A0A061IPM3_CRIGR Loading...

Proteasome subunit alpha type

Component of the 20S core proteasome complex involved in the proteolytic degradation of most intracellular proteins. This complex plays numerous essential roles within the cell by associating with different regulatory particles. Associated with two 19S regulatory particles, forms the 26S proteasome and thus participates in the ATP-dependent degradation of ubiquitinated proteins. The 26S proteasome plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins that could impair cellular functions, and by removing proteins whose functions are no longer required. Associated with the PA200 or PA28, the 20S proteasome mediates ubiquitin-independent protein degradation. This type of proteolysis is required in several pathways including spermatogenesis (20S-PA200 complex) or generation of a subset of MHC class I-presented antigenic peptides (20S-PA28 complex).

AlphaFold DB (Q9Z2U1), UniProt , Accession A0A061IPM3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Psma5, Length 241 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	52.1	Low	71.2	Confident	237 Å²	237	107.7 Å²	107.7	100%	1.167	51%	0.514	S	S	*	.				0	110	0	-166.2	171.1	-160.4	0	0	105.1	L3	M1-L3 PolarHBondContact O-N 3.49Å
2	F	60	Low	72.5	Confident	182 Å²	182	101.3 Å²	101.3	80%	0.798	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-65.2	126.9	175.6	-66.9	-80.1	0	0	0	107.1
3	L	56.6	Low	73.4	Confident	86 Å²	86	101.5 Å²	101.5	45%	0.45	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-60.2	146	174.9	-64.8	168.5	0	0	0	108	M1 E7 Y8	M1-L3 PolarHBondContact O-N 3.49Å; L3-E7 VanDerWaalsContact CA-OE2 3.25Å; L3-E7 WeakPolarHBondContact CA-OE2 3.24Å; L3-E7 HydrophobicContact CB-CB 3.92Å; L3-E7 WeakPolarHBondContact CB-OE2 3.21Å; L3-E7 HydrophobicContact CD1-CB 4.49Å; L3-E7 HydrophobicContact CD2-CB 4.46Å; L3-E7 WeakPolarHBondContact CD2-OE2 3.41Å; L3-Y8 HydrophobicContact CB-CD2 4.23Å; L3-Y8 HydrophobicContact CB-CE2 3.51Å; L3-Y8 HydrophobicContact CD1-CE1 4.05Å; L3-Y8 HydrophobicContact CD1-CE2 4.45Å
4	T	63.1	Low	74.5	Confident	83 Å²	83	98.4 Å²	98.4	51%	0.509	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-69	157.5	177.1	54.4	0	0	0	0	109.8	S6 E7	T4-S6 PolarHBondContact O-N 3.03Å; T4-S6 PolarHBondContact OG1-OG 3.41Å; T4-S6 VanDerWaalsContact OG1-OG 3.06Å; T4-E7 PolarHBondContact N-OE2 3Å; T4-E7 VanDerWaalsContact N-OE2 3.09Å; T4-E7 PolarHBondContact O-N 3.27Å
5	R	66.9	Low	75.5	Confident	151 Å²	151	100.1 Å²	100.1	57%	0.57	49%	0.486	S	S	*	.	H	α-helix	trans	-47.1	-36.2	179.5	-175.9	179.1	175	-177	-1.4	112.8	E7 Y8 F22	R5-E7 PolarHBondContact O-N 3.24Å; R5-Y8 PolarHBondContact O-N 2.87Å; R5-F22 HydrophobicContact CG-CD2 4.46Å; R5-F22 HydrophobicContact CG-CE2 3.81Å; R5-F22 HydrophobicContact CG-CZ 4.05Å
6	S	69.7	Low	76.4	Confident	67 Å²	67	94.3 Å²	94.3	47%	0.469	46%	0.459	S	S	.	.	H	α-helix	trans	-72	-1.8	-179.7	57.1	0	0	0	0	116.2	T4 D9	T4-S6 PolarHBondContact O-N 3.03Å; T4-S6 PolarHBondContact OG1-OG 3.41Å; T4-S6 VanDerWaalsContact OG1-OG 3.06Å; S6-D9 WeakPolarHBondContact CA-OD1 3.2Å
7	E	78.5	Confident	77.2	Confident	80 Å²	80	92.7 Å²	92.7	37%	0.374	46%	0.457	S	S	.	.	H	α-helix	trans	-100.4	-27.3	175.3	-73.5	176	132.1	0	0	111.9	L3 T4 R5	L3-E7 VanDerWaalsContact CA-OE2 3.25Å; L3-E7 WeakPolarHBondContact CA-OE2 3.24Å; L3-E7 HydrophobicContact CB-CB 3.92Å; L3-E7 WeakPolarHBondContact CB-OE2 3.21Å; L3-E7 HydrophobicContact CD1-CB 4.49Å; L3-E7 HydrophobicContact CD2-CB 4.46Å; L3-E7 WeakPolarHBondContact CD2-OE2 3.41Å; T4-E7 PolarHBondContact N-OE2 3Å; T4-E7 VanDerWaalsContact N-OE2 3.09Å; T4-E7 PolarHBondContact O-N 3.27Å; R5-E7 PolarHBondContact O-N 3.24Å
8	Y	83.1	Confident	78	Confident	42 Å²	42	95.1 Å²	95.1	17%	0.165	47%	0.467	C	S	.	.	H	α-helix	trans	-80.5	-20.7	177.6	-68.2	-73.3	0	0	0	113.3	L3 R5 R10 T14 F15 P17	L3-Y8 HydrophobicContact CB-CD2 4.23Å; L3-Y8 HydrophobicContact CB-CE2 3.51Å; L3-Y8 HydrophobicContact CD1-CE1 4.05Å; L3-Y8 HydrophobicContact CD1-CE2 4.45Å; R5-Y8 PolarHBondContact O-N 2.87Å; Y8-R10 VanDerWaalsContact C-N 3.27Å; Y8-R10 PolarHBondContact O-N 3.06Å; Y8-T14 HydrophobicContact CD1-CG2 4.16Å; Y8-F15 WeakPolarHBondContact CD1-O 3.45Å; Y8-P17 HydrophobicContact CD2-CG 4.39Å; Y8-P17 HydrophobicContact CE1-CG 4.22Å; Y8-P17 HydrophobicContact CE2-CG 3.54Å; Y8-P17 VanDerWaalsContact CZ-CD 3.44Å; Y8-P17 VanDerWaalsContact CZ-CG 3.46Å; Y8-P17 WeakPolarHBondContact OH-CG 3.24Å
9	D	83.9	Confident	78.7	Confident	35 Å²	35	92.7 Å²	92.7	19%	0.187	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	2.2	177.1	65.8	-2.6	0	0	0	113.8	S6 F22 Q23 Y26	S6-D9 WeakPolarHBondContact CA-OD1 3.2Å; D9-F22 HydrophobicContact CB-CB 3.85Å; D9-F22 HydrophobicContact CB-CD2 4.02Å; D9-F22 HydrophobicContact CB-CG 4.42Å; D9-Q23 PolarHBondContact O-NE2 3.45Å; D9-Y26 HydrophobicContact CB-CE2 3.73Å; D9-Y26 PolarHBondContact OD2-OH 3.4Å
10	R	84.5	Confident	79.4	Confident	203 Å²	203	93.3 Å²	93.3	77%	0.766	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-30.3	176.9	-66	-173.8	179.1	-174.1	0.3	113.9	Y8	Y8-R10 VanDerWaalsContact C-N 3.27Å; Y8-R10 PolarHBondContact O-N 3.06Å
11	G	84.8	Confident	80	Confident	19 Å²	19	90.8 Å²	90.8	20%	0.196	45%	0.454	C	S	.	.	S	Bend	trans	-100.2	138.8	177.7	0	0	0	0	0	110.9	N13	G11-N13 VanDerWaalsContact C-N 3.31Å
12	V	86.6	Confident	82	Confident	30 Å²	30	79.9 Å²	79.9	18%	0.182	40%	0.4	C	S	.	.	S	Bend	trans	-73.7	-25.8	177.8	-63.8	0	0	0	0	112.9	Q23 F123 S134 R135	V12-Q23 HydrophobicContact CB-CB 4.48Å; V12-Q23 HydrophobicContact CB-CG 4.49Å; V12-Q23 HydrophobicContact CG1-CB 4.35Å; V12-Q23 HydrophobicContact CG1-CG 4.06Å; V12-F123 HydrophobicContact CB-CD2 4.22Å; V12-F123 HydrophobicContact CG2-CD2 4.34Å; V12-F123 WeakPolarHBondContact O-CE2 3.41Å; V12-S134 WeakPolarHBondContact CG1-O 3.37Å; V12-R135 HydrophobicContact CG1-CB 4.32Å
13	N	84.1	Confident	83.7	Confident	105 Å²	105	73.6 Å²	73.6	56%	0.561	37%	0.373	S	S	*	.	S	Bend	trans	-112.5	12.4	-179.9	59.9	-2	0	0	0	113	G11	G11-N13 VanDerWaalsContact C-N 3.31Å
14	T	88.8	Confident	85.5	Confident	57 Å²	57	70.1 Å²	70.1	35%	0.35	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-90	117.9	-179.9	-58.8	0	0	0	0	110.5	Y8	Y8-T14 HydrophobicContact CD1-CG2 4.16Å
15	F	90.1	Very high	87	Confident	125 Å²	125	68.5 Å²	68.5	55%	0.548	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-73.2	138.4	171.5	-73	-83.9	0	0	0	111.7	Y8 G19 L21	Y8-F15 WeakPolarHBondContact CD1-O 3.45Å; F15-G19 WeakPolarHBondContact CD1-O 3.45Å; F15-L21 HydrophobicContact CD1-CD2 3.93Å; F15-L21 HydrophobicContact CD1-CG 3.99Å; F15-L21 HydrophobicContact CD2-CD2 4.15Å; F15-L21 HydrophobicContact CE1-CD1 4.15Å; F15-L21 HydrophobicContact CE1-CD2 3.96Å; F15-L21 HydrophobicContact CE1-CG 3.69Å; F15-L21 HydrophobicContact CE2-CD2 4.16Å; F15-L21 HydrophobicContact CG-CD2 4.05Å; F15-L21 HydrophobicContact CZ-CD1 4.09Å; F15-L21 HydrophobicContact CZ-CD2 4.07Å; F15-L21 HydrophobicContact CZ-CG 4.04Å
16	S	90.1	Very high	88.4	Confident	7 Å²	7	65.3 Å²	65.3	5%	0.049	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-70.5	165.2	164.4	57.7	0	0	0	0	111.7	E18 G19 R20 F22	S16-E18 PolarHBondContact O-N 3.18Å; S16-E18 VanDerWaalsContact O-N 3.11Å; S16-G19 PolarHBondContact O-N 2.77Å; S16-R20 PolarHBondContact N-O 2.83Å; S16-R20 WeakPolarHBondContact OG-CA 3.42Å; S16-R20 VanDerWaalsContact OG-CB 3.3Å; S16-R20 WeakPolarHBondContact OG-CB 3.32Å; S16-R20 PolarHBondContact OG-N 2.7Å; S16-R20 PolarHBondContact OG-O 2.79Å; S16-F22 VanDerWaalsContact CB-CZ 3.45Å
17	P	90	Very high	89.6	Confident	67 Å²	67	62.5 Å²	62.5	44%	0.435	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24	174.9	-25.4	37.1	0	0	0	113.5	Y8 G19	Y8-P17 HydrophobicContact CD2-CG 4.39Å; Y8-P17 HydrophobicContact CE1-CG 4.22Å; Y8-P17 HydrophobicContact CE2-CG 3.54Å; Y8-P17 VanDerWaalsContact CZ-CD 3.44Å; Y8-P17 VanDerWaalsContact CZ-CG 3.46Å; Y8-P17 WeakPolarHBondContact OH-CG 3.24Å; P17-G19 VanDerWaalsContact C-N 3.31Å
18	E	91.3	Very high	90.5	Very high	135 Å²	135	61.6 Å²	61.6	63%	0.631	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	1.4	175.8	-58.9	73.6	-150.1	0	0	113.5	S16 R20	S16-E18 PolarHBondContact O-N 3.18Å; S16-E18 VanDerWaalsContact O-N 3.11Å; E18-R20 HydrophobicContact CB-CG 4.21Å
19	G	91.5	Very high	91.1	Very high	51 Å²	51	64.3 Å²	64.3	53%	0.526	32%	0.323	S	S	.	.	S	Bend	trans	79	24.1	179.9	0	0	0	0	0	114.4	F15 S16 P17	F15-G19 WeakPolarHBondContact CD1-O 3.45Å; S16-G19 PolarHBondContact O-N 2.77Å; P17-G19 VanDerWaalsContact C-N 3.31Å
20	R	92.7	Very high	91.7	Very high	104 Å²	104	63.5 Å²	63.5	39%	0.392	32%	0.321	S	S	.	.			trans	-106.4	146.6	-177.5	-51.9	165	64.7	-170.9	4.4	112.1	S16 E18 F22 E25	S16-R20 PolarHBondContact N-O 2.83Å; S16-R20 WeakPolarHBondContact OG-CA 3.42Å; S16-R20 VanDerWaalsContact OG-CB 3.3Å; S16-R20 WeakPolarHBondContact OG-CB 3.32Å; S16-R20 PolarHBondContact OG-N 2.7Å; S16-R20 PolarHBondContact OG-O 2.79Å; E18-R20 HydrophobicContact CB-CG 4.21Å; R20-F22 HydrophobicContact CB-CD1 4.29Å; R20-F22 HydrophobicContact CB-CE1 4.02Å; R20-E25 IonicContact CZ-OE1 2.74Å; R20-E25 IonicContact CZ-OE2 3.83Å; R20-E25 VanDerWaalsContact CZ-OE2 3.3Å; R20-E25 IonicContact NE-OE1 3.24Å; R20-E25 PolarHBondContact NE-OE1 2.85Å; R20-E25 IonicContact NE-OE2 3.77Å; R20-E25 IonicContact NH2-OE1 3.62Å; R20-E25 PolarHBondContact NH2-OE1 2.84Å; R20-E25 IonicContact NH2-OE2 3.46Å; R20-E25 PolarHBondContact NH2-OE2 3.22Å
21	L	92.4	Very high	92.3	Very high	41 Å²	41	54.5 Å²	54.5	22%	0.215	29%	0.288	C	S	.	.			trans	-100.7	97.5	170.2	-68.2	174.6	0	0	0	109.9	F15 Q23 V24 E25	F15-L21 HydrophobicContact CD1-CD2 3.93Å; F15-L21 HydrophobicContact CD1-CG 3.99Å; F15-L21 HydrophobicContact CD2-CD2 4.15Å; F15-L21 HydrophobicContact CE1-CD1 4.15Å; F15-L21 HydrophobicContact CE1-CD2 3.96Å; F15-L21 HydrophobicContact CE1-CG 3.69Å; F15-L21 HydrophobicContact CE2-CD2 4.16Å; F15-L21 HydrophobicContact CG-CD2 4.05Å; F15-L21 HydrophobicContact CZ-CD1 4.09Å; F15-L21 HydrophobicContact CZ-CD2 4.07Å; F15-L21 HydrophobicContact CZ-CG 4.04Å; L21-Q23 VanDerWaalsContact C-N 3.27Å; L21-Q23 PolarHBondContact O-N 3.39Å; L21-V24 HydrophobicContact CB-CB 4.21Å; L21-V24 HydrophobicContact CB-CG2 3.92Å; L21-V24 HydrophobicContact CD1-CG2 4.19Å; L21-V24 PolarHBondContact O-N 3.43Å; L21-V24 VanDerWaalsContact O-N 3.13Å; L21-E25 PolarHBondContact O-N 3.4Å
22	F	94	Very high	92.8	Very high	7 Å²	7	57.4 Å²	57.4	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-30.6	-173.7	-65.2	-35.9	0	0	0	113.8	R5 D9 S16 R20 V24 E25 Y26	R5-F22 HydrophobicContact CG-CD2 4.46Å; R5-F22 HydrophobicContact CG-CE2 3.81Å; R5-F22 HydrophobicContact CG-CZ 4.05Å; D9-F22 HydrophobicContact CB-CB 3.85Å; D9-F22 HydrophobicContact CB-CD2 4.02Å; D9-F22 HydrophobicContact CB-CG 4.42Å; S16-F22 VanDerWaalsContact CB-CZ 3.45Å; R20-F22 HydrophobicContact CB-CD1 4.29Å; R20-F22 HydrophobicContact CB-CE1 4.02Å; F22-V24 VanDerWaalsContact C-N 3.33Å; F22-V24 PolarHBondContact O-N 3.24Å; F22-E25 WeakPolarHBondContact O-CB 3.49Å; F22-E25 PolarHBondContact O-N 2.92Å; F22-Y26 HydrophobicContact CB-CE2 4.4Å; F22-Y26 WeakPolarHBondContact O-CD1 3.48Å; F22-Y26 WeakPolarHBondContact O-CD2 3.09Å; F22-Y26 PolarHBondContact O-N 3.3Å
23	Q	93.8	Very high	93.2	Very high	51 Å²	51	62.2 Å²	62.2	24%	0.238	32%	0.32	C	S	.	.	H	α-helix	trans	-66.9	-33.6	177	-71.1	-64.3	-30	0	0	112.8	D9 V12 L21 Y26 A27 P136	D9-Q23 PolarHBondContact O-NE2 3.45Å; V12-Q23 HydrophobicContact CB-CB 4.48Å; V12-Q23 HydrophobicContact CB-CG 4.49Å; V12-Q23 HydrophobicContact CG1-CB 4.35Å; V12-Q23 HydrophobicContact CG1-CG 4.06Å; L21-Q23 VanDerWaalsContact C-N 3.27Å; L21-Q23 PolarHBondContact O-N 3.39Å; Q23-Y26 PolarHBondContact O-N 3.45Å; Q23-A27 WeakPolarHBondContact O-CB 3.37Å; Q23-A27 PolarHBondContact O-N 3.39Å; Q23-P136 HydrophobicContact CB-CG 4.36Å
24	V	94.8	Very high	93.7	Very high	13 Å²	13	57.7 Å²	57.7	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-67.4	-41.8	172.5	176.2	0	0	0	0	110.1	L21 F22 Y26 A27 I28 F123 P136	L21-V24 HydrophobicContact CB-CB 4.21Å; L21-V24 HydrophobicContact CB-CG2 3.92Å; L21-V24 HydrophobicContact CD1-CG2 4.19Å; L21-V24 PolarHBondContact O-N 3.43Å; L21-V24 VanDerWaalsContact O-N 3.13Å; F22-V24 VanDerWaalsContact C-N 3.33Å; F22-V24 PolarHBondContact O-N 3.24Å; V24-Y26 PolarHBondContact O-N 3.29Å; V24-A27 WeakPolarHBondContact O-CB 3.14Å; V24-A27 PolarHBondContact O-N 3.31Å; V24-I28 HydrophobicContact CG1-CD1 4.15Å; V24-I28 WeakPolarHBondContact O-CG1 3.27Å; V24-I28 PolarHBondContact O-N 3.36Å; V24-F123 HydrophobicContact CG2-CE1 4.09Å; V24-F123 HydrophobicContact CG2-CE2 4.41Å; V24-F123 HydrophobicContact CG2-CZ 3.6Å; V24-P136 HydrophobicContact CG2-CG 3.86Å
25	E	95.4	Very high	94.1	Very high	48 Å²	48	55.4 Å²	55.4	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-40.4	176.8	-61.4	-179.2	173.6	0	0	112.4	R20 L21 F22 A27 I28 E29	R20-E25 IonicContact CZ-OE1 2.74Å; R20-E25 IonicContact CZ-OE2 3.83Å; R20-E25 VanDerWaalsContact CZ-OE2 3.3Å; R20-E25 IonicContact NE-OE1 3.24Å; R20-E25 PolarHBondContact NE-OE1 2.85Å; R20-E25 IonicContact NE-OE2 3.77Å; R20-E25 IonicContact NH2-OE1 3.62Å; R20-E25 PolarHBondContact NH2-OE1 2.84Å; R20-E25 IonicContact NH2-OE2 3.46Å; R20-E25 PolarHBondContact NH2-OE2 3.22Å; L21-E25 PolarHBondContact O-N 3.4Å; F22-E25 WeakPolarHBondContact O-CB 3.49Å; F22-E25 PolarHBondContact O-N 2.92Å; E25-A27 VanDerWaalsContact C-N 3.31Å; E25-A27 PolarHBondContact O-N 2.76Å; E25-I28 WeakPolarHBondContact O-CB 3.08Å; E25-I28 PolarHBondContact O-N 3.21Å; E25-E29 WeakPolarHBondContact O-CG 3.48Å; E25-E29 PolarHBondContact O-N 2.93Å
26	Y	95.5	Very high	94.5	Very high	84 Å²	84	49.5 Å²	49.5	33%	0.329	26%	0.258	S	S	.	.	H	α-helix	trans	-64.4	-37.6	174.6	-62.9	-18.6	0	0	0	111.8	D9 F22 Q23 V24 I28 E29 A30	D9-Y26 HydrophobicContact CB-CE2 3.73Å; D9-Y26 PolarHBondContact OD2-OH 3.4Å; F22-Y26 HydrophobicContact CB-CE2 4.4Å; F22-Y26 WeakPolarHBondContact O-CD1 3.48Å; F22-Y26 WeakPolarHBondContact O-CD2 3.09Å; F22-Y26 PolarHBondContact O-N 3.3Å; Q23-Y26 PolarHBondContact O-N 3.45Å; V24-Y26 PolarHBondContact O-N 3.29Å; Y26-I28 VanDerWaalsContact C-N 3.33Å; Y26-E29 PolarHBondContact O-N 3.25Å; Y26-A30 PolarHBondContact O-N 3.31Å
27	A	96.4	Very high	94.9	Very high	9 Å²	9	49.1 Å²	49.1	7%	0.074	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-37.6	172.8	0	0	0	0	0	112	Q23 V24 E25 A30 I31 P136 P158	Q23-A27 WeakPolarHBondContact O-CB 3.37Å; Q23-A27 PolarHBondContact O-N 3.39Å; V24-A27 WeakPolarHBondContact O-CB 3.14Å; V24-A27 PolarHBondContact O-N 3.31Å; E25-A27 VanDerWaalsContact C-N 3.31Å; E25-A27 PolarHBondContact O-N 2.76Å; A27-A30 WeakPolarHBondContact O-CB 3.3Å; A27-A30 PolarHBondContact O-N 3.18Å; A27-I31 PolarHBondContact O-N 3.43Å; A27-P136 HydrophobicContact CB-CB 3.83Å; A27-P158 HydrophobicContact CB-CB 3.64Å; A27-P158 HydrophobicContact CB-CG 4.01Å
28	I	96.2	Very high	95.3	Very high	60 Å²	60	46 Å²	46	31%	0.308	24%	0.235	S	C	.	.	H	α-helix	trans	-63	-42.9	172.9	-68.9	166	0	0	0	111.2	V24 E25 Y26 A30 I31 P158	V24-I28 HydrophobicContact CG1-CD1 4.15Å; V24-I28 WeakPolarHBondContact O-CG1 3.27Å; V24-I28 PolarHBondContact O-N 3.36Å; E25-I28 WeakPolarHBondContact O-CB 3.08Å; E25-I28 PolarHBondContact O-N 3.21Å; Y26-I28 VanDerWaalsContact C-N 3.33Å; I28-A30 VanDerWaalsContact C-N 3.27Å; I28-A30 PolarHBondContact O-N 3.36Å; I28-I31 VanDerWaalsContact O-CB 3.29Å; I28-I31 WeakPolarHBondContact O-CB 3.42Å; I28-I31 PolarHBondContact O-N 3.24Å; I28-P158 HydrophobicContact CG1-CB 4.37Å; I28-P158 HydrophobicContact CG1-CG 4.22Å
29	E	96.3	Very high	95.7	Very high	99 Å²	99	39.5 Å²	39.5	46%	0.463	21%	0.205	S	C	.	.	H	α-helix	trans	-64.9	-31.5	174.5	-67.7	-56.4	134.6	0	0	112.2	E25 Y26 I31 K32	E25-E29 WeakPolarHBondContact O-CG 3.48Å; E25-E29 PolarHBondContact O-N 2.93Å; Y26-E29 PolarHBondContact O-N 3.25Å; E29-I31 PolarHBondContact O-N 2.89Å; E29-K32 WeakPolarHBondContact O-CB 3.32Å; E29-K32 PolarHBondContact O-N 3.43Å; E29-K32 VanDerWaalsContact O-N 3.12Å; E29-K32 IonicContact OE1-NZ 4Å; E29-K32 PolarHBondContact OE1-NZ 2.82Å; E29-K32 WeakPolarHBondContact OE2-CD 3.02Å; E29-K32 WeakPolarHBondContact OE2-CE 3.48Å; E29-K32 IonicContact OE2-NZ 3.21Å; E29-K32 PolarHBondContact OE2-NZ 3.45Å
30	A	96.5	Very high	96	Very high	18 Å²	18	37.2 Å²	37.2	15%	0.149	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-27.7	175	0	0	0	0	0	113	Y26 A27 I28 K32 L33 L81	Y26-A30 PolarHBondContact O-N 3.31Å; A27-A30 WeakPolarHBondContact O-CB 3.3Å; A27-A30 PolarHBondContact O-N 3.18Å; I28-A30 VanDerWaalsContact C-N 3.27Å; I28-A30 PolarHBondContact O-N 3.36Å; A30-K32 PolarHBondContact O-N 3.29Å; A30-L33 WeakPolarHBondContact O-CB 3.37Å; A30-L33 PolarHBondContact O-N 3.05Å; A30-L33 VanDerWaalsContact O-N 3.11Å; A30-L81 HydrophobicContact CB-CG 4.47Å
31	I	97.3	Very high	96.3	Very high	15 Å²	15	33.7 Å²	33.7	8%	0.077	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-38.6	174.6	-58.4	172	0	0	0	110.7	A27 I28 E29 L33 G34 A140 P158	A27-I31 PolarHBondContact O-N 3.43Å; I28-I31 VanDerWaalsContact O-CB 3.29Å; I28-I31 WeakPolarHBondContact O-CB 3.42Å; I28-I31 PolarHBondContact O-N 3.24Å; E29-I31 PolarHBondContact O-N 2.89Å; I31-L33 PolarHBondContact O-N 3.07Å; I31-L33 VanDerWaalsContact O-N 3.11Å; I31-G34 PolarHBondContact O-N 2.69Å; I31-A140 HydrophobicContact CD1-CB 3.66Å; I31-A140 HydrophobicContact CG1-CB 4.25Å; I31-A140 HydrophobicContact CG2-CB 3.78Å; I31-P158 HydrophobicContact CD1-CG 3.64Å; I31-P158 HydrophobicContact CG1-CG 4.15Å
32	K	95.4	Very high	96.6	Very high	79 Å²	79	31.9 Å²	31.9	34%	0.343	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-9.8	-178.7	-58.6	-179.1	-173.1	162.8	0	113.2	E29 A30 S172	E29-K32 WeakPolarHBondContact O-CB 3.32Å; E29-K32 PolarHBondContact O-N 3.43Å; E29-K32 VanDerWaalsContact O-N 3.12Å; E29-K32 IonicContact OE1-NZ 4Å; E29-K32 PolarHBondContact OE1-NZ 2.82Å; E29-K32 WeakPolarHBondContact OE2-CD 3.02Å; E29-K32 WeakPolarHBondContact OE2-CE 3.48Å; E29-K32 IonicContact OE2-NZ 3.21Å; E29-K32 PolarHBondContact OE2-NZ 3.45Å; A30-K32 PolarHBondContact O-N 3.29Å; K32-S172 WeakPolarHBondContact O-CA 3.45Å; K32-S172 WeakPolarHBondContact O-CB 3.43Å
33	L	93.8	Very high	96.7	Very high	132 Å²	132	35.6 Å²	35.6	69%	0.691	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-18.1	172.2	-55.5	178.6	0	0	0	112.2	A30 I31	A30-L33 WeakPolarHBondContact O-CB 3.37Å; A30-L33 PolarHBondContact O-N 3.05Å; A30-L33 VanDerWaalsContact O-N 3.11Å; I31-L33 PolarHBondContact O-N 3.07Å; I31-L33 VanDerWaalsContact O-N 3.11Å
34	G	95.3	Very high	96.9	Very high	9 Å²	9	37.1 Å²	37.1	9%	0.093	19%	0.193	C	C	.	.	S	Bend	trans	-81.8	152.3	175.9	0	0	0	0	0	112.9	I31 S172	I31-G34 PolarHBondContact O-N 2.69Å; G34-S172 WeakPolarHBondContact O-CB 3.49Å; G34-S172 PolarHBondContact O-N 2.83Å; G34-S172 PolarHBondContact O-OG 2.97Å
35	S	96.6	Very high	97.1	Very high	10 Å²	10	36.5 Å²	36.5	7%	0.07	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-67.4	159.4	176	53.5	0	0	0	0	112.8	E51 K66 S79	S35-E51 VanDerWaalsContact CB-O 3.31Å; S35-E51 WeakPolarHBondContact CB-O 3.31Å; S35-E51 WeakPolarHBondContact CB-OE2 3.1Å; S35-E51 PolarHBondContact OG-O 3Å; S35-K66 PolarHBondContact O-NZ 3.16Å; S35-K66 PolarHBondContact OG-NZ 2.82Å; S35-S79 PolarHBondContact O-OG 2.97Å
36	T	98.5	Very high	97.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-71.9	137.4	-168.5	-54	0	0	0	0	112	I38 E51 I170 A173 A177 L202 V205	T36-I38 HydrophobicContact CG2-CG1 4.5Å; T36-E51 PolarHBondContact N-OE2 3.17Å; T36-E51 VanDerWaalsContact N-OE2 3.11Å; T36-E51 PolarHBondContact O-N 3.36Å; T36-I170 CarbonylContact C-O 3.57Å; T36-I170 WeakPolarHBondContact CA-O 3.43Å; T36-A173 WeakPolarHBondContact OG1-CB 3.45Å; T36-A173 PolarHBondContact OG1-N 3.02Å; T36-A177 HydrophobicContact CG2-CB 4.18Å; T36-L202 HydrophobicContact CG2-CD2 4.1Å; T36-V205 HydrophobicContact CG2-CG2 4.23Å
37	A	98.8	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.1	172.2	0	0	0	0	0	110	A49 V50 A77 A169 I170	A37-A49 CarbonylContact C-O 3.59Å; A37-A49 WeakPolarHBondContact CA-O 3.34Å; A37-V50 HydrophobicContact CB-CB 4.28Å; A37-V50 HydrophobicContact CB-CG1 4Å; A37-V50 HydrophobicContact CB-CG2 3.61Å; A37-A77 HydrophobicContact CB-CB 4.37Å; A37-A169 CarbonylContact O-C 3.58Å; A37-A169 VanDerWaalsContact O-CA 3.29Å; A37-A169 WeakPolarHBondContact O-CA 3.47Å; A37-I170 HydrophobicContact CB-CD1 4.21Å; A37-I170 HydrophobicContact CB-CG1 3.73Å; A37-I170 PolarHBondContact N-O 3.34Å; A37-I170 PolarHBondContact O-N 3.35Å
38	I	98.9	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132	-177.6	-64.7	178.5	0	0	0	108.6	T36 I40 L48 A49 R168 A169 A177 L181 I201 L202	T36-I38 HydrophobicContact CG2-CG1 4.5Å; I38-I40 HydrophobicContact CG2-CD1 4.21Å; I38-I40 HydrophobicContact CG2-CG1 3.91Å; I38-L48 CarbonylContact O-C 3.55Å; I38-L48 WeakPolarHBondContact O-CA 3.2Å; I38-A49 PolarHBondContact N-O 3.11Å; I38-A49 PolarHBondContact O-N 3.37Å; I38-R168 WeakPolarHBondContact CA-O 3.25Å; I38-A169 HydrophobicContact CG1-CB 4.21Å; I38-A177 HydrophobicContact CD1-CB 4.22Å; I38-L181 HydrophobicContact CG2-CD1 4Å; I38-L181 HydrophobicContact CG2-CD2 3.95Å; I38-L181 HydrophobicContact CG2-CG 4.46Å; I38-I201 HydrophobicContact CD1-CB 3.85Å; I38-I201 HydrophobicContact CD1-CG2 3.52Å; I38-L202 HydrophobicContact CD1-CD2 3.97Å; I38-L202 HydrophobicContact CD1-CG 3.97Å; I38-L202 HydrophobicContact CG1-CD2 4.26Å
39	G	98.9	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.1	168.2	0	0	0	0	0	110.3	C47 L153 A167 R168	G39-C47 CarbonylContact C-O 3.45Å; G39-C47 VanDerWaalsContact CA-O 3.31Å; G39-C47 WeakPolarHBondContact CA-O 3.27Å; G39-L153 VanDerWaalsContact C-CD2 3.42Å; G39-L153 WeakPolarHBondContact O-CD2 3.49Å; G39-A167 CarbonylContact O-C 3.47Å; G39-A167 WeakPolarHBondContact O-CA 3.05Å; G39-R168 PolarHBondContact N-O 3.43Å; G39-R168 PolarHBondContact O-N 2.94Å
40	I	98.9	Very high	97.8	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	124.4	175.6	-53.8	177.7	0	0	0	108.9	I38 T42 V46 C47 A167 L181 Y185 A194	I38-I40 HydrophobicContact CG2-CD1 4.21Å; I38-I40 HydrophobicContact CG2-CG1 3.91Å; I40-T42 HydrophobicContact CG2-CG2 4.34Å; I40-V46 WeakPolarHBondContact O-CA 3.23Å; I40-C47 PolarHBondContact N-O 2.89Å; I40-C47 PolarHBondContact O-N 3.39Å; I40-A167 HydrophobicContact CG1-CB 4.19Å; I40-A167 HydrophobicContact CG2-CB 4.38Å; I40-L181 HydrophobicContact CD1-CD2 3.69Å; I40-L181 HydrophobicContact CG1-CD2 3.9Å; I40-Y185 HydrophobicContact CG2-CD2 4.14Å; I40-Y185 HydrophobicContact CG2-CE2 4.27Å; I40-A194 HydrophobicContact CB-CB 4.09Å; I40-A194 HydrophobicContact CD1-CB 4.32Å; I40-A194 HydrophobicContact CG2-CB 3.73Å
41	Q	98.7	Very high	97.8	Very high	30 Å²	30	22.1 Å²	22.1	14%	0.14	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.1	173	-178.9	-86.2	-39	0	0	110	V46 P151 L153 D166	Q41-V46 HydrophobicContact CB-CG2 4.5Å; Q41-V46 HydrophobicContact CG-CG2 4.35Å; Q41-P151 HydrophobicContact CG-CB 4.14Å; Q41-P151 WeakPolarHBondContact CG-O 3.35Å; Q41-P151 PolarHBondContact NE2-O 3.41Å; Q41-L153 HydrophobicContact CB-CB 3.94Å; Q41-D166 WeakPolarHBondContact CB-O 2.98Å; Q41-D166 PolarHBondContact N-O 3.48Å
42	T	98.6	Very high	97.8	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	12%	0.119	C	C	.	.			trans	-127	171.2	172.7	75.6	0	0	0	0	110.2	I40 E44 G45 P151 M189 A194	I40-T42 HydrophobicContact CG2-CG2 4.34Å; T42-E44 PolarHBondContact O-N 3.18Å; T42-E44 PolarHBondContact OG1-N 3.06Å; T42-E44 VanDerWaalsContact OG1-N 3.11Å; T42-G45 PolarHBondContact N-O 3.4Å; T42-G45 PolarHBondContact O-N 3.08Å; T42-G45 VanDerWaalsContact O-O 3.11Å; T42-G45 PolarHBondContact OG1-N 3.14Å; T42-G45 VanDerWaalsContact OG1-N 3.17Å; T42-G45 PolarHBondContact OG1-O 3.06Å; T42-P151 WeakPolarHBondContact O-CB 3.48Å; T42-P151 WeakPolarHBondContact O-CG 3.3Å; T42-M189 VanDerWaalsContact CB-O 3.24Å; T42-M189 WeakPolarHBondContact CB-O 3.49Å; T42-M189 WeakPolarHBondContact CG2-O 3.29Å; T42-A194 HydrophobicContact CG2-CB 3.6Å
43	S	96.9	Very high	97.6	Very high	85 Å²	85	22.9 Å²	22.9	59%	0.594	12%	0.12	S	C	*	.	S	Bend	trans	-65.6	-19.5	171.3	54.3	0	0	0	0	113.4
44	E	97.7	Very high	97.5	Very high	84 Å²	84	17.9 Å²	17.9	39%	0.393	9%	0.093	S	C	.	.	S	Bend	trans	-92.9	-16.5	-178.5	-67.3	178.3	175.2	0	0	112.8	T42 T190 L191 Q221 P222	T42-E44 PolarHBondContact O-N 3.18Å; T42-E44 PolarHBondContact OG1-N 3.06Å; T42-E44 VanDerWaalsContact OG1-N 3.11Å; E44-T190 WeakPolarHBondContact OE2-CA 3.47Å; E44-T190 WeakPolarHBondContact OE2-CB 3.36Å; E44-L191 HydrophobicContact CB-CB 3.89Å; E44-L191 PolarHBondContact OE2-N 3.36Å; E44-Q221 WeakPolarHBondContact O-CG 3.43Å; E44-P222 WeakPolarHBondContact O-CD 3.49Å
45	G	98.2	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.			trans	159.1	-165.6	-178	0	0	0	0	0	112.9	T42 V220	T42-G45 PolarHBondContact N-O 3.4Å; T42-G45 PolarHBondContact O-N 3.08Å; T42-G45 VanDerWaalsContact O-O 3.11Å; T42-G45 PolarHBondContact OG1-N 3.14Å; T42-G45 VanDerWaalsContact OG1-N 3.17Å; T42-G45 PolarHBondContact OG1-O 3.06Å; G45-V220 CarbonylContact C-O 3.38Å; G45-V220 WeakPolarHBondContact CA-O 3.42Å
46	V	98.7	Very high	97	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.2	174.7	-171.6	0	0	0	0	109.1	I40 Q41 G145 P151 L153 T219 V220	I40-V46 WeakPolarHBondContact O-CA 3.23Å; Q41-V46 HydrophobicContact CB-CG2 4.5Å; Q41-V46 HydrophobicContact CG-CG2 4.35Å; V46-G145 WeakPolarHBondContact CG2-O 3.46Å; V46-P151 HydrophobicContact CG2-CB 3.84Å; V46-L153 HydrophobicContact CG1-CB 4.3Å; V46-L153 HydrophobicContact CG1-CD1 4.16Å; V46-T219 CarbonylContact O-C 3.57Å; V46-T219 WeakPolarHBondContact O-CA 3.48Å; V46-V220 PolarHBondContact N-O 3.42Å; V46-V220 PolarHBondContact O-N 2.86Å
47	C	98.7	Very high	96.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133	172.6	174.7	0	0	0	0	109.4	G39 I40 L191 A194 I195 L217	G39-C47 CarbonylContact C-O 3.45Å; G39-C47 VanDerWaalsContact CA-O 3.31Å; G39-C47 WeakPolarHBondContact CA-O 3.27Å; I40-C47 PolarHBondContact N-O 2.89Å; I40-C47 PolarHBondContact O-N 3.39Å; C47-L191 HydrophobicContact CB-CD1 3.9Å; C47-A194 HydrophobicContact CB-CB 4.43Å; C47-I195 HydrophobicContact CB-CG1 4.27Å; C47-L217 WeakPolarHBondContact SG-CD1 3.24Å
48	L	98.9	Very high	96.5	Very high	3 Å²	3	38 Å²	38	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.2	170.8	-63	176.2	0	0	0	108.3	I38 I67 A77 L142 L153 L217 A218	I38-L48 CarbonylContact O-C 3.55Å; I38-L48 WeakPolarHBondContact O-CA 3.2Å; L48-I67 HydrophobicContact CB-CD1 4.07Å; L48-I67 HydrophobicContact CB-CG2 4.47Å; L48-I67 HydrophobicContact CD1-CG2 4.22Å; L48-I67 VanDerWaalsContact O-CD1 3.25Å; L48-I67 WeakPolarHBondContact O-CD1 3.38Å; L48-A77 HydrophobicContact CB-CB 4.32Å; L48-A77 HydrophobicContact CD1-CB 4.3Å; L48-A77 HydrophobicContact CD2-CB 4.26Å; L48-L142 HydrophobicContact CD2-CB 4.16Å; L48-L153 HydrophobicContact CD2-CD1 4.04Å; L48-L217 CarbonylContact O-C 3.57Å; L48-L217 WeakPolarHBondContact O-CA 3.48Å; L48-A218 PolarHBondContact N-O 3.5Å; L48-A218 PolarHBondContact O-N 3.5Å
49	A	98.9	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.5	178.6	0	0	0	0	0	110.3	A37 I38 L199 L202 E216 L217	A37-A49 CarbonylContact C-O 3.59Å; A37-A49 WeakPolarHBondContact CA-O 3.34Å; I38-A49 PolarHBondContact N-O 3.11Å; I38-A49 PolarHBondContact O-N 3.37Å; A49-L199 HydrophobicContact CB-CD2 4.48Å; A49-L202 HydrophobicContact CB-CD1 3.76Å; A49-E216 CarbonylContact C-O 3.6Å; A49-E216 WeakPolarHBondContact CA-O 3.47Å; A49-L217 HydrophobicContact CB-CD1 3.78Å
50	V	98.7	Very high	95.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.6	-173.8	-173.3	0	0	0	0	111.7	A37 K66 I67 A77 I215 E216	A37-V50 HydrophobicContact CB-CB 4.28Å; A37-V50 HydrophobicContact CB-CG1 4Å; A37-V50 HydrophobicContact CB-CG2 3.61Å; V50-K66 HydrophobicContact CB-CB 4.28Å; V50-K66 HydrophobicContact CG1-CB 3.61Å; V50-K66 HydrophobicContact CG1-CD 3.68Å; V50-K66 HydrophobicContact CG1-CG 4.27Å; V50-I67 HydrophobicContact CB-CD1 4.37Å; V50-I67 HydrophobicContact CB-CG1 4.13Å; V50-I67 HydrophobicContact CG2-CD1 3.79Å; V50-I67 HydrophobicContact CG2-CG1 3.41Å; V50-I67 VanDerWaalsContact CG2-CG1 3.41Å; V50-A77 HydrophobicContact CG2-CB 3.7Å; V50-I215 CarbonylContact O-C 3.52Å; V50-I215 WeakPolarHBondContact O-CA 3.32Å; V50-E216 PolarHBondContact N-O 3.48Å; V50-E216 PolarHBondContact O-N 2.95Å
51	E	98	Very high	95.5	Very high	11 Å²	11	47.9 Å²	47.9	5%	0.051	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.1	166.8	174.1	-164.1	177.7	0	0	110.7	S35 T36 L202 M206	S35-E51 VanDerWaalsContact CB-O 3.31Å; S35-E51 WeakPolarHBondContact CB-O 3.31Å; S35-E51 WeakPolarHBondContact CB-OE2 3.1Å; S35-E51 PolarHBondContact OG-O 3Å; T36-E51 PolarHBondContact N-OE2 3.17Å; T36-E51 VanDerWaalsContact N-OE2 3.11Å; T36-E51 PolarHBondContact O-N 3.36Å; E51-L202 HydrophobicContact CB-CD2 4.45Å; E51-M206 HydrophobicContact CB-CG 4.15Å; E51-M206 HydrophobicContact CB-SD 4.22Å; E51-M206 HydrophobicContact CG-CE 4.08Å; E51-M206 HydrophobicContact CG-CG 3.83Å; E51-M206 HydrophobicContact CG-SD 4.14Å
52	K	96	Very high	95.1	Very high	18 Å²	18	50.3 Å²	50.3	8%	0.078	28%	0.281	C	S	.	.			trans	-102.2	112.3	166.1	-64.7	-164.8	-72.8	-170.6	0	110.2	I54 P61 I64 T213 N214 I215 E216	K52-I54 PolarHBondContact O-N 3.44Å; K52-P61 PolarHBondContact NZ-O 3.29Å; K52-I64 HydrophobicContact CB-CG2 4.39Å; K52-I64 HydrophobicContact CD-CB 4.16Å; K52-I64 HydrophobicContact CD-CG2 4.15Å; K52-I64 WeakPolarHBondContact CD-O 3.31Å; K52-I64 HydrophobicContact CG-CG2 4.28Å; K52-T213 WeakPolarHBondContact CE-O 3.31Å; K52-N214 PolarHBondContact N-O 2.99Å; K52-I215 WeakPolarHBondContact CE-O 3.22Å; K52-E216 HydrophobicContact CD-CG 3.66Å; K52-E216 HydrophobicContact CG-CG 4.06Å; K52-E216 IonicContact NZ-OE1 2.6Å
53	R	92.1	Very high	94.7	Very high	93 Å²	93	54.3 Å²	54.3	35%	0.351	31%	0.309	S	S	.	.			trans	-82.2	100.5	177.3	-170.4	178.5	-75	175.5	-13.8	110.3	T55 E207	R53-T55 HydrophobicContact CG-CG2 3.95Å; R53-T55 PolarHBondContact O-N 2.88Å; R53-E207 IonicContact NH2-OE1 3.78Å
54	I	90.9	Very high	94.6	Very high	26 Å²	26	51.7 Å²	51.7	13%	0.133	29%	0.288	C	S	.	.			trans	-93.7	93.9	178.5	-57.4	162.7	0	0	0	108.4	K52 S56 M59 P61 I64 T213 N214	K52-I54 PolarHBondContact O-N 3.44Å; I54-S56 VanDerWaalsContact C-N 3.25Å; I54-S56 WeakPolarHBondContact CG2-O 3.21Å; I54-S56 PolarHBondContact O-N 3.37Å; I54-M59 HydrophobicContact CG2-CB 4.27Å; I54-P61 HydrophobicContact CD1-CB 3.74Å; I54-P61 HydrophobicContact CD1-CG 3.84Å; I54-P61 HydrophobicContact CG1-CB 4.49Å; I54-I64 HydrophobicContact CG1-CD1 4.08Å; I54-T213 WeakPolarHBondContact CD1-O 3.48Å; I54-N214 HydrophobicContact CD1-CB 4.18Å
55	T	88.9	Confident	94.4	Very high	111 Å²	111	53.7 Å²	53.7	68%	0.681	30%	0.298	S	S	*	.			trans	-79	-7.4	-172.9	56.5	0	0	0	0	114.1	R53 M59	R53-T55 HydrophobicContact CG-CG2 3.95Å; R53-T55 PolarHBondContact O-N 2.88Å; T55-M59 PolarHBondContact OG1-SD 3.16Å
56	S	92.9	Very high	94.3	Very high	37 Å²	37	54.1 Å²	54.1	26%	0.259	30%	0.299	S	S	.	.			trans	-149.4	139.8	-178	173.3	0	0	0	0	111.2	I54 L58 M59	I54-S56 VanDerWaalsContact C-N 3.25Å; I54-S56 WeakPolarHBondContact CG2-O 3.21Å; I54-S56 PolarHBondContact O-N 3.37Å; S56-L58 PolarHBondContact O-N 2.89Å; S56-L58 VanDerWaalsContact O-N 3.1Å; S56-L58 WeakPolarHBondContact OG-CB 3.44Å; S56-L58 PolarHBondContact OG-N 3.45Å; S56-L58 VanDerWaalsContact OG-N 3.13Å; S56-M59 WeakPolarHBondContact O-CB 3.48Å; S56-M59 PolarHBondContact O-N 3.18Å
57	P	90.4	Very high	94.3	Very high	132 Å²	132	54.2 Å²	54.2	86%	0.857	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-9.1	172.5	30	-36.7	0	0	0	113.2
58	L	96	Very high	94.3	Very high	162 Å²	162	55.2 Å²	55.2	85%	0.848	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-4	175.2	-55.2	179.3	0	0	0	112.9	S56	S56-L58 PolarHBondContact O-N 2.89Å; S56-L58 VanDerWaalsContact O-N 3.1Å; S56-L58 WeakPolarHBondContact OG-CB 3.44Å; S56-L58 PolarHBondContact OG-N 3.45Å; S56-L58 VanDerWaalsContact OG-N 3.13Å
59	M	92.6	Very high	94.3	Very high	71 Å²	71	59.2 Å²	59.2	35%	0.35	33%	0.325	S	S	.	.	S	Bend	trans	-85.7	136.7	173.6	-68.3	175.8	76.9	0	0	109.7	I54 T55 S56 P61 I64	I54-M59 HydrophobicContact CG2-CB 4.27Å; T55-M59 PolarHBondContact OG1-SD 3.16Å; S56-M59 WeakPolarHBondContact O-CB 3.48Å; S56-M59 PolarHBondContact O-N 3.18Å; M59-P61 VanDerWaalsContact O-CD 3.25Å; M59-P61 WeakPolarHBondContact O-CD 3.39Å; M59-I64 HydrophobicContact CE-CD1 3.61Å; M59-I64 HydrophobicContact CE-CG1 4.16Å
60	E	93.5	Very high	94.3	Very high	108 Å²	108	59.5 Å²	59.5	51%	0.505	33%	0.326	S	S	.	.			trans	-78.6	113.3	171.1	177.1	46.7	-122.9	0	0	109.1	S62 S63	E60-S62 VanDerWaalsContact CD-OG 3.26Å; E60-S62 WeakPolarHBondContact CG-OG 3.46Å; E60-S62 PolarHBondContact O-N 2.85Å; E60-S62 WeakPolarHBondContact OE1-CB 3.49Å; E60-S62 PolarHBondContact OE1-N 3.3Å; E60-S62 PolarHBondContact OE1-OG 2.6Å; E60-S63 PolarHBondContact O-N 2.88Å; E60-S63 PolarHBondContact O-OG 3.38Å
61	P	90.2	Very high	94.3	Very high	31 Å²	31	60.7 Å²	60.7	20%	0.201	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-61.9	-27	-175.7	-26.7	38.1	0	0	0	113.9	K52 I54 M59 S63 I64	K52-P61 PolarHBondContact NZ-O 3.29Å; I54-P61 HydrophobicContact CD1-CB 3.74Å; I54-P61 HydrophobicContact CD1-CG 3.84Å; I54-P61 HydrophobicContact CG1-CB 4.49Å; M59-P61 VanDerWaalsContact O-CD 3.25Å; M59-P61 WeakPolarHBondContact O-CD 3.39Å; P61-S63 VanDerWaalsContact C-N 3.29Å; P61-I64 PolarHBondContact O-N 3.32Å
62	S	90.3	Very high	94.2	Very high	80 Å²	80	61.7 Å²	61.7	56%	0.559	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-73.6	-17.2	176.4	59.8	0	0	0	0	113.5	E60 I64	E60-S62 VanDerWaalsContact CD-OG 3.26Å; E60-S62 WeakPolarHBondContact CG-OG 3.46Å; E60-S62 PolarHBondContact O-N 2.85Å; E60-S62 WeakPolarHBondContact OE1-CB 3.49Å; E60-S62 PolarHBondContact OE1-N 3.3Å; E60-S62 PolarHBondContact OE1-OG 2.6Å; S62-I64 VanDerWaalsContact C-N 3.28Å; S62-I64 PolarHBondContact O-N 2.73Å
63	S	91.4	Very high	94.3	Very high	87 Å²	87	61.8 Å²	61.8	61%	0.608	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-83.3	-5.4	175.9	76.1	0	0	0	0	113.5	E60 P61	E60-S63 PolarHBondContact O-N 2.88Å; E60-S63 PolarHBondContact O-OG 3.38Å; P61-S63 VanDerWaalsContact C-N 3.29Å
64	I	93	Very high	94.7	Very high	31 Å²	31	57.4 Å²	57.4	16%	0.159	33%	0.327	C	S	.	.			trans	-99.7	99.5	176.8	-54.1	174.6	0	0	0	107	K52 I54 M59 P61 S62 K66 E216	K52-I64 HydrophobicContact CB-CG2 4.39Å; K52-I64 HydrophobicContact CD-CB 4.16Å; K52-I64 HydrophobicContact CD-CG2 4.15Å; K52-I64 WeakPolarHBondContact CD-O 3.31Å; K52-I64 HydrophobicContact CG-CG2 4.28Å; I54-I64 HydrophobicContact CG1-CD1 4.08Å; M59-I64 HydrophobicContact CE-CD1 3.61Å; M59-I64 HydrophobicContact CE-CG1 4.16Å; P61-I64 PolarHBondContact O-N 3.32Å; S62-I64 VanDerWaalsContact C-N 3.28Å; S62-I64 PolarHBondContact O-N 2.73Å; I64-K66 HydrophobicContact CG2-CG 4.42Å; I64-E216 VanDerWaalsContact O-OE1 3.11Å
65	E	93.9	Very high	95	Very high	126 Å²	126	56.1 Å²	56.1	59%	0.589	32%	0.32	S	S	*	.			trans	-105.9	129.1	176.6	-62.1	175.6	141.4	0	0	109.3
66	K	97.2	Very high	95.5	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.035	29%	0.288	C	S	.	.			trans	-128.9	-14.9	178.7	-67.9	-163	70.6	-160	0	113.6	S35 V50 I64 A77 M78 E216	S35-K66 PolarHBondContact O-NZ 3.16Å; S35-K66 PolarHBondContact OG-NZ 2.82Å; V50-K66 HydrophobicContact CB-CB 4.28Å; V50-K66 HydrophobicContact CG1-CB 3.61Å; V50-K66 HydrophobicContact CG1-CD 3.68Å; V50-K66 HydrophobicContact CG1-CG 4.27Å; I64-K66 HydrophobicContact CG2-CG 4.42Å; K66-A77 WeakPolarHBondContact O-CA 3.42Å; K66-M78 WeakPolarHBondContact CE-O 3.44Å; K66-M78 PolarHBondContact NZ-O 3.33Å; K66-M78 WeakPolarHBondContact O-CE 3.41Å; K66-M78 PolarHBondContact O-N 3.24Å; K66-E216 WeakPolarHBondContact CA-OE2 3.26Å; K66-E216 PolarHBondContact N-OE2 3.24Å
67	I	98.6	Very high	95.8	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.6	164.8	-50.9	177.1	0	0	0	108.6	L48 V50 C76 A77 E216 A218 F226 M228	L48-I67 HydrophobicContact CB-CD1 4.07Å; L48-I67 HydrophobicContact CB-CG2 4.47Å; L48-I67 HydrophobicContact CD1-CG2 4.22Å; L48-I67 VanDerWaalsContact O-CD1 3.25Å; L48-I67 WeakPolarHBondContact O-CD1 3.38Å; V50-I67 HydrophobicContact CB-CD1 4.37Å; V50-I67 HydrophobicContact CB-CG1 4.13Å; V50-I67 HydrophobicContact CG2-CD1 3.79Å; V50-I67 HydrophobicContact CG2-CG1 3.41Å; V50-I67 VanDerWaalsContact CG2-CG1 3.41Å; I67-C76 CarbonylContact C-O 3.59Å; I67-C76 VanDerWaalsContact CA-O 3.31Å; I67-C76 WeakPolarHBondContact CA-O 3.2Å; I67-A77 HydrophobicContact CG1-CB 4.18Å; I67-E216 HydrophobicContact CD1-CB 3.72Å; I67-E216 HydrophobicContact CG1-CB 4.03Å; I67-E216 PolarHBondContact N-OE2 3.46Å; I67-A218 HydrophobicContact CD1-CB 4.21Å; I67-A218 HydrophobicContact CG2-CB 3.71Å; I67-F226 HydrophobicContact CG2-CE2 4.09Å; I67-F226 HydrophobicContact CG2-CZ 4.09Å; I67-M228 HydrophobicContact CB-CE 3.68Å; I67-M228 HydrophobicContact CG2-CE 3.88Å; I67-M228 VanDerWaalsContact O-CE 3.28Å; I67-M228 WeakPolarHBondContact O-CE 3.39Å
68	V	98.3	Very high	96.2	Very high	21 Å²	21	43.2 Å²	43.2	13%	0.127	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.1	-179.9	-65.3	0	0	0	0	111.1	I70 G75 C76 M78 I89	V68-I70 HydrophobicContact CG2-CD1 4.14Å; V68-G75 CarbonylContact O-C 3.6Å; V68-G75 WeakPolarHBondContact O-CA 3.46Å; V68-C76 HydrophobicContact CG2-CB 4.15Å; V68-C76 PolarHBondContact N-O 3.4Å; V68-C76 PolarHBondContact O-N 2.92Å; V68-M78 HydrophobicContact CG1-CE 3.87Å; V68-M78 HydrophobicContact CG2-CE 4.27Å; V68-M78 HydrophobicContact CG2-SD 4.45Å; V68-I89 HydrophobicContact CG2-CD1 3.6Å; V68-I89 HydrophobicContact CG2-CG1 3.94Å; V68-I89 HydrophobicContact CG2-CG2 3.81Å
69	E	98.5	Very high	96.3	Very high	86 Å²	86	35.5 Å²	35.5	40%	0.402	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130	167.7	-170.2	177.5	-174.9	0	0	109.7	D71 R93 F226	E69-D71 WeakPolarHBondContact CG-O 3.33Å; E69-R93 PolarHBondContact O-NE 3.22Å; E69-R93 PolarHBondContact O-NH2 3.41Å; E69-F226 HydrophobicContact CB-CD1 3.64Å; E69-F226 HydrophobicContact CB-CE1 3.75Å; E69-F226 HydrophobicContact CB-CG 4.13Å; E69-F226 HydrophobicContact CB-CZ 4.32Å; E69-F226 HydrophobicContact CG-CB 4.07Å; E69-F226 HydrophobicContact CG-CD1 3.73Å; E69-F226 HydrophobicContact CG-CE1 4.36Å; E69-F226 HydrophobicContact CG-CG 3.92Å
70	I	98.7	Very high	96.5	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.036	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-44.8	171.8	-56.8	-55	0	0	0	110.2	V68 I74 C76 I89 A92 R93 T96 V112 F143	V68-I70 HydrophobicContact CG2-CD1 4.14Å; I70-I74 HydrophobicContact CB-CB 4.14Å; I70-I74 HydrophobicContact CB-CG2 3.95Å; I70-I74 HydrophobicContact CG1-CG2 4.13Å; I70-I74 HydrophobicContact CG2-CG2 4.49Å; I70-I74 PolarHBondContact N-O 2.88Å; I70-C76 HydrophobicContact CD1-CB 3.76Å; I70-C76 HydrophobicContact CG1-CB 3.72Å; I70-I89 HydrophobicContact CD1-CD1 3.76Å; I70-I89 HydrophobicContact CD1-CG2 3.87Å; I70-A92 HydrophobicContact CD1-CB 4Å; I70-A92 HydrophobicContact CG1-CB 4.47Å; I70-A92 HydrophobicContact CG2-CB 3.67Å; I70-R93 HydrophobicContact CG2-CG 4.44Å; I70-T96 HydrophobicContact CG2-CG2 3.94Å; I70-V112 HydrophobicContact CG2-CG1 4.13Å; I70-F143 HydrophobicContact CD1-CE1 4.45Å; I70-F143 HydrophobicContact CG1-CD1 4.39Å; I70-F143 HydrophobicContact CG1-CE1 4.19Å
71	D	98.2	Very high	96.6	Very high	25 Å²	25	30.8 Å²	30.8	13%	0.134	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	170.7	175.4	-159.5	-4.3	0	0	0	107.9	E69 H73 I74 T96	E69-D71 WeakPolarHBondContact CG-O 3.33Å; D71-H73 PolarHBondContact O-N 2.92Å; D71-H73 IonicContact OD2-CE1 3.49Å; D71-H73 PolarHBondContact OD2-CE1 3.28Å; D71-H73 IonicContact OD2-ND1 2.9Å; D71-I74 PolarHBondContact N-O 3.38Å; D71-I74 CarbonylContact O-C 3.6Å; D71-I74 PolarHBondContact O-N 3.03Å; D71-T96 HydrophobicContact CB-CG2 4.11Å
72	A	97.4	Very high	96.6	Very high	31 Å²	31	32 Å²	32	26%	0.256	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.8	-175.7	0	0	0	0	0	113.4	N225 F226	A72-N225 HydrophobicContact CB-CB 4.41Å; A72-N225 CarbonylContact O-C 3.6Å; A72-N225 WeakPolarHBondContact O-CA 3.13Å; A72-N225 VanDerWaalsContact O-CB 3.24Å; A72-N225 WeakPolarHBondContact O-CB 3.43Å; A72-F226 PolarHBondContact O-N 3.5Å
73	H	98.3	Very high	96.7	Very high	21 Å²	21	31.7 Å²	31.7	10%	0.097	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	10	-179.8	67.7	-61.3	0	0	0	114	D71 M107 G145 V146 V220	D71-H73 PolarHBondContact O-N 2.92Å; D71-H73 IonicContact OD2-CE1 3.49Å; D71-H73 PolarHBondContact OD2-CE1 3.28Å; D71-H73 IonicContact OD2-ND1 2.9Å; H73-M107 PolarHBondContact NE2-O 3.16Å; H73-G145 CarbonylContact O-C 3.58Å; H73-G145 WeakPolarHBondContact O-CA 3.32Å; H73-V146 WeakPolarHBondContact CB-O 3.39Å; H73-V146 PolarHBondContact CD2-O 3.32Å; H73-V146 PolarHBondContact O-N 3.11Å; H73-V220 WeakPolarHBondContact O-CG1 3.49Å
74	I	98.7	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	123.2	-175.7	-53.3	179.1	0	0	0	111.5	I70 D71 T96 V109 V112 F143	I70-I74 HydrophobicContact CB-CB 4.14Å; I70-I74 HydrophobicContact CB-CG2 3.95Å; I70-I74 HydrophobicContact CG1-CG2 4.13Å; I70-I74 HydrophobicContact CG2-CG2 4.49Å; I70-I74 PolarHBondContact N-O 2.88Å; D71-I74 PolarHBondContact N-O 3.38Å; D71-I74 CarbonylContact O-C 3.6Å; D71-I74 PolarHBondContact O-N 3.03Å; I74-T96 HydrophobicContact CD1-CG2 4.44Å; I74-V109 HydrophobicContact CD1-CG2 4.36Å; I74-V109 HydrophobicContact CG1-CG2 4.24Å; I74-V112 HydrophobicContact CD1-CB 4.36Å; I74-V112 HydrophobicContact CD1-CG2 3.69Å; I74-F143 HydrophobicContact CG2-CD1 4.33Å
75	G	98.8	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	157.3	165.4	0	0	0	0	0	112.4	V68 G144	V68-G75 CarbonylContact O-C 3.6Å; V68-G75 WeakPolarHBondContact O-CA 3.46Å; G75-G144 PolarHBondContact N-O 2.95Å; G75-G144 PolarHBondContact O-N 3.12Å; G75-G144 VanDerWaalsContact O-O 3.13Å
76	C	98.8	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	127.7	175.5	-176.4	0	0	0	0	111.4	I67 V68 I70 I89 L142 F143	I67-C76 CarbonylContact C-O 3.59Å; I67-C76 VanDerWaalsContact CA-O 3.31Å; I67-C76 WeakPolarHBondContact CA-O 3.2Å; V68-C76 HydrophobicContact CG2-CB 4.15Å; V68-C76 PolarHBondContact N-O 3.4Å; V68-C76 PolarHBondContact O-N 2.92Å; I70-C76 HydrophobicContact CD1-CB 3.76Å; I70-C76 HydrophobicContact CG1-CB 3.72Å; C76-I89 HydrophobicContact CB-CD1 3.88Å; C76-I89 VanDerWaalsContact SG-CD1 3.6Å; C76-L142 CarbonylContact C-O 3.55Å; C76-L142 VanDerWaalsContact CA-O 3.29Å; C76-L142 WeakPolarHBondContact CA-O 3.45Å; C76-F143 HydrophobicContact CB-CD1 4.05Å; C76-F143 HydrophobicContact CB-CE1 4.05Å
77	A	98.8	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	144.1	169.4	0	0	0	0	0	111	A37 L48 V50 K66 I67 L141 L142	A37-A77 HydrophobicContact CB-CB 4.37Å; L48-A77 HydrophobicContact CB-CB 4.32Å; L48-A77 HydrophobicContact CD1-CB 4.3Å; L48-A77 HydrophobicContact CD2-CB 4.26Å; V50-A77 HydrophobicContact CG2-CB 3.7Å; K66-A77 WeakPolarHBondContact O-CA 3.42Å; I67-A77 HydrophobicContact CG1-CB 4.18Å; A77-L141 WeakPolarHBondContact O-CA 3.38Å; A77-L142 HydrophobicContact CB-CB 4.28Å; A77-L142 PolarHBondContact N-O 3.33Å; A77-L142 PolarHBondContact O-N 2.8Å
78	M	98.2	Very high	96.8	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.039	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.2	-170.2	-53	173.6	-75	0	0	111.7	K66 V68 I82 A85 I89 V139 L141	K66-M78 WeakPolarHBondContact CE-O 3.44Å; K66-M78 PolarHBondContact NZ-O 3.33Å; K66-M78 WeakPolarHBondContact O-CE 3.41Å; K66-M78 PolarHBondContact O-N 3.24Å; V68-M78 HydrophobicContact CG1-CE 3.87Å; V68-M78 HydrophobicContact CG2-CE 4.27Å; V68-M78 HydrophobicContact CG2-SD 4.45Å; M78-I82 HydrophobicContact CB-CD1 4.1Å; M78-A85 HydrophobicContact CB-CB 4.29Å; M78-A85 HydrophobicContact CG-CB 4.14Å; M78-A85 HydrophobicContact SD-CB 3.43Å; M78-A85 WeakPolarHBondContact SD-CB 3.25Å; M78-I89 HydrophobicContact CG-CD1 4.32Å; M78-I89 HydrophobicContact SD-CD1 3.9Å; M78-I89 HydrophobicContact SD-CG1 3.64Å; M78-V139 HydrophobicContact CB-CG2 4.43Å; M78-L141 HydrophobicContact CB-CD2 4.15Å; M78-L141 HydrophobicContact CG-CD2 3.67Å
79	S	98.3	Very high	96.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	141.2	166.7	-164.1	0	0	0	0	112.8	S35 V139 A140 G171	S35-S79 PolarHBondContact O-OG 2.97Å; S79-V139 CarbonylContact O-C 3.53Å; S79-V139 WeakPolarHBondContact O-CA 3.48Å; S79-V139 VanDerWaalsContact O-CG2 3.27Å; S79-V139 WeakPolarHBondContact O-CG2 3.09Å; S79-A140 PolarHBondContact N-O 2.9Å; S79-A140 PolarHBondContact O-N 2.85Å; S79-G171 WeakPolarHBondContact OG-CA 3.32Å
80	G	97.2	Very high	96.7	Very high	11 Å²	11	28 Å²	28	11%	0.113	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.2	-142.8	-172.1	0	0	0	0	0	111.5	I82 G138	G80-I82 PolarHBondContact O-N 3.49Å; G80-I82 VanDerWaalsContact O-N 3.08Å; G80-G138 WeakPolarHBondContact CA-O 3.46Å
81	L	95.3	Very high	96.6	Very high	70 Å²	70	29.9 Å²	29.9	37%	0.366	17%	0.168	S	C	.	.			trans	-74.1	94.4	178.8	-60.5	-178	0	0	0	110.7	A30 A83 D84 A85 G138	A30-L81 HydrophobicContact CB-CG 4.47Å; L81-A83 PolarHBondContact O-N 2.83Å; L81-A83 VanDerWaalsContact O-N 3.1Å; L81-D84 HydrophobicContact CB-CB 4.26Å; L81-D84 WeakPolarHBondContact O-CB 3.35Å; L81-D84 PolarHBondContact O-N 2.85Å; L81-A85 PolarHBondContact O-N 3.14Å; L81-G138 PolarHBondContact N-O 2.83Å
82	I	91.2	Very high	96.6	Very high	56 Å²	56	28.7 Å²	28.7	29%	0.287	16%	0.161	S	C	.	.	H	α-helix	trans	-58.5	-27.6	-176.9	-55.4	-57	0	0	0	113.1	M78 G80 D84 A85 K86	M78-I82 HydrophobicContact CB-CD1 4.1Å; G80-I82 PolarHBondContact O-N 3.49Å; G80-I82 VanDerWaalsContact O-N 3.08Å; I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 2.9Å; I82-A85 VanDerWaalsContact O-CB 3.31Å; I82-A85 WeakPolarHBondContact O-CB 3.5Å; I82-A85 PolarHBondContact O-N 2.87Å; I82-K86 PolarHBondContact O-N 3.21Å
83	A	92	Very high	96.7	Very high	73 Å²	73	32 Å²	32	60%	0.603	17%	0.167	S	C	*	.	H	α-helix	trans	-61.7	-40.7	174.1	0	0	0	0	0	112.3	L81 A85	L81-A83 PolarHBondContact O-N 2.83Å; L81-A83 VanDerWaalsContact O-N 3.1Å; A83-A85 VanDerWaalsContact C-N 3.32Å
84	D	94.8	Very high	96.7	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.043	18%	0.184	C	C	.	.	H	α-helix	trans	-68.9	-35.1	176.4	-69.3	7.5	0	0	0	110.8	L81 I82 K86 T87 M133 R135 F137 G138 V139	L81-D84 HydrophobicContact CB-CB 4.26Å; L81-D84 WeakPolarHBondContact O-CB 3.35Å; L81-D84 PolarHBondContact O-N 2.85Å; I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 2.9Å; D84-K86 VanDerWaalsContact C-N 3.29Å; D84-K86 PolarHBondContact O-N 3.42Å; D84-T87 PolarHBondContact O-N 2.84Å; D84-M133 HydrophobicContact CB-CE 4.16Å; D84-R135 IonicContact OD1-CZ 3.83Å; D84-R135 IonicContact OD1-NH1 2.85Å; D84-R135 IonicContact OD1-NH2 3.3Å; D84-R135 PolarHBondContact OD1-NH2 2.74Å; D84-R135 IonicContact OD2-CZ 2.8Å; D84-R135 IonicContact OD2-NH1 3.85Å; D84-R135 PolarHBondContact OD2-NH1 3.07Å; D84-R135 IonicContact OD2-NH2 3.08Å; D84-R135 PolarHBondContact OD2-NH2 3.46Å; D84-F137 HydrophobicContact CB-CB 4.33Å; D84-F137 HydrophobicContact CB-CD1 4.01Å; D84-G138 PolarHBondContact OD2-N 3.33Å; D84-V139 HydrophobicContact CB-CG1 4.46Å
85	A	95.6	Very high	96.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.2	-40.6	179	0	0	0	0	0	112.3	M78 L81 I82 A83 T87 L88 I89 V139	M78-A85 HydrophobicContact CB-CB 4.29Å; M78-A85 HydrophobicContact CG-CB 4.14Å; M78-A85 HydrophobicContact SD-CB 3.43Å; M78-A85 WeakPolarHBondContact SD-CB 3.25Å; L81-A85 PolarHBondContact O-N 3.14Å; I82-A85 VanDerWaalsContact O-CB 3.31Å; I82-A85 WeakPolarHBondContact O-CB 3.5Å; I82-A85 PolarHBondContact O-N 2.87Å; A83-A85 VanDerWaalsContact C-N 3.32Å; A85-T87 VanDerWaalsContact C-N 3.28Å; A85-T87 PolarHBondContact O-N 2.86Å; A85-L88 WeakPolarHBondContact O-CA 3.08Å; A85-L88 WeakPolarHBondContact O-CB 3.5Å; A85-L88 PolarHBondContact O-N 3.22Å; A85-I89 VanDerWaalsContact O-CG1 3.32Å; A85-I89 WeakPolarHBondContact O-CG1 3.47Å; A85-I89 PolarHBondContact O-N 3.4Å; A85-V139 HydrophobicContact CB-CB 4.45Å; A85-V139 HydrophobicContact CB-CG1 4.41Å; A85-V139 HydrophobicContact CB-CG2 3.79Å
86	K	94.3	Very high	96.6	Very high	137 Å²	137	36.9 Å²	36.9	60%	0.596	20%	0.195	S	C	*	.	H	α-helix	trans	-53.8	-43.9	-177.5	-68.9	-177.5	177.8	-173	0	112.7	I82 D84 L88 I89 D90	I82-K86 PolarHBondContact O-N 3.21Å; D84-K86 VanDerWaalsContact C-N 3.29Å; D84-K86 PolarHBondContact O-N 3.42Å; K86-L88 VanDerWaalsContact C-N 3.33Å; K86-L88 PolarHBondContact O-N 3.03Å; K86-I89 PolarHBondContact O-N 3.08Å; K86-D90 WeakPolarHBondContact O-CB 3.43Å; K86-D90 VanDerWaalsContact O-CG 3.27Å; K86-D90 PolarHBondContact O-N 3.16Å
87	T	94.8	Very high	96.6	Very high	42 Å²	42	41.2 Å²	41.2	26%	0.258	22%	0.215	S	C	.	.	H	α-helix	trans	-62.4	-40.1	177.5	-56.8	0	0	0	0	112.2	D84 A85 K91 L119 G131 F137	D84-T87 PolarHBondContact O-N 2.84Å; A85-T87 VanDerWaalsContact C-N 3.28Å; A85-T87 PolarHBondContact O-N 2.86Å; T87-K91 PolarHBondContact O-N 2.84Å; T87-L119 HydrophobicContact CG2-CD2 4.43Å; T87-G131 WeakPolarHBondContact CG2-O 3.26Å; T87-F137 HydrophobicContact CG2-CE1 3.98Å; T87-F137 HydrophobicContact CG2-CZ 4.31Å
88	L	96.7	Very high	96.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-38.3	177.3	-61.2	-176.7	0	0	0	112.1	A85 K86 K91 A92 V116 L119 F137 V139 L141 M156	A85-L88 WeakPolarHBondContact O-CA 3.08Å; A85-L88 WeakPolarHBondContact O-CB 3.5Å; A85-L88 PolarHBondContact O-N 3.22Å; K86-L88 VanDerWaalsContact C-N 3.33Å; K86-L88 PolarHBondContact O-N 3.03Å; L88-K91 WeakPolarHBondContact O-CB 3.49Å; L88-K91 PolarHBondContact O-N 3.1Å; L88-A92 WeakPolarHBondContact O-CB 3.43Å; L88-A92 PolarHBondContact O-N 3.43Å; L88-V116 HydrophobicContact CB-CG1 3.76Å; L88-V116 HydrophobicContact CD1-CG1 4.32Å; L88-V116 HydrophobicContact CD2-CG1 3.95Å; L88-V116 HydrophobicContact CG-CG1 4.22Å; L88-L119 HydrophobicContact CD2-CD2 4.01Å; L88-L119 HydrophobicContact CD2-CG 4.3Å; L88-F137 HydrophobicContact CD1-CB 4.1Å; L88-F137 HydrophobicContact CD1-CD1 4.1Å; L88-F137 HydrophobicContact CD1-CG 4.04Å; L88-F137 HydrophobicContact CD2-CD1 3.84Å; L88-F137 HydrophobicContact CD2-CD2 4Å; L88-F137 HydrophobicContact CD2-CE1 3.7Å; L88-F137 HydrophobicContact CD2-CE2 3.87Å; L88-F137 HydrophobicContact CD2-CG 4Å; L88-F137 HydrophobicContact CD2-CZ 3.73Å; L88-F137 HydrophobicContact CG-CD1 3.8Å; L88-F137 HydrophobicContact CG-CE1 4Å; L88-F137 HydrophobicContact CG-CG 4.15Å; L88-V139 HydrophobicContact CD1-CG1 3.58Å; L88-L141 HydrophobicContact CB-CD1 3.95Å; L88-L141 HydrophobicContact CD1-CD1 3.84Å; L88-M156 HydrophobicContact CD1-CE 4.39Å
89	I	98	Very high	96.6	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.036	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-42.9	175.5	-63.1	-55.6	0	0	0	111.1	V68 I70 C76 M78 A85 K86 K91 A92 R93	V68-I89 HydrophobicContact CG2-CD1 3.6Å; V68-I89 HydrophobicContact CG2-CG1 3.94Å; V68-I89 HydrophobicContact CG2-CG2 3.81Å; I70-I89 HydrophobicContact CD1-CD1 3.76Å; I70-I89 HydrophobicContact CD1-CG2 3.87Å; C76-I89 HydrophobicContact CB-CD1 3.88Å; C76-I89 VanDerWaalsContact SG-CD1 3.6Å; M78-I89 HydrophobicContact CG-CD1 4.32Å; M78-I89 HydrophobicContact SD-CD1 3.9Å; M78-I89 HydrophobicContact SD-CG1 3.64Å; A85-I89 VanDerWaalsContact O-CG1 3.32Å; A85-I89 WeakPolarHBondContact O-CG1 3.47Å; A85-I89 PolarHBondContact O-N 3.4Å; K86-I89 PolarHBondContact O-N 3.08Å; I89-K91 VanDerWaalsContact C-N 3.33Å; I89-K91 PolarHBondContact O-N 3.14Å; I89-A92 WeakPolarHBondContact O-CB 3.44Å; I89-A92 PolarHBondContact O-N 3Å; I89-R93 WeakPolarHBondContact O-CG 3.35Å; I89-R93 PolarHBondContact O-N 3.23Å
90	D	96.8	Very high	96.6	Very high	90 Å²	90	52.6 Å²	52.6	48%	0.481	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-41.9	177	-71.5	-20.2	0	0	0	110.8	K86 A92 R93 V94	K86-D90 WeakPolarHBondContact O-CB 3.43Å; K86-D90 VanDerWaalsContact O-CG 3.27Å; K86-D90 PolarHBondContact O-N 3.16Å; D90-A92 PolarHBondContact O-N 3.35Å; D90-R93 PolarHBondContact O-N 3.38Å; D90-V94 WeakPolarHBondContact O-CB 3.41Å; D90-V94 VanDerWaalsContact O-CG2 3.3Å; D90-V94 WeakPolarHBondContact O-CG2 3.09Å; D90-V94 PolarHBondContact O-N 3.11Å
91	K	96.7	Very high	96.7	Very high	47 Å²	47	59.9 Å²	59.9	20%	0.204	30%	0.295	C	S	.	.	H	α-helix	trans	-56.7	-49.9	170.9	178.3	63.7	167.8	179.5	0	111	T87 L88 I89 R93 V94 E95 L119	T87-K91 PolarHBondContact O-N 2.84Å; L88-K91 WeakPolarHBondContact O-CB 3.49Å; L88-K91 PolarHBondContact O-N 3.1Å; I89-K91 VanDerWaalsContact C-N 3.33Å; I89-K91 PolarHBondContact O-N 3.14Å; K91-R93 VanDerWaalsContact C-N 3.33Å; K91-R93 PolarHBondContact O-N 3.13Å; K91-V94 PolarHBondContact O-N 2.75Å; K91-E95 HydrophobicContact CD-CG 3.89Å; K91-E95 WeakPolarHBondContact CE-OE1 3.29Å; K91-E95 HydrophobicContact CG-CG 4.26Å; K91-E95 IonicContact NZ-OE1 2.86Å; K91-E95 PolarHBondContact NZ-OE1 2.86Å; K91-E95 WeakPolarHBondContact O-CB 3.31Å; K91-E95 VanDerWaalsContact O-CG 3.22Å; K91-E95 WeakPolarHBondContact O-CG 3.35Å; K91-E95 PolarHBondContact O-N 2.81Å; K91-L119 HydrophobicContact CB-CD2 3.6Å; K91-L119 HydrophobicContact CD-CD2 4.21Å; K91-L119 HydrophobicContact CG-CB 4.27Å; K91-L119 HydrophobicContact CG-CD2 3.68Å
92	A	98.7	Very high	96.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-56.6	-46.5	-180	0	0	0	0	0	112.1	I70 L88 I89 D90 E95 T96 V112 V116 F143	I70-A92 HydrophobicContact CD1-CB 4Å; I70-A92 HydrophobicContact CG1-CB 4.47Å; I70-A92 HydrophobicContact CG2-CB 3.67Å; L88-A92 WeakPolarHBondContact O-CB 3.43Å; L88-A92 PolarHBondContact O-N 3.43Å; I89-A92 WeakPolarHBondContact O-CB 3.44Å; I89-A92 PolarHBondContact O-N 3Å; D90-A92 PolarHBondContact O-N 3.35Å; A92-E95 PolarHBondContact O-N 3.4Å; A92-T96 WeakPolarHBondContact O-CG2 3.25Å; A92-T96 PolarHBondContact O-N 2.88Å; A92-T96 PolarHBondContact O-OG1 2.93Å; A92-V112 HydrophobicContact CB-CG1 3.83Å; A92-V116 HydrophobicContact CB-CG2 3.63Å; A92-F143 HydrophobicContact CB-CE1 4.16Å
93	R	98.7	Very high	97.1	Very high	100 Å²	100	65.2 Å²	65.2	38%	0.377	32%	0.317	S	S	.	.	H	α-helix	trans	-64.7	-41.4	177.9	-73.3	172.8	171.5	173.2	-3.5	112.6	E69 I70 I89 D90 K91 T96 Q97	E69-R93 PolarHBondContact O-NE 3.22Å; E69-R93 PolarHBondContact O-NH2 3.41Å; I70-R93 HydrophobicContact CG2-CG 4.44Å; I89-R93 WeakPolarHBondContact O-CG 3.35Å; I89-R93 PolarHBondContact O-N 3.23Å; D90-R93 PolarHBondContact O-N 3.38Å; K91-R93 VanDerWaalsContact C-N 3.33Å; K91-R93 PolarHBondContact O-N 3.13Å; R93-T96 PolarHBondContact O-OG1 2.79Å; R93-Q97 VanDerWaalsContact O-CG 3.26Å; R93-Q97 WeakPolarHBondContact O-CG 3.22Å; R93-Q97 PolarHBondContact O-N 3.01Å
94	V	98.1	Very high	97.4	Very high	76 Å²	76	68 Å²	68	46%	0.461	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-43	177.4	169	0	0	0	0	110.7	D90 K91 N98	D90-V94 WeakPolarHBondContact O-CB 3.41Å; D90-V94 VanDerWaalsContact O-CG2 3.3Å; D90-V94 WeakPolarHBondContact O-CG2 3.09Å; D90-V94 PolarHBondContact O-N 3.11Å; K91-V94 PolarHBondContact O-N 2.75Å; V94-N98 VanDerWaalsContact CG1-ND2 3.34Å; V94-N98 WeakPolarHBondContact CG1-ND2 3.42Å; V94-N98 VanDerWaalsContact O-CB 3.24Å; V94-N98 WeakPolarHBondContact O-CB 3.36Å; V94-N98 PolarHBondContact O-N 3.2Å; V94-N98 PolarHBondContact O-ND2 3.03Å
95	E	98.2	Very high	97.5	Very high	48 Å²	48	72.8 Å²	72.8	22%	0.224	34%	0.344	C	S	.	.	H	α-helix	trans	-64.7	-43.6	179.5	-67.7	-64.4	149.7	0	0	112.2	K91 A92 N98 H99 M107 A115	K91-E95 HydrophobicContact CD-CG 3.89Å; K91-E95 WeakPolarHBondContact CE-OE1 3.29Å; K91-E95 HydrophobicContact CG-CG 4.26Å; K91-E95 IonicContact NZ-OE1 2.86Å; K91-E95 PolarHBondContact NZ-OE1 2.86Å; K91-E95 WeakPolarHBondContact O-CB 3.31Å; K91-E95 VanDerWaalsContact O-CG 3.22Å; K91-E95 WeakPolarHBondContact O-CG 3.35Å; K91-E95 PolarHBondContact O-N 2.81Å; A92-E95 PolarHBondContact O-N 3.4Å; E95-N98 PolarHBondContact O-N 2.98Å; E95-H99 VanDerWaalsContact O-CB 3.25Å; E95-H99 WeakPolarHBondContact O-CB 3.43Å; E95-H99 PolarHBondContact O-N 3.42Å; E95-M107 HydrophobicContact CB-CE 4.29Å; E95-M107 HydrophobicContact CB-SD 4.1Å; E95-A115 HydrophobicContact CB-CB 4.25Å; E95-A115 HydrophobicContact CG-CB 3.8Å
96	T	98.6	Very high	97.5	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-46.6	177.5	52	0	0	0	0	112.1	I70 D71 I74 A92 R93 H99 W100 M107 V112	I70-T96 HydrophobicContact CG2-CG2 3.94Å; D71-T96 HydrophobicContact CB-CG2 4.11Å; I74-T96 HydrophobicContact CD1-CG2 4.44Å; A92-T96 WeakPolarHBondContact O-CG2 3.25Å; A92-T96 PolarHBondContact O-N 2.88Å; A92-T96 PolarHBondContact O-OG1 2.93Å; R93-T96 PolarHBondContact O-OG1 2.79Å; T96-H99 PolarHBondContact O-N 2.81Å; T96-W100 PolarHBondContact O-N 2.85Å; T96-M107 HydrophobicContact CG2-CB 4.25Å; T96-M107 HydrophobicContact CG2-SD 4.37Å; T96-V112 HydrophobicContact CG2-CB 4.44Å; T96-V112 HydrophobicContact CG2-CG1 4.24Å; T96-V112 HydrophobicContact CG2-CG2 3.29Å
97	Q	98.5	Very high	97.7	Very high	92 Å²	92	70.7 Å²	70.7	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-67.4	-39.7	179.9	-63.1	-53.4	-62.2	0	0	112.2	R93 W100 F101	R93-Q97 VanDerWaalsContact O-CG 3.26Å; R93-Q97 WeakPolarHBondContact O-CG 3.22Å; R93-Q97 PolarHBondContact O-N 3.01Å; Q97-W100 PolarHBondContact O-N 2.85Å; Q97-F101 WeakPolarHBondContact O-CB 3.33Å; Q97-F101 PolarHBondContact O-N 2.87Å
98	N	98.4	Very high	97.9	Very high	82 Å²	82	69.8 Å²	69.8	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-65.3	-41.3	175.6	-75.5	-18.7	0	0	0	112.2	V94 E95 F101 T102	V94-N98 VanDerWaalsContact CG1-ND2 3.34Å; V94-N98 WeakPolarHBondContact CG1-ND2 3.42Å; V94-N98 VanDerWaalsContact O-CB 3.24Å; V94-N98 WeakPolarHBondContact O-CB 3.36Å; V94-N98 PolarHBondContact O-N 3.2Å; V94-N98 PolarHBondContact O-ND2 3.03Å; E95-N98 PolarHBondContact O-N 2.98Å; N98-F101 PolarHBondContact O-N 3.31Å; N98-T102 VanDerWaalsContact O-CB 3.28Å; N98-T102 WeakPolarHBondContact O-CB 3.42Å; N98-T102 PolarHBondContact O-N 2.83Å; N98-T102 PolarHBondContact O-OG1 2.91Å
99	H	98.6	Very high	98	Very high	36 Å²	36	69.7 Å²	69.7	17%	0.167	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-48.7	176.2	-174	94	0	0	0	110.8	E95 T96 F101 T102 Y103 E105 M107	E95-H99 VanDerWaalsContact O-CB 3.25Å; E95-H99 WeakPolarHBondContact O-CB 3.43Å; E95-H99 PolarHBondContact O-N 3.42Å; T96-H99 PolarHBondContact O-N 2.81Å; H99-F101 PolarHBondContact O-N 3.32Å; H99-T102 PolarHBondContact O-N 2.97Å; H99-Y103 HydrophobicContact CB-CD2 4.46Å; H99-Y103 AromaticContact CE1-CD2 3.54Å; H99-Y103 AromaticContact CG-CD2 3.78Å; H99-Y103 AromaticContact ND1-CD2 3.42Å; H99-Y103 WeakPolarHBondContact ND1-CD2 3.49Å; H99-Y103 AromaticContact ND1-CE2 3.7Å; H99-Y103 AromaticContact NE2-CD2 3.97Å; H99-Y103 WeakPolarHBondContact O-CB 3.17Å; H99-Y103 WeakPolarHBondContact O-CD2 3.37Å; H99-Y103 PolarHBondContact O-N 3.49Å; H99-E105 PolarHBondContact CD2-O 2.85Å; H99-E105 IonicContact NE2-OE1 3.67Å; H99-M107 HydrophobicContact CB-CB 3.88Å; H99-M107 HydrophobicContact CB-CG 3.99Å; H99-M107 HydrophobicContact CB-SD 3.83Å; H99-M107 VanDerWaalsContact CD2-CA 3.48Å; H99-M107 WeakPolarHBondContact CD2-CA 3.3Å
100	W	97.9	Very high	98	Very high	129 Å²	129	72.6 Å²	72.6	49%	0.489	35%	0.35	S	S	.	.	H	α-helix	trans	-59.2	-45.1	175.3	177	78.7	0	0	0	112.4	T96 Q97 T102 N104 E105	T96-W100 PolarHBondContact O-N 2.85Å; Q97-W100 PolarHBondContact O-N 2.85Å; W100-T102 VanDerWaalsContact C-N 3.31Å; W100-T102 PolarHBondContact O-N 2.92Å; W100-N104 WeakPolarHBondContact O-CA 3.38Å; W100-N104 PolarHBondContact O-N 2.74Å; W100-E105 VanDerWaalsContact CA-O 3.25Å; W100-E105 WeakPolarHBondContact CA-O 3.06Å
101	F	98.3	Very high	98.1	Very high	164 Å²	164	70.6 Å²	70.6	72%	0.719	34%	0.342	S	S	*	.	H	α-helix	trans	-62.5	-37.5	178.1	179.7	-97.5	0	0	0	112.9	Q97 N98 H99	Q97-F101 WeakPolarHBondContact O-CB 3.33Å; Q97-F101 PolarHBondContact O-N 2.87Å; N98-F101 PolarHBondContact O-N 3.31Å; H99-F101 PolarHBondContact O-N 3.32Å
102	T	98.5	Very high	98.2	Very high	90 Å²	90	68.3 Å²	68.3	55%	0.552	33%	0.333	S	S	*	.	H	α-helix	trans	-82.7	-41.5	-174.1	-55.7	0	0	0	0	112.4	N98 H99 W100	N98-T102 VanDerWaalsContact O-CB 3.28Å; N98-T102 WeakPolarHBondContact O-CB 3.42Å; N98-T102 PolarHBondContact O-N 2.83Å; N98-T102 PolarHBondContact O-OG1 2.91Å; H99-T102 PolarHBondContact O-N 2.97Å; W100-T102 VanDerWaalsContact C-N 3.31Å; W100-T102 PolarHBondContact O-N 2.92Å
103	Y	98	Very high	98.2	Very high	148 Å²	148	68.3 Å²	68.3	58%	0.58	33%	0.333	S	S	*	.	H	α-helix	trans	-109.4	-9.4	-171	-57.2	-68.6	0	0	0	113.4	H99 E105	H99-Y103 HydrophobicContact CB-CD2 4.46Å; H99-Y103 AromaticContact CE1-CD2 3.54Å; H99-Y103 AromaticContact CG-CD2 3.78Å; H99-Y103 AromaticContact ND1-CD2 3.42Å; H99-Y103 WeakPolarHBondContact ND1-CD2 3.49Å; H99-Y103 AromaticContact ND1-CE2 3.7Å; H99-Y103 AromaticContact NE2-CD2 3.97Å; H99-Y103 WeakPolarHBondContact O-CB 3.17Å; H99-Y103 WeakPolarHBondContact O-CD2 3.37Å; H99-Y103 PolarHBondContact O-N 3.49Å; Y103-E105 PolarHBondContact O-N 2.79Å
104	N	96.9	Very high	98.2	Very high	132 Å²	132	67.3 Å²	67.3	71%	0.706	33%	0.332	S	S	*	.	S	Bend	trans	55.8	35.9	-176.4	-170.2	63.7	0	0	0	112.6	W100	W100-N104 WeakPolarHBondContact O-CA 3.38Å; W100-N104 PolarHBondContact O-N 2.74Å
105	E	96.8	Very high	98.2	Very high	108 Å²	108	64.3 Å²	64.3	51%	0.505	32%	0.315	S	S	.	.	S	Bend	trans	-143.2	158.4	174.5	68.8	-172.2	173.5	0	0	110.4	H99 W100 Y103	H99-E105 PolarHBondContact CD2-O 2.85Å; H99-E105 IonicContact NE2-OE1 3.67Å; W100-E105 VanDerWaalsContact CA-O 3.25Å; W100-E105 WeakPolarHBondContact CA-O 3.06Å; Y103-E105 PolarHBondContact O-N 2.79Å
106	T	96.6	Very high	98.1	Very high	80 Å²	80	62 Å²	62	49%	0.491	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-76.1	134.9	178.1	49.2	0	0	0	0	110.7
107	M	98.3	Very high	98	Very high	13 Å²	13	62 Å²	62	6%	0.064	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-66.4	137.1	178.2	-162.4	171.5	-169.9	0	0	111.3	H73 E95 T96 H99 V112 A115	H73-M107 PolarHBondContact NE2-O 3.16Å; E95-M107 HydrophobicContact CB-CE 4.29Å; E95-M107 HydrophobicContact CB-SD 4.1Å; T96-M107 HydrophobicContact CG2-CB 4.25Å; T96-M107 HydrophobicContact CG2-SD 4.37Å; H99-M107 HydrophobicContact CB-CB 3.88Å; H99-M107 HydrophobicContact CB-CG 3.99Å; H99-M107 HydrophobicContact CB-SD 3.83Å; H99-M107 VanDerWaalsContact CD2-CA 3.48Å; H99-M107 WeakPolarHBondContact CD2-CA 3.3Å; M107-V112 HydrophobicContact CB-CG2 3.94Å; M107-V112 HydrophobicContact CG-CG2 3.68Å; M107-V112 HydrophobicContact SD-CG2 3.57Å; M107-V112 VanDerWaalsContact SD-CG2 3.57Å; M107-A115 HydrophobicContact CE-CB 4.31Å
108	T	98.4	Very high	97.9	Very high	22 Å²	22	61.2 Å²	61.2	14%	0.135	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-68.6	153.6	177.9	64.8	0	0	0	0	111.9	E110 S111 V112 D147 E148	T108-E110 PolarHBondContact O-N 2.89Å; T108-S111 PolarHBondContact O-N 2.94Å; T108-S111 VanDerWaalsContact O-N 3.07Å; T108-S111 WeakPolarHBondContact OG1-CB 3.36Å; T108-S111 PolarHBondContact OG1-N 2.75Å; T108-S111 PolarHBondContact OG1-OG 2.75Å; T108-V112 WeakPolarHBondContact O-CG2 3.43Å; T108-V112 PolarHBondContact O-N 3Å; T108-V112 VanDerWaalsContact O-N 3.07Å; T108-D147 WeakPolarHBondContact CA-OD2 3.41Å; T108-D147 VanDerWaalsContact CB-OD2 3.24Å; T108-D147 WeakPolarHBondContact CB-OD2 3.29Å; T108-E148 HydrophobicContact CG2-CG 4.48Å
109	V	98.7	Very high	97.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-40.1	-178.7	-170.4	0	0	0	0	110.6	I74 T113 F143 D147 Q152 F154	I74-V109 HydrophobicContact CD1-CG2 4.36Å; I74-V109 HydrophobicContact CG1-CG2 4.24Å; V109-T113 WeakPolarHBondContact O-CB 3.11Å; V109-T113 PolarHBondContact O-N 2.82Å; V109-T113 PolarHBondContact O-OG1 3.22Å; V109-F143 HydrophobicContact CG1-CB 4.06Å; V109-D147 HydrophobicContact CG2-CB 4.45Å; V109-D147 PolarHBondContact N-OD2 2.83Å; V109-Q152 HydrophobicContact CB-CB 4.19Å; V109-Q152 HydrophobicContact CG2-CB 4.23Å; V109-F154 HydrophobicContact CB-CD2 4.27Å; V109-F154 HydrophobicContact CB-CE2 4.31Å; V109-F154 HydrophobicContact CG1-CD2 3.83Å; V109-F154 HydrophobicContact CG1-CE2 4.36Å
110	E	98.7	Very high	97.4	Very high	68 Å²	68	55.9 Å²	55.9	32%	0.318	28%	0.276	S	S	.	.	H	α-helix	trans	-59.7	-45.1	174.7	-173.6	174.7	-166.1	0	0	111.9	T108 T113 Q114 K149 F154 F162	T108-E110 PolarHBondContact O-N 2.89Å; E110-T113 PolarHBondContact O-N 3.26Å; E110-Q114 WeakPolarHBondContact O-CB 3.24Å; E110-Q114 PolarHBondContact O-N 2.9Å; E110-K149 IonicContact OE2-NZ 3.44Å; E110-K149 PolarHBondContact OE2-NZ 3.32Å; E110-F154 HydrophobicContact CB-CE1 4.27Å; E110-F154 HydrophobicContact CB-CE2 3.87Å; E110-F154 HydrophobicContact CB-CZ 3.55Å; E110-F154 HydrophobicContact CG-CE1 4.07Å; E110-F154 HydrophobicContact CG-CZ 3.77Å; E110-F162 HydrophobicContact CG-CE2 4.25Å
111	S	98.6	Very high	97.1	Very high	47 Å²	47	53.9 Å²	53.9	33%	0.329	28%	0.275	S	S	.	.	H	α-helix	trans	-67.8	-41.5	-177.3	-59.4	0	0	0	0	111.8	T108 T113 Q114 A115	T108-S111 PolarHBondContact O-N 2.94Å; T108-S111 VanDerWaalsContact O-N 3.07Å; T108-S111 WeakPolarHBondContact OG1-CB 3.36Å; T108-S111 PolarHBondContact OG1-N 2.75Å; T108-S111 PolarHBondContact OG1-OG 2.75Å; S111-T113 VanDerWaalsContact C-N 3.33Å; S111-Q114 PolarHBondContact O-N 3.11Å; S111-A115 WeakPolarHBondContact O-CB 3.42Å; S111-A115 PolarHBondContact O-N 2.59Å
112	V	98.7	Very high	96.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-46.6	174.4	177.7	0	0	0	0	110.1	I70 I74 A92 T96 M107 T108 Q114 A115 V116 F143	I70-V112 HydrophobicContact CG2-CG1 4.13Å; I74-V112 HydrophobicContact CD1-CB 4.36Å; I74-V112 HydrophobicContact CD1-CG2 3.69Å; A92-V112 HydrophobicContact CB-CG1 3.83Å; T96-V112 HydrophobicContact CG2-CB 4.44Å; T96-V112 HydrophobicContact CG2-CG1 4.24Å; T96-V112 HydrophobicContact CG2-CG2 3.29Å; M107-V112 HydrophobicContact CB-CG2 3.94Å; M107-V112 HydrophobicContact CG-CG2 3.68Å; M107-V112 HydrophobicContact SD-CG2 3.57Å; M107-V112 VanDerWaalsContact SD-CG2 3.57Å; T108-V112 WeakPolarHBondContact O-CG2 3.43Å; T108-V112 PolarHBondContact O-N 3Å; T108-V112 VanDerWaalsContact O-N 3.07Å; V112-Q114 VanDerWaalsContact C-N 3.34Å; V112-Q114 PolarHBondContact O-N 2.86Å; V112-A115 PolarHBondContact O-N 2.88Å; V112-V116 WeakPolarHBondContact O-CG2 3.24Å; V112-V116 PolarHBondContact O-N 3.2Å; V112-V116 VanDerWaalsContact O-N 3.08Å; V112-F143 HydrophobicContact CG1-CD1 4.39Å; V112-F143 HydrophobicContact CG1-CE1 4.15Å
113	T	98.7	Very high	96.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-46.3	178.3	-53.8	0	0	0	0	110.8	V109 E110 S111 A115 V116 S117 F143 F154 M156 F162	V109-T113 WeakPolarHBondContact O-CB 3.11Å; V109-T113 PolarHBondContact O-N 2.82Å; V109-T113 PolarHBondContact O-OG1 3.22Å; E110-T113 PolarHBondContact O-N 3.26Å; S111-T113 VanDerWaalsContact C-N 3.33Å; T113-A115 PolarHBondContact O-N 2.85Å; T113-V116 PolarHBondContact O-N 3.35Å; T113-S117 WeakPolarHBondContact O-CB 3.36Å; T113-S117 PolarHBondContact O-N 2.91Å; T113-F143 HydrophobicContact CG2-CD2 3.98Å; T113-F143 HydrophobicContact CG2-CE2 4.37Å; T113-F154 HydrophobicContact CG2-CB 3.94Å; T113-F154 HydrophobicContact CG2-CG 4.48Å; T113-M156 HydrophobicContact CG2-CB 4.07Å; T113-F162 HydrophobicContact CG2-CB 3.54Å; T113-F162 HydrophobicContact CG2-CD2 3.72Å; T113-F162 HydrophobicContact CG2-CG 3.67Å
114	Q	98.5	Very high	95.3	Very high	78 Å²	78	38.8 Å²	38.8	36%	0.364	21%	0.212	S	C	.	.	H	α-helix	trans	-60.5	-42.5	177.2	179.2	68.6	79.8	0	0	112.2	E110 S111 V112 V116 S117 N118 F162	E110-Q114 WeakPolarHBondContact O-CB 3.24Å; E110-Q114 PolarHBondContact O-N 2.9Å; S111-Q114 PolarHBondContact O-N 3.11Å; V112-Q114 VanDerWaalsContact C-N 3.34Å; V112-Q114 PolarHBondContact O-N 2.86Å; Q114-V116 VanDerWaalsContact C-N 3.34Å; Q114-V116 PolarHBondContact O-N 3.42Å; Q114-S117 WeakPolarHBondContact O-CB 3.23Å; Q114-S117 PolarHBondContact O-N 2.94Å; Q114-N118 PolarHBondContact NE2-OD1 2.89Å; Q114-N118 PolarHBondContact O-N 2.81Å; Q114-N118 PolarHBondContact O-ND2 2.95Å; Q114-N118 PolarHBondContact O-OD1 2.86Å; Q114-F162 HydrophobicContact CB-CE1 4.17Å; Q114-F162 HydrophobicContact CB-CZ 4.06Å; Q114-F162 VanDerWaalsContact CD-CE1 3.48Å; Q114-F162 HydrophobicContact CG-CE1 4.44Å
115	A	97.5	Very high	94.6	Very high	13 Å²	13	37.9 Å²	37.9	11%	0.107	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-38.9	180	0	0	0	0	0	112.1	E95 M107 S111 V112 T113 L119	E95-A115 HydrophobicContact CB-CB 4.25Å; E95-A115 HydrophobicContact CG-CB 3.8Å; M107-A115 HydrophobicContact CE-CB 4.31Å; S111-A115 WeakPolarHBondContact O-CB 3.42Å; S111-A115 PolarHBondContact O-N 2.59Å; V112-A115 PolarHBondContact O-N 2.88Å; T113-A115 PolarHBondContact O-N 2.85Å; A115-L119 PolarHBondContact O-N 2.99Å
116	V	97.5	Very high	93.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69	-39.4	172.9	178.7	0	0	0	0	111.1	L88 A92 V112 T113 Q114 N118 L119 A120 L141 F143 M156	L88-V116 HydrophobicContact CB-CG1 3.76Å; L88-V116 HydrophobicContact CD1-CG1 4.32Å; L88-V116 HydrophobicContact CD2-CG1 3.95Å; L88-V116 HydrophobicContact CG-CG1 4.22Å; A92-V116 HydrophobicContact CB-CG2 3.63Å; V112-V116 WeakPolarHBondContact O-CG2 3.24Å; V112-V116 PolarHBondContact O-N 3.2Å; V112-V116 VanDerWaalsContact O-N 3.08Å; T113-V116 PolarHBondContact O-N 3.35Å; Q114-V116 VanDerWaalsContact C-N 3.34Å; Q114-V116 PolarHBondContact O-N 3.42Å; V116-N118 VanDerWaalsContact C-N 3.31Å; V116-N118 PolarHBondContact O-N 2.79Å; V116-L119 PolarHBondContact O-N 2.86Å; V116-A120 PolarHBondContact O-N 2.86Å; V116-L141 HydrophobicContact CG1-CD1 3.97Å; V116-F143 HydrophobicContact CB-CZ 4.28Å; V116-F143 HydrophobicContact CG1-CZ 4.25Å; V116-F143 HydrophobicContact CG2-CZ 3.97Å; V116-M156 HydrophobicContact CG1-CE 4Å; V116-M156 HydrophobicContact CG1-SD 4.35Å
117	S	96.6	Very high	92.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-41.7	174.9	-138.6	0	0	0	0	112.3	T113 Q114 L119 A120 L121 G160	T113-S117 WeakPolarHBondContact O-CB 3.36Å; T113-S117 PolarHBondContact O-N 2.91Å; Q114-S117 WeakPolarHBondContact O-CB 3.23Å; Q114-S117 PolarHBondContact O-N 2.94Å; S117-L119 PolarHBondContact O-N 2.88Å; S117-A120 CarbonylContact O-C 3.53Å; S117-A120 PolarHBondContact O-N 2.88Å; S117-A120 VanDerWaalsContact O-N 3.14Å; S117-L121 WeakPolarHBondContact O-CG 3.4Å; S117-L121 PolarHBondContact O-N 2.77Å; S117-G160 PolarHBondContact OG-O 3.5Å
118	N	94.8	Very high	91.2	Very high	75 Å²	75	46.8 Å²	46.8	40%	0.401	25%	0.25	S	C	.	.	H	α-helix	trans	-62.4	-43.3	176.9	-68.6	-13.9	0	0	0	111.4	Q114 V116 A120 L121 Q122	Q114-N118 PolarHBondContact NE2-OD1 2.89Å; Q114-N118 PolarHBondContact O-N 2.81Å; Q114-N118 PolarHBondContact O-ND2 2.95Å; Q114-N118 PolarHBondContact O-OD1 2.86Å; V116-N118 VanDerWaalsContact C-N 3.31Å; V116-N118 PolarHBondContact O-N 2.79Å; N118-A120 VanDerWaalsContact C-N 3.29Å; N118-A120 PolarHBondContact O-N 2.89Å; N118-L121 PolarHBondContact O-N 2.92Å; N118-Q122 WeakPolarHBondContact O-CG 3.37Å; N118-Q122 PolarHBondContact O-N 2.83Å
119	L	93.9	Very high	89.8	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-39.6	173.6	176.8	61.2	0	0	0	111.6	T87 L88 K91 A115 V116 S117 L121 Q122 A132 F137	T87-L119 HydrophobicContact CG2-CD2 4.43Å; L88-L119 HydrophobicContact CD2-CD2 4.01Å; L88-L119 HydrophobicContact CD2-CG 4.3Å; K91-L119 HydrophobicContact CB-CD2 3.6Å; K91-L119 HydrophobicContact CD-CD2 4.21Å; K91-L119 HydrophobicContact CG-CB 4.27Å; K91-L119 HydrophobicContact CG-CD2 3.68Å; A115-L119 PolarHBondContact O-N 2.99Å; V116-L119 PolarHBondContact O-N 2.86Å; S117-L119 PolarHBondContact O-N 2.88Å; L119-L121 PolarHBondContact O-N 2.89Å; L119-Q122 PolarHBondContact O-N 2.76Å; L119-A132 HydrophobicContact CD1-CB 4.2Å; L119-F137 HydrophobicContact CG-CE2 4.46Å; L119-F137 HydrophobicContact CG-CZ 4.28Å
120	A	93	Very high	88.6	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-68.9	-19.5	177.8	0	0	0	0	0	114	V116 S117 N118 F123 F137 M156	V116-A120 PolarHBondContact O-N 2.86Å; S117-A120 CarbonylContact O-C 3.53Å; S117-A120 PolarHBondContact O-N 2.88Å; S117-A120 VanDerWaalsContact O-N 3.14Å; N118-A120 VanDerWaalsContact C-N 3.29Å; N118-A120 PolarHBondContact O-N 2.89Å; A120-F123 WeakPolarHBondContact O-CD1 3.37Å; A120-F137 HydrophobicContact CB-CD2 4.09Å; A120-F137 HydrophobicContact CB-CE2 4.47Å; A120-M156 HydrophobicContact CB-CE 3.22Å
121	L	91.6	Very high	87.5	Confident	87 Å²	87	54.3 Å²	54.3	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-80.9	-22.5	174.2	-72.7	170	0	0	0	113.3	S117 N118 L119 F123 S159	S117-L121 WeakPolarHBondContact O-CG 3.4Å; S117-L121 PolarHBondContact O-N 2.77Å; N118-L121 PolarHBondContact O-N 2.92Å; L119-L121 PolarHBondContact O-N 2.89Å; L121-F123 PolarHBondContact O-N 3.31Å; L121-F123 VanDerWaalsContact O-N 3.1Å; L121-S159 VanDerWaalsContact CD2-O 3.27Å; L121-S159 WeakPolarHBondContact CD2-O 3.18Å
122	Q	90.5	Very high	86.6	Confident	38 Å²	38	53.4 Å²	53.4	18%	0.178	30%	0.303	C	S	.	.			trans	-75.9	8.9	-174.4	-69.7	171.3	-11.2	0	0	114	N118 L119 G124 E125 A128 D129 A132	N118-Q122 WeakPolarHBondContact O-CG 3.37Å; N118-Q122 PolarHBondContact O-N 2.83Å; L119-Q122 PolarHBondContact O-N 2.76Å; Q122-G124 PolarHBondContact O-N 3.04Å; Q122-E125 PolarHBondContact O-N 3.26Å; Q122-A128 HydrophobicContact CB-CB 4.37Å; Q122-D129 PolarHBondContact NE2-OD2 2.86Å; Q122-A132 HydrophobicContact CB-CB 4Å
123	F	85.4	Confident	85.8	Confident	20 Å²	20	55.3 Å²	55.3	9%	0.088	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	138.3	-178.3	62.7	-101.6	0	0	0	111.8	V12 V24 A120 L121 E125 M133 R135 P136	V12-F123 HydrophobicContact CB-CD2 4.22Å; V12-F123 HydrophobicContact CG2-CD2 4.34Å; V12-F123 WeakPolarHBondContact O-CE2 3.41Å; V24-F123 HydrophobicContact CG2-CE1 4.09Å; V24-F123 HydrophobicContact CG2-CE2 4.41Å; V24-F123 HydrophobicContact CG2-CZ 3.6Å; A120-F123 WeakPolarHBondContact O-CD1 3.37Å; L121-F123 PolarHBondContact O-N 3.31Å; L121-F123 VanDerWaalsContact O-N 3.1Å; F123-E125 PolarHBondContact O-N 3.31Å; F123-M133 WeakPolarHBondContact CA-O 3.32Å; F123-M133 WeakPolarHBondContact CB-O 3.44Å; F123-R135 WeakPolarHBondContact CB-O 3.17Å; F123-P136 HydrophobicContact CD1-CB 3.96Å; F123-P136 HydrophobicContact CD1-CG 3.83Å; F123-P136 HydrophobicContact CD2-CG 3.89Å; F123-P136 HydrophobicContact CE1-CB 4.15Å; F123-P136 HydrophobicContact CE1-CG 3.86Å; F123-P136 HydrophobicContact CE2-CG 3.9Å; F123-P136 HydrophobicContact CG-CB 4.35Å; F123-P136 HydrophobicContact CG-CG 3.9Å; F123-P136 HydrophobicContact CZ-CG 3.91Å
124	G	81.3	Confident	85.3	Confident	26 Å²	26	60 Å²	60	27%	0.268	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	5.4	177.6	0	0	0	0	0	115.5	Q122 M133	Q122-G124 PolarHBondContact O-N 3.04Å; G124-M133 PolarHBondContact N-O 2.88Å; G124-M133 VanDerWaalsContact N-O 3.1Å
125	E	83.3	Confident	85.1	Confident	113 Å²	113	60.8 Å²	60.8	53%	0.528	34%	0.344	S	S	.	.			trans	-73.7	137	168	-65.5	-176.2	171.3	0	0	110.2	Q122 F123 A128	Q122-E125 PolarHBondContact O-N 3.26Å; F123-E125 PolarHBondContact O-N 3.31Å; E125-A128 HydrophobicContact CB-CB 3.98Å
126	E	70.8	Confident	85	Confident	192 Å²	192	60.3 Å²	60.3	90%	0.897	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-34.2	-177.3	-67.6	-176.2	173	0	0	112.4
127	D	74.2	Confident	84.9	Confident	164 Å²	164	60.4 Å²	60.4	88%	0.877	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	36.2	-177	-65.7	-44.7	0	0	0	112.3
128	A	73.7	Confident	84.9	Confident	32 Å²	32	60.4 Å²	60.4	26%	0.264	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-72	158.1	-175.2	0	0	0	0	0	113.6	Q122 E125 A132	Q122-A128 HydrophobicContact CB-CB 4.37Å; E125-A128 HydrophobicContact CB-CB 3.98Å; A128-A132 HydrophobicContact CB-CB 3.31Å
129	D	70.2	Confident	85.1	Confident	81 Å²	81	56.9 Å²	56.9	43%	0.433	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-57.9	151.7	175.1	-84	-30.4	0	0	0	111.7	Q122 G131 A132	Q122-D129 PolarHBondContact NE2-OD2 2.86Å; D129-G131 PolarHBondContact O-N 2.92Å; D129-A132 WeakPolarHBondContact O-CB 3.2Å; D129-A132 PolarHBondContact O-N 2.7Å
130	P	74.2	Confident	85.3	Confident	132 Å²	132	56.6 Å²	56.6	86%	0.857	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	118.5	170	-23	32.7	0	0	0	111
131	G	73.8	Confident	85.5	Confident	36 Å²	36	56.6 Å²	56.6	37%	0.371	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.1	-17.7	-178.4	0	0	0	0	0	114	T87 D129 M133	T87-G131 WeakPolarHBondContact CG2-O 3.26Å; D129-G131 PolarHBondContact O-N 2.92Å; G131-M133 PolarHBondContact O-N 3.29Å
132	A	80.3	Confident	85.9	Confident	27 Å²	27	52.4 Å²	52.4	22%	0.223	30%	0.299	C	S	.	.			trans	-60.5	137.2	168.8	0	0	0	0	0	110	L119 Q122 A128 D129	L119-A132 HydrophobicContact CD1-CB 4.2Å; Q122-A132 HydrophobicContact CB-CB 4Å; A128-A132 HydrophobicContact CB-CB 3.31Å; D129-A132 WeakPolarHBondContact O-CB 3.2Å; D129-A132 PolarHBondContact O-N 2.7Å
133	M	83	Confident	86.3	Confident	40 Å²	40	50.6 Å²	50.6	20%	0.197	29%	0.29	C	S	.	.			trans	-96.9	155.7	-176.9	-70.3	-162	-177.1	0	0	110.9	D84 F123 G124 G131 R135 F137	D84-M133 HydrophobicContact CB-CE 4.16Å; F123-M133 WeakPolarHBondContact CA-O 3.32Å; F123-M133 WeakPolarHBondContact CB-O 3.44Å; G124-M133 PolarHBondContact N-O 2.88Å; G124-M133 VanDerWaalsContact N-O 3.1Å; G131-M133 PolarHBondContact O-N 3.29Å; M133-R135 WeakPolarHBondContact CB-O 3.41Å; M133-R135 PolarHBondContact O-N 3.07Å; M133-R135 VanDerWaalsContact O-N 3.13Å; M133-F137 HydrophobicContact CB-CZ 4.42Å; M133-F137 HydrophobicContact CE-CD1 3.83Å; M133-F137 HydrophobicContact CE-CE1 3.6Å; M133-F137 HydrophobicContact CG-CD1 4.33Å; M133-F137 HydrophobicContact CG-CE1 3.77Å; M133-F137 HydrophobicContact CG-CZ 3.87Å; M133-F137 HydrophobicContact SD-CD1 3.92Å; M133-F137 HydrophobicContact SD-CE1 3.89Å
134	S	88.3	Confident	86.9	Confident	99 Å²	99	49.7 Å²	49.7	69%	0.692	29%	0.286	S	S	*	.	S	Bend	trans	-69.1	-5.5	171.9	58.3	0	0	0	0	113.6	V12	V12-S134 WeakPolarHBondContact CG1-O 3.37Å
135	R	92.8	Very high	87.8	Confident	94 Å²	94	48.4 Å²	48.4	36%	0.355	27%	0.273	S	S	.	.	S	Bend	trans	-142.4	160.9	-179.8	59.6	166.4	-179.8	76.5	2.4	110.1	V12 D84 F123 M133	V12-R135 HydrophobicContact CG1-CB 4.32Å; D84-R135 IonicContact OD1-CZ 3.83Å; D84-R135 IonicContact OD1-NH1 2.85Å; D84-R135 IonicContact OD1-NH2 3.3Å; D84-R135 PolarHBondContact OD1-NH2 2.74Å; D84-R135 IonicContact OD2-CZ 2.8Å; D84-R135 IonicContact OD2-NH1 3.85Å; D84-R135 PolarHBondContact OD2-NH1 3.07Å; D84-R135 IonicContact OD2-NH2 3.08Å; D84-R135 PolarHBondContact OD2-NH2 3.46Å; F123-R135 WeakPolarHBondContact CB-O 3.17Å; M133-R135 WeakPolarHBondContact CB-O 3.41Å; M133-R135 PolarHBondContact O-N 3.07Å; M133-R135 VanDerWaalsContact O-N 3.13Å
136	P	95	Very high	88.5	Confident	3 Å²	3	44 Å²	44	2%	0.019	25%	0.254	C	S	.	.			trans	-57.5	147.7	172.2	-21.7	32	0	0	0	112.1	Q23 V24 A27 F123 P158	Q23-P136 HydrophobicContact CB-CG 4.36Å; V24-P136 HydrophobicContact CG2-CG 3.86Å; A27-P136 HydrophobicContact CB-CB 3.83Å; F123-P136 HydrophobicContact CD1-CB 3.96Å; F123-P136 HydrophobicContact CD1-CG 3.83Å; F123-P136 HydrophobicContact CD2-CG 3.89Å; F123-P136 HydrophobicContact CE1-CB 4.15Å; F123-P136 HydrophobicContact CE1-CG 3.86Å; F123-P136 HydrophobicContact CE2-CG 3.9Å; F123-P136 HydrophobicContact CG-CB 4.35Å; F123-P136 HydrophobicContact CG-CG 3.9Å; F123-P136 HydrophobicContact CZ-CG 3.91Å; P136-P158 HydrophobicContact CB-CB 4.48Å
137	F	96.1	Very high	89.7	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.009	22%	0.216	C	C	.	.			trans	-69.1	127.9	174.7	-65.2	-96.3	0	0	0	109.5	D84 T87 L88 L119 A120 M133 V139 P158	D84-F137 HydrophobicContact CB-CB 4.33Å; D84-F137 HydrophobicContact CB-CD1 4.01Å; T87-F137 HydrophobicContact CG2-CE1 3.98Å; T87-F137 HydrophobicContact CG2-CZ 4.31Å; L88-F137 HydrophobicContact CD1-CB 4.1Å; L88-F137 HydrophobicContact CD1-CD1 4.1Å; L88-F137 HydrophobicContact CD1-CG 4.04Å; L88-F137 HydrophobicContact CD2-CD1 3.84Å; L88-F137 HydrophobicContact CD2-CD2 4Å; L88-F137 HydrophobicContact CD2-CE1 3.7Å; L88-F137 HydrophobicContact CD2-CE2 3.87Å; L88-F137 HydrophobicContact CD2-CG 4Å; L88-F137 HydrophobicContact CD2-CZ 3.73Å; L88-F137 HydrophobicContact CG-CD1 3.8Å; L88-F137 HydrophobicContact CG-CE1 4Å; L88-F137 HydrophobicContact CG-CG 4.15Å; L119-F137 HydrophobicContact CG-CE2 4.46Å; L119-F137 HydrophobicContact CG-CZ 4.28Å; A120-F137 HydrophobicContact CB-CD2 4.09Å; A120-F137 HydrophobicContact CB-CE2 4.47Å; M133-F137 HydrophobicContact CB-CZ 4.42Å; M133-F137 HydrophobicContact CE-CD1 3.83Å; M133-F137 HydrophobicContact CE-CE1 3.6Å; M133-F137 HydrophobicContact CG-CD1 4.33Å; M133-F137 HydrophobicContact CG-CE1 3.77Å; M133-F137 HydrophobicContact CG-CZ 3.87Å; M133-F137 HydrophobicContact SD-CD1 3.92Å; M133-F137 HydrophobicContact SD-CE1 3.89Å; F137-V139 HydrophobicContact CB-CG1 4.14Å; F137-V139 PolarHBondContact O-N 3.39Å; F137-P158 WeakPolarHBondContact O-CB 3.33Å; F137-P158 WeakPolarHBondContact O-CG 3.1Å
138	G	96.8	Very high	90.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	21%	0.211	C	C	.	.			trans	-84.5	43	-177.6	0	0	0	0	0	114	G80 L81 D84	G80-G138 WeakPolarHBondContact CA-O 3.46Å; L81-G138 PolarHBondContact N-O 2.83Å; D84-G138 PolarHBondContact OD2-N 3.33Å
139	V	98.1	Very high	91.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143	-172.1	66.9	0	0	0	0	111.6	M78 S79 D84 A85 L88 F137 L141 P158	M78-V139 HydrophobicContact CB-CG2 4.43Å; S79-V139 CarbonylContact O-C 3.53Å; S79-V139 WeakPolarHBondContact O-CA 3.48Å; S79-V139 VanDerWaalsContact O-CG2 3.27Å; S79-V139 WeakPolarHBondContact O-CG2 3.09Å; D84-V139 HydrophobicContact CB-CG1 4.46Å; A85-V139 HydrophobicContact CB-CB 4.45Å; A85-V139 HydrophobicContact CB-CG1 4.41Å; A85-V139 HydrophobicContact CB-CG2 3.79Å; L88-V139 HydrophobicContact CD1-CG1 3.58Å; F137-V139 HydrophobicContact CB-CG1 4.14Å; F137-V139 PolarHBondContact O-N 3.39Å; V139-L141 HydrophobicContact CG2-CD2 3.97Å; V139-P158 WeakPolarHBondContact O-CD 3.43Å
140	A	98.6	Very high	93.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145.2	162.1	0	0	0	0	0	110.2	I31 S79 M156 I170	I31-A140 HydrophobicContact CD1-CB 3.66Å; I31-A140 HydrophobicContact CG1-CB 4.25Å; I31-A140 HydrophobicContact CG2-CB 3.78Å; S79-A140 PolarHBondContact N-O 2.9Å; S79-A140 PolarHBondContact O-N 2.85Å; A140-M156 CarbonylContact C-O 3.55Å; A140-M156 WeakPolarHBondContact CA-O 3.48Å; A140-I170 HydrophobicContact CB-CB 4.11Å; A140-I170 HydrophobicContact CB-CD1 3.76Å; A140-I170 HydrophobicContact CB-CG2 4.03Å; A140-I170 VanDerWaalsContact O-CD1 3.32Å; A140-I170 WeakPolarHBondContact O-CD1 3.24Å
141	L	98.8	Very high	94.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.2	179.5	-57.8	179.2	0	0	0	110.5	A77 M78 L88 V116 V139 F143 H155 M156	A77-L141 WeakPolarHBondContact O-CA 3.38Å; M78-L141 HydrophobicContact CB-CD2 4.15Å; M78-L141 HydrophobicContact CG-CD2 3.67Å; L88-L141 HydrophobicContact CB-CD1 3.95Å; L88-L141 HydrophobicContact CD1-CD1 3.84Å; V116-L141 HydrophobicContact CG1-CD1 3.97Å; V139-L141 HydrophobicContact CG2-CD2 3.97Å; L141-F143 HydrophobicContact CB-CD2 4.14Å; L141-F143 HydrophobicContact CB-CE2 3.65Å; L141-F143 HydrophobicContact CB-CZ 4.33Å; L141-F143 HydrophobicContact CD1-CE2 3.65Å; L141-F143 HydrophobicContact CD1-CZ 3.7Å; L141-F143 HydrophobicContact CG-CE2 4.31Å; L141-H155 WeakPolarHBondContact O-CA 3.48Å; L141-M156 HydrophobicContact CB-SD 4.42Å; L141-M156 HydrophobicContact CD1-SD 3.96Å; L141-M156 HydrophobicContact CG-SD 4.26Å; L141-M156 PolarHBondContact N-O 3.2Å; L141-M156 PolarHBondContact O-N 3.19Å
142	L	98.9	Very high	95.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	105.7	166.5	-64.8	178.7	0	0	0	108.5	L48 C76 A77 L153 F154 H155 R168 I170	L48-L142 HydrophobicContact CD2-CB 4.16Å; C76-L142 CarbonylContact C-O 3.55Å; C76-L142 VanDerWaalsContact CA-O 3.29Å; C76-L142 WeakPolarHBondContact CA-O 3.45Å; A77-L142 HydrophobicContact CB-CB 4.28Å; A77-L142 PolarHBondContact N-O 3.33Å; A77-L142 PolarHBondContact O-N 2.8Å; L142-L153 HydrophobicContact CB-CD1 4.24Å; L142-F154 CarbonylContact C-O 3.59Å; L142-F154 VanDerWaalsContact CA-O 3.32Å; L142-F154 WeakPolarHBondContact CA-O 3.08Å; L142-H155 HydrophobicContact CD2-CB 4Å; L142-R168 HydrophobicContact CD2-CB 3.85Å; L142-R168 HydrophobicContact CD2-CG 3.73Å; L142-I170 HydrophobicContact CD1-CD1 4.29Å; L142-I170 HydrophobicContact CD1-CG1 4.09Å; L142-I170 HydrophobicContact CD2-CG2 4.15Å; L142-I170 HydrophobicContact CG-CD1 3.89Å; L142-I170 HydrophobicContact CG-CG1 4.17Å; L142-I170 HydrophobicContact CG-CG2 4.37Å
143	F	98.9	Very high	96.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.5	172.8	-69.9	-86.2	0	0	0	109	I70 I74 C76 A92 V109 V112 T113 V116 L141 L153 F154	I70-F143 HydrophobicContact CD1-CE1 4.45Å; I70-F143 HydrophobicContact CG1-CD1 4.39Å; I70-F143 HydrophobicContact CG1-CE1 4.19Å; I74-F143 HydrophobicContact CG2-CD1 4.33Å; C76-F143 HydrophobicContact CB-CD1 4.05Å; C76-F143 HydrophobicContact CB-CE1 4.05Å; A92-F143 HydrophobicContact CB-CE1 4.16Å; V109-F143 HydrophobicContact CG1-CB 4.06Å; V112-F143 HydrophobicContact CG1-CD1 4.39Å; V112-F143 HydrophobicContact CG1-CE1 4.15Å; T113-F143 HydrophobicContact CG2-CD2 3.98Å; T113-F143 HydrophobicContact CG2-CE2 4.37Å; V116-F143 HydrophobicContact CB-CZ 4.28Å; V116-F143 HydrophobicContact CG1-CZ 4.25Å; V116-F143 HydrophobicContact CG2-CZ 3.97Å; L141-F143 HydrophobicContact CB-CD2 4.14Å; L141-F143 HydrophobicContact CB-CE2 3.65Å; L141-F143 HydrophobicContact CB-CZ 4.33Å; L141-F143 HydrophobicContact CD1-CE2 3.65Å; L141-F143 HydrophobicContact CD1-CZ 3.7Å; L141-F143 HydrophobicContact CG-CE2 4.31Å; F143-L153 CarbonylContact O-C 3.58Å; F143-L153 VanDerWaalsContact O-CA 3.3Å; F143-L153 WeakPolarHBondContact O-CA 3.36Å; F143-F154 HydrophobicContact CB-CB 4.39Å; F143-F154 PolarHBondContact N-O 2.84Å; F143-F154 PolarHBondContact O-N 2.7Å
144	G	98.8	Very high	97	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.4	176.4	0	0	0	0	0	110.1	G75 Q152	G75-G144 PolarHBondContact N-O 2.95Å; G75-G144 PolarHBondContact O-N 3.12Å; G75-G144 VanDerWaalsContact O-O 3.13Å; G144-Q152 WeakPolarHBondContact CA-O 3.46Å
145	G	98.6	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	179.2	-178.4	0	0	0	0	0	113.3	V46 H73 P151 Q152	V46-G145 WeakPolarHBondContact CG2-O 3.46Å; H73-G145 CarbonylContact O-C 3.58Å; H73-G145 WeakPolarHBondContact O-CA 3.32Å; G145-P151 CarbonylContact O-C 3.55Å; G145-P151 WeakPolarHBondContact O-CA 3.41Å; G145-Q152 PolarHBondContact N-O 3.24Å; G145-Q152 PolarHBondContact O-N 2.68Å
146	V	98.5	Very high	97.8	Very high	20 Å²	20	18.6 Å²	18.6	12%	0.121	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.3	175.3	178.2	0	0	0	0	108.6	H73 P151 V220 P222	H73-V146 WeakPolarHBondContact CB-O 3.39Å; H73-V146 PolarHBondContact CD2-O 3.32Å; H73-V146 PolarHBondContact O-N 3.11Å; V146-P151 HydrophobicContact CG2-CB 4.16Å; V146-P151 HydrophobicContact CG2-CG 4.14Å; V146-V220 HydrophobicContact CB-CG1 4.18Å; V146-V220 HydrophobicContact CG2-CB 4.31Å; V146-V220 HydrophobicContact CG2-CG1 3.84Å; V146-P222 HydrophobicContact CG1-CB 4.21Å; V146-P222 HydrophobicContact CG1-CG 3.95Å; V146-P222 HydrophobicContact CG2-CG 4.49Å
147	D	96.8	Very high	97.9	Very high	18 Å²	18	19.9 Å²	19.9	10%	0.096	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	-163.2	175.3	63.8	27.3	0	0	0	111.1	T108 V109 K149 G150 Q152	T108-D147 WeakPolarHBondContact CA-OD2 3.41Å; T108-D147 VanDerWaalsContact CB-OD2 3.24Å; T108-D147 WeakPolarHBondContact CB-OD2 3.29Å; V109-D147 HydrophobicContact CG2-CB 4.45Å; V109-D147 PolarHBondContact N-OD2 2.83Å; D147-K149 PolarHBondContact O-N 3.24Å; D147-K149 VanDerWaalsContact O-N 3.16Å; D147-K149 WeakPolarHBondContact OD1-CA 3.31Å; D147-K149 WeakPolarHBondContact OD1-CB 3.45Å; D147-K149 PolarHBondContact OD1-N 3.47Å; D147-G150 PolarHBondContact N-O 2.85Å; D147-G150 VanDerWaalsContact N-O 3.14Å; D147-G150 WeakPolarHBondContact O-CA 3.28Å; D147-G150 PolarHBondContact O-N 3.32Å; D147-Q152 PolarHBondContact OD2-OE1 2.9Å
148	E	95.1	Very high	97.9	Very high	165 Å²	165	19.9 Å²	19.9	77%	0.771	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.2	178.6	61.5	176.1	-160.9	0	0	114.1	T108 G150	T108-E148 HydrophobicContact CG2-CG 4.48Å; E148-G150 VanDerWaalsContact C-N 3.26Å
149	K	96.1	Very high	97.8	Very high	118 Å²	118	21.4 Å²	21.4	51%	0.513	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.5	175.5	-58.6	177.9	-176.2	177.7	0	112	E110 D147	E110-K149 IonicContact OE2-NZ 3.44Å; E110-K149 PolarHBondContact OE2-NZ 3.32Å; D147-K149 PolarHBondContact O-N 3.24Å; D147-K149 VanDerWaalsContact O-N 3.16Å; D147-K149 WeakPolarHBondContact OD1-CA 3.31Å; D147-K149 WeakPolarHBondContact OD1-CB 3.45Å; D147-K149 PolarHBondContact OD1-N 3.47Å
150	G	96.9	Very high	97.5	Very high	21 Å²	21	21.9 Å²	21.9	22%	0.216	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92	-159.7	-175.5	0	0	0	0	0	112.7	D147 E148 Q152	D147-G150 PolarHBondContact N-O 2.85Å; D147-G150 VanDerWaalsContact N-O 3.14Å; D147-G150 WeakPolarHBondContact O-CA 3.28Å; D147-G150 PolarHBondContact O-N 3.32Å; E148-G150 VanDerWaalsContact C-N 3.26Å; G150-Q152 WeakPolarHBondContact O-CG 3.46Å; G150-Q152 PolarHBondContact O-N 3.01Å
151	P	98.4	Very high	97.4	Very high	19 Å²	19	25.4 Å²	25.4	12%	0.123	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	127.4	177.3	-21.3	33.6	0	0	0	112.2	Q41 T42 V46 G145 V146 P222	Q41-P151 HydrophobicContact CG-CB 4.14Å; Q41-P151 WeakPolarHBondContact CG-O 3.35Å; Q41-P151 PolarHBondContact NE2-O 3.41Å; T42-P151 WeakPolarHBondContact O-CB 3.48Å; T42-P151 WeakPolarHBondContact O-CG 3.3Å; V46-P151 HydrophobicContact CG2-CB 3.84Å; G145-P151 CarbonylContact O-C 3.55Å; G145-P151 WeakPolarHBondContact O-CA 3.41Å; V146-P151 HydrophobicContact CG2-CB 4.16Å; V146-P151 HydrophobicContact CG2-CG 4.14Å; P151-P222 HydrophobicContact CG-CG 4.22Å
152	Q	98.6	Very high	97.3	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.028	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140	-179.9	-52.5	-157.3	-54.5	0	0	111.5	V109 G144 G145 D147 G150 F154	V109-Q152 HydrophobicContact CB-CB 4.19Å; V109-Q152 HydrophobicContact CG2-CB 4.23Å; G144-Q152 WeakPolarHBondContact CA-O 3.46Å; G145-Q152 PolarHBondContact N-O 3.24Å; G145-Q152 PolarHBondContact O-N 2.68Å; D147-Q152 PolarHBondContact OD2-OE1 2.9Å; G150-Q152 WeakPolarHBondContact O-CG 3.46Å; G150-Q152 PolarHBondContact O-N 3.01Å; Q152-F154 HydrophobicContact CB-CD2 4.31Å; Q152-F154 HydrophobicContact CB-CE2 3.91Å
153	L	98.9	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128	172.5	174.8	73.6	0	0	0	109.1	G39 Q41 V46 L48 L142 F143 Q164 C165	G39-L153 VanDerWaalsContact C-CD2 3.42Å; G39-L153 WeakPolarHBondContact O-CD2 3.49Å; Q41-L153 HydrophobicContact CB-CB 3.94Å; V46-L153 HydrophobicContact CG1-CB 4.3Å; V46-L153 HydrophobicContact CG1-CD1 4.16Å; L48-L153 HydrophobicContact CD2-CD1 4.04Å; L142-L153 HydrophobicContact CB-CD1 4.24Å; F143-L153 CarbonylContact O-C 3.58Å; F143-L153 VanDerWaalsContact O-CA 3.3Å; F143-L153 WeakPolarHBondContact O-CA 3.36Å; L153-Q164 CarbonylContact O-C 3.53Å; L153-Q164 WeakPolarHBondContact O-CA 3.36Å; L153-C165 WeakPolarHBondContact CB-O 3.27Å; L153-C165 HydrophobicContact CD2-CB 4.23Å; L153-C165 HydrophobicContact CG-CB 4.47Å; L153-C165 PolarHBondContact O-N 3.48Å
154	F	98.9	Very high	97.3	Very high	3 Å²	3	36 Å²	36	1%	0.013	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.9	175.7	-74.4	-91.5	0	0	0	111	V109 E110 T113 L142 F143 Q152 F162 V163 Q164	V109-F154 HydrophobicContact CB-CD2 4.27Å; V109-F154 HydrophobicContact CB-CE2 4.31Å; V109-F154 HydrophobicContact CG1-CD2 3.83Å; V109-F154 HydrophobicContact CG1-CE2 4.36Å; E110-F154 HydrophobicContact CB-CE1 4.27Å; E110-F154 HydrophobicContact CB-CE2 3.87Å; E110-F154 HydrophobicContact CB-CZ 3.55Å; E110-F154 HydrophobicContact CG-CE1 4.07Å; E110-F154 HydrophobicContact CG-CZ 3.77Å; T113-F154 HydrophobicContact CG2-CB 3.94Å; T113-F154 HydrophobicContact CG2-CG 4.48Å; L142-F154 CarbonylContact C-O 3.59Å; L142-F154 VanDerWaalsContact CA-O 3.32Å; L142-F154 WeakPolarHBondContact CA-O 3.08Å; F143-F154 HydrophobicContact CB-CB 4.39Å; F143-F154 PolarHBondContact N-O 2.84Å; F143-F154 PolarHBondContact O-N 2.7Å; Q152-F154 HydrophobicContact CB-CD2 4.31Å; Q152-F154 HydrophobicContact CB-CE2 3.91Å; F154-F162 AromaticContact CD1-CD2 3.75Å; F154-F162 HydrophobicContact CD1-CD2 3.75Å; F154-F162 HydrophobicContact CD1-CE2 4.22Å; F154-F162 HydrophobicContact CE1-CD2 4.11Å; F154-F162 HydrophobicContact CE1-CE2 4.12Å; F154-V163 WeakPolarHBondContact CA-O 3.43Å; F154-Q164 HydrophobicContact CD1-CB 3.89Å; F154-Q164 HydrophobicContact CD1-CG 4.4Å; F154-Q164 HydrophobicContact CE1-CB 3.5Å; F154-Q164 VanDerWaalsContact CE1-CB 3.5Å; F154-Q164 HydrophobicContact CE1-CG 3.99Å; F154-Q164 HydrophobicContact CE2-CG 4.2Å; F154-Q164 HydrophobicContact CZ-CB 3.88Å; F154-Q164 HydrophobicContact CZ-CG 3.87Å
155	H	98.8	Very high	97.3	Very high	13 Å²	13	37 Å²	37	6%	0.06	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.9	169.2	168.5	-97.6	0	0	0	109.4	L141 L142 D157 F162 V163 R168 I170	L141-H155 WeakPolarHBondContact O-CA 3.48Å; L142-H155 HydrophobicContact CD2-CB 4Å; H155-D157 IonicContact CE1-OD2 2.73Å; H155-F162 CarbonylContact O-C 3.58Å; H155-F162 WeakPolarHBondContact O-CA 3.25Å; H155-F162 WeakPolarHBondContact O-CB 3.13Å; H155-V163 PolarHBondContact N-O 3.33Å; H155-V163 PolarHBondContact O-N 2.83Å; H155-R168 HydrophobicContact CB-CG 4.04Å; H155-I170 VanDerWaalsContact CD2-CG2 3.44Å; H155-I170 WeakPolarHBondContact CD2-CG2 3.23Å
156	M	98.5	Very high	97.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.9	174.2	175.5	-96.5	-173.2	0	0	109.7	L88 T113 V116 A120 A140 L141 T161 F162	L88-M156 HydrophobicContact CD1-CE 4.39Å; T113-M156 HydrophobicContact CG2-CB 4.07Å; V116-M156 HydrophobicContact CG1-CE 4Å; V116-M156 HydrophobicContact CG1-SD 4.35Å; A120-M156 HydrophobicContact CB-CE 3.22Å; A140-M156 CarbonylContact C-O 3.55Å; A140-M156 WeakPolarHBondContact CA-O 3.48Å; L141-M156 HydrophobicContact CB-SD 4.42Å; L141-M156 HydrophobicContact CD1-SD 3.96Å; L141-M156 HydrophobicContact CG-SD 4.26Å; L141-M156 PolarHBondContact N-O 3.2Å; L141-M156 PolarHBondContact O-N 3.19Å; M156-T161 WeakPolarHBondContact CA-O 3.31Å; M156-F162 HydrophobicContact CB-CB 3.89Å; M156-F162 HydrophobicContact CG-CB 4.22Å
157	D	96.9	Very high	97.3	Very high	30 Å²	30	39.7 Å²	39.7	16%	0.16	22%	0.215	C	C	.	.			trans	-129.2	173	-176	77.3	34.2	0	0	0	112.5	H155 S159 G160 T161	H155-D157 IonicContact CE1-OD2 2.73Å; D157-S159 PolarHBondContact O-N 2.54Å; D157-S159 VanDerWaalsContact OD1-CB 3.24Å; D157-S159 WeakPolarHBondContact OD1-CB 3.41Å; D157-S159 PolarHBondContact OD1-N 3.44Å; D157-S159 PolarHBondContact OD1-OG 2.9Å; D157-G160 PolarHBondContact O-N 2.89Å; D157-T161 PolarHBondContact N-O 2.65Å
158	P	95.9	Very high	97.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-17.4	-175.8	-30.6	38.4	0	0	0	115.8	A27 I28 I31 P136 F137 V139 G160	A27-P158 HydrophobicContact CB-CB 3.64Å; A27-P158 HydrophobicContact CB-CG 4.01Å; I28-P158 HydrophobicContact CG1-CB 4.37Å; I28-P158 HydrophobicContact CG1-CG 4.22Å; I31-P158 HydrophobicContact CD1-CG 3.64Å; I31-P158 HydrophobicContact CG1-CG 4.15Å; P136-P158 HydrophobicContact CB-CB 4.48Å; F137-P158 WeakPolarHBondContact O-CB 3.33Å; F137-P158 WeakPolarHBondContact O-CG 3.1Å; V139-P158 WeakPolarHBondContact O-CD 3.43Å; P158-G160 PolarHBondContact O-N 2.94Å
159	S	94.1	Very high	97.6	Very high	34 Å²	34	35.4 Å²	35.4	24%	0.238	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.6	177.3	72.7	0	0	0	0	113.1	L121 D157 T161	L121-S159 VanDerWaalsContact CD2-O 3.27Å; L121-S159 WeakPolarHBondContact CD2-O 3.18Å; D157-S159 PolarHBondContact O-N 2.54Å; D157-S159 VanDerWaalsContact OD1-CB 3.24Å; D157-S159 WeakPolarHBondContact OD1-CB 3.41Å; D157-S159 PolarHBondContact OD1-N 3.44Å; D157-S159 PolarHBondContact OD1-OG 2.9Å; S159-T161 PolarHBondContact O-N 3.18Å; S159-T161 VanDerWaalsContact OG-CB 3.23Å; S159-T161 WeakPolarHBondContact OG-CB 3.15Å; S159-T161 PolarHBondContact OG-N 3.48Å; S159-T161 PolarHBondContact OG-OG1 2.61Å
160	G	92.8	Very high	97.7	Very high	11 Å²	11	30 Å²	30	11%	0.113	17%	0.168	C	C	.	.	S	Bend	trans	72.3	14.7	-169.2	0	0	0	0	0	112.6	S117 D157 P158	S117-G160 PolarHBondContact OG-O 3.5Å; D157-G160 PolarHBondContact O-N 2.89Å; P158-G160 PolarHBondContact O-N 2.94Å
161	T	96.1	Very high	97.8	Very high	73 Å²	73	29.1 Å²	29.1	45%	0.448	16%	0.158	S	C	.	.			trans	-85.1	135.3	167.8	-55.7	0	0	0	0	108.7	M156 D157 S159 V163	M156-T161 WeakPolarHBondContact CA-O 3.31Å; D157-T161 PolarHBondContact N-O 2.65Å; S159-T161 PolarHBondContact O-N 3.18Å; S159-T161 VanDerWaalsContact OG-CB 3.23Å; S159-T161 WeakPolarHBondContact OG-CB 3.15Å; S159-T161 PolarHBondContact OG-N 3.48Å; S159-T161 PolarHBondContact OG-OG1 2.61Å; T161-V163 HydrophobicContact CG2-CG2 4.22Å
162	F	98	Very high	97.7	Very high	44 Å²	44	30.5 Å²	30.5	19%	0.193	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.4	167.8	72	-81.5	0	0	0	111.4	E110 T113 Q114 F154 H155 M156	E110-F162 HydrophobicContact CG-CE2 4.25Å; T113-F162 HydrophobicContact CG2-CB 3.54Å; T113-F162 HydrophobicContact CG2-CD2 3.72Å; T113-F162 HydrophobicContact CG2-CG 3.67Å; Q114-F162 HydrophobicContact CB-CE1 4.17Å; Q114-F162 HydrophobicContact CB-CZ 4.06Å; Q114-F162 VanDerWaalsContact CD-CE1 3.48Å; Q114-F162 HydrophobicContact CG-CE1 4.44Å; F154-F162 AromaticContact CD1-CD2 3.75Å; F154-F162 HydrophobicContact CD1-CD2 3.75Å; F154-F162 HydrophobicContact CD1-CE2 4.22Å; F154-F162 HydrophobicContact CE1-CD2 4.11Å; F154-F162 HydrophobicContact CE1-CE2 4.12Å; H155-F162 CarbonylContact O-C 3.58Å; H155-F162 WeakPolarHBondContact O-CA 3.25Å; H155-F162 WeakPolarHBondContact O-CB 3.13Å; M156-F162 HydrophobicContact CB-CB 3.89Å; M156-F162 HydrophobicContact CG-CB 4.22Å
163	V	98.4	Very high	97.6	Very high	74 Å²	74	31.5 Å²	31.5	45%	0.448	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	131.8	-174.1	-177.4	0	0	0	0	109.8	F154 H155 T161 C165	F154-V163 WeakPolarHBondContact CA-O 3.43Å; H155-V163 PolarHBondContact N-O 3.33Å; H155-V163 PolarHBondContact O-N 2.83Å; T161-V163 HydrophobicContact CG2-CG2 4.22Å; V163-C165 PolarHBondContact O-SG 2.86Å
164	Q	98.7	Very high	97.5	Very high	106 Å²	106	32.6 Å²	32.6	50%	0.495	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.1	170.2	-165	-180	-4.8	0	0	110	L153 F154	L153-Q164 CarbonylContact O-C 3.53Å; L153-Q164 WeakPolarHBondContact O-CA 3.36Å; F154-Q164 HydrophobicContact CD1-CB 3.89Å; F154-Q164 HydrophobicContact CD1-CG 4.4Å; F154-Q164 HydrophobicContact CE1-CB 3.5Å; F154-Q164 VanDerWaalsContact CE1-CB 3.5Å; F154-Q164 HydrophobicContact CE1-CG 3.99Å; F154-Q164 HydrophobicContact CE2-CG 4.2Å; F154-Q164 HydrophobicContact CZ-CB 3.88Å; F154-Q164 HydrophobicContact CZ-CG 3.87Å
165	C	98.5	Very high	97.5	Very high	19 Å²	19	39.5 Å²	39.5	13%	0.128	22%	0.218	C	C	.	.			trans	-128	148.9	-174.4	-66.1	0	0	0	0	111.1	L153 V163 R168	L153-C165 WeakPolarHBondContact CB-O 3.27Å; L153-C165 HydrophobicContact CD2-CB 4.23Å; L153-C165 HydrophobicContact CG-CB 4.47Å; L153-C165 PolarHBondContact O-N 3.48Å; V163-C165 PolarHBondContact O-SG 2.86Å; C165-R168 HydrophobicContact CB-CB 4.12Å
166	D	98.6	Very high	97.4	Very high	64 Å²	64	40.7 Å²	40.7	34%	0.342	23%	0.233	S	C	.	.	S	Bend	trans	-80	-43.4	168.9	-76.6	-17.8	0	0	0	111.3	Q41 Y185 K187	Q41-D166 WeakPolarHBondContact CB-O 2.98Å; Q41-D166 PolarHBondContact N-O 3.48Å; D166-Y185 HydrophobicContact CB-CD1 4.48Å; D166-Y185 HydrophobicContact CB-CE1 3.71Å; D166-Y185 HydrophobicContact CB-CE2 4.14Å; D166-Y185 WeakPolarHBondContact CB-OH 3.36Å; D166-K187 IonicContact OD1-NZ 2.62Å; D166-K187 PolarHBondContact OD1-NZ 3.46Å; D166-K187 WeakPolarHBondContact OD2-CE 3.48Å; D166-K187 IonicContact OD2-NZ 2.8Å; D166-K187 PolarHBondContact OD2-NZ 3.24Å
167	A	98.8	Very high	97.4	Very high	14 Å²	14	40.6 Å²	40.6	12%	0.116	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	144.9	170.7	0	0	0	0	0	109	G39 I40 L181 Y185	G39-A167 CarbonylContact O-C 3.47Å; G39-A167 WeakPolarHBondContact O-CA 3.05Å; I40-A167 HydrophobicContact CG1-CB 4.19Å; I40-A167 HydrophobicContact CG2-CB 4.38Å; A167-L181 HydrophobicContact CB-CD1 4.38Å; A167-L181 HydrophobicContact CB-CD2 4.21Å; A167-Y185 HydrophobicContact CB-CD2 4.04Å; A167-Y185 HydrophobicContact CB-CG 4.46Å
168	R	98.8	Very high	97.5	Very high	89 Å²	89	40.9 Å²	40.9	34%	0.336	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	138	-177.6	-173.6	69	170	178.5	-1.4	111.2	I38 G39 L142 H155 C165 I170	I38-R168 WeakPolarHBondContact CA-O 3.25Å; G39-R168 PolarHBondContact N-O 3.43Å; G39-R168 PolarHBondContact O-N 2.94Å; L142-R168 HydrophobicContact CD2-CB 3.85Å; L142-R168 HydrophobicContact CD2-CG 3.73Å; H155-R168 HydrophobicContact CB-CG 4.04Å; C165-R168 HydrophobicContact CB-CB 4.12Å; R168-I170 HydrophobicContact CG-CG2 4.28Å
169	A	98.8	Very high	97.7	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.033	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.3	165.7	0	0	0	0	0	111.3	A37 I38 A177 Q178 L181	A37-A169 CarbonylContact O-C 3.58Å; A37-A169 VanDerWaalsContact O-CA 3.29Å; A37-A169 WeakPolarHBondContact O-CA 3.47Å; I38-A169 HydrophobicContact CG1-CB 4.21Å; A169-A177 HydrophobicContact CB-CB 3.61Å; A169-Q178 HydrophobicContact CB-CB 4.37Å; A169-Q178 VanDerWaalsContact N-OE1 3.08Å; A169-L181 HydrophobicContact CB-CD1 3.95Å
170	I	98.6	Very high	97.9	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	161.1	174	63	168.9	0	0	0	110.7	T36 A37 A140 L142 H155 R168	T36-I170 CarbonylContact C-O 3.57Å; T36-I170 WeakPolarHBondContact CA-O 3.43Å; A37-I170 HydrophobicContact CB-CD1 4.21Å; A37-I170 HydrophobicContact CB-CG1 3.73Å; A37-I170 PolarHBondContact N-O 3.34Å; A37-I170 PolarHBondContact O-N 3.35Å; A140-I170 HydrophobicContact CB-CB 4.11Å; A140-I170 HydrophobicContact CB-CD1 3.76Å; A140-I170 HydrophobicContact CB-CG2 4.03Å; A140-I170 VanDerWaalsContact O-CD1 3.32Å; A140-I170 WeakPolarHBondContact O-CD1 3.24Å; L142-I170 HydrophobicContact CD1-CD1 4.29Å; L142-I170 HydrophobicContact CD1-CG1 4.09Å; L142-I170 HydrophobicContact CD2-CG2 4.15Å; L142-I170 HydrophobicContact CG-CD1 3.89Å; L142-I170 HydrophobicContact CG-CG1 4.17Å; L142-I170 HydrophobicContact CG-CG2 4.37Å; H155-I170 VanDerWaalsContact CD2-CG2 3.44Å; H155-I170 WeakPolarHBondContact CD2-CG2 3.23Å; R168-I170 HydrophobicContact CG-CG2 4.28Å
171	G	98	Very high	98.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.01	25%	0.246	C	C	.	.	S	Bend	trans	97.8	-166.3	-179	0	0	0	0	0	114.4	S79 A173 S174	S79-G171 WeakPolarHBondContact OG-CA 3.32Å; G171-A173 PolarHBondContact O-N 3.08Å; G171-S174 VanDerWaalsContact O-CB 3.23Å; G171-S174 WeakPolarHBondContact O-CB 3.2Å; G171-S174 PolarHBondContact O-N 3.3Å; G171-S174 PolarHBondContact O-OG 2.99Å
172	S	96.6	Very high	98.3	Very high	49 Å²	49	46.2 Å²	46.2	34%	0.343	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-41.8	-168.9	57.4	0	0	0	0	114.9	K32 G34	K32-S172 WeakPolarHBondContact O-CA 3.45Å; K32-S172 WeakPolarHBondContact O-CB 3.43Å; G34-S172 WeakPolarHBondContact O-CB 3.49Å; G34-S172 PolarHBondContact O-N 2.83Å; G34-S172 PolarHBondContact O-OG 2.97Å
173	A	96.9	Very high	98.3	Very high	26 Å²	26	51.9 Å²	51.9	22%	0.215	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	24.6	-179.5	0	0	0	0	0	112.9	T36 G171 E175 G176 A177 V205	T36-A173 WeakPolarHBondContact OG1-CB 3.45Å; T36-A173 PolarHBondContact OG1-N 3.02Å; G171-A173 PolarHBondContact O-N 3.08Å; A173-E175 VanDerWaalsContact C-N 3.34Å; A173-E175 PolarHBondContact O-N 3.39Å; A173-G176 PolarHBondContact O-N 2.98Å; A173-A177 WeakPolarHBondContact O-CB 3.34Å; A173-A177 PolarHBondContact O-N 3.45Å; A173-V205 HydrophobicContact CB-CB 3.67Å; A173-V205 HydrophobicContact CB-CG1 4.39Å; A173-V205 HydrophobicContact CB-CG2 3.98Å
174	S	97.7	Very high	98.2	Very high	24 Å²	24	51.1 Å²	51.1	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-37.7	-176.4	51.7	0	0	0	0	113.9	G171 A177 Q178	G171-S174 VanDerWaalsContact O-CB 3.23Å; G171-S174 WeakPolarHBondContact O-CB 3.2Å; G171-S174 PolarHBondContact O-N 3.3Å; G171-S174 PolarHBondContact O-OG 2.99Å; S174-A177 PolarHBondContact O-N 2.86Å; S174-Q178 WeakPolarHBondContact O-CA 3.49Å; S174-Q178 WeakPolarHBondContact O-CB 3.42Å; S174-Q178 PolarHBondContact O-N 3.38Å
175	E	97.5	Very high	98.2	Very high	147 Å²	147	48.5 Å²	48.5	69%	0.687	26%	0.264	S	S	*	.	H	α-helix	trans	-63.7	-45.9	-179.7	-65.9	-179.6	-177.5	0	0	112.2	A173 S179	A173-E175 VanDerWaalsContact C-N 3.34Å; A173-E175 PolarHBondContact O-N 3.39Å; E175-S179 PolarHBondContact O-N 3.47Å; E175-S179 VanDerWaalsContact O-N 3.11Å; E175-S179 PolarHBondContact O-OG 2.92Å
176	G	98.2	Very high	98.2	Very high	38 Å²	38	51.2 Å²	51.2	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-47.2	175.4	0	0	0	0	0	111.5	A173 Q178 S179 S180	A173-G176 PolarHBondContact O-N 2.98Å; G176-Q178 VanDerWaalsContact C-N 3.32Å; G176-Q178 PolarHBondContact O-N 3.39Å; G176-S179 PolarHBondContact O-N 2.89Å; G176-S180 PolarHBondContact O-N 2.91Å; G176-S180 VanDerWaalsContact O-N 3.08Å; G176-S180 PolarHBondContact O-OG 2.8Å
177	A	98.6	Very high	98.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-39	177.8	0	0	0	0	0	112.5	T36 I38 A169 A173 S174 S179 S180 L181 I201 V205	T36-A177 HydrophobicContact CG2-CB 4.18Å; I38-A177 HydrophobicContact CD1-CB 4.22Å; A169-A177 HydrophobicContact CB-CB 3.61Å; A173-A177 WeakPolarHBondContact O-CB 3.34Å; A173-A177 PolarHBondContact O-N 3.45Å; S174-A177 PolarHBondContact O-N 2.86Å; A177-S179 VanDerWaalsContact C-N 3.33Å; A177-S179 PolarHBondContact O-N 3.23Å; A177-S180 PolarHBondContact O-N 3.43Å; A177-L181 WeakPolarHBondContact O-CB 3.36Å; A177-L181 VanDerWaalsContact O-CG 3.3Å; A177-L181 WeakPolarHBondContact O-CG 3.36Å; A177-L181 PolarHBondContact O-N 2.62Å; A177-I201 HydrophobicContact CB-CG2 3.68Å; A177-V205 HydrophobicContact CB-CG1 4.25Å; A177-V205 HydrophobicContact CB-CG2 4.48Å
178	Q	98.7	Very high	98	Very high	36 Å²	36	58.1 Å²	58.1	17%	0.168	31%	0.311	C	S	.	.	H	α-helix	trans	-66.2	-36.7	178	-174	63.3	61.9	0	0	111.8	A169 S174 G176 L181 Q182	A169-Q178 HydrophobicContact CB-CB 4.37Å; A169-Q178 VanDerWaalsContact N-OE1 3.08Å; S174-Q178 WeakPolarHBondContact O-CA 3.49Å; S174-Q178 WeakPolarHBondContact O-CB 3.42Å; S174-Q178 PolarHBondContact O-N 3.38Å; G176-Q178 VanDerWaalsContact C-N 3.32Å; G176-Q178 PolarHBondContact O-N 3.39Å; Q178-L181 PolarHBondContact O-N 2.66Å; Q178-Q182 WeakPolarHBondContact O-CG 3.42Å; Q178-Q182 PolarHBondContact O-N 3.27Å
179	S	98.7	Very high	98	Very high	62 Å²	62	54.2 Å²	54.2	43%	0.434	30%	0.297	S	S	.	.	H	α-helix	trans	-65.2	-48.7	175	-56.1	0	0	0	0	110.5	E175 G176 A177 L181 Q182 E183	E175-S179 PolarHBondContact O-N 3.47Å; E175-S179 VanDerWaalsContact O-N 3.11Å; E175-S179 PolarHBondContact O-OG 2.92Å; G176-S179 PolarHBondContact O-N 2.89Å; A177-S179 VanDerWaalsContact C-N 3.33Å; A177-S179 PolarHBondContact O-N 3.23Å; S179-L181 VanDerWaalsContact C-N 3.3Å; S179-L181 PolarHBondContact O-N 3.21Å; S179-Q182 WeakPolarHBondContact O-CB 3.46Å; S179-Q182 PolarHBondContact O-N 2.92Å; S179-Q182 VanDerWaalsContact O-N 3.14Å; S179-E183 PolarHBondContact O-N 3.31Å
180	S	98.6	Very high	97.9	Very high	23 Å²	23	56.1 Å²	56.1	16%	0.161	31%	0.308	C	S	.	.	H	α-helix	trans	-60.9	-38.2	174.8	-56.8	0	0	0	0	112.4	G176 A177 Q182 E183 V184 Q204	G176-S180 PolarHBondContact O-N 2.91Å; G176-S180 VanDerWaalsContact O-N 3.08Å; G176-S180 PolarHBondContact O-OG 2.8Å; A177-S180 PolarHBondContact O-N 3.43Å; S180-Q182 VanDerWaalsContact C-N 3.33Å; S180-Q182 PolarHBondContact O-N 3.38Å; S180-E183 PolarHBondContact O-N 3.18Å; S180-V184 WeakPolarHBondContact O-CG2 3.48Å; S180-V184 PolarHBondContact O-N 3.19Å; S180-Q204 PolarHBondContact OG-OE1 2.93Å
181	L	98.4	Very high	97.9	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-41	175.3	-80	171.7	0	0	0	111.9	I38 I40 A167 A169 A177 Q178 S179 E183 V184 Y185 I201	I38-L181 HydrophobicContact CG2-CD1 4Å; I38-L181 HydrophobicContact CG2-CD2 3.95Å; I38-L181 HydrophobicContact CG2-CG 4.46Å; I40-L181 HydrophobicContact CD1-CD2 3.69Å; I40-L181 HydrophobicContact CG1-CD2 3.9Å; A167-L181 HydrophobicContact CB-CD1 4.38Å; A167-L181 HydrophobicContact CB-CD2 4.21Å; A169-L181 HydrophobicContact CB-CD1 3.95Å; A177-L181 WeakPolarHBondContact O-CB 3.36Å; A177-L181 VanDerWaalsContact O-CG 3.3Å; A177-L181 WeakPolarHBondContact O-CG 3.36Å; A177-L181 PolarHBondContact O-N 2.62Å; Q178-L181 PolarHBondContact O-N 2.66Å; S179-L181 VanDerWaalsContact C-N 3.3Å; S179-L181 PolarHBondContact O-N 3.21Å; L181-E183 VanDerWaalsContact C-N 3.26Å; L181-E183 PolarHBondContact O-N 3.39Å; L181-V184 PolarHBondContact O-N 2.91Å; L181-Y185 WeakPolarHBondContact O-CB 3.34Å; L181-Y185 PolarHBondContact O-N 3.49Å; L181-I201 HydrophobicContact CB-CD1 4.4Å; L181-I201 HydrophobicContact CD2-CD1 3.56Å; L181-I201 HydrophobicContact CG-CD1 3.76Å
182	Q	98.4	Very high	97.9	Very high	142 Å²	142	63.8 Å²	63.8	66%	0.664	34%	0.341	S	S	*	.	H	α-helix	trans	-64.7	-30.9	178.4	-74.7	172.3	-8.2	0	0	112.8	Q178 S179 S180	Q178-Q182 WeakPolarHBondContact O-CG 3.42Å; Q178-Q182 PolarHBondContact O-N 3.27Å; S179-Q182 WeakPolarHBondContact O-CB 3.46Å; S179-Q182 PolarHBondContact O-N 2.92Å; S179-Q182 VanDerWaalsContact O-N 3.14Å; S180-Q182 VanDerWaalsContact C-N 3.33Å; S180-Q182 PolarHBondContact O-N 3.38Å
183	E	98	Very high	98	Very high	163 Å²	163	65.6 Å²	65.6	76%	0.762	34%	0.344	S	S	*	.	H	α-helix	trans	-76	-37.1	179	-66.9	178.7	-179.8	0	0	112.7	S179 S180 L181	S179-E183 PolarHBondContact O-N 3.31Å; S180-E183 PolarHBondContact O-N 3.18Å; L181-E183 VanDerWaalsContact C-N 3.26Å; L181-E183 PolarHBondContact O-N 3.39Å
184	V	97.6	Very high	98	Very high	58 Å²	58	64.4 Å²	64.4	35%	0.352	33%	0.334	S	S	.	.	H	α-helix	trans	-96.6	-24.4	-173.3	-54.7	0	0	0	0	113.8	S180 L181 H186 M189 I201	S180-V184 WeakPolarHBondContact O-CG2 3.48Å; S180-V184 PolarHBondContact O-N 3.19Å; L181-V184 PolarHBondContact O-N 2.91Å; V184-H186 PolarHBondContact O-CD2 3.29Å; V184-M189 WeakPolarHBondContact O-CE 3.25Å; V184-I201 HydrophobicContact CG2-CD1 3.97Å
185	Y	98.4	Very high	98.1	Very high	51 Å²	51	64.1 Å²	64.1	20%	0.2	33%	0.33	C	S	.	.			trans	-70	135.3	-175.1	177.7	-94.4	0	0	0	112	I40 D166 A167 L181 K187	I40-Y185 HydrophobicContact CG2-CD2 4.14Å; I40-Y185 HydrophobicContact CG2-CE2 4.27Å; D166-Y185 HydrophobicContact CB-CD1 4.48Å; D166-Y185 HydrophobicContact CB-CE1 3.71Å; D166-Y185 HydrophobicContact CB-CE2 4.14Å; D166-Y185 WeakPolarHBondContact CB-OH 3.36Å; A167-Y185 HydrophobicContact CB-CD2 4.04Å; A167-Y185 HydrophobicContact CB-CG 4.46Å; L181-Y185 WeakPolarHBondContact O-CB 3.34Å; L181-Y185 PolarHBondContact O-N 3.49Å; Y185-K187 HydrophobicContact CE1-CD 4.39Å; Y185-K187 HydrophobicContact CE1-CG 4.48Å
186	H	98.1	Very high	98.1	Very high	76 Å²	76	61.5 Å²	61.5	35%	0.352	32%	0.317	S	S	.	.			trans	-146.7	152.5	165.4	59.7	92.8	0	0	0	110.4	V184 S188 M189	V184-H186 PolarHBondContact O-CD2 3.29Å; H186-S188 PolarHBondContact CE1-OG 2.95Å; H186-S188 PolarHBondContact ND1-OG 3.11Å; H186-S188 PolarHBondContact O-N 3.36Å; H186-M189 VanDerWaalsContact CE1-CA 3.41Å; H186-M189 WeakPolarHBondContact CE1-CA 3.5Å; H186-M189 PolarHBondContact CE1-N 3.06Å; H186-M189 VanDerWaalsContact CE1-N 3.27Å; H186-M189 PolarHBondContact ND1-N 3.45Å; H186-M189 WeakPolarHBondContact O-CB 3.3Å; H186-M189 PolarHBondContact O-N 3.19Å
187	K	96.7	Very high	98.1	Very high	132 Å²	132	60.7 Å²	60.7	57%	0.574	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.8	-174.1	-72.1	-76.8	174.7	179.5	0	115.1	D166 Y185	D166-K187 IonicContact OD1-NZ 2.62Å; D166-K187 PolarHBondContact OD1-NZ 3.46Å; D166-K187 WeakPolarHBondContact OD2-CE 3.48Å; D166-K187 IonicContact OD2-NZ 2.8Å; D166-K187 PolarHBondContact OD2-NZ 3.24Å; Y185-K187 HydrophobicContact CE1-CD 4.39Å; Y185-K187 HydrophobicContact CE1-CG 4.48Å
188	S	97.2	Very high	98.1	Very high	92 Å²	92	60.7 Å²	60.7	64%	0.643	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	11.6	179.3	67.4	0	0	0	0	113.6	H186	H186-S188 PolarHBondContact CE1-OG 2.95Å; H186-S188 PolarHBondContact ND1-OG 3.11Å; H186-S188 PolarHBondContact O-N 3.36Å
189	M	97.4	Very high	98.1	Very high	6 Å²	6	59 Å²	59	3%	0.03	30%	0.297	C	S	.	.			trans	-65.8	131.9	178	-176.9	176	-84.8	0	0	109.6	T42 V184 H186 E193 A194	T42-M189 VanDerWaalsContact CB-O 3.24Å; T42-M189 WeakPolarHBondContact CB-O 3.49Å; T42-M189 WeakPolarHBondContact CG2-O 3.29Å; V184-M189 WeakPolarHBondContact O-CE 3.25Å; H186-M189 VanDerWaalsContact CE1-CA 3.41Å; H186-M189 WeakPolarHBondContact CE1-CA 3.5Å; H186-M189 PolarHBondContact CE1-N 3.06Å; H186-M189 VanDerWaalsContact CE1-N 3.27Å; H186-M189 PolarHBondContact ND1-N 3.45Å; H186-M189 WeakPolarHBondContact O-CB 3.3Å; H186-M189 PolarHBondContact O-N 3.19Å; M189-E193 HydrophobicContact CG-CB 3.51Å; M189-E193 HydrophobicContact SD-CB 4.32Å; M189-A194 HydrophobicContact CG-CB 4.34Å; M189-A194 VanDerWaalsContact SD-CA 3.58Å; M189-A194 HydrophobicContact SD-CB 3.93Å
190	T	98.4	Very high	98.1	Very high	44 Å²	44	58.6 Å²	58.6	27%	0.27	29%	0.29	S	S	.	.			trans	-73.3	159.8	172.5	60.1	0	0	0	0	110.6	E44 K192 E193 A194	E44-T190 WeakPolarHBondContact OE2-CA 3.47Å; E44-T190 WeakPolarHBondContact OE2-CB 3.36Å; T190-K192 PolarHBondContact O-N 3.1Å; T190-E193 PolarHBondContact N-OE2 3.08Å; T190-E193 PolarHBondContact O-N 3.13Å; T190-E193 WeakPolarHBondContact OG1-CB 3.44Å; T190-E193 VanDerWaalsContact OG1-CD 3.25Å; T190-E193 WeakPolarHBondContact OG1-CG 3.5Å; T190-E193 PolarHBondContact OG1-N 3.06Å; T190-E193 PolarHBondContact OG1-OE2 2.91Å; T190-A194 PolarHBondContact O-N 3.01Å
191	L	98.1	Very high	98.1	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-35.9	175	-177	64.1	0	0	0	111.5	E44 C47 A194 I195 T219 Q221	E44-L191 HydrophobicContact CB-CB 3.89Å; E44-L191 PolarHBondContact OE2-N 3.36Å; C47-L191 HydrophobicContact CB-CD1 3.9Å; L191-A194 WeakPolarHBondContact O-CB 3.46Å; L191-A194 PolarHBondContact O-N 3.17Å; L191-I195 HydrophobicContact CG-CD1 4.14Å; L191-I195 VanDerWaalsContact O-CG1 3.3Å; L191-I195 WeakPolarHBondContact O-CG1 3.34Å; L191-I195 PolarHBondContact O-N 3.38Å; L191-T219 HydrophobicContact CD1-CG2 4.2Å; L191-T219 HydrophobicContact CD2-CG2 4.09Å; L191-T219 HydrophobicContact CG-CG2 4.37Å; L191-Q221 HydrophobicContact CD2-CG 3.31Å
192	K	97.4	Very high	98.1	Very high	161 Å²	161	57.5 Å²	57.5	70%	0.7	28%	0.282	S	S	*	.	H	α-helix	trans	-61.9	-43.5	175.5	-174.1	177.4	-179.6	176.6	0	112.1	T190 A194 K196	T190-K192 PolarHBondContact O-N 3.1Å; K192-A194 VanDerWaalsContact C-N 3.35Å; K192-K196 WeakPolarHBondContact O-CB 3.37Å; K192-K196 PolarHBondContact O-N 3.01Å
193	E	98.1	Very high	98.1	Very high	87 Å²	87	55.4 Å²	55.4	41%	0.407	27%	0.271	S	S	.	.	H	α-helix	trans	-66.7	-36.9	175.1	-73.4	163.9	148.7	0	0	111.9	M189 T190 K196 S197	M189-E193 HydrophobicContact CG-CB 3.51Å; M189-E193 HydrophobicContact SD-CB 4.32Å; T190-E193 PolarHBondContact N-OE2 3.08Å; T190-E193 PolarHBondContact O-N 3.13Å; T190-E193 WeakPolarHBondContact OG1-CB 3.44Å; T190-E193 VanDerWaalsContact OG1-CD 3.25Å; T190-E193 WeakPolarHBondContact OG1-CG 3.5Å; T190-E193 PolarHBondContact OG1-N 3.06Å; T190-E193 PolarHBondContact OG1-OE2 2.91Å; E193-K196 PolarHBondContact O-N 2.83Å; E193-S197 VanDerWaalsContact O-CB 3.27Å; E193-S197 WeakPolarHBondContact O-CB 3.11Å; E193-S197 PolarHBondContact O-N 3.47Å; E193-S197 PolarHBondContact O-OG 3.04Å
194	A	98.7	Very high	98	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-48.1	175.2	0	0	0	0	0	111.7	I40 T42 C47 M189 T190 L191 K192 K196 S197 S198	I40-A194 HydrophobicContact CB-CB 4.09Å; I40-A194 HydrophobicContact CD1-CB 4.32Å; I40-A194 HydrophobicContact CG2-CB 3.73Å; T42-A194 HydrophobicContact CG2-CB 3.6Å; C47-A194 HydrophobicContact CB-CB 4.43Å; M189-A194 HydrophobicContact CG-CB 4.34Å; M189-A194 VanDerWaalsContact SD-CA 3.58Å; M189-A194 HydrophobicContact SD-CB 3.93Å; T190-A194 PolarHBondContact O-N 3.01Å; L191-A194 WeakPolarHBondContact O-CB 3.46Å; L191-A194 PolarHBondContact O-N 3.17Å; K192-A194 VanDerWaalsContact C-N 3.35Å; A194-K196 VanDerWaalsContact C-N 3.33Å; A194-K196 PolarHBondContact O-N 2.99Å; A194-S197 PolarHBondContact O-N 3.33Å; A194-S198 WeakPolarHBondContact O-CB 3.11Å; A194-S198 PolarHBondContact O-N 3.5Å; A194-S198 PolarHBondContact O-OG 2.99Å
195	I	98.7	Very high	98	Very high	18 Å²	18	52.4 Å²	52.4	9%	0.092	26%	0.255	C	S	.	.	H	α-helix	trans	-55.9	-49	174	-69.8	163.7	0	0	0	110.6	C47 L191 S197 S198 L199 L217 T219 F229 V237	C47-I195 HydrophobicContact CB-CG1 4.27Å; L191-I195 HydrophobicContact CG-CD1 4.14Å; L191-I195 VanDerWaalsContact O-CG1 3.3Å; L191-I195 WeakPolarHBondContact O-CG1 3.34Å; L191-I195 PolarHBondContact O-N 3.38Å; I195-S197 VanDerWaalsContact C-N 3.35Å; I195-S197 PolarHBondContact O-N 2.94Å; I195-S198 PolarHBondContact O-N 3.14Å; I195-S198 PolarHBondContact O-OG 3.43Å; I195-L199 HydrophobicContact CG2-CD1 4.31Å; I195-L199 WeakPolarHBondContact O-CG 3.47Å; I195-L199 PolarHBondContact O-N 2.84Å; I195-L199 VanDerWaalsContact O-N 3.16Å; I195-L217 HydrophobicContact CG1-CD2 4.44Å; I195-L217 HydrophobicContact CG2-CD1 4.43Å; I195-L217 HydrophobicContact CG2-CD2 3.6Å; I195-T219 HydrophobicContact CD1-CG2 3.92Å; I195-T219 HydrophobicContact CG1-CG2 4.19Å; I195-F229 HydrophobicContact CD1-CZ 4.03Å; I195-V237 HydrophobicContact CG2-CG1 3.61Å
196	K	98.3	Very high	97.8	Very high	93 Å²	93	50.8 Å²	50.8	40%	0.404	25%	0.25	S	C	.	.	H	α-helix	trans	-60.9	-46.6	-179.9	-173.6	171.8	-176.4	159.6	0	111.3	K192 E193 A194 L199 I200 D240 I241	K192-K196 WeakPolarHBondContact O-CB 3.37Å; K192-K196 PolarHBondContact O-N 3.01Å; E193-K196 PolarHBondContact O-N 2.83Å; A194-K196 VanDerWaalsContact C-N 3.33Å; A194-K196 PolarHBondContact O-N 2.99Å; K196-L199 PolarHBondContact O-N 3.24Å; K196-I200 HydrophobicContact CG-CD1 3.89Å; K196-I200 VanDerWaalsContact O-CG1 3.32Å; K196-I200 WeakPolarHBondContact O-CG1 3.46Å; K196-I200 PolarHBondContact O-N 3.44Å; K196-D240 VanDerWaalsContact CE-O 3.24Å; K196-D240 WeakPolarHBondContact CE-O 3.46Å; K196-D240 PolarHBondContact NZ-O 3.27Å; K196-I241 HydrophobicContact CG-CG2 3.82Å
197	S	98.6	Very high	97.6	Very high	20 Å²	20	55.1 Å²	55.1	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-43.7	-178.9	-58.6	0	0	0	0	111.6	E193 A194 I195 L199 I200 I201	E193-S197 VanDerWaalsContact O-CB 3.27Å; E193-S197 WeakPolarHBondContact O-CB 3.11Å; E193-S197 PolarHBondContact O-N 3.47Å; E193-S197 PolarHBondContact O-OG 3.04Å; A194-S197 PolarHBondContact O-N 3.33Å; I195-S197 VanDerWaalsContact C-N 3.35Å; I195-S197 PolarHBondContact O-N 2.94Å; S197-L199 VanDerWaalsContact C-N 3.31Å; S197-L199 PolarHBondContact O-N 3.1Å; S197-I200 PolarHBondContact O-N 3.43Å; S197-I201 VanDerWaalsContact O-CG1 3.23Å; S197-I201 WeakPolarHBondContact O-CG1 3.45Å; S197-I201 PolarHBondContact O-N 2.87Å
198	S	98.6	Very high	97.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-40	178.2	59.7	0	0	0	0	112	A194 I195 I201 L202	A194-S198 WeakPolarHBondContact O-CB 3.11Å; A194-S198 PolarHBondContact O-N 3.5Å; A194-S198 PolarHBondContact O-OG 2.99Å; I195-S198 PolarHBondContact O-N 3.14Å; I195-S198 PolarHBondContact O-OG 3.43Å; S198-I201 PolarHBondContact O-N 3.29Å; S198-L202 WeakPolarHBondContact O-CB 3.48Å; S198-L202 WeakPolarHBondContact O-CG 3.46Å; S198-L202 PolarHBondContact O-N 3.31Å
199	L	98.6	Very high	97.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-72.6	-37.3	177.8	-62.6	179.7	0	0	0	113.1	A49 I195 K196 S197 I201 L202 K203 L210 I215 V237 I241	A49-L199 HydrophobicContact CB-CD2 4.48Å; I195-L199 HydrophobicContact CG2-CD1 4.31Å; I195-L199 WeakPolarHBondContact O-CG 3.47Å; I195-L199 PolarHBondContact O-N 2.84Å; I195-L199 VanDerWaalsContact O-N 3.16Å; K196-L199 PolarHBondContact O-N 3.24Å; S197-L199 VanDerWaalsContact C-N 3.31Å; S197-L199 PolarHBondContact O-N 3.1Å; L199-I201 VanDerWaalsContact C-N 3.31Å; L199-I201 PolarHBondContact O-N 3.23Å; L199-L202 HydrophobicContact CD2-CD1 4.5Å; L199-L202 PolarHBondContact O-N 3.21Å; L199-K203 VanDerWaalsContact O-CB 3.27Å; L199-K203 WeakPolarHBondContact O-CB 3.27Å; L199-K203 PolarHBondContact O-N 3.25Å; L199-L210 HydrophobicContact CB-CD1 4.49Å; L199-L210 HydrophobicContact CD2-CD1 4.44Å; L199-L210 WeakPolarHBondContact O-CD1 3.31Å; L199-I215 HydrophobicContact CD2-CD1 3.51Å; L199-V237 HydrophobicContact CD1-CB 4.36Å; L199-V237 HydrophobicContact CD1-CG1 3.51Å; L199-I241 HydrophobicContact CB-CD1 3.53Å; L199-I241 HydrophobicContact CD1-CD1 4.07Å; L199-I241 HydrophobicContact CG-CD1 4.42Å
200	I	98.5	Very high	97.1	Very high	55 Å²	55	58.5 Å²	58.5	28%	0.282	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-44.1	173.1	-71.8	168.8	0	0	0	110.2	K196 S197 K203 Q204 I241	K196-I200 HydrophobicContact CG-CD1 3.89Å; K196-I200 VanDerWaalsContact O-CG1 3.32Å; K196-I200 WeakPolarHBondContact O-CG1 3.46Å; K196-I200 PolarHBondContact O-N 3.44Å; S197-I200 PolarHBondContact O-N 3.43Å; I200-K203 WeakPolarHBondContact O-CB 3.36Å; I200-K203 PolarHBondContact O-N 2.97Å; I200-Q204 VanDerWaalsContact O-CG 3.31Å; I200-Q204 WeakPolarHBondContact O-CG 3.17Å; I200-Q204 PolarHBondContact O-N 3.44Å; I200-I241 HydrophobicContact CD1-CG2 4.44Å; I200-I241 HydrophobicContact CG1-CB 4.09Å; I200-I241 HydrophobicContact CG1-CG2 3.97Å
201	I	98.7	Very high	97	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-45.6	179.1	-65.1	169.9	0	0	0	110.4	I38 A177 L181 V184 S197 S198 L199 K203 Q204 V205	I38-I201 HydrophobicContact CD1-CB 3.85Å; I38-I201 HydrophobicContact CD1-CG2 3.52Å; A177-I201 HydrophobicContact CB-CG2 3.68Å; L181-I201 HydrophobicContact CB-CD1 4.4Å; L181-I201 HydrophobicContact CD2-CD1 3.56Å; L181-I201 HydrophobicContact CG-CD1 3.76Å; V184-I201 HydrophobicContact CG2-CD1 3.97Å; S197-I201 VanDerWaalsContact O-CG1 3.23Å; S197-I201 WeakPolarHBondContact O-CG1 3.45Å; S197-I201 PolarHBondContact O-N 2.87Å; S198-I201 PolarHBondContact O-N 3.29Å; L199-I201 VanDerWaalsContact C-N 3.31Å; L199-I201 PolarHBondContact O-N 3.23Å; I201-K203 VanDerWaalsContact C-N 3.32Å; I201-K203 PolarHBondContact O-N 2.93Å; I201-Q204 WeakPolarHBondContact O-CB 3.32Å; I201-Q204 PolarHBondContact O-N 3.06Å; I201-Q204 VanDerWaalsContact O-N 3.08Å; I201-V205 WeakPolarHBondContact O-CG2 3.5Å; I201-V205 PolarHBondContact O-N 3.36Å; I201-V205 VanDerWaalsContact O-N 3.14Å
202	L	98.3	Very high	96.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-55.9	-47.9	173.6	-77.1	-179.3	0	0	0	111.2	T36 I38 A49 E51 S198 L199 Q204 V205 M206 L210	T36-L202 HydrophobicContact CG2-CD2 4.1Å; I38-L202 HydrophobicContact CD1-CD2 3.97Å; I38-L202 HydrophobicContact CD1-CG 3.97Å; I38-L202 HydrophobicContact CG1-CD2 4.26Å; A49-L202 HydrophobicContact CB-CD1 3.76Å; E51-L202 HydrophobicContact CB-CD2 4.45Å; S198-L202 WeakPolarHBondContact O-CB 3.48Å; S198-L202 WeakPolarHBondContact O-CG 3.46Å; S198-L202 PolarHBondContact O-N 3.31Å; L199-L202 HydrophobicContact CD2-CD1 4.5Å; L199-L202 PolarHBondContact O-N 3.21Å; L202-Q204 PolarHBondContact O-N 3.5Å; L202-V205 PolarHBondContact O-N 2.94Å; L202-V205 VanDerWaalsContact O-N 3.1Å; L202-M206 HydrophobicContact CB-SD 3.96Å; L202-M206 VanDerWaalsContact O-CB 3.26Å; L202-M206 WeakPolarHBondContact O-CB 3.46Å; L202-M206 WeakPolarHBondContact O-CG 3.3Å; L202-M206 PolarHBondContact O-N 2.65Å; L202-L210 HydrophobicContact CB-CD1 3.96Å
203	K	97.2	Very high	96.7	Very high	98 Å²	98	54.3 Å²	54.3	43%	0.426	26%	0.262	S	S	.	.	H	α-helix	trans	-57	-31.6	176.7	-179.5	178.6	175.4	-179.5	0	113.3	L199 I200 I201 L210 I241	L199-K203 VanDerWaalsContact O-CB 3.27Å; L199-K203 WeakPolarHBondContact O-CB 3.27Å; L199-K203 PolarHBondContact O-N 3.25Å; I200-K203 WeakPolarHBondContact O-CB 3.36Å; I200-K203 PolarHBondContact O-N 2.97Å; I201-K203 VanDerWaalsContact C-N 3.32Å; I201-K203 PolarHBondContact O-N 2.93Å; K203-L210 HydrophobicContact CB-CB 4.22Å; K203-L210 HydrophobicContact CB-CD1 4.07Å; K203-L210 HydrophobicContact CG-CB 4.45Å; K203-I241 PolarHBondContact NZ-O 3.48Å; K203-I241 PolarHBondContact NZ-OXT 3.2Å
204	Q	97.1	Very high	96.6	Very high	122 Å²	122	50.2 Å²	50.2	57%	0.57	24%	0.243	S	C	*	.	H	α-helix	trans	-76	-34.5	177.8	-72.5	169.3	-7.5	0	0	113	S180 I200 I201 L202	S180-Q204 PolarHBondContact OG-OE1 2.93Å; I200-Q204 VanDerWaalsContact O-CG 3.31Å; I200-Q204 WeakPolarHBondContact O-CG 3.17Å; I200-Q204 PolarHBondContact O-N 3.44Å; I201-Q204 WeakPolarHBondContact O-CB 3.32Å; I201-Q204 PolarHBondContact O-N 3.06Å; I201-Q204 VanDerWaalsContact O-N 3.08Å; L202-Q204 PolarHBondContact O-N 3.5Å
205	V	96.8	Very high	96.6	Very high	36 Å²	36	50.3 Å²	50.3	22%	0.218	24%	0.243	C	C	.	.	H	α-helix	trans	-100.4	-15.7	-173.6	-56.1	0	0	0	0	114	T36 A173 A177 I201 L202	T36-V205 HydrophobicContact CG2-CG2 4.23Å; A173-V205 HydrophobicContact CB-CB 3.67Å; A173-V205 HydrophobicContact CB-CG1 4.39Å; A173-V205 HydrophobicContact CB-CG2 3.98Å; A177-V205 HydrophobicContact CB-CG1 4.25Å; A177-V205 HydrophobicContact CB-CG2 4.48Å; I201-V205 WeakPolarHBondContact O-CG2 3.5Å; I201-V205 PolarHBondContact O-N 3.36Å; I201-V205 VanDerWaalsContact O-N 3.14Å; L202-V205 PolarHBondContact O-N 2.94Å; L202-V205 VanDerWaalsContact O-N 3.1Å
206	M	95.5	Very high	96.6	Very high	17 Å²	17	50.3 Å²	50.3	8%	0.084	24%	0.243	C	C	.	.			trans	-72	141.2	175.2	-76	170.9	64.1	0	0	111.4	E51 L202 L210 N214 I215	E51-M206 HydrophobicContact CB-CG 4.15Å; E51-M206 HydrophobicContact CB-SD 4.22Å; E51-M206 HydrophobicContact CG-CE 4.08Å; E51-M206 HydrophobicContact CG-CG 3.83Å; E51-M206 HydrophobicContact CG-SD 4.14Å; L202-M206 HydrophobicContact CB-SD 3.96Å; L202-M206 VanDerWaalsContact O-CB 3.26Å; L202-M206 WeakPolarHBondContact O-CB 3.46Å; L202-M206 WeakPolarHBondContact O-CG 3.3Å; L202-M206 PolarHBondContact O-N 2.65Å; M206-L210 HydrophobicContact CE-CB 4.18Å; M206-L210 HydrophobicContact CE-CG 4.49Å; M206-L210 HydrophobicContact SD-CB 4.16Å; M206-L210 HydrophobicContact SD-CD1 4Å; M206-L210 HydrophobicContact SD-CG 4.24Å; M206-N214 HydrophobicContact CE-CB 4.47Å; M206-I215 HydrophobicContact CE-CG2 4.13Å; M206-I215 HydrophobicContact SD-CG2 4.03Å
207	E	92.2	Very high	96.6	Very high	166 Å²	166	45.9 Å²	45.9	78%	0.776	22%	0.224	S	C	*	.	S	Bend	trans	-73	-34.1	175	-65.4	173.8	-160.7	0	0	111.9	R53	R53-E207 IonicContact NH2-OE1 3.78Å
208	E	91.7	Very high	96.6	Very high	108 Å²	108	45 Å²	45	51%	0.505	22%	0.218	S	C	.	.	S	Bend	trans	-98.9	156.8	179.4	-64.5	-172.2	172.7	0	0	112.1	L210	E208-L210 PolarHBondContact O-N 2.92Å; E208-L210 VanDerWaalsContact O-N 3.13Å
209	K	94.4	Very high	96.6	Very high	185 Å²	185	45.2 Å²	45.2	80%	0.804	22%	0.219	S	C	*	.	P	Polyproline II helix	trans	-61.9	119.2	172.6	-174.8	-178.1	177.5	-175.7	0	110	N211 N214	K209-N211 PolarHBondContact O-N 3.37Å; K209-N211 PolarHBondContact O-ND2 2.74Å; K209-N214 PolarHBondContact O-ND2 3.23Å
210	L	96.1	Very high	96.6	Very high	9 Å²	9	45.3 Å²	45.3	5%	0.047	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-55.5	130.9	174	-174.9	155.5	0	0	0	111.3	L199 L202 K203 M206 E208 I215 I238 I241	L199-L210 HydrophobicContact CB-CD1 4.49Å; L199-L210 HydrophobicContact CD2-CD1 4.44Å; L199-L210 WeakPolarHBondContact O-CD1 3.31Å; L202-L210 HydrophobicContact CB-CD1 3.96Å; K203-L210 HydrophobicContact CB-CB 4.22Å; K203-L210 HydrophobicContact CB-CD1 4.07Å; K203-L210 HydrophobicContact CG-CB 4.45Å; M206-L210 HydrophobicContact CE-CB 4.18Å; M206-L210 HydrophobicContact CE-CG 4.49Å; M206-L210 HydrophobicContact SD-CB 4.16Å; M206-L210 HydrophobicContact SD-CD1 4Å; M206-L210 HydrophobicContact SD-CG 4.24Å; E208-L210 PolarHBondContact O-N 2.92Å; E208-L210 VanDerWaalsContact O-N 3.13Å; L210-I215 HydrophobicContact CD1-CD1 4.46Å; L210-I215 HydrophobicContact CD1-CG2 3.91Å; L210-I215 HydrophobicContact CD2-CD1 3.98Å; L210-I215 HydrophobicContact CG-CD1 4.3Å; L210-I215 HydrophobicContact CG-CG2 3.76Å; L210-I238 HydrophobicContact CD2-CD1 3.72Å; L210-I238 HydrophobicContact CD2-CG1 3.61Å; L210-I238 HydrophobicContact CD2-CG2 4.17Å; L210-I241 HydrophobicContact CD2-CD1 3.97Å
211	N	95.8	Very high	96.6	Very high	59 Å²	59	45.4 Å²	45.4	32%	0.316	22%	0.219	S	C	.	.			trans	-155	170.4	176.7	65.7	71.9	0	0	0	110	K209 T213 N214	K209-N211 PolarHBondContact O-N 3.37Å; K209-N211 PolarHBondContact O-ND2 2.74Å; N211-T213 PolarHBondContact O-N 3.27Å; N211-T213 PolarHBondContact OD1-N 2.97Å; N211-T213 PolarHBondContact OD1-OG1 2.88Å; N211-N214 PolarHBondContact N-OD1 3.19Å; N211-N214 PolarHBondContact ND2-ND2 2.82Å; N211-N214 PolarHBondContact O-N 2.93Å; N211-N214 PolarHBondContact O-OD1 2.92Å; N211-N214 PolarHBondContact OD1-N 3.11Å
212	A	95.4	Very high	96.4	Very high	12 Å²	12	48.7 Å²	48.7	10%	0.099	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.4	-172.6	0	0	0	0	0	115.4	K231 L234 E235 I238	A212-K231 HydrophobicContact CB-CG 3.93Å; A212-L234 HydrophobicContact CB-CB 3.81Å; A212-E235 HydrophobicContact CB-CG 3.57Å; A212-I238 HydrophobicContact CB-CD1 4.1Å
213	T	94.5	Very high	96	Very high	52 Å²	52	53 Å²	53	32%	0.319	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-25.3	176.2	71	0	0	0	0	112.9	K52 I54 N211	K52-T213 WeakPolarHBondContact CE-O 3.31Å; I54-T213 WeakPolarHBondContact CD1-O 3.48Å; N211-T213 PolarHBondContact O-N 3.27Å; N211-T213 PolarHBondContact OD1-N 2.97Å; N211-T213 PolarHBondContact OD1-OG1 2.88Å
214	N	95.8	Very high	95.6	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.011	29%	0.29	C	S	.	.	S	Bend	trans	-103.9	16.1	-176.1	71.9	0.9	0	0	0	114.2	K52 I54 M206 K209 N211	K52-N214 PolarHBondContact N-O 2.99Å; I54-N214 HydrophobicContact CD1-CB 4.18Å; M206-N214 HydrophobicContact CE-CB 4.47Å; K209-N214 PolarHBondContact O-ND2 3.23Å; N211-N214 PolarHBondContact N-OD1 3.19Å; N211-N214 PolarHBondContact ND2-ND2 2.82Å; N211-N214 PolarHBondContact O-N 2.93Å; N211-N214 PolarHBondContact O-OD1 2.92Å; N211-N214 PolarHBondContact OD1-N 3.11Å
215	I	97.7	Very high	95.3	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	162.6	170.2	64.4	167.4	0	0	0	112.2	V50 K52 L199 M206 L210 L234 I238	V50-I215 CarbonylContact O-C 3.52Å; V50-I215 WeakPolarHBondContact O-CA 3.32Å; K52-I215 WeakPolarHBondContact CE-O 3.22Å; L199-I215 HydrophobicContact CD2-CD1 3.51Å; M206-I215 HydrophobicContact CE-CG2 4.13Å; M206-I215 HydrophobicContact SD-CG2 4.03Å; L210-I215 HydrophobicContact CD1-CD1 4.46Å; L210-I215 HydrophobicContact CD1-CG2 3.91Å; L210-I215 HydrophobicContact CD2-CD1 3.98Å; L210-I215 HydrophobicContact CG-CD1 4.3Å; L210-I215 HydrophobicContact CG-CG2 3.76Å; I215-L234 HydrophobicContact CD1-CD2 3.92Å; I215-L234 HydrophobicContact CG1-CD1 4.33Å; I215-L234 HydrophobicContact CG1-CD2 4.27Å; I215-I238 HydrophobicContact CD1-CD1 3.92Å; I215-I238 HydrophobicContact CD1-CG1 4.37Å
216	E	98.4	Very high	95.3	Very high	19 Å²	19	52.7 Å²	52.7	9%	0.089	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148	162.2	-67.1	-178.3	157.2	0	0	109.4	A49 V50 K52 I64 K66 I67	A49-E216 CarbonylContact C-O 3.6Å; A49-E216 WeakPolarHBondContact CA-O 3.47Å; V50-E216 PolarHBondContact N-O 3.48Å; V50-E216 PolarHBondContact O-N 2.95Å; K52-E216 HydrophobicContact CD-CG 3.66Å; K52-E216 HydrophobicContact CG-CG 4.06Å; K52-E216 IonicContact NZ-OE1 2.6Å; I64-E216 VanDerWaalsContact O-OE1 3.11Å; K66-E216 WeakPolarHBondContact CA-OE2 3.26Å; K66-E216 PolarHBondContact N-OE2 3.24Å; I67-E216 HydrophobicContact CD1-CB 3.72Å; I67-E216 HydrophobicContact CG1-CB 4.03Å; I67-E216 PolarHBondContact N-OE2 3.46Å
217	L	98.7	Very high	95.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	131.5	175.4	-176.6	69.5	0	0	0	108	C47 L48 A49 I195 F229 L234	C47-L217 WeakPolarHBondContact SG-CD1 3.24Å; L48-L217 CarbonylContact O-C 3.57Å; L48-L217 WeakPolarHBondContact O-CA 3.48Å; A49-L217 HydrophobicContact CB-CD1 3.78Å; I195-L217 HydrophobicContact CG1-CD2 4.44Å; I195-L217 HydrophobicContact CG2-CD1 4.43Å; I195-L217 HydrophobicContact CG2-CD2 3.6Å; L217-F229 HydrophobicContact CB-CB 4.15Å; L217-F229 HydrophobicContact CB-CD2 4.24Å; L217-F229 HydrophobicContact CB-CG 4.08Å; L217-F229 HydrophobicContact CD2-CD1 3.61Å; L217-F229 HydrophobicContact CD2-CD2 4Å; L217-F229 HydrophobicContact CD2-CE1 3.62Å; L217-F229 HydrophobicContact CD2-CE2 4.01Å; L217-F229 HydrophobicContact CD2-CG 3.81Å; L217-F229 HydrophobicContact CD2-CZ 3.83Å; L217-F229 HydrophobicContact CG-CD1 4.36Å; L217-F229 HydrophobicContact CG-CD2 3.92Å; L217-F229 HydrophobicContact CG-CE2 4.14Å; L217-F229 HydrophobicContact CG-CG 4.05Å; L217-F229 HydrophobicContact CG-CZ 4.45Å; L217-F229 WeakPolarHBondContact O-CB 3.46Å; L217-F229 WeakPolarHBondContact O-CD2 3.34Å; L217-F229 PolarHBondContact O-N 3.4Å; L217-L234 HydrophobicContact CB-CD2 3.49Å; L217-L234 VanDerWaalsContact CB-CD2 3.49Å; L217-L234 HydrophobicContact CD2-CD2 4.22Å
218	A	98.8	Very high	95.8	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.5	170.2	0	0	0	0	0	110.8	L48 I67 F226 H227 M228	L48-A218 PolarHBondContact N-O 3.5Å; L48-A218 PolarHBondContact O-N 3.5Å; I67-A218 HydrophobicContact CD1-CB 4.21Å; I67-A218 HydrophobicContact CG2-CB 3.71Å; A218-F226 HydrophobicContact CB-CD2 4.46Å; A218-F226 HydrophobicContact CB-CE2 3.57Å; A218-F226 HydrophobicContact CB-CZ 3.73Å; A218-H227 CarbonylContact C-O 3.57Å; A218-H227 WeakPolarHBondContact CA-O 3.28Å; A218-H227 WeakPolarHBondContact CB-O 3.46Å; A218-M228 HydrophobicContact CB-CE 4.4Å; A218-M228 HydrophobicContact CB-SD 4.13Å
219	T	98.8	Very high	96.1	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.025	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.6	175.3	56.2	0	0	0	0	111.5	V46 L191 I195 H227 F229	V46-T219 CarbonylContact O-C 3.57Å; V46-T219 WeakPolarHBondContact O-CA 3.48Å; L191-T219 HydrophobicContact CD1-CG2 4.2Å; L191-T219 HydrophobicContact CD2-CG2 4.09Å; L191-T219 HydrophobicContact CG-CG2 4.37Å; I195-T219 HydrophobicContact CD1-CG2 3.92Å; I195-T219 HydrophobicContact CG1-CG2 4.19Å; T219-H227 PolarHBondContact N-O 2.88Å; T219-H227 PolarHBondContact O-N 3.47Å; T219-F229 HydrophobicContact CG2-CE2 3.75Å; T219-F229 HydrophobicContact CG2-CZ 4.29Å
220	V	98.6	Very high	96.2	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.7	167.2	-168.7	0	0	0	0	108	G45 V46 H73 V146 F226	G45-V220 CarbonylContact C-O 3.38Å; G45-V220 WeakPolarHBondContact CA-O 3.42Å; V46-V220 PolarHBondContact N-O 3.42Å; V46-V220 PolarHBondContact O-N 2.86Å; H73-V220 WeakPolarHBondContact O-CG1 3.49Å; V146-V220 HydrophobicContact CB-CG1 4.18Å; V146-V220 HydrophobicContact CG2-CB 4.31Å; V146-V220 HydrophobicContact CG2-CG1 3.84Å; V220-F226 HydrophobicContact CG2-CB 4.39Å; V220-F226 HydrophobicContact CG2-CD2 3.98Å
221	Q	97.6	Very high	96.2	Very high	56 Å²	56	45.4 Å²	45.4	26%	0.262	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149.3	-175	-71.6	178.9	88.3	0	0	111	E44 L191 G223 Q224	E44-Q221 WeakPolarHBondContact O-CG 3.43Å; L191-Q221 HydrophobicContact CD2-CG 3.31Å; Q221-G223 PolarHBondContact O-N 3.21Å; Q221-Q224 HydrophobicContact CB-CB 4.2Å; Q221-Q224 VanDerWaalsContact CD-OE1 3.28Å; Q221-Q224 CarbonylContact O-C 3.44Å; Q221-Q224 PolarHBondContact O-N 3.13Å
222	P	94.6	Very high	96.2	Very high	72 Å²	72	48.5 Å²	48.5	47%	0.468	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	126.4	172	-23.1	33.5	0	0	0	112	E44 V146 P151 Q224	E44-P222 WeakPolarHBondContact O-CD 3.49Å; V146-P222 HydrophobicContact CG1-CB 4.21Å; V146-P222 HydrophobicContact CG1-CG 3.95Å; V146-P222 HydrophobicContact CG2-CG 4.49Å; P151-P222 HydrophobicContact CG-CG 4.22Å; P222-Q224 PolarHBondContact O-N 3.01Å
223	G	90.2	Very high	96.3	Very high	91 Å²	91	51.3 Å²	51.3	94%	0.938	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	0.1	-179	0	0	0	0	0	115.2	Q221	Q221-G223 PolarHBondContact O-N 3.21Å
224	Q	88.2	Confident	96.5	Very high	114 Å²	114	49.2 Å²	49.2	53%	0.533	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.7	170.5	-55.1	-174.1	-72.5	0	0	109.5	Q221 P222	Q221-Q224 HydrophobicContact CB-CB 4.2Å; Q221-Q224 VanDerWaalsContact CD-OE1 3.28Å; Q221-Q224 CarbonylContact O-C 3.44Å; Q221-Q224 PolarHBondContact O-N 3.13Å; P222-Q224 PolarHBondContact O-N 3.01Å
225	N	91	Very high	96.6	Very high	110 Å²	110	53.2 Å²	53.2	59%	0.588	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	172.3	175.8	-66	-3.1	0	0	0	110.6	A72 H227	A72-N225 HydrophobicContact CB-CB 4.41Å; A72-N225 CarbonylContact O-C 3.6Å; A72-N225 WeakPolarHBondContact O-CA 3.13Å; A72-N225 VanDerWaalsContact O-CB 3.24Å; A72-N225 WeakPolarHBondContact O-CB 3.43Å; N225-H227 PolarHBondContact O-N 2.81Å
226	F	98.1	Very high	96.5	Very high	26 Å²	26	58.4 Å²	58.4	11%	0.114	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-44.8	125.9	167.1	173.3	-91.3	0	0	0	110.5	I67 E69 A72 A218 V220 M228	I67-F226 HydrophobicContact CG2-CE2 4.09Å; I67-F226 HydrophobicContact CG2-CZ 4.09Å; E69-F226 HydrophobicContact CB-CD1 3.64Å; E69-F226 HydrophobicContact CB-CE1 3.75Å; E69-F226 HydrophobicContact CB-CG 4.13Å; E69-F226 HydrophobicContact CB-CZ 4.32Å; E69-F226 HydrophobicContact CG-CB 4.07Å; E69-F226 HydrophobicContact CG-CD1 3.73Å; E69-F226 HydrophobicContact CG-CE1 4.36Å; E69-F226 HydrophobicContact CG-CG 3.92Å; A72-F226 PolarHBondContact O-N 3.5Å; A218-F226 HydrophobicContact CB-CD2 4.46Å; A218-F226 HydrophobicContact CB-CE2 3.57Å; A218-F226 HydrophobicContact CB-CZ 3.73Å; V220-F226 HydrophobicContact CG2-CB 4.39Å; V220-F226 HydrophobicContact CG2-CD2 3.98Å; F226-M228 HydrophobicContact CE1-CB 4Å; F226-M228 HydrophobicContact CE1-CE 4.33Å; F226-M228 HydrophobicContact CZ-CB 4.38Å; F226-M228 HydrophobicContact CZ-CE 3.81Å
227	H	98.6	Very high	96.4	Very high	71 Å²	71	59.2 Å²	59.2	33%	0.329	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	113.9	179.1	-177.6	64.1	0	0	0	109.7	A218 T219 N225 F229 E233	A218-H227 CarbonylContact C-O 3.57Å; A218-H227 WeakPolarHBondContact CA-O 3.28Å; A218-H227 WeakPolarHBondContact CB-O 3.46Å; T219-H227 PolarHBondContact N-O 2.88Å; T219-H227 PolarHBondContact O-N 3.47Å; N225-H227 PolarHBondContact O-N 2.81Å; H227-F229 AromaticContact CD2-CD2 3.71Å; H227-F229 AromaticContact CD2-CE2 3.75Å; H227-E233 IonicContact CE1-OE1 2.65Å; H227-E233 IonicContact CE1-OE2 2.66Å; H227-E233 PolarHBondContact CE1-OE2 2.88Å; H227-E233 IonicContact NE2-OE1 2.7Å; H227-E233 PolarHBondContact NE2-OE1 3.34Å; H227-E233 IonicContact NE2-OE2 3.64Å; H227-E233 PolarHBondContact NE2-OE2 3.41Å
228	M	98.2	Very high	96.3	Very high	65 Å²	65	60.8 Å²	60.8	32%	0.32	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127	168.3	-176.8	63.3	76.1	0	0	109	I67 A218 F226 T230	I67-M228 HydrophobicContact CB-CE 3.68Å; I67-M228 HydrophobicContact CG2-CE 3.88Å; I67-M228 VanDerWaalsContact O-CE 3.28Å; I67-M228 WeakPolarHBondContact O-CE 3.39Å; A218-M228 HydrophobicContact CB-CE 4.4Å; A218-M228 HydrophobicContact CB-SD 4.13Å; F226-M228 HydrophobicContact CE1-CB 4Å; F226-M228 HydrophobicContact CE1-CE 4.33Å; F226-M228 HydrophobicContact CZ-CB 4.38Å; F226-M228 HydrophobicContact CZ-CE 3.81Å; M228-T230 PolarHBondContact O-N 2.7Å
229	F	98.1	Very high	96.1	Very high	31 Å²	31	67.6 Å²	67.6	14%	0.136	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-69	134.8	-180	-81.1	-124.5	0	0	0	110.7	I195 L217 T219 H227 E233 L234 V237	I195-F229 HydrophobicContact CD1-CZ 4.03Å; L217-F229 HydrophobicContact CB-CB 4.15Å; L217-F229 HydrophobicContact CB-CD2 4.24Å; L217-F229 HydrophobicContact CB-CG 4.08Å; L217-F229 HydrophobicContact CD2-CD1 3.61Å; L217-F229 HydrophobicContact CD2-CD2 4Å; L217-F229 HydrophobicContact CD2-CE1 3.62Å; L217-F229 HydrophobicContact CD2-CE2 4.01Å; L217-F229 HydrophobicContact CD2-CG 3.81Å; L217-F229 HydrophobicContact CD2-CZ 3.83Å; L217-F229 HydrophobicContact CG-CD1 4.36Å; L217-F229 HydrophobicContact CG-CD2 3.92Å; L217-F229 HydrophobicContact CG-CE2 4.14Å; L217-F229 HydrophobicContact CG-CG 4.05Å; L217-F229 HydrophobicContact CG-CZ 4.45Å; L217-F229 WeakPolarHBondContact O-CB 3.46Å; L217-F229 WeakPolarHBondContact O-CD2 3.34Å; L217-F229 PolarHBondContact O-N 3.4Å; T219-F229 HydrophobicContact CG2-CE2 3.75Å; T219-F229 HydrophobicContact CG2-CZ 4.29Å; H227-F229 AromaticContact CD2-CD2 3.71Å; H227-F229 AromaticContact CD2-CE2 3.75Å; F229-E233 VanDerWaalsContact CA-OE2 3.25Å; F229-E233 WeakPolarHBondContact CA-OE2 3.44Å; F229-E233 HydrophobicContact CB-CB 4.26Å; F229-E233 HydrophobicContact CD1-CB 3.67Å; F229-E233 HydrophobicContact CE1-CB 4.42Å; F229-E233 HydrophobicContact CG-CB 4.3Å; F229-L234 HydrophobicContact CB-CD2 3.94Å; F229-L234 HydrophobicContact CB-CG 3.95Å; F229-V237 HydrophobicContact CE1-CG2 4.05Å
230	T	97	Very high	95.4	Very high	61 Å²	61	72.1 Å²	72.1	37%	0.374	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-73.3	167	170.3	84.2	0	0	0	0	110.7	M228 E232 E233 L234	M228-T230 PolarHBondContact O-N 2.7Å; T230-E232 WeakPolarHBondContact CB-OE2 3.39Å; T230-E232 PolarHBondContact O-N 3.34Å; T230-E232 PolarHBondContact OG1-N 3.47Å; T230-E232 PolarHBondContact OG1-OE2 3.1Å; T230-E233 PolarHBondContact N-OE2 3.43Å; T230-E233 PolarHBondContact O-N 3.26Å; T230-E233 PolarHBondContact OG1-N 3.18Å; T230-L234 WeakPolarHBondContact O-CG 3.41Å; T230-L234 PolarHBondContact O-N 2.97Å
231	K	95.5	Very high	94.8	Very high	104 Å²	104	74.5 Å²	74.5	45%	0.452	39%	0.39	S	S	.	.	H	α-helix	trans	-56.9	-41	175.2	-174.1	-176.8	174.2	-170.1	0	111.7	A212 L234 E235	A212-K231 HydrophobicContact CB-CG 3.93Å; K231-L234 PolarHBondContact O-N 3.25Å; K231-E235 WeakPolarHBondContact CE-OE1 3.47Å; K231-E235 IonicContact NZ-OE1 3.76Å; K231-E235 WeakPolarHBondContact O-CB 3.37Å; K231-E235 VanDerWaalsContact O-CG 3.31Å; K231-E235 WeakPolarHBondContact O-CG 3.46Å; K231-E235 PolarHBondContact O-N 2.72Å
232	E	97.2	Very high	94.7	Very high	124 Å²	124	75.4 Å²	75.4	58%	0.579	40%	0.397	S	S	*	.	H	α-helix	trans	-66.9	-40.9	-180	-60.2	70.1	-150.9	0	0	111.5	T230 E235 E236	T230-E232 WeakPolarHBondContact CB-OE2 3.39Å; T230-E232 PolarHBondContact O-N 3.34Å; T230-E232 PolarHBondContact OG1-N 3.47Å; T230-E232 PolarHBondContact OG1-OE2 3.1Å; E232-E235 PolarHBondContact O-N 3.24Å; E232-E236 PolarHBondContact O-N 2.86Å
233	E	97.7	Very high	94.7	Very high	70 Å²	70	75.6 Å²	75.6	33%	0.327	39%	0.393	S	S	.	.	H	α-helix	trans	-65.2	-42.8	175.4	-64.4	178.5	134.9	0	0	111.1	H227 F229 T230 E236 V237	H227-E233 IonicContact CE1-OE1 2.65Å; H227-E233 IonicContact CE1-OE2 2.66Å; H227-E233 PolarHBondContact CE1-OE2 2.88Å; H227-E233 IonicContact NE2-OE1 2.7Å; H227-E233 PolarHBondContact NE2-OE1 3.34Å; H227-E233 IonicContact NE2-OE2 3.64Å; H227-E233 PolarHBondContact NE2-OE2 3.41Å; F229-E233 VanDerWaalsContact CA-OE2 3.25Å; F229-E233 WeakPolarHBondContact CA-OE2 3.44Å; F229-E233 HydrophobicContact CB-CB 4.26Å; F229-E233 HydrophobicContact CD1-CB 3.67Å; F229-E233 HydrophobicContact CE1-CB 4.42Å; F229-E233 HydrophobicContact CG-CB 4.3Å; T230-E233 PolarHBondContact N-OE2 3.43Å; T230-E233 PolarHBondContact O-N 3.26Å; T230-E233 PolarHBondContact OG1-N 3.18Å; E233-E236 PolarHBondContact O-N 3.43Å; E233-V237 WeakPolarHBondContact O-CG2 3.44Å; E233-V237 PolarHBondContact O-N 3.1Å
234	L	97.8	Very high	95	Very high	8 Å²	8	74.7 Å²	74.7	4%	0.042	36%	0.363	C	S	.	.	H	α-helix	trans	-59.4	-47.9	173.3	-72.1	174.9	0	0	0	111.3	A212 I215 L217 F229 T230 K231 E236 V237 I238	A212-L234 HydrophobicContact CB-CB 3.81Å; I215-L234 HydrophobicContact CD1-CD2 3.92Å; I215-L234 HydrophobicContact CG1-CD1 4.33Å; I215-L234 HydrophobicContact CG1-CD2 4.27Å; L217-L234 HydrophobicContact CB-CD2 3.49Å; L217-L234 VanDerWaalsContact CB-CD2 3.49Å; L217-L234 HydrophobicContact CD2-CD2 4.22Å; F229-L234 HydrophobicContact CB-CD2 3.94Å; F229-L234 HydrophobicContact CB-CG 3.95Å; T230-L234 WeakPolarHBondContact O-CG 3.41Å; T230-L234 PolarHBondContact O-N 2.97Å; K231-L234 PolarHBondContact O-N 3.25Å; L234-E236 VanDerWaalsContact C-N 3.25Å; L234-E236 PolarHBondContact O-N 2.92Å; L234-V237 PolarHBondContact O-N 3.45Å; L234-I238 HydrophobicContact CB-CD1 4.35Å; L234-I238 VanDerWaalsContact O-CB 3.31Å; L234-I238 WeakPolarHBondContact O-CB 3.18Å; L234-I238 VanDerWaalsContact O-CD1 3.32Å; L234-I238 WeakPolarHBondContact O-CD1 3.36Å; L234-I238 WeakPolarHBondContact O-CG1 3.19Å; L234-I238 PolarHBondContact O-N 3.36Å
235	E	97.3	Very high	95.3	Very high	86 Å²	86	72.4 Å²	72.4	40%	0.402	35%	0.353	S	S	.	.	H	α-helix	trans	-57.9	-38.4	177.7	-76.9	177.4	-178.8	0	0	112.1	A212 K231 E232 K239	A212-E235 HydrophobicContact CB-CG 3.57Å; K231-E235 WeakPolarHBondContact CE-OE1 3.47Å; K231-E235 IonicContact NZ-OE1 3.76Å; K231-E235 WeakPolarHBondContact O-CB 3.37Å; K231-E235 VanDerWaalsContact O-CG 3.31Å; K231-E235 WeakPolarHBondContact O-CG 3.46Å; K231-E235 PolarHBondContact O-N 2.72Å; E232-E235 PolarHBondContact O-N 3.24Å; E235-K239 WeakPolarHBondContact O-CG 3.17Å; E235-K239 PolarHBondContact O-N 2.98Å
236	E	96.6	Very high	95.6	Very high	110 Å²	110	70.1 Å²	70.1	51%	0.514	34%	0.338	S	S	.	.	H	α-helix	trans	-67.1	-48.3	177.5	-170.7	61.1	-165.1	0	0	112	E232 E233 L234 I238 K239	E232-E236 PolarHBondContact O-N 2.86Å; E233-E236 PolarHBondContact O-N 3.43Å; L234-E236 VanDerWaalsContact C-N 3.25Å; L234-E236 PolarHBondContact O-N 2.92Å; E236-I238 VanDerWaalsContact C-N 3.29Å; E236-I238 PolarHBondContact O-N 3.44Å; E236-K239 WeakPolarHBondContact O-CB 3.07Å; E236-K239 PolarHBondContact O-N 3.05Å; E236-K239 IonicContact OE2-NZ 2.69Å; E236-K239 PolarHBondContact OE2-NZ 3.09Å
237	V	96.3	Very high	95.5	Very high	36 Å²	36	73 Å²	73	22%	0.218	35%	0.353	C	S	.	.	H	α-helix	trans	-66.1	-33.7	179	-178.9	0	0	0	0	111.5	I195 L199 F229 E233 L234 K239 D240	I195-V237 HydrophobicContact CG2-CG1 3.61Å; L199-V237 HydrophobicContact CD1-CB 4.36Å; L199-V237 HydrophobicContact CD1-CG1 3.51Å; F229-V237 HydrophobicContact CE1-CG2 4.05Å; E233-V237 WeakPolarHBondContact O-CG2 3.44Å; E233-V237 PolarHBondContact O-N 3.1Å; L234-V237 PolarHBondContact O-N 3.45Å; V237-K239 VanDerWaalsContact C-N 3.27Å; V237-K239 PolarHBondContact O-N 3.23Å; V237-D240 PolarHBondContact O-N 3.13Å
238	I	96.7	Very high	95.2	Very high	33 Å²	33	73.1 Å²	73.1	17%	0.169	35%	0.354	C	S	.	.	H	α-helix	trans	-67.1	-25.5	178.7	-71	163.7	0	0	0	112.4	L210 A212 I215 L234 E236 D240 I241	L210-I238 HydrophobicContact CD2-CD1 3.72Å; L210-I238 HydrophobicContact CD2-CG1 3.61Å; L210-I238 HydrophobicContact CD2-CG2 4.17Å; A212-I238 HydrophobicContact CB-CD1 4.1Å; I215-I238 HydrophobicContact CD1-CD1 3.92Å; I215-I238 HydrophobicContact CD1-CG1 4.37Å; L234-I238 HydrophobicContact CB-CD1 4.35Å; L234-I238 VanDerWaalsContact O-CB 3.31Å; L234-I238 WeakPolarHBondContact O-CB 3.18Å; L234-I238 VanDerWaalsContact O-CD1 3.32Å; L234-I238 WeakPolarHBondContact O-CD1 3.36Å; L234-I238 WeakPolarHBondContact O-CG1 3.19Å; L234-I238 PolarHBondContact O-N 3.36Å; E236-I238 VanDerWaalsContact C-N 3.29Å; E236-I238 PolarHBondContact O-N 3.44Å; I238-D240 PolarHBondContact O-N 3.06Å; I238-I241 HydrophobicContact CB-CD1 4.46Å; I238-I241 HydrophobicContact CG1-CD1 4.26Å; I238-I241 HydrophobicContact CG2-CD1 4.46Å; I238-I241 HydrophobicContact CG2-CG1 4.42Å; I238-I241 WeakPolarHBondContact O-CG1 3.25Å; I238-I241 PolarHBondContact O-N 3.33Å
239	K	93.8	Very high	95	Very high	144 Å²	144	73.8 Å²	73.8	63%	0.626	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.3	177.9	-71.9	164.5	-165.4	168.5	0	112.7	E235 E236 V237	E235-K239 WeakPolarHBondContact O-CG 3.17Å; E235-K239 PolarHBondContact O-N 2.98Å; E236-K239 WeakPolarHBondContact O-CB 3.07Å; E236-K239 PolarHBondContact O-N 3.05Å; E236-K239 IonicContact OE2-NZ 2.69Å; E236-K239 PolarHBondContact OE2-NZ 3.09Å; V237-K239 VanDerWaalsContact C-N 3.27Å; V237-K239 PolarHBondContact O-N 3.23Å
240	D	84.9	Confident	94.7	Very high	100 Å²	100	77.3 Å²	77.3	54%	0.535	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	6.4	-174.4	-72.8	-20.2	0	0	0	114.4	K196 V237 I238	K196-D240 VanDerWaalsContact CE-O 3.24Å; K196-D240 WeakPolarHBondContact CE-O 3.46Å; K196-D240 PolarHBondContact NZ-O 3.27Å; V237-D240 PolarHBondContact O-N 3.13Å; I238-D240 PolarHBondContact O-N 3.06Å
241	I	86	Confident	94.5	Very high	52 Å²	52	78.8 Å²	78.8	27%	0.267	38%	0.376	S	S	.	.			trans	-127.3	0	-172.5	62.7	172.3	0	0	0	116.9	K196 L199 I200 K203 L210 I238	K196-I241 HydrophobicContact CG-CG2 3.82Å; L199-I241 HydrophobicContact CB-CD1 3.53Å; L199-I241 HydrophobicContact CD1-CD1 4.07Å; L199-I241 HydrophobicContact CG-CD1 4.42Å; I200-I241 HydrophobicContact CD1-CG2 4.44Å; I200-I241 HydrophobicContact CG1-CB 4.09Å; I200-I241 HydrophobicContact CG1-CG2 3.97Å; K203-I241 PolarHBondContact NZ-O 3.48Å; K203-I241 PolarHBondContact NZ-OXT 3.2Å; L210-I241 HydrophobicContact CD2-CD1 3.97Å; I238-I241 HydrophobicContact CB-CD1 4.46Å; I238-I241 HydrophobicContact CG1-CD1 4.26Å; I238-I241 HydrophobicContact CG2-CD1 4.46Å; I238-I241 HydrophobicContact CG2-CG1 4.42Å; I238-I241 WeakPolarHBondContact O-CG1 3.25Å; I238-I241 PolarHBondContact O-N 3.33Å

Retrieved 241 of 241 residues in 93.3 ms (Link to these results)

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