolarHBondContact OD2-CD2 3.47Å; D131-Y133 VanDerWaalsContact OD2-CE2 3.31Å; D131-Y133 WeakPolarHBondContact OD2-CE2 3.47Å; Y133-L181 HydrophobicContact CD1-CD2 4.1Å; Y133-L181 HydrophobicContact CD2-CB 4Å; Y133-L181 HydrophobicContact CD2-CD2 3.98Å; Y133-L181 HydrophobicContact CD2-CG 4.43Å; Y133-L181 HydrophobicContact CE1-CD2 3.94Å; Y133-L181 HydrophobicContact CE2-CB 4.17Å; Y133-L181 HydrophobicContact CE2-CD2 3.84Å; Y133-L181 HydrophobicContact CG-CD1 4.48Å; Y133-L181 HydrophobicContact CG-CD2 4.12Å; Y133-M217 HydrophobicContact CD1-CE 3.53Å; Y133-M217 HydrophobicContact CD1-SD 3.75Å; Y133-M217 HydrophobicContact CE1-CE 4.1Å; Y133-M217 HydrophobicContact CE1-SD 4.13Å; Y133-M217 HydrophobicContact CG-CE 4.21Å; Y133-K220 HydrophobicContact CD1-CB 4.35Å; Y133-K220 HydrophobicContact CD1-CG 4.06Å; Y133-K220 HydrophobicContact CE1-CB 4.24Å; Y133-K220 HydrophobicContact CE1-CG 4Å; Y133-P221 VanDerWaalsContact CD1-CD 3.43Å; Y133-P221 HydrophobicContact CD1-CG 4.38Å; Y133-P221 HydrophobicContact CD2-CG 4.12Å; Y133-P221 VanDerWaalsContact CE1-CD 3.43Å; Y133-P221 HydrophobicContact CE1-CG 4.09Å; Y133-P221 HydrophobicContact CE2-CG 3.78Å; Y133-P221 HydrophobicContact CG-CG 4.4Å
134	L	97.3	Very high	97	Very high	56 Å²	56	38.3 Å²	38.3	29%	0.293	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.8	172.3	-173.2	69.7	0	0	0	108.6	K128 L218 K219	K128-L134 HydrophobicContact CB-CD1 4.08Å; L134-L218 HydrophobicContact CB-CB 4.27Å; L134-L218 HydrophobicContact CD2-CB 3.95Å; L134-L218 HydrophobicContact CD2-CD1 3.94Å; L134-L218 HydrophobicContact CG-CB 4.08Å; L134-L218 HydrophobicContact CG-CD1 4.08Å; L134-L218 WeakPolarHBondContact O-CB 3.32Å; L134-L218 PolarHBondContact O-N 2.82Å; L134-K219 HydrophobicContact CB-CB 3.82Å; L134-K219 HydrophobicContact CD2-CB 4.45Å; L134-K219 PolarHBondContact N-O 3.47Å; L134-K219 PolarHBondContact O-N 2.81Å
135	L	97.3	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.8	-177.6	-57.7	179.1	0	0	0	110.4	D126 V127 T129 L137 V176 L181 V184 V215 K216 M217	D126-L135 WeakPolarHBondContact CA-O 3.44Å; V127-L135 PolarHBondContact N-O 3.25Å; V127-L135 PolarHBondContact O-N 3.44Å; T129-L135 HydrophobicContact CG2-CD1 3.88Å; T129-L135 HydrophobicContact CG2-CG 4.45Å; L135-L137 HydrophobicContact CB-CD1 3.9Å; L135-V176 HydrophobicContact CD1-CG1 4.33Å; L135-L181 HydrophobicContact CD1-CD1 4.01Å; L135-L181 HydrophobicContact CD2-CD1 4.39Å; L135-V184 HydrophobicContact CD1-CG1 4.23Å; L135-V215 HydrophobicContact CB-CG1 4.49Å; L135-V215 HydrophobicContact CD2-CG1 4.45Å; L135-K216 CarbonylContact C-O 3.52Å; L135-K216 WeakPolarHBondContact CA-O 3.25Å; L135-M217 HydrophobicContact CD2-CB 4.29Å; L135-M217 HydrophobicContact CD2-CE 3.66Å; L135-M217 HydrophobicContact CD2-CG 4.28Å
136	R	98	Very high	96.7	Very high	78 Å²	78	45.2 Å²	45.2	29%	0.294	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	113.4	165.2	-178.5	171.8	-68.9	167.1	2.3	109.1	V125 D126 F138 V215 K216 L218	V125-R136 WeakPolarHBondContact O-CA 3.48Å; D126-R136 VanDerWaalsContact OD1-CB 3.23Å; D126-R136 WeakPolarHBondContact OD1-CB 3.46Å; D126-R136 WeakPolarHBondContact OD1-CD 3.44Å; D126-R136 WeakPolarHBondContact OD1-CG 3.43Å; D126-R136 IonicContact OD1-CZ 2.67Å; D126-R136 IonicContact OD1-NE 2.68Å; D126-R136 PolarHBondContact OD1-NE 3.17Å; D126-R136 IonicContact OD1-NH2 3.73Å; D126-R136 PolarHBondContact OD1-NH2 3.48Å; D126-R136 IonicContact OD2-CZ 2.74Å; D126-R136 IonicContact OD2-NE 3.91Å; D126-R136 IonicContact OD2-NH2 3.67Å; D126-R136 PolarHBondContact OD2-NH2 3Å; R136-F138 HydrophobicContact CB-CE2 4.44Å; R136-F138 VanDerWaalsContact CD-CZ 3.43Å; R136-F138 HydrophobicContact CG-CD2 4.28Å; R136-F138 HydrophobicContact CG-CE2 3.58Å; R136-F138 HydrophobicContact CG-CZ 3.81Å; R136-V215 WeakPolarHBondContact O-CA 3.27Å; R136-K216 HydrophobicContact CB-CB 4.31Å; R136-K216 PolarHBondContact N-O 3.02Å; R136-K216 PolarHBondContact O-N 2.85Å; R136-L218 HydrophobicContact CB-CD1 4.01Å; R136-L218 HydrophobicContact CB-CD2 4.24Å; R136-L218 HydrophobicContact CB-CG 4.07Å
137	L	97.6	Very high	96.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.5	178.3	-63.9	92.7	0	0	0	109.6	H124 V125 L135 M172 V176 V212 K214 V215	H124-L137 CarbonylContact C-O 3.52Å; H124-L137 WeakPolarHBondContact CA-O 3.32Å; V125-L137 HydrophobicContact CG1-CB 4.41Å; V125-L137 PolarHBondContact N-O 3.09Å; V125-L137 PolarHBondContact O-N 3.29Å; L135-L137 HydrophobicContact CB-CD1 3.9Å; L137-M172 HydrophobicContact CB-CE 3.18Å; L137-M172 HydrophobicContact CD2-CE 4.38Å; L137-M172 HydrophobicContact CG-CE 4.36Å; L137-V176 HydrophobicContact CD1-CG1 4.38Å; L137-V176 HydrophobicContact CD1-CG2 4Å; L137-V176 HydrophobicContact CD2-CG2 3.85Å; L137-V212 HydrophobicContact CD2-CG1 4.47Å; L137-K214 CarbonylContact C-O 3.46Å; L137-V215 HydrophobicContact CD2-CG2 4.24Å; L137-V215 HydrophobicContact CG-CG1 4.38Å; L137-V215 HydrophobicContact CG-CG2 4.18Å
138	F	98.1	Very high	96.5	Very high	54 Å²	54	55.7 Å²	55.7	24%	0.237	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.3	174.2	-64.7	-93.9	0	0	0	108.4	H124 R136 V212 R213 K214 K216	H124-F138 HydrophobicContact CB-CD1 3.64Å; H124-F138 HydrophobicContact CB-CE1 3.82Å; H124-F138 HydrophobicContact CB-CG 4.31Å; R136-F138 HydrophobicContact CB-CE2 4.44Å; R136-F138 VanDerWaalsContact CD-CZ 3.43Å; R136-F138 HydrophobicContact CG-CD2 4.28Å; R136-F138 HydrophobicContact CG-CE2 3.58Å; R136-F138 HydrophobicContact CG-CZ 3.81Å; F138-V212 CarbonylContact O-C 3.47Å; F138-V212 WeakPolarHBondContact O-CA 3.13Å; F138-R213 HydrophobicContact CB-CB 4.37Å; F138-R213 PolarHBondContact O-N 2.68Å; F138-K214 HydrophobicContact CB-CB 4.11Å; F138-K214 HydrophobicContact CD2-CB 3.84Å; F138-K214 HydrophobicContact CD2-CG 4.3Å; F138-K214 HydrophobicContact CG-CB 4.28Å; F138-K214 PolarHBondContact N-O 2.86Å; F138-K214 PolarHBondContact O-N 3.11Å; F138-K216 HydrophobicContact CE2-CD 3.96Å; F138-K216 HydrophobicContact CE2-CG 4.18Å
139	C	97.1	Very high	96.3	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.02	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144	173.4	-173.9	0	0	0	0	109.8	E122 A123 M172 Y211	E122-C139 WeakPolarHBondContact CA-O 3.5Å; A123-C139 PolarHBondContact N-O 3.14Å; A123-C139 PolarHBondContact O-N 3.14Å; C139-M172 HydrophobicContact CB-CE 4.01Å; C139-M172 HydrophobicContact CB-SD 3.48Å; C139-M172 WeakPolarHBondContact CB-SD 3.45Å; C139-Y211 WeakPolarHBondContact CA-O 3.44Å
140	V	97.8	Very high	96.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145	170.8	65.9	0	0	0	0	109	M110 M120 I121 E122 F142 V210 Y211 R213	M110-V140 HydrophobicContact CE-CG2 4.3Å; M110-V140 HydrophobicContact SD-CG1 4.47Å; M120-V140 HydrophobicContact CG-CG2 4.17Å; I121-V140 CarbonylContact O-C 3.58Å; I121-V140 WeakPolarHBondContact O-CA 3.18Å; E122-V140 HydrophobicContact CG-CG2 4.09Å; V140-F142 HydrophobicContact CG2-CE2 3.84Å; V140-F142 HydrophobicContact CG2-CZ 3.9Å; V140-V210 WeakPolarHBondContact O-CA 3.32Å; V140-Y211 PolarHBondContact N-O 3.3Å; V140-Y211 PolarHBondContact O-N 3.33Å; V140-R213 HydrophobicContact CG1-CB 4.05Å
141	G	97.7	Very high	96.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	156.3	170.9	0	0	0	0	0	111.6	I121	I121-G141 PolarHBondContact N-O 3.31Å; I121-G141 PolarHBondContact O-N 2.92Å
142	F	98.1	Very high	96.4	Very high	2 Å²	2	69 Å²	69	1%	0.009	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.4	-177.5	-61	-88.6	0	0	0	111	M113 V114 Q118 M120 V140 K144 L207 H208 D209	M113-F142 HydrophobicContact CB-CD2 4.14Å; M113-F142 HydrophobicContact CB-CE2 3.47Å; M113-F142 VanDerWaalsContact CB-CE2 3.47Å; M113-F142 HydrophobicContact CB-CZ 3.82Å; M113-F142 HydrophobicContact CG-CE2 4.44Å; M113-F142 HydrophobicContact SD-CE2 4.34Å; V114-F142 HydrophobicContact CG2-CE1 4.34Å; V114-F142 HydrophobicContact CG2-CZ 4.1Å; Q118-F142 HydrophobicContact CG-CD1 4.44Å; Q118-F142 VanDerWaalsContact NE2-CD1 3.32Å; M120-F142 HydrophobicContact CB-CD1 4.13Å; M120-F142 HydrophobicContact CB-CE1 3.86Å; M120-F142 HydrophobicContact CE-CE1 3.58Å; M120-F142 HydrophobicContact CE-CZ 3.84Å; M120-F142 HydrophobicContact CG-CD1 4.37Å; M120-F142 HydrophobicContact CG-CE1 3.78Å; M120-F142 HydrophobicContact CG-CZ 4.27Å; V140-F142 HydrophobicContact CG2-CE2 3.84Å; V140-F142 HydrophobicContact CG2-CZ 3.9Å; F142-K144 PolarHBondContact O-N 3.48Å; F142-L207 CarbonylContact O-C 3.6Å; F142-L207 VanDerWaalsContact O-CA 3.28Å; F142-L207 WeakPolarHBondContact O-CA 3.3Å; F142-H208 VanDerWaalsContact CB-CE1 3.5Å; F142-H208 WeakPolarHBondContact CB-CE1 3.47Å; F142-H208 PolarHBondContact N-O 2.84Å; F142-H208 VanDerWaalsContact N-O 3.11Å; F142-H208 PolarHBondContact O-N 3.2Å; F142-H208 PolarHBondContact O-ND1 2.66Å; F142-D209 HydrophobicContact CD2-CB 4.01Å
143	T	97.9	Very high	96.5	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.8	175.8	50.6	0	0	0	0	111.5	Q118 T119 I121 S154 A156 Y205 L207 H208	Q118-T143 WeakPolarHBondContact CA-OG1 3.37Å; Q118-T143 WeakPolarHBondContact CB-OG1 3.46Å; T119-T143 PolarHBondContact N-OG1 3.11Å; T119-T143 PolarHBondContact O-N 2.83Å; T119-T143 PolarHBondContact O-OG1 2.87Å; I121-T143 HydrophobicContact CD1-CG2 4.45Å; T143-S154 WeakPolarHBondContact CB-O 3.47Å; T143-S154 PolarHBondContact OG1-O 2.87Å; T143-A156 HydrophobicContact CG2-CB 3.85Å; T143-Y205 HydrophobicContact CG2-CD1 3.67Å; T143-Y205 HydrophobicContact CG2-CE1 3.69Å; T143-Y205 HydrophobicContact CG2-CG 4.45Å; T143-L207 HydrophobicContact CG2-CD2 4.46Å; T143-H208 PolarHBondContact O-CE1 2.91Å; T143-H208 PolarHBondContact O-ND1 2.79Å
144	K	97.1	Very high	96.5	Very high	97 Å²	97	69.6 Å²	69.6	42%	0.422	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-87.2	134	-179.7	-173.2	175.6	-173.8	168	0	111	F142 P206 H208	F142-K144 PolarHBondContact O-N 3.48Å; K144-P206 HydrophobicContact CB-CB 4.2Å; K144-P206 WeakPolarHBondContact CB-O 3.36Å; K144-P206 PolarHBondContact N-O 2.86Å; K144-H208 WeakPolarHBondContact CA-ND1 3.23Å; K144-H208 HydrophobicContact CB-CB 4.1Å; K144-H208 HydrophobicContact CD-CB 4.23Å; K144-H208 HydrophobicContact CG-CB 4.22Å
145	K	95.7	Very high	96.6	Very high	102 Å²	102	72.6 Å²	72.6	44%	0.443	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-75.1	131.4	167.2	-172.7	-178.2	176.5	-173.9	0	109.3	Q149 R151	K145-Q149 WeakPolarHBondContact CE-O 3.38Å; K145-Q149 HydrophobicContact CG-CB 4.01Å; K145-Q149 HydrophobicContact CG-CG 4.29Å; K145-Q149 PolarHBondContact NZ-O 3.04Å; K145-R151 VanDerWaalsContact CE-O 3.28Å; K145-R151 WeakPolarHBondContact CE-O 3.39Å
146	R	94.2	Very high	96.6	Very high	174 Å²	174	73.2 Å²	73.2	66%	0.657	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-72.7	150.1	174.9	-62.8	-173.5	177.6	-172.4	-0.7	110.7	N148 Q149	R146-N148 VanDerWaalsContact C-N 3.28Å; R146-N148 PolarHBondContact O-N 3.25Å; R146-Q149 HydrophobicContact CB-CB 4.15Å; R146-Q149 WeakPolarHBondContact O-CB 3.17Å; R146-Q149 PolarHBondContact O-N 3.15Å; R146-Q149 VanDerWaalsContact O-N 3.07Å
147	T	94.9	Very high	96.5	Very high	143 Å²	143	76.1 Å²	76.1	88%	0.877	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-42.6	-178.3	-46.3	0	0	0	0	112.4	Q149	T147-Q149 VanDerWaalsContact C-N 3.34Å; T147-Q149 PolarHBondContact O-N 2.81Å
148	N	94.7	Very high	96.5	Very high	156 Å²	156	82.1 Å²	82.1	83%	0.834	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	18.6	-177.3	-58.7	-14.5	0	0	0	113.2	R146 I150	R146-N148 VanDerWaalsContact C-N 3.28Å; R146-N148 PolarHBondContact O-N 3.25Å; N148-I150 PolarHBondContact O-N 2.76Å
149	Q	94.9	Very high	96.5	Very high	42 Å²	42	84.6 Å²	84.6	20%	0.196	40%	0.395	C	S	.	.			trans	-83.3	111.6	-177.7	-173.8	171.6	-17.3	0	0	111.5	K145 R146 T147 R151 T153	K145-Q149 WeakPolarHBondContact CE-O 3.38Å; K145-Q149 HydrophobicContact CG-CB 4.01Å; K145-Q149 HydrophobicContact CG-CG 4.29Å; K145-Q149 PolarHBondContact NZ-O 3.04Å; R146-Q149 HydrophobicContact CB-CB 4.15Å; R146-Q149 WeakPolarHBondContact O-CB 3.17Å; R146-Q149 PolarHBondContact O-N 3.15Å; R146-Q149 VanDerWaalsContact O-N 3.07Å; T147-Q149 VanDerWaalsContact C-N 3.34Å; T147-Q149 PolarHBondContact O-N 2.81Å; Q149-R151 HydrophobicContact CG-CB 4.29Å; Q149-T153 PolarHBondContact NE2-O 3.06Å
150	I	95.4	Very high	96.5	Very high	169 Å²	169	87 Å²	87	87%	0.867	41%	0.405	S	S	*	.			trans	-67.3	-40.8	177.2	-54.7	171.7	0	0	0	110.8	N148 K152	N148-I150 PolarHBondContact O-N 2.76Å; I150-K152 PolarHBondContact O-N 2.99Å
151	R	95.8	Very high	96.6	Very high	194 Å²	194	87.6 Å²	87.6	73%	0.732	41%	0.409	S	S	*	.	S	Bend	trans	-59.9	135.2	179.2	-70.2	-174.8	178.2	-179.2	-0.1	111	K145 Q149 T153	K145-R151 VanDerWaalsContact CE-O 3.28Å; K145-R151 WeakPolarHBondContact CE-O 3.39Å; Q149-R151 HydrophobicContact CG-CB 4.29Å; R151-T153 VanDerWaalsContact C-N 3.29Å; R151-T153 PolarHBondContact O-N 3.41Å
152	K	94.4	Very high	96.6	Very high	141 Å²	141	94.8 Å²	94.8	61%	0.613	44%	0.436	S	S	*	.	S	Bend	trans	-66.6	-32.5	174.9	-169.6	174.6	-174.8	175.8	0	112.3	W117 I150	W117-K152 HydrophobicContact CD2-CD 4.41Å; W117-K152 HydrophobicContact CD2-CG 4.48Å; W117-K152 HydrophobicContact CG-CG 4.28Å; I150-K152 PolarHBondContact O-N 2.99Å
153	T	96.8	Very high	96.5	Very high	43 Å²	43	98.9 Å²	98.9	26%	0.264	46%	0.456	S	S	.	.			trans	-95.2	144.2	-174.5	61.4	0	0	0	0	112.4	W117 Q149 R151 Y155	W117-T153 HydrophobicContact CB-CG2 4.36Å; W117-T153 HydrophobicContact CD2-CG2 4.25Å; W117-T153 HydrophobicContact CE3-CG2 3.4Å; W117-T153 VanDerWaalsContact CE3-CG2 3.4Å; W117-T153 HydrophobicContact CZ3-CG2 4.01Å; Q149-T153 PolarHBondContact NE2-O 3.06Å; R151-T153 VanDerWaalsContact C-N 3.29Å; R151-T153 PolarHBondContact O-N 3.41Å; T153-Y155 HydrophobicContact CG2-CD2 4.37Å; T153-Y155 HydrophobicContact CG2-CE2 3.77Å
154	S	96.7	Very high	96.5	Very high	6 Å²	6	98.9 Å²	98.9	4%	0.042	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-126.9	52.9	179.4	55.7	0	0	0	0	110.6	W117 T143 Y205	W117-S154 PolarHBondContact O-N 2.99Å; W117-S154 PolarHBondContact O-OG 2.89Å; T143-S154 WeakPolarHBondContact CB-O 3.47Å; T143-S154 PolarHBondContact OG1-O 2.87Å; S154-Y205 VanDerWaalsContact C-OH 3.23Å; S154-Y205 WeakPolarHBondContact CA-OH 3.28Å; S154-Y205 PolarHBondContact O-OH 3.03Å
155	Y	97.7	Very high	96.6	Very high	119 Å²	119	99 Å²	99	47%	0.467	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-84.1	128.5	-175.3	-59.7	-39.4	0	0	0	112.6	W117 T119 T153	W117-Y155 VanDerWaalsContact C-CE1 3.48Å; T119-Y155 WeakPolarHBondContact OG1-CA 3.36Å; T153-Y155 HydrophobicContact CG2-CD2 4.37Å; T153-Y155 HydrophobicContact CG2-CE2 3.77Å
156	A	97.1	Very high	96.7	Very high	13 Å²	13	101.2 Å²	101.2	11%	0.107	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-80	140.8	169.1	0	0	0	0	0	110.2	T119 T143 Q160 V161 Y205	T119-A156 PolarHBondContact OG1-N 2.97Å; T119-A156 VanDerWaalsContact OG1-N 3.16Å; T143-A156 HydrophobicContact CG2-CB 3.85Å; A156-Q160 HydrophobicContact CB-CB 4.31Å; A156-V161 HydrophobicContact CB-CG2 3.9Å; A156-Y205 HydrophobicContact CB-CD2 4.04Å; A156-Y205 HydrophobicContact CB-CE2 4.36Å; A156-Y205 HydrophobicContact CB-CG 4.2Å
157	Q	97.8	Very high	96.8	Very high	140 Å²	140	96.1 Å²	96.1	65%	0.654	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-66.5	156	173.4	-68	-177.4	-14.9	0	0	110.9	Q159 Q160 V161	Q157-Q159 PolarHBondContact O-N 3.48Å; Q157-Q159 VanDerWaalsContact O-N 3.17Å; Q157-Q160 HydrophobicContact CB-CG 4.39Å; Q157-Q160 WeakPolarHBondContact O-CB 3.19Å; Q157-Q160 PolarHBondContact O-N 2.83Å; Q157-V161 PolarHBondContact O-N 2.76Å
158	H	97.4	Very high	97	Very high	126 Å²	126	89.3 Å²	89.3	58%	0.583	40%	0.404	S	S	*	.	H	α-helix	trans	-56	-38.8	-176.5	-171.2	75.1	0	0	0	113.1	V161 R162	H158-V161 PolarHBondContact O-N 3.19Å; H158-R162 PolarHBondContact NE2-NE 2.99Å; H158-R162 PolarHBondContact O-N 3.21Å
159	Q	97.9	Very high	97.1	Very high	107 Å²	107	85.4 Å²	85.4	50%	0.5	38%	0.381	S	S	.	.	H	α-helix	trans	-67	-39.2	178	-171.7	64.6	-2.1	0	0	112.4	Q157 V161 R162 Q163	Q157-Q159 PolarHBondContact O-N 3.48Å; Q157-Q159 VanDerWaalsContact O-N 3.17Å; Q159-V161 VanDerWaalsContact C-N 3.35Å; Q159-R162 PolarHBondContact O-N 3.02Å; Q159-Q163 WeakPolarHBondContact O-CG 3.41Å; Q159-Q163 PolarHBondContact O-N 3.4Å
160	Q	97.6	Very high	97.2	Very high	52 Å²	52	89.1 Å²	89.1	24%	0.243	40%	0.399	C	S	.	.	H	α-helix	trans	-63.4	-42.4	174.5	-66.7	173.1	-38.2	0	0	110.8	A156 Q157 R162 Q163 I164 I204	A156-Q160 HydrophobicContact CB-CB 4.31Å; Q157-Q160 HydrophobicContact CB-CG 4.39Å; Q157-Q160 WeakPolarHBondContact O-CB 3.19Å; Q157-Q160 PolarHBondContact O-N 2.83Å; Q160-R162 VanDerWaalsContact C-N 3.33Å; Q160-R162 PolarHBondContact O-N 2.8Å; Q160-Q163 PolarHBondContact O-N 3.33Å; Q160-I164 WeakPolarHBondContact O-CB 3.25Å; Q160-I164 VanDerWaalsContact O-CG1 3.27Å; Q160-I164 WeakPolarHBondContact O-CG1 3.3Å; Q160-I164 PolarHBondContact O-N 2.95Å; Q160-I204 HydrophobicContact CB-CG2 3.91Å; Q160-I204 HydrophobicContact CG-CG2 4.1Å
161	V	98.1	Very high	97.3	Very high	13 Å²	13	81.6 Å²	81.6	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-43.4	175.6	175.2	0	0	0	0	111.3	T119 I121 A156 Q157 H158 Q159 I164 R165	T119-V161 HydrophobicContact CG2-CG2 3.95Å; I121-V161 HydrophobicContact CD1-CG2 4.23Å; I121-V161 HydrophobicContact CG1-CG1 4.22Å; I121-V161 HydrophobicContact CG1-CG2 4.31Å; I121-V161 HydrophobicContact CG2-CG1 4.19Å; A156-V161 HydrophobicContact CB-CG2 3.9Å; Q157-V161 PolarHBondContact O-N 2.76Å; H158-V161 PolarHBondContact O-N 3.19Å; Q159-V161 VanDerWaalsContact C-N 3.35Å; V161-I164 PolarHBondContact O-N 3.38Å; V161-R165 WeakPolarHBondContact O-CG 3.46Å; V161-R165 PolarHBondContact O-N 2.83Å
162	R	97.9	Very high	97.3	Very high	151 Å²	151	72.4 Å²	72.4	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-62.1	-44.4	175.9	-77.3	179	154.1	-157	-9.3	112.4	H158 Q159 Q160 R165 K166	H158-R162 PolarHBondContact NE2-NE 2.99Å; H158-R162 PolarHBondContact O-N 3.21Å; Q159-R162 PolarHBondContact O-N 3.02Å; Q160-R162 VanDerWaalsContact C-N 3.33Å; Q160-R162 PolarHBondContact O-N 2.8Å; R162-R165 PolarHBondContact O-N 3Å; R162-K166 PolarHBondContact O-N 3.47Å
163	Q	97.6	Very high	97.5	Very high	89 Å²	89	67.2 Å²	67.2	42%	0.416	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-41.4	177.9	-70.2	175.3	-5	0	0	112.1	Q159 Q160 K166 K167 I204	Q159-Q163 WeakPolarHBondContact O-CG 3.41Å; Q159-Q163 PolarHBondContact O-N 3.4Å; Q160-Q163 PolarHBondContact O-N 3.33Å; Q163-K166 PolarHBondContact O-N 3.23Å; Q163-K167 PolarHBondContact O-N 3.44Å; Q163-I204 HydrophobicContact CB-CD1 3.93Å; Q163-I204 HydrophobicContact CB-CG2 4.46Å
164	I	97.8	Very high	97.4	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-45.9	175.6	-69.4	164	0	0	0	110.5	I121 Q160 V161 K166 K167 M168 C201 I204 L207	I121-I164 HydrophobicContact CD1-CB 4.22Å; I121-I164 HydrophobicContact CD1-CD1 3.62Å; I121-I164 HydrophobicContact CD1-CG2 3.92Å; I121-I164 HydrophobicContact CG2-CG2 3.92Å; Q160-I164 WeakPolarHBondContact O-CB 3.25Å; Q160-I164 VanDerWaalsContact O-CG1 3.27Å; Q160-I164 WeakPolarHBondContact O-CG1 3.3Å; Q160-I164 PolarHBondContact O-N 2.95Å; V161-I164 PolarHBondContact O-N 3.38Å; I164-K166 VanDerWaalsContact C-N 3.29Å; I164-K166 PolarHBondContact O-N 3.38Å; I164-K167 PolarHBondContact O-N 3.36Å; I164-M168 HydrophobicContact CG2-CE 3.94Å; I164-M168 HydrophobicContact CG2-CG 4.37Å; I164-M168 HydrophobicContact CG2-SD 4.09Å; I164-M168 WeakPolarHBondContact O-CG 3.28Å; I164-M168 PolarHBondContact O-N 3.03Å; I164-C201 HydrophobicContact CG1-CB 4.45Å; I164-I204 HydrophobicContact CD1-CG2 4.15Å; I164-I204 HydrophobicContact CG1-CB 4.15Å; I164-I204 HydrophobicContact CG1-CD1 4.13Å; I164-I204 HydrophobicContact CG1-CG2 3.93Å; I164-L207 HydrophobicContact CD1-CD2 4.35Å; I164-L207 HydrophobicContact CG2-CD1 3.93Å
165	R	97.9	Very high	97.4	Very high	99 Å²	99	72.2 Å²	72.2	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-58.3	-41.6	175.4	-76.7	-178.9	174.1	161.6	4.3	112.2	I121 E122 V161 R162 M168 M169	I121-R165 HydrophobicContact CG2-CG 3.7Å; E122-R165 WeakPolarHBondContact O-CD 3.46Å; E122-R165 PolarHBondContact O-NE 3.47Å; V161-R165 WeakPolarHBondContact O-CG 3.46Å; V161-R165 PolarHBondContact O-N 2.83Å; R162-R165 PolarHBondContact O-N 3Å; R165-M168 PolarHBondContact O-N 3.45Å; R165-M169 HydrophobicContact CB-CE 4.35Å; R165-M169 VanDerWaalsContact O-CE 3.31Å; R165-M169 WeakPolarHBondContact O-CE 3.32Å; R165-M169 WeakPolarHBondContact O-CG 3.32Å; R165-M169 PolarHBondContact O-N 2.73Å
166	K	97.7	Very high	97.2	Very high	148 Å²	148	66.7 Å²	66.7	64%	0.643	30%	0.299	S	S	*	.	H	α-helix	trans	-60.1	-48.1	176.5	-169.5	-179.3	178.4	-175.8	0	111.2	R162 Q163 I164 M169 E170	R162-K166 PolarHBondContact O-N 3.47Å; Q163-K166 PolarHBondContact O-N 3.23Å; I164-K166 VanDerWaalsContact C-N 3.29Å; I164-K166 PolarHBondContact O-N 3.38Å; K166-M169 PolarHBondContact O-N 2.94Å; K166-E170 WeakPolarHBondContact O-CB 3.48Å; K166-E170 PolarHBondContact O-N 2.88Å
167	K	97.2	Very high	97.2	Very high	68 Å²	68	71.4 Å²	71.4	30%	0.296	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-40.5	176.2	-81.9	-165.5	170.9	177.4	0	113.3	Q163 I164 E170 I171 A200 I204	Q163-K167 PolarHBondContact O-N 3.44Å; I164-K167 PolarHBondContact O-N 3.36Å; K167-E170 PolarHBondContact O-N 2.84Å; K167-I171 WeakPolarHBondContact O-CG1 3.38Å; K167-I171 PolarHBondContact O-N 2.64Å; K167-A200 PolarHBondContact NZ-O 3.33Å; K167-I204 HydrophobicContact CD-CD1 3.84Å; K167-I204 HydrophobicContact CG-CD1 4.49Å
168	M	97.8	Very high	97	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56.8	-51.8	174.5	-76	176	162.7	0	0	110.9	I121 A123 I164 R165 E170 M172 I197 L207 V210	I121-M168 HydrophobicContact CG2-CE 4.44Å; I121-M168 HydrophobicContact CG2-SD 4.11Å; A123-M168 HydrophobicContact CB-CB 3.82Å; A123-M168 HydrophobicContact CB-SD 4Å; I164-M168 HydrophobicContact CG2-CE 3.94Å; I164-M168 HydrophobicContact CG2-CG 4.37Å; I164-M168 HydrophobicContact CG2-SD 4.09Å; I164-M168 WeakPolarHBondContact O-CG 3.28Å; I164-M168 PolarHBondContact O-N 3.03Å; R165-M168 PolarHBondContact O-N 3.45Å; M168-E170 PolarHBondContact O-N 3.37Å; M168-M172 WeakPolarHBondContact O-CB 3.45Å; M168-M172 WeakPolarHBondContact O-CG 3.21Å; M168-M172 PolarHBondContact O-N 2.97Å; M168-I197 HydrophobicContact CB-CD1 4.5Å; M168-I197 HydrophobicContact CE-CG2 3.87Å; M168-I197 HydrophobicContact CG-CD1 4.37Å; M168-I197 HydrophobicContact CG-CG2 3.54Å; M168-L207 HydrophobicContact CE-CD1 4.1Å; M168-V210 HydrophobicContact CE-CG1 4.46Å
169	M	97.9	Very high	97	Very high	73 Å²	73	64.1 Å²	64.1	36%	0.36	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-41.5	-179.8	-68.5	-178.6	-72.5	0	0	111.9	A123 R165 K166 T173	A123-M169 HydrophobicContact CB-CG 4.14Å; R165-M169 HydrophobicContact CB-CE 4.35Å; R165-M169 VanDerWaalsContact O-CE 3.31Å; R165-M169 WeakPolarHBondContact O-CE 3.32Å; R165-M169 WeakPolarHBondContact O-CG 3.32Å; R165-M169 PolarHBondContact O-N 2.73Å; K166-M169 PolarHBondContact O-N 2.94Å; M169-T173 VanDerWaalsContact O-CB 3.3Å; M169-T173 WeakPolarHBondContact O-CB 3.3Å; M169-T173 PolarHBondContact O-N 3.02Å; M169-T173 PolarHBondContact O-OG1 2.82Å
170	E	97.5	Very high	96.8	Very high	120 Å²	120	61.3 Å²	61.3	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-61.4	-49.5	178.9	-175.3	-178.1	166.4	0	0	112.3	K166 K167 M168 T173 R174	K166-E170 WeakPolarHBondContact O-CB 3.48Å; K166-E170 PolarHBondContact O-N 2.88Å; K167-E170 PolarHBondContact O-N 2.84Å; M168-E170 PolarHBondContact O-N 3.37Å; E170-T173 PolarHBondContact O-N 3.2Å; E170-R174 WeakPolarHBondContact O-CB 3.36Å; E170-R174 PolarHBondContact O-N 3.42Å
171	I	96.8	Very high	96.7	Very high	12 Å²	12	59 Å²	59	6%	0.062	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-48.7	179.4	-66.8	167.6	0	0	0	110.1	K167 T173 R174 E175 D196 I197 A200	K167-I171 WeakPolarHBondContact O-CG1 3.38Å; K167-I171 PolarHBondContact O-N 2.64Å; I171-T173 PolarHBondContact O-N 2.99Å; I171-R174 PolarHBondContact O-N 3.17Å; I171-E175 HydrophobicContact CG2-CG 4.16Å; I171-E175 WeakPolarHBondContact O-CG 2.92Å; I171-E175 PolarHBondContact O-N 3.41Å; I171-D196 HydrophobicContact CG2-CB 4.27Å; I171-I197 HydrophobicContact CB-CG1 4.08Å; I171-I197 HydrophobicContact CD1-CG1 4.01Å; I171-I197 HydrophobicContact CG2-CG1 3.95Å; I171-A200 HydrophobicContact CD1-CB 3.54Å
172	M	96.8	Very high	96.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-37.7	178.3	-67.5	167.2	72.6	0	0	112.4	V125 L137 C139 M168 V176 V193 I197	V125-M172 HydrophobicContact CG1-CB 3.76Å; V125-M172 HydrophobicContact CG1-CE 3.82Å; V125-M172 HydrophobicContact CG1-SD 4.34Å; L137-M172 HydrophobicContact CB-CE 3.18Å; L137-M172 HydrophobicContact CD2-CE 4.38Å; L137-M172 HydrophobicContact CG-CE 4.36Å; C139-M172 HydrophobicContact CB-CE 4.01Å; C139-M172 HydrophobicContact CB-SD 3.48Å; C139-M172 WeakPolarHBondContact CB-SD 3.45Å; M168-M172 WeakPolarHBondContact O-CB 3.45Å; M168-M172 WeakPolarHBondContact O-CG 3.21Å; M168-M172 PolarHBondContact O-N 2.97Å; M172-V176 WeakPolarHBondContact O-CB 3.37Å; M172-V176 VanDerWaalsContact O-CG2 3.29Å; M172-V176 WeakPolarHBondContact O-CG2 3.35Å; M172-V176 PolarHBondContact O-N 3.33Å; M172-V193 HydrophobicContact CG-CG1 4.02Å; M172-I197 HydrophobicContact CG-CD1 4.01Å; M172-I197 HydrophobicContact SD-CD1 4.44Å
173	T	97.1	Very high	96.3	Very high	32 Å²	32	59.3 Å²	59.3	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-49.1	177.3	-57	0	0	0	0	110.7	V127 M169 E170 I171 E175 V176 Q177	V127-T173 HydrophobicContact CG2-CG2 4.44Å; M169-T173 VanDerWaalsContact O-CB 3.3Å; M169-T173 WeakPolarHBondContact O-CB 3.3Å; M169-T173 PolarHBondContact O-N 3.02Å; M169-T173 PolarHBondContact O-OG1 2.82Å; E170-T173 PolarHBondContact O-N 3.2Å; I171-T173 PolarHBondContact O-N 2.99Å; T173-E175 PolarHBondContact O-N 3.43Å; T173-V176 PolarHBondContact O-N 3.31Å; T173-Q177 HydrophobicContact CG2-CG 3.87Å; T173-Q177 VanDerWaalsContact CG2-NE2 3.29Å; T173-Q177 WeakPolarHBondContact O-CB 3.17Å; T173-Q177 VanDerWaalsContact O-CG 3.31Å; T173-Q177 WeakPolarHBondContact O-CG 3.17Å; T173-Q177 PolarHBondContact O-N 3.32Å
174	R	96.1	Very high	96.2	Very high	128 Å²	128	55.2 Å²	55.2	48%	0.483	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-45.8	-179.9	-174.7	-173.4	68.1	-158.2	0.1	112.4	E170 I171 V176 T178	E170-R174 WeakPolarHBondContact O-CB 3.36Å; E170-R174 PolarHBondContact O-N 3.42Å; I171-R174 PolarHBondContact O-N 3.17Å; R174-V176 VanDerWaalsContact C-N 3.26Å; R174-V176 PolarHBondContact O-N 3.14Å; R174-T178 PolarHBondContact O-OG1 2.97Å
175	E	94.8	Very high	96	Very high	26 Å²	26	55.2 Å²	55.2	12%	0.121	26%	0.256	C	S	.	.	H	α-helix	trans	-71	-17.7	-176.8	-64.4	-51.4	136.6	0	0	114	I171 T173 N179 K187 V193	I171-E175 HydrophobicContact CG2-CG 4.16Å; I171-E175 WeakPolarHBondContact O-CG 2.92Å; I171-E175 PolarHBondContact O-N 3.41Å; T173-E175 PolarHBondContact O-N 3.43Å; E175-N179 PolarHBondContact O-OD1 3.33Å; E175-K187 PolarHBondContact O-NZ 3.18Å; E175-K187 IonicContact OE2-NZ 2.7Å; E175-K187 PolarHBondContact OE2-NZ 3.38Å; E175-V193 HydrophobicContact CB-CG2 4.18Å; E175-V193 HydrophobicContact CG-CG2 4.28Å
176	V	95.3	Very high	95.9	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-106.7	-35.9	-178.4	177.7	0	0	0	0	112.1	V127 T129 L135 L137 M172 T173 R174 T178 V184	V127-V176 HydrophobicContact CB-CB 4.19Å; V127-V176 HydrophobicContact CB-CG1 3.88Å; V127-V176 HydrophobicContact CG1-CB 3.77Å; V127-V176 HydrophobicContact CG1-CG1 3.65Å; T129-V176 HydrophobicContact CG2-CG1 3.74Å; L135-V176 HydrophobicContact CD1-CG1 4.33Å; L137-V176 HydrophobicContact CD1-CG1 4.38Å; L137-V176 HydrophobicContact CD1-CG2 4Å; L137-V176 HydrophobicContact CD2-CG2 3.85Å; M172-V176 WeakPolarHBondContact O-CB 3.37Å; M172-V176 VanDerWaalsContact O-CG2 3.29Å; M172-V176 WeakPolarHBondContact O-CG2 3.35Å; M172-V176 PolarHBondContact O-N 3.33Å; T173-V176 PolarHBondContact O-N 3.31Å; R174-V176 VanDerWaalsContact C-N 3.26Å; R174-V176 PolarHBondContact O-N 3.14Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 PolarHBondContact O-N 3.38Å; V176-V184 HydrophobicContact CB-CG2 4.43Å; V176-V184 HydrophobicContact CG1-CG2 4.24Å; V176-V184 HydrophobicContact CG2-CG1 4.33Å; V176-V184 HydrophobicContact CG2-CG2 4.36Å
177	Q	95.6	Very high	95.8	Very high	111 Å²	111	48.8 Å²	48.8	52%	0.519	24%	0.235	S	C	.	.	H	α-helix	trans	-67.6	-30.6	-179.1	-75.3	-174.1	-19	0	0	113.5	V127 T130 T173	V127-Q177 HydrophobicContact CG1-CB 4.31Å; V127-Q177 HydrophobicContact CG1-CG 3.29Å; T130-Q177 WeakPolarHBondContact CG2-O 3.49Å; T173-Q177 HydrophobicContact CG2-CG 3.87Å; T173-Q177 VanDerWaalsContact CG2-NE2 3.29Å; T173-Q177 WeakPolarHBondContact O-CB 3.17Å; T173-Q177 VanDerWaalsContact O-CG 3.31Å; T173-Q177 WeakPolarHBondContact O-CG 3.17Å; T173-Q177 PolarHBondContact O-N 3.32Å
178	T	95.3	Very high	95.6	Very high	94 Å²	94	45.7 Å²	45.7	58%	0.577	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-10.3	-174.9	53.8	0	0	0	0	113.2	R174 V176	R174-T178 PolarHBondContact O-OG1 2.97Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 PolarHBondContact O-N 3.38Å
179	N	96	Very high	95.4	Very high	20 Å²	20	46.1 Å²	46.1	11%	0.107	22%	0.223	C	C	.	.	S	Bend	trans	-121.7	157.1	-169.7	-61.3	106.1	0	0	0	111.7	T129 T130 E175 E183 V184 K187	T129-N179 WeakPolarHBondContact CB-O 3.46Å; T130-N179 PolarHBondContact N-O 2.79Å; T130-N179 PolarHBondContact OG1-O 2.5Å; E175-N179 PolarHBondContact O-OD1 3.33Å; N179-E183 HydrophobicContact CB-CB 3.94Å; N179-E183 PolarHBondContact ND2-OE2 2.85Å; N179-V184 HydrophobicContact CB-CG2 3.95Å; N179-K187 PolarHBondContact OD1-NZ 3.36Å
180	D	95.1	Very high	95.2	Very high	48 Å²	48	45.3 Å²	45.3	26%	0.257	22%	0.224	S	C	.	.			trans	-82	174.3	171.4	69.9	-8.1	0	0	0	111.2	T130 K182 E183 V184	T130-D180 WeakPolarHBondContact OG1-CA 3.38Å; T130-D180 PolarHBondContact OG1-N 3.12Å; D180-K182 PolarHBondContact O-N 3.03Å; D180-K182 PolarHBondContact OD1-N 2.91Å; D180-E183 PolarHBondContact O-N 2.98Å; D180-E183 WeakPolarHBondContact OD1-CB 3.32Å; D180-E183 VanDerWaalsContact OD1-CG 3.22Å; D180-E183 WeakPolarHBondContact OD1-CG 3.35Å; D180-E183 PolarHBondContact OD1-N 2.81Å; D180-V184 WeakPolarHBondContact O-CB 3.48Å; D180-V184 VanDerWaalsContact O-CG2 3.22Å; D180-V184 WeakPolarHBondContact O-CG2 3.46Å; D180-V184 PolarHBondContact O-N 3.25Å
181	L	93.9	Very high	95	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-33.5	-179.5	-169.2	64.8	0	0	0	112.4	F100 D131 Y133 L135 V185 M217	F100-L181 HydrophobicContact CB-CD2 4.34Å; F100-L181 HydrophobicContact CD1-CD1 3.87Å; F100-L181 HydrophobicContact CD1-CD2 4.43Å; F100-L181 HydrophobicContact CD1-CG 4.37Å; F100-L181 HydrophobicContact CE1-CD1 4.35Å; D131-L181 VanDerWaalsContact OD2-CB 3.29Å; D131-L181 WeakPolarHBondContact OD2-CB 3.43Å; D131-L181 PolarHBondContact OD2-N 2.92Å; Y133-L181 HydrophobicContact CD1-CD2 4.1Å; Y133-L181 HydrophobicContact CD2-CB 4Å; Y133-L181 HydrophobicContact CD2-CD2 3.98Å; Y133-L181 HydrophobicContact CD2-CG 4.43Å; Y133-L181 HydrophobicContact CE1-CD2 3.94Å; Y133-L181 HydrophobicContact CE2-CB 4.17Å; Y133-L181 HydrophobicContact CE2-CD2 3.84Å; Y133-L181 HydrophobicContact CG-CD1 4.48Å; Y133-L181 HydrophobicContact CG-CD2 4.12Å; L135-L181 HydrophobicContact CD1-CD1 4.01Å; L135-L181 HydrophobicContact CD2-CD1 4.39Å; L181-V185 VanDerWaalsContact O-CG2 3.31Å; L181-V185 WeakPolarHBondContact O-CG2 3.17Å; L181-V185 PolarHBondContact O-N 3.35Å; L181-M217 HydrophobicContact CD1-CE 3.99Å; L181-M217 HydrophobicContact CD2-CE 3.94Å
182	K	93.6	Very high	94.9	Very high	80 Å²	80	41 Å²	41	35%	0.348	21%	0.208	S	C	.	.	H	α-helix	trans	-64.8	-51.9	-178.4	-176.2	-177.6	177	-179.8	0	111.4	M38 D180 V184 V185 N186 L231	M38-K182 HydrophobicContact CG-CG 3.96Å; M38-K182 HydrophobicContact SD-CB 4.28Å; M38-K182 HydrophobicContact SD-CG 4.09Å; D180-K182 PolarHBondContact O-N 3.03Å; D180-K182 PolarHBondContact OD1-N 2.91Å; K182-V184 VanDerWaalsContact C-N 3.35Å; K182-V185 PolarHBondContact O-N 2.78Å; K182-N186 PolarHBondContact O-N 2.84Å; K182-N186 PolarHBondContact O-ND2 2.82Å; K182-L231 HydrophobicContact CB-CD2 4.01Å; K182-L231 HydrophobicContact CD-CD2 4.34Å; K182-L231 HydrophobicContact CG-CD2 4.25Å
183	E	94.4	Very high	94.8	Very high	91 Å²	91	41.3 Å²	41.3	43%	0.425	21%	0.209	S	C	.	.	H	α-helix	trans	-66.6	-37.1	178.2	-71.5	177.8	165.4	0	0	111.9	N179 D180 V185 N186 K187	N179-E183 HydrophobicContact CB-CB 3.94Å; N179-E183 PolarHBondContact ND2-OE2 2.85Å; D180-E183 PolarHBondContact O-N 2.98Å; D180-E183 WeakPolarHBondContact OD1-CB 3.32Å; D180-E183 VanDerWaalsContact OD1-CG 3.22Å; D180-E183 WeakPolarHBondContact OD1-CG 3.35Å; D180-E183 PolarHBondContact OD1-N 2.81Å; E183-V185 PolarHBondContact O-N 3.22Å; E183-N186 PolarHBondContact O-N 2.79Å; E183-K187 WeakPolarHBondContact O-CG 3.33Å; E183-K187 PolarHBondContact O-N 3.14Å
184	V	95.4	Very high	94.7	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-46.2	174.8	170.3	0	0	0	0	110.8	T129 L135 V176 N179 D180 K182 N186 K187 L188	T129-V184 HydrophobicContact CG2-CG2 4.2Å; L135-V184 HydrophobicContact CD1-CG1 4.23Å; V176-V184 HydrophobicContact CB-CG2 4.43Å; V176-V184 HydrophobicContact CG1-CG2 4.24Å; V176-V184 HydrophobicContact CG2-CG1 4.33Å; V176-V184 HydrophobicContact CG2-CG2 4.36Å; N179-V184 HydrophobicContact CB-CG2 3.95Å; D180-V184 WeakPolarHBondContact O-CB 3.48Å; D180-V184 VanDerWaalsContact O-CG2 3.22Å; D180-V184 WeakPolarHBondContact O-CG2 3.46Å; D180-V184 PolarHBondContact O-N 3.25Å; K182-V184 VanDerWaalsContact C-N 3.35Å; V184-N186 VanDerWaalsContact C-N 3.34Å; V184-N186 PolarHBondContact O-N 2.92Å; V184-K187 PolarHBondContact O-N 2.85Å; V184-L188 HydrophobicContact CG1-CD1 4.04Å; V184-L188 HydrophobicContact CG1-CG 4.46Å; V184-L188 VanDerWaalsContact O-CG 3.27Å; V184-L188 WeakPolarHBondContact O-CG 3.2Å; V184-L188 PolarHBondContact O-N 3.41Å; V184-L188 VanDerWaalsContact O-N 3.07Å
185	V	94.6	Very high	94.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-40.7	177.3	171.8	0	0	0	0	111.3	M38 F39 F84 F100 L181 K182 E183 K187 L188 I189	M38-V185 HydrophobicContact CB-CG1 4.35Å; M38-V185 HydrophobicContact CE-CB 4.35Å; M38-V185 HydrophobicContact CE-CG1 4.17Å; M38-V185 HydrophobicContact CE-CG2 4.37Å; M38-V185 HydrophobicContact SD-CB 3.54Å; M38-V185 VanDerWaalsContact SD-CB 3.54Å; M38-V185 HydrophobicContact SD-CG1 3.68Å; M38-V185 HydrophobicContact SD-CG2 4.07Å; F39-V185 HydrophobicContact CZ-CG1 4.12Å; F84-V185 HydrophobicContact CE1-CG1 4.3Å; F100-V185 HydrophobicContact CB-CG2 4.01Å; F100-V185 HydrophobicContact CD1-CG2 3.94Å; F100-V185 HydrophobicContact CD2-CG2 3.71Å; F100-V185 HydrophobicContact CE1-CG2 4.31Å; F100-V185 HydrophobicContact CE2-CG2 4.11Å; F100-V185 HydrophobicContact CG-CG2 3.61Å; F100-V185 HydrophobicContact CZ-CG2 4.38Å; L181-V185 VanDerWaalsContact O-CG2 3.31Å; L181-V185 WeakPolarHBondContact O-CG2 3.17Å; L181-V185 PolarHBondContact O-N 3.35Å; K182-V185 PolarHBondContact O-N 2.78Å; E183-V185 PolarHBondContact O-N 3.22Å; V185-K187 PolarHBondContact O-N 2.95Å; V185-L188 WeakPolarHBondContact O-CA 3.33Å; V185-L188 WeakPolarHBondContact O-CB 3.46Å; V185-L188 PolarHBondContact O-N 2.84Å; V185-I189 HydrophobicContact CG1-CD1 4.41Å; V185-I189 WeakPolarHBondContact O-CG1 3.47Å; V185-I189 PolarHBondContact O-N 3.31Å
186	N	94.7	Very high	94.8	Very high	69 Å²	69	41.5 Å²	41.5	37%	0.369	21%	0.213	S	C	.	.	H	α-helix	trans	-61	-31.7	175.8	-72.5	-20.3	0	0	0	113	K182 E183 V184 P190	K182-N186 PolarHBondContact O-N 2.84Å; K182-N186 PolarHBondContact O-ND2 2.82Å; E183-N186 PolarHBondContact O-N 2.79Å; V184-N186 VanDerWaalsContact C-N 3.34Å; V184-N186 PolarHBondContact O-N 2.92Å; N186-P190 WeakPolarHBondContact O-CD 3.42Å
187	K	95.3	Very high	94.9	Very high	43 Å²	43	41.3 Å²	41.3	19%	0.187	21%	0.212	C	C	.	.	H	α-helix	trans	-73.1	-32.1	171.4	-70.3	178.7	-175.5	-175.7	0	112.8	E175 N179 E183 V184 V185 D191 S192 V193	E175-K187 PolarHBondContact O-NZ 3.18Å; E175-K187 IonicContact OE2-NZ 2.7Å; E175-K187 PolarHBondContact OE2-NZ 3.38Å; N179-K187 PolarHBondContact OD1-NZ 3.36Å; E183-K187 WeakPolarHBondContact O-CG 3.33Å; E183-K187 PolarHBondContact O-N 3.14Å; V184-K187 PolarHBondContact O-N 2.85Å; V185-K187 PolarHBondContact O-N 2.95Å; K187-D191 WeakPolarHBondContact O-CA 3.32Å; K187-D191 PolarHBondContact O-N 3Å; K187-S192 WeakPolarHBondContact CB-OG 3.32Å; K187-S192 PolarHBondContact O-N 3.4Å; K187-S192 VanDerWaalsContact O-N 3.1Å; K187-S192 PolarHBondContact O-OG 3.36Å; K187-V193 HydrophobicContact CB-CG2 4.44Å
188	L	94.8	Very high	94.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-77.2	-22.7	-179.4	-68.9	173.7	0	0	0	113.9	R82 F100 M103 V184 V185 V212 V215	R82-L188 PolarHBondContact NH1-O 2.64Å; F100-L188 HydrophobicContact CZ-CD1 4.37Å; M103-L188 HydrophobicContact CE-CB 3.7Å; M103-L188 HydrophobicContact CE-CD1 4.11Å; M103-L188 HydrophobicContact CE-CD2 3.67Å; M103-L188 HydrophobicContact CE-CG 4.01Å; V184-L188 HydrophobicContact CG1-CD1 4.04Å; V184-L188 HydrophobicContact CG1-CG 4.46Å; V184-L188 VanDerWaalsContact O-CG 3.27Å; V184-L188 WeakPolarHBondContact O-CG 3.2Å; V184-L188 PolarHBondContact O-N 3.41Å; V184-L188 VanDerWaalsContact O-N 3.07Å; V185-L188 WeakPolarHBondContact O-CA 3.33Å; V185-L188 WeakPolarHBondContact O-CB 3.46Å; V185-L188 PolarHBondContact O-N 2.84Å; L188-V212 HydrophobicContact CD2-CB 4.21Å; L188-V212 HydrophobicContact CD2-CG1 4.07Å; L188-V212 HydrophobicContact CD2-CG2 4.11Å; L188-V215 HydrophobicContact CD1-CG2 3.97Å; L188-V215 HydrophobicContact CD2-CG2 4.32Å
189	I	93	Very high	95	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.051	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-61.4	176.4	-69.6	166.2	0	0	0	110.6	F39 L71 E78 F84 V185 D191	F39-I189 HydrophobicContact CD1-CD1 4.13Å; F39-I189 HydrophobicContact CE1-CD1 4Å; F39-I189 HydrophobicContact CE1-CG1 4.18Å; L71-I189 HydrophobicContact CD1-CG1 4.27Å; L71-I189 HydrophobicContact CD1-CG2 4.18Å; L71-I189 HydrophobicContact CD2-CG2 4.32Å; E78-I189 HydrophobicContact CG-CG2 4.27Å; F84-I189 HydrophobicContact CZ-CG1 4.35Å; V185-I189 HydrophobicContact CG1-CD1 4.41Å; V185-I189 WeakPolarHBondContact O-CG1 3.47Å; V185-I189 PolarHBondContact O-N 3.31Å; I189-D191 VanDerWaalsContact C-N 3.32Å; I189-D191 PolarHBondContact O-N 2.8Å
190	P	93.1	Very high	95	Very high	56 Å²	56	43.4 Å²	43.4	36%	0.364	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	0.4	178.7	37.3	-38.6	0	0	0	114.2	N186 K195	N186-P190 WeakPolarHBondContact O-CD 3.42Å; P190-K195 PolarHBondContact O-NZ 3.43Å
191	D	92.8	Very high	95.1	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.027	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	49	-176.8	-144.9	35.9	0	0	0	116.3	R82 K187 I189 V193 G194 K195 Y211	R82-D191 VanDerWaalsContact CZ-CG 3.42Å; R82-D191 IonicContact CZ-OD1 2.98Å; R82-D191 IonicContact CZ-OD2 2.69Å; R82-D191 IonicContact NH1-OD1 3.5Å; R82-D191 PolarHBondContact NH1-OD1 3.35Å; R82-D191 IonicContact NH1-OD2 2.67Å; R82-D191 IonicContact NH2-OD1 2.81Å; R82-D191 IonicContact NH2-OD2 3.5Å; R82-D191 PolarHBondContact NH2-OD2 3.1Å; K187-D191 WeakPolarHBondContact O-CA 3.32Å; K187-D191 PolarHBondContact O-N 3Å; I189-D191 VanDerWaalsContact C-N 3.32Å; I189-D191 PolarHBondContact O-N 2.8Å; D191-V193 PolarHBondContact O-N 3.49Å; D191-G194 PolarHBondContact O-N 3.37Å; D191-K195 PolarHBondContact O-N 3.23Å; D191-Y211 WeakPolarHBondContact OD2-CD1 3.39Å
192	S	95.2	Very high	95.1	Very high	37 Å²	37	45.8 Å²	45.8	26%	0.259	23%	0.227	S	C	.	.	H	α-helix	trans	-57.1	-38	176.6	56.4	0	0	0	0	112	K187 G194 K195 D196	K187-S192 WeakPolarHBondContact CB-OG 3.32Å; K187-S192 PolarHBondContact O-N 3.4Å; K187-S192 VanDerWaalsContact O-N 3.1Å; K187-S192 PolarHBondContact O-OG 3.36Å; S192-G194 PolarHBondContact O-N 3.5Å; S192-K195 PolarHBondContact O-N 2.88Å; S192-D196 PolarHBondContact O-N 3.45Å
193	V	95.6	Very high	95.2	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.03	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-44.7	178.9	-174.6	0	0	0	0	111.9	M172 E175 K187 D191 D196 I197 V212	M172-V193 HydrophobicContact CG-CG1 4.02Å; E175-V193 HydrophobicContact CB-CG2 4.18Å; E175-V193 HydrophobicContact CG-CG2 4.28Å; K187-V193 HydrophobicContact CB-CG2 4.44Å; D191-V193 PolarHBondContact O-N 3.49Å; V193-D196 PolarHBondContact O-N 3.34Å; V193-I197 HydrophobicContact CG1-CD1 4.1Å; V193-I197 WeakPolarHBondContact O-CD1 3.39Å; V193-I197 VanDerWaalsContact O-CG1 3.23Å; V193-I197 WeakPolarHBondContact O-CG1 3.4Å; V193-I197 PolarHBondContact O-N 2.7Å; V193-I197 VanDerWaalsContact O-N 3.09Å; V193-V212 HydrophobicContact CB-CG2 4.15Å; V193-V212 HydrophobicContact CG1-CG2 4.18Å
194	G	95.1	Very high	95.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-43	177.7	0	0	0	0	0	112.4	D191 S192 I197 E198 V210	D191-G194 PolarHBondContact O-N 3.37Å; S192-G194 PolarHBondContact O-N 3.5Å; G194-I197 PolarHBondContact O-N 3.2Å; G194-E198 PolarHBondContact O-N 2.81Å; G194-V210 WeakPolarHBondContact O-CG1 3.16Å
195	K	96	Very high	95.4	Very high	128 Å²	128	46 Å²	46	56%	0.557	24%	0.241	S	C	*	.	H	α-helix	trans	-66.2	-40.5	178.7	-66.4	171.7	-177.5	161.6	0	112.2	P190 D191 S192 I197 E198 K199	P190-K195 PolarHBondContact O-NZ 3.43Å; D191-K195 PolarHBondContact O-N 3.23Å; S192-K195 PolarHBondContact O-N 2.88Å; K195-I197 VanDerWaalsContact C-N 3.34Å; K195-E198 PolarHBondContact O-N 2.69Å; K195-K199 PolarHBondContact O-N 2.67Å
196	D	96.4	Very high	95.5	Very high	63 Å²	63	46.5 Å²	46.5	34%	0.337	25%	0.245	S	C	.	.	H	α-helix	trans	-66.1	-38.7	177.5	-73.4	-20.9	0	0	0	111.8	I171 S192 V193 K199 A200	I171-D196 HydrophobicContact CG2-CB 4.27Å; S192-D196 PolarHBondContact O-N 3.45Å; V193-D196 PolarHBondContact O-N 3.34Å; D196-K199 PolarHBondContact O-N 2.89Å; D196-A200 VanDerWaalsContact O-CB 3.26Å; D196-A200 WeakPolarHBondContact O-CB 3.44Å; D196-A200 PolarHBondContact O-N 3.43Å
197	I	96.8	Very high	95.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-46.8	173.1	-69.6	168.4	0	0	0	110.8	M168 I171 M172 V193 G194 K195 K199 A200 C201 V210	M168-I197 HydrophobicContact CB-CD1 4.5Å; M168-I197 HydrophobicContact CE-CG2 3.87Å; M168-I197 HydrophobicContact CG-CD1 4.37Å; M168-I197 HydrophobicContact CG-CG2 3.54Å; I171-I197 HydrophobicContact CB-CG1 4.08Å; I171-I197 HydrophobicContact CD1-CG1 4.01Å; I171-I197 HydrophobicContact CG2-CG1 3.95Å; M172-I197 HydrophobicContact CG-CD1 4.01Å; M172-I197 HydrophobicContact SD-CD1 4.44Å; V193-I197 HydrophobicContact CG1-CD1 4.1Å; V193-I197 WeakPolarHBondContact O-CD1 3.39Å; V193-I197 VanDerWaalsContact O-CG1 3.23Å; V193-I197 WeakPolarHBondContact O-CG1 3.4Å; V193-I197 PolarHBondContact O-N 2.7Å; V193-I197 VanDerWaalsContact O-N 3.09Å; G194-I197 PolarHBondContact O-N 3.2Å; K195-I197 VanDerWaalsContact C-N 3.34Å; I197-K199 PolarHBondContact O-N 3.33Å; I197-A200 PolarHBondContact O-N 3.48Å; I197-C201 VanDerWaalsContact O-CB 3.27Å; I197-C201 WeakPolarHBondContact O-CB 3.35Å; I197-C201 PolarHBondContact O-N 3.43Å; I197-C201 PolarHBondContact O-SG 3.34Å; I197-V210 HydrophobicContact CB-CG1 3.94Å; I197-V210 HydrophobicContact CG2-CG1 3.64Å
198	E	96.3	Very high	95.7	Very high	65 Å²	65	43.1 Å²	43.1	30%	0.304	23%	0.227	S	C	.	.	H	α-helix	trans	-56.8	-49.5	177.9	-173.5	177.8	173.7	0	0	110.9	G194 K195 A200 C201 Q202 V210	G194-E198 PolarHBondContact O-N 2.81Å; K195-E198 PolarHBondContact O-N 2.69Å; E198-A200 PolarHBondContact O-N 3Å; E198-C201 PolarHBondContact O-N 2.86Å; E198-Q202 PolarHBondContact O-N 2.81Å; E198-V210 HydrophobicContact CB-CB 4.35Å; E198-V210 HydrophobicContact CB-CG2 4.04Å; E198-V210 HydrophobicContact CG-CG2 4.38Å
199	K	96.9	Very high	95.7	Very high	171 Å²	171	45 Å²	45	74%	0.743	24%	0.237	S	C	*	.	H	α-helix	trans	-61.9	-45	179.1	-170	178.3	-178.4	179.9	0	112.3	K195 D196 I197 C201 Q202	K195-K199 PolarHBondContact O-N 2.67Å; D196-K199 PolarHBondContact O-N 2.89Å; I197-K199 PolarHBondContact O-N 3.33Å; K199-C201 PolarHBondContact O-N 3.44Å; K199-Q202 WeakPolarHBondContact O-CB 3.36Å
200	A	96.6	Very high	95.9	Very high	33 Å²	33	44.8 Å²	44.8	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-71.9	-27.7	-177.7	0	0	0	0	0	113.6	K167 I171 D196 I197 E198	K167-A200 PolarHBondContact NZ-O 3.33Å; I171-A200 HydrophobicContact CD1-CB 3.54Å; D196-A200 VanDerWaalsContact O-CB 3.26Å; D196-A200 WeakPolarHBondContact O-CB 3.44Å; D196-A200 PolarHBondContact O-N 3.43Å; I197-A200 PolarHBondContact O-N 3.48Å; E198-A200 PolarHBondContact O-N 3Å
201	C	96.6	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-86.4	-16.1	-179.9	-65.7	0	0	0	0	113.3	I164 I197 E198 K199 S203 I204 Y205 L207	I164-C201 HydrophobicContact CG1-CB 4.45Å; I197-C201 VanDerWaalsContact O-CB 3.27Å; I197-C201 WeakPolarHBondContact O-CB 3.35Å; I197-C201 PolarHBondContact O-N 3.43Å; I197-C201 PolarHBondContact O-SG 3.34Å; E198-C201 PolarHBondContact O-N 2.86Å; K199-C201 PolarHBondContact O-N 3.44Å; C201-S203 PolarHBondContact O-N 3.36Å; C201-S203 VanDerWaalsContact O-N 3.08Å; C201-I204 PolarHBondContact O-N 3.35Å; C201-Y205 PolarHBondContact O-N 2.71Å; C201-Y205 VanDerWaalsContact O-N 3.1Å; C201-Y205 VanDerWaalsContact O-O 3.05Å; C201-L207 HydrophobicContact CB-CD1 3.56Å; C201-L207 HydrophobicContact CB-CG 4.14Å
202	Q	95.1	Very high	96.4	Very high	100 Å²	100	43.9 Å²	43.9	47%	0.467	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-34.6	-178.8	-168.9	67.6	2.3	0	0	113.8	E198 K199 I204 P206	E198-Q202 PolarHBondContact O-N 2.81Å; K199-Q202 WeakPolarHBondContact O-CB 3.36Å; Q202-I204 VanDerWaalsContact C-N 3.32Å; Q202-I204 PolarHBondContact O-N 2.83Å; Q202-P206 VanDerWaalsContact OE1-CA 3.31Å
203	S	95.7	Very high	96.4	Very high	114 Å²	114	46.2 Å²	46.2	80%	0.797	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.8	177.4	-179.4	0	0	0	0	114.1	C201	C201-S203 PolarHBondContact O-N 3.36Å; C201-S203 VanDerWaalsContact O-N 3.08Å
204	I	96.5	Very high	96.5	Very high	32 Å²	32	48.9 Å²	48.9	16%	0.164	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-55.8	179.6	-58	165	0	0	0	109.2	Q160 Q163 I164 K167 C201 Q202	Q160-I204 HydrophobicContact CB-CG2 3.91Å; Q160-I204 HydrophobicContact CG-CG2 4.1Å; Q163-I204 HydrophobicContact CB-CD1 3.93Å; Q163-I204 HydrophobicContact CB-CG2 4.46Å; I164-I204 HydrophobicContact CD1-CG2 4.15Å; I164-I204 HydrophobicContact CG1-CB 4.15Å; I164-I204 HydrophobicContact CG1-CD1 4.13Å; I164-I204 HydrophobicContact CG1-CG2 3.93Å; K167-I204 HydrophobicContact CD-CD1 3.84Å; K167-I204 HydrophobicContact CG-CD1 4.49Å; C201-I204 PolarHBondContact O-N 3.35Å; Q202-I204 VanDerWaalsContact C-N 3.32Å; Q202-I204 PolarHBondContact O-N 2.83Å
205	Y	96.8	Very high	96.7	Very high	32 Å²	32	49 Å²	49	13%	0.125	24%	0.241	C	C	.	.	S	Bend	trans	-157.3	135.7	176.5	-159.5	-78.8	0	0	0	108.3	T143 S154 A156 C201 L207	T143-Y205 HydrophobicContact CG2-CD1 3.67Å; T143-Y205 HydrophobicContact CG2-CE1 3.69Å; T143-Y205 HydrophobicContact CG2-CG 4.45Å; S154-Y205 VanDerWaalsContact C-OH 3.23Å; S154-Y205 WeakPolarHBondContact CA-OH 3.28Å; S154-Y205 PolarHBondContact O-OH 3.03Å; A156-Y205 HydrophobicContact CB-CD2 4.04Å; A156-Y205 HydrophobicContact CB-CE2 4.36Å; A156-Y205 HydrophobicContact CB-CG 4.2Å; C201-Y205 PolarHBondContact O-N 2.71Å; C201-Y205 VanDerWaalsContact O-N 3.1Å; C201-Y205 VanDerWaalsContact O-O 3.05Å; Y205-L207 PolarHBondContact O-N 2.76Å
206	P	96.8	Very high	96.8	Very high	12 Å²	12	47.1 Å²	47.1	8%	0.078	23%	0.233	C	C	.	.			trans	-65	128.2	-179.6	27.9	-36.6	0	0	0	111.2	K144 Q202	K144-P206 HydrophobicContact CB-CB 4.2Å; K144-P206 WeakPolarHBondContact CB-O 3.36Å; K144-P206 PolarHBondContact N-O 2.86Å; Q202-P206 VanDerWaalsContact OE1-CA 3.31Å
207	L	97.4	Very high	96.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	163.5	177.6	-59.6	-177.1	0	0	0	110.9	I121 F142 T143 I164 M168 C201 Y205 V210	I121-L207 HydrophobicContact CD1-CD2 4.19Å; F142-L207 CarbonylContact O-C 3.6Å; F142-L207 VanDerWaalsContact O-CA 3.28Å; F142-L207 WeakPolarHBondContact O-CA 3.3Å; T143-L207 HydrophobicContact CG2-CD2 4.46Å; I164-L207 HydrophobicContact CD1-CD2 4.35Å; I164-L207 HydrophobicContact CG2-CD1 3.93Å; M168-L207 HydrophobicContact CE-CD1 4.1Å; C201-L207 HydrophobicContact CB-CD1 3.56Å; C201-L207 HydrophobicContact CB-CG 4.14Å; Y205-L207 PolarHBondContact O-N 2.76Å; L207-V210 HydrophobicContact CB-CG2 3.71Å; L207-V210 HydrophobicContact CD1-CG2 4.08Å
208	H	96.1	Very high	96.7	Very high	41 Å²	41	49 Å²	49	19%	0.19	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	164.5	166.2	70.1	-56.6	0	0	0	108.5	Q118 F142 T143 K144 V210	Q118-H208 PolarHBondContact OE1-CE1 2.82Å; Q118-H208 VanDerWaalsContact OE1-CE1 3.22Å; Q118-H208 PolarHBondContact OE1-NE2 2.84Å; F142-H208 VanDerWaalsContact CB-CE1 3.5Å; F142-H208 WeakPolarHBondContact CB-CE1 3.47Å; F142-H208 PolarHBondContact N-O 2.84Å; F142-H208 VanDerWaalsContact N-O 3.11Å; F142-H208 PolarHBondContact O-N 3.2Å; F142-H208 PolarHBondContact O-ND1 2.66Å; T143-H208 PolarHBondContact O-CE1 2.91Å; T143-H208 PolarHBondContact O-ND1 2.79Å; K144-H208 WeakPolarHBondContact CA-ND1 3.23Å; K144-H208 HydrophobicContact CB-CB 4.1Å; K144-H208 HydrophobicContact CD-CB 4.23Å; K144-H208 HydrophobicContact CG-CB 4.22Å; H208-V210 VanDerWaalsContact C-N 3.27Å; H208-V210 PolarHBondContact O-N 2.67Å
209	D	95.9	Very high	96.7	Very high	40 Å²	40	52.8 Å²	52.8	21%	0.214	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	50.7	49.3	179.8	-75.6	-44.6	0	0	0	111.7	K109 M113 F142 Y211	K109-D209 IonicContact NZ-OD1 2.71Å; M113-D209 HydrophobicContact CG-CB 4.21Å; M113-D209 HydrophobicContact SD-CB 3.85Å; F142-D209 HydrophobicContact CD2-CB 4.01Å; D209-Y211 HydrophobicContact CB-CD2 4.45Å; D209-Y211 HydrophobicContact CB-CE2 3.93Å
210	V	97.3	Very high	96.6	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.1	175.4	-175.4	0	0	0	0	108.8	V140 M168 G194 I197 E198 L207 H208	V140-V210 WeakPolarHBondContact O-CA 3.32Å; M168-V210 HydrophobicContact CE-CG1 4.46Å; G194-V210 WeakPolarHBondContact O-CG1 3.16Å; I197-V210 HydrophobicContact CB-CG1 3.94Å; I197-V210 HydrophobicContact CG2-CG1 3.64Å; E198-V210 HydrophobicContact CB-CB 4.35Å; E198-V210 HydrophobicContact CB-CG2 4.04Å; E198-V210 HydrophobicContact CG-CG2 4.38Å; L207-V210 HydrophobicContact CB-CG2 3.71Å; L207-V210 HydrophobicContact CD1-CG2 4.08Å; H208-V210 VanDerWaalsContact C-N 3.27Å; H208-V210 PolarHBondContact O-N 2.67Å
211	Y	97.3	Very high	96.5	Very high	41 Å²	41	48.3 Å²	48.3	16%	0.161	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.2	-177.8	-64.1	-73	0	0	0	111.7	F81 L105 M113 C139 V140 D191 D209 R213	F81-Y211 HydrophobicContact CE2-CD1 4.29Å; F81-Y211 AromaticContact CE2-CE1 3.99Å; F81-Y211 HydrophobicContact CE2-CE1 3.99Å; F81-Y211 AromaticContact CZ-CE1 3.81Å; F81-Y211 HydrophobicContact CZ-CE1 3.81Å; L105-Y211 HydrophobicContact CD1-CG 4.47Å; M113-Y211 HydrophobicContact CE-CD2 4.05Å; M113-Y211 HydrophobicContact SD-CD2 3.4Å; M113-Y211 WeakPolarHBondContact SD-CD2 3.29Å; M113-Y211 HydrophobicContact SD-CE2 3.38Å; M113-Y211 WeakPolarHBondContact SD-CE2 3.2Å; C139-Y211 WeakPolarHBondContact CA-O 3.44Å; V140-Y211 PolarHBondContact N-O 3.3Å; V140-Y211 PolarHBondContact O-N 3.33Å; D191-Y211 WeakPolarHBondContact OD2-CD1 3.39Å; D209-Y211 HydrophobicContact CB-CD2 4.45Å; D209-Y211 HydrophobicContact CB-CE2 3.93Å; Y211-R213 PolarHBondContact O-N 2.72Å
212	V	97.1	Very high	96.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	98.8	158.2	-176.8	0	0	0	0	107.7	M103 L137 F138 L188 V193 V215	M103-V212 HydrophobicContact CE-CB 4.49Å; M103-V212 HydrophobicContact CE-CG1 4.42Å; L137-V212 HydrophobicContact CD2-CG1 4.47Å; F138-V212 CarbonylContact O-C 3.47Å; F138-V212 WeakPolarHBondContact O-CA 3.13Å; L188-V212 HydrophobicContact CD2-CB 4.21Å; L188-V212 HydrophobicContact CD2-CG1 4.07Å; L188-V212 HydrophobicContact CD2-CG2 4.11Å; V193-V212 HydrophobicContact CB-CG2 4.15Å; V193-V212 HydrophobicContact CG1-CG2 4.18Å; V212-V215 HydrophobicContact CG1-CG2 3.65Å
213	R	96.6	Very high	96.2	Very high	86 Å²	86	57 Å²	57	33%	0.325	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	-42.8	-176.1	178	-179.6	171.7	168.8	1.1	112.3	L105 M110 E122 F138 V140 Y211	L105-R213 HydrophobicContact CD1-CB 4.42Å; L105-R213 HydrophobicContact CD1-CG 4.49Å; L105-R213 PolarHBondContact N-O 2.85Å; L105-R213 VanDerWaalsContact N-O 3.14Å; M110-R213 VanDerWaalsContact CE-NH1 3.3Å; M110-R213 HydrophobicContact SD-CG 4.18Å; E122-R213 IonicContact OE1-NH1 3.63Å; E122-R213 PolarHBondContact OE1-NH1 2.84Å; F138-R213 HydrophobicContact CB-CB 4.37Å; F138-R213 PolarHBondContact O-N 2.68Å; V140-R213 HydrophobicContact CG1-CB 4.05Å; Y211-R213 PolarHBondContact O-N 2.72Å
214	K	97.7	Very high	96	Very high	61 Å²	61	56.1 Å²	56.1	27%	0.265	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	140.1	-172.1	-168.3	167.2	-167.8	135.1	0	111.1	M103 D104 L137 F138 K216	M103-K214 CarbonylContact O-C 3.54Å; M103-K214 VanDerWaalsContact O-CA 3.32Å; M103-K214 WeakPolarHBondContact O-CA 3.47Å; M103-K214 WeakPolarHBondContact O-CG 3.11Å; D104-K214 IonicContact OD1-NZ 3.8Å; D104-K214 WeakPolarHBondContact OD2-CE 3.32Å; D104-K214 IonicContact OD2-NZ 2.76Å; D104-K214 PolarHBondContact OD2-NZ 2.9Å; L137-K214 CarbonylContact C-O 3.46Å; F138-K214 HydrophobicContact CB-CB 4.11Å; F138-K214 HydrophobicContact CD2-CB 3.84Å; F138-K214 HydrophobicContact CD2-CG 4.3Å; F138-K214 HydrophobicContact CG-CB 4.28Å; F138-K214 PolarHBondContact N-O 2.86Å; F138-K214 PolarHBondContact O-N 3.11Å; K214-K216 HydrophobicContact CD-CG 4.43Å; K214-K216 HydrophobicContact CG-CG 4.3Å
215	V	98	Very high	95.7	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.9	169.2	-177.7	0	0	0	0	107.9	F100 G102 M103 L135 R136 L137 L188 V212	F100-V215 HydrophobicContact CE1-CG1 4.12Å; F100-V215 HydrophobicContact CZ-CB 4.3Å; F100-V215 HydrophobicContact CZ-CG1 4.03Å; G102-V215 WeakPolarHBondContact CA-O 3.4Å; M103-V215 HydrophobicContact CB-CB 4.17Å; M103-V215 HydrophobicContact CB-CG2 4.33Å; M103-V215 HydrophobicContact CE-CG2 4.36Å; M103-V215 PolarHBondContact N-O 3.21Å; M103-V215 PolarHBondContact O-N 2.79Å; L135-V215 HydrophobicContact CB-CG1 4.49Å; L135-V215 HydrophobicContact CD2-CG1 4.45Å; R136-V215 WeakPolarHBondContact O-CA 3.27Å; L137-V215 HydrophobicContact CD2-CG2 4.24Å; L137-V215 HydrophobicContact CG-CG1 4.38Å; L137-V215 HydrophobicContact CG-CG2 4.18Å; L188-V215 HydrophobicContact CD1-CG2 3.97Å; L188-V215 HydrophobicContact CD2-CG2 4.32Å; V212-V215 HydrophobicContact CG1-CG2 3.65Å
216	K	98	Very high	95.5	Very high	89 Å²	89	59.7 Å²	59.7	39%	0.387	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.2	174.6	-61.7	-176.5	178.8	-178.5	0	109.5	L135 R136 F138 K214	L135-K216 CarbonylContact C-O 3.52Å; L135-K216 WeakPolarHBondContact CA-O 3.25Å; R136-K216 HydrophobicContact CB-CB 4.31Å; R136-K216 PolarHBondContact N-O 3.02Å; R136-K216 PolarHBondContact O-N 2.85Å; F138-K216 HydrophobicContact CE2-CD 3.96Å; F138-K216 HydrophobicContact CE2-CG 4.18Å; K214-K216 HydrophobicContact CD-CG 4.43Å; K214-K216 HydrophobicContact CG-CG 4.3Å
217	M	96.4	Very high	95.1	Very high	24 Å²	24	63.3 Å²	63.3	12%	0.118	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.6	166.2	-167.3	157.4	-80.1	0	0	109.5	F100 H101 Y133 L135 L181 K220	F100-M217 HydrophobicContact CD1-CE 3.97Å; F100-M217 HydrophobicContact CE1-CE 4.47Å; F100-M217 WeakPolarHBondContact O-CE 3.45Å; H101-M217 WeakPolarHBondContact O-CB 3.32Å; H101-M217 PolarHBondContact O-N 2.67Å; Y133-M217 HydrophobicContact CD1-CE 3.53Å; Y133-M217 HydrophobicContact CD1-SD 3.75Å; Y133-M217 HydrophobicContact CE1-CE 4.1Å; Y133-M217 HydrophobicContact CE1-SD 4.13Å; Y133-M217 HydrophobicContact CG-CE 4.21Å; L135-M217 HydrophobicContact CD2-CB 4.29Å; L135-M217 HydrophobicContact CD2-CE 3.66Å; L135-M217 HydrophobicContact CD2-CG 4.28Å; L181-M217 HydrophobicContact CD1-CE 3.99Å; L181-M217 HydrophobicContact CD2-CE 3.94Å; M217-K220 HydrophobicContact CG-CG 3.94Å; M217-K220 HydrophobicContact SD-CD 3.95Å; M217-K220 WeakPolarHBondContact SD-CE 3.16Å; M217-K220 HydrophobicContact SD-CG 3.49Å; M217-K220 WeakPolarHBondContact SD-CG 3.34Å
218	L	96.4	Very high	94.8	Very high	77 Å²	77	63.5 Å²	63.5	40%	0.403	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-45.7	178.9	-63	-177.4	0	0	0	111.2	L134 R136	L134-L218 HydrophobicContact CB-CB 4.27Å; L134-L218 HydrophobicContact CD2-CB 3.95Å; L134-L218 HydrophobicContact CD2-CD1 3.94Å; L134-L218 HydrophobicContact CG-CB 4.08Å; L134-L218 HydrophobicContact CG-CD1 4.08Å; L134-L218 WeakPolarHBondContact O-CB 3.32Å; L134-L218 PolarHBondContact O-N 2.82Å; R136-L218 HydrophobicContact CB-CD1 4.01Å; R136-L218 HydrophobicContact CB-CD2 4.24Å; R136-L218 HydrophobicContact CB-CG 4.07Å
219	K	95.9	Very high	94.7	Very high	146 Å²	146	63.1 Å²	63.1	64%	0.635	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	138	-179.3	-166.8	173.4	180	176.8	0	109.9	L134	L134-K219 HydrophobicContact CB-CB 3.82Å; L134-K219 HydrophobicContact CD2-CB 4.45Å; L134-K219 PolarHBondContact N-O 3.47Å; L134-K219 PolarHBondContact O-N 2.81Å
220	K	94.2	Very high	94.4	Very high	68 Å²	68	67.7 Å²	67.7	30%	0.296	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-103.5	145.5	170.7	-68.2	-175.7	165.2	-161.6	0	109.8	E89 Y133 M217	E89-K220 IonicContact OE1-NZ 3.23Å; E89-K220 PolarHBondContact OE1-NZ 2.81Å; Y133-K220 HydrophobicContact CD1-CB 4.35Å; Y133-K220 HydrophobicContact CD1-CG 4.06Å; Y133-K220 HydrophobicContact CE1-CB 4.24Å; Y133-K220 HydrophobicContact CE1-CG 4Å; M217-K220 HydrophobicContact CG-CG 3.94Å; M217-K220 HydrophobicContact SD-CD 3.95Å; M217-K220 WeakPolarHBondContact SD-CE 3.16Å; M217-K220 HydrophobicContact SD-CG 3.49Å; M217-K220 WeakPolarHBondContact SD-CG 3.34Å
221	P	94.3	Very high	94.1	Very high	41 Å²	41	68.4 Å²	68.4	27%	0.266	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-63.9	170.3	164.9	30.6	-33.6	0	0	0	110.2	Y133 F223	Y133-P221 VanDerWaalsContact CD1-CD 3.43Å; Y133-P221 HydrophobicContact CD1-CG 4.38Å; Y133-P221 HydrophobicContact CD2-CG 4.12Å; Y133-P221 VanDerWaalsContact CE1-CD 3.43Å; Y133-P221 HydrophobicContact CE1-CG 4.09Å; Y133-P221 HydrophobicContact CE2-CG 3.78Å; Y133-P221 HydrophobicContact CG-CG 4.4Å; P221-F223 PolarHBondContact O-N 3.3Å
222	K	93.1	Very high	93.8	Very high	188 Å²	188	66.5 Å²	66.5	82%	0.817	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-59.1	137.7	174.4	-173.2	176.7	178	-177.2	0	108.9	E224	K222-E224 PolarHBondContact O-N 3.38Å
223	F	92	Very high	92.9	Very high	95 Å²	95	69 Å²	69	42%	0.417	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-62.5	127.2	-179.6	177.6	-107.6	0	0	0	110.8	E89 D90 P221 L225 L228	E89-F223 HydrophobicContact CB-CD2 4.28Å; E89-F223 HydrophobicContact CB-CE2 3.76Å; D90-F223 HydrophobicContact CB-CZ 4.23Å; P221-F223 PolarHBondContact O-N 3.3Å; F223-L225 HydrophobicContact CE1-CB 4.39Å; F223-L225 HydrophobicContact CE1-CD1 4.24Å; F223-L225 HydrophobicContact CZ-CD1 3.92Å; F223-L228 HydrophobicContact CE2-CB 4.28Å; F223-L228 HydrophobicContact CE2-CD2 3.95Å; F223-L228 HydrophobicContact CZ-CD2 4.07Å
224	E	91.5	Very high	90.9	Very high	95 Å²	95	69 Å²	69	44%	0.444	35%	0.349	S	S	.	.			trans	-128.4	116.3	176.7	-73.8	172.4	-166.4	0	0	108.4	K222 G226 K227 L228	K222-E224 PolarHBondContact O-N 3.38Å; E224-G226 VanDerWaalsContact C-N 3.28Å; E224-G226 PolarHBondContact O-N 3.38Å; E224-K227 HydrophobicContact CB-CB 4.48Å; E224-K227 HydrophobicContact CB-CD 4.4Å; E224-K227 HydrophobicContact CB-CG 4.46Å; E224-K227 PolarHBondContact O-N 2.87Å; E224-K227 IonicContact OE1-NZ 3.9Å; E224-K227 WeakPolarHBondContact OE2-CD 3.47Å; E224-K227 WeakPolarHBondContact OE2-CE 3.23Å; E224-K227 IonicContact OE2-NZ 2.93Å; E224-K227 PolarHBondContact OE2-NZ 3.28Å; E224-L228 PolarHBondContact O-N 3.45Å
225	L	91	Very high	88.3	Confident	84 Å²	84	69.8 Å²	69.8	44%	0.44	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-38.5	-175.6	-171.3	67.4	0	0	0	112.1	D90 F223 K227 L228 M229	D90-L225 HydrophobicContact CB-CD1 4.24Å; D90-L225 VanDerWaalsContact OD2-CD1 3.3Å; D90-L225 WeakPolarHBondContact OD2-CD1 3.19Å; F223-L225 HydrophobicContact CE1-CB 4.39Å; F223-L225 HydrophobicContact CE1-CD1 4.24Å; F223-L225 HydrophobicContact CZ-CD1 3.92Å; L225-K227 PolarHBondContact O-N 3.38Å; L225-L228 PolarHBondContact O-N 3.2Å; L225-L228 VanDerWaalsContact O-N 3.17Å; L225-M229 HydrophobicContact CD1-CE 3.35Å; L225-M229 HydrophobicContact CG-CE 3.8Å; L225-M229 HydrophobicContact CG-CG 4.5Å; L225-M229 WeakPolarHBondContact O-CG 3.17Å; L225-M229 PolarHBondContact O-N 2.84Å
226	G	91.9	Very high	85.4	Confident	55 Å²	55	72.6 Å²	72.6	57%	0.567	40%	0.404	S	S	*	.	H	α-helix	trans	-58.6	-45	-179.9	0	0	0	0	0	113.2	E224 L228 M229 E230	E224-G226 VanDerWaalsContact C-N 3.28Å; E224-G226 PolarHBondContact O-N 3.38Å; G226-L228 VanDerWaalsContact C-N 3.32Å; G226-L228 PolarHBondContact O-N 3.15Å; G226-M229 PolarHBondContact O-N 3.03Å; G226-E230 PolarHBondContact O-N 3.22Å
227	K	90.1	Very high	82.4	Confident	89 Å²	89	73.6 Å²	73.6	39%	0.387	42%	0.422	S	S	.	.	H	α-helix	trans	-63	-37.8	176.3	-75.7	-178.7	175.5	144	0	112.3	E224 L225 E230 L231	E224-K227 HydrophobicContact CB-CB 4.48Å; E224-K227 HydrophobicContact CB-CD 4.4Å; E224-K227 HydrophobicContact CB-CG 4.46Å; E224-K227 PolarHBondContact O-N 2.87Å; E224-K227 IonicContact OE1-NZ 3.9Å; E224-K227 WeakPolarHBondContact OE2-CD 3.47Å; E224-K227 WeakPolarHBondContact OE2-CE 3.23Å; E224-K227 IonicContact OE2-NZ 2.93Å; E224-K227 PolarHBondContact OE2-NZ 3.28Å; L225-K227 PolarHBondContact O-N 3.38Å; K227-E230 PolarHBondContact O-N 3Å; K227-L231 WeakPolarHBondContact O-CG 3.42Å; K227-L231 PolarHBondContact O-N 3.04Å; K227-L231 VanDerWaalsContact O-N 3.14Å
228	L	91.2	Very high	79.5	Confident	3 Å²	3	78.6 Å²	78.6	2%	0.016	46%	0.455	C	S	.	.	H	α-helix	trans	-66.1	-41.1	175.6	-175.5	67.7	0	0	0	111.4	E89 D90 L97 N99 F223 E224 L225 G226 E230 L231 H232	E89-L228 HydrophobicContact CB-CD2 4.01Å; D90-L228 HydrophobicContact CB-CD2 3.61Å; L97-L228 HydrophobicContact CB-CD2 3.98Å; L97-L228 HydrophobicContact CB-CG 4.47Å; L97-L228 HydrophobicContact CD1-CD2 4.31Å; N99-L228 HydrophobicContact CB-CD1 4.15Å; F223-L228 HydrophobicContact CE2-CB 4.28Å; F223-L228 HydrophobicContact CE2-CD2 3.95Å; F223-L228 HydrophobicContact CZ-CD2 4.07Å; E224-L228 PolarHBondContact O-N 3.45Å; L225-L228 PolarHBondContact O-N 3.2Å; L225-L228 VanDerWaalsContact O-N 3.17Å; G226-L228 VanDerWaalsContact C-N 3.32Å; G226-L228 PolarHBondContact O-N 3.15Å; L228-E230 VanDerWaalsContact C-N 3.32Å; L228-E230 PolarHBondContact O-N 2.84Å; L228-L231 WeakPolarHBondContact O-CB 3.34Å; L228-L231 PolarHBondContact O-N 3.45Å; L228-H232 PolarHBondContact O-CD2 3.27Å; L228-H232 PolarHBondContact O-N 2.92Å; L228-H232 VanDerWaalsContact O-N 3.15Å
229	M	92.4	Very high	76.5	Confident	34 Å²	34	81.3 Å²	81.3	17%	0.167	48%	0.475	C	S	.	.	H	α-helix	trans	-64.8	-37.6	177.3	-63.8	-54.2	145	0	0	112	Q92 L97 L225 G226 L231 H232 G233	Q92-M229 HydrophobicContact CG-CE 4.39Å; Q92-M229 PolarHBondContact NE2-SD 3.4Å; L97-M229 HydrophobicContact CD1-CE 3.45Å; L97-M229 VanDerWaalsContact CD1-CE 3.45Å; L97-M229 HydrophobicContact CD1-SD 3.82Å; L225-M229 HydrophobicContact CD1-CE 3.35Å; L225-M229 HydrophobicContact CG-CE 3.8Å; L225-M229 HydrophobicContact CG-CG 4.5Å; L225-M229 WeakPolarHBondContact O-CG 3.17Å; L225-M229 PolarHBondContact O-N 2.84Å; G226-M229 PolarHBondContact O-N 3.03Å; M229-L231 VanDerWaalsContact C-N 3.34Å; M229-L231 PolarHBondContact O-N 2.79Å; M229-H232 CarbonylContact O-C 3.55Å; M229-H232 PolarHBondContact O-N 2.88Å; M229-H232 VanDerWaalsContact O-N 3.11Å; M229-G233 PolarHBondContact O-N 3.35Å
230	E	90.6	Very high	73.3	Confident	136 Å²	136	80.5 Å²	80.5	64%	0.636	48%	0.482	S	S	*	.	H	α-helix	trans	-60.8	-42.3	174	-170.7	-176.6	168.9	0	0	111.9	G226 K227 L228 H232 G233	G226-E230 PolarHBondContact O-N 3.22Å; K227-E230 PolarHBondContact O-N 3Å; L228-E230 VanDerWaalsContact C-N 3.32Å; L228-E230 PolarHBondContact O-N 2.84Å; E230-H232 PolarHBondContact O-N 2.9Å; E230-G233 PolarHBondContact O-N 2.59Å
231	L	90.5	Very high	70.3	Confident	22 Å²	22	82 Å²	82	12%	0.115	51%	0.507	C	S	.	.	H	α-helix	trans	-64.9	-25.9	174.8	-70.9	174.2	0	0	0	113.2	A37 K182 K227 L228 M229	A37-L231 VanDerWaalsContact CB-O 3.25Å; A37-L231 WeakPolarHBondContact CB-O 3.4Å; A37-L231 PolarHBondContact N-O 2.66Å; K182-L231 HydrophobicContact CB-CD2 4.01Å; K182-L231 HydrophobicContact CD-CD2 4.34Å; K182-L231 HydrophobicContact CG-CD2 4.25Å; K227-L231 WeakPolarHBondContact O-CG 3.42Å; K227-L231 PolarHBondContact O-N 3.04Å; K227-L231 VanDerWaalsContact O-N 3.14Å; L228-L231 WeakPolarHBondContact O-CB 3.34Å; L228-L231 PolarHBondContact O-N 3.45Å; M229-L231 VanDerWaalsContact C-N 3.34Å; M229-L231 PolarHBondContact O-N 2.79Å
232	H	91.1	Very high	67.3	Low	1 Å²	1	89.6 Å²	89.6	1%	0.005	54%	0.535	C	S	.	.	H	α-helix	trans	-96.3	-9	179.6	-83.9	-84.2	0	0	0	114.1	K34 A35 R42 T98 L228 M229 E230 E234	K34-H232 PolarHBondContact O-CE1 3.27Å; A35-H232 VanDerWaalsContact C-CE1 3.42Å; A35-H232 PolarHBondContact O-CE1 3.2Å; A35-H232 VanDerWaalsContact O-CE1 3.25Å; A35-H232 PolarHBondContact O-ND1 3.03Å; R42-H232 PolarHBondContact NH2-ND1 3.1Å; R42-H232 PolarHBondContact NH2-O 3Å; T98-H232 PolarHBondContact N-NE2 3.16Å; T98-H232 PolarHBondContact O-NE2 3.22Å; L228-H232 PolarHBondContact O-CD2 3.27Å; L228-H232 PolarHBondContact O-N 2.92Å; L228-H232 VanDerWaalsContact O-N 3.15Å; M229-H232 CarbonylContact O-C 3.55Å; M229-H232 PolarHBondContact O-N 2.88Å; M229-H232 VanDerWaalsContact O-N 3.11Å; E230-H232 PolarHBondContact O-N 2.9Å; H232-E234 PolarHBondContact O-N 3.13Å; H232-E234 VanDerWaalsContact O-N 3.14Å
233	G	77.4	Confident	64.3	Low	52 Å²	52	87.3 Å²	87.3	54%	0.536	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	6	175	0	0	0	0	0	115.3	M229 E230 G235	M229-G233 PolarHBondContact O-N 3.35Å; E230-G233 PolarHBondContact O-N 2.59Å; G233-G235 PolarHBondContact O-N 2.88Å; G233-G235 VanDerWaalsContact O-N 3.11Å
234	E	55.7	Low	61.3	Low	86 Å²	86	88 Å²	88	40%	0.402	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	26.1	-178	-81.8	165.7	-152.1	0	0	113.1	R42 H232	R42-E234 IonicContact CZ-OE1 3.65Å; R42-E234 VanDerWaalsContact CZ-OE1 3.23Å; R42-E234 IonicContact NH1-OE1 3.51Å; R42-E234 PolarHBondContact NH1-OE1 3.49Å; R42-E234 IonicContact NH2-OE1 2.72Å; R42-E234 PolarHBondContact NH2-OE1 3.2Å; H232-E234 PolarHBondContact O-N 3.13Å; H232-E234 VanDerWaalsContact O-N 3.14Å
235	G	42.4	Very low	58.5	Low	78 Å²	78	86.8 Å²	86.8	80%	0.804	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	7.7	173.1	0	0	0	0	0	114.8	G233	G233-G235 PolarHBondContact O-N 2.88Å; G233-G235 VanDerWaalsContact O-N 3.11Å
236	G	37	Very low	55.5	Low	61 Å²	61	90.4 Å²	90.4	63%	0.629	59%	0.587	S	S	*	*	S	Bend	trans	-135.8	11	-167.2	0	0	0	0	0	117.3
237	S	34.5	Very low	53	Low	110 Å²	110	95.2 Å²	95.2	77%	0.769	60%	0.599	S	S	*	*	S	Bend	trans	-128.9	54.7	177.1	85.4	0	0	0	0	113.9
238	T	35.8	Very low	50.3	Low	130 Å²	130	97.2 Å²	97.2	80%	0.798	62%	0.619	S	S	*	*	S	Bend	trans	-147.3	117.2	147.5	-38.2	0	0	0	0	107.7
239	T	33.2	Very low	48.2	Very low	134 Å²	134	101.1 Å²	101.1	82%	0.822	66%	0.66	S	S	*	*	S	Bend	trans	69.8	61.6	173.4	48.8	0	0	0	0	119.9
240	T	30.3	Very low	45.5	Very low	129 Å²	129	103.8 Å²	103.8	79%	0.791	69%	0.688	S	S	*	*			trans	-144.2	83.8	139.8	42.9	0	0	0	0	109.1	K242	T240-K242 PolarHBondContact O-N 2.81Å
241	A	31.1	Very low	43.2	Very low	98 Å²	98	107.5 Å²	107.5	81%	0.81	70%	0.701	S	S	*	*			trans	-65.6	121.4	161.6	0	0	0	0	0	107.6	V243	A241-V243 PolarHBondContact O-N 2.89Å
242	K	30	Very low	41.1	Very low	201 Å²	201	112.7 Å²	112.7	87%	0.874	73%	0.734	S	S	*	*			trans	-56.2	116.8	168.6	-81.7	175.6	171.3	177.8	0	108.7	T240 S244	T240-K242 PolarHBondContact O-N 2.81Å; K242-S244 PolarHBondContact O-N 3.03Å
243	V	29.9	Very low	38.8	Very low	141 Å²	141	121.7 Å²	121.7	86%	0.855	78%	0.776	S	S	*	*			trans	-74.6	97.2	159.3	179	0	0	0	0	106.2	A241	A241-V243 PolarHBondContact O-N 2.89Å
244	S	30.1	Very low	37.5	Very low	108 Å²	108	129.5 Å²	129.5	76%	0.755	79%	0.789	S	S	*	*			trans	-73.1	119	154.8	47.2	0	0	0	0	106.8	K242 D246	K242-S244 PolarHBondContact O-N 3.03Å; S244-D246 PolarHBondContact O-N 2.73Å
245	G	32.4	Very low	37.5	Very low	70 Å²	70	129.7 Å²	129.7	72%	0.722	81%	0.805	S	S	*	*			trans	-61	121	169	0	0	0	0	0	109.3
246	D	28.9	Very low	37.7	Very low	161 Å²	161	134.4 Å²	134.4	86%	0.861	81%	0.812	S	S	*	*			trans	-151.2	132	142.5	-121.8	-11.1	0	0	0	108.6	S244 T248	S244-D246 PolarHBondContact O-N 2.73Å; D246-T248 PolarHBondContact O-N 2.93Å
247	D	37.8	Very low	38.8	Very low	156 Å²	156	135.3 Å²	135.3	83%	0.834	82%	0.822	S	S	*	*			trans	-74.9	108.6	-171.4	-163.6	7.8	0	0	0	109.4
248	T	34.4	Very low	40.1	Very low	131 Å²	131	138.8 Å²	138.8	80%	0.804	82%	0.819	S	S	*	*			trans	-159.9	114.6	157	33.4	0	0	0	0	109.8	D246 A250	D246-T248 PolarHBondContact O-N 2.93Å; T248-A250 PolarHBondContact O-N 2.79Å
249	G	46.7	Very low	41.4	Very low	85 Å²	85	141.2 Å²	141.2	88%	0.876	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-61.2	116.3	177.8	0	0	0	0	0	112.4
250	A	36.8	Very low	42.7	Very low	90 Å²	90	139.4 Å²	139.4	74%	0.744	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-95	119	170.5	0	0	0	0	0	110.2	T248 V252	T248-A250 PolarHBondContact O-N 2.79Å; A250-V252 PolarHBondContact O-N 2.83Å
251	K	42	Very low	44.5	Very low	213 Å²	213	138.6 Å²	138.6	93%	0.926	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-57.2	123.2	169	-110	176.8	173.8	179.1	0	109.5
252	V	44.9	Very low	46.1	Very low	131 Å²	131	141.6 Å²	141.6	79%	0.794	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-87.4	118.6	166.3	-178	0	0	0	0	107.7	A250 R254	A250-V252 PolarHBondContact O-N 2.83Å; V252-R254 PolarHBondContact O-N 2.72Å
253	E	42.8	Very low	47.4	Very low	190 Å²	190	140.9 Å²	140.9	89%	0.888	81%	0.809	S	S	*	*			trans	-65.5	115.7	167.3	-73.4	-172.3	156.9	0	0	108.9
254	R	50.1	Low	48.5	Very low	217 Å²	217	143.2 Å²	143.2	82%	0.819	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-76.7	128.1	167.6	-86.2	-177.7	-179.4	123.2	1.1	108.1	V252	V252-R254 PolarHBondContact O-N 2.72Å
255	A	56.3	Low	49.5	Very low	89 Å²	89	144.5 Å²	144.5	74%	0.736	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-63	133.4	166.9	0	0	0	0	0	109.7	G257	A255-G257 PolarHBondContact O-N 2.92Å
256	D	47.4	Very low	49.9	Very low	177 Å²	177	151.6 Å²	151.6	95%	0.947	84%	0.844	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	117.1	178.8	-73.7	-39.5	0	0	0	110.8
257	G	58.9	Low	51	Low	81 Å²	81	151.2 Å²	151.2	84%	0.835	84%	0.843	S	S	*	*	T	Hydrogen-bonded Turn	trans	128.1	9.2	170.6	0	0	0	0	0	117.9	A255	A255-G257 PolarHBondContact O-N 2.92Å
258	Y	62.2	Low	51.7	Low	182 Å²	182	150.9 Å²	150.9	71%	0.714	84%	0.843	S	S	*	*			trans	-97.1	101.7	173.9	-168.5	-97.7	0	0	0	112.1	P260	Y258-P260 HydrophobicContact CE1-CB 4.46Å
259	E	63	Low	52.6	Low	182 Å²	182	152 Å²	152	85%	0.85	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-86.9	124.2	165.4	-75.2	-173.2	162.3	0	0	110.2
260	P	61.2	Low	53	Low	96 Å²	96	155.9 Å²	155.9	62%	0.623	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-74.6	145.7	174.4	29.1	-31.7	0	0	0	111.4	Y258	Y258-P260 HydrophobicContact CE1-CB 4.46Å
261	P	68.4	Low	54	Low	111 Å²	111	160.1 Å²	160.1	72%	0.721	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-66.9	135.7	-177.8	25.9	-32.9	0	0	0	112.2	Q263	P261-Q263 PolarHBondContact O-N 2.9Å
262	I	64.9	Low	54.8	Low	162 Å²	162	156.5 Å²	156.5	83%	0.831	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-69.6	121.3	174.8	-58.7	167.4	0	0	0	108.2	E264	I262-E264 PolarHBondContact O-N 3.07Å
263	Q	56	Low	55.5	Low	185 Å²	185	158.4 Å²	158.4	86%	0.864	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-77.7	118.6	170.2	-76.6	-178.5	-16	0	0	109.1	P261	P261-Q263 PolarHBondContact O-N 2.9Å
264	E	52.6	Low	56.5	Low	190 Å²	190	155.9 Å²	155.9	89%	0.888	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-72.2	127.3	164.3	-69.6	-174	166.4	0	0	109	I262	I262-E264 PolarHBondContact O-N 3.07Å
265	T	52	Low	57	Low	136 Å²	136	150.8 Å²	150.8	83%	0.834	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-66	128	179.9	47.4	0	0	0	0	112.1
266	V	41.5	Very low	57.1	Low	219 Å²	219	156.5 Å²	156.5	100%	1.327	86%	0.858	S	S	*	*			trans	-141.1	0	145.9	-176.8	0	0	0	0	108.5

Retrieved 266 of 266 residues in 55.1 ms (Link to these results)

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