A0A087XT47_POEFO Loading...

GMP reductase

Catalyzes the irreversible NADPH-dependent deamination of GMP to IMP. It functions in the conversion of nucleobase, nucleoside and nucleotide derivatives of G to A nucleotides, and in maintaining the intracellular balance of A and G nucleotides. Plays a role in modulating cellular differentiation.

AlphaFold DB , UniProt , Accession A0A087XT47, Species POEFO (Poecilia formosa, Amazon molly), Gene GMPR, Length 347 aa.

Structure Viewer

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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	59.9	Low	90.6	Very high	237 Å²	237	122 Å²	122	100%	1.167	61%	0.607	S	S	*	*				0	142.2	0	-74.7	-163.3	-88	0	0	108.2
2	P	84	Confident	91.3	Very high	126 Å²	126	112.3 Å²	112.3	82%	0.818	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-63	142.6	175.6	27.9	-33.8	0	0	0	110.3
3	R	91.9	Very high	91.8	Very high	223 Å²	223	113 Å²	113	84%	0.842	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-96	135	172.3	-177.1	179.6	178.7	-175.8	-2.2	108.4
4	I	91.4	Very high	92.3	Very high	133 Å²	133	107.5 Å²	107.5	68%	0.682	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-102.8	124.6	171	-60.4	176.7	0	0	0	107.5
5	E	91.4	Very high	92.7	Very high	107 Å²	107	100.3 Å²	100.3	50%	0.5	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-83.3	120.9	168.8	-70.2	-170.8	-152.4	0	0	109.6	K9	E5-K9 WeakPolarHBondContact OE2-CE 3.42Å; E5-K9 IonicContact OE2-NZ 2.74Å; E5-K9 PolarHBondContact OE2-NZ 2.98Å
6	N	93.5	Very high	93.1	Very high	145 Å²	145	98.3 Å²	98.3	78%	0.775	49%	0.486	S	S	*	.			trans	-93	-10.3	179.7	-64.8	-63.8	0	0	0	112.9
7	D	95	Very high	93.4	Very high	124 Å²	124	94.5 Å²	94.5	66%	0.663	47%	0.468	S	S	*	.	S	Bend	trans	-71.3	136.6	179.7	-65.1	-34.7	0	0	0	110.7	K9	D7-K9 PolarHBondContact O-N 3.31Å
8	I	95.8	Very high	93.7	Very high	118 Å²	118	97.1 Å²	97.1	61%	0.605	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-68.8	118.6	179.7	-59.9	173.3	0	0	0	109.2	L10	I8-L10 HydrophobicContact CG2-CD2 3.7Å; I8-L10 HydrophobicContact CG2-CG 4.42Å
9	K	97.5	Very high	94	Very high	61 Å²	61	96.2 Å²	96.2	27%	0.265	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-94.9	142.7	169.5	-51.7	-59	177.6	163.6	0	109.8	E5 D7 Y196 P197 S200	E5-K9 WeakPolarHBondContact OE2-CE 3.42Å; E5-K9 IonicContact OE2-NZ 2.74Å; E5-K9 PolarHBondContact OE2-NZ 2.98Å; D7-K9 PolarHBondContact O-N 3.31Å; K9-Y196 HydrophobicContact CD-CE1 3.9Å; K9-Y196 WeakPolarHBondContact CE-OH 3.13Å; K9-Y196 HydrophobicContact CG-CE1 4.27Å; K9-Y196 PolarHBondContact NZ-OH 3.23Å; K9-P197 HydrophobicContact CB-CB 4.05Å; K9-P197 HydrophobicContact CB-CG 3.62Å; K9-S200 WeakPolarHBondContact CA-OG 3.42Å
10	L	98.3	Very high	94.2	Very high	30 Å²	30	95.1 Å²	95.1	16%	0.157	47%	0.466	C	S	.	.			trans	-121.7	141.3	-168	-58.5	173.3	0	0	0	110.7	I8 D14 V15 P197 L199 S200 R335	I8-L10 HydrophobicContact CG2-CD2 3.7Å; I8-L10 HydrophobicContact CG2-CG 4.42Å; L10-D14 HydrophobicContact CB-CB 4.32Å; L10-D14 HydrophobicContact CD2-CB 3.84Å; L10-V15 HydrophobicContact CD1-CG1 3.96Å; L10-P197 CarbonylContact O-C 3.58Å; L10-P197 WeakPolarHBondContact O-CB 3.25Å; L10-L199 HydrophobicContact CB-CD2 4.02Å; L10-L199 WeakPolarHBondContact O-CB 3.38Å; L10-L199 PolarHBondContact O-N 2.84Å; L10-S200 PolarHBondContact N-OG 2.88Å; L10-S200 PolarHBondContact O-N 3.14Å; L10-S200 VanDerWaalsContact O-N 3.07Å; L10-R335 HydrophobicContact CD1-CG 4.23Å
11	D	98.5	Very high	94.4	Very high	38 Å²	38	101 Å²	101	20%	0.203	48%	0.483	C	S	.	.			trans	-96.3	170.6	162.9	-88	-48.6	0	0	0	110.1	K13 D14 R189 P197 Q198	D11-K13 HydrophobicContact CB-CG 4.38Å; D11-K13 PolarHBondContact O-N 3.03Å; D11-K13 VanDerWaalsContact O-N 3.11Å; D11-D14 PolarHBondContact N-OD2 2.79Å; D11-D14 PolarHBondContact O-N 2.87Å; D11-R189 IonicContact OD2-NH1 3.85Å; D11-P197 WeakPolarHBondContact OD1-CA 3.34Å; D11-Q198 PolarHBondContact OD1-N 3.03Å
12	F	98.5	Very high	96.2	Very high	6 Å²	6	91.6 Å²	91.6	3%	0.026	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-54.6	-34.1	178.8	-61.6	-53.9	0	0	0	112.9	D14 Q198 L199 D227 K230 A231	F12-D14 PolarHBondContact O-N 3.38Å; F12-Q198 HydrophobicContact CE2-CB 4.03Å; F12-Q198 HydrophobicContact CE2-CG 3.57Å; F12-Q198 HydrophobicContact CZ-CB 4.24Å; F12-Q198 HydrophobicContact CZ-CG 3.57Å; F12-L199 HydrophobicContact CD1-CB 4.04Å; F12-L199 HydrophobicContact CD1-CD1 4Å; F12-L199 HydrophobicContact CE1-CB 4.28Å; F12-L199 HydrophobicContact CE1-CD1 4.13Å; F12-D227 HydrophobicContact CB-CB 4.14Å; F12-D227 WeakPolarHBondContact CB-OD1 3.22Å; F12-D227 HydrophobicContact CD2-CB 4Å; F12-D227 HydrophobicContact CG-CB 4.07Å; F12-K230 HydrophobicContact CB-CD 4.06Å; F12-K230 HydrophobicContact CD1-CB 3.82Å; F12-K230 HydrophobicContact CE1-CB 4.43Å; F12-K230 VanDerWaalsContact O-CD 3.29Å; F12-K230 WeakPolarHBondContact O-CD 3.12Å; F12-K230 WeakPolarHBondContact O-CE 3.32Å; F12-K230 PolarHBondContact O-NZ 3.08Å; F12-A231 HydrophobicContact CE1-CB 3.82Å; F12-A231 HydrophobicContact CZ-CB 3.86Å
13	K	98	Very high	96.8	Very high	121 Å²	121	91.2 Å²	91.2	53%	0.526	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-68.8	-18.3	-179.2	72.6	179.2	178.7	63.1	0	114.7	D11 V15 Q339	D11-K13 HydrophobicContact CB-CG 4.38Å; D11-K13 PolarHBondContact O-N 3.03Å; D11-K13 VanDerWaalsContact O-N 3.11Å; K13-V15 VanDerWaalsContact C-N 3.26Å; K13-V15 PolarHBondContact O-N 2.91Å; K13-Q339 VanDerWaalsContact CB-OE1 3.25Å
14	D	98.6	Very high	97.1	Very high	36 Å²	36	82.1 Å²	82.1	19%	0.193	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-87.3	0.8	-173.2	-53.4	-45.2	0	0	0	112.2	L10 D11 F12 R335 V336	L10-D14 HydrophobicContact CB-CB 4.32Å; L10-D14 HydrophobicContact CD2-CB 3.84Å; D11-D14 PolarHBondContact N-OD2 2.79Å; D11-D14 PolarHBondContact O-N 2.87Å; F12-D14 PolarHBondContact O-N 3.38Å; D14-R335 CarbonylContact O-C 3.58Å; D14-R335 WeakPolarHBondContact O-CA 3.48Å; D14-V336 PolarHBondContact O-N 3.29Å
15	V	98.7	Very high	97.3	Very high	0 Å²	0	85.1 Å²	85.1	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.7	-178.9	-56.7	0	0	0	0	114.5	L10 K13 L199 K230 F333 I334 R335	L10-V15 HydrophobicContact CD1-CG1 3.96Å; K13-V15 VanDerWaalsContact C-N 3.26Å; K13-V15 PolarHBondContact O-N 2.91Å; V15-L199 HydrophobicContact CB-CD2 4.19Å; V15-L199 HydrophobicContact CG1-CD2 3.69Å; V15-L199 HydrophobicContact CG2-CD2 3.39Å; V15-K230 HydrophobicContact CG2-CD 4.15Å; V15-K230 HydrophobicContact CG2-CG 4.48Å; V15-K230 WeakPolarHBondContact O-CE 3.35Å; V15-K230 PolarHBondContact O-NZ 3.04Å; V15-F333 HydrophobicContact CB-CB 4.09Å; V15-F333 HydrophobicContact CB-CD1 3.88Å; V15-F333 HydrophobicContact CB-CG 4.23Å; V15-F333 HydrophobicContact CG1-CB 4.11Å; V15-F333 HydrophobicContact CG1-CG 4.44Å; V15-F333 HydrophobicContact CG2-CD1 3.48Å; V15-F333 VanDerWaalsContact CG2-CD1 3.48Å; V15-F333 HydrophobicContact CG2-CE1 3.86Å; V15-F333 HydrophobicContact CG2-CG 4.14Å; V15-I334 CarbonylContact C-O 3.44Å; V15-I334 WeakPolarHBondContact CA-O 3.4Å; V15-R335 HydrophobicContact CG1-CG 4.45Å
16	L	98.8	Very high	97.6	Very high	67 Å²	67	82.3 Å²	82.3	35%	0.351	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	158.4	163.1	-65.3	177.7	0	0	0	110.5	F333 I334 V336 Q339	L16-F333 CarbonylContact O-C 3.51Å; L16-F333 WeakPolarHBondContact O-CA 3.45Å; L16-I334 PolarHBondContact N-O 2.91Å; L16-I334 PolarHBondContact O-N 3.36Å; L16-V336 HydrophobicContact CB-CG1 4.33Å; L16-V336 HydrophobicContact CD1-CG1 3.81Å; L16-V336 HydrophobicContact CG-CG1 3.8Å; L16-V336 HydrophobicContact CG-CG2 4.37Å; L16-Q339 HydrophobicContact CD2-CG 4.19Å
17	L	98.8	Very high	97.8	Very high	34 Å²	34	82.6 Å²	82.6	18%	0.178	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.6	172.1	-62.4	93.7	0	0	0	109.9	K230 T315 V319 L327 T331 F333	L17-K230 HydrophobicContact CD1-CG 3.6Å; L17-T315 HydrophobicContact CD1-CG2 4.34Å; L17-T315 HydrophobicContact CD2-CG2 3.79Å; L17-V319 HydrophobicContact CB-CG1 4.38Å; L17-V319 HydrophobicContact CD2-CG1 4.42Å; L17-L327 HydrophobicContact CD2-CD1 4.37Å; L17-T331 HydrophobicContact CD2-CG2 3.99Å; L17-T331 HydrophobicContact CG-CG2 4.44Å; L17-F333 HydrophobicContact CG-CD1 4.41Å; L17-F333 HydrophobicContact CG-CE1 4.08Å
18	R	98.8	Very high	97.9	Very high	141 Å²	141	81.3 Å²	81.3	53%	0.532	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-70.3	123.1	174.4	-173.7	178	-178.1	-140.4	0.5	110.2	T332 I334	R18-T332 WeakPolarHBondContact CB-O 3.49Å; R18-T332 PolarHBondContact N-O 2.82Å; R18-I334 HydrophobicContact CB-CD1 3.7Å; R18-I334 HydrophobicContact CB-CG1 4Å; R18-I334 HydrophobicContact CG-CD1 3.97Å
19	P	98.6	Very high	98	Very high	80 Å²	80	80.2 Å²	80.2	52%	0.519	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-65.5	151.5	172.8	28.5	-34.2	0	0	0	110.8	Y318	P19-Y318 CarbonylContact C-O 3.36Å; P19-Y318 VanDerWaalsContact CA-O 3.27Å; P19-Y318 WeakPolarHBondContact CA-O 3.42Å; P19-Y318 HydrophobicContact CB-CD1 4.37Å
20	K	98.4	Very high	98.1	Very high	75 Å²	75	77.7 Å²	77.7	33%	0.326	38%	0.378	S	S	.	.			trans	-133.3	160.2	-179.4	-65.3	-176.9	178.4	176.3	0	109.6	S22 Y318 R330 T332	K20-S22 PolarHBondContact O-N 3.3Å; K20-Y318 PolarHBondContact N-O 2.6Å; K20-R330 WeakPolarHBondContact CD-O 3.39Å; K20-R330 WeakPolarHBondContact CE-O 3.43Å; K20-R330 PolarHBondContact NZ-O 2.75Å; K20-T332 WeakPolarHBondContact CE-OG1 3.41Å; K20-T332 PolarHBondContact NZ-OG1 2.99Å
21	R	98	Very high	98.1	Very high	218 Å²	218	78.8 Å²	78.8	82%	0.823	38%	0.384	S	S	*	.			trans	-55.1	126.6	173.6	-174.4	-178.2	-176.1	-80.7	0.1	109.2
22	S	97.6	Very high	98.1	Very high	41 Å²	41	77.2 Å²	77.2	29%	0.287	38%	0.376	S	S	.	.			trans	-123.1	147.3	-178.1	-178	0	0	0	0	110.3	K20 L24 T317 G320	K20-S22 PolarHBondContact O-N 3.3Å; S22-L24 PolarHBondContact OG-N 3.42Å; S22-T317 WeakPolarHBondContact CB-O 3.3Å; S22-T317 PolarHBondContact OG-O 3.46Å; S22-T317 VanDerWaalsContact OG-O 3.06Å; S22-G320 WeakPolarHBondContact OG-CA 3.33Å
23	T	97.3	Very high	98.1	Very high	118 Å²	118	79.2 Å²	79.2	72%	0.724	39%	0.386	S	S	*	.			trans	-101.8	-5.7	171.9	54.3	0	0	0	0	112.6
24	L	97.3	Very high	98.2	Very high	31 Å²	31	74.8 Å²	74.8	16%	0.162	37%	0.366	C	S	.	.			trans	-69.2	135.7	177.4	-66.9	157	0	0	0	109.5	S22 E29 V30 T317 A321 A322	S22-L24 PolarHBondContact OG-N 3.42Å; L24-E29 WeakPolarHBondContact CA-OE2 3.26Å; L24-E29 HydrophobicContact CD2-CB 3.85Å; L24-V30 HydrophobicContact CD1-CG2 4.23Å; L24-T317 HydrophobicContact CB-CG2 4.32Å; L24-T317 HydrophobicContact CD1-CG2 4.29Å; L24-A321 WeakPolarHBondContact CD1-O 3.35Å; L24-A322 HydrophobicContact CD2-CB 4.04Å
25	K	96.8	Very high	98.2	Very high	196 Å²	196	76.5 Å²	76.5	85%	0.852	38%	0.381	S	S	*	.			trans	-98.2	-25.9	179.1	-60	177.8	-178.2	176.4	0	112.1	E29	K25-E29 WeakPolarHBondContact CB-OE1 3.46Å; K25-E29 PolarHBondContact N-OE2 3.24Å
26	S	97.5	Very high	98.1	Very high	48 Å²	48	77.1 Å²	77.1	34%	0.336	38%	0.384	S	S	.	.			trans	-141	150	-177.7	179.3	0	0	0	0	112.1	S28 E29	S26-S28 WeakPolarHBondContact CB-OG 3.41Å; S26-S28 PolarHBondContact O-N 3.46Å; S26-S28 PolarHBondContact OG-N 3.39Å; S26-S28 VanDerWaalsContact OG-N 3.16Å; S26-S28 PolarHBondContact OG-OG 2.9Å; S26-E29 PolarHBondContact N-OE1 3.3Å; S26-E29 WeakPolarHBondContact O-CB 3.5Å; S26-E29 PolarHBondContact O-N 3.06Å
27	R	97.4	Very high	98.1	Very high	151 Å²	151	78.9 Å²	78.9	57%	0.57	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-60.7	-28.4	170.3	-72.5	169.1	-75.6	178.2	-3.3	112.2	E29 V30 R313 T317	R27-E29 PolarHBondContact O-N 2.87Å; R27-V30 WeakPolarHBondContact O-CB 3.44Å; R27-V30 PolarHBondContact O-N 3.33Å; R27-R313 HydrophobicContact CB-CB 4.15Å; R27-R313 WeakPolarHBondContact O-CD 3.11Å; R27-T317 HydrophobicContact CB-CG2 4.35Å; R27-T317 HydrophobicContact CG-CG2 3.82Å
28	S	97.7	Very high	98.1	Very high	97 Å²	97	77.3 Å²	77.3	68%	0.678	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-67.7	-16.4	178.4	60.8	0	0	0	0	113.8	S26 V30	S26-S28 WeakPolarHBondContact CB-OG 3.41Å; S26-S28 PolarHBondContact O-N 3.46Å; S26-S28 PolarHBondContact OG-N 3.39Å; S26-S28 VanDerWaalsContact OG-N 3.16Å; S26-S28 PolarHBondContact OG-OG 2.9Å; S28-V30 VanDerWaalsContact C-N 3.28Å
29	E	97.8	Very high	98.1	Very high	96 Å²	96	74.1 Å²	74.1	45%	0.449	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-79.8	-11.1	177.4	-64.5	166.6	-165.3	0	0	112.6	L24 K25 S26 R27	L24-E29 WeakPolarHBondContact CA-OE2 3.26Å; L24-E29 HydrophobicContact CD2-CB 3.85Å; K25-E29 WeakPolarHBondContact CB-OE1 3.46Å; K25-E29 PolarHBondContact N-OE2 3.24Å; S26-E29 PolarHBondContact N-OE1 3.3Å; S26-E29 WeakPolarHBondContact O-CB 3.5Å; S26-E29 PolarHBondContact O-N 3.06Å; R27-E29 PolarHBondContact O-N 2.87Å
30	V	98.7	Very high	98.1	Very high	8 Å²	8	72 Å²	72	5%	0.048	36%	0.361	C	S	.	.			trans	-81.4	122.6	-175.7	178.3	0	0	0	0	111	L24 R27 S28 L32 R313 C316 T317 A322	L24-V30 HydrophobicContact CD1-CG2 4.23Å; R27-V30 WeakPolarHBondContact O-CB 3.44Å; R27-V30 PolarHBondContact O-N 3.33Å; S28-V30 VanDerWaalsContact C-N 3.28Å; V30-L32 HydrophobicContact CG1-CD2 3.85Å; V30-R313 HydrophobicContact CB-CB 4.24Å; V30-R313 HydrophobicContact CB-CG 4.04Å; V30-R313 HydrophobicContact CG1-CG 4.19Å; V30-C316 HydrophobicContact CB-CB 4.39Å; V30-C316 HydrophobicContact CG1-CB 3.56Å; V30-C316 HydrophobicContact CG2-CB 3.9Å; V30-T317 HydrophobicContact CG2-CG2 3.82Å; V30-A322 WeakPolarHBondContact CA-O 3.29Å
31	D	98.7	Very high	98.1	Very high	52 Å²	52	69 Å²	69	28%	0.278	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-86.1	114.7	171.3	-177	8.8	0	0	0	110.6	L33 A322 K323 L324	D31-L33 VanDerWaalsContact OD1-CB 3.28Å; D31-L33 WeakPolarHBondContact OD1-CB 3.41Å; D31-L33 PolarHBondContact OD1-N 2.75Å; D31-A322 PolarHBondContact N-O 3.3Å; D31-K323 HydrophobicContact CB-CG 4.19Å; D31-K323 CarbonylContact O-C 3.47Å; D31-K323 VanDerWaalsContact O-CA 3.29Å; D31-K323 WeakPolarHBondContact O-CA 3.36Å; D31-L324 PolarHBondContact O-N 3.33Å
32	L	98.8	Very high	98.2	Very high	6 Å²	6	66 Å²	66	3%	0.031	34%	0.342	C	S	.	.			trans	-88.9	-7.5	177.3	-65.2	-171.6	0	0	0	113.6	V30 I48 L309 V312 R313 L324	V30-L32 HydrophobicContact CG1-CD2 3.85Å; L32-I48 HydrophobicContact CB-CD1 3.97Å; L32-I48 HydrophobicContact CB-CG1 4.07Å; L32-I48 HydrophobicContact CB-CG2 4.45Å; L32-I48 HydrophobicContact CD1-CD1 4.45Å; L32-L309 HydrophobicContact CD1-CB 3.96Å; L32-L309 HydrophobicContact CD1-CD2 3.79Å; L32-L309 HydrophobicContact CD1-CG 4.37Å; L32-V312 HydrophobicContact CD2-CB 4.42Å; L32-V312 HydrophobicContact CD2-CG1 3.71Å; L32-R313 HydrophobicContact CD1-CG 3.83Å; L32-R313 HydrophobicContact CD2-CG 4Å; L32-R313 HydrophobicContact CG-CG 3.89Å; L32-L324 HydrophobicContact CD2-CB 4.37Å; L32-L324 WeakPolarHBondContact O-CD2 3.49Å
33	L	98.6	Very high	98.1	Very high	47 Å²	47	65 Å²	65	25%	0.246	34%	0.339	C	S	.	.			trans	-70.3	137.6	-179.7	-63.3	168.4	0	0	0	110.5	D31 R46 G47 I48 T71	D31-L33 VanDerWaalsContact OD1-CB 3.28Å; D31-L33 WeakPolarHBondContact OD1-CB 3.41Å; D31-L33 PolarHBondContact OD1-N 2.75Å; L33-R46 VanDerWaalsContact CD1-NH2 3.29Å; L33-G47 WeakPolarHBondContact CA-O 3.19Å; L33-I48 HydrophobicContact CD2-CG1 3.93Å; L33-T71 HydrophobicContact CD2-CG2 4.11Å
34	R	98.6	Very high	98.1	Very high	29 Å²	29	63.8 Å²	63.8	11%	0.109	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	154.9	167.5	-67.2	-67	-68.1	-84.3	-0.7	109.5	F36 R46 G47 P49 D237 L324	R34-F36 HydrophobicContact CB-CD2 4.26Å; R34-F36 HydrophobicContact CB-CE2 3.62Å; R34-F36 HydrophobicContact CB-CZ 3.8Å; R34-F36 HydrophobicContact CG-CE2 4.27Å; R34-F36 HydrophobicContact CG-CZ 4.08Å; R34-F36 VanDerWaalsContact CZ-CZ 3.46Å; R34-R46 VanDerWaalsContact O-CA 3.3Å; R34-R46 WeakPolarHBondContact O-CA 3.19Å; R34-G47 PolarHBondContact N-O 3.46Å; R34-G47 PolarHBondContact O-N 2.89Å; R34-P49 HydrophobicContact CB-CG 4.32Å; R34-P49 HydrophobicContact CG-CG 3.78Å; R34-D237 IonicContact NH2-OD1 3.29Å; R34-L324 HydrophobicContact CG-CD2 4.12Å; R34-L324 HydrophobicContact CG-CG 4.42Å
35	S	98.5	Very high	98.2	Very high	71 Å²	71	63 Å²	63	50%	0.497	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.4	168.4	-67	0	0	0	0	108.5	Y45 R46	S35-Y45 VanDerWaalsContact CA-O 3.23Å; S35-Y45 WeakPolarHBondContact CA-O 3.1Å; S35-R46 PolarHBondContact OG-NH1 3.33Å
36	F	98.5	Very high	98.2	Very high	14 Å²	14	60.7 Å²	60.7	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.4	-177.6	-61.5	-62.3	0	0	0	110.2	R34 F38 S44 Y45 P49 H215 D237 F238	R34-F36 HydrophobicContact CB-CD2 4.26Å; R34-F36 HydrophobicContact CB-CE2 3.62Å; R34-F36 HydrophobicContact CB-CZ 3.8Å; R34-F36 HydrophobicContact CG-CE2 4.27Å; R34-F36 HydrophobicContact CG-CZ 4.08Å; R34-F36 VanDerWaalsContact CZ-CZ 3.46Å; F36-F38 HydrophobicContact CB-CE1 3.94Å; F36-F38 HydrophobicContact CB-CZ 4.16Å; F36-S44 VanDerWaalsContact O-CA 3.25Å; F36-S44 WeakPolarHBondContact O-CA 3.21Å; F36-Y45 AromaticContact CD2-CD1 3.54Å; F36-Y45 HydrophobicContact CD2-CD1 3.54Å; F36-Y45 HydrophobicContact CD2-CE1 4.12Å; F36-Y45 HydrophobicContact CD2-CG 4.39Å; F36-Y45 HydrophobicContact CE2-CD1 4.2Å; F36-Y45 HydrophobicContact CE2-CE1 4.33Å; F36-Y45 PolarHBondContact N-O 3.3Å; F36-Y45 PolarHBondContact O-N 2.97Å; F36-P49 HydrophobicContact CE2-CB 4.32Å; F36-H215 AromaticContact CD1-CD2 3.36Å; F36-H215 WeakPolarHBondContact CD1-CD2 3.33Å; F36-H215 AromaticContact CD1-NE2 3.18Å; F36-H215 WeakPolarHBondContact CD1-NE2 3.28Å; F36-H215 AromaticContact CE1-CD2 3.61Å; F36-H215 AromaticContact CE1-NE2 3.86Å; F36-H215 AromaticContact CG-CD2 3.83Å; F36-H215 AromaticContact CG-NE2 3.7Å; F36-D237 HydrophobicContact CE1-CB 4.11Å; F36-D237 WeakPolarHBondContact CE1-OD1 3.4Å; F36-D237 HydrophobicContact CE2-CB 4.27Å; F36-D237 HydrophobicContact CZ-CB 3.67Å; F36-F238 HydrophobicContact CD2-CE1 4.47Å; F36-F238 AromaticContact CD2-CE2 3.8Å; F36-F238 HydrophobicContact CD2-CE2 3.8Å; F36-F238 AromaticContact CD2-CZ 3.55Å; F36-F238 HydrophobicContact CD2-CZ 3.55Å; F36-F238 HydrophobicContact CE2-CD2 4.39Å; F36-F238 HydrophobicContact CE2-CE1 4.28Å; F36-F238 AromaticContact CE2-CE2 3.67Å; F36-F238 HydrophobicContact CE2-CE2 3.67Å; F36-F238 AromaticContact CE2-CZ 3.61Å; F36-F238 HydrophobicContact CE2-CZ 3.61Å; F36-F238 HydrophobicContact CZ-CE2 4.46Å
37	T	98.5	Very high	98.3	Very high	103 Å²	103	58.4 Å²	58.4	63%	0.632	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.6	164.9	-59.6	0	0	0	0	106.5	G43 H215	T37-G43 WeakPolarHBondContact CA-O 3.45Å; T37-H215 PolarHBondContact O-CE1 2.83Å
38	F	98.8	Very high	98.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	28%	0.277	C	S	.	.			trans	-85.4	143	-171.9	-61.3	-59.6	0	0	0	112	F36 N40 S41 K42 G43 Y45 Y125 T153 D174 I175 H215 F238	F36-F38 HydrophobicContact CB-CE1 3.94Å; F36-F38 HydrophobicContact CB-CZ 4.16Å; F38-N40 PolarHBondContact O-N 2.79Å; F38-S41 WeakPolarHBondContact CB-OG 3.48Å; F38-K42 VanDerWaalsContact O-CA 3.3Å; F38-K42 WeakPolarHBondContact O-CA 3.28Å; F38-K42 PolarHBondContact O-N 2.65Å; F38-G43 WeakPolarHBondContact CD2-O 3.17Å; F38-G43 PolarHBondContact N-O 3.37Å; F38-Y45 HydrophobicContact CZ-CG 4.32Å; F38-Y125 AromaticContact CE2-CE1 3.74Å; F38-Y125 HydrophobicContact CE2-CE1 3.74Å; F38-Y125 HydrophobicContact CZ-CE1 4.2Å; F38-T153 HydrophobicContact CB-CG2 4.26Å; F38-T153 HydrophobicContact CD1-CG2 4.09Å; F38-T153 HydrophobicContact CD2-CG2 3.41Å; F38-T153 VanDerWaalsContact CD2-CG2 3.41Å; F38-T153 VanDerWaalsContact CD2-OG1 3.28Å; F38-T153 WeakPolarHBondContact CD2-OG1 3.48Å; F38-T153 HydrophobicContact CE1-CG2 4.3Å; F38-T153 HydrophobicContact CE2-CG2 3.64Å; F38-T153 HydrophobicContact CG-CG2 3.65Å; F38-T153 HydrophobicContact CZ-CG2 4.08Å; F38-D174 HydrophobicContact CB-CB 3.96Å; F38-D174 HydrophobicContact CD1-CB 4.36Å; F38-D174 HydrophobicContact CG-CB 4.31Å; F38-I175 HydrophobicContact CD1-CD1 4.14Å; F38-I175 HydrophobicContact CD1-CG1 4Å; F38-I175 HydrophobicContact CE1-CD1 3.52Å; F38-I175 HydrophobicContact CE1-CG1 3.81Å; F38-I175 HydrophobicContact CZ-CD1 3.85Å; F38-H215 AromaticContact CD1-ND1 3.79Å; F38-F238 HydrophobicContact CE1-CE2 4.32Å; F38-F238 HydrophobicContact CE1-CZ 4.38Å; F38-F238 HydrophobicContact CZ-CZ 4.23Å
39	R	98.5	Very high	98.4	Very high	73 Å²	73	47.2 Å²	47.2	28%	0.275	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-50.8	-169.3	-174.5	-167.6	-177.4	-101.6	6.4	112.6	K42 L212	R39-K42 WeakPolarHBondContact O-CD 3.24Å; R39-K42 VanDerWaalsContact O-CE 3.27Å; R39-K42 WeakPolarHBondContact O-CE 3.45Å; R39-K42 PolarHBondContact O-NZ 2.91Å; R39-L212 WeakPolarHBondContact CD-O 3.33Å; R39-L212 PolarHBondContact NE-O 2.84Å
40	N	98.7	Very high	98.4	Very high	36 Å²	36	42.8 Å²	42.8	19%	0.193	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-47.1	-166.4	-66	-32.9	0	0	0	110.7	F38 K42 I169 G172 A173 D174	F38-N40 PolarHBondContact O-N 2.79Å; N40-K42 VanDerWaalsContact C-N 3.26Å; N40-K42 PolarHBondContact O-N 2.84Å; N40-I169 PolarHBondContact ND2-O 3.04Å; N40-G172 PolarHBondContact ND2-O 2.8Å; N40-A173 PolarHBondContact ND2-O 3.16Å; N40-D174 WeakPolarHBondContact CA-OD1 3.37Å; N40-D174 VanDerWaalsContact CB-OD1 3.31Å; N40-D174 WeakPolarHBondContact CB-OD1 3.44Å; N40-D174 PolarHBondContact N-OD1 3.49Å
41	S	98.6	Very high	98.5	Very high	11 Å²	11	42.4 Å²	42.4	8%	0.077	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-22.9	178.4	74.6	0	0	0	0	113.7	F38 G43 H152 T153 D174	F38-S41 WeakPolarHBondContact CB-OG 3.48Å; S41-G43 PolarHBondContact O-N 3.43Å; S41-G43 PolarHBondContact OG-N 2.95Å; S41-H152 WeakPolarHBondContact CB-O 3.34Å; S41-T153 PolarHBondContact OG-OG1 3.28Å; S41-D174 WeakPolarHBondContact CB-OD2 3.43Å; S41-D174 PolarHBondContact N-OD1 3.19Å
42	K	98.4	Very high	98.5	Very high	155 Å²	155	39.9 Å²	39.9	67%	0.674	21%	0.208	S	C	*	.			trans	59.4	8.4	-167.7	-46.3	-56.2	-179.4	-174.7	0	113.7	F38 R39 N40	F38-K42 VanDerWaalsContact O-CA 3.3Å; F38-K42 WeakPolarHBondContact O-CA 3.28Å; F38-K42 PolarHBondContact O-N 2.65Å; R39-K42 WeakPolarHBondContact O-CD 3.24Å; R39-K42 VanDerWaalsContact O-CE 3.27Å; R39-K42 WeakPolarHBondContact O-CE 3.45Å; R39-K42 PolarHBondContact O-NZ 2.91Å; N40-K42 VanDerWaalsContact C-N 3.26Å; N40-K42 PolarHBondContact O-N 2.84Å
43	G	97.1	Very high	98.5	Very high	22 Å²	22	39.8 Å²	39.8	23%	0.227	21%	0.208	C	C	.	.			trans	-65.3	162.4	175.5	0	0	0	0	0	111.6	T37 F38 S41	T37-G43 WeakPolarHBondContact CA-O 3.45Å; F38-G43 WeakPolarHBondContact CD2-O 3.17Å; F38-G43 PolarHBondContact N-O 3.37Å; S41-G43 PolarHBondContact O-N 3.43Å; S41-G43 PolarHBondContact OG-N 2.95Å
44	S	97.1	Very high	98.5	Very high	92 Å²	92	38.4 Å²	38.4	64%	0.643	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122	147.4	174.7	66.5	0	0	0	0	110.9	F36 Y125	F36-S44 VanDerWaalsContact O-CA 3.25Å; F36-S44 WeakPolarHBondContact O-CA 3.21Å; S44-Y125 PolarHBondContact O-OH 2.85Å
45	Y	98.4	Very high	98.5	Very high	13 Å²	13	38.3 Å²	38.3	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142	175.8	167.4	-91.1	0	0	0	109.5	S35 F36 F38 G47 I48 P49 F73 F238	S35-Y45 VanDerWaalsContact CA-O 3.23Å; S35-Y45 WeakPolarHBondContact CA-O 3.1Å; F36-Y45 AromaticContact CD2-CD1 3.54Å; F36-Y45 HydrophobicContact CD2-CD1 3.54Å; F36-Y45 HydrophobicContact CD2-CE1 4.12Å; F36-Y45 HydrophobicContact CD2-CG 4.39Å; F36-Y45 HydrophobicContact CE2-CD1 4.2Å; F36-Y45 HydrophobicContact CE2-CE1 4.33Å; F36-Y45 PolarHBondContact N-O 3.3Å; F36-Y45 PolarHBondContact O-N 2.97Å; F38-Y45 HydrophobicContact CZ-CG 4.32Å; Y45-G47 VanDerWaalsContact OH-CA 3.31Å; Y45-G47 WeakPolarHBondContact OH-CA 3.38Å; Y45-I48 PolarHBondContact OH-N 2.89Å; Y45-I48 PolarHBondContact OH-O 2.95Å; Y45-I48 VanDerWaalsContact OH-O 3.04Å; Y45-P49 HydrophobicContact CE1-CB 4.4Å; Y45-P49 WeakPolarHBondContact OH-CA 3.45Å; Y45-F73 AromaticContact CE2-CD2 3.94Å; Y45-F73 HydrophobicContact CE2-CD2 3.94Å; Y45-F238 HydrophobicContact CD1-CE1 4.2Å; Y45-F238 HydrophobicContact CD1-CZ 4.06Å; Y45-F238 HydrophobicContact CD2-CE1 4.45Å; Y45-F238 AromaticContact CE1-CE1 3.8Å; Y45-F238 HydrophobicContact CE1-CE1 3.8Å; Y45-F238 HydrophobicContact CE1-CZ 4.1Å; Y45-F238 HydrophobicContact CE2-CE1 4.11Å; Y45-F238 HydrophobicContact CG-CE1 4.48Å; Y45-F238 HydrophobicContact CG-CZ 4.28Å; Y45-F238 AromaticContact CZ-CE1 3.75Å
46	R	98	Very high	98.4	Very high	148 Å²	148	35.3 Å²	35.3	56%	0.558	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	119.2	164.8	-179.2	167.7	177.5	66.8	4	109.9	L33 R34 S35	L33-R46 VanDerWaalsContact CD1-NH2 3.29Å; R34-R46 VanDerWaalsContact O-CA 3.3Å; R34-R46 WeakPolarHBondContact O-CA 3.19Å; S35-R46 PolarHBondContact OG-NH1 3.33Å
47	G	98.5	Very high	98.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	-178.2	-179.1	0	0	0	0	0	112.6	L33 R34 Y45	L33-G47 WeakPolarHBondContact CA-O 3.19Å; R34-G47 PolarHBondContact N-O 3.46Å; R34-G47 PolarHBondContact O-N 2.89Å; Y45-G47 VanDerWaalsContact OH-CA 3.31Å; Y45-G47 WeakPolarHBondContact OH-CA 3.38Å
48	I	98.8	Very high	98.4	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.062	15%	0.148	C	C	.	.			trans	-85	116.9	170.2	-59.7	-175.6	0	0	0	107.2	L32 L33 Y45 I50 F70 T71 L72 L309	L32-I48 HydrophobicContact CB-CD1 3.97Å; L32-I48 HydrophobicContact CB-CG1 4.07Å; L32-I48 HydrophobicContact CB-CG2 4.45Å; L32-I48 HydrophobicContact CD1-CD1 4.45Å; L33-I48 HydrophobicContact CD2-CG1 3.93Å; Y45-I48 PolarHBondContact OH-N 2.89Å; Y45-I48 PolarHBondContact OH-O 2.95Å; Y45-I48 VanDerWaalsContact OH-O 3.04Å; I48-I50 HydrophobicContact CG2-CD1 4.17Å; I48-I50 HydrophobicContact CG2-CG1 4.3Å; I48-I50 PolarHBondContact O-N 2.77Å; I48-F70 WeakPolarHBondContact CD1-O 3.46Å; I48-T71 PolarHBondContact N-O 3.31Å; I48-L72 HydrophobicContact CB-CD1 3.78Å; I48-L72 HydrophobicContact CB-CG 4.34Å; I48-L72 HydrophobicContact CD1-CD1 4.1Å; I48-L72 HydrophobicContact CG1-CD1 4.43Å; I48-L72 HydrophobicContact CG2-CD1 3.91Å; I48-L72 HydrophobicContact CG2-CG 4.35Å; I48-L309 HydrophobicContact CD1-CD1 3.98Å; I48-L309 HydrophobicContact CD1-CD2 4.18Å; I48-L309 HydrophobicContact CG2-CD2 3.79Å
49	P	98.7	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.			trans	-82.2	53	-167	38.4	-42.9	0	0	0	112.6	R34 F36 Y45 F232 D237 F238 V239 L324	R34-P49 HydrophobicContact CB-CG 4.32Å; R34-P49 HydrophobicContact CG-CG 3.78Å; F36-P49 HydrophobicContact CE2-CB 4.32Å; Y45-P49 HydrophobicContact CE1-CB 4.4Å; Y45-P49 WeakPolarHBondContact OH-CA 3.45Å; P49-F232 HydrophobicContact CB-CE1 4.46Å; P49-F232 HydrophobicContact CG-CE1 3.68Å; P49-F232 HydrophobicContact CG-CZ 3.88Å; P49-F232 WeakPolarHBondContact O-CZ 3.26Å; P49-D237 WeakPolarHBondContact CB-O 3.36Å; P49-D237 VanDerWaalsContact CG-O 3.26Å; P49-D237 WeakPolarHBondContact CG-O 3.35Å; P49-F238 HydrophobicContact CB-CB 4.33Å; P49-F238 HydrophobicContact CB-CD1 3.28Å; P49-F238 HydrophobicContact CB-CE1 3.64Å; P49-F238 HydrophobicContact CB-CG 3.84Å; P49-F238 HydrophobicContact CB-CZ 4.44Å; P49-F238 CarbonylContact O-C 3.52Å; P49-F238 WeakPolarHBondContact O-CA 3.3Å; P49-V239 PolarHBondContact O-N 2.83Å; P49-L324 HydrophobicContact CG-CD2 3.85Å
50	I	98.9	Very high	98.4	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.3	170.3	-64.9	169.6	0	0	0	107.1	I48 L72 F73 V228 F232 V239 L241 V308 L309	I48-I50 HydrophobicContact CG2-CD1 4.17Å; I48-I50 HydrophobicContact CG2-CG1 4.3Å; I48-I50 PolarHBondContact O-N 2.77Å; I50-L72 HydrophobicContact CB-CD2 3.8Å; I50-L72 HydrophobicContact CB-CG 4.07Å; I50-L72 HydrophobicContact CG2-CD2 3.82Å; I50-F73 PolarHBondContact O-N 2.94Å; I50-V228 HydrophobicContact CD1-CG1 4.2Å; I50-V228 HydrophobicContact CG1-CG1 4.45Å; I50-F232 HydrophobicContact CD1-CE2 4.41Å; I50-F232 HydrophobicContact CG1-CE2 4.1Å; I50-F232 HydrophobicContact CG1-CZ 3.89Å; I50-V239 CarbonylContact C-O 3.5Å; I50-V239 WeakPolarHBondContact CA-O 3.45Å; I50-L241 HydrophobicContact CG2-CD1 3.67Å; I50-L241 HydrophobicContact CG2-CG 4.13Å; I50-V308 HydrophobicContact CD1-CG1 3.88Å; I50-L309 HydrophobicContact CD1-CD2 3.77Å
51	I	98.9	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.8	-171.8	-50.9	178.8	0	0	0	109.8	F73 A75 M155 I217 F238 V239 M240 L241	I51-F73 CarbonylContact C-O 3.53Å; I51-F73 VanDerWaalsContact CA-O 3.27Å; I51-F73 WeakPolarHBondContact CA-O 3.36Å; I51-F73 HydrophobicContact CG1-CB 4.13Å; I51-F73 HydrophobicContact CG1-CD1 4.35Å; I51-F73 HydrophobicContact CG2-CD1 4.01Å; I51-A75 HydrophobicContact CG2-CB 4.05Å; I51-M155 HydrophobicContact CD1-CE 4.32Å; I51-M155 HydrophobicContact CD1-SD 4.39Å; I51-I217 HydrophobicContact CD1-CD1 3.81Å; I51-I217 HydrophobicContact CD1-CG1 3.78Å; I51-I217 HydrophobicContact CD1-CG2 4.32Å; I51-F238 HydrophobicContact CD1-CB 3.8Å; I51-F238 HydrophobicContact CD1-CD1 3.84Å; I51-F238 HydrophobicContact CD1-CG 4.01Å; I51-F238 HydrophobicContact CG1-CB 4.26Å; I51-F238 HydrophobicContact CG1-CD1 4.06Å; I51-V239 PolarHBondContact N-O 2.79Å; I51-M240 HydrophobicContact CB-CB 4.24Å; I51-M240 HydrophobicContact CB-CE 4.25Å; I51-M240 HydrophobicContact CG2-CE 3.61Å; I51-M240 CarbonylContact O-C 3.59Å; I51-M240 VanDerWaalsContact O-CA 3.28Å; I51-M240 WeakPolarHBondContact O-CA 3.48Å; I51-L241 PolarHBondContact O-N 3.41Å
52	A	98.9	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.3	163	0	0	0	0	0	110.3	V58 M63 L67 F73 T74 A75 L245	A52-V58 HydrophobicContact CB-CG1 4.14Å; A52-M63 HydrophobicContact CB-CG 3.86Å; A52-L67 HydrophobicContact CB-CD2 3.6Å; A52-F73 PolarHBondContact N-O 3.32Å; A52-T74 HydrophobicContact CB-CG2 3.95Å; A52-A75 PolarHBondContact O-N 3.44Å; A52-L245 HydrophobicContact CB-CD1 3.74Å
53	A	98.9	Very high	98.4	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.033	12%	0.115	C	C	.	.			trans	-65.5	145.8	-176.8	0	0	0	0	0	112.3	M55 G59 M240 L241	A53-M55 HydrophobicContact CB-CG 4.14Å; A53-M55 HydrophobicContact CB-SD 4.43Å; A53-M55 PolarHBondContact O-N 3.39Å; A53-G59 VanDerWaalsContact O-CA 3.29Å; A53-G59 WeakPolarHBondContact O-CA 3.48Å; A53-G59 PolarHBondContact O-N 3.09Å; A53-M240 HydrophobicContact CB-CG 3.67Å; A53-M240 HydrophobicContact CB-SD 3.97Å; A53-L241 WeakPolarHBondContact CB-O 3.48Å; A53-L241 PolarHBondContact N-O 2.92Å
54	N	98.7	Very high	98.5	Very high	18 Å²	18	21.1 Å²	21.1	10%	0.096	11%	0.105	C	C	.	.	S	Bend	trans	-72.5	35.2	-179.2	61.5	-55.5	0	0	0	115	A75 H77 S102 D129	N54-A75 WeakPolarHBondContact CA-O 3.37Å; N54-A75 HydrophobicContact CB-CB 3.87Å; N54-A75 PolarHBondContact N-O 2.95Å; N54-H77 WeakPolarHBondContact O-CB 3.38Å; N54-S102 WeakPolarHBondContact CB-OG 3.41Å; N54-D129 WeakPolarHBondContact ND2-CB 3.49Å; N54-D129 PolarHBondContact ND2-OD2 2.89Å
55	M	98.3	Very high	98.6	Very high	26 Å²	26	19.9 Å²	19.9	13%	0.128	9%	0.089	C	C	.	.			trans	-86.5	144.4	173.2	-53.9	179.5	66.7	0	0	109.6	A53 T57 V58 G59 V185 F266 Y267 M269	A53-M55 HydrophobicContact CB-CG 4.14Å; A53-M55 HydrophobicContact CB-SD 4.43Å; A53-M55 PolarHBondContact O-N 3.39Å; M55-T57 PolarHBondContact O-N 2.83Å; M55-V58 HydrophobicContact CB-CB 4.22Å; M55-V58 HydrophobicContact CB-CG2 4.27Å; M55-V58 PolarHBondContact O-N 3.33Å; M55-V58 HydrophobicContact SD-CG2 4.48Å; M55-G59 PolarHBondContact O-N 3.33Å; M55-V185 HydrophobicContact CE-CG2 3.91Å; M55-F266 HydrophobicContact CE-CD2 4.33Å; M55-F266 HydrophobicContact CE-CE2 3.37Å; M55-F266 HydrophobicContact CE-CZ 3.68Å; M55-F266 HydrophobicContact SD-CE2 3.71Å; M55-F266 HydrophobicContact SD-CZ 3.85Å; M55-Y267 WeakPolarHBondContact CE-O 3.28Å; M55-M269 HydrophobicContact CB-CG 4.35Å; M55-M269 HydrophobicContact CB-SD 4.07Å; M55-M269 HydrophobicContact CG-CG 4.22Å
56	D	97	Very high	98.6	Very high	9 Å²	9	20.1 Å²	20.1	5%	0.048	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.2	178.7	68	-10.6	0	0	0	114.4	H77 Y267 M269 R277 H278	D56-H77 HydrophobicContact CB-CB 4.38Å; D56-Y267 WeakPolarHBondContact OD1-CE2 3.38Å; D56-Y267 PolarHBondContact OD1-OH 2.99Å; D56-Y267 WeakPolarHBondContact OD2-CE2 3.48Å; D56-Y267 PolarHBondContact OD2-OH 3.31Å; D56-M269 HydrophobicContact CB-CE 4.19Å; D56-M269 HydrophobicContact CB-SD 4.49Å; D56-R277 IonicContact OD2-NH1 3.92Å; D56-H278 IonicContact OD2-CD2 3.69Å; D56-H278 IonicContact OD2-CE1 2.8Å; D56-H278 IonicContact OD2-NE2 3.46Å; D56-H278 PolarHBondContact OD2-NE2 3.09Å
57	T	98.1	Very high	98.6	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-1.6	175.2	44.5	0	0	0	0	113.3	M55 S251 G252 F266 Y267	M55-T57 PolarHBondContact O-N 2.83Å; T57-S251 VanDerWaalsContact O-CB 3.29Å; T57-S251 WeakPolarHBondContact O-CB 3.34Å; T57-G252 PolarHBondContact O-N 3.45Å; T57-G252 VanDerWaalsContact O-N 3.08Å; T57-F266 WeakPolarHBondContact OG1-CD2 3.36Å; T57-Y267 HydrophobicContact CG2-CD1 4.22Å; T57-Y267 HydrophobicContact CG2-CE1 3.71Å; T57-Y267 HydrophobicContact CG2-CE2 4.44Å
58	V	98.8	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134	-57.7	-174.9	-179.3	0	0	0	0	112.1	A52 M55 T60 M63 L245 A246 F266	A52-V58 HydrophobicContact CB-CG1 4.14Å; M55-V58 HydrophobicContact CB-CB 4.22Å; M55-V58 HydrophobicContact CB-CG2 4.27Å; M55-V58 PolarHBondContact O-N 3.33Å; M55-V58 HydrophobicContact SD-CG2 4.48Å; V58-T60 PolarHBondContact O-N 2.82Å; V58-M63 WeakPolarHBondContact O-CB 3.44Å; V58-M63 VanDerWaalsContact O-CG 3.29Å; V58-M63 WeakPolarHBondContact O-CG 3.48Å; V58-L245 HydrophobicContact CG1-CB 3.88Å; V58-L245 HydrophobicContact CG1-CD1 4.4Å; V58-A246 HydrophobicContact CG2-CB 4.24Å; V58-F266 HydrophobicContact CG2-CD2 4.46Å; V58-F266 HydrophobicContact CG2-CE2 3.86Å
59	G	98.7	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-80.2	57.5	-176.3	0	0	0	0	0	112.5	A53 M55 I76 H77	A53-G59 VanDerWaalsContact O-CA 3.29Å; A53-G59 WeakPolarHBondContact O-CA 3.48Å; A53-G59 PolarHBondContact O-N 3.09Å; M55-G59 PolarHBondContact O-N 3.33Å; G59-I76 CarbonylContact O-C 3.56Å; G59-I76 VanDerWaalsContact O-CA 3.32Å; G59-I76 WeakPolarHBondContact O-CA 3.45Å; G59-H77 PolarHBondContact O-CD2 2.98Å; G59-H77 PolarHBondContact O-N 2.95Å
60	T	98.9	Very high	98.5	Very high	4 Å²	4	24 Å²	24	3%	0.025	12%	0.117	C	C	.	.			trans	-90.2	165.4	178.7	60.5	0	0	0	0	111.1	V58 E62 M63 A64 I76 E250	V58-T60 PolarHBondContact O-N 2.82Å; T60-E62 VanDerWaalsContact C-N 3.3Å; T60-E62 WeakPolarHBondContact CB-OE2 3.46Å; T60-E62 PolarHBondContact O-N 3.31Å; T60-M63 PolarHBondContact O-N 2.87Å; T60-M63 VanDerWaalsContact OG1-CB 3.3Å; T60-M63 WeakPolarHBondContact OG1-CB 3.49Å; T60-M63 PolarHBondContact OG1-N 3.05Å; T60-M63 VanDerWaalsContact OG1-N 3.11Å; T60-A64 PolarHBondContact O-N 3.4Å; T60-I76 WeakPolarHBondContact O-CD1 3.29Å; T60-E250 PolarHBondContact OG1-O 2.87Å
61	F	98.8	Very high	98.5	Very high	14 Å²	14	26.9 Å²	26.9	6%	0.061	14%	0.135	C	C	.	.	H	α-helix	trans	-66.8	-32.4	174.3	-69.8	-45.2	0	0	0	112.7	A64 Q65 I76 Y80 D84 W85 F88	F61-A64 PolarHBondContact O-N 3.08Å; F61-Q65 WeakPolarHBondContact O-CG 3.49Å; F61-Q65 PolarHBondContact O-N 2.82Å; F61-Q65 VanDerWaalsContact O-N 3.1Å; F61-Q65 PolarHBondContact O-NE2 3.46Å; F61-I76 HydrophobicContact CD1-CD1 3.76Å; F61-I76 HydrophobicContact CD1-CG1 4.35Å; F61-I76 HydrophobicContact CD1-CG2 4.34Å; F61-I76 HydrophobicContact CE1-CD1 4.14Å; F61-I76 HydrophobicContact CE1-CG1 4.24Å; F61-I76 HydrophobicContact CE1-CG2 3.87Å; F61-I76 HydrophobicContact CZ-CG2 4.35Å; F61-Y80 HydrophobicContact CD1-CE2 4.32Å; F61-Y80 HydrophobicContact CD2-CD1 4.12Å; F61-Y80 AromaticContact CD2-CD2 3.79Å; F61-Y80 HydrophobicContact CD2-CD2 3.79Å; F61-Y80 AromaticContact CD2-CE1 3.8Å; F61-Y80 HydrophobicContact CD2-CE1 3.8Å; F61-Y80 AromaticContact CD2-CE2 3.43Å; F61-Y80 HydrophobicContact CD2-CE2 3.43Å; F61-Y80 VanDerWaalsContact CD2-CE2 3.43Å; F61-Y80 HydrophobicContact CD2-CG 4.11Å; F61-Y80 AromaticContact CD2-CZ 3.44Å; F61-Y80 VanDerWaalsContact CD2-CZ 3.44Å; F61-Y80 HydrophobicContact CE1-CD2 4.16Å; F61-Y80 HydrophobicContact CE1-CE2 4.36Å; F61-Y80 AromaticContact CE2-CD1 3.65Å; F61-Y80 HydrophobicContact CE2-CD1 3.65Å; F61-Y80 AromaticContact CE2-CD2 3.29Å; F61-Y80 HydrophobicContact CE2-CD2 3.29Å; F61-Y80 AromaticContact CE2-CE1 3.83Å; F61-Y80 HydrophobicContact CE2-CE1 3.83Å; F61-Y80 AromaticContact CE2-CE2 3.49Å; F61-Y80 HydrophobicContact CE2-CE2 3.49Å; F61-Y80 VanDerWaalsContact CE2-CE2 3.49Å; F61-Y80 AromaticContact CE2-CG 3.37Å; F61-Y80 HydrophobicContact CE2-CG 3.37Å; F61-Y80 AromaticContact CE2-CZ 3.76Å; F61-Y80 HydrophobicContact CG-CD2 4.39Å; F61-Y80 AromaticContact CG-CE2 3.87Å; F61-Y80 HydrophobicContact CG-CE2 3.87Å; F61-Y80 AromaticContact CZ-CD2 3.5Å; F61-Y80 HydrophobicContact CZ-CD2 3.5Å; F61-Y80 AromaticContact CZ-CE2 3.97Å; F61-Y80 HydrophobicContact CZ-CE2 3.97Å; F61-Y80 AromaticContact CZ-CG 3.8Å; F61-Y80 HydrophobicContact CZ-CG 3.8Å; F61-D84 HydrophobicContact CE2-CB 4.01Å; F61-W85 AromaticContact CE1-CD2 3.99Å; F61-W85 HydrophobicContact CE1-CD2 3.99Å; F61-W85 AromaticContact CE1-CE3 3.86Å; F61-W85 HydrophobicContact CE1-CE3 3.86Å; F61-W85 HydrophobicContact CE1-CH2 4.15Å; F61-W85 HydrophobicContact CE1-CZ2 4.25Å; F61-W85 AromaticContact CE1-CZ3 3.93Å; F61-W85 HydrophobicContact CE1-CZ3 3.93Å; F61-W85 AromaticContact CZ-CD2 3.8Å; F61-W85 HydrophobicContact CZ-CD2 3.8Å; F61-W85 AromaticContact CZ-CE2 4Å; F61-W85 HydrophobicContact CZ-CE3 4.1Å; F61-W85 HydrophobicContact CZ-CG 4.06Å; F61-F88 HydrophobicContact CB-CD2 3.58Å; F61-F88 HydrophobicContact CB-CE2 3.73Å; F61-F88 HydrophobicContact CB-CG 4.28Å; F61-F88 HydrophobicContact CD1-CB 3.99Å; F61-F88 AromaticContact CD1-CD1 3.56Å; F61-F88 HydrophobicContact CD1-CD1 3.56Å; F61-F88 AromaticContact CD1-CD2 3.55Å; F61-F88 HydrophobicContact CD1-CD2 3.55Å; F61-F88 AromaticContact CD1-CE1 3.85Å; F61-F88 HydrophobicContact CD1-CE1 3.85Å; F61-F88 AromaticContact CD1-CE2 3.83Å; F61-F88 HydrophobicContact CD1-CE2 3.83Å; F61-F88 AromaticContact CD1-CG 3.39Å; F61-F88 HydrophobicContact CD1-CG 3.39Å; F61-F88 AromaticContact CD1-CZ 3.97Å; F61-F88 HydrophobicContact CD1-CZ 3.97Å; F61-F88 HydrophobicContact CD2-CB 4.14Å; F61-F88 HydrophobicContact CD2-CD2 4.32Å; F61-F88 HydrophobicContact CD2-CG 4.29Å; F61-F88 HydrophobicContact CE1-CB 3.95Å; F61-F88 AromaticContact CE1-CD1 3.63Å; F61-F88 HydrophobicContact CE1-CD1 3.63Å; F61-F88 HydrophobicContact CE1-CD2 4.31Å; F61-F88 HydrophobicContact CE1-CE1 4.19Å; F61-F88 AromaticContact CE1-CG 3.68Å; F61-F88 HydrophobicContact CE1-CG 3.68Å; F61-F88 HydrophobicContact CE2-CB 4.08Å; F61-F88 HydrophobicContact CG-CB 4.11Å; F61-F88 HydrophobicContact CG-CD1 4.38Å; F61-F88 AromaticContact CG-CD2 3.57Å; F61-F88 HydrophobicContact CG-CD2 3.57Å; F61-F88 HydrophobicContact CG-CE2 4.04Å; F61-F88 AromaticContact CG-CG 3.75Å; F61-F88 HydrophobicContact CG-CG 3.75Å; F61-F88 HydrophobicContact CZ-CB 3.99Å; F61-F88 HydrophobicContact CZ-CD1 4.47Å; F61-F88 HydrophobicContact CZ-CG 4.25Å
62	E	98.8	Very high	98.5	Very high	97 Å²	97	27 Å²	27	45%	0.453	14%	0.136	S	C	.	.	H	α-helix	trans	-66.4	-41	175.2	-61.3	76.4	-169.2	0	0	110.9	T60 A64 Q65 A66 E250	T60-E62 VanDerWaalsContact C-N 3.3Å; T60-E62 WeakPolarHBondContact CB-OE2 3.46Å; T60-E62 PolarHBondContact O-N 3.31Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 2.94Å; E62-Q65 PolarHBondContact O-N 2.83Å; E62-A66 PolarHBondContact O-N 3.3Å; E62-A66 VanDerWaalsContact O-N 3.14Å; E62-E250 HydrophobicContact CB-CB 4.08Å
63	M	98.9	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-40.9	173.9	-173.8	66.4	62.7	0	0	111	A52 V58 T60 Q65 A66 L67 L245 E250 V301	A52-M63 HydrophobicContact CB-CG 3.86Å; V58-M63 WeakPolarHBondContact O-CB 3.44Å; V58-M63 VanDerWaalsContact O-CG 3.29Å; V58-M63 WeakPolarHBondContact O-CG 3.48Å; T60-M63 PolarHBondContact O-N 2.87Å; T60-M63 VanDerWaalsContact OG1-CB 3.3Å; T60-M63 WeakPolarHBondContact OG1-CB 3.49Å; T60-M63 PolarHBondContact OG1-N 3.05Å; T60-M63 VanDerWaalsContact OG1-N 3.11Å; M63-Q65 PolarHBondContact O-N 2.73Å; M63-A66 PolarHBondContact O-N 3.2Å; M63-L67 HydrophobicContact CG-CD1 3.98Å; M63-L67 HydrophobicContact CG-CD2 4.28Å; M63-L67 WeakPolarHBondContact O-CB 3.48Å; M63-L67 WeakPolarHBondContact O-CD1 3.32Å; M63-L67 PolarHBondContact O-N 3.28Å; M63-L67 HydrophobicContact SD-CD1 3.41Å; M63-L67 WeakPolarHBondContact SD-CD1 3.49Å; M63-L245 HydrophobicContact CE-CB 4.31Å; M63-E250 HydrophobicContact CE-CB 4.12Å; M63-V301 HydrophobicContact CE-CB 4.44Å; M63-V301 HydrophobicContact CE-CG2 4.12Å; M63-V301 HydrophobicContact SD-CB 4.26Å; M63-V301 HydrophobicContact SD-CG1 4.03Å; M63-V301 HydrophobicContact SD-CG2 3.82Å
64	A	98.8	Very high	98.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-43.3	178	0	0	0	0	0	112.8	T60 F61 E62 L67 H68 T74 I76 F88 V99	T60-A64 PolarHBondContact O-N 3.4Å; F61-A64 PolarHBondContact O-N 3.08Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 2.94Å; A64-L67 PolarHBondContact O-N 3.05Å; A64-H68 VanDerWaalsContact O-CB 3.28Å; A64-H68 WeakPolarHBondContact O-CB 3.28Å; A64-H68 PolarHBondContact O-N 3.11Å; A64-T74 WeakPolarHBondContact CA-OG1 3.43Å; A64-T74 HydrophobicContact CB-CG2 4.05Å; A64-I76 HydrophobicContact CB-CD1 3.89Å; A64-F88 HydrophobicContact CB-CZ 4.15Å; A64-V99 HydrophobicContact CB-CG1 3.79Å
65	Q	98.6	Very high	98.5	Very high	66 Å²	66	26 Å²	26	31%	0.308	13%	0.13	S	C	.	.	H	α-helix	trans	-59.6	-50.9	174.7	-70.8	168.3	65.3	0	0	111.3	F61 E62 M63 L67 H68 F88 H92	F61-Q65 WeakPolarHBondContact O-CG 3.49Å; F61-Q65 PolarHBondContact O-N 2.82Å; F61-Q65 VanDerWaalsContact O-N 3.1Å; F61-Q65 PolarHBondContact O-NE2 3.46Å; E62-Q65 PolarHBondContact O-N 2.83Å; M63-Q65 PolarHBondContact O-N 2.73Å; Q65-L67 VanDerWaalsContact C-N 3.34Å; Q65-L67 PolarHBondContact O-N 2.96Å; Q65-H68 PolarHBondContact O-N 2.68Å; Q65-F88 HydrophobicContact CG-CE2 4.12Å; Q65-H92 VanDerWaalsContact CD-CE1 3.49Å; Q65-H92 PolarHBondContact OE1-CE1 3.46Å; Q65-H92 PolarHBondContact OE1-NE2 3.25Å
66	A	98.6	Very high	98.5	Very high	19 Å²	19	24.8 Å²	24.8	16%	0.157	12%	0.124	C	C	.	.	H	α-helix	trans	-63.8	-37.6	-178.6	0	0	0	0	0	112.9	E62 M63 F70 E250 V301	E62-A66 PolarHBondContact O-N 3.3Å; E62-A66 VanDerWaalsContact O-N 3.14Å; M63-A66 PolarHBondContact O-N 3.2Å; A66-F70 WeakPolarHBondContact O-CD2 3.44Å; A66-E250 HydrophobicContact CB-CG 3.96Å; A66-V301 HydrophobicContact CB-CG1 3.57Å
67	L	98.7	Very high	98.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-74.9	-31.9	177.9	-93.6	57.8	0	0	0	112.8	A52 M63 A64 Q65 E69 F70 T71 L72 L245 V301 I305	A52-L67 HydrophobicContact CB-CD2 3.6Å; M63-L67 HydrophobicContact CG-CD1 3.98Å; M63-L67 HydrophobicContact CG-CD2 4.28Å; M63-L67 WeakPolarHBondContact O-CB 3.48Å; M63-L67 WeakPolarHBondContact O-CD1 3.32Å; M63-L67 PolarHBondContact O-N 3.28Å; M63-L67 HydrophobicContact SD-CD1 3.41Å; M63-L67 WeakPolarHBondContact SD-CD1 3.49Å; A64-L67 PolarHBondContact O-N 3.05Å; Q65-L67 VanDerWaalsContact C-N 3.34Å; Q65-L67 PolarHBondContact O-N 2.96Å; L67-E69 PolarHBondContact O-N 3.25Å; L67-F70 PolarHBondContact O-N 3.24Å; L67-T71 PolarHBondContact O-N 3.38Å; L67-L72 HydrophobicContact CB-CB 3.77Å; L67-L72 HydrophobicContact CD2-CB 4.17Å; L67-L72 HydrophobicContact CD2-CD2 4.35Å; L67-L72 HydrophobicContact CG-CB 3.84Å; L67-L72 HydrophobicContact CG-CD2 4.09Å; L67-L72 WeakPolarHBondContact O-CB 3.37Å; L67-L72 PolarHBondContact O-N 3.47Å; L67-L245 HydrophobicContact CD2-CD1 4.36Å; L67-V301 HydrophobicContact CD1-CG1 4.21Å; L67-I305 HydrophobicContact CD1-CD1 4.09Å; L67-I305 HydrophobicContact CD1-CG1 4.13Å; L67-I305 HydrophobicContact CG-CD1 4.44Å
68	H	97.9	Very high	98.6	Very high	42 Å²	42	28.3 Å²	28.3	19%	0.194	14%	0.139	C	C	.	.	H	α-helix	trans	-59.2	-36.9	178.2	-179.4	75.7	0	0	0	111.7	A64 Q65 F70 T71 E94 E97 S98	A64-H68 VanDerWaalsContact O-CB 3.28Å; A64-H68 WeakPolarHBondContact O-CB 3.28Å; A64-H68 PolarHBondContact O-N 3.11Å; Q65-H68 PolarHBondContact O-N 2.68Å; H68-F70 PolarHBondContact O-N 2.94Å; H68-T71 PolarHBondContact O-N 3.19Å; H68-E94 PolarHBondContact CE1-O 3.1Å; H68-E97 IonicContact CE1-OE1 3.65Å; H68-S98 PolarHBondContact ND1-OG 2.9Å
69	E	97.8	Very high	98.5	Very high	161 Å²	161	31.2 Å²	31.2	75%	0.752	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.4	176	-62.1	-159.1	147.4	0	0	113.7	L67	L67-E69 PolarHBondContact O-N 3.25Å
70	F	98.4	Very high	98.5	Very high	38 Å²	38	33.2 Å²	33.2	17%	0.167	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	5.7	176.9	-63.9	-89.2	0	0	0	113.2	I48 A66 L67 H68 L72 D302 I305 R306 L309	I48-F70 WeakPolarHBondContact CD1-O 3.46Å; A66-F70 WeakPolarHBondContact O-CD2 3.44Å; L67-F70 PolarHBondContact O-N 3.24Å; H68-F70 PolarHBondContact O-N 2.94Å; F70-L72 HydrophobicContact CB-CD1 3.52Å; F70-L72 WeakPolarHBondContact O-CD1 3.41Å; F70-L72 PolarHBondContact O-N 3.34Å; F70-D302 HydrophobicContact CE2-CB 4.07Å; F70-D302 HydrophobicContact CZ-CB 4.02Å; F70-I305 HydrophobicContact CB-CG2 4.05Å; F70-I305 HydrophobicContact CD1-CG2 3.86Å; F70-I305 HydrophobicContact CD2-CB 4.41Å; F70-I305 HydrophobicContact CD2-CG2 3.9Å; F70-I305 HydrophobicContact CE1-CG2 4.26Å; F70-I305 HydrophobicContact CE2-CB 4.41Å; F70-I305 HydrophobicContact CE2-CG2 4.3Å; F70-I305 HydrophobicContact CG-CG2 3.66Å; F70-I305 HydrophobicContact CZ-CG2 4.46Å; F70-R306 HydrophobicContact CE1-CG 3.88Å; F70-R306 HydrophobicContact CZ-CG 4.18Å; F70-L309 HydrophobicContact CB-CD1 4.43Å; F70-L309 HydrophobicContact CD1-CD1 4.13Å
71	T	98.2	Very high	98.4	Very high	65 Å²	65	35.2 Å²	35.2	40%	0.399	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	31.3	-172.4	-32.5	0	0	0	0	112.6	L33 I48 L67 H68	L33-T71 HydrophobicContact CD2-CG2 4.11Å; I48-T71 PolarHBondContact N-O 3.31Å; L67-T71 PolarHBondContact O-N 3.38Å; H68-T71 PolarHBondContact O-N 3.19Å
72	L	98.8	Very high	98.4	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.187	C	C	.	.			trans	-87.4	175.9	172.5	-90.5	73.4	0	0	0	110.4	I48 I50 L67 F70 S98 I305 L309	I48-L72 HydrophobicContact CB-CD1 3.78Å; I48-L72 HydrophobicContact CB-CG 4.34Å; I48-L72 HydrophobicContact CD1-CD1 4.1Å; I48-L72 HydrophobicContact CG1-CD1 4.43Å; I48-L72 HydrophobicContact CG2-CD1 3.91Å; I48-L72 HydrophobicContact CG2-CG 4.35Å; I50-L72 HydrophobicContact CB-CD2 3.8Å; I50-L72 HydrophobicContact CB-CG 4.07Å; I50-L72 HydrophobicContact CG2-CD2 3.82Å; L67-L72 HydrophobicContact CB-CB 3.77Å; L67-L72 HydrophobicContact CD2-CB 4.17Å; L67-L72 HydrophobicContact CD2-CD2 4.35Å; L67-L72 HydrophobicContact CG-CB 3.84Å; L67-L72 HydrophobicContact CG-CD2 4.09Å; L67-L72 WeakPolarHBondContact O-CB 3.37Å; L67-L72 PolarHBondContact O-N 3.47Å; F70-L72 HydrophobicContact CB-CD1 3.52Å; F70-L72 WeakPolarHBondContact O-CD1 3.41Å; F70-L72 PolarHBondContact O-N 3.34Å; L72-S98 WeakPolarHBondContact O-CB 3.48Å; L72-I305 HydrophobicContact CD1-CG2 4.32Å; L72-I305 HydrophobicContact CD2-CD1 3.92Å; L72-I305 HydrophobicContact CD2-CG2 4.06Å; L72-L309 HydrophobicContact CD1-CD1 4.17Å; L72-L309 HydrophobicContact CD1-CD2 4.31Å
73	F	98.9	Very high	98.4	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.2	-174.9	-160.8	-81.5	0	0	0	111.4	Y45 I50 I51 A52 S98 V99 A100 Y125 M155	Y45-F73 AromaticContact CE2-CD2 3.94Å; Y45-F73 HydrophobicContact CE2-CD2 3.94Å; I50-F73 PolarHBondContact O-N 2.94Å; I51-F73 CarbonylContact C-O 3.53Å; I51-F73 VanDerWaalsContact CA-O 3.27Å; I51-F73 WeakPolarHBondContact CA-O 3.36Å; I51-F73 HydrophobicContact CG1-CB 4.13Å; I51-F73 HydrophobicContact CG1-CD1 4.35Å; I51-F73 HydrophobicContact CG2-CD1 4.01Å; A52-F73 PolarHBondContact N-O 3.32Å; F73-S98 CarbonylContact C-O 3.53Å; F73-S98 VanDerWaalsContact CA-O 3.32Å; F73-S98 WeakPolarHBondContact CA-O 3.32Å; F73-S98 WeakPolarHBondContact CD2-O 3.12Å; F73-S98 VanDerWaalsContact CE2-C 3.47Å; F73-S98 WeakPolarHBondContact CG-O 3.4Å; F73-V99 VanDerWaalsContact CZ-C 3.42Å; F73-A100 HydrophobicContact CE1-CB 3.76Å; F73-A100 HydrophobicContact CZ-CB 4.1Å; F73-Y125 HydrophobicContact CE2-CD1 4.28Å; F73-Y125 AromaticContact CE2-CD2 3.82Å; F73-Y125 HydrophobicContact CE2-CD2 3.82Å; F73-Y125 HydrophobicContact CE2-CE1 4.33Å; F73-Y125 AromaticContact CE2-CE2 3.88Å; F73-Y125 HydrophobicContact CE2-CE2 3.88Å; F73-Y125 HydrophobicContact CE2-CG 4.04Å; F73-Y125 HydrophobicContact CZ-CD1 4.01Å; F73-Y125 AromaticContact CZ-CD2 3.71Å; F73-Y125 HydrophobicContact CZ-CD2 3.71Å; F73-Y125 HydrophobicContact CZ-CE2 4.26Å; F73-Y125 AromaticContact CZ-CG 3.59Å; F73-Y125 HydrophobicContact CZ-CG 3.59Å; F73-M155 HydrophobicContact CD1-CE 4.24Å; F73-M155 HydrophobicContact CE1-CE 3.61Å; F73-M155 HydrophobicContact CZ-CE 3.82Å
74	T	98.9	Very high	98.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	122	174.9	-60	0	0	0	0	111.6	A52 A64 I76 S98 V99 A100	A52-T74 HydrophobicContact CB-CG2 3.95Å; A64-T74 WeakPolarHBondContact CA-OG1 3.43Å; A64-T74 HydrophobicContact CB-CG2 4.05Å; T74-I76 HydrophobicContact CG2-CD1 3.63Å; T74-I76 HydrophobicContact CG2-CG1 4.28Å; T74-I76 PolarHBondContact O-N 3.47Å; T74-S98 PolarHBondContact N-O 3.41Å; T74-V99 CarbonylContact O-C 3.26Å; T74-V99 WeakPolarHBondContact O-CA 3.42Å; T74-A100 PolarHBondContact O-N 3.11Å
75	A	98.9	Very high	98.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	109.6	163.8	0	0	0	0	0	107.3	I51 A52 N54 C127 M240	I51-A75 HydrophobicContact CG2-CB 4.05Å; A52-A75 PolarHBondContact O-N 3.44Å; N54-A75 WeakPolarHBondContact CA-O 3.37Å; N54-A75 HydrophobicContact CB-CB 3.87Å; N54-A75 PolarHBondContact N-O 2.95Å; A75-C127 HydrophobicContact CB-CB 4.49Å; A75-M240 HydrophobicContact CB-CE 3.95Å
76	I	98.9	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	137.1	-175.3	-62.3	-71.5	0	0	0	109.4	G59 T60 F61 A64 T74 Y80 W85 V99 A100 S102	G59-I76 CarbonylContact O-C 3.56Å; G59-I76 VanDerWaalsContact O-CA 3.32Å; G59-I76 WeakPolarHBondContact O-CA 3.45Å; T60-I76 WeakPolarHBondContact O-CD1 3.29Å; F61-I76 HydrophobicContact CD1-CD1 3.76Å; F61-I76 HydrophobicContact CD1-CG1 4.35Å; F61-I76 HydrophobicContact CD1-CG2 4.34Å; F61-I76 HydrophobicContact CE1-CD1 4.14Å; F61-I76 HydrophobicContact CE1-CG1 4.24Å; F61-I76 HydrophobicContact CE1-CG2 3.87Å; F61-I76 HydrophobicContact CZ-CG2 4.35Å; A64-I76 HydrophobicContact CB-CD1 3.89Å; T74-I76 HydrophobicContact CG2-CD1 3.63Å; T74-I76 HydrophobicContact CG2-CG1 4.28Å; T74-I76 PolarHBondContact O-N 3.47Å; I76-Y80 HydrophobicContact CG2-CD2 3.77Å; I76-Y80 HydrophobicContact CG2-CE2 4.13Å; I76-W85 HydrophobicContact CB-CH2 3.65Å; I76-W85 HydrophobicContact CB-CZ2 3.59Å; I76-W85 HydrophobicContact CG1-CH2 3.61Å; I76-W85 HydrophobicContact CG1-CZ2 4.08Å; I76-W85 HydrophobicContact CG1-CZ3 4.43Å; I76-W85 HydrophobicContact CG2-CH2 3.94Å; I76-W85 HydrophobicContact CG2-CZ2 3.49Å; I76-W85 VanDerWaalsContact CG2-CZ2 3.49Å; I76-V99 HydrophobicContact CD1-CG1 4.49Å; I76-V99 HydrophobicContact CG1-CB 4.17Å; I76-V99 HydrophobicContact CG1-CG1 4.31Å; I76-A100 PolarHBondContact N-O 3.37Å; I76-S102 WeakPolarHBondContact O-CB 3.43Å; I76-S102 PolarHBondContact O-OG 3.49Å
77	H	98.6	Very high	98.4	Very high	13 Å²	13	44.7 Å²	44.7	6%	0.06	23%	0.227	C	C	.	.			trans	-62.2	151.9	178.5	69	77.8	0	0	0	112.2	N54 D56 G59 H79 Y80	N54-H77 WeakPolarHBondContact O-CB 3.38Å; D56-H77 HydrophobicContact CB-CB 4.38Å; G59-H77 PolarHBondContact O-CD2 2.98Å; G59-H77 PolarHBondContact O-N 2.95Å; H77-H79 WeakPolarHBondContact ND1-CB 3.45Å; H77-H79 AromaticContact ND1-CD2 3.84Å; H77-H79 PolarHBondContact ND1-N 3.23Å; H77-H79 PolarHBondContact O-N 3.45Å; H77-Y80 AromaticContact CD2-CE2 3.85Å; H77-Y80 AromaticContact CE1-CD2 3.41Å; H77-Y80 VanDerWaalsContact CE1-CD2 3.41Å; H77-Y80 WeakPolarHBondContact CE1-CD2 3.46Å; H77-Y80 AromaticContact CE1-CE2 3.4Å; H77-Y80 VanDerWaalsContact CE1-CE2 3.4Å; H77-Y80 WeakPolarHBondContact CE1-CE2 3.41Å; H77-Y80 AromaticContact CE1-CG 3.85Å; H77-Y80 AromaticContact CE1-CZ 3.84Å; H77-Y80 AromaticContact NE2-CD2 3.58Å; H77-Y80 AromaticContact NE2-CE2 3.06Å; H77-Y80 WeakPolarHBondContact NE2-CE2 3.38Å; H77-Y80 AromaticContact NE2-CZ 3.44Å
78	K	97.5	Very high	98.4	Very high	71 Å²	71	45.1 Å²	45.1	31%	0.309	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	11.4	-171.2	72.6	172.5	-168.4	158	0	116.3	S102 D109 K112	K78-S102 VanDerWaalsContact CB-O 3.24Å; K78-S102 WeakPolarHBondContact CB-O 3.18Å; K78-D109 VanDerWaalsContact NZ-CG 3.27Å; K78-D109 IonicContact NZ-OD1 3.75Å; K78-D109 PolarHBondContact NZ-OD1 3.46Å; K78-D109 IonicContact NZ-OD2 3.68Å; K78-D109 PolarHBondContact NZ-OD2 3.06Å; K78-K112 PolarHBondContact O-NZ 2.82Å
79	H	97	Very high	98.4	Very high	61 Å²	61	43.8 Å²	43.8	28%	0.282	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-10.9	-167.7	-57.3	-74.9	0	0	0	114.9	H77 M269 H278	H77-H79 WeakPolarHBondContact ND1-CB 3.45Å; H77-H79 AromaticContact ND1-CD2 3.84Å; H77-H79 PolarHBondContact ND1-N 3.23Å; H77-H79 PolarHBondContact O-N 3.45Å; H79-M269 WeakPolarHBondContact NE2-CE 3.36Å; H79-H278 AromaticContact CD2-CE1 3.82Å; H79-H278 AromaticContact CD2-NE2 3.84Å; H79-H278 AromaticContact CE1-CD2 3.54Å; H79-H278 AromaticContact CE1-CE1 3.74Å; H79-H278 AromaticContact CE1-CG 3.37Å; H79-H278 AromaticContact CE1-ND1 3.53Å; H79-H278 AromaticContact CE1-NE2 3.77Å; H79-H278 AromaticContact CG-CE1 3.59Å; H79-H278 AromaticContact CG-ND1 3.83Å; H79-H278 AromaticContact ND1-CE1 3.55Å; H79-H278 AromaticContact ND1-CG 3.65Å; H79-H278 AromaticContact ND1-ND1 3.3Å; H79-H278 PolarHBondContact ND1-ND1 3.04Å; H79-H278 AromaticContact NE2-CD2 3.71Å; H79-H278 AromaticContact NE2-CE1 3.93Å; H79-H278 AromaticContact NE2-CG 4Å; H79-H278 AromaticContact NE2-NE2 3.67Å
80	Y	98.3	Very high	98.4	Very high	42 Å²	42	40 Å²	40	17%	0.165	22%	0.222	C	C	.	.	S	Bend	trans	-67.4	151	169.6	-73.6	-60.2	0	0	0	111.8	F61 I76 H77 D84 K112	F61-Y80 HydrophobicContact CD1-CE2 4.32Å; F61-Y80 HydrophobicContact CD2-CD1 4.12Å; F61-Y80 AromaticContact CD2-CD2 3.79Å; F61-Y80 HydrophobicContact CD2-CD2 3.79Å; F61-Y80 AromaticContact CD2-CE1 3.8Å; F61-Y80 HydrophobicContact CD2-CE1 3.8Å; F61-Y80 AromaticContact CD2-CE2 3.43Å; F61-Y80 HydrophobicContact CD2-CE2 3.43Å; F61-Y80 VanDerWaalsContact CD2-CE2 3.43Å; F61-Y80 HydrophobicContact CD2-CG 4.11Å; F61-Y80 AromaticContact CD2-CZ 3.44Å; F61-Y80 VanDerWaalsContact CD2-CZ 3.44Å; F61-Y80 HydrophobicContact CE1-CD2 4.16Å; F61-Y80 HydrophobicContact CE1-CE2 4.36Å; F61-Y80 AromaticContact CE2-CD1 3.65Å; F61-Y80 HydrophobicContact CE2-CD1 3.65Å; F61-Y80 AromaticContact CE2-CD2 3.29Å; F61-Y80 HydrophobicContact CE2-CD2 3.29Å; F61-Y80 AromaticContact CE2-CE1 3.83Å; F61-Y80 HydrophobicContact CE2-CE1 3.83Å; F61-Y80 AromaticContact CE2-CE2 3.49Å; F61-Y80 HydrophobicContact CE2-CE2 3.49Å; F61-Y80 VanDerWaalsContact CE2-CE2 3.49Å; F61-Y80 AromaticContact CE2-CG 3.37Å; F61-Y80 HydrophobicContact CE2-CG 3.37Å; F61-Y80 AromaticContact CE2-CZ 3.76Å; F61-Y80 HydrophobicContact CG-CD2 4.39Å; F61-Y80 AromaticContact CG-CE2 3.87Å; F61-Y80 HydrophobicContact CG-CE2 3.87Å; F61-Y80 AromaticContact CZ-CD2 3.5Å; F61-Y80 HydrophobicContact CZ-CD2 3.5Å; F61-Y80 AromaticContact CZ-CE2 3.97Å; F61-Y80 HydrophobicContact CZ-CE2 3.97Å; F61-Y80 AromaticContact CZ-CG 3.8Å; F61-Y80 HydrophobicContact CZ-CG 3.8Å; I76-Y80 HydrophobicContact CG2-CD2 3.77Å; I76-Y80 HydrophobicContact CG2-CE2 4.13Å; H77-Y80 AromaticContact CD2-CE2 3.85Å; H77-Y80 AromaticContact CE1-CD2 3.41Å; H77-Y80 VanDerWaalsContact CE1-CD2 3.41Å; H77-Y80 WeakPolarHBondContact CE1-CD2 3.46Å; H77-Y80 AromaticContact CE1-CE2 3.4Å; H77-Y80 VanDerWaalsContact CE1-CE2 3.4Å; H77-Y80 WeakPolarHBondContact CE1-CE2 3.41Å; H77-Y80 AromaticContact CE1-CG 3.85Å; H77-Y80 AromaticContact CE1-CZ 3.84Å; H77-Y80 AromaticContact NE2-CD2 3.58Å; H77-Y80 AromaticContact NE2-CE2 3.06Å; H77-Y80 WeakPolarHBondContact NE2-CE2 3.38Å; H77-Y80 AromaticContact NE2-CZ 3.44Å; Y80-D84 HydrophobicContact CD1-CB 3.88Å; Y80-D84 HydrophobicContact CG-CB 4.23Å; Y80-K112 WeakPolarHBondContact O-CE 3.41Å; Y80-K112 PolarHBondContact O-NZ 3.16Å
81	S	98.1	Very high	98.4	Very high	46 Å²	46	44.3 Å²	44.3	32%	0.322	24%	0.24	S	C	.	.			trans	-80.9	170.8	174	70.5	0	0	0	0	111.6	D83 D84 W85	S81-D83 VanDerWaalsContact C-N 3.27Å; S81-D83 PolarHBondContact O-N 2.91Å; S81-D84 WeakPolarHBondContact CB-OD2 3.44Å; S81-D84 PolarHBondContact N-OD2 3.01Å; S81-D84 PolarHBondContact O-N 3.26Å; S81-D84 PolarHBondContact OG-N 3.33Å; S81-D84 VanDerWaalsContact OG-N 3.15Å; S81-D84 PolarHBondContact OG-OD2 3.39Å; S81-W85 VanDerWaalsContact O-CD1 3.29Å; S81-W85 PolarHBondContact O-N 3.46Å
82	I	98.3	Very high	98.4	Very high	63 Å²	63	43.2 Å²	43.2	32%	0.323	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-37.4	174.9	-62.2	155.6	0	0	0	110.4	W85 S86 A115 I116	I82-W85 PolarHBondContact O-N 2.73Å; I82-S86 WeakPolarHBondContact O-CB 3.3Å; I82-S86 PolarHBondContact O-N 2.97Å; I82-S86 PolarHBondContact O-OG 3.11Å; I82-A115 HydrophobicContact CD1-CB 3.55Å; I82-A115 HydrophobicContact CG1-CB 4.12Å; I82-I116 HydrophobicContact CG1-CG1 3.92Å
83	D	98.3	Very high	98.4	Very high	125 Å²	125	46.8 Å²	46.8	67%	0.668	25%	0.254	S	S	*	.	H	α-helix	trans	-66.3	-42.2	178.3	-66.8	-18.8	0	0	0	111.1	S81 W85 S86 E87	S81-D83 VanDerWaalsContact C-N 3.27Å; S81-D83 PolarHBondContact O-N 2.91Å; D83-W85 VanDerWaalsContact C-N 3.31Å; D83-W85 PolarHBondContact O-N 2.92Å; D83-S86 PolarHBondContact O-N 2.99Å; D83-E87 WeakPolarHBondContact O-CB 3.43Å; D83-E87 PolarHBondContact O-N 3.04Å
84	D	98.6	Very high	98.3	Very high	61 Å²	61	51 Å²	51	33%	0.326	27%	0.274	S	S	.	.	H	α-helix	trans	-60.2	-41.9	175.6	-59.2	-49.3	0	0	0	111.4	F61 Y80 S81 E87 F88	F61-D84 HydrophobicContact CE2-CB 4.01Å; Y80-D84 HydrophobicContact CD1-CB 3.88Å; Y80-D84 HydrophobicContact CG-CB 4.23Å; S81-D84 WeakPolarHBondContact CB-OD2 3.44Å; S81-D84 PolarHBondContact N-OD2 3.01Å; S81-D84 PolarHBondContact O-N 3.26Å; S81-D84 PolarHBondContact OG-N 3.33Å; S81-D84 VanDerWaalsContact OG-N 3.15Å; S81-D84 PolarHBondContact OG-OD2 3.39Å; D84-E87 PolarHBondContact O-N 3.28Å; D84-F88 WeakPolarHBondContact O-CB 3.48Å; D84-F88 PolarHBondContact O-N 2.93Å
85	W	98.7	Very high	98.2	Very high	2 Å²	2	51 Å²	51	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-42.2	175.1	-87.6	102.9	0	0	0	112.3	F61 I76 S81 I82 D83 E87 F88 A89 V99 V101 I116 V120 L123	F61-W85 AromaticContact CE1-CD2 3.99Å; F61-W85 HydrophobicContact CE1-CD2 3.99Å; F61-W85 AromaticContact CE1-CE3 3.86Å; F61-W85 HydrophobicContact CE1-CE3 3.86Å; F61-W85 HydrophobicContact CE1-CH2 4.15Å; F61-W85 HydrophobicContact CE1-CZ2 4.25Å; F61-W85 AromaticContact CE1-CZ3 3.93Å; F61-W85 HydrophobicContact CE1-CZ3 3.93Å; F61-W85 AromaticContact CZ-CD2 3.8Å; F61-W85 HydrophobicContact CZ-CD2 3.8Å; F61-W85 AromaticContact CZ-CE2 4Å; F61-W85 HydrophobicContact CZ-CE3 4.1Å; F61-W85 HydrophobicContact CZ-CG 4.06Å; I76-W85 HydrophobicContact CB-CH2 3.65Å; I76-W85 HydrophobicContact CB-CZ2 3.59Å; I76-W85 HydrophobicContact CG1-CH2 3.61Å; I76-W85 HydrophobicContact CG1-CZ2 4.08Å; I76-W85 HydrophobicContact CG1-CZ3 4.43Å; I76-W85 HydrophobicContact CG2-CH2 3.94Å; I76-W85 HydrophobicContact CG2-CZ2 3.49Å; I76-W85 VanDerWaalsContact CG2-CZ2 3.49Å; S81-W85 VanDerWaalsContact O-CD1 3.29Å; S81-W85 PolarHBondContact O-N 3.46Å; I82-W85 PolarHBondContact O-N 2.73Å; D83-W85 VanDerWaalsContact C-N 3.31Å; D83-W85 PolarHBondContact O-N 2.92Å; W85-E87 VanDerWaalsContact C-N 3.34Å; W85-F88 PolarHBondContact O-N 3.44Å; W85-A89 VanDerWaalsContact O-CB 3.24Å; W85-A89 WeakPolarHBondContact O-CB 3.5Å; W85-A89 PolarHBondContact O-N 3.47Å; W85-V99 HydrophobicContact CZ3-CG2 4.22Å; W85-V101 HydrophobicContact CH2-CB 4.16Å; W85-V101 HydrophobicContact CZ2-CB 3.91Å; W85-V101 HydrophobicContact CZ2-CG2 3.95Å; W85-I116 HydrophobicContact CB-CG2 4.14Å; W85-I116 HydrophobicContact CD2-CG2 3.88Å; W85-I116 HydrophobicContact CG-CG1 4.45Å; W85-I116 HydrophobicContact CG-CG2 3.68Å; W85-V120 HydrophobicContact CB-CG2 4.33Å; W85-L123 HydrophobicContact CE3-CD1 4.08Å; W85-L123 HydrophobicContact CE3-CD2 4.34Å; W85-L123 HydrophobicContact CH2-CD2 4.38Å; W85-L123 HydrophobicContact CZ3-CD1 4.07Å; W85-L123 HydrophobicContact CZ3-CD2 3.71Å
86	S	98.3	Very high	98.2	Very high	44 Å²	44	51.1 Å²	51.1	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-64.1	-41.7	178.1	-60.5	0	0	0	0	111.1	I82 D83 A90	I82-S86 WeakPolarHBondContact O-CB 3.3Å; I82-S86 PolarHBondContact O-N 2.97Å; I82-S86 PolarHBondContact O-OG 3.11Å; D83-S86 PolarHBondContact O-N 2.99Å; S86-A90 WeakPolarHBondContact O-CB 3.29Å; S86-A90 PolarHBondContact O-N 3.32Å
87	E	98.6	Very high	98.1	Very high	101 Å²	101	57.2 Å²	57.2	47%	0.472	30%	0.303	S	S	.	.	H	α-helix	trans	-65.6	-46.5	175.4	-176.4	175.9	177.2	0	0	111.7	D83 D84 W85 A89 A90 K91	D83-E87 WeakPolarHBondContact O-CB 3.43Å; D83-E87 PolarHBondContact O-N 3.04Å; D84-E87 PolarHBondContact O-N 3.28Å; W85-E87 VanDerWaalsContact C-N 3.34Å; E87-A89 PolarHBondContact O-N 2.9Å; E87-A90 PolarHBondContact O-N 3.14Å; E87-K91 HydrophobicContact CG-CD 4.02Å; E87-K91 WeakPolarHBondContact O-CB 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.19Å; E87-K91 PolarHBondContact O-N 3.05Å; E87-K91 VanDerWaalsContact OE1-CE 3.3Å; E87-K91 WeakPolarHBondContact OE1-CE 3.35Å; E87-K91 IonicContact OE1-NZ 3.87Å; E87-K91 PolarHBondContact OE1-NZ 3.5Å
88	F	98.7	Very high	98	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.035	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-46.8	176	177.4	-106.7	0	0	0	111.5	F61 A64 Q65 D84 W85 A90 K91 H92 C95 L96	F61-F88 HydrophobicContact CB-CD2 3.58Å; F61-F88 HydrophobicContact CB-CE2 3.73Å; F61-F88 HydrophobicContact CB-CG 4.28Å; F61-F88 HydrophobicContact CD1-CB 3.99Å; F61-F88 AromaticContact CD1-CD1 3.56Å; F61-F88 HydrophobicContact CD1-CD1 3.56Å; F61-F88 AromaticContact CD1-CD2 3.55Å; F61-F88 HydrophobicContact CD1-CD2 3.55Å; F61-F88 AromaticContact CD1-CE1 3.85Å; F61-F88 HydrophobicContact CD1-CE1 3.85Å; F61-F88 AromaticContact CD1-CE2 3.83Å; F61-F88 HydrophobicContact CD1-CE2 3.83Å; F61-F88 AromaticContact CD1-CG 3.39Å; F61-F88 HydrophobicContact CD1-CG 3.39Å; F61-F88 AromaticContact CD1-CZ 3.97Å; F61-F88 HydrophobicContact CD1-CZ 3.97Å; F61-F88 HydrophobicContact CD2-CB 4.14Å; F61-F88 HydrophobicContact CD2-CD2 4.32Å; F61-F88 HydrophobicContact CD2-CG 4.29Å; F61-F88 HydrophobicContact CE1-CB 3.95Å; F61-F88 AromaticContact CE1-CD1 3.63Å; F61-F88 HydrophobicContact CE1-CD1 3.63Å; F61-F88 HydrophobicContact CE1-CD2 4.31Å; F61-F88 HydrophobicContact CE1-CE1 4.19Å; F61-F88 AromaticContact CE1-CG 3.68Å; F61-F88 HydrophobicContact CE1-CG 3.68Å; F61-F88 HydrophobicContact CE2-CB 4.08Å; F61-F88 HydrophobicContact CG-CB 4.11Å; F61-F88 HydrophobicContact CG-CD1 4.38Å; F61-F88 AromaticContact CG-CD2 3.57Å; F61-F88 HydrophobicContact CG-CD2 3.57Å; F61-F88 HydrophobicContact CG-CE2 4.04Å; F61-F88 AromaticContact CG-CG 3.75Å; F61-F88 HydrophobicContact CG-CG 3.75Å; F61-F88 HydrophobicContact CZ-CB 3.99Å; F61-F88 HydrophobicContact CZ-CD1 4.47Å; F61-F88 HydrophobicContact CZ-CG 4.25Å; A64-F88 HydrophobicContact CB-CZ 4.15Å; Q65-F88 HydrophobicContact CG-CE2 4.12Å; D84-F88 WeakPolarHBondContact O-CB 3.48Å; D84-F88 PolarHBondContact O-N 2.93Å; W85-F88 PolarHBondContact O-N 3.44Å; F88-A90 VanDerWaalsContact C-N 3.31Å; F88-A90 PolarHBondContact O-N 3.35Å; F88-K91 PolarHBondContact O-N 3.43Å; F88-H92 HydrophobicContact CD2-CB 4.21Å; F88-H92 AromaticContact CD2-CD2 3.84Å; F88-H92 HydrophobicContact CE2-CB 3.87Å; F88-H92 AromaticContact CE2-CD2 3.95Å; F88-H92 HydrophobicContact CZ-CB 4.18Å; F88-H92 WeakPolarHBondContact O-CA 3.41Å; F88-H92 WeakPolarHBondContact O-CB 3.49Å; F88-H92 PolarHBondContact O-N 3.33Å; F88-C95 HydrophobicContact CE1-CB 4.12Å; F88-C95 HydrophobicContact CZ-CB 3.62Å; F88-L96 HydrophobicContact CD1-CD2 4.14Å; F88-L96 HydrophobicContact CE1-CD2 4.09Å
89	A	98.4	Very high	98	Very high	14 Å²	14	53.9 Å²	53.9	12%	0.116	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-36.1	178.8	0	0	0	0	0	113	W85 E87 P93 L96 V120	W85-A89 VanDerWaalsContact O-CB 3.24Å; W85-A89 WeakPolarHBondContact O-CB 3.5Å; W85-A89 PolarHBondContact O-N 3.47Å; E87-A89 PolarHBondContact O-N 2.9Å; A89-P93 WeakPolarHBondContact O-CA 2.88Å; A89-L96 HydrophobicContact CB-CD1 3.8Å; A89-L96 HydrophobicContact CB-CD2 4.04Å; A89-L96 HydrophobicContact CB-CG 4.5Å; A89-V120 HydrophobicContact CB-CB 4.41Å; A89-V120 HydrophobicContact CB-CG1 3.5Å; A89-V120 HydrophobicContact CB-CG2 3.93Å
90	A	98.3	Very high	98.1	Very high	82 Å²	82	51 Å²	51	68%	0.678	28%	0.276	S	S	*	.	H	α-helix	trans	-70.7	-37.5	176.9	0	0	0	0	0	112.5	S86 E87 F88	S86-A90 WeakPolarHBondContact O-CB 3.29Å; S86-A90 PolarHBondContact O-N 3.32Å; E87-A90 PolarHBondContact O-N 3.14Å; F88-A90 VanDerWaalsContact C-N 3.31Å; F88-A90 PolarHBondContact O-N 3.35Å
91	K	98.4	Very high	98.1	Very high	128 Å²	128	49 Å²	49	56%	0.557	27%	0.269	S	S	*	.	H	α-helix	trans	-83.9	-34.4	-178.1	-71.4	179.4	174	178.1	0	113.6	E87 F88 P93	E87-K91 HydrophobicContact CG-CD 4.02Å; E87-K91 WeakPolarHBondContact O-CB 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.19Å; E87-K91 PolarHBondContact O-N 3.05Å; E87-K91 VanDerWaalsContact OE1-CE 3.3Å; E87-K91 WeakPolarHBondContact OE1-CE 3.35Å; E87-K91 IonicContact OE1-NZ 3.87Å; E87-K91 PolarHBondContact OE1-NZ 3.5Å; F88-K91 PolarHBondContact O-N 3.43Å; K91-P93 VanDerWaalsContact C-CD 3.43Å
92	H	98.2	Very high	98.2	Very high	43 Å²	43	47.1 Å²	47.1	20%	0.199	26%	0.256	C	S	.	.			trans	-131.5	55.4	-171.7	-58.3	-69	0	0	0	112.3	Q65 F88 E94 C95	Q65-H92 VanDerWaalsContact CD-CE1 3.49Å; Q65-H92 PolarHBondContact OE1-CE1 3.46Å; Q65-H92 PolarHBondContact OE1-NE2 3.25Å; F88-H92 HydrophobicContact CD2-CB 4.21Å; F88-H92 AromaticContact CD2-CD2 3.84Å; F88-H92 HydrophobicContact CE2-CB 3.87Å; F88-H92 AromaticContact CE2-CD2 3.95Å; F88-H92 HydrophobicContact CZ-CB 4.18Å; F88-H92 WeakPolarHBondContact O-CA 3.41Å; F88-H92 WeakPolarHBondContact O-CB 3.49Å; F88-H92 PolarHBondContact O-N 3.33Å; H92-E94 VanDerWaalsContact C-OE2 3.26Å; H92-E94 WeakPolarHBondContact CA-OE1 2.96Å; H92-E94 WeakPolarHBondContact CA-OE2 3.34Å; H92-E94 WeakPolarHBondContact CB-OE1 3.29Å; H92-E94 IonicContact CG-OE1 3.59Å; H92-E94 IonicContact ND1-OE1 2.96Å; H92-E94 PolarHBondContact ND1-OE1 3.05Å; H92-E94 PolarHBondContact O-N 3.42Å; H92-C95 HydrophobicContact CB-CB 4.28Å; H92-C95 WeakPolarHBondContact O-CB 3.46Å; H92-C95 PolarHBondContact O-N 3.41Å; H92-C95 VanDerWaalsContact O-N 3.07Å
93	P	98	Very high	98.2	Very high	77 Å²	77	44.3 Å²	44.3	50%	0.5	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-60	-27.8	-177.7	26.2	-35.7	0	0	0	113.2	A89 K91 C95 L96	A89-P93 WeakPolarHBondContact O-CA 2.88Å; K91-P93 VanDerWaalsContact C-CD 3.43Å; P93-C95 VanDerWaalsContact C-N 3.29Å; P93-C95 PolarHBondContact O-N 3.49Å; P93-L96 WeakPolarHBondContact O-CB 3.14Å; P93-L96 PolarHBondContact O-N 3.26Å
94	E	97.1	Very high	98.1	Very high	88 Å²	88	38.6 Å²	38.6	41%	0.411	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-62.4	-33.5	175.8	70.8	-68.5	161.4	0	0	112.9	H68 H92 L96	H68-E94 PolarHBondContact CE1-O 3.1Å; H92-E94 VanDerWaalsContact C-OE2 3.26Å; H92-E94 WeakPolarHBondContact CA-OE1 2.96Å; H92-E94 WeakPolarHBondContact CA-OE2 3.34Å; H92-E94 WeakPolarHBondContact CB-OE1 3.29Å; H92-E94 IonicContact CG-OE1 3.59Å; H92-E94 IonicContact ND1-OE1 2.96Å; H92-E94 PolarHBondContact ND1-OE1 3.05Å; H92-E94 PolarHBondContact O-N 3.42Å; E94-L96 VanDerWaalsContact C-N 3.25Å; E94-L96 PolarHBondContact O-N 3.29Å
95	C	97.8	Very high	98	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-71.3	-22.2	-178	-68.8	0	0	0	0	112.7	F88 H92 P93 E97 S98	F88-C95 HydrophobicContact CE1-CB 4.12Å; F88-C95 HydrophobicContact CZ-CB 3.62Å; H92-C95 HydrophobicContact CB-CB 4.28Å; H92-C95 WeakPolarHBondContact O-CB 3.46Å; H92-C95 PolarHBondContact O-N 3.41Å; H92-C95 VanDerWaalsContact O-N 3.07Å; P93-C95 VanDerWaalsContact C-N 3.29Å; P93-C95 PolarHBondContact O-N 3.49Å; C95-E97 PolarHBondContact O-N 2.86Å; C95-E97 VanDerWaalsContact O-N 3.16Å; C95-S98 PolarHBondContact O-N 2.93Å; C95-S98 PolarHBondContact O-OG 3.1Å
96	L	98.1	Very high	97.8	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-63.4	-24	-169.8	-61.5	178.2	0	0	0	114	F88 A89 P93 E94 S98 V99 V120 Q122 L123	F88-L96 HydrophobicContact CD1-CD2 4.14Å; F88-L96 HydrophobicContact CE1-CD2 4.09Å; A89-L96 HydrophobicContact CB-CD1 3.8Å; A89-L96 HydrophobicContact CB-CD2 4.04Å; A89-L96 HydrophobicContact CB-CG 4.5Å; P93-L96 WeakPolarHBondContact O-CB 3.14Å; P93-L96 PolarHBondContact O-N 3.26Å; E94-L96 VanDerWaalsContact C-N 3.25Å; E94-L96 PolarHBondContact O-N 3.29Å; L96-S98 PolarHBondContact O-N 3.44Å; L96-V99 HydrophobicContact CD2-CG2 4.41Å; L96-V120 HydrophobicContact CD1-CG1 4.03Å; L96-V120 HydrophobicContact CD2-CG1 4.25Å; L96-Q122 HydrophobicContact CB-CB 4.32Å; L96-Q122 HydrophobicContact CD1-CB 3.81Å; L96-Q122 HydrophobicContact CD1-CG 4.25Å; L96-L123 HydrophobicContact CD2-CD2 4.04Å
97	E	96.4	Very high	97.4	Very high	128 Å²	128	47.3 Å²	47.3	60%	0.598	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-73.9	-16.9	176	69.7	177.9	177.1	0	0	113.7	H68 C95 Y125	H68-E97 IonicContact CE1-OE1 3.65Å; C95-E97 PolarHBondContact O-N 2.86Å; C95-E97 VanDerWaalsContact O-N 3.16Å; E97-Y125 WeakPolarHBondContact O-CE2 3.31Å
98	S	96	Very high	97.3	Very high	12 Å²	12	44.2 Å²	44.2	8%	0.084	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-120.1	19.7	-172.5	53.1	0	0	0	0	113.6	H68 L72 F73 T74 C95 L96	H68-S98 PolarHBondContact ND1-OG 2.9Å; L72-S98 WeakPolarHBondContact O-CB 3.48Å; F73-S98 CarbonylContact C-O 3.53Å; F73-S98 VanDerWaalsContact CA-O 3.32Å; F73-S98 WeakPolarHBondContact CA-O 3.32Å; F73-S98 WeakPolarHBondContact CD2-O 3.12Å; F73-S98 VanDerWaalsContact CE2-C 3.47Å; F73-S98 WeakPolarHBondContact CG-O 3.4Å; T74-S98 PolarHBondContact N-O 3.41Å; C95-S98 PolarHBondContact O-N 2.93Å; C95-S98 PolarHBondContact O-OG 3.1Å; L96-S98 PolarHBondContact O-N 3.44Å
99	V	98.8	Very high	97.1	Very high	1 Å²	1	45 Å²	45	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.8	176	-60.1	0	0	0	0	112.5	A64 F73 T74 I76 W85 L96 L123	A64-V99 HydrophobicContact CB-CG1 3.79Å; F73-V99 VanDerWaalsContact CZ-C 3.42Å; T74-V99 CarbonylContact O-C 3.26Å; T74-V99 WeakPolarHBondContact O-CA 3.42Å; I76-V99 HydrophobicContact CD1-CG1 4.49Å; I76-V99 HydrophobicContact CG1-CB 4.17Å; I76-V99 HydrophobicContact CG1-CG1 4.31Å; W85-V99 HydrophobicContact CZ3-CG2 4.22Å; L96-V99 HydrophobicContact CD2-CG2 4.41Å; V99-L123 HydrophobicContact CG2-CD2 3.72Å
100	A	98.9	Very high	97.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.4	167.6	0	0	0	0	0	110.8	F73 T74 I76 Y125 C127 M155	F73-A100 HydrophobicContact CE1-CB 3.76Å; F73-A100 HydrophobicContact CZ-CB 4.1Å; T74-A100 PolarHBondContact O-N 3.11Å; I76-A100 PolarHBondContact N-O 3.37Å; A100-Y125 WeakPolarHBondContact CA-O 3.18Å; A100-C127 HydrophobicContact CB-CB 4.19Å; A100-M155 HydrophobicContact CB-SD 4.5Å
101	V	98.8	Very high	97.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.6	166.6	58.5	0	0	0	0	108.9	W85 I113 I116 V117 L123 Y125 I126 C127	W85-V101 HydrophobicContact CH2-CB 4.16Å; W85-V101 HydrophobicContact CZ2-CB 3.91Å; W85-V101 HydrophobicContact CZ2-CG2 3.95Å; V101-I113 HydrophobicContact CG2-CG2 4.1Å; V101-I116 HydrophobicContact CG2-CB 4.43Å; V101-I116 HydrophobicContact CG2-CD1 4.09Å; V101-I116 HydrophobicContact CG2-CG2 3.94Å; V101-V117 HydrophobicContact CG1-CG2 3.98Å; V101-L123 HydrophobicContact CB-CD1 4.41Å; V101-L123 HydrophobicContact CG1-CD1 4.49Å; V101-Y125 PolarHBondContact N-O 2.9Å; V101-Y125 VanDerWaalsContact N-O 3.14Å; V101-I126 HydrophobicContact CG1-CG1 4.11Å; V101-I126 CarbonylContact O-C 3.49Å; V101-I126 WeakPolarHBondContact O-CA 3.47Å; V101-C127 PolarHBondContact O-N 2.87Å
102	S	98.8	Very high	97.1	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	150.3	-178.1	-53.7	0	0	0	0	113	N54 I76 K78 C127	N54-S102 WeakPolarHBondContact CB-OG 3.41Å; I76-S102 WeakPolarHBondContact O-CB 3.43Å; I76-S102 PolarHBondContact O-OG 3.49Å; K78-S102 VanDerWaalsContact CB-O 3.24Å; K78-S102 WeakPolarHBondContact CB-O 3.18Å; S102-C127 CarbonylContact C-O 3.59Å; S102-C127 WeakPolarHBondContact CA-O 3.26Å
103	T	98.6	Very high	97.1	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.8	176.4	-160.4	0	0	0	0	112	D109 I113 C127 V128 D129 F141	T103-D109 WeakPolarHBondContact OG1-CB 3.27Å; T103-D109 PolarHBondContact OG1-O 2.6Å; T103-I113 VanDerWaalsContact CB-CG2 3.45Å; T103-I113 HydrophobicContact CG2-CD1 3.88Å; T103-I113 HydrophobicContact CG2-CG2 4.37Å; T103-C127 PolarHBondContact N-O 3.03Å; T103-V128 HydrophobicContact CG2-CB 4.19Å; T103-V128 HydrophobicContact CG2-CG1 3.96Å; T103-V128 HydrophobicContact CG2-CG2 3.99Å; T103-D129 PolarHBondContact O-N 2.88Å; T103-F141 HydrophobicContact CG2-CE1 3.83Å; T103-F141 HydrophobicContact CG2-CZ 4.23Å
104	G	96.8	Very high	97.1	Very high	5 Å²	5	40.5 Å²	40.5	5%	0.052	22%	0.217	C	C	.	.			trans	-105	-155	163.1	0	0	0	0	0	110.5	D109 F141	G104-D109 VanDerWaalsContact C-OD2 3.3Å; G104-D109 VanDerWaalsContact CA-OD2 3.28Å; G104-D109 WeakPolarHBondContact CA-OD2 3.37Å; G104-D109 PolarHBondContact N-OD2 2.6Å; G104-F141 WeakPolarHBondContact O-CE1 3.44Å; G104-F141 WeakPolarHBondContact O-CZ 3.29Å
105	T	96.9	Very high	97.2	Very high	40 Å²	40	37.8 Å²	37.8	25%	0.245	21%	0.21	C	C	.	.	S	Bend	trans	-117.4	21.7	173.9	66.4	0	0	0	0	112	V130 F138 F141	T105-V130 HydrophobicContact CG2-CG1 3.81Å; T105-F138 HydrophobicContact CG2-CD2 3.88Å; T105-F141 HydrophobicContact CG2-CB 3.86Å; T105-F141 HydrophobicContact CG2-CD1 3.84Å; T105-F141 HydrophobicContact CG2-CD2 3.91Å; T105-F141 HydrophobicContact CG2-CE1 4.35Å; T105-F141 HydrophobicContact CG2-CE2 4.4Å; T105-F141 HydrophobicContact CG2-CG 3.59Å
106	G	93	Very high	97.2	Very high	41 Å²	41	37.9 Å²	37.9	42%	0.423	21%	0.21	S	C	.	.	S	Bend	trans	-74	166.2	178.7	0	0	0	0	0	112.4	G108 D109	G106-G108 PolarHBondContact O-N 2.92Å; G106-D109 PolarHBondContact N-OD2 3.16Å; G106-D109 WeakPolarHBondContact O-CB 3.39Å; G106-D109 PolarHBondContact O-N 3.08Å; G106-D109 VanDerWaalsContact O-N 3.16Å
107	E	91.3	Very high	97.2	Very high	209 Å²	209	38.1 Å²	38.1	98%	0.977	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	130	171.4	-170.5	177.7	179.8	0	0	110.4	D109	E107-D109 VanDerWaalsContact C-N 3.25Å; E107-D109 PolarHBondContact O-N 2.89Å
108	G	95.1	Very high	97.3	Very high	37 Å²	37	37.9 Å²	37.9	38%	0.381	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-13.7	-178.8	0	0	0	0	0	115.6	G106 F110 E111 K112	G106-G108 PolarHBondContact O-N 2.92Å; G108-F110 VanDerWaalsContact C-N 3.33Å; G108-F110 PolarHBondContact O-N 3.17Å; G108-E111 WeakPolarHBondContact CA-OE2 3.28Å; G108-E111 PolarHBondContact N-OE2 3.02Å; G108-K112 VanDerWaalsContact O-CB 3.26Å; G108-K112 WeakPolarHBondContact O-CB 3.37Å; G108-K112 PolarHBondContact O-N 2.83Å
109	D	96.4	Very high	97.4	Very high	23 Å²	23	39.7 Å²	39.7	12%	0.123	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-38.5	-178.5	-88.2	-22.2	0	0	0	110.9	K78 T103 G104 G106 E107 I113	K78-D109 VanDerWaalsContact NZ-CG 3.27Å; K78-D109 IonicContact NZ-OD1 3.75Å; K78-D109 PolarHBondContact NZ-OD1 3.46Å; K78-D109 IonicContact NZ-OD2 3.68Å; K78-D109 PolarHBondContact NZ-OD2 3.06Å; T103-D109 WeakPolarHBondContact OG1-CB 3.27Å; T103-D109 PolarHBondContact OG1-O 2.6Å; G104-D109 VanDerWaalsContact C-OD2 3.3Å; G104-D109 VanDerWaalsContact CA-OD2 3.28Å; G104-D109 WeakPolarHBondContact CA-OD2 3.37Å; G104-D109 PolarHBondContact N-OD2 2.6Å; G106-D109 PolarHBondContact N-OD2 3.16Å; G106-D109 WeakPolarHBondContact O-CB 3.39Å; G106-D109 PolarHBondContact O-N 3.08Å; G106-D109 VanDerWaalsContact O-N 3.16Å; E107-D109 VanDerWaalsContact C-N 3.25Å; E107-D109 PolarHBondContact O-N 2.89Å; D109-I113 WeakPolarHBondContact O-CG1 3.38Å; D109-I113 PolarHBondContact O-N 3.17Å; D109-I113 VanDerWaalsContact O-N 3.13Å
110	F	97.6	Very high	97.3	Very high	50 Å²	50	39.7 Å²	39.7	22%	0.219	22%	0.223	C	C	.	.	H	α-helix	trans	-70.1	-43.6	179.8	-171.6	-94.4	0	0	0	112.4	G108 K112 I113 S114 F141 D144 V145 K148	G108-F110 VanDerWaalsContact C-N 3.33Å; G108-F110 PolarHBondContact O-N 3.17Å; F110-K112 VanDerWaalsContact C-N 3.33Å; F110-I113 WeakPolarHBondContact O-CG1 3.4Å; F110-S114 WeakPolarHBondContact O-CB 3.22Å; F110-S114 PolarHBondContact O-N 3.19Å; F110-S114 PolarHBondContact O-OG 3.27Å; F110-F141 HydrophobicContact CB-CE2 3.97Å; F110-F141 HydrophobicContact CB-CZ 4.14Å; F110-F141 AromaticContact CD2-CE2 3.93Å; F110-F141 HydrophobicContact CD2-CE2 3.93Å; F110-F141 AromaticContact CD2-CZ 3.85Å; F110-F141 HydrophobicContact CD2-CZ 3.85Å; F110-F141 HydrophobicContact CG-CE2 4.41Å; F110-D144 HydrophobicContact CE2-CB 4.26Å; F110-V145 HydrophobicContact CD2-CG2 4.04Å; F110-V145 HydrophobicContact CE2-CG2 3.82Å; F110-K148 HydrophobicContact CZ-CB 3.9Å; F110-K148 HydrophobicContact CZ-CG 4.09Å
111	E	98.1	Very high	97.2	Very high	121 Å²	121	44.2 Å²	44.2	57%	0.565	25%	0.253	S	S	*	.	H	α-helix	trans	-63.5	-42.4	176	-66.2	72.2	-160.8	0	0	110.4	G108 S114 A115	G108-E111 WeakPolarHBondContact CA-OE2 3.28Å; G108-E111 PolarHBondContact N-OE2 3.02Å; E111-S114 WeakPolarHBondContact O-CB 3.46Å; E111-S114 PolarHBondContact O-N 2.65Å; E111-A115 PolarHBondContact O-N 2.92Å
112	K	98.2	Very high	97.2	Very high	65 Å²	65	49.2 Å²	49.2	28%	0.283	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-48.4	179.1	-174.9	178.8	-178.9	-178.1	0	111.8	K78 Y80 G108 F110 S114 A115 I116	K78-K112 PolarHBondContact O-NZ 2.82Å; Y80-K112 WeakPolarHBondContact O-CE 3.41Å; Y80-K112 PolarHBondContact O-NZ 3.16Å; G108-K112 VanDerWaalsContact O-CB 3.26Å; G108-K112 WeakPolarHBondContact O-CB 3.37Å; G108-K112 PolarHBondContact O-N 2.83Å; F110-K112 VanDerWaalsContact C-N 3.33Å; K112-S114 VanDerWaalsContact C-N 3.28Å; K112-S114 PolarHBondContact O-N 3.12Å; K112-A115 PolarHBondContact O-N 2.9Å; K112-I116 HydrophobicContact CG-CD1 4Å; K112-I116 WeakPolarHBondContact O-CG1 3.28Å; K112-I116 PolarHBondContact O-N 3.03Å
113	I	98.1	Very high	97.2	Very high	3 Å²	3	49 Å²	49	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-33.2	177.2	58.7	163.7	0	0	0	112.7	V101 T103 D109 F110 I116 V117 I126 V145 F149	V101-I113 HydrophobicContact CG2-CG2 4.1Å; T103-I113 VanDerWaalsContact CB-CG2 3.45Å; T103-I113 HydrophobicContact CG2-CD1 3.88Å; T103-I113 HydrophobicContact CG2-CG2 4.37Å; D109-I113 WeakPolarHBondContact O-CG1 3.38Å; D109-I113 PolarHBondContact O-N 3.17Å; D109-I113 VanDerWaalsContact O-N 3.13Å; F110-I113 WeakPolarHBondContact O-CG1 3.4Å; I113-I116 PolarHBondContact O-N 3.11Å; I113-V117 WeakPolarHBondContact O-CB 3.49Å; I113-V117 WeakPolarHBondContact O-CG2 3.43Å; I113-V117 PolarHBondContact O-N 3.47Å; I113-I126 HydrophobicContact CD1-CG2 4.4Å; I113-V145 HydrophobicContact CD1-CG2 4.36Å; I113-F149 HydrophobicContact CD1-CE2 4.21Å
114	S	98.3	Very high	97.1	Very high	11 Å²	11	54.9 Å²	54.9	8%	0.077	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-47.7	175.5	-60.3	0	0	0	0	110.9	F110 E111 K112 I116 V117 E118	F110-S114 WeakPolarHBondContact O-CB 3.22Å; F110-S114 PolarHBondContact O-N 3.19Å; F110-S114 PolarHBondContact O-OG 3.27Å; E111-S114 WeakPolarHBondContact O-CB 3.46Å; E111-S114 PolarHBondContact O-N 2.65Å; K112-S114 VanDerWaalsContact C-N 3.28Å; K112-S114 PolarHBondContact O-N 3.12Å; S114-I116 PolarHBondContact O-N 3.21Å; S114-V117 PolarHBondContact O-N 2.82Å; S114-E118 VanDerWaalsContact O-CB 3.27Å; S114-E118 WeakPolarHBondContact O-CB 3.48Å; S114-E118 WeakPolarHBondContact O-CG 3.48Å; S114-E118 PolarHBondContact O-N 3.05Å
115	A	98.6	Very high	97.2	Very high	31 Å²	31	55.1 Å²	55.1	26%	0.256	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-40.8	176.7	0	0	0	0	0	112.7	I82 E111 K112 E118 S119	I82-A115 HydrophobicContact CD1-CB 3.55Å; I82-A115 HydrophobicContact CG1-CB 4.12Å; E111-A115 PolarHBondContact O-N 2.92Å; K112-A115 PolarHBondContact O-N 2.9Å; A115-E118 PolarHBondContact O-N 3.32Å; A115-S119 WeakPolarHBondContact O-CB 3.33Å; A115-S119 PolarHBondContact O-N 2.98Å; A115-S119 PolarHBondContact O-OG 2.85Å
116	I	98.6	Very high	97.3	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-51	177.1	-68.6	164.2	0	0	0	110.8	I82 W85 V101 K112 I113 S114 E118 S119 V120 L123	I82-I116 HydrophobicContact CG1-CG1 3.92Å; W85-I116 HydrophobicContact CB-CG2 4.14Å; W85-I116 HydrophobicContact CD2-CG2 3.88Å; W85-I116 HydrophobicContact CG-CG1 4.45Å; W85-I116 HydrophobicContact CG-CG2 3.68Å; V101-I116 HydrophobicContact CG2-CB 4.43Å; V101-I116 HydrophobicContact CG2-CD1 4.09Å; V101-I116 HydrophobicContact CG2-CG2 3.94Å; K112-I116 HydrophobicContact CG-CD1 4Å; K112-I116 WeakPolarHBondContact O-CG1 3.28Å; K112-I116 PolarHBondContact O-N 3.03Å; I113-I116 PolarHBondContact O-N 3.11Å; S114-I116 PolarHBondContact O-N 3.21Å; I116-E118 VanDerWaalsContact C-N 3.32Å; I116-E118 PolarHBondContact O-N 3.25Å; I116-S119 WeakPolarHBondContact CA-OG 3.2Å; I116-S119 PolarHBondContact O-N 3.32Å; I116-S119 VanDerWaalsContact O-N 3.16Å; I116-S119 PolarHBondContact O-OG 2.98Å; I116-V120 PolarHBondContact O-N 3.06Å; I116-L123 HydrophobicContact CG2-CD1 3.87Å
117	V	98.1	Very high	97.6	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.055	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-37.6	-179.5	171.2	0	0	0	0	111.5	V101 I113 S114 S119 V120 P121 F149 H152	V101-V117 HydrophobicContact CG1-CG2 3.98Å; I113-V117 WeakPolarHBondContact O-CB 3.49Å; I113-V117 WeakPolarHBondContact O-CG2 3.43Å; I113-V117 PolarHBondContact O-N 3.47Å; S114-V117 PolarHBondContact O-N 2.82Å; V117-S119 VanDerWaalsContact C-N 3.35Å; V117-V120 CarbonylContact O-C 3.54Å; V117-V120 VanDerWaalsContact O-C 3.26Å; V117-V120 PolarHBondContact O-N 3.11Å; V117-P121 WeakPolarHBondContact O-CA 3.36Å; V117-F149 HydrophobicContact CB-CE1 3.93Å; V117-F149 HydrophobicContact CB-CZ 4.49Å; V117-F149 HydrophobicContact CG1-CD1 3.9Å; V117-F149 HydrophobicContact CG1-CE1 3.69Å; V117-F149 HydrophobicContact CG2-CE1 4.36Å; V117-H152 WeakPolarHBondContact CG1-NE2 3.27Å
118	E	97.8	Very high	98	Very high	123 Å²	123	41.3 Å²	41.3	58%	0.575	22%	0.221	S	C	*	.	H	α-helix	trans	-66.1	-36.7	174.8	-73.4	170.1	-170.2	0	0	111.8	S114 A115 I116 K148	S114-E118 VanDerWaalsContact O-CB 3.27Å; S114-E118 WeakPolarHBondContact O-CB 3.48Å; S114-E118 WeakPolarHBondContact O-CG 3.48Å; S114-E118 PolarHBondContact O-N 3.05Å; A115-E118 PolarHBondContact O-N 3.32Å; I116-E118 VanDerWaalsContact C-N 3.32Å; I116-E118 PolarHBondContact O-N 3.25Å; E118-K148 IonicContact OE1-NZ 2.92Å; E118-K148 PolarHBondContact OE1-NZ 3.43Å
119	S	98.3	Very high	98.1	Very high	49 Å²	49	41.6 Å²	41.6	34%	0.343	21%	0.214	S	C	.	.	H	α-helix	trans	-74.7	-30.6	176.2	70.5	0	0	0	0	114	A115 I116 V117 P121	A115-S119 WeakPolarHBondContact O-CB 3.33Å; A115-S119 PolarHBondContact O-N 2.98Å; A115-S119 PolarHBondContact O-OG 2.85Å; I116-S119 WeakPolarHBondContact CA-OG 3.2Å; I116-S119 PolarHBondContact O-N 3.32Å; I116-S119 VanDerWaalsContact O-N 3.16Å; I116-S119 PolarHBondContact O-OG 2.98Å; V117-S119 VanDerWaalsContact C-N 3.35Å; S119-P121 WeakPolarHBondContact O-CD 3.11Å
120	V	98.4	Very high	98.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.215	C	C	.	.			trans	-128	74.5	-178.4	-169.4	0	0	0	0	110	W85 A89 L96 I116 V117 Q122 L123	W85-V120 HydrophobicContact CB-CG2 4.33Å; A89-V120 HydrophobicContact CB-CB 4.41Å; A89-V120 HydrophobicContact CB-CG1 3.5Å; A89-V120 HydrophobicContact CB-CG2 3.93Å; L96-V120 HydrophobicContact CD1-CG1 4.03Å; L96-V120 HydrophobicContact CD2-CG1 4.25Å; I116-V120 PolarHBondContact O-N 3.06Å; V117-V120 CarbonylContact O-C 3.54Å; V117-V120 VanDerWaalsContact O-C 3.26Å; V117-V120 PolarHBondContact O-N 3.11Å; V120-Q122 PolarHBondContact O-N 2.91Å; V120-L123 HydrophobicContact CB-CD1 3.92Å; V120-L123 HydrophobicContact CB-CG 4.08Å; V120-L123 HydrophobicContact CG1-CD1 4.19Å; V120-L123 HydrophobicContact CG1-CG 3.84Å; V120-L123 WeakPolarHBondContact O-CB 3.47Å; V120-L123 WeakPolarHBondContact O-CG 3.29Å; V120-L123 PolarHBondContact O-N 3.06Å; V120-L123 VanDerWaalsContact O-N 3.08Å
121	P	96.6	Very high	97.9	Very high	95 Å²	95	42.5 Å²	42.5	62%	0.617	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.8	-173.8	25	-33.5	0	0	0	114.5	V117 S119 L123	V117-P121 WeakPolarHBondContact O-CA 3.36Å; S119-P121 WeakPolarHBondContact O-CD 3.11Å; P121-L123 VanDerWaalsContact C-N 3.27Å
122	Q	97.5	Very high	97.9	Very high	107 Å²	107	41.1 Å²	41.1	50%	0.5	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.3	172.9	-58	84.4	-10.6	0	0	112.8	L96 V120 K124	L96-Q122 HydrophobicContact CB-CB 4.32Å; L96-Q122 HydrophobicContact CD1-CB 3.81Å; L96-Q122 HydrophobicContact CD1-CG 4.25Å; V120-Q122 PolarHBondContact O-N 2.91Å; Q122-K124 PolarHBondContact O-N 2.84Å
123	L	98.4	Very high	97.9	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.214	C	C	.	.			trans	-62.7	132.5	174.7	-66.8	174.2	0	0	0	109.7	W85 L96 V99 V101 I116 V120 P121 H152	W85-L123 HydrophobicContact CE3-CD1 4.08Å; W85-L123 HydrophobicContact CE3-CD2 4.34Å; W85-L123 HydrophobicContact CH2-CD2 4.38Å; W85-L123 HydrophobicContact CZ3-CD1 4.07Å; W85-L123 HydrophobicContact CZ3-CD2 3.71Å; L96-L123 HydrophobicContact CD2-CD2 4.04Å; V99-L123 HydrophobicContact CG2-CD2 3.72Å; V101-L123 HydrophobicContact CB-CD1 4.41Å; V101-L123 HydrophobicContact CG1-CD1 4.49Å; I116-L123 HydrophobicContact CG2-CD1 3.87Å; V120-L123 HydrophobicContact CB-CD1 3.92Å; V120-L123 HydrophobicContact CB-CG 4.08Å; V120-L123 HydrophobicContact CG1-CD1 4.19Å; V120-L123 HydrophobicContact CG1-CG 3.84Å; V120-L123 WeakPolarHBondContact O-CB 3.47Å; V120-L123 WeakPolarHBondContact O-CG 3.29Å; V120-L123 PolarHBondContact O-N 3.06Å; V120-L123 VanDerWaalsContact O-N 3.08Å; P121-L123 VanDerWaalsContact C-N 3.27Å; L123-H152 PolarHBondContact O-NE2 3.38Å; L123-H152 VanDerWaalsContact O-NE2 3.11Å
124	K	98.3	Very high	97.9	Very high	126 Å²	126	41.4 Å²	41.4	55%	0.548	23%	0.227	S	C	.	.			trans	-121.6	-6.5	-176.5	-68.4	175.4	-172.8	172.5	0	113.8	Q122 T153	Q122-K124 PolarHBondContact O-N 2.84Å; K124-T153 PolarHBondContact O-N 3.46Å
125	Y	98.9	Very high	97.9	Very high	10 Å²	10	43 Å²	43	4%	0.039	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.3	-172.9	-59.4	-94	0	0	0	111	F38 S44 F73 E97 A100 V101 T153 M155	F38-Y125 AromaticContact CE2-CE1 3.74Å; F38-Y125 HydrophobicContact CE2-CE1 3.74Å; F38-Y125 HydrophobicContact CZ-CE1 4.2Å; S44-Y125 PolarHBondContact O-OH 2.85Å; F73-Y125 HydrophobicContact CE2-CD1 4.28Å; F73-Y125 AromaticContact CE2-CD2 3.82Å; F73-Y125 HydrophobicContact CE2-CD2 3.82Å; F73-Y125 HydrophobicContact CE2-CE1 4.33Å; F73-Y125 AromaticContact CE2-CE2 3.88Å; F73-Y125 HydrophobicContact CE2-CE2 3.88Å; F73-Y125 HydrophobicContact CE2-CG 4.04Å; F73-Y125 HydrophobicContact CZ-CD1 4.01Å; F73-Y125 AromaticContact CZ-CD2 3.71Å; F73-Y125 HydrophobicContact CZ-CD2 3.71Å; F73-Y125 HydrophobicContact CZ-CE2 4.26Å; F73-Y125 AromaticContact CZ-CG 3.59Å; F73-Y125 HydrophobicContact CZ-CG 3.59Å; E97-Y125 WeakPolarHBondContact O-CE2 3.31Å; A100-Y125 WeakPolarHBondContact CA-O 3.18Å; V101-Y125 PolarHBondContact N-O 2.9Å; V101-Y125 VanDerWaalsContact N-O 3.14Å; Y125-T153 VanDerWaalsContact CA-O 3.3Å; Y125-T153 WeakPolarHBondContact CA-O 3.26Å; Y125-T153 HydrophobicContact CD1-CG2 3.75Å; Y125-T153 HydrophobicContact CE1-CG2 3.82Å; Y125-M155 HydrophobicContact CD1-CE 4.1Å
126	I	98.9	Very high	97.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.8	176.3	-59.2	173.4	0	0	0	108	V101 I113 V128 V145 F149 H152 T153 M155	V101-I126 HydrophobicContact CG1-CG1 4.11Å; V101-I126 CarbonylContact O-C 3.49Å; V101-I126 WeakPolarHBondContact O-CA 3.47Å; I113-I126 HydrophobicContact CD1-CG2 4.4Å; I126-V128 HydrophobicContact CG2-CG2 4.1Å; I126-V145 HydrophobicContact CD1-CG1 4.07Å; I126-V145 HydrophobicContact CG2-CG1 4.2Å; I126-F149 HydrophobicContact CD1-CB 3.87Å; I126-F149 HydrophobicContact CD1-CD1 4.41Å; I126-F149 HydrophobicContact CD1-CD2 3.51Å; I126-F149 HydrophobicContact CD1-CE2 4.15Å; I126-F149 HydrophobicContact CD1-CG 3.67Å; I126-H152 HydrophobicContact CD1-CB 3.94Å; I126-H152 HydrophobicContact CG1-CB 4.25Å; I126-T153 PolarHBondContact N-O 3.2Å; I126-M155 PolarHBondContact O-N 3.39Å
127	C	98.9	Very high	97.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	101.3	175.2	-178	0	0	0	0	110.4	A75 A100 V101 S102 T103 M155	A75-C127 HydrophobicContact CB-CB 4.49Å; A100-C127 HydrophobicContact CB-CB 4.19Å; V101-C127 PolarHBondContact O-N 2.87Å; S102-C127 CarbonylContact C-O 3.59Å; S102-C127 WeakPolarHBondContact CA-O 3.26Å; T103-C127 PolarHBondContact N-O 3.03Å; C127-M155 HydrophobicContact CB-CB 4.39Å
128	V	98.8	Very high	97.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	111.3	174.4	-164.6	0	0	0	0	108.7	T103 I126 F138 F141 V145 I154 M155 A156 G157	T103-V128 HydrophobicContact CG2-CB 4.19Å; T103-V128 HydrophobicContact CG2-CG1 3.96Å; T103-V128 HydrophobicContact CG2-CG2 3.99Å; I126-V128 HydrophobicContact CG2-CG2 4.1Å; V128-F138 HydrophobicContact CB-CE2 4.25Å; V128-F138 HydrophobicContact CB-CZ 4.48Å; V128-F138 HydrophobicContact CG1-CD2 4.36Å; V128-F138 HydrophobicContact CG1-CE2 3.52Å; V128-F138 HydrophobicContact CG1-CZ 4.2Å; V128-F141 HydrophobicContact CG1-CD1 3.6Å; V128-F141 HydrophobicContact CG1-CE1 3.68Å; V128-V145 HydrophobicContact CG2-CG1 4.33Å; V128-V145 HydrophobicContact CG2-CG2 4.41Å; V128-I154 HydrophobicContact CG2-CG2 4.11Å; V128-M155 PolarHBondContact N-O 3.34Å; V128-A156 WeakPolarHBondContact O-CA 3.37Å; V128-G157 PolarHBondContact O-N 3.39Å; V128-G157 VanDerWaalsContact O-N 3.12Å
129	D	98.4	Very high	97.9	Very high	44 Å²	44	47.1 Å²	47.1	24%	0.235	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	118.9	-168.2	-174.1	48.4	0	0	0	111.7	N54 T103 N158 K177	N54-D129 WeakPolarHBondContact ND2-CB 3.49Å; N54-D129 PolarHBondContact ND2-OD2 2.89Å; T103-D129 PolarHBondContact O-N 2.88Å; D129-N158 PolarHBondContact OD1-OD1 2.8Å; D129-K177 WeakPolarHBondContact OD1-CE 3.27Å; D129-K177 IonicContact OD1-NZ 3.9Å; D129-K177 PolarHBondContact OD1-NZ 3.3Å
130	V	96.5	Very high	97.9	Very high	26 Å²	26	48.7 Å²	48.7	16%	0.158	25%	0.253	C	S	.	.			trans	-135.7	156.4	173.2	-61	0	0	0	0	110.5	T105 N132 F138 G157 N158	T105-V130 HydrophobicContact CG2-CG1 3.81Å; V130-N132 VanDerWaalsContact C-N 3.3Å; V130-N132 PolarHBondContact O-N 3.04Å; V130-F138 HydrophobicContact CB-CD2 4.22Å; V130-F138 HydrophobicContact CB-CE2 4.29Å; V130-F138 HydrophobicContact CG1-CD2 3.77Å; V130-F138 HydrophobicContact CG1-CE2 3.92Å; V130-F138 HydrophobicContact CG2-CB 4.4Å; V130-F138 HydrophobicContact CG2-CD1 4.24Å; V130-F138 HydrophobicContact CG2-CD2 3.37Å; V130-F138 HydrophobicContact CG2-CE1 4.35Å; V130-F138 HydrophobicContact CG2-CE2 3.49Å; V130-F138 VanDerWaalsContact CG2-CE2 3.49Å; V130-F138 HydrophobicContact CG2-CG 3.76Å; V130-F138 HydrophobicContact CG2-CZ 4.01Å; V130-G157 PolarHBondContact N-O 2.9Å; V130-G157 CarbonylContact O-C 3.53Å; V130-N158 PolarHBondContact O-N 3.49Å
131	A	93.2	Very high	98	Very high	66 Å²	66	49.5 Å²	49.5	55%	0.545	26%	0.256	S	S	.	.	S	Bend	trans	-65.8	-32.2	178.3	0	0	0	0	0	113.2
132	N	97.4	Very high	98.1	Very high	91 Å²	91	45 Å²	45	49%	0.487	23%	0.227	S	C	.	.			trans	-126.9	92.2	-178.3	-178.1	17	0	0	0	111.2	V130 Y134	V130-N132 VanDerWaalsContact C-N 3.3Å; V130-N132 PolarHBondContact O-N 3.04Å; N132-Y134 PolarHBondContact O-N 2.99Å; N132-Y134 WeakPolarHBondContact OD1-CB 3.49Å; N132-Y134 WeakPolarHBondContact OD1-CD2 3.34Å; N132-Y134 PolarHBondContact OD1-N 3.43Å
133	G	98.2	Very high	98.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-2.4	177.7	0	0	0	0	0	114.9	S135 F138 N158	G133-S135 VanDerWaalsContact C-N 3.26Å; G133-S135 PolarHBondContact O-N 2.94Å; G133-F138 WeakPolarHBondContact O-CD1 3.32Å; G133-N158 WeakPolarHBondContact CA-O 3.37Å; G133-N158 PolarHBondContact N-O 3.42Å
134	Y	98.5	Very high	98.1	Very high	74 Å²	74	48.1 Å²	48.1	29%	0.29	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	2.9	178.4	-65.4	-96.1	0	0	0	113.7	N132 V159 V160 T161 E163 M164 I180	N132-Y134 PolarHBondContact O-N 2.99Å; N132-Y134 WeakPolarHBondContact OD1-CB 3.49Å; N132-Y134 WeakPolarHBondContact OD1-CD2 3.34Å; N132-Y134 PolarHBondContact OD1-N 3.43Å; Y134-V159 HydrophobicContact CD2-CG1 4.38Å; Y134-V159 HydrophobicContact CE2-CB 3.97Å; Y134-V159 HydrophobicContact CE2-CG1 4.16Å; Y134-V160 HydrophobicContact CE2-CG2 4.34Å; Y134-V160 VanDerWaalsContact OH-CG2 3.28Å; Y134-V160 WeakPolarHBondContact OH-CG2 3.26Å; Y134-V160 PolarHBondContact OH-N 2.79Å; Y134-T161 VanDerWaalsContact CE1-OG1 3.31Å; Y134-T161 WeakPolarHBondContact CE1-OG1 3.41Å; Y134-T161 PolarHBondContact OH-N 2.81Å; Y134-T161 VanDerWaalsContact OH-N 3.07Å; Y134-T161 PolarHBondContact OH-OG1 2.96Å; Y134-E163 WeakPolarHBondContact CE1-OE1 3.45Å; Y134-M164 HydrophobicContact CD1-CB 3.8Å; Y134-M164 HydrophobicContact CD1-CG 3.66Å; Y134-M164 HydrophobicContact CD1-SD 3.92Å; Y134-M164 HydrophobicContact CE1-CB 3.52Å; Y134-M164 HydrophobicContact CE1-CG 3.87Å; Y134-M164 HydrophobicContact CG-CG 4.1Å; Y134-M164 HydrophobicContact CG-SD 4.38Å; Y134-I180 HydrophobicContact CD2-CD1 4.18Å; Y134-I180 HydrophobicContact CE2-CD1 3.72Å
135	S	98.1	Very high	98.2	Very high	46 Å²	46	42.1 Å²	42.1	32%	0.322	22%	0.217	S	C	.	.			trans	-79	132.2	179.2	-176.1	0	0	0	0	111.1	G133 H137 F138 V139	G133-S135 VanDerWaalsContact C-N 3.26Å; G133-S135 PolarHBondContact O-N 2.94Å; S135-H137 PolarHBondContact O-N 3.07Å; S135-H137 PolarHBondContact OG-N 3.18Å; S135-F138 WeakPolarHBondContact O-CA 3.28Å; S135-F138 VanDerWaalsContact O-CB 3.31Å; S135-F138 WeakPolarHBondContact O-CB 3.32Å; S135-F138 PolarHBondContact O-N 3.03Å; S135-V139 PolarHBondContact O-N 3.32Å; S135-V139 VanDerWaalsContact O-N 3.15Å
136	E	97.8	Very high	98.1	Very high	138 Å²	138	43.2 Å²	43.2	65%	0.645	22%	0.221	S	C	*	.	H	α-helix	trans	-55.6	-35.3	170.7	-175.5	178.8	-165.8	0	0	112	F138 V139 H140	E136-F138 VanDerWaalsContact C-N 3.28Å; E136-F138 PolarHBondContact O-N 2.86Å; E136-V139 PolarHBondContact O-N 3.44Å; E136-H140 PolarHBondContact O-N 3.08Å; E136-H140 IonicContact OE1-CE1 3.66Å
137	H	97.9	Very high	98.1	Very high	108 Å²	108	50.8 Å²	50.8	50%	0.5	26%	0.256	S	S	.	.	H	α-helix	trans	-59.8	-39.1	174	175.9	70	0	0	0	112.2	S135 H140 F141	S135-H137 PolarHBondContact O-N 3.07Å; S135-H137 PolarHBondContact OG-N 3.18Å; H137-H140 PolarHBondContact O-N 2.96Å; H137-F141 PolarHBondContact O-N 2.8Å
138	F	98.6	Very high	98.1	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.013	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-40.1	176.5	-179.8	-110.9	0	0	0	111.7	T105 V128 V130 G133 S135 E136 H140 F141 V142 A156 G157 L168	T105-F138 HydrophobicContact CG2-CD2 3.88Å; V128-F138 HydrophobicContact CB-CE2 4.25Å; V128-F138 HydrophobicContact CB-CZ 4.48Å; V128-F138 HydrophobicContact CG1-CD2 4.36Å; V128-F138 HydrophobicContact CG1-CE2 3.52Å; V128-F138 HydrophobicContact CG1-CZ 4.2Å; V130-F138 HydrophobicContact CB-CD2 4.22Å; V130-F138 HydrophobicContact CB-CE2 4.29Å; V130-F138 HydrophobicContact CG1-CD2 3.77Å; V130-F138 HydrophobicContact CG1-CE2 3.92Å; V130-F138 HydrophobicContact CG2-CB 4.4Å; V130-F138 HydrophobicContact CG2-CD1 4.24Å; V130-F138 HydrophobicContact CG2-CD2 3.37Å; V130-F138 HydrophobicContact CG2-CE1 4.35Å; V130-F138 HydrophobicContact CG2-CE2 3.49Å; V130-F138 VanDerWaalsContact CG2-CE2 3.49Å; V130-F138 HydrophobicContact CG2-CG 3.76Å; V130-F138 HydrophobicContact CG2-CZ 4.01Å; G133-F138 WeakPolarHBondContact O-CD1 3.32Å; S135-F138 WeakPolarHBondContact O-CA 3.28Å; S135-F138 VanDerWaalsContact O-CB 3.31Å; S135-F138 WeakPolarHBondContact O-CB 3.32Å; S135-F138 PolarHBondContact O-N 3.03Å; E136-F138 VanDerWaalsContact C-N 3.28Å; E136-F138 PolarHBondContact O-N 2.86Å; F138-H140 VanDerWaalsContact C-N 3.35Å; F138-H140 PolarHBondContact O-N 3.38Å; F138-F141 PolarHBondContact O-N 2.82Å; F138-V142 HydrophobicContact CD1-CG2 4.5Å; F138-V142 HydrophobicContact CE1-CG2 4.14Å; F138-V142 HydrophobicContact CE2-CG2 4.33Å; F138-V142 HydrophobicContact CZ-CG2 4.05Å; F138-V142 WeakPolarHBondContact O-CG2 3.17Å; F138-V142 PolarHBondContact O-N 3.34Å; F138-A156 HydrophobicContact CE1-CB 4.32Å; F138-A156 HydrophobicContact CZ-CB 4.01Å; F138-G157 WeakPolarHBondContact CZ-O 3.23Å; F138-L168 HydrophobicContact CD1-CD2 3.77Å; F138-L168 HydrophobicContact CE1-CD1 3.95Å; F138-L168 HydrophobicContact CE1-CD2 3.65Å; F138-L168 HydrophobicContact CE1-CG 4.48Å
139	V	98.7	Very high	98.1	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-44.6	174.8	-179.7	0	0	0	0	111.2	S135 E136 V142 K143 M164 E167 L168 A171	S135-V139 PolarHBondContact O-N 3.32Å; S135-V139 VanDerWaalsContact O-N 3.15Å; E136-V139 PolarHBondContact O-N 3.44Å; V139-V142 PolarHBondContact O-N 3.09Å; V139-K143 WeakPolarHBondContact O-CG 3.41Å; V139-K143 PolarHBondContact O-N 2.85Å; V139-K143 VanDerWaalsContact O-N 3.14Å; V139-M164 HydrophobicContact CG2-CE 3.32Å; V139-E167 HydrophobicContact CG1-CG 4.17Å; V139-E167 HydrophobicContact CG2-CG 4.22Å; V139-L168 HydrophobicContact CG2-CD2 4.19Å; V139-A171 HydrophobicContact CG1-CB 3.85Å
140	H	98.6	Very high	98.1	Very high	83 Å²	83	57.7 Å²	57.7	38%	0.384	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-45.4	174.7	-69.5	152.4	0	0	0	111.9	E136 H137 F138 V142 K143 D144	E136-H140 PolarHBondContact O-N 3.08Å; E136-H140 IonicContact OE1-CE1 3.66Å; H137-H140 PolarHBondContact O-N 2.96Å; F138-H140 VanDerWaalsContact C-N 3.35Å; F138-H140 PolarHBondContact O-N 3.38Å; H140-V142 VanDerWaalsContact C-N 3.3Å; H140-V142 PolarHBondContact O-N 3.34Å; H140-K143 WeakPolarHBondContact O-CA 3.29Å; H140-K143 WeakPolarHBondContact O-CB 3.34Å; H140-K143 PolarHBondContact O-N 2.84Å; H140-D144 PolarHBondContact O-N 3.03Å
141	F	98.8	Very high	98.2	Very high	17 Å²	17	60.4 Å²	60.4	8%	0.075	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-40.7	176.8	-169	-87.1	0	0	0	112.6	T103 G104 T105 F110 V128 H137 F138 K143 D144 V145	T103-F141 HydrophobicContact CG2-CE1 3.83Å; T103-F141 HydrophobicContact CG2-CZ 4.23Å; G104-F141 WeakPolarHBondContact O-CE1 3.44Å; G104-F141 WeakPolarHBondContact O-CZ 3.29Å; T105-F141 HydrophobicContact CG2-CB 3.86Å; T105-F141 HydrophobicContact CG2-CD1 3.84Å; T105-F141 HydrophobicContact CG2-CD2 3.91Å; T105-F141 HydrophobicContact CG2-CE1 4.35Å; T105-F141 HydrophobicContact CG2-CE2 4.4Å; T105-F141 HydrophobicContact CG2-CG 3.59Å; F110-F141 HydrophobicContact CB-CE2 3.97Å; F110-F141 HydrophobicContact CB-CZ 4.14Å; F110-F141 AromaticContact CD2-CE2 3.93Å; F110-F141 HydrophobicContact CD2-CE2 3.93Å; F110-F141 AromaticContact CD2-CZ 3.85Å; F110-F141 HydrophobicContact CD2-CZ 3.85Å; F110-F141 HydrophobicContact CG-CE2 4.41Å; V128-F141 HydrophobicContact CG1-CD1 3.6Å; V128-F141 HydrophobicContact CG1-CE1 3.68Å; H137-F141 PolarHBondContact O-N 2.8Å; F138-F141 PolarHBondContact O-N 2.82Å; F141-K143 VanDerWaalsContact C-N 3.32Å; F141-K143 PolarHBondContact O-N 2.93Å; F141-D144 PolarHBondContact O-N 2.93Å; F141-V145 HydrophobicContact CD1-CG2 3.72Å; F141-V145 HydrophobicContact CE1-CG2 3.41Å; F141-V145 VanDerWaalsContact CE1-CG2 3.41Å; F141-V145 HydrophobicContact CZ-CG2 4.12Å; F141-V145 VanDerWaalsContact O-CG2 3.28Å; F141-V145 WeakPolarHBondContact O-CG2 3.41Å; F141-V145 PolarHBondContact O-N 2.87Å
142	V	98.8	Very high	98.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.9	-38.4	175.4	170.4	0	0	0	0	111.8	F138 V139 H140 R146 A156 L168 A171 A173	F138-V142 HydrophobicContact CD1-CG2 4.5Å; F138-V142 HydrophobicContact CE1-CG2 4.14Å; F138-V142 HydrophobicContact CE2-CG2 4.33Å; F138-V142 HydrophobicContact CZ-CG2 4.05Å; F138-V142 WeakPolarHBondContact O-CG2 3.17Å; F138-V142 PolarHBondContact O-N 3.34Å; V139-V142 PolarHBondContact O-N 3.09Å; H140-V142 VanDerWaalsContact C-N 3.3Å; H140-V142 PolarHBondContact O-N 3.34Å; V142-R146 WeakPolarHBondContact O-CB 3.25Å; V142-R146 PolarHBondContact O-N 3.28Å; V142-A156 HydrophobicContact CG2-CB 3.9Å; V142-L168 HydrophobicContact CG2-CD2 4.27Å; V142-A171 HydrophobicContact CG1-CB 4.3Å; V142-A173 HydrophobicContact CG1-CB 4.04Å
143	K	98.8	Very high	98.5	Very high	95 Å²	95	54 Å²	54	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-46.4	174.3	-68.9	172.9	-177.6	169.6	0	111.1	V139 H140 F141 V145 R146 E147 A171	V139-K143 WeakPolarHBondContact O-CG 3.41Å; V139-K143 PolarHBondContact O-N 2.85Å; V139-K143 VanDerWaalsContact O-N 3.14Å; H140-K143 WeakPolarHBondContact O-CA 3.29Å; H140-K143 WeakPolarHBondContact O-CB 3.34Å; H140-K143 PolarHBondContact O-N 2.84Å; F141-K143 VanDerWaalsContact C-N 3.32Å; F141-K143 PolarHBondContact O-N 2.93Å; K143-V145 PolarHBondContact O-N 3.48Å; K143-R146 PolarHBondContact O-N 3.4Å; K143-E147 PolarHBondContact O-N 3Å; K143-A171 HydrophobicContact CG-CB 3.93Å; K143-A171 WeakPolarHBondContact CG-O 3.38Å
144	D	98.7	Very high	98.6	Very high	80 Å²	80	54 Å²	54	43%	0.428	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-42.8	179.7	-61.5	-18.4	0	0	0	111.3	F110 H140 F141 E147 K148	F110-D144 HydrophobicContact CE2-CB 4.26Å; H140-D144 PolarHBondContact O-N 3.03Å; F141-D144 PolarHBondContact O-N 2.93Å; D144-E147 PolarHBondContact O-N 2.88Å; D144-K148 WeakPolarHBondContact O-CB 3.47Å; D144-K148 PolarHBondContact O-N 3.28Å
145	V	98.8	Very high	98.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-42.3	174.5	174.3	0	0	0	0	110.9	F110 I113 I126 V128 F141 K143 F149 I154	F110-V145 HydrophobicContact CD2-CG2 4.04Å; F110-V145 HydrophobicContact CE2-CG2 3.82Å; I113-V145 HydrophobicContact CD1-CG2 4.36Å; I126-V145 HydrophobicContact CD1-CG1 4.07Å; I126-V145 HydrophobicContact CG2-CG1 4.2Å; V128-V145 HydrophobicContact CG2-CG1 4.33Å; V128-V145 HydrophobicContact CG2-CG2 4.41Å; F141-V145 HydrophobicContact CD1-CG2 3.72Å; F141-V145 HydrophobicContact CE1-CG2 3.41Å; F141-V145 VanDerWaalsContact CE1-CG2 3.41Å; F141-V145 HydrophobicContact CZ-CG2 4.12Å; F141-V145 VanDerWaalsContact O-CG2 3.28Å; F141-V145 WeakPolarHBondContact O-CG2 3.41Å; F141-V145 PolarHBondContact O-N 2.87Å; K143-V145 PolarHBondContact O-N 3.48Å; V145-F149 HydrophobicContact CG1-CD2 3.99Å; V145-F149 WeakPolarHBondContact O-CB 3.06Å; V145-F149 WeakPolarHBondContact O-CD2 3.4Å; V145-F149 PolarHBondContact O-N 3.03Å; V145-I154 HydrophobicContact CB-CD1 4.48Å; V145-I154 HydrophobicContact CG1-CD1 3.8Å; V145-I154 HydrophobicContact CG1-CG1 4.28Å
146	R	98.8	Very high	98.6	Very high	33 Å²	33	48.4 Å²	48.4	13%	0.125	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-42.8	175.2	169.1	56.1	66.1	-154.5	-5.2	111.7	V142 K143 F149 P150 H152 I154 G172 D174	V142-R146 WeakPolarHBondContact O-CB 3.25Å; V142-R146 PolarHBondContact O-N 3.28Å; K143-R146 PolarHBondContact O-N 3.4Å; R146-F149 PolarHBondContact NH1-O 2.99Å; R146-F149 CarbonylContact O-C 3.38Å; R146-F149 PolarHBondContact O-N 3.11Å; R146-P150 PolarHBondContact NH1-O 3.13Å; R146-P150 WeakPolarHBondContact O-CA 3.41Å; R146-H152 PolarHBondContact NH1-O 3.47Å; R146-H152 PolarHBondContact NH2-O 3.04Å; R146-I154 HydrophobicContact CB-CD1 3.94Å; R146-G172 VanDerWaalsContact CZ-O 3.31Å; R146-G172 PolarHBondContact NE-O 3.22Å; R146-G172 PolarHBondContact NH2-O 3.29Å; R146-D174 IonicContact CZ-OD2 2.67Å; R146-D174 IonicContact NH2-OD1 3.8Å; R146-D174 IonicContact NH2-OD2 2.77Å; R146-D174 PolarHBondContact NH2-OD2 2.93Å
147	E	98.7	Very high	98.7	Very high	160 Å²	160	41.8 Å²	41.8	75%	0.748	21%	0.21	S	C	*	.	H	α-helix	trans	-62.6	-45.5	179.2	-175.8	173.2	-179.3	0	0	111.6	K143 D144	K143-E147 PolarHBondContact O-N 3Å; D144-E147 PolarHBondContact O-N 2.88Å
148	K	98.6	Very high	98.7	Very high	94 Å²	94	37.3 Å²	37.3	41%	0.409	19%	0.189	S	C	.	.	H	α-helix	trans	-69.8	-36.1	178	178	68.3	177.5	-179.3	0	112.8	F110 E118 D144 P150	F110-K148 HydrophobicContact CZ-CB 3.9Å; F110-K148 HydrophobicContact CZ-CG 4.09Å; E118-K148 IonicContact OE1-NZ 2.92Å; E118-K148 PolarHBondContact OE1-NZ 3.43Å; D144-K148 WeakPolarHBondContact O-CB 3.47Å; D144-K148 PolarHBondContact O-N 3.28Å; K148-P150 VanDerWaalsContact C-CD 3.45Å; K148-P150 WeakPolarHBondContact O-CD 3.46Å
149	F	98.6	Very high	98.7	Very high	10 Å²	10	37.1 Å²	37.1	4%	0.044	19%	0.189	C	C	.	.			trans	-122.6	65.5	-175.2	-52.9	-71.5	0	0	0	112.5	I113 V117 I126 V145 R146 S151 H152	I113-F149 HydrophobicContact CD1-CE2 4.21Å; V117-F149 HydrophobicContact CB-CE1 3.93Å; V117-F149 HydrophobicContact CB-CZ 4.49Å; V117-F149 HydrophobicContact CG1-CD1 3.9Å; V117-F149 HydrophobicContact CG1-CE1 3.69Å; V117-F149 HydrophobicContact CG2-CE1 4.36Å; I126-F149 HydrophobicContact CD1-CB 3.87Å; I126-F149 HydrophobicContact CD1-CD1 4.41Å; I126-F149 HydrophobicContact CD1-CD2 3.51Å; I126-F149 HydrophobicContact CD1-CE2 4.15Å; I126-F149 HydrophobicContact CD1-CG 3.67Å; V145-F149 HydrophobicContact CG1-CD2 3.99Å; V145-F149 WeakPolarHBondContact O-CB 3.06Å; V145-F149 WeakPolarHBondContact O-CD2 3.4Å; V145-F149 PolarHBondContact O-N 3.03Å; R146-F149 PolarHBondContact NH1-O 2.99Å; R146-F149 CarbonylContact O-C 3.38Å; R146-F149 PolarHBondContact O-N 3.11Å; F149-S151 VanDerWaalsContact C-N 3.25Å; F149-S151 PolarHBondContact O-N 3.02Å; F149-S151 VanDerWaalsContact O-N 3.12Å; F149-H152 HydrophobicContact CB-CB 3.85Å; F149-H152 PolarHBondContact O-N 2.83Å; F149-H152 VanDerWaalsContact O-N 3.08Å
150	P	98.5	Very high	98.7	Very high	84 Å²	84	37.5 Å²	37.5	55%	0.545	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.2	-169.2	24.7	-35.3	0	0	0	114	R146 K148	R146-P150 PolarHBondContact NH1-O 3.13Å; R146-P150 WeakPolarHBondContact O-CA 3.41Å; K148-P150 VanDerWaalsContact C-CD 3.45Å; K148-P150 WeakPolarHBondContact O-CD 3.46Å
151	S	98.1	Very high	98.7	Very high	84 Å²	84	34.6 Å²	34.6	59%	0.587	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-10.3	179.3	57.9	0	0	0	0	114.5	F149	F149-S151 VanDerWaalsContact C-N 3.25Å; F149-S151 PolarHBondContact O-N 3.02Å; F149-S151 VanDerWaalsContact O-N 3.12Å
152	H	98.8	Very high	98.7	Very high	20 Å²	20	34.2 Å²	34.2	9%	0.093	18%	0.179	C	C	.	.	S	Bend	trans	-79.4	143.2	-178.4	-71.4	58.9	0	0	0	110.2	S41 V117 L123 I126 R146 F149	S41-H152 WeakPolarHBondContact CB-O 3.34Å; V117-H152 WeakPolarHBondContact CG1-NE2 3.27Å; L123-H152 PolarHBondContact O-NE2 3.38Å; L123-H152 VanDerWaalsContact O-NE2 3.11Å; I126-H152 HydrophobicContact CD1-CB 3.94Å; I126-H152 HydrophobicContact CG1-CB 4.25Å; R146-H152 PolarHBondContact NH1-O 3.47Å; R146-H152 PolarHBondContact NH2-O 3.04Å; F149-H152 HydrophobicContact CB-CB 3.85Å; F149-H152 PolarHBondContact O-N 2.83Å; F149-H152 VanDerWaalsContact O-N 3.08Å
153	T	98.9	Very high	98.7	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.3	171.9	-59	0	0	0	0	109.2	F38 S41 K124 Y125 I126 D174 I175	F38-T153 HydrophobicContact CB-CG2 4.26Å; F38-T153 HydrophobicContact CD1-CG2 4.09Å; F38-T153 HydrophobicContact CD2-CG2 3.41Å; F38-T153 VanDerWaalsContact CD2-CG2 3.41Å; F38-T153 VanDerWaalsContact CD2-OG1 3.28Å; F38-T153 WeakPolarHBondContact CD2-OG1 3.48Å; F38-T153 HydrophobicContact CE1-CG2 4.3Å; F38-T153 HydrophobicContact CE2-CG2 3.64Å; F38-T153 HydrophobicContact CG-CG2 3.65Å; F38-T153 HydrophobicContact CZ-CG2 4.08Å; S41-T153 PolarHBondContact OG-OG1 3.28Å; K124-T153 PolarHBondContact O-N 3.46Å; Y125-T153 VanDerWaalsContact CA-O 3.3Å; Y125-T153 WeakPolarHBondContact CA-O 3.26Å; Y125-T153 HydrophobicContact CD1-CG2 3.75Å; Y125-T153 HydrophobicContact CE1-CG2 3.82Å; I126-T153 PolarHBondContact N-O 3.2Å; T153-D174 VanDerWaalsContact CA-OD2 3.28Å; T153-D174 WeakPolarHBondContact CA-OD2 3.31Å; T153-D174 HydrophobicContact CG2-CB 3.76Å; T153-I175 HydrophobicContact CG2-CD1 3.85Å; T153-I175 HydrophobicContact CG2-CG1 4.25Å
154	I	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.2	-172.5	-62.3	171.2	0	0	0	109.7	V128 V145 R146 A173 D174 I175	V128-I154 HydrophobicContact CG2-CG2 4.11Å; V145-I154 HydrophobicContact CB-CD1 4.48Å; V145-I154 HydrophobicContact CG1-CD1 3.8Å; V145-I154 HydrophobicContact CG1-CG1 4.28Å; R146-I154 HydrophobicContact CB-CD1 3.94Å; I154-A173 HydrophobicContact CG2-CB 4.35Å; I154-D174 PolarHBondContact N-OD2 2.96Å; I154-D174 PolarHBondContact O-N 3.28Å; I154-I175 PolarHBondContact O-N 2.95Å; I154-I175 VanDerWaalsContact O-N 3.07Å
155	M	98.9	Very high	98.7	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.5	163.9	-52.4	173.8	-174	0	0	108.3	I51 F73 A100 Y125 I126 C127 V128 I175 I217	I51-M155 HydrophobicContact CD1-CE 4.32Å; I51-M155 HydrophobicContact CD1-SD 4.39Å; F73-M155 HydrophobicContact CD1-CE 4.24Å; F73-M155 HydrophobicContact CE1-CE 3.61Å; F73-M155 HydrophobicContact CZ-CE 3.82Å; A100-M155 HydrophobicContact CB-SD 4.5Å; Y125-M155 HydrophobicContact CD1-CE 4.1Å; I126-M155 PolarHBondContact O-N 3.39Å; C127-M155 HydrophobicContact CB-CB 4.39Å; V128-M155 PolarHBondContact N-O 3.34Å; M155-I175 CarbonylContact C-O 3.58Å; M155-I175 WeakPolarHBondContact CA-O 3.38Å; M155-I175 HydrophobicContact CE-CD1 4.11Å; M155-I175 HydrophobicContact CG-CB 4.15Å; M155-I175 HydrophobicContact CG-CD1 4Å; M155-I217 HydrophobicContact CB-CD1 4.12Å; M155-I217 HydrophobicContact CG-CD1 3.91Å; M155-I217 HydrophobicContact SD-CD1 3.73Å
156	A	98.9	Very high	98.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.5	179.9	0	0	0	0	0	111.9	V128 F138 V142 A173 I175 I176 K177	V128-A156 WeakPolarHBondContact O-CA 3.37Å; F138-A156 HydrophobicContact CE1-CB 4.32Å; F138-A156 HydrophobicContact CZ-CB 4.01Å; V142-A156 HydrophobicContact CG2-CB 3.9Å; A156-A173 HydrophobicContact CB-CB 3.68Å; A156-I175 PolarHBondContact N-O 3.48Å; A156-I176 CarbonylContact O-C 3.53Å; A156-I176 WeakPolarHBondContact O-CA 3.44Å; A156-K177 PolarHBondContact O-N 2.96Å
157	G	98.6	Very high	98.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	-177.2	176.4	0	0	0	0	0	114	V128 V130 F138	V128-G157 PolarHBondContact O-N 3.39Å; V128-G157 VanDerWaalsContact O-N 3.12Å; V130-G157 PolarHBondContact N-O 2.9Å; V130-G157 CarbonylContact O-C 3.53Å; F138-G157 WeakPolarHBondContact CZ-O 3.23Å
158	N	98.6	Very high	98.7	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.07	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-106.9	146.7	10.8	-71.8	25.5	0	0	0	114.6	D129 V130 G133 K177 G179 I180 D219	D129-N158 PolarHBondContact OD1-OD1 2.8Å; V130-N158 PolarHBondContact O-N 3.49Å; G133-N158 WeakPolarHBondContact CA-O 3.37Å; G133-N158 PolarHBondContact N-O 3.42Å; N158-K177 WeakPolarHBondContact CA-O 3.31Å; N158-K177 WeakPolarHBondContact OD1-CB 3.47Å; N158-K177 WeakPolarHBondContact OD1-CE 3.43Å; N158-K177 PolarHBondContact OD1-NZ 2.58Å; N158-K177 VanDerWaalsContact OD1-NZ 3.09Å; N158-G179 VanDerWaalsContact CB-O 3.31Å; N158-G179 WeakPolarHBondContact CB-O 3.49Å; N158-G179 PolarHBondContact ND2-O 2.83Å; N158-I180 HydrophobicContact CB-CG1 4.24Å; N158-D219 PolarHBondContact ND2-OD2 2.81Å
159	V	98.8	Very high	98.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	171.5	174.2	-57.3	0	0	0	0	110.4	Y134 M164 V165 L168 I176 K177 V178 G179	Y134-V159 HydrophobicContact CD2-CG1 4.38Å; Y134-V159 HydrophobicContact CE2-CB 3.97Å; Y134-V159 HydrophobicContact CE2-CG1 4.16Å; V159-M164 HydrophobicContact CB-CB 4.11Å; V159-M164 HydrophobicContact CB-CG 4.12Å; V159-M164 HydrophobicContact CG1-CB 3.93Å; V159-M164 HydrophobicContact CG1-CG 3.38Å; V159-V165 HydrophobicContact CG2-CG2 3.8Å; V159-L168 HydrophobicContact CG1-CD1 3.75Å; V159-L168 HydrophobicContact CG2-CD1 4.49Å; V159-I176 HydrophobicContact CG2-CG2 3.41Å; V159-I176 VanDerWaalsContact CG2-CG2 3.41Å; V159-K177 PolarHBondContact N-O 3.18Å; V159-K177 VanDerWaalsContact N-O 3.13Å; V159-V178 CarbonylContact O-C 3.52Å; V159-V178 VanDerWaalsContact O-CA 3.26Å; V159-V178 WeakPolarHBondContact O-CA 3.3Å; V159-G179 PolarHBondContact O-N 2.91Å
160	V	98.8	Very high	98.8	Very high	11 Å²	11	30.8 Å²	30.8	7%	0.067	17%	0.168	C	C	.	.			trans	-139.4	3.2	-178.6	-71.2	0	0	0	0	114.8	Y134 I180 Y196 A201	Y134-V160 HydrophobicContact CE2-CG2 4.34Å; Y134-V160 VanDerWaalsContact OH-CG2 3.28Å; Y134-V160 WeakPolarHBondContact OH-CG2 3.26Å; Y134-V160 PolarHBondContact OH-N 2.79Å; V160-I180 HydrophobicContact CG1-CB 3.81Å; V160-I180 HydrophobicContact CG1-CD1 4.44Å; V160-I180 HydrophobicContact CG1-CG1 3.96Å; V160-I180 HydrophobicContact CG2-CD1 4.36Å; V160-Y196 HydrophobicContact CB-CD2 4.39Å; V160-Y196 HydrophobicContact CB-CG 4.11Å; V160-Y196 HydrophobicContact CG2-CD2 4.14Å; V160-Y196 HydrophobicContact CG2-CG 4.26Å; V160-A201 HydrophobicContact CB-CB 4.1Å; V160-A201 HydrophobicContact CG1-CB 4.28Å
161	T	98.7	Very high	98.8	Very high	22 Å²	22	27.3 Å²	27.3	14%	0.135	15%	0.147	C	C	.	.	S	Bend	trans	-134.8	155.9	-175.9	53.9	0	0	0	0	112	Y134 E163 V165 Y196 E204 C205	Y134-T161 VanDerWaalsContact CE1-OG1 3.31Å; Y134-T161 WeakPolarHBondContact CE1-OG1 3.41Å; Y134-T161 PolarHBondContact OH-N 2.81Å; Y134-T161 VanDerWaalsContact OH-N 3.07Å; Y134-T161 PolarHBondContact OH-OG1 2.96Å; T161-E163 WeakPolarHBondContact CB-OE2 3.39Å; T161-E163 PolarHBondContact O-N 3.22Å; T161-E163 PolarHBondContact OG1-OE1 2.93Å; T161-E163 PolarHBondContact OG1-OE2 3.08Å; T161-V165 WeakPolarHBondContact O-CG2 3.41Å; T161-V165 PolarHBondContact O-N 2.8Å; T161-Y196 HydrophobicContact CG2-CD2 4.32Å; T161-Y196 HydrophobicContact CG2-CE2 4Å; T161-E204 WeakPolarHBondContact CA-OE1 3.24Å; T161-E204 WeakPolarHBondContact CB-OE1 3.33Å; T161-C205 PolarHBondContact N-SG 2.97Å
162	G	98.6	Very high	98.8	Very high	8 Å²	8	23.6 Å²	23.6	8%	0.082	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-36.6	-171.4	0	0	0	0	0	115	M164 V165 E166 E204	G162-M164 VanDerWaalsContact C-N 3.34Å; G162-M164 PolarHBondContact O-N 2.86Å; G162-V165 WeakPolarHBondContact O-CB 3.47Å; G162-V165 PolarHBondContact O-N 3.05Å; G162-E166 WeakPolarHBondContact O-CG 3.3Å; G162-E166 PolarHBondContact O-N 3.15Å; G162-E204 PolarHBondContact N-OE1 2.99Å
163	E	98.5	Very high	98.8	Very high	105 Å²	105	22.6 Å²	22.6	49%	0.491	12%	0.117	S	C	.	.	H	α-helix	trans	-64	-40.9	-177.3	85	-66.1	177.6	0	0	112	Y134 T161 V165 E166 E167	Y134-E163 WeakPolarHBondContact CE1-OE1 3.45Å; T161-E163 WeakPolarHBondContact CB-OE2 3.39Å; T161-E163 PolarHBondContact O-N 3.22Å; T161-E163 PolarHBondContact OG1-OE1 2.93Å; T161-E163 PolarHBondContact OG1-OE2 3.08Å; E163-V165 VanDerWaalsContact C-N 3.35Å; E163-E166 PolarHBondContact O-N 3.42Å; E163-E167 PolarHBondContact O-N 2.98Å
164	M	98.8	Very high	98.8	Very high	7 Å²	7	22.5 Å²	22.5	3%	0.034	12%	0.116	C	C	.	.	H	α-helix	trans	-76.6	-28.3	-179.2	-160	67.5	-126.9	0	0	111.4	Y134 V139 V159 G162 E167 L168	Y134-M164 HydrophobicContact CD1-CB 3.8Å; Y134-M164 HydrophobicContact CD1-CG 3.66Å; Y134-M164 HydrophobicContact CD1-SD 3.92Å; Y134-M164 HydrophobicContact CE1-CB 3.52Å; Y134-M164 HydrophobicContact CE1-CG 3.87Å; Y134-M164 HydrophobicContact CG-CG 4.1Å; Y134-M164 HydrophobicContact CG-SD 4.38Å; V139-M164 HydrophobicContact CG2-CE 3.32Å; V159-M164 HydrophobicContact CB-CB 4.11Å; V159-M164 HydrophobicContact CB-CG 4.12Å; V159-M164 HydrophobicContact CG1-CB 3.93Å; V159-M164 HydrophobicContact CG1-CG 3.38Å; G162-M164 VanDerWaalsContact C-N 3.34Å; G162-M164 PolarHBondContact O-N 2.86Å; M164-E167 HydrophobicContact CE-CB 3.9Å; M164-E167 HydrophobicContact CE-CG 3.8Å; M164-E167 WeakPolarHBondContact CE-OE2 2.99Å; M164-L168 HydrophobicContact CE-CD2 4.02Å; M164-L168 HydrophobicContact CE-CG 3.87Å; M164-L168 WeakPolarHBondContact O-CB 3.34Å; M164-L168 VanDerWaalsContact O-CG 3.26Å; M164-L168 WeakPolarHBondContact O-CG 3.41Å; M164-L168 PolarHBondContact O-N 3.26Å
165	V	98.9	Very high	98.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-48.9	168.4	167	0	0	0	0	110.4	V159 T161 G162 E163 L168 I169 I176 C205 A208 A209	V159-V165 HydrophobicContact CG2-CG2 3.8Å; T161-V165 WeakPolarHBondContact O-CG2 3.41Å; T161-V165 PolarHBondContact O-N 2.8Å; G162-V165 WeakPolarHBondContact O-CB 3.47Å; G162-V165 PolarHBondContact O-N 3.05Å; E163-V165 VanDerWaalsContact C-N 3.35Å; V165-L168 PolarHBondContact O-N 2.78Å; V165-I169 HydrophobicContact CG1-CD1 3.74Å; V165-I169 VanDerWaalsContact O-CG1 3.29Å; V165-I169 WeakPolarHBondContact O-CG1 3.43Å; V165-I169 PolarHBondContact O-N 2.67Å; V165-I176 HydrophobicContact CG1-CB 4.41Å; V165-I176 HydrophobicContact CG1-CG1 4.04Å; V165-I176 HydrophobicContact CG2-CB 4.34Å; V165-I176 HydrophobicContact CG2-CG2 3.87Å; V165-C205 HydrophobicContact CG2-CB 3.64Å; V165-C205 VanDerWaalsContact CG2-SG 3.54Å; V165-A208 HydrophobicContact CB-CB 4.31Å; V165-A208 HydrophobicContact CG1-CB 4.06Å; V165-A209 HydrophobicContact CG1-CB 3.72Å
166	E	98.9	Very high	98.8	Very high	89 Å²	89	22.4 Å²	22.4	42%	0.416	12%	0.116	S	C	.	.	H	α-helix	trans	-60.4	-48	178.4	-69.1	177.8	-170.1	0	0	111.2	G162 E163 L168 I169 L170 A208 L212	G162-E166 WeakPolarHBondContact O-CG 3.3Å; G162-E166 PolarHBondContact O-N 3.15Å; E163-E166 PolarHBondContact O-N 3.42Å; E166-L168 PolarHBondContact O-N 3.35Å; E166-I169 PolarHBondContact O-N 3.45Å; E166-L170 WeakPolarHBondContact O-CB 3.38Å; E166-L170 VanDerWaalsContact O-CG 3.23Å; E166-L170 WeakPolarHBondContact O-CG 3.39Å; E166-L170 PolarHBondContact O-N 3.11Å; E166-A208 HydrophobicContact CG-CB 4.22Å; E166-L212 HydrophobicContact CB-CD1 3.83Å; E166-L212 HydrophobicContact CG-CD1 3.79Å; E166-L212 HydrophobicContact CG-CG 4.49Å
167	E	98.9	Very high	98.8	Very high	90 Å²	90	22.5 Å²	22.5	42%	0.421	12%	0.116	S	C	.	.	H	α-helix	trans	-59	-46.5	179.3	-179.4	168	-165.4	0	0	112.2	V139 E163 M164 I169 L170 A171	V139-E167 HydrophobicContact CG1-CG 4.17Å; V139-E167 HydrophobicContact CG2-CG 4.22Å; E163-E167 PolarHBondContact O-N 2.98Å; M164-E167 HydrophobicContact CE-CB 3.9Å; M164-E167 HydrophobicContact CE-CG 3.8Å; M164-E167 WeakPolarHBondContact CE-OE2 2.99Å; E167-I169 PolarHBondContact O-N 2.78Å; E167-L170 PolarHBondContact O-N 3.45Å; E167-A171 VanDerWaalsContact O-CB 3.25Å; E167-A171 WeakPolarHBondContact O-CB 3.35Å; E167-A171 PolarHBondContact O-N 3.3Å
168	L	98.9	Very high	98.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.4	-37.6	179.1	-69.9	174.5	0	0	0	112.7	F138 V139 V142 V159 M164 V165 E166 A171 G172 A173 I176	F138-L168 HydrophobicContact CD1-CD2 3.77Å; F138-L168 HydrophobicContact CE1-CD1 3.95Å; F138-L168 HydrophobicContact CE1-CD2 3.65Å; F138-L168 HydrophobicContact CE1-CG 4.48Å; V139-L168 HydrophobicContact CG2-CD2 4.19Å; V142-L168 HydrophobicContact CG2-CD2 4.27Å; V159-L168 HydrophobicContact CG1-CD1 3.75Å; V159-L168 HydrophobicContact CG2-CD1 4.49Å; M164-L168 HydrophobicContact CE-CD2 4.02Å; M164-L168 HydrophobicContact CE-CG 3.87Å; M164-L168 WeakPolarHBondContact O-CB 3.34Å; M164-L168 VanDerWaalsContact O-CG 3.26Å; M164-L168 WeakPolarHBondContact O-CG 3.41Å; M164-L168 PolarHBondContact O-N 3.26Å; V165-L168 PolarHBondContact O-N 2.78Å; E166-L168 PolarHBondContact O-N 3.35Å; L168-A171 PolarHBondContact O-N 3.3Å; L168-G172 PolarHBondContact O-N 3.13Å; L168-G172 VanDerWaalsContact O-N 3.16Å; L168-A173 HydrophobicContact CB-CB 4.46Å; L168-A173 WeakPolarHBondContact O-CB 3.13Å; L168-A173 PolarHBondContact O-N 2.92Å; L168-I176 HydrophobicContact CB-CD1 3.46Å; L168-I176 VanDerWaalsContact CB-CD1 3.46Å; L168-I176 HydrophobicContact CB-CG1 4.44Å; L168-I176 HydrophobicContact CD1-CD1 4.29Å; L168-I176 HydrophobicContact CD1-CG2 4.21Å
169	I	98.9	Very high	98.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.7	-42.7	174.9	-70.6	167.3	0	0	0	110.7	N40 V165 E166 E167 A171 G172 A173 I176 A209 L212	N40-I169 PolarHBondContact ND2-O 3.04Å; V165-I169 HydrophobicContact CG1-CD1 3.74Å; V165-I169 VanDerWaalsContact O-CG1 3.29Å; V165-I169 WeakPolarHBondContact O-CG1 3.43Å; V165-I169 PolarHBondContact O-N 2.67Å; E166-I169 PolarHBondContact O-N 3.45Å; E167-I169 PolarHBondContact O-N 2.78Å; I169-A171 VanDerWaalsContact C-N 3.33Å; I169-G172 PolarHBondContact O-N 3.28Å; I169-A173 WeakPolarHBondContact CA-O 3.25Å; I169-I176 HydrophobicContact CD1-CG1 4.03Å; I169-I176 HydrophobicContact CG1-CD1 3.87Å; I169-I176 HydrophobicContact CG1-CG1 3.66Å; I169-A209 HydrophobicContact CD1-CB 3.73Å; I169-L212 HydrophobicContact CB-CD1 4.18Å; I169-L212 HydrophobicContact CD1-CD1 4.5Å; I169-L212 HydrophobicContact CG2-CB 4.04Å; I169-L212 HydrophobicContact CG2-CD1 4.05Å
170	L	98.8	Very high	98.8	Very high	109 Å²	109	22.9 Å²	22.9	57%	0.571	12%	0.119	S	C	*	.	H	α-helix	trans	-69.1	-31.7	177.3	-67.8	174.9	0	0	0	112.3	E166 E167 G172 L212	E166-L170 WeakPolarHBondContact O-CB 3.38Å; E166-L170 VanDerWaalsContact O-CG 3.23Å; E166-L170 WeakPolarHBondContact O-CG 3.39Å; E166-L170 PolarHBondContact O-N 3.11Å; E167-L170 PolarHBondContact O-N 3.45Å; L170-G172 PolarHBondContact O-N 2.97Å; L170-L212 HydrophobicContact CD2-CD1 4.48Å; L170-L212 HydrophobicContact CG-CD1 4.26Å
171	A	98.7	Very high	98.7	Very high	11 Å²	11	23 Å²	23	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-69.8	-21.1	173.9	0	0	0	0	0	113.1	V139 V142 K143 E167 L168 I169	V139-A171 HydrophobicContact CG1-CB 3.85Å; V142-A171 HydrophobicContact CG1-CB 4.3Å; K143-A171 HydrophobicContact CG-CB 3.93Å; K143-A171 WeakPolarHBondContact CG-O 3.38Å; E167-A171 VanDerWaalsContact O-CB 3.25Å; E167-A171 WeakPolarHBondContact O-CB 3.35Å; E167-A171 PolarHBondContact O-N 3.3Å; L168-A171 PolarHBondContact O-N 3.3Å; I169-A171 VanDerWaalsContact C-N 3.33Å
172	G	98.7	Very high	98.6	Very high	6 Å²	6	23 Å²	23	6%	0.062	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	132.3	-3.8	171.8	0	0	0	0	0	115.3	N40 R146 L168 I169 L170	N40-G172 PolarHBondContact ND2-O 2.8Å; R146-G172 VanDerWaalsContact CZ-O 3.31Å; R146-G172 PolarHBondContact NE-O 3.22Å; R146-G172 PolarHBondContact NH2-O 3.29Å; L168-G172 PolarHBondContact O-N 3.13Å; L168-G172 VanDerWaalsContact O-N 3.16Å; I169-G172 PolarHBondContact O-N 3.28Å; L170-G172 PolarHBondContact O-N 2.97Å
173	A	98.9	Very high	98.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.			trans	-68.1	145.8	174.7	0	0	0	0	0	111.6	N40 V142 I154 A156 L168 I169 I176	N40-A173 PolarHBondContact ND2-O 3.16Å; V142-A173 HydrophobicContact CG1-CB 4.04Å; I154-A173 HydrophobicContact CG2-CB 4.35Å; A156-A173 HydrophobicContact CB-CB 3.68Å; L168-A173 HydrophobicContact CB-CB 4.46Å; L168-A173 WeakPolarHBondContact O-CB 3.13Å; L168-A173 PolarHBondContact O-N 2.92Å; I169-A173 WeakPolarHBondContact CA-O 3.25Å; A173-I176 HydrophobicContact CB-CD1 3.59Å
174	D	98.9	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-94.4	-35	176.8	-67.9	-72.4	0	0	0	112.3	F38 N40 S41 R146 T153 I154 H215	F38-D174 HydrophobicContact CB-CB 3.96Å; F38-D174 HydrophobicContact CD1-CB 4.36Å; F38-D174 HydrophobicContact CG-CB 4.31Å; N40-D174 WeakPolarHBondContact CA-OD1 3.37Å; N40-D174 VanDerWaalsContact CB-OD1 3.31Å; N40-D174 WeakPolarHBondContact CB-OD1 3.44Å; N40-D174 PolarHBondContact N-OD1 3.49Å; S41-D174 WeakPolarHBondContact CB-OD2 3.43Å; S41-D174 PolarHBondContact N-OD1 3.19Å; R146-D174 IonicContact CZ-OD2 2.67Å; R146-D174 IonicContact NH2-OD1 3.8Å; R146-D174 IonicContact NH2-OD2 2.77Å; R146-D174 PolarHBondContact NH2-OD2 2.93Å; T153-D174 VanDerWaalsContact CA-OD2 3.28Å; T153-D174 WeakPolarHBondContact CA-OD2 3.31Å; T153-D174 HydrophobicContact CG2-CB 3.76Å; I154-D174 PolarHBondContact N-OD2 2.96Å; I154-D174 PolarHBondContact O-N 3.28Å; D174-H215 PolarHBondContact O-N 2.84Å; D174-H215 VanDerWaalsContact O-N 3.1Å
175	I	98.9	Very high	97.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	121.3	-171.3	-46	171.5	0	0	0	108.7	F38 T153 I154 M155 A156 H215 I217 F238	F38-I175 HydrophobicContact CD1-CD1 4.14Å; F38-I175 HydrophobicContact CD1-CG1 4Å; F38-I175 HydrophobicContact CE1-CD1 3.52Å; F38-I175 HydrophobicContact CE1-CG1 3.81Å; F38-I175 HydrophobicContact CZ-CD1 3.85Å; T153-I175 HydrophobicContact CG2-CD1 3.85Å; T153-I175 HydrophobicContact CG2-CG1 4.25Å; I154-I175 PolarHBondContact O-N 2.95Å; I154-I175 VanDerWaalsContact O-N 3.07Å; M155-I175 CarbonylContact C-O 3.58Å; M155-I175 WeakPolarHBondContact CA-O 3.38Å; M155-I175 HydrophobicContact CE-CD1 4.11Å; M155-I175 HydrophobicContact CG-CB 4.15Å; M155-I175 HydrophobicContact CG-CD1 4Å; A156-I175 PolarHBondContact N-O 3.48Å; I175-H215 CarbonylContact C-O 3.55Å; I175-H215 VanDerWaalsContact CA-O 3.27Å; I175-H215 WeakPolarHBondContact CA-O 3.47Å; I175-H215 HydrophobicContact CG1-CB 4.24Å; I175-H215 HydrophobicContact CG2-CB 4.16Å; I175-I217 HydrophobicContact CB-CD1 4.38Å; I175-I217 HydrophobicContact CG2-CD1 3.55Å; I175-I217 HydrophobicContact CG2-CG1 3.55Å; I175-F238 HydrophobicContact CD1-CE2 4.06Å; I175-F238 HydrophobicContact CD1-CZ 4.41Å; I175-F238 HydrophobicContact CG2-CD2 4.22Å; I175-F238 HydrophobicContact CG2-CE2 4.5Å
176	I	98.9	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.7	-178.6	-52.1	-51.2	0	0	0	110.9	A156 V159 V165 L168 I169 A173 H215 I216 I217	A156-I176 CarbonylContact O-C 3.53Å; A156-I176 WeakPolarHBondContact O-CA 3.44Å; V159-I176 HydrophobicContact CG2-CG2 3.41Å; V159-I176 VanDerWaalsContact CG2-CG2 3.41Å; V165-I176 HydrophobicContact CG1-CB 4.41Å; V165-I176 HydrophobicContact CG1-CG1 4.04Å; V165-I176 HydrophobicContact CG2-CB 4.34Å; V165-I176 HydrophobicContact CG2-CG2 3.87Å; L168-I176 HydrophobicContact CB-CD1 3.46Å; L168-I176 VanDerWaalsContact CB-CD1 3.46Å; L168-I176 HydrophobicContact CB-CG1 4.44Å; L168-I176 HydrophobicContact CD1-CD1 4.29Å; L168-I176 HydrophobicContact CD1-CG2 4.21Å; I169-I176 HydrophobicContact CD1-CG1 4.03Å; I169-I176 HydrophobicContact CG1-CD1 3.87Å; I169-I176 HydrophobicContact CG1-CG1 3.66Å; A173-I176 HydrophobicContact CB-CD1 3.59Å; I176-H215 PolarHBondContact N-O 2.69Å; I176-I216 HydrophobicContact CB-CG2 4.41Å; I176-I216 CarbonylContact O-C 3.57Å; I176-I216 VanDerWaalsContact O-CA 3.26Å; I176-I216 WeakPolarHBondContact O-CA 3.12Å; I176-I217 PolarHBondContact O-N 3.09Å
177	K	98.9	Very high	97.6	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.2	174.9	-113.9	163.5	52.4	86	0	109.6	D129 A156 N158 V159 I217 D219 M240	D129-K177 WeakPolarHBondContact OD1-CE 3.27Å; D129-K177 IonicContact OD1-NZ 3.9Å; D129-K177 PolarHBondContact OD1-NZ 3.3Å; A156-K177 PolarHBondContact O-N 2.96Å; N158-K177 WeakPolarHBondContact CA-O 3.31Å; N158-K177 WeakPolarHBondContact OD1-CB 3.47Å; N158-K177 WeakPolarHBondContact OD1-CE 3.43Å; N158-K177 PolarHBondContact OD1-NZ 2.58Å; N158-K177 VanDerWaalsContact OD1-NZ 3.09Å; V159-K177 PolarHBondContact N-O 3.18Å; V159-K177 VanDerWaalsContact N-O 3.13Å; K177-I217 HydrophobicContact CD-CD1 4.41Å; K177-I217 HydrophobicContact CG-CB 3.94Å; K177-I217 HydrophobicContact CG-CD1 3.93Å; K177-I217 HydrophobicContact CG-CG2 4.01Å; K177-D219 HydrophobicContact CG-CB 4.22Å; K177-D219 IonicContact NZ-OD2 3.78Å; K177-D219 PolarHBondContact NZ-OD2 2.81Å; K177-M240 HydrophobicContact CD-CE 3.93Å; K177-M240 HydrophobicContact CD-SD 4.12Å
178	V	98.9	Very high	97.4	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.5	-171.7	-179.4	0	0	0	0	110.3	V159 Q198 A201 C205 I216 I217 D219	V159-V178 CarbonylContact O-C 3.52Å; V159-V178 VanDerWaalsContact O-CA 3.26Å; V159-V178 WeakPolarHBondContact O-CA 3.3Å; V178-Q198 PolarHBondContact O-NE2 3.36Å; V178-A201 HydrophobicContact CG1-CB 3.93Å; V178-C205 HydrophobicContact CB-CB 4.43Å; V178-C205 HydrophobicContact CG1-CB 4Å; V178-C205 HydrophobicContact CG2-CB 3.54Å; V178-I216 HydrophobicContact CG2-CB 4.03Å; V178-I216 HydrophobicContact CG2-CD1 4.26Å; V178-I216 HydrophobicContact CG2-CG2 4.15Å; V178-I217 WeakPolarHBondContact CB-O 3.4Å; V178-I217 PolarHBondContact N-O 2.86Å; V178-D219 PolarHBondContact O-N 2.77Å
179	G	98.6	Very high	97.2	Very high	5 Å²	5	21.2 Å²	21.2	5%	0.052	13%	0.13	C	C	.	.			trans	149.4	116.6	172.5	0	0	0	0	0	113.9	N158 V159 Q198	N158-G179 VanDerWaalsContact CB-O 3.31Å; N158-G179 WeakPolarHBondContact CB-O 3.49Å; N158-G179 PolarHBondContact ND2-O 2.83Å; V159-G179 PolarHBondContact O-N 2.91Å; G179-Q198 VanDerWaalsContact CA-OE1 3.28Å
180	I	98.5	Very high	97	Very high	16 Å²	16	29.9 Å²	29.9	8%	0.082	17%	0.168	C	C	.	.	S	Bend	trans	-122.1	115.4	172	-65.9	177.5	0	0	0	109.2	Y134 N158 V160 P182 T188 V194 G195	Y134-I180 HydrophobicContact CD2-CD1 4.18Å; Y134-I180 HydrophobicContact CE2-CD1 3.72Å; N158-I180 HydrophobicContact CB-CG1 4.24Å; V160-I180 HydrophobicContact CG1-CB 3.81Å; V160-I180 HydrophobicContact CG1-CD1 4.44Å; V160-I180 HydrophobicContact CG1-CG1 3.96Å; V160-I180 HydrophobicContact CG2-CD1 4.36Å; I180-P182 WeakPolarHBondContact O-CD 3.25Å; I180-T188 HydrophobicContact CG2-CG2 4.29Å; I180-V194 HydrophobicContact CG2-CG1 4.31Å; I180-G195 VanDerWaalsContact O-CA 3.32Å; I180-G195 WeakPolarHBondContact O-CA 3.26Å
181	G	96.6	Very high	96.8	Very high	14 Å²	14	30.4 Å²	30.4	14%	0.144	17%	0.165	C	C	.	.	S	Bend	trans	84	0.9	-179	0	0	0	0	0	119.8	R189	G181-R189 PolarHBondContact O-NE 3.19Å
182	P	97.1	Very high	96.6	Very high	21 Å²	21	33.2 Å²	33.2	14%	0.136	18%	0.181	C	C	.	.			trans	-84.2	-12.7	-178	38	-40.8	0	0	0	113.4	I180 Q198 D219 G221	I180-P182 WeakPolarHBondContact O-CD 3.25Å; P182-Q198 HydrophobicContact CB-CB 4.08Å; P182-Q198 HydrophobicContact CB-CG 4.28Å; P182-Q198 HydrophobicContact CG-CG 4.48Å; P182-D219 WeakPolarHBondContact CG-O 3.01Å; P182-G221 VanDerWaalsContact O-CA 3.25Å; P182-G221 WeakPolarHBondContact O-CA 3.5Å; P182-G221 PolarHBondContact O-N 2.74Å
183	G	95.2	Very high	96.5	Very high	27 Å²	27	36.1 Å²	36.1	28%	0.278	21%	0.211	S	C	.	.	S	Bend	trans	-62.5	142.1	-173.3	0	0	0	0	0	113.7	V185 C186	G183-V185 PolarHBondContact O-N 2.84Å; G183-V185 VanDerWaalsContact O-N 3.17Å; G183-C186 VanDerWaalsContact O-CB 3.27Å; G183-C186 WeakPolarHBondContact O-CB 3.49Å; G183-C186 PolarHBondContact O-N 3.27Å
184	S	92.4	Very high	96.5	Very high	59 Å²	59	40.1 Å²	40.1	41%	0.413	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.3	-175.8	60	0	0	0	0	114.2	F266 K291	S184-F266 WeakPolarHBondContact OG-CE1 3.4Å; S184-K291 WeakPolarHBondContact O-CE 3.44Å; S184-K291 PolarHBondContact O-NZ 3.25Å; S184-K291 VanDerWaalsContact O-NZ 3.08Å
185	V	94.3	Very high	96.4	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.036	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	11.7	175.7	-68.8	0	0	0	0	113.3	M55 G183 F266 G290 K291 V293	M55-V185 HydrophobicContact CE-CG2 3.91Å; G183-V185 PolarHBondContact O-N 2.84Å; G183-V185 VanDerWaalsContact O-N 3.17Å; V185-F266 HydrophobicContact CB-CE1 4.15Å; V185-F266 HydrophobicContact CG1-CD1 3.43Å; V185-F266 VanDerWaalsContact CG1-CD1 3.43Å; V185-F266 HydrophobicContact CG1-CE1 3.42Å; V185-F266 VanDerWaalsContact CG1-CE1 3.42Å; V185-F266 HydrophobicContact CG1-CG 4.3Å; V185-F266 HydrophobicContact CG1-CZ 4.3Å; V185-F266 HydrophobicContact CG2-CD1 4.31Å; V185-F266 HydrophobicContact CG2-CE1 3.62Å; V185-F266 HydrophobicContact CG2-CE2 4.38Å; V185-F266 HydrophobicContact CG2-CZ 3.66Å; V185-G290 CarbonylContact O-C 3.59Å; V185-G290 VanDerWaalsContact O-CA 3.31Å; V185-G290 WeakPolarHBondContact O-CA 3.46Å; V185-K291 HydrophobicContact CB-CG 4.18Å; V185-K291 HydrophobicContact CG1-CG 4.41Å; V185-K291 PolarHBondContact O-N 2.77Å; V185-V293 HydrophobicContact CG1-CG1 4.3Å; V185-V293 HydrophobicContact CG1-CG2 3.72Å
186	C	94.9	Very high	96.4	Very high	40 Å²	40	42.9 Å²	42.9	27%	0.27	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-83.6	143.8	174.5	-174.5	0	0	0	0	110.5	G183 T188	G183-C186 VanDerWaalsContact O-CB 3.27Å; G183-C186 WeakPolarHBondContact O-CB 3.49Å; G183-C186 PolarHBondContact O-N 3.27Å; C186-T188 PolarHBondContact SG-N 2.86Å; C186-T188 PolarHBondContact SG-OG1 2.85Å
187	T	94.8	Very high	96.4	Very high	23 Å²	23	44.5 Å²	44.5	14%	0.141	27%	0.268	C	S	.	.			trans	-126.2	6.7	172.7	67.2	0	0	0	0	113.3	R189 K190 K191 S288 E289 G290 K291	T187-R189 PolarHBondContact O-N 3.1Å; T187-K190 WeakPolarHBondContact O-CA 3.44Å; T187-K190 WeakPolarHBondContact O-CB 3.26Å; T187-K190 PolarHBondContact O-N 2.88Å; T187-K191 WeakPolarHBondContact O-CG 3.13Å; T187-K191 PolarHBondContact O-N 2.9Å; T187-S288 PolarHBondContact OG1-O 3.02Å; T187-E289 PolarHBondContact N-O 3.2Å; T187-E289 WeakPolarHBondContact OG1-CA 3.49Å; T187-E289 PolarHBondContact OG1-O 2.94Å; T187-G290 PolarHBondContact OG1-N 2.9Å; T187-K291 HydrophobicContact CG2-CB 3.97Å; T187-K291 HydrophobicContact CG2-CD 4.3Å; T187-K291 HydrophobicContact CG2-CG 4.17Å
188	T	94.6	Very high	96.4	Very high	18 Å²	18	44.5 Å²	44.5	11%	0.11	27%	0.267	C	S	.	.	H	α-helix	trans	-46	-54.1	176.6	-59.7	0	0	0	0	112.5	I180 C186 K190 K191 T192 E289	I180-T188 HydrophobicContact CG2-CG2 4.29Å; C186-T188 PolarHBondContact SG-N 2.86Å; C186-T188 PolarHBondContact SG-OG1 2.85Å; T188-K190 PolarHBondContact O-N 3.17Å; T188-K190 VanDerWaalsContact O-N 3.13Å; T188-K191 PolarHBondContact O-N 2.72Å; T188-T192 PolarHBondContact O-N 2.92Å; T188-T192 PolarHBondContact O-OG1 2.97Å; T188-E289 VanDerWaalsContact CB-OE2 3.24Å; T188-E289 WeakPolarHBondContact CB-OE2 3.28Å; T188-E289 WeakPolarHBondContact CG2-OE2 3.41Å; T188-E289 PolarHBondContact OG1-OE2 2.82Å
189	R	96.1	Very high	96.4	Very high	90 Å²	90	44.5 Å²	44.5	34%	0.34	27%	0.267	S	S	.	.	H	α-helix	trans	-53.8	-39.2	178.2	-67.8	-178.2	-177.4	179.5	3	112.7	D11 G181 T187 G193 V194 Y196	D11-R189 IonicContact OD2-NH1 3.85Å; G181-R189 PolarHBondContact O-NE 3.19Å; T187-R189 PolarHBondContact O-N 3.1Å; R189-G193 VanDerWaalsContact O-CA 3.26Å; R189-G193 WeakPolarHBondContact O-CA 3.45Å; R189-G193 PolarHBondContact O-N 3.23Å; R189-G193 VanDerWaalsContact O-N 3.11Å; R189-V194 WeakPolarHBondContact CG-O 3.49Å; R189-Y196 PolarHBondContact NH2-O 3.02Å
190	K	93.8	Very high	96.4	Very high	182 Å²	182	45.1 Å²	45.1	79%	0.791	27%	0.271	S	S	*	.	H	α-helix	trans	-72.9	-35.6	178.5	-177.4	179.3	180	179	0	112.2	T187 T188	T187-K190 WeakPolarHBondContact O-CA 3.44Å; T187-K190 WeakPolarHBondContact O-CB 3.26Å; T187-K190 PolarHBondContact O-N 2.88Å; T188-K190 PolarHBondContact O-N 3.17Å; T188-K190 VanDerWaalsContact O-N 3.13Å
191	K	94	Very high	96.4	Very high	119 Å²	119	44.3 Å²	44.3	52%	0.517	27%	0.267	S	S	.	.	H	α-helix	trans	-86.1	-37.5	-172.4	-67.7	-67.5	-171.6	170.9	0	113.1	T187 T188 S288 E289	T187-K191 WeakPolarHBondContact O-CG 3.13Å; T187-K191 PolarHBondContact O-N 2.9Å; T188-K191 PolarHBondContact O-N 2.72Å; K191-S288 VanDerWaalsContact CE-O 3.26Å; K191-S288 WeakPolarHBondContact CE-O 3.43Å; K191-S288 WeakPolarHBondContact CG-O 3.48Å; K191-E289 HydrophobicContact CB-CG 4.44Å
192	T	96.1	Very high	96.5	Very high	70 Å²	70	43.7 Å²	43.7	43%	0.429	26%	0.26	S	S	.	.	H	α-helix	trans	-118	-17.1	-171.2	69.3	0	0	0	0	112.9	T188 V194	T188-T192 PolarHBondContact O-N 2.92Å; T188-T192 PolarHBondContact O-OG1 2.97Å; T192-V194 PolarHBondContact O-N 2.68Å; T192-V194 WeakPolarHBondContact OG1-CB 3.49Å; T192-V194 PolarHBondContact OG1-N 3.46Å; T192-V194 VanDerWaalsContact OG1-N 3.1Å
193	G	96.8	Very high	96.6	Very high	67 Å²	67	45.7 Å²	45.7	69%	0.691	27%	0.269	S	S	*	.			trans	74.9	-1.2	-170	0	0	0	0	0	113.9	R189	R189-G193 VanDerWaalsContact O-CA 3.26Å; R189-G193 WeakPolarHBondContact O-CA 3.45Å; R189-G193 PolarHBondContact O-N 3.23Å; R189-G193 VanDerWaalsContact O-N 3.11Å
194	V	98	Very high	96.8	Very high	84 Å²	84	47.4 Å²	47.4	51%	0.509	27%	0.27	S	S	.	.			trans	-87.5	135.7	-177.3	-178.5	0	0	0	0	110.6	I180 R189 T192	I180-V194 HydrophobicContact CG2-CG1 4.31Å; R189-V194 WeakPolarHBondContact CG-O 3.49Å; T192-V194 PolarHBondContact O-N 2.68Å; T192-V194 WeakPolarHBondContact OG1-CB 3.49Å; T192-V194 PolarHBondContact OG1-N 3.46Å; T192-V194 VanDerWaalsContact OG1-N 3.1Å
195	G	97.7	Very high	97.1	Very high	35 Å²	35	44.6 Å²	44.6	36%	0.361	25%	0.25	S	S	.	.			trans	162.8	176.5	172.1	0	0	0	0	0	111.7	I180	I180-G195 VanDerWaalsContact O-CA 3.32Å; I180-G195 WeakPolarHBondContact O-CA 3.26Å
196	Y	98.4	Very high	97.3	Very high	24 Å²	24	44.3 Å²	44.3	9%	0.094	25%	0.248	C	C	.	.			trans	-143.3	139.4	179.6	-151.1	-76.5	0	0	0	109.5	K9 V160 T161 R189 Q198 A201 E204	K9-Y196 HydrophobicContact CD-CE1 3.9Å; K9-Y196 WeakPolarHBondContact CE-OH 3.13Å; K9-Y196 HydrophobicContact CG-CE1 4.27Å; K9-Y196 PolarHBondContact NZ-OH 3.23Å; V160-Y196 HydrophobicContact CB-CD2 4.39Å; V160-Y196 HydrophobicContact CB-CG 4.11Å; V160-Y196 HydrophobicContact CG2-CD2 4.14Å; V160-Y196 HydrophobicContact CG2-CG 4.26Å; T161-Y196 HydrophobicContact CG2-CD2 4.32Å; T161-Y196 HydrophobicContact CG2-CE2 4Å; R189-Y196 PolarHBondContact NH2-O 3.02Å; Y196-Q198 PolarHBondContact O-N 2.99Å; Y196-A201 HydrophobicContact CD1-CB 3.79Å; Y196-A201 HydrophobicContact CE1-CB 4.39Å; Y196-A201 HydrophobicContact CG-CB 4.34Å; Y196-E204 PolarHBondContact OH-OE2 3.04Å
197	P	98.6	Very high	97.5	Very high	34 Å²	34	47.9 Å²	47.9	22%	0.221	27%	0.265	C	S	.	.			trans	-59	127.4	175.3	-29.9	40.8	0	0	0	112.1	K9 L10 D11 L199 S200 A201	K9-P197 HydrophobicContact CB-CB 4.05Å; K9-P197 HydrophobicContact CB-CG 3.62Å; L10-P197 CarbonylContact O-C 3.58Å; L10-P197 WeakPolarHBondContact O-CB 3.25Å; D11-P197 WeakPolarHBondContact OD1-CA 3.34Å; P197-L199 PolarHBondContact O-N 3.18Å; P197-S200 PolarHBondContact O-N 3.33Å; P197-A201 PolarHBondContact O-N 3.34Å
198	Q	98.8	Very high	97.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-36.4	-158.2	-175.3	63.3	6.1	0	0	112.5	D11 F12 V178 G179 P182 Y196 A201 V202 S218 D219	D11-Q198 PolarHBondContact OD1-N 3.03Å; F12-Q198 HydrophobicContact CE2-CB 4.03Å; F12-Q198 HydrophobicContact CE2-CG 3.57Å; F12-Q198 HydrophobicContact CZ-CB 4.24Å; F12-Q198 HydrophobicContact CZ-CG 3.57Å; V178-Q198 PolarHBondContact O-NE2 3.36Å; G179-Q198 VanDerWaalsContact CA-OE1 3.28Å; P182-Q198 HydrophobicContact CB-CB 4.08Å; P182-Q198 HydrophobicContact CB-CG 4.28Å; P182-Q198 HydrophobicContact CG-CG 4.48Å; Y196-Q198 PolarHBondContact O-N 2.99Å; Q198-A201 PolarHBondContact O-N 3.07Å; Q198-V202 WeakPolarHBondContact O-CB 3.5Å; Q198-V202 WeakPolarHBondContact O-CG2 3.32Å; Q198-V202 PolarHBondContact O-N 2.84Å; Q198-S218 PolarHBondContact NE2-OG 3.38Å; Q198-S218 VanDerWaalsContact NE2-OG 3.11Å; Q198-D219 PolarHBondContact NE2-O 3.49Å
199	L	98.8	Very high	97.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-45	179	177.5	73.7	0	0	0	110.8	L10 F12 V15 P197 V202 I203 A234 F333	L10-L199 HydrophobicContact CB-CD2 4.02Å; L10-L199 WeakPolarHBondContact O-CB 3.38Å; L10-L199 PolarHBondContact O-N 2.84Å; F12-L199 HydrophobicContact CD1-CB 4.04Å; F12-L199 HydrophobicContact CD1-CD1 4Å; F12-L199 HydrophobicContact CE1-CB 4.28Å; F12-L199 HydrophobicContact CE1-CD1 4.13Å; V15-L199 HydrophobicContact CB-CD2 4.19Å; V15-L199 HydrophobicContact CG1-CD2 3.69Å; V15-L199 HydrophobicContact CG2-CD2 3.39Å; P197-L199 PolarHBondContact O-N 3.18Å; L199-V202 PolarHBondContact O-N 3.5Å; L199-I203 HydrophobicContact CG-CD1 4.22Å; L199-I203 WeakPolarHBondContact O-CG1 3.36Å; L199-I203 PolarHBondContact O-N 3.23Å; L199-I203 VanDerWaalsContact O-N 3.07Å; L199-A234 HydrophobicContact CD1-CB 3.58Å; L199-F333 HydrophobicContact CD1-CE1 4.44Å; L199-F333 HydrophobicContact CD1-CE2 4.15Å; L199-F333 HydrophobicContact CD1-CZ 3.88Å
200	S	98.8	Very high	98	Very high	18 Å²	18	46.2 Å²	46.2	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-40.9	176.8	-73.2	0	0	0	0	112.8	K9 L10 P197 V202 I203 E204	K9-S200 WeakPolarHBondContact CA-OG 3.42Å; L10-S200 PolarHBondContact N-OG 2.88Å; L10-S200 PolarHBondContact O-N 3.14Å; L10-S200 VanDerWaalsContact O-N 3.07Å; P197-S200 PolarHBondContact O-N 3.33Å; S200-V202 VanDerWaalsContact C-N 3.33Å; S200-V202 PolarHBondContact O-N 3.42Å; S200-I203 PolarHBondContact O-N 2.98Å; S200-E204 PolarHBondContact O-N 3.16Å
201	A	98.8	Very high	98.2	Very high	0 Å²	0	41 Å²	41	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.8	-44.2	174.7	0	0	0	0	0	111.2	V160 V178 Y196 P197 Q198 I203 E204 C205	V160-A201 HydrophobicContact CB-CB 4.1Å; V160-A201 HydrophobicContact CG1-CB 4.28Å; V178-A201 HydrophobicContact CG1-CB 3.93Å; Y196-A201 HydrophobicContact CD1-CB 3.79Å; Y196-A201 HydrophobicContact CE1-CB 4.39Å; Y196-A201 HydrophobicContact CG-CB 4.34Å; P197-A201 PolarHBondContact O-N 3.34Å; Q198-A201 PolarHBondContact O-N 3.07Å; A201-I203 PolarHBondContact O-N 3.43Å; A201-E204 PolarHBondContact O-N 3.35Å; A201-C205 WeakPolarHBondContact O-CB 3.19Å; A201-C205 PolarHBondContact O-N 3.24Å; A201-C205 PolarHBondContact O-SG 2.83Å
202	V	98.9	Very high	98.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-45.2	176.7	170.5	0	0	0	0	111.9	Q198 L199 S200 A206 I216 S218 A234 A236	Q198-V202 WeakPolarHBondContact O-CB 3.5Å; Q198-V202 WeakPolarHBondContact O-CG2 3.32Å; Q198-V202 PolarHBondContact O-N 2.84Å; L199-V202 PolarHBondContact O-N 3.5Å; S200-V202 VanDerWaalsContact C-N 3.33Å; S200-V202 PolarHBondContact O-N 3.42Å; V202-A206 WeakPolarHBondContact O-CB 3.19Å; V202-A206 PolarHBondContact O-N 3.11Å; V202-I216 HydrophobicContact CG1-CD1 4.08Å; V202-S218 WeakPolarHBondContact CG2-OG 3.19Å; V202-A234 HydrophobicContact CB-CB 4.29Å; V202-A234 HydrophobicContact CG1-CB 3.6Å; V202-A236 HydrophobicContact CG1-CB 3.89Å
203	I	98.8	Very high	98.5	Very high	63 Å²	63	36.4 Å²	36.4	32%	0.323	25%	0.245	S	C	.	.	H	α-helix	trans	-60.6	-51.4	179.3	-67.5	168	0	0	0	110.2	L199 S200 A201 A206 D207 A234	L199-I203 HydrophobicContact CG-CD1 4.22Å; L199-I203 WeakPolarHBondContact O-CG1 3.36Å; L199-I203 PolarHBondContact O-N 3.23Å; L199-I203 VanDerWaalsContact O-N 3.07Å; S200-I203 PolarHBondContact O-N 2.98Å; A201-I203 PolarHBondContact O-N 3.43Å; I203-A206 PolarHBondContact O-N 2.89Å; I203-D207 PolarHBondContact O-N 3.25Å; I203-A234 HydrophobicContact CG1-CB 3.84Å
204	E	98.7	Very high	98.6	Very high	63 Å²	63	33.3 Å²	33.3	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-62.1	-48.3	-178.2	-171.9	-175.7	136.4	0	0	111.9	T161 G162 Y196 S200 A201 A208	T161-E204 WeakPolarHBondContact CA-OE1 3.24Å; T161-E204 WeakPolarHBondContact CB-OE1 3.33Å; G162-E204 PolarHBondContact N-OE1 2.99Å; Y196-E204 PolarHBondContact OH-OE2 3.04Å; S200-E204 PolarHBondContact O-N 3.16Å; A201-E204 PolarHBondContact O-N 3.35Å; E204-A208 PolarHBondContact O-N 3.46Å
205	C	98.9	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-71.1	-32.1	-178.3	-67.7	0	0	0	0	113	T161 V165 V178 A201 A209 I216	T161-C205 PolarHBondContact N-SG 2.97Å; V165-C205 HydrophobicContact CG2-CB 3.64Å; V165-C205 VanDerWaalsContact CG2-SG 3.54Å; V178-C205 HydrophobicContact CB-CB 4.43Å; V178-C205 HydrophobicContact CG1-CB 4Å; V178-C205 HydrophobicContact CG2-CB 3.54Å; A201-C205 WeakPolarHBondContact O-CB 3.19Å; A201-C205 PolarHBondContact O-N 3.24Å; A201-C205 PolarHBondContact O-SG 2.83Å; C205-A209 VanDerWaalsContact O-CB 3.31Å; C205-A209 WeakPolarHBondContact O-CB 3.11Å; C205-A209 PolarHBondContact O-N 3.36Å; C205-I216 HydrophobicContact CB-CD1 4.39Å; C205-I216 HydrophobicContact CB-CG2 4.43Å
206	A	98.8	Very high	98.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.9	-47.7	176.5	0	0	0	0	0	110.3	V202 I203 A208 A209 H210 I216	V202-A206 WeakPolarHBondContact O-CB 3.19Å; V202-A206 PolarHBondContact O-N 3.11Å; I203-A206 PolarHBondContact O-N 2.89Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A206-A208 PolarHBondContact O-N 3.23Å; A206-A209 PolarHBondContact O-N 3.07Å; A206-H210 VanDerWaalsContact O-CB 3.3Å; A206-H210 WeakPolarHBondContact O-CB 3.48Å; A206-H210 PolarHBondContact O-N 3.32Å; A206-I216 HydrophobicContact CB-CD1 3.69Å; A206-I216 HydrophobicContact CB-CG1 4.28Å
207	D	98.5	Very high	98.7	Very high	115 Å²	115	27.4 Å²	27.4	62%	0.615	17%	0.172	S	C	*	.	H	α-helix	trans	-58.2	-46.4	178.4	-74.9	-13.4	0	0	0	111	I203 G211	I203-D207 PolarHBondContact O-N 3.25Å; D207-G211 PolarHBondContact O-N 2.97Å; D207-G211 VanDerWaalsContact O-N 3.08Å
208	A	98.8	Very high	98.8	Very high	13 Å²	13	25.8 Å²	25.8	11%	0.107	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-49.3	176.9	0	0	0	0	0	112.6	V165 E166 E204 A206 G211	V165-A208 HydrophobicContact CB-CB 4.31Å; V165-A208 HydrophobicContact CG1-CB 4.06Å; E166-A208 HydrophobicContact CG-CB 4.22Å; E204-A208 PolarHBondContact O-N 3.46Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A206-A208 PolarHBondContact O-N 3.23Å; A208-G211 PolarHBondContact O-N 3.14Å
209	A	98.9	Very high	98.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-46.2	-178.8	0	0	0	0	0	112.2	V165 I169 C205 A206 G211 L212 G213 G214 I216	V165-A209 HydrophobicContact CG1-CB 3.72Å; I169-A209 HydrophobicContact CD1-CB 3.73Å; C205-A209 VanDerWaalsContact O-CB 3.31Å; C205-A209 WeakPolarHBondContact O-CB 3.11Å; C205-A209 PolarHBondContact O-N 3.36Å; A206-A209 PolarHBondContact O-N 3.07Å; A209-G211 VanDerWaalsContact C-N 3.29Å; A209-G211 PolarHBondContact O-N 2.89Å; A209-L212 CarbonylContact O-C 3.59Å; A209-L212 PolarHBondContact O-N 2.91Å; A209-L212 VanDerWaalsContact O-N 3.08Å; A209-G213 PolarHBondContact O-N 3.01Å; A209-G213 VanDerWaalsContact O-N 3.16Å; A209-G214 WeakPolarHBondContact O-CA 3.5Å; A209-G214 PolarHBondContact O-N 2.87Å; A209-I216 HydrophobicContact CB-CG2 3.42Å; A209-I216 VanDerWaalsContact CB-CG2 3.42Å
210	H	98.8	Very high	98.7	Very high	84 Å²	84	27.5 Å²	27.5	39%	0.389	17%	0.174	S	C	.	.	H	α-helix	trans	-66.5	-32.6	-178	-65.2	171.7	0	0	0	111.7	A206 L212 G213 G214 G235 D237	A206-H210 VanDerWaalsContact O-CB 3.3Å; A206-H210 WeakPolarHBondContact O-CB 3.48Å; A206-H210 PolarHBondContact O-N 3.32Å; H210-L212 PolarHBondContact O-N 3.11Å; H210-G213 PolarHBondContact O-N 3.36Å; H210-G214 PolarHBondContact CD2-O 2.83Å; H210-G235 PolarHBondContact CE1-O 2.89Å; H210-G235 VanDerWaalsContact CE1-O 3.24Å; H210-D237 IonicContact CD2-OD2 3.77Å; H210-D237 IonicContact CE1-OD2 2.86Å; H210-D237 IonicContact NE2-OD1 3.9Å; H210-D237 PolarHBondContact NE2-OD1 2.8Å; H210-D237 IonicContact NE2-OD2 2.85Å; H210-D237 PolarHBondContact NE2-OD2 3.44Å
211	G	98.5	Very high	98.6	Very high	71 Å²	71	27.8 Å²	27.8	73%	0.732	18%	0.179	S	C	*	.	H	α-helix	trans	-58.1	-30.4	172	0	0	0	0	0	113.7	D207 A208 A209	D207-G211 PolarHBondContact O-N 2.97Å; D207-G211 VanDerWaalsContact O-N 3.08Å; A208-G211 PolarHBondContact O-N 3.14Å; A209-G211 VanDerWaalsContact C-N 3.29Å; A209-G211 PolarHBondContact O-N 2.89Å
212	L	98.5	Very high	98.6	Very high	53 Å²	53	28.4 Å²	28.4	28%	0.277	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-0.2	176.5	-63.5	-178.6	0	0	0	114	R39 E166 I169 L170 A209 H210 G214	R39-L212 WeakPolarHBondContact CD-O 3.33Å; R39-L212 PolarHBondContact NE-O 2.84Å; E166-L212 HydrophobicContact CB-CD1 3.83Å; E166-L212 HydrophobicContact CG-CD1 3.79Å; E166-L212 HydrophobicContact CG-CG 4.49Å; I169-L212 HydrophobicContact CB-CD1 4.18Å; I169-L212 HydrophobicContact CD1-CD1 4.5Å; I169-L212 HydrophobicContact CG2-CB 4.04Å; I169-L212 HydrophobicContact CG2-CD1 4.05Å; L170-L212 HydrophobicContact CD2-CD1 4.48Å; L170-L212 HydrophobicContact CG-CD1 4.26Å; A209-L212 CarbonylContact O-C 3.59Å; A209-L212 PolarHBondContact O-N 2.91Å; A209-L212 VanDerWaalsContact O-N 3.08Å; H210-L212 PolarHBondContact O-N 3.11Å; L212-G214 PolarHBondContact O-N 3.39Å
213	G	98.2	Very high	98.5	Very high	40 Å²	40	33.5 Å²	33.5	41%	0.412	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	12.6	-172.5	0	0	0	0	0	114.4	A209 H210	A209-G213 PolarHBondContact O-N 3.01Å; A209-G213 VanDerWaalsContact O-N 3.16Å; H210-G213 PolarHBondContact O-N 3.36Å
214	G	98.6	Very high	98.5	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.021	21%	0.21	C	C	.	.			trans	-81	179.6	169.2	0	0	0	0	0	112	A209 H210 L212	A209-G214 WeakPolarHBondContact O-CA 3.5Å; A209-G214 PolarHBondContact O-N 2.87Å; H210-G214 PolarHBondContact CD2-O 2.83Å; L212-G214 PolarHBondContact O-N 3.39Å
215	H	98.9	Very high	98.4	Very high	20 Å²	20	30.1 Å²	30.1	9%	0.093	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	165	-179	-60.6	71.7	0	0	0	110.4	F36 T37 F38 D174 I175 I176 D237	F36-H215 AromaticContact CD1-CD2 3.36Å; F36-H215 WeakPolarHBondContact CD1-CD2 3.33Å; F36-H215 AromaticContact CD1-NE2 3.18Å; F36-H215 WeakPolarHBondContact CD1-NE2 3.28Å; F36-H215 AromaticContact CE1-CD2 3.61Å; F36-H215 AromaticContact CE1-NE2 3.86Å; F36-H215 AromaticContact CG-CD2 3.83Å; F36-H215 AromaticContact CG-NE2 3.7Å; T37-H215 PolarHBondContact O-CE1 2.83Å; F38-H215 AromaticContact CD1-ND1 3.79Å; D174-H215 PolarHBondContact O-N 2.84Å; D174-H215 VanDerWaalsContact O-N 3.1Å; I175-H215 CarbonylContact C-O 3.55Å; I175-H215 VanDerWaalsContact CA-O 3.27Å; I175-H215 WeakPolarHBondContact CA-O 3.47Å; I175-H215 HydrophobicContact CG1-CB 4.24Å; I175-H215 HydrophobicContact CG2-CB 4.16Å; I176-H215 PolarHBondContact N-O 2.69Å; H215-D237 VanDerWaalsContact CA-OD2 3.22Å; H215-D237 WeakPolarHBondContact CA-OD2 3.22Å; H215-D237 HydrophobicContact CB-CB 4.02Å; H215-D237 WeakPolarHBondContact CB-OD2 3.26Å; H215-D237 IonicContact CD2-OD1 3.84Å; H215-D237 IonicContact CD2-OD2 2.69Å; H215-D237 IonicContact CG-OD2 2.86Å
216	I	98.9	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155	174.2	67.6	159.1	0	0	0	114	I176 V178 V202 C205 A206 A209 A236 D237 F238	I176-I216 HydrophobicContact CB-CG2 4.41Å; I176-I216 CarbonylContact O-C 3.57Å; I176-I216 VanDerWaalsContact O-CA 3.26Å; I176-I216 WeakPolarHBondContact O-CA 3.12Å; V178-I216 HydrophobicContact CG2-CB 4.03Å; V178-I216 HydrophobicContact CG2-CD1 4.26Å; V178-I216 HydrophobicContact CG2-CG2 4.15Å; V202-I216 HydrophobicContact CG1-CD1 4.08Å; C205-I216 HydrophobicContact CB-CD1 4.39Å; C205-I216 HydrophobicContact CB-CG2 4.43Å; A206-I216 HydrophobicContact CB-CD1 3.69Å; A206-I216 HydrophobicContact CB-CG1 4.28Å; A209-I216 HydrophobicContact CB-CG2 3.42Å; A209-I216 VanDerWaalsContact CB-CG2 3.42Å; I216-A236 HydrophobicContact CD1-CB 4.37Å; I216-A236 HydrophobicContact CG1-CB 4.47Å; I216-D237 PolarHBondContact N-OD2 2.82Å; I216-D237 WeakPolarHBondContact O-CB 3.18Å; I216-D237 PolarHBondContact O-N 2.89Å; I216-D237 VanDerWaalsContact O-N 3.17Å; I216-F238 PolarHBondContact O-N 2.84Å
217	I	99	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.4	167.1	-64.3	151.7	0	0	0	107.8	I51 M155 I175 I176 K177 V178 D219 F238 M240	I51-I217 HydrophobicContact CD1-CD1 3.81Å; I51-I217 HydrophobicContact CD1-CG1 3.78Å; I51-I217 HydrophobicContact CD1-CG2 4.32Å; M155-I217 HydrophobicContact CB-CD1 4.12Å; M155-I217 HydrophobicContact CG-CD1 3.91Å; M155-I217 HydrophobicContact SD-CD1 3.73Å; I175-I217 HydrophobicContact CB-CD1 4.38Å; I175-I217 HydrophobicContact CG2-CD1 3.55Å; I175-I217 HydrophobicContact CG2-CG1 3.55Å; I176-I217 PolarHBondContact O-N 3.09Å; K177-I217 HydrophobicContact CD-CD1 4.41Å; K177-I217 HydrophobicContact CG-CB 3.94Å; K177-I217 HydrophobicContact CG-CD1 3.93Å; K177-I217 HydrophobicContact CG-CG2 4.01Å; V178-I217 WeakPolarHBondContact CB-O 3.4Å; V178-I217 PolarHBondContact N-O 2.86Å; I217-D219 HydrophobicContact CG2-CB 4.38Å; I217-D219 PolarHBondContact O-N 2.64Å; I217-F238 CarbonylContact C-O 3.55Å; I217-F238 WeakPolarHBondContact CA-O 3.44Å; I217-F238 HydrophobicContact CB-CB 4.28Å; I217-F238 HydrophobicContact CG1-CB 3.63Å; I217-F238 HydrophobicContact CG1-CD2 4.33Å; I217-F238 HydrophobicContact CG1-CG 4.2Å; I217-F238 HydrophobicContact CG2-CB 4.46Å; I217-M240 HydrophobicContact CG2-CB 3.48Å; I217-M240 VanDerWaalsContact CG2-CB 3.48Å
218	S	98.9	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	111.4	164.1	-172.1	0	0	0	0	109.1	Q198 V202 F238 M240	Q198-S218 PolarHBondContact NE2-OG 3.38Å; Q198-S218 VanDerWaalsContact NE2-OG 3.11Å; V202-S218 WeakPolarHBondContact CG2-OG 3.19Å; S218-F238 PolarHBondContact N-O 2.81Å; S218-M240 PolarHBondContact O-N 2.84Å
219	D	98.8	Very high	98.5	Very high	23 Å²	23	25.5 Å²	25.5	12%	0.123	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.3	-173.6	-178	17.6	0	0	0	112.6	N158 K177 V178 P182 Q198 I217 M240	N158-D219 PolarHBondContact ND2-OD2 2.81Å; K177-D219 HydrophobicContact CG-CB 4.22Å; K177-D219 IonicContact NZ-OD2 3.78Å; K177-D219 PolarHBondContact NZ-OD2 2.81Å; V178-D219 PolarHBondContact O-N 2.77Å; P182-D219 WeakPolarHBondContact CG-O 3.01Å; Q198-D219 PolarHBondContact NE2-O 3.49Å; I217-D219 HydrophobicContact CG2-CB 4.38Å; I217-D219 PolarHBondContact O-N 2.64Å; D219-M240 HydrophobicContact CB-CB 4.23Å; D219-M240 HydrophobicContact CB-SD 4.4Å; D219-M240 WeakPolarHBondContact OD1-CG 3.2Å
220	G	97.1	Very high	98.5	Very high	13 Å²	13	25.7 Å²	25.7	13%	0.134	18%	0.183	C	C	.	.	S	Bend	trans	86.5	175.4	178.5	0	0	0	0	0	114.6	C222 M240	G220-C222 PolarHBondContact O-N 2.96Å; G220-C222 VanDerWaalsContact O-N 3.13Å; G220-M240 PolarHBondContact N-O 3.46Å
221	G	97.2	Very high	98.5	Very high	23 Å²	23	21.7 Å²	21.7	24%	0.237	17%	0.165	C	C	.	.			trans	78.9	-19.5	179.5	0	0	0	0	0	116.1	P182 T223	P182-G221 VanDerWaalsContact O-CA 3.25Å; P182-G221 WeakPolarHBondContact O-CA 3.5Å; P182-G221 PolarHBondContact O-N 2.74Å; G221-T223 PolarHBondContact O-N 2.8Å
222	C	98.6	Very high	98.5	Very high	14 Å²	14	18.6 Å²	18.6	10%	0.095	13%	0.131	C	C	.	.			trans	-71.8	125.4	174.7	-69.4	0	0	0	0	111.2	G220 D227 V228 L241 M244	G220-C222 PolarHBondContact O-N 2.96Å; G220-C222 VanDerWaalsContact O-N 3.13Å; C222-D227 HydrophobicContact CB-CB 4.01Å; C222-V228 HydrophobicContact CB-CG2 4.17Å; C222-L241 HydrophobicContact CB-CD2 3.7Å; C222-M244 HydrophobicContact CB-SD 4.06Å
223	T	97.1	Very high	98.5	Very high	106 Å²	106	16.3 Å²	16.3	65%	0.65	12%	0.121	S	C	*	.			trans	-119.8	-14.8	179.5	61.8	0	0	0	0	113.3	G221 D227	G221-T223 PolarHBondContact O-N 2.8Å; T223-D227 PolarHBondContact N-OD2 2.86Å; T223-D227 PolarHBondContact OG1-OD2 3.01Å
224	C	97.9	Very high	98.5	Very high	35 Å²	35	15 Å²	15	24%	0.236	11%	0.105	C	C	.	.	S	Bend	trans	-146.3	164.4	178	68.4	0	0	0	0	111.1	G226 D227 V228	C224-G226 PolarHBondContact O-N 3.11Å; C224-G226 VanDerWaalsContact O-N 3.11Å; C224-D227 PolarHBondContact N-OD2 3.13Å; C224-D227 PolarHBondContact O-N 2.83Å; C224-D227 PolarHBondContact SG-OD2 3.1Å; C224-D227 VanDerWaalsContact SG-OD2 3.35Å; C224-V228 PolarHBondContact O-N 3.33Å
225	P	98.6	Very high	98.6	Very high	20 Å²	20	15.3 Å²	15.3	13%	0.13	11%	0.109	C	C	.	.	H	α-helix	trans	-55.6	-28.5	175.8	-26.4	34	0	0	0	114.4	D227 V228 S229 D307 V308	P225-D227 VanDerWaalsContact C-N 3.34Å; P225-V228 PolarHBondContact O-N 3.29Å; P225-S229 PolarHBondContact O-N 2.62Å; P225-S229 PolarHBondContact O-OG 3Å; P225-D307 WeakPolarHBondContact CG-OD2 3.43Å; P225-V308 HydrophobicContact CG-CG2 4.3Å
226	G	98.6	Very high	98.5	Very high	27 Å²	27	14.5 Å²	14.5	28%	0.278	11%	0.106	S	C	.	.	H	α-helix	trans	-65	-36.1	175.3	0	0	0	0	0	112.8	C224 S229 K230	C224-G226 PolarHBondContact O-N 3.11Å; C224-G226 VanDerWaalsContact O-N 3.11Å; G226-S229 WeakPolarHBondContact O-CB 3.12Å; G226-S229 PolarHBondContact O-N 3.46Å; G226-K230 VanDerWaalsContact O-CG 3.26Å; G226-K230 WeakPolarHBondContact O-CG 3.33Å; G226-K230 PolarHBondContact O-N 3.35Å
227	D	98.8	Very high	98.5	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-70	-40.1	177.3	-58.3	-29.2	0	0	0	110.8	F12 C222 T223 C224 P225 S229 K230 A231 Q339	F12-D227 HydrophobicContact CB-CB 4.14Å; F12-D227 WeakPolarHBondContact CB-OD1 3.22Å; F12-D227 HydrophobicContact CD2-CB 4Å; F12-D227 HydrophobicContact CG-CB 4.07Å; C222-D227 HydrophobicContact CB-CB 4.01Å; T223-D227 PolarHBondContact N-OD2 2.86Å; T223-D227 PolarHBondContact OG1-OD2 3.01Å; C224-D227 PolarHBondContact N-OD2 3.13Å; C224-D227 PolarHBondContact O-N 2.83Å; C224-D227 PolarHBondContact SG-OD2 3.1Å; C224-D227 VanDerWaalsContact SG-OD2 3.35Å; P225-D227 VanDerWaalsContact C-N 3.34Å; D227-S229 VanDerWaalsContact C-N 3.28Å; D227-S229 PolarHBondContact O-N 3.44Å; D227-K230 WeakPolarHBondContact O-CB 3.21Å; D227-K230 PolarHBondContact O-N 3.17Å; D227-K230 VanDerWaalsContact O-N 3.08Å; D227-K230 IonicContact OD1-NZ 3.46Å; D227-A231 PolarHBondContact O-N 2.99Å; D227-Q339 PolarHBondContact OD1-NE2 3.44Å
228	V	98.9	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.3	-44.8	172.2	-178.6	0	0	0	0	110.6	I50 C222 C224 P225 K230 A231 F232 V239 L241 M244 V308 V312	I50-V228 HydrophobicContact CD1-CG1 4.2Å; I50-V228 HydrophobicContact CG1-CG1 4.45Å; C222-V228 HydrophobicContact CB-CG2 4.17Å; C224-V228 PolarHBondContact O-N 3.33Å; P225-V228 PolarHBondContact O-N 3.29Å; V228-K230 VanDerWaalsContact C-N 3.33Å; V228-K230 PolarHBondContact O-N 3.11Å; V228-A231 PolarHBondContact O-N 3.03Å; V228-F232 HydrophobicContact CG1-CD2 3.94Å; V228-F232 HydrophobicContact CG1-CE2 3.54Å; V228-F232 HydrophobicContact CG1-CZ 4.49Å; V228-F232 VanDerWaalsContact O-CD2 3.22Å; V228-F232 WeakPolarHBondContact O-CD2 3.24Å; V228-F232 PolarHBondContact O-N 2.99Å; V228-F232 VanDerWaalsContact O-N 3.09Å; V228-V239 HydrophobicContact CG1-CB 4.27Å; V228-V239 HydrophobicContact CG1-CG1 4.19Å; V228-V239 HydrophobicContact CG1-CG2 4.29Å; V228-V239 HydrophobicContact CG2-CG1 4.4Å; V228-L241 HydrophobicContact CG2-CD1 4.43Å; V228-L241 HydrophobicContact CG2-CD2 4.02Å; V228-M244 HydrophobicContact CG2-SD 4.16Å; V228-V308 HydrophobicContact CB-CG1 4.49Å; V228-V308 HydrophobicContact CG1-CG1 4.29Å; V228-V308 HydrophobicContact CG2-CG1 4.22Å; V228-V312 HydrophobicContact CB-CG2 4.47Å; V228-V312 HydrophobicContact CG1-CG2 4.02Å
229	S	98.9	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-38.3	175.8	-62.1	0	0	0	0	112.7	P225 G226 D227 G233 T315	P225-S229 PolarHBondContact O-N 2.62Å; P225-S229 PolarHBondContact O-OG 3Å; G226-S229 WeakPolarHBondContact O-CB 3.12Å; G226-S229 PolarHBondContact O-N 3.46Å; D227-S229 VanDerWaalsContact C-N 3.28Å; D227-S229 PolarHBondContact O-N 3.44Å; S229-G233 PolarHBondContact O-N 3.46Å; S229-T315 WeakPolarHBondContact CB-OG1 3.45Å; S229-T315 PolarHBondContact OG-OG1 2.96Å
230	K	98.9	Very high	98.6	Very high	5 Å²	5	13.7 Å²	13.7	2%	0.022	10%	0.102	C	C	.	.	H	α-helix	trans	-69.4	-40.1	176.5	-69.3	165.4	-174.7	179.5	0	111.6	F12 V15 L17 G226 D227 V228 G233 A234 F333 Q339	F12-K230 HydrophobicContact CB-CD 4.06Å; F12-K230 HydrophobicContact CD1-CB 3.82Å; F12-K230 HydrophobicContact CE1-CB 4.43Å; F12-K230 VanDerWaalsContact O-CD 3.29Å; F12-K230 WeakPolarHBondContact O-CD 3.12Å; F12-K230 WeakPolarHBondContact O-CE 3.32Å; F12-K230 PolarHBondContact O-NZ 3.08Å; V15-K230 HydrophobicContact CG2-CD 4.15Å; V15-K230 HydrophobicContact CG2-CG 4.48Å; V15-K230 WeakPolarHBondContact O-CE 3.35Å; V15-K230 PolarHBondContact O-NZ 3.04Å; L17-K230 HydrophobicContact CD1-CG 3.6Å; G226-K230 VanDerWaalsContact O-CG 3.26Å; G226-K230 WeakPolarHBondContact O-CG 3.33Å; G226-K230 PolarHBondContact O-N 3.35Å; D227-K230 WeakPolarHBondContact O-CB 3.21Å; D227-K230 PolarHBondContact O-N 3.17Å; D227-K230 VanDerWaalsContact O-N 3.08Å; D227-K230 IonicContact OD1-NZ 3.46Å; V228-K230 VanDerWaalsContact C-N 3.33Å; V228-K230 PolarHBondContact O-N 3.11Å; K230-G233 CarbonylContact O-C 3.42Å; K230-G233 PolarHBondContact O-N 3.36Å; K230-A234 VanDerWaalsContact O-CB 3.26Å; K230-A234 WeakPolarHBondContact O-CB 3.4Å; K230-A234 PolarHBondContact O-N 2.88Å; K230-F333 HydrophobicContact CB-CE1 4.18Å; K230-F333 HydrophobicContact CG-CE1 4.15Å; K230-F333 WeakPolarHBondContact O-CZ 3.25Å; K230-Q339 VanDerWaalsContact NZ-CD 3.29Å
231	A	98.9	Very high	98.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60	-47.7	175.1	0	0	0	0	0	111.4	F12 D227 V228 G233 A234 G235 A236 V239	F12-A231 HydrophobicContact CE1-CB 3.82Å; F12-A231 HydrophobicContact CZ-CB 3.86Å; D227-A231 PolarHBondContact O-N 2.99Å; V228-A231 PolarHBondContact O-N 3.03Å; A231-G233 PolarHBondContact O-N 3.46Å; A231-A234 WeakPolarHBondContact O-CB 3.46Å; A231-A234 PolarHBondContact O-N 3.24Å; A231-G235 PolarHBondContact O-N 3.04Å; A231-A236 HydrophobicContact CB-CB 4.48Å; A231-A236 VanDerWaalsContact O-CB 3.25Å; A231-A236 WeakPolarHBondContact O-CB 3.45Å; A231-A236 PolarHBondContact O-N 3.3Å; A231-A236 VanDerWaalsContact O-N 3.11Å; A231-V239 HydrophobicContact CB-CG1 4.49Å; A231-V239 HydrophobicContact CB-CG2 3.62Å
232	F	98.9	Very high	98.7	Very high	5 Å²	5	12.7 Å²	12.7	2%	0.022	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-41.1	172.8	-71.5	-53.7	0	0	0	112.7	P49 I50 V228 A234 G235 A236 V239 L324 L327 S328	P49-F232 HydrophobicContact CB-CE1 4.46Å; P49-F232 HydrophobicContact CG-CE1 3.68Å; P49-F232 HydrophobicContact CG-CZ 3.88Å; P49-F232 WeakPolarHBondContact O-CZ 3.26Å; I50-F232 HydrophobicContact CD1-CE2 4.41Å; I50-F232 HydrophobicContact CG1-CE2 4.1Å; I50-F232 HydrophobicContact CG1-CZ 3.89Å; V228-F232 HydrophobicContact CG1-CD2 3.94Å; V228-F232 HydrophobicContact CG1-CE2 3.54Å; V228-F232 HydrophobicContact CG1-CZ 4.49Å; V228-F232 VanDerWaalsContact O-CD2 3.22Å; V228-F232 WeakPolarHBondContact O-CD2 3.24Å; V228-F232 PolarHBondContact O-N 2.99Å; V228-F232 VanDerWaalsContact O-N 3.09Å; F232-A234 PolarHBondContact O-N 3.47Å; F232-G235 PolarHBondContact O-N 3.07Å; F232-G235 VanDerWaalsContact O-N 3.14Å; F232-A236 WeakPolarHBondContact CD1-O 3.18Å; F232-V239 HydrophobicContact CD1-CG2 3.97Å; F232-V239 HydrophobicContact CD2-CG2 4.15Å; F232-V239 HydrophobicContact CE1-CB 4.47Å; F232-V239 HydrophobicContact CE1-CG2 3.69Å; F232-V239 HydrophobicContact CE2-CB 4.49Å; F232-V239 HydrophobicContact CE2-CG2 3.9Å; F232-V239 HydrophobicContact CG-CG2 4.18Å; F232-V239 HydrophobicContact CZ-CB 4.12Å; F232-V239 HydrophobicContact CZ-CG2 3.65Å; F232-L324 HydrophobicContact CB-CD1 4.24Å; F232-L324 HydrophobicContact CD1-CD2 4.5Å; F232-L324 HydrophobicContact CD2-CD1 4.08Å; F232-L324 HydrophobicContact CE1-CD2 4.31Å; F232-L324 HydrophobicContact CE2-CD2 4.32Å; F232-L324 HydrophobicContact CG-CD1 4.07Å; F232-L324 HydrophobicContact CZ-CD2 4.23Å; F232-L327 HydrophobicContact CB-CD2 3.68Å; F232-L327 HydrophobicContact CB-CG 4.47Å; F232-S328 WeakPolarHBondContact O-CB 3.49Å
233	G	98.8	Very high	98.7	Very high	6 Å²	6	13.2 Å²	13.2	6%	0.062	10%	0.098	C	C	.	.	H	α-helix	trans	-62	-29.6	176	0	0	0	0	0	113.6	S229 K230 A231 G235 S328 T331	S229-G233 PolarHBondContact O-N 3.46Å; K230-G233 CarbonylContact O-C 3.42Å; K230-G233 PolarHBondContact O-N 3.36Å; A231-G233 PolarHBondContact O-N 3.46Å; G233-G235 VanDerWaalsContact C-N 3.29Å; G233-S328 WeakPolarHBondContact O-CA 3.23Å; G233-T331 VanDerWaalsContact CA-OG1 3.25Å; G233-T331 WeakPolarHBondContact CA-OG1 3.23Å; G233-T331 WeakPolarHBondContact O-CB 3.32Å
234	A	98.9	Very high	98.7	Very high	11 Å²	11	9 Å²	9	9%	0.091	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-6	177.1	0	0	0	0	0	114.2	L199 V202 I203 K230 A231 F232 F333	L199-A234 HydrophobicContact CD1-CB 3.58Å; V202-A234 HydrophobicContact CB-CB 4.29Å; V202-A234 HydrophobicContact CG1-CB 3.6Å; I203-A234 HydrophobicContact CG1-CB 3.84Å; K230-A234 VanDerWaalsContact O-CB 3.26Å; K230-A234 WeakPolarHBondContact O-CB 3.4Å; K230-A234 PolarHBondContact O-N 2.88Å; A231-A234 WeakPolarHBondContact O-CB 3.46Å; A231-A234 PolarHBondContact O-N 3.24Å; F232-A234 PolarHBondContact O-N 3.47Å; A234-F333 HydrophobicContact CB-CE2 4.08Å; A234-F333 HydrophobicContact CB-CZ 4.09Å
235	G	98.8	Very high	98.8	Very high	10 Å²	10	7.4 Å²	7.4	10%	0.103	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.5	-0.2	176.9	0	0	0	0	0	114.8	H210 A231 F232 G233 D237	H210-G235 PolarHBondContact CE1-O 2.89Å; H210-G235 VanDerWaalsContact CE1-O 3.24Å; A231-G235 PolarHBondContact O-N 3.04Å; F232-G235 PolarHBondContact O-N 3.07Å; F232-G235 VanDerWaalsContact O-N 3.14Å; G233-G235 VanDerWaalsContact C-N 3.29Å; G235-D237 PolarHBondContact O-N 3.42Å
236	A	98.9	Very high	98.7	Very high	2 Å²	2	6.5 Å²	6.5	2%	0.017	6%	0.055	C	C	.	.			trans	-59.1	133.8	174.6	0	0	0	0	0	111.2	V202 I216 A231 F232 F238	V202-A236 HydrophobicContact CG1-CB 3.89Å; I216-A236 HydrophobicContact CD1-CB 4.37Å; I216-A236 HydrophobicContact CG1-CB 4.47Å; A231-A236 HydrophobicContact CB-CB 4.48Å; A231-A236 VanDerWaalsContact O-CB 3.25Å; A231-A236 WeakPolarHBondContact O-CB 3.45Å; A231-A236 PolarHBondContact O-N 3.3Å; A231-A236 VanDerWaalsContact O-N 3.11Å; F232-A236 WeakPolarHBondContact CD1-O 3.18Å; A236-F238 WeakPolarHBondContact CB-O 3.42Å
237	D	98.9	Very high	98.7	Very high	6 Å²	6	5.3 Å²	5.3	3%	0.032	4%	0.043	C	C	.	.	S	Bend	trans	-78.6	-36.7	174.1	-64.5	-69.5	0	0	0	110.9	R34 F36 P49 H210 H215 I216 G235	R34-D237 IonicContact NH2-OD1 3.29Å; F36-D237 HydrophobicContact CE1-CB 4.11Å; F36-D237 WeakPolarHBondContact CE1-OD1 3.4Å; F36-D237 HydrophobicContact CE2-CB 4.27Å; F36-D237 HydrophobicContact CZ-CB 3.67Å; P49-D237 WeakPolarHBondContact CB-O 3.36Å; P49-D237 VanDerWaalsContact CG-O 3.26Å; P49-D237 WeakPolarHBondContact CG-O 3.35Å; H210-D237 IonicContact CD2-OD2 3.77Å; H210-D237 IonicContact CE1-OD2 2.86Å; H210-D237 IonicContact NE2-OD1 3.9Å; H210-D237 PolarHBondContact NE2-OD1 2.8Å; H210-D237 IonicContact NE2-OD2 2.85Å; H210-D237 PolarHBondContact NE2-OD2 3.44Å; H215-D237 VanDerWaalsContact CA-OD2 3.22Å; H215-D237 WeakPolarHBondContact CA-OD2 3.22Å; H215-D237 HydrophobicContact CB-CB 4.02Å; H215-D237 WeakPolarHBondContact CB-OD2 3.26Å; H215-D237 IonicContact CD2-OD1 3.84Å; H215-D237 IonicContact CD2-OD2 2.69Å; H215-D237 IonicContact CG-OD2 2.86Å; I216-D237 PolarHBondContact N-OD2 2.82Å; I216-D237 WeakPolarHBondContact O-CB 3.18Å; I216-D237 PolarHBondContact O-N 2.89Å; I216-D237 VanDerWaalsContact O-N 3.17Å; G235-D237 PolarHBondContact O-N 3.42Å
238	F	98.9	Very high	98.7	Very high	1 Å²	1	5.1 Å²	5.1	0%	0.004	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	155.5	177.1	-60.5	-98.6	0	0	0	111.7	F36 F38 Y45 P49 I51 I175 I216 I217 S218 A236	F36-F238 HydrophobicContact CD2-CE1 4.47Å; F36-F238 AromaticContact CD2-CE2 3.8Å; F36-F238 HydrophobicContact CD2-CE2 3.8Å; F36-F238 AromaticContact CD2-CZ 3.55Å; F36-F238 HydrophobicContact CD2-CZ 3.55Å; F36-F238 HydrophobicContact CE2-CD2 4.39Å; F36-F238 HydrophobicContact CE2-CE1 4.28Å; F36-F238 AromaticContact CE2-CE2 3.67Å; F36-F238 HydrophobicContact CE2-CE2 3.67Å; F36-F238 AromaticContact CE2-CZ 3.61Å; F36-F238 HydrophobicContact CE2-CZ 3.61Å; F36-F238 HydrophobicContact CZ-CE2 4.46Å; F38-F238 HydrophobicContact CE1-CE2 4.32Å; F38-F238 HydrophobicContact CE1-CZ 4.38Å; F38-F238 HydrophobicContact CZ-CZ 4.23Å; Y45-F238 HydrophobicContact CD1-CE1 4.2Å; Y45-F238 HydrophobicContact CD1-CZ 4.06Å; Y45-F238 HydrophobicContact CD2-CE1 4.45Å; Y45-F238 AromaticContact CE1-CE1 3.8Å; Y45-F238 HydrophobicContact CE1-CE1 3.8Å; Y45-F238 HydrophobicContact CE1-CZ 4.1Å; Y45-F238 HydrophobicContact CE2-CE1 4.11Å; Y45-F238 HydrophobicContact CG-CE1 4.48Å; Y45-F238 HydrophobicContact CG-CZ 4.28Å; Y45-F238 AromaticContact CZ-CE1 3.75Å; P49-F238 HydrophobicContact CB-CB 4.33Å; P49-F238 HydrophobicContact CB-CD1 3.28Å; P49-F238 HydrophobicContact CB-CE1 3.64Å; P49-F238 HydrophobicContact CB-CG 3.84Å; P49-F238 HydrophobicContact CB-CZ 4.44Å; P49-F238 CarbonylContact O-C 3.52Å; P49-F238 WeakPolarHBondContact O-CA 3.3Å; I51-F238 HydrophobicContact CD1-CB 3.8Å; I51-F238 HydrophobicContact CD1-CD1 3.84Å; I51-F238 HydrophobicContact CD1-CG 4.01Å; I51-F238 HydrophobicContact CG1-CB 4.26Å; I51-F238 HydrophobicContact CG1-CD1 4.06Å; I175-F238 HydrophobicContact CD1-CE2 4.06Å; I175-F238 HydrophobicContact CD1-CZ 4.41Å; I175-F238 HydrophobicContact CG2-CD2 4.22Å; I175-F238 HydrophobicContact CG2-CE2 4.5Å; I216-F238 PolarHBondContact O-N 2.84Å; I217-F238 CarbonylContact C-O 3.55Å; I217-F238 WeakPolarHBondContact CA-O 3.44Å; I217-F238 HydrophobicContact CB-CB 4.28Å; I217-F238 HydrophobicContact CG1-CB 3.63Å; I217-F238 HydrophobicContact CG1-CD2 4.33Å; I217-F238 HydrophobicContact CG1-CG 4.2Å; I217-F238 HydrophobicContact CG2-CB 4.46Å; S218-F238 PolarHBondContact N-O 2.81Å; A236-F238 WeakPolarHBondContact CB-O 3.42Å
239	V	98.9	Very high	98.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.5	172.2	179.9	0	0	0	0	109.4	P49 I50 I51 V228 A231 F232 L241	P49-V239 PolarHBondContact O-N 2.83Å; I50-V239 CarbonylContact C-O 3.5Å; I50-V239 WeakPolarHBondContact CA-O 3.45Å; I51-V239 PolarHBondContact N-O 2.79Å; V228-V239 HydrophobicContact CG1-CB 4.27Å; V228-V239 HydrophobicContact CG1-CG1 4.19Å; V228-V239 HydrophobicContact CG1-CG2 4.29Å; V228-V239 HydrophobicContact CG2-CG1 4.4Å; A231-V239 HydrophobicContact CB-CG1 4.49Å; A231-V239 HydrophobicContact CB-CG2 3.62Å; F232-V239 HydrophobicContact CD1-CG2 3.97Å; F232-V239 HydrophobicContact CD2-CG2 4.15Å; F232-V239 HydrophobicContact CE1-CB 4.47Å; F232-V239 HydrophobicContact CE1-CG2 3.69Å; F232-V239 HydrophobicContact CE2-CB 4.49Å; F232-V239 HydrophobicContact CE2-CG2 3.9Å; F232-V239 HydrophobicContact CG-CG2 4.18Å; F232-V239 HydrophobicContact CZ-CB 4.12Å; F232-V239 HydrophobicContact CZ-CG2 3.65Å; V239-L241 HydrophobicContact CG1-CD2 3.88Å
240	M	98.9	Very high	98.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.4	179.2	176.6	174.9	-75.5	0	0	111.3	I51 A53 A75 K177 I217 S218 D219 G220	I51-M240 HydrophobicContact CB-CB 4.24Å; I51-M240 HydrophobicContact CB-CE 4.25Å; I51-M240 HydrophobicContact CG2-CE 3.61Å; I51-M240 CarbonylContact O-C 3.59Å; I51-M240 VanDerWaalsContact O-CA 3.28Å; I51-M240 WeakPolarHBondContact O-CA 3.48Å; A53-M240 HydrophobicContact CB-CG 3.67Å; A53-M240 HydrophobicContact CB-SD 3.97Å; A75-M240 HydrophobicContact CB-CE 3.95Å; K177-M240 HydrophobicContact CD-CE 3.93Å; K177-M240 HydrophobicContact CD-SD 4.12Å; I217-M240 HydrophobicContact CG2-CB 3.48Å; I217-M240 VanDerWaalsContact CG2-CB 3.48Å; S218-M240 PolarHBondContact O-N 2.84Å; D219-M240 HydrophobicContact CB-CB 4.23Å; D219-M240 HydrophobicContact CB-SD 4.4Å; D219-M240 WeakPolarHBondContact OD1-CG 3.2Å; G220-M240 PolarHBondContact N-O 3.46Å
241	L	98.9	Very high	98.6	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.01	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.7	-172.6	-58.5	-177.6	0	0	0	111.3	I50 I51 A53 C222 V228 V239 M244 L245	I50-L241 HydrophobicContact CG2-CD1 3.67Å; I50-L241 HydrophobicContact CG2-CG 4.13Å; I51-L241 PolarHBondContact O-N 3.41Å; A53-L241 WeakPolarHBondContact CB-O 3.48Å; A53-L241 PolarHBondContact N-O 2.92Å; C222-L241 HydrophobicContact CB-CD2 3.7Å; V228-L241 HydrophobicContact CG2-CD1 4.43Å; V228-L241 HydrophobicContact CG2-CD2 4.02Å; V239-L241 HydrophobicContact CG1-CD2 3.88Å; L241-M244 HydrophobicContact CD1-CB 4.46Å; L241-M244 HydrophobicContact CD1-SD 4.28Å; L241-M244 HydrophobicContact CD2-SD 3.89Å; L241-L245 HydrophobicContact CB-CD1 3.91Å; L241-L245 HydrophobicContact CB-CG 3.92Å
242	G	98.4	Very high	98.5	Very high	12 Å²	12	10.1 Å²	10.1	12%	0.124	8%	0.076	C	C	.	.	S	Bend	trans	-100.2	-81.9	167.5	0	0	0	0	0	111.3	M244 L245 A246	G242-M244 VanDerWaalsContact C-N 3.27Å; G242-M244 PolarHBondContact O-N 3.43Å; G242-M244 VanDerWaalsContact O-N 3.1Å; G242-L245 PolarHBondContact O-N 2.71Å; G242-A246 PolarHBondContact O-N 3.16Å
243	G	97.8	Very high	98.3	Very high	25 Å²	25	10.9 Å²	10.9	26%	0.258	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28	-171.1	0	0	0	0	0	116.3	L245 K298	G243-L245 VanDerWaalsContact C-N 3.3Å; G243-K298 PolarHBondContact O-NZ 3.04Å
244	M	98.5	Very high	98.1	Very high	19 Å²	19	17.1 Å²	17.1	9%	0.094	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-36.3	173.7	-69.3	-176.9	71.1	0	0	111.6	C222 V228 L241 G242 H248 K298 V308	C222-M244 HydrophobicContact CB-SD 4.06Å; V228-M244 HydrophobicContact CG2-SD 4.16Å; L241-M244 HydrophobicContact CD1-CB 4.46Å; L241-M244 HydrophobicContact CD1-SD 4.28Å; L241-M244 HydrophobicContact CD2-SD 3.89Å; G242-M244 VanDerWaalsContact C-N 3.27Å; G242-M244 PolarHBondContact O-N 3.43Å; G242-M244 VanDerWaalsContact O-N 3.1Å; M244-H248 PolarHBondContact O-CE1 2.89Å; M244-K298 PolarHBondContact O-NZ 2.92Å; M244-K298 VanDerWaalsContact O-NZ 3.09Å; M244-V308 HydrophobicContact CE-CG2 3.5Å; M244-V308 VanDerWaalsContact CE-CG2 3.5Å
245	L	98.7	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-10.1	-176.9	-58.3	-177.1	0	0	0	113.9	A52 V58 M63 L67 L241 G242 G243 H248 S251 V301 T304 I305	A52-L245 HydrophobicContact CB-CD1 3.74Å; V58-L245 HydrophobicContact CG1-CB 3.88Å; V58-L245 HydrophobicContact CG1-CD1 4.4Å; M63-L245 HydrophobicContact CE-CB 4.31Å; L67-L245 HydrophobicContact CD2-CD1 4.36Å; L241-L245 HydrophobicContact CB-CD1 3.91Å; L241-L245 HydrophobicContact CB-CG 3.92Å; G242-L245 PolarHBondContact O-N 2.71Å; G243-L245 VanDerWaalsContact C-N 3.3Å; L245-H248 PolarHBondContact O-ND1 3.13Å; L245-S251 PolarHBondContact O-OG 2.84Å; L245-V301 HydrophobicContact CD2-CG2 3.95Å; L245-T304 HydrophobicContact CD2-CG2 4.31Å; L245-I305 HydrophobicContact CD2-CD1 3.63Å
246	A	98.3	Very high	97.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	151.1	170.7	0	0	0	0	0	111.8	V58 G242 F266 K298	V58-A246 HydrophobicContact CG2-CB 4.24Å; G242-A246 PolarHBondContact O-N 3.16Å; A246-F266 HydrophobicContact CB-CB 4.05Å; A246-F266 HydrophobicContact CB-CD1 3.94Å; A246-F266 HydrophobicContact CB-CD2 3.46Å; A246-F266 VanDerWaalsContact CB-CD2 3.46Å; A246-F266 HydrophobicContact CB-CE1 4.27Å; A246-F266 HydrophobicContact CB-CE2 3.83Å; A246-F266 HydrophobicContact CB-CG 3.54Å; A246-F266 HydrophobicContact CB-CZ 4.23Å; A246-K298 WeakPolarHBondContact O-CE 3.38Å; A246-K298 PolarHBondContact O-NZ 2.87Å
247	G	97.9	Very high	97.5	Very high	3 Å²	3	28.6 Å²	28.6	3%	0.031	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	1	176.2	0	0	0	0	0	115.6	S251 K298	G247-S251 PolarHBondContact N-OG 3.35Å; G247-K298 PolarHBondContact O-N 2.83Å
248	H	98.7	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-93.8	169.6	-178.6	-60.9	95.8	0	0	0	112.6	M244 L245 E250 S251 K264 K298 G299 P300 V301 T304	M244-H248 PolarHBondContact O-CE1 2.89Å; L245-H248 PolarHBondContact O-ND1 3.13Å; H248-E250 WeakPolarHBondContact CB-OE2 3.49Å; H248-E250 PolarHBondContact O-N 3.22Å; H248-S251 PolarHBondContact N-OG 3.01Å; H248-S251 WeakPolarHBondContact O-CB 3.22Å; H248-S251 PolarHBondContact O-N 2.93Å; H248-S251 PolarHBondContact O-OG 3.2Å; H248-K264 WeakPolarHBondContact O-CD 3.4Å; H248-K264 WeakPolarHBondContact O-CE 3.34Å; H248-K264 PolarHBondContact O-NZ 2.9Å; H248-K298 VanDerWaalsContact CD2-CB 3.44Å; H248-K298 WeakPolarHBondContact CD2-CB 3.28Å; H248-K298 VanDerWaalsContact CE1-CD 3.46Å; H248-K298 WeakPolarHBondContact CE1-CD 3.38Å; H248-K298 WeakPolarHBondContact NE2-CB 3.13Å; H248-K298 WeakPolarHBondContact NE2-CD 3.37Å; H248-G299 CarbonylContact C-O 3.58Å; H248-G299 WeakPolarHBondContact CA-O 3.33Å; H248-G299 VanDerWaalsContact CB-O 3.26Å; H248-G299 WeakPolarHBondContact CB-O 3.35Å; H248-G299 PolarHBondContact CD2-O 2.65Å; H248-P300 PolarHBondContact CD2-O 3.44Å; H248-V301 HydrophobicContact CB-CB 3.93Å; H248-V301 HydrophobicContact CB-CG2 4.41Å; H248-V301 VanDerWaalsContact CD2-CA 3.48Å; H248-V301 WeakPolarHBondContact CD2-CA 3.45Å; H248-T304 PolarHBondContact CE1-OG1 3.48Å; H248-T304 WeakPolarHBondContact NE2-CB 3.21Å; H248-T304 PolarHBondContact NE2-OG1 3.2Å
249	S	98.3	Very high	96.9	Very high	49 Å²	49	38.8 Å²	38.8	34%	0.343	23%	0.225	S	C	.	.	S	Bend	trans	-51.2	-46.2	174.2	-52.3	0	0	0	0	111.6	K264 Y297 G299	S249-K264 PolarHBondContact O-NZ 3.12Å; S249-Y297 PolarHBondContact OG-OH 2.93Å; S249-G299 PolarHBondContact N-O 3.25Å; S249-G299 VanDerWaalsContact OG-C 3.27Å; S249-G299 PolarHBondContact OG-O 3.18Å
250	E	98.6	Very high	96.6	Very high	35 Å²	35	41.9 Å²	41.9	16%	0.164	26%	0.257	C	S	.	.	S	Bend	trans	-79.9	-18.1	-174.1	-55.9	80.1	-176.9	0	0	112.9	T60 E62 M63 A66 H248 V301	T60-E250 PolarHBondContact OG1-O 2.87Å; E62-E250 HydrophobicContact CB-CB 4.08Å; M63-E250 HydrophobicContact CE-CB 4.12Å; A66-E250 HydrophobicContact CB-CG 3.96Å; H248-E250 WeakPolarHBondContact CB-OE2 3.49Å; H248-E250 PolarHBondContact O-N 3.22Å; E250-V301 HydrophobicContact CB-CG1 4.49Å; E250-V301 HydrophobicContact CG-CG1 4.12Å; E250-V301 PolarHBondContact OE1-N 3.49Å; E250-V301 WeakPolarHBondContact OE2-CB 3.19Å; E250-V301 PolarHBondContact OE2-N 3.06Å
251	S	98	Very high	96.5	Very high	8 Å²	8	48.4 Å²	48.4	6%	0.056	29%	0.285	C	S	.	.	S	Bend	trans	-62.7	153.4	174.8	-53.2	0	0	0	0	111	T57 L245 G247 H248 K264	T57-S251 VanDerWaalsContact O-CB 3.29Å; T57-S251 WeakPolarHBondContact O-CB 3.34Å; L245-S251 PolarHBondContact O-OG 2.84Å; G247-S251 PolarHBondContact N-OG 3.35Å; H248-S251 PolarHBondContact N-OG 3.01Å; H248-S251 WeakPolarHBondContact O-CB 3.22Å; H248-S251 PolarHBondContact O-N 2.93Å; H248-S251 PolarHBondContact O-OG 3.2Å; S251-K264 PolarHBondContact O-NZ 3.28Å
252	G	96.7	Very high	96.4	Very high	18 Å²	18	53.7 Å²	53.7	19%	0.186	31%	0.308	C	S	.	.			trans	-70.8	-164.8	161.3	0	0	0	0	0	111.8	T57 K264	T57-G252 PolarHBondContact O-N 3.45Å; T57-G252 VanDerWaalsContact O-N 3.08Å; G252-K264 WeakPolarHBondContact O-CE 3.02Å
253	G	94.4	Very high	96.3	Very high	20 Å²	20	55.7 Å²	55.7	21%	0.206	31%	0.312	C	S	.	.	S	Bend	trans	82.4	139.5	178.4	0	0	0	0	0	113.4	K264	G253-K264 WeakPolarHBondContact O-CE 3.31Å
254	E	93.9	Very high	96.3	Very high	138 Å²	138	55 Å²	55	65%	0.645	30%	0.302	S	S	*	.			trans	-66	139.1	-176.7	-169.3	179.3	177.1	0	0	111.4	K264 L265	E254-K264 WeakPolarHBondContact O-CA 3.44Å; E254-L265 HydrophobicContact CB-CD1 4.14Å; E254-L265 PolarHBondContact O-N 2.95Å
255	I	94.9	Very high	96.2	Very high	92 Å²	92	55.7 Å²	55.7	47%	0.472	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.1	170.7	-63.9	172.7	0	0	0	108.3	K262 Y263 K264	I255-K262 HydrophobicContact CG2-CB 4.5Å; I255-Y263 CarbonylContact C-O 3.54Å; I255-Y263 VanDerWaalsContact CA-O 3.28Å; I255-Y263 WeakPolarHBondContact CA-O 3.37Å; I255-K264 HydrophobicContact CG1-CD 4.14Å; I255-K264 HydrophobicContact CG1-CG 3.91Å
256	I	94.6	Very high	96.2	Very high	38 Å²	38	55.9 Å²	55.9	20%	0.195	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.4	176.8	-55.4	178.4	0	0	0	108.7	K258 K262 Y263 L265 E294	I256-K258 HydrophobicContact CG2-CD 4.34Å; I256-K258 HydrophobicContact CG2-CG 4.01Å; I256-K262 CarbonylContact O-C 3.58Å; I256-Y263 PolarHBondContact N-O 3.13Å; I256-Y263 PolarHBondContact O-N 3.34Å; I256-L265 HydrophobicContact CD1-CD1 4.01Å; I256-L265 HydrophobicContact CD1-CD2 3.51Å; I256-L265 HydrophobicContact CD1-CG 3.55Å; I256-L265 HydrophobicContact CG1-CG 4.3Å; I256-E294 HydrophobicContact CD1-CG 4.47Å
257	E	95	Very high	96.1	Very high	133 Å²	133	56.1 Å²	56.1	62%	0.621	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.2	171.7	-166.1	168.3	166.4	0	0	110.7	K261	E257-K261 WeakPolarHBondContact CA-O 3.43Å
258	K	92.8	Very high	95.8	Very high	92 Å²	92	56.3 Å²	56.3	40%	0.4	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	124.5	178	-75.3	-178.5	-177.9	177.8	0	110.1	I256 G260 K261 Y263 E294	I256-K258 HydrophobicContact CG2-CD 4.34Å; I256-K258 HydrophobicContact CG2-CG 4.01Å; K258-G260 PolarHBondContact O-N 3.37Å; K258-K261 PolarHBondContact N-O 2.92Å; K258-K261 PolarHBondContact O-N 3.44Å; K258-Y263 HydrophobicContact CB-CD2 4.32Å; K258-Y263 HydrophobicContact CB-CE2 4.08Å; K258-E294 WeakPolarHBondContact CD-OE2 2.96Å; K258-E294 WeakPolarHBondContact CE-OE2 3.35Å; K258-E294 IonicContact NZ-OE1 2.6Å; K258-E294 PolarHBondContact NZ-OE1 2.95Å; K258-E294 IonicContact NZ-OE2 2.75Å; K258-E294 PolarHBondContact NZ-OE2 3.01Å
259	S	92.6	Very high	95.5	Very high	130 Å²	130	59 Å²	59	91%	0.909	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.3	178.3	-51.2	0	0	0	0	113.1	K261	S259-K261 PolarHBondContact O-N 3.39Å
260	G	93.5	Very high	94.9	Very high	65 Å²	65	59.3 Å²	59.3	67%	0.67	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	8.8	-179	0	0	0	0	0	115.4	K258	K258-G260 PolarHBondContact O-N 3.37Å
261	K	95.8	Very high	94.1	Very high	136 Å²	136	57.7 Å²	57.7	59%	0.591	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.7	174.2	-66.6	-176.1	-179.9	-176.1	0	110.5	E257 K258 S259 Y263	E257-K261 WeakPolarHBondContact CA-O 3.43Å; K258-K261 PolarHBondContact N-O 2.92Å; K258-K261 PolarHBondContact O-N 3.44Å; S259-K261 PolarHBondContact O-N 3.39Å; K261-Y263 HydrophobicContact CB-CD2 4.45Å; K261-Y263 HydrophobicContact CB-CE2 3.6Å; K261-Y263 WeakPolarHBondContact O-CD2 3.26Å
262	K	96.8	Very high	93.4	Very high	114 Å²	114	60.6 Å²	60.6	50%	0.496	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.9	174.5	-66	-177.3	-179.4	-178.3	0	110.5	I255 I256 Y297	I255-K262 HydrophobicContact CG2-CB 4.5Å; I256-K262 CarbonylContact O-C 3.58Å; K262-Y297 HydrophobicContact CB-CG 4.22Å; K262-Y297 WeakPolarHBondContact O-CB 3.46Å; K262-Y297 PolarHBondContact O-N 3.07Å
263	Y	97.4	Very high	92.8	Very high	54 Å²	54	62.2 Å²	62.2	21%	0.212	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.6	175.7	-62	-95.2	0	0	0	109	I255 I256 K258 K261 E294 V295 P296	I255-Y263 CarbonylContact C-O 3.54Å; I255-Y263 VanDerWaalsContact CA-O 3.28Å; I255-Y263 WeakPolarHBondContact CA-O 3.37Å; I256-Y263 PolarHBondContact N-O 3.13Å; I256-Y263 PolarHBondContact O-N 3.34Å; K258-Y263 HydrophobicContact CB-CD2 4.32Å; K258-Y263 HydrophobicContact CB-CE2 4.08Å; K261-Y263 HydrophobicContact CB-CD2 4.45Å; K261-Y263 HydrophobicContact CB-CE2 3.6Å; K261-Y263 WeakPolarHBondContact O-CD2 3.26Å; Y263-E294 HydrophobicContact CD1-CB 4.08Å; Y263-E294 HydrophobicContact CG-CB 4.33Å; Y263-V295 CarbonylContact C-O 3.52Å; Y263-V295 WeakPolarHBondContact CA-O 3.27Å; Y263-P296 HydrophobicContact CD1-CB 4.47Å; Y263-P296 HydrophobicContact CD1-CG 4.31Å; Y263-P296 HydrophobicContact CE1-CB 4.43Å; Y263-P296 HydrophobicContact CE1-CG 4.09Å
264	K	97.5	Very high	92.4	Very high	10 Å²	10	61.4 Å²	61.4	4%	0.043	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.9	164.2	-63.3	-171.7	67	160.2	0	110.5	H248 S249 S251 G252 G253 E254 I255 V295 Y297	H248-K264 WeakPolarHBondContact O-CD 3.4Å; H248-K264 WeakPolarHBondContact O-CE 3.34Å; H248-K264 PolarHBondContact O-NZ 2.9Å; S249-K264 PolarHBondContact O-NZ 3.12Å; S251-K264 PolarHBondContact O-NZ 3.28Å; G252-K264 WeakPolarHBondContact O-CE 3.02Å; G253-K264 WeakPolarHBondContact O-CE 3.31Å; E254-K264 WeakPolarHBondContact O-CA 3.44Å; I255-K264 HydrophobicContact CG1-CD 4.14Å; I255-K264 HydrophobicContact CG1-CG 3.91Å; K264-V295 PolarHBondContact N-O 3.36Å; K264-V295 PolarHBondContact O-N 3.49Å; K264-Y297 HydrophobicContact CD-CD2 3.96Å; K264-Y297 HydrophobicContact CD-CE2 4.27Å; K264-Y297 HydrophobicContact CG-CD2 4.1Å
265	L	96.5	Very high	92.1	Very high	34 Å²	34	55.7 Å²	55.7	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	132.3	172.2	-72.5	-180	0	0	0	110.9	E254 I256 T292 E294	E254-L265 HydrophobicContact CB-CD1 4.14Å; E254-L265 PolarHBondContact O-N 2.95Å; I256-L265 HydrophobicContact CD1-CD1 4.01Å; I256-L265 HydrophobicContact CD1-CD2 3.51Å; I256-L265 HydrophobicContact CD1-CG 3.55Å; I256-L265 HydrophobicContact CG1-CG 4.3Å; L265-T292 HydrophobicContact CD2-CG2 4.09Å; L265-E294 HydrophobicContact CD2-CG 4.01Å
266	F	97.3	Very high	91.6	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131	172.1	178.4	-127.8	0	0	0	109.4	M55 T57 V58 S184 V185 A246 V293 V295	M55-F266 HydrophobicContact CE-CD2 4.33Å; M55-F266 HydrophobicContact CE-CE2 3.37Å; M55-F266 HydrophobicContact CE-CZ 3.68Å; M55-F266 HydrophobicContact SD-CE2 3.71Å; M55-F266 HydrophobicContact SD-CZ 3.85Å; T57-F266 WeakPolarHBondContact OG1-CD2 3.36Å; V58-F266 HydrophobicContact CG2-CD2 4.46Å; V58-F266 HydrophobicContact CG2-CE2 3.86Å; S184-F266 WeakPolarHBondContact OG-CE1 3.4Å; V185-F266 HydrophobicContact CB-CE1 4.15Å; V185-F266 HydrophobicContact CG1-CD1 3.43Å; V185-F266 VanDerWaalsContact CG1-CD1 3.43Å; V185-F266 HydrophobicContact CG1-CE1 3.42Å; V185-F266 VanDerWaalsContact CG1-CE1 3.42Å; V185-F266 HydrophobicContact CG1-CG 4.3Å; V185-F266 HydrophobicContact CG1-CZ 4.3Å; V185-F266 HydrophobicContact CG2-CD1 4.31Å; V185-F266 HydrophobicContact CG2-CE1 3.62Å; V185-F266 HydrophobicContact CG2-CE2 4.38Å; V185-F266 HydrophobicContact CG2-CZ 3.66Å; A246-F266 HydrophobicContact CB-CB 4.05Å; A246-F266 HydrophobicContact CB-CD1 3.94Å; A246-F266 HydrophobicContact CB-CD2 3.46Å; A246-F266 VanDerWaalsContact CB-CD2 3.46Å; A246-F266 HydrophobicContact CB-CE1 4.27Å; A246-F266 HydrophobicContact CB-CE2 3.83Å; A246-F266 HydrophobicContact CB-CG 3.54Å; A246-F266 HydrophobicContact CB-CZ 4.23Å; F266-V293 HydrophobicContact CB-CG2 4.03Å; F266-V293 HydrophobicContact CD1-CG2 3.91Å; F266-V293 HydrophobicContact CG-CG2 4.44Å; F266-V293 PolarHBondContact N-O 2.94Å; F266-V293 WeakPolarHBondContact O-CG2 3.31Å; F266-V293 PolarHBondContact O-N 3.44Å; F266-V295 HydrophobicContact CB-CG2 3.64Å; F266-V295 HydrophobicContact CD1-CG2 4.17Å; F266-V295 HydrophobicContact CG-CG2 4.28Å
267	Y	95.9	Very high	91.3	Very high	5 Å²	5	63.8 Å²	63.8	2%	0.02	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.5	-174.1	51.5	-99.7	0	0	0	112.4	M55 D56 T57 T273 A274 R277 K291 T292	M55-Y267 WeakPolarHBondContact CE-O 3.28Å; D56-Y267 WeakPolarHBondContact OD1-CE2 3.38Å; D56-Y267 PolarHBondContact OD1-OH 2.99Å; D56-Y267 WeakPolarHBondContact OD2-CE2 3.48Å; D56-Y267 PolarHBondContact OD2-OH 3.31Å; T57-Y267 HydrophobicContact CG2-CD1 4.22Å; T57-Y267 HydrophobicContact CG2-CE1 3.71Å; T57-Y267 HydrophobicContact CG2-CE2 4.44Å; Y267-T273 HydrophobicContact CD1-CG2 3.71Å; Y267-T273 HydrophobicContact CD2-CG2 4.36Å; Y267-T273 HydrophobicContact CE1-CG2 3.87Å; Y267-T273 HydrophobicContact CG-CG2 3.97Å; Y267-A274 HydrophobicContact CD2-CB 3.96Å; Y267-A274 HydrophobicContact CE2-CB 3.97Å; Y267-R277 PolarHBondContact OH-NH1 2.67Å; Y267-K291 VanDerWaalsContact CA-O 3.29Å; Y267-K291 WeakPolarHBondContact CA-O 3.24Å; Y267-T292 WeakPolarHBondContact CB-OG1 3.1Å
268	G	91.9	Very high	90.9	Very high	7 Å²	7	60.9 Å²	60.9	7%	0.072	32%	0.316	C	S	.	.			trans	-70.4	146.4	174.2	0	0	0	0	0	111.8	S270 S271 K291	G268-S270 PolarHBondContact O-N 3.16Å; G268-S271 WeakPolarHBondContact O-CB 3.45Å; G268-S271 PolarHBondContact O-N 2.8Å; G268-S271 PolarHBondContact O-OG 3.49Å; G268-K291 PolarHBondContact N-O 2.8Å; G268-K291 VanDerWaalsContact N-O 3.12Å
269	M	92.3	Very high	90.2	Very high	58 Å²	58	60 Å²	60	29%	0.286	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19	-178.8	-60.9	-50.1	-62.8	0	0	113.8	M55 D56 H79 A274	M55-M269 HydrophobicContact CB-CG 4.35Å; M55-M269 HydrophobicContact CB-SD 4.07Å; M55-M269 HydrophobicContact CG-CG 4.22Å; D56-M269 HydrophobicContact CB-CE 4.19Å; D56-M269 HydrophobicContact CB-SD 4.49Å; H79-M269 WeakPolarHBondContact NE2-CE 3.36Å; M269-A274 VanDerWaalsContact O-CB 3.23Å; M269-A274 WeakPolarHBondContact O-CB 3.48Å
270	S	85.5	Confident	89.5	Confident	54 Å²	54	57.8 Å²	57.8	38%	0.378	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	23.7	170.5	-52.8	0	0	0	0	113.1	G268 E289 G290	G268-S270 PolarHBondContact O-N 3.16Å; S270-E289 PolarHBondContact O-N 3.08Å; S270-G290 PolarHBondContact O-N 3.5Å; S270-G290 VanDerWaalsContact O-N 3.11Å
271	S	82.9	Confident	88.8	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.014	30%	0.301	C	S	.	.	S	Bend	trans	-86.8	161.7	174.6	67.2	0	0	0	0	112	G268 T273 A274 M275 S288	G268-S271 WeakPolarHBondContact O-CB 3.45Å; G268-S271 PolarHBondContact O-N 2.8Å; G268-S271 PolarHBondContact O-OG 3.49Å; S271-T273 PolarHBondContact O-N 3.01Å; S271-A274 PolarHBondContact O-N 2.87Å; S271-A274 PolarHBondContact OG-N 3.22Å; S271-A274 VanDerWaalsContact OG-N 3.17Å; S271-M275 WeakPolarHBondContact O-CG 3.11Å; S271-M275 PolarHBondContact O-N 3.24Å; S271-S288 WeakPolarHBondContact CA-OG 3.49Å
272	D	82.9	Confident	87.7	Confident	69 Å²	69	51.5 Å²	51.5	37%	0.369	29%	0.287	S	S	.	.	H	α-helix	trans	-58.3	-36	173.4	-64.2	1.7	0	0	0	111.3	K276 V282 S288	D272-K276 VanDerWaalsContact O-CB 3.26Å; D272-K276 WeakPolarHBondContact O-CB 3.14Å; D272-K276 WeakPolarHBondContact O-CG 3.4Å; D272-K276 PolarHBondContact O-N 2.9Å; D272-V282 HydrophobicContact CB-CG2 4.13Å; D272-V282 WeakPolarHBondContact OD1-CG2 3.28Å; D272-S288 PolarHBondContact N-OG 3.44Å; D272-S288 WeakPolarHBondContact OD1-CB 3.3Å; D272-S288 PolarHBondContact OD1-OG 2.83Å
273	T	84.9	Confident	86.7	Confident	52 Å²	52	47.9 Å²	47.9	32%	0.319	28%	0.279	S	S	.	.	H	α-helix	trans	-61.6	-50.6	176.6	-59.9	0	0	0	0	110.9	Y267 S271 R277 T292	Y267-T273 HydrophobicContact CD1-CG2 3.71Å; Y267-T273 HydrophobicContact CD2-CG2 4.36Å; Y267-T273 HydrophobicContact CE1-CG2 3.87Å; Y267-T273 HydrophobicContact CG-CG2 3.97Å; S271-T273 PolarHBondContact O-N 3.01Å; T273-R277 WeakPolarHBondContact O-CB 3.41Å; T273-R277 PolarHBondContact O-N 3.07Å; T273-R277 VanDerWaalsContact O-N 3.11Å; T273-T292 PolarHBondContact OG1-OG1 2.67Å
274	A	85.1	Confident	85.6	Confident	2 Å²	2	53.7 Å²	53.7	2%	0.017	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-44.3	179.3	0	0	0	0	0	112.1	Y267 M269 S271 K276 R277 H278	Y267-A274 HydrophobicContact CD2-CB 3.96Å; Y267-A274 HydrophobicContact CE2-CB 3.97Å; M269-A274 VanDerWaalsContact O-CB 3.23Å; M269-A274 WeakPolarHBondContact O-CB 3.48Å; S271-A274 PolarHBondContact O-N 2.87Å; S271-A274 PolarHBondContact OG-N 3.22Å; S271-A274 VanDerWaalsContact OG-N 3.17Å; A274-K276 PolarHBondContact O-N 3.42Å; A274-R277 PolarHBondContact O-N 2.89Å; A274-H278 WeakPolarHBondContact O-CB 3.37Å; A274-H278 PolarHBondContact O-CD2 2.91Å; A274-H278 VanDerWaalsContact O-CD2 3.28Å; A274-H278 PolarHBondContact O-N 3.32Å
275	M	86.9	Confident	84.6	Confident	19 Å²	19	61.8 Å²	61.8	9%	0.094	35%	0.345	C	S	.	.	H	α-helix	trans	-66.1	-37.9	179.8	-72.2	-173	-80.6	0	0	112.6	S271 R277 A279 G280 G281 V282	S271-M275 WeakPolarHBondContact O-CG 3.11Å; S271-M275 PolarHBondContact O-N 3.24Å; M275-R277 VanDerWaalsContact C-N 3.33Å; M275-A279 CarbonylContact O-C 3.49Å; M275-A279 VanDerWaalsContact O-CA 3.3Å; M275-A279 WeakPolarHBondContact O-CA 3.26Å; M275-A279 WeakPolarHBondContact O-CB 3.37Å; M275-A279 PolarHBondContact O-N 3.47Å; M275-G280 PolarHBondContact O-N 2.86Å; M275-G281 PolarHBondContact O-N 3.1Å; M275-V282 HydrophobicContact CB-CG2 4.33Å; M275-V282 HydrophobicContact CE-CB 4.31Å; M275-V282 HydrophobicContact CE-CG1 3.91Å; M275-V282 HydrophobicContact CE-CG2 3.66Å; M275-V282 HydrophobicContact SD-CG1 4.21Å; M275-V282 HydrophobicContact SD-CG2 4.28Å
276	K	85.6	Confident	83.7	Confident	142 Å²	142	67 Å²	67	62%	0.617	36%	0.362	S	S	*	.	H	α-helix	trans	-63.4	-39.9	172	-76.5	172.5	-178.3	178	0	112	D272 A274	D272-K276 VanDerWaalsContact O-CB 3.26Å; D272-K276 WeakPolarHBondContact O-CB 3.14Å; D272-K276 WeakPolarHBondContact O-CG 3.4Å; D272-K276 PolarHBondContact O-N 2.9Å; A274-K276 PolarHBondContact O-N 3.42Å
277	R	87.3	Confident	82.7	Confident	157 Å²	157	69.9 Å²	69.9	59%	0.592	39%	0.387	S	S	*	.	H	α-helix	trans	-69.9	-39.5	-178.7	-170.8	174.4	-177.1	176	0.8	112.7	D56 Y267 T273 A274 M275	D56-R277 IonicContact OD2-NH1 3.92Å; Y267-R277 PolarHBondContact OH-NH1 2.67Å; T273-R277 WeakPolarHBondContact O-CB 3.41Å; T273-R277 PolarHBondContact O-N 3.07Å; T273-R277 VanDerWaalsContact O-N 3.11Å; A274-R277 PolarHBondContact O-N 2.89Å; M275-R277 VanDerWaalsContact C-N 3.33Å
278	H	87.9	Confident	82.3	Confident	72 Å²	72	70.5 Å²	70.5	33%	0.333	39%	0.392	S	S	.	.	H	α-helix	trans	-115.3	-16.8	-166.5	-59	-58	0	0	0	115	D56 H79 A274	D56-H278 IonicContact OD2-CD2 3.69Å; D56-H278 IonicContact OD2-CE1 2.8Å; D56-H278 IonicContact OD2-NE2 3.46Å; D56-H278 PolarHBondContact OD2-NE2 3.09Å; H79-H278 AromaticContact CD2-CE1 3.82Å; H79-H278 AromaticContact CD2-NE2 3.84Å; H79-H278 AromaticContact CE1-CD2 3.54Å; H79-H278 AromaticContact CE1-CE1 3.74Å; H79-H278 AromaticContact CE1-CG 3.37Å; H79-H278 AromaticContact CE1-ND1 3.53Å; H79-H278 AromaticContact CE1-NE2 3.77Å; H79-H278 AromaticContact CG-CE1 3.59Å; H79-H278 AromaticContact CG-ND1 3.83Å; H79-H278 AromaticContact ND1-CE1 3.55Å; H79-H278 AromaticContact ND1-CG 3.65Å; H79-H278 AromaticContact ND1-ND1 3.3Å; H79-H278 PolarHBondContact ND1-ND1 3.04Å; H79-H278 AromaticContact NE2-CD2 3.71Å; H79-H278 AromaticContact NE2-CE1 3.93Å; H79-H278 AromaticContact NE2-CG 4Å; H79-H278 AromaticContact NE2-NE2 3.67Å; A274-H278 WeakPolarHBondContact O-CB 3.37Å; A274-H278 PolarHBondContact O-CD2 2.91Å; A274-H278 VanDerWaalsContact O-CD2 3.28Å; A274-H278 PolarHBondContact O-N 3.32Å
279	A	78.3	Confident	82.2	Confident	75 Å²	75	72.9 Å²	72.9	62%	0.62	40%	0.401	S	S	*	.	H	α-helix	trans	-132.3	12.1	-173.1	0	0	0	0	0	113.8	M275 G281	M275-A279 CarbonylContact O-C 3.49Å; M275-A279 VanDerWaalsContact O-CA 3.3Å; M275-A279 WeakPolarHBondContact O-CA 3.26Å; M275-A279 WeakPolarHBondContact O-CB 3.37Å; M275-A279 PolarHBondContact O-N 3.47Å; A279-G281 PolarHBondContact O-N 2.96Å
280	G	77.7	Confident	82.1	Confident	82 Å²	82	70.5 Å²	70.5	85%	0.845	39%	0.391	S	S	*	.	S	Bend	trans	75.3	3.1	177.7	0	0	0	0	0	115.4	M275	M275-G280 PolarHBondContact O-N 2.86Å
281	G	77.3	Confident	82.4	Confident	20 Å²	20	72.4 Å²	72.4	21%	0.206	39%	0.393	C	S	.	.	S	Bend	trans	138.7	-175.7	179.9	0	0	0	0	0	113.2	M275 A279	M275-G281 PolarHBondContact O-N 3.1Å; A279-G281 PolarHBondContact O-N 2.96Å
282	V	73.1	Confident	82.9	Confident	50 Å²	50	75.2 Å²	75.2	30%	0.303	41%	0.409	S	S	.	.			trans	-90.6	118.2	173.5	-171.9	0	0	0	0	107.8	D272 M275 R286	D272-V282 HydrophobicContact CB-CG2 4.13Å; D272-V282 WeakPolarHBondContact OD1-CG2 3.28Å; M275-V282 HydrophobicContact CB-CG2 4.33Å; M275-V282 HydrophobicContact CE-CB 4.31Å; M275-V282 HydrophobicContact CE-CG1 3.91Å; M275-V282 HydrophobicContact CE-CG2 3.66Å; M275-V282 HydrophobicContact SD-CG1 4.21Å; M275-V282 HydrophobicContact SD-CG2 4.28Å; V282-R286 HydrophobicContact CG1-CB 4.32Å; V282-R286 WeakPolarHBondContact CG1-O 3.25Å
283	A	75.9	Confident	83.5	Confident	38 Å²	38	74.1 Å²	74.1	31%	0.314	41%	0.405	S	S	.	.			trans	-64	145.4	175.2	0	0	0	0	0	110.8	Y285 R286	A283-Y285 HydrophobicContact CB-CD1 3.9Å; A283-Y285 HydrophobicContact CB-CE1 3.54Å; A283-Y285 PolarHBondContact O-N 2.82Å; A283-R286 HydrophobicContact CB-CG 4.36Å; A283-R286 PolarHBondContact O-N 3.37Å
284	D	75.3	Confident	84.1	Confident	175 Å²	175	75.4 Å²	75.4	94%	0.936	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.5	-173.2	-65.5	-25.2	0	0	0	114.4
285	Y	76	Confident	84.6	Confident	181 Å²	181	76.2 Å²	76.2	71%	0.71	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-2.1	179.8	68.7	-92.1	0	0	0	113.8	A283	A283-Y285 HydrophobicContact CB-CD1 3.9Å; A283-Y285 HydrophobicContact CB-CE1 3.54Å; A283-Y285 PolarHBondContact O-N 2.82Å
286	R	77.1	Confident	85.1	Confident	144 Å²	144	79.1 Å²	79.1	54%	0.543	43%	0.433	S	S	.	.			trans	-108.5	140.2	-178.7	-67.3	-170.1	-179.9	-169.5	-2.5	111.4	V282 A283	V282-R286 HydrophobicContact CG1-CB 4.32Å; V282-R286 WeakPolarHBondContact CG1-O 3.25Å; A283-R286 HydrophobicContact CB-CG 4.36Å; A283-R286 PolarHBondContact O-N 3.37Å
287	A	76.8	Confident	85.7	Confident	64 Å²	64	76.5 Å²	76.5	53%	0.529	42%	0.42	S	S	.	.			trans	-102.3	146.4	167.3	0	0	0	0	0	110.3	E289	A287-E289 PolarHBondContact O-N 3.49Å
288	S	88.1	Confident	86.2	Confident	18 Å²	18	72.8 Å²	72.8	13%	0.126	41%	0.408	C	S	.	.			trans	-63.2	120.9	171.3	-143.6	0	0	0	0	110.8	T187 K191 S271 D272	T187-S288 PolarHBondContact OG1-O 3.02Å; K191-S288 VanDerWaalsContact CE-O 3.26Å; K191-S288 WeakPolarHBondContact CE-O 3.43Å; K191-S288 WeakPolarHBondContact CG-O 3.48Å; S271-S288 WeakPolarHBondContact CA-OG 3.49Å; D272-S288 PolarHBondContact N-OG 3.44Å; D272-S288 WeakPolarHBondContact OD1-CB 3.3Å; D272-S288 PolarHBondContact OD1-OG 2.83Å
289	E	88.4	Confident	86.6	Confident	56 Å²	56	69.9 Å²	69.9	26%	0.262	40%	0.397	S	S	.	.			trans	-108.3	11.1	173.9	-69.9	-171.6	-128.3	0	0	112.2	T187 T188 K191 S270 A287	T187-E289 PolarHBondContact N-O 3.2Å; T187-E289 WeakPolarHBondContact OG1-CA 3.49Å; T187-E289 PolarHBondContact OG1-O 2.94Å; T188-E289 VanDerWaalsContact CB-OE2 3.24Å; T188-E289 WeakPolarHBondContact CB-OE2 3.28Å; T188-E289 WeakPolarHBondContact CG2-OE2 3.41Å; T188-E289 PolarHBondContact OG1-OE2 2.82Å; K191-E289 HydrophobicContact CB-CG 4.44Å; S270-E289 PolarHBondContact O-N 3.08Å; A287-E289 PolarHBondContact O-N 3.49Å
290	G	90	Very high	87.6	Confident	8 Å²	8	69.1 Å²	69.1	8%	0.082	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-120.9	166.5	171.2	0	0	0	0	0	112.1	V185 T187 S270	V185-G290 CarbonylContact O-C 3.59Å; V185-G290 VanDerWaalsContact O-CA 3.31Å; V185-G290 WeakPolarHBondContact O-CA 3.46Å; T187-G290 PolarHBondContact OG1-N 2.9Å; S270-G290 PolarHBondContact O-N 3.5Å; S270-G290 VanDerWaalsContact O-N 3.11Å
291	K	91.9	Very high	88.6	Confident	95 Å²	95	65.2 Å²	65.2	41%	0.413	35%	0.346	S	S	.	.			trans	-128.6	164.4	166.2	64	179.7	178	-175.8	0	110	S184 V185 T187 Y267 G268 V293	S184-K291 WeakPolarHBondContact O-CE 3.44Å; S184-K291 PolarHBondContact O-NZ 3.25Å; S184-K291 VanDerWaalsContact O-NZ 3.08Å; V185-K291 HydrophobicContact CB-CG 4.18Å; V185-K291 HydrophobicContact CG1-CG 4.41Å; V185-K291 PolarHBondContact O-N 2.77Å; T187-K291 HydrophobicContact CG2-CB 3.97Å; T187-K291 HydrophobicContact CG2-CD 4.3Å; T187-K291 HydrophobicContact CG2-CG 4.17Å; Y267-K291 VanDerWaalsContact CA-O 3.29Å; Y267-K291 WeakPolarHBondContact CA-O 3.24Å; G268-K291 PolarHBondContact N-O 2.8Å; G268-K291 VanDerWaalsContact N-O 3.12Å; K291-V293 HydrophobicContact CD-CG1 4.27Å; K291-V293 HydrophobicContact CG-CG1 4.35Å
292	T	94.7	Very high	89.6	Confident	60 Å²	60	66.9 Å²	66.9	37%	0.368	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.1	174	-56.8	0	0	0	0	108.9	L265 Y267 T273	L265-T292 HydrophobicContact CD2-CG2 4.09Å; Y267-T292 WeakPolarHBondContact CB-OG1 3.1Å; T273-T292 PolarHBondContact OG1-OG1 2.67Å
293	V	95.6	Very high	90.8	Very high	47 Å²	47	70.9 Å²	70.9	29%	0.285	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.3	178.2	-59.1	0	0	0	0	110.1	V185 F266 K291 V295	V185-V293 HydrophobicContact CG1-CG1 4.3Å; V185-V293 HydrophobicContact CG1-CG2 3.72Å; F266-V293 HydrophobicContact CB-CG2 4.03Å; F266-V293 HydrophobicContact CD1-CG2 3.91Å; F266-V293 HydrophobicContact CG-CG2 4.44Å; F266-V293 PolarHBondContact N-O 2.94Å; F266-V293 WeakPolarHBondContact O-CG2 3.31Å; F266-V293 PolarHBondContact O-N 3.44Å; K291-V293 HydrophobicContact CD-CG1 4.27Å; K291-V293 HydrophobicContact CG-CG1 4.35Å; V293-V295 HydrophobicContact CG2-CG2 4.01Å
294	E	96.1	Very high	91.8	Very high	79 Å²	79	70.6 Å²	70.6	37%	0.369	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	108.8	172.4	-70.6	168.4	-162.6	0	0	107.9	I256 K258 Y263 L265	I256-E294 HydrophobicContact CD1-CG 4.47Å; K258-E294 WeakPolarHBondContact CD-OE2 2.96Å; K258-E294 WeakPolarHBondContact CE-OE2 3.35Å; K258-E294 IonicContact NZ-OE1 2.6Å; K258-E294 PolarHBondContact NZ-OE1 2.95Å; K258-E294 IonicContact NZ-OE2 2.75Å; K258-E294 PolarHBondContact NZ-OE2 3.01Å; Y263-E294 HydrophobicContact CD1-CB 4.08Å; Y263-E294 HydrophobicContact CG-CB 4.33Å; L265-E294 HydrophobicContact CD2-CG 4.01Å
295	V	96.5	Very high	92.9	Very high	18 Å²	18	62.3 Å²	62.3	11%	0.109	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128	178.4	-177	0	0	0	0	107.6	Y263 K264 F266 V293 Y297	Y263-V295 CarbonylContact C-O 3.52Å; Y263-V295 WeakPolarHBondContact CA-O 3.27Å; K264-V295 PolarHBondContact N-O 3.36Å; K264-V295 PolarHBondContact O-N 3.49Å; F266-V295 HydrophobicContact CB-CG2 3.64Å; F266-V295 HydrophobicContact CD1-CG2 4.17Å; F266-V295 HydrophobicContact CG-CG2 4.28Å; V293-V295 HydrophobicContact CG2-CG2 4.01Å; V295-Y297 PolarHBondContact O-N 2.92Å
296	P	97	Very high	94	Very high	81 Å²	81	61.5 Å²	61.5	53%	0.526	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	137.1	172.3	-26.1	34.2	0	0	0	110.6	Y263 K298	Y263-P296 HydrophobicContact CD1-CB 4.47Å; Y263-P296 HydrophobicContact CD1-CG 4.31Å; Y263-P296 HydrophobicContact CE1-CB 4.43Å; Y263-P296 HydrophobicContact CE1-CG 4.09Å; P296-K298 WeakPolarHBondContact O-CG 3.23Å; P296-K298 PolarHBondContact O-N 3.24Å
297	Y	97.8	Very high	95.1	Very high	86 Å²	86	59.3 Å²	59.3	34%	0.337	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-63	126.1	178.6	179.4	-105.3	0	0	0	110.1	S249 K262 K264 V295	S249-Y297 PolarHBondContact OG-OH 2.93Å; K262-Y297 HydrophobicContact CB-CG 4.22Å; K262-Y297 WeakPolarHBondContact O-CB 3.46Å; K262-Y297 PolarHBondContact O-N 3.07Å; K264-Y297 HydrophobicContact CD-CD2 3.96Å; K264-Y297 HydrophobicContact CD-CE2 4.27Å; K264-Y297 HydrophobicContact CG-CD2 4.1Å; V295-Y297 PolarHBondContact O-N 2.92Å
298	K	97.6	Very high	96.1	Very high	80 Å²	80	56.3 Å²	56.3	35%	0.348	29%	0.285	S	S	.	.			trans	-100.8	-5.4	-172	-63.4	178	-177.7	164.4	0	113.9	G243 M244 A246 G247 H248 P296	G243-K298 PolarHBondContact O-NZ 3.04Å; M244-K298 PolarHBondContact O-NZ 2.92Å; M244-K298 VanDerWaalsContact O-NZ 3.09Å; A246-K298 WeakPolarHBondContact O-CE 3.38Å; A246-K298 PolarHBondContact O-NZ 2.87Å; G247-K298 PolarHBondContact O-N 2.83Å; H248-K298 VanDerWaalsContact CD2-CB 3.44Å; H248-K298 WeakPolarHBondContact CD2-CB 3.28Å; H248-K298 VanDerWaalsContact CE1-CD 3.46Å; H248-K298 WeakPolarHBondContact CE1-CD 3.38Å; H248-K298 WeakPolarHBondContact NE2-CB 3.13Å; H248-K298 WeakPolarHBondContact NE2-CD 3.37Å; P296-K298 WeakPolarHBondContact O-CG 3.23Å; P296-K298 PolarHBondContact O-N 3.24Å
299	G	97.8	Very high	96.6	Very high	11 Å²	11	55.7 Å²	55.7	11%	0.113	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	77.8	-158.4	-170.9	0	0	0	0	0	112.4	H248 S249	H248-G299 CarbonylContact C-O 3.58Å; H248-G299 WeakPolarHBondContact CA-O 3.33Å; H248-G299 VanDerWaalsContact CB-O 3.26Å; H248-G299 WeakPolarHBondContact CB-O 3.35Å; H248-G299 PolarHBondContact CD2-O 2.65Å; S249-G299 PolarHBondContact N-O 3.25Å; S249-G299 VanDerWaalsContact OG-C 3.27Å; S249-G299 PolarHBondContact OG-O 3.18Å
300	P	98.3	Very high	97.1	Very high	58 Å²	58	54.3 Å²	54.3	38%	0.377	28%	0.282	S	S	.	.			trans	-60.8	147.8	177	-21	34.1	0	0	0	112.8	H248 D302	H248-P300 PolarHBondContact CD2-O 3.44Å; P300-D302 VanDerWaalsContact C-N 3.29Å; P300-D302 WeakPolarHBondContact CB-OD1 3.36Å; P300-D302 PolarHBondContact O-N 3.35Å
301	V	98.7	Very high	97.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-73.8	-18.4	-176.1	72.8	0	0	0	0	114	M63 A66 L67 L245 H248 E250 E303 T304 I305	M63-V301 HydrophobicContact CE-CB 4.44Å; M63-V301 HydrophobicContact CE-CG2 4.12Å; M63-V301 HydrophobicContact SD-CB 4.26Å; M63-V301 HydrophobicContact SD-CG1 4.03Å; M63-V301 HydrophobicContact SD-CG2 3.82Å; A66-V301 HydrophobicContact CB-CG1 3.57Å; L67-V301 HydrophobicContact CD1-CG1 4.21Å; L245-V301 HydrophobicContact CD2-CG2 3.95Å; H248-V301 HydrophobicContact CB-CB 3.93Å; H248-V301 HydrophobicContact CB-CG2 4.41Å; H248-V301 VanDerWaalsContact CD2-CA 3.48Å; H248-V301 WeakPolarHBondContact CD2-CA 3.45Å; E250-V301 HydrophobicContact CB-CG1 4.49Å; E250-V301 HydrophobicContact CG-CG1 4.12Å; E250-V301 PolarHBondContact OE1-N 3.49Å; E250-V301 WeakPolarHBondContact OE2-CB 3.19Å; E250-V301 PolarHBondContact OE2-N 3.06Å; V301-E303 VanDerWaalsContact C-N 3.31Å; V301-E303 PolarHBondContact O-N 3.27Å; V301-T304 WeakPolarHBondContact O-CB 2.97Å; V301-T304 PolarHBondContact O-N 2.71Å; V301-T304 VanDerWaalsContact O-N 3.09Å; V301-I305 HydrophobicContact CG2-CD1 4.36Å; V301-I305 HydrophobicContact CG2-CG1 4.21Å; V301-I305 WeakPolarHBondContact O-CG1 3.27Å; V301-I305 PolarHBondContact O-N 3.07Å
302	D	98.4	Very high	97.9	Very high	56 Å²	56	50.4 Å²	50.4	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-57.5	-39.8	-175.6	72.6	-31.3	0	0	0	113.1	F70 P300 I305 R306	F70-D302 HydrophobicContact CE2-CB 4.07Å; F70-D302 HydrophobicContact CZ-CB 4.02Å; P300-D302 VanDerWaalsContact C-N 3.29Å; P300-D302 WeakPolarHBondContact CB-OD1 3.36Å; P300-D302 PolarHBondContact O-N 3.35Å; D302-I305 PolarHBondContact O-N 3.16Å; D302-R306 WeakPolarHBondContact O-CB 3.19Å; D302-R306 VanDerWaalsContact O-CG 3.28Å; D302-R306 WeakPolarHBondContact O-CG 3.49Å; D302-R306 PolarHBondContact O-N 3.22Å
303	E	97.8	Very high	98.1	Very high	134 Å²	134	51.1 Å²	51.1	63%	0.626	26%	0.264	S	S	*	.	H	α-helix	trans	-61.5	-45.6	175.7	-68	-171.6	177.4	0	0	111.2	V301 R306 D307	V301-E303 VanDerWaalsContact C-N 3.31Å; V301-E303 PolarHBondContact O-N 3.27Å; E303-R306 PolarHBondContact O-N 3.08Å; E303-D307 PolarHBondContact O-N 3.08Å
304	T	98.6	Very high	98.2	Very high	31 Å²	31	50.3 Å²	50.3	19%	0.19	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-42.8	176	-69.8	0	0	0	0	111.3	L245 H248 V301 D307 V308	L245-T304 HydrophobicContact CD2-CG2 4.31Å; H248-T304 PolarHBondContact CE1-OG1 3.48Å; H248-T304 WeakPolarHBondContact NE2-CB 3.21Å; H248-T304 PolarHBondContact NE2-OG1 3.2Å; V301-T304 WeakPolarHBondContact O-CB 2.97Å; V301-T304 PolarHBondContact O-N 2.71Å; V301-T304 VanDerWaalsContact O-N 3.09Å; T304-D307 PolarHBondContact O-N 3.4Å; T304-V308 HydrophobicContact CG2-CG2 4.49Å; T304-V308 WeakPolarHBondContact O-CG2 3.43Å; T304-V308 PolarHBondContact O-N 3.47Å
305	I	98.7	Very high	98.4	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-44.6	176.9	-62.2	-50.9	0	0	0	110.6	L67 F70 L72 L245 V301 D302 D307 V308 L309	L67-I305 HydrophobicContact CD1-CD1 4.09Å; L67-I305 HydrophobicContact CD1-CG1 4.13Å; L67-I305 HydrophobicContact CG-CD1 4.44Å; F70-I305 HydrophobicContact CB-CG2 4.05Å; F70-I305 HydrophobicContact CD1-CG2 3.86Å; F70-I305 HydrophobicContact CD2-CB 4.41Å; F70-I305 HydrophobicContact CD2-CG2 3.9Å; F70-I305 HydrophobicContact CE1-CG2 4.26Å; F70-I305 HydrophobicContact CE2-CB 4.41Å; F70-I305 HydrophobicContact CE2-CG2 4.3Å; F70-I305 HydrophobicContact CG-CG2 3.66Å; F70-I305 HydrophobicContact CZ-CG2 4.46Å; L72-I305 HydrophobicContact CD1-CG2 4.32Å; L72-I305 HydrophobicContact CD2-CD1 3.92Å; L72-I305 HydrophobicContact CD2-CG2 4.06Å; L245-I305 HydrophobicContact CD2-CD1 3.63Å; V301-I305 HydrophobicContact CG2-CD1 4.36Å; V301-I305 HydrophobicContact CG2-CG1 4.21Å; V301-I305 WeakPolarHBondContact O-CG1 3.27Å; V301-I305 PolarHBondContact O-N 3.07Å; D302-I305 PolarHBondContact O-N 3.16Å; I305-D307 VanDerWaalsContact C-N 3.3Å; I305-D307 PolarHBondContact O-N 3.41Å; I305-V308 PolarHBondContact O-N 2.97Å; I305-L309 HydrophobicContact CG2-CD1 3.77Å; I305-L309 HydrophobicContact CG2-CG 4.02Å; I305-L309 WeakPolarHBondContact O-CB 3.28Å; I305-L309 VanDerWaalsContact O-CG 3.24Å; I305-L309 WeakPolarHBondContact O-CG 3.47Å; I305-L309 PolarHBondContact O-N 3.36Å
306	R	98.7	Very high	98.5	Very high	163 Å²	163	46.8 Å²	46.8	62%	0.615	24%	0.244	S	C	*	.	H	α-helix	trans	-59.5	-40.5	176.6	-72.7	171.5	-174.5	-109.8	0.5	112	F70 D302 E303 G310	F70-R306 HydrophobicContact CE1-CG 3.88Å; F70-R306 HydrophobicContact CZ-CG 4.18Å; D302-R306 WeakPolarHBondContact O-CB 3.19Å; D302-R306 VanDerWaalsContact O-CG 3.28Å; D302-R306 WeakPolarHBondContact O-CG 3.49Å; D302-R306 PolarHBondContact O-N 3.22Å; E303-R306 PolarHBondContact O-N 3.08Å; R306-G310 WeakPolarHBondContact O-CA 3.37Å; R306-G310 PolarHBondContact O-N 2.89Å
307	D	98.7	Very high	98.5	Very high	98 Å²	98	44.2 Å²	44.2	52%	0.524	23%	0.227	S	C	.	.	H	α-helix	trans	-63.4	-49.8	175.1	-178.9	59.6	0	0	0	111.9	P225 E303 T304 I305 L309 G310 G311	P225-D307 WeakPolarHBondContact CG-OD2 3.43Å; E303-D307 PolarHBondContact O-N 3.08Å; T304-D307 PolarHBondContact O-N 3.4Å; I305-D307 VanDerWaalsContact C-N 3.3Å; I305-D307 PolarHBondContact O-N 3.41Å; D307-L309 PolarHBondContact O-N 2.84Å; D307-G310 PolarHBondContact O-N 2.75Å; D307-G311 PolarHBondContact O-N 2.94Å
308	V	98.8	Very high	98.6	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-57.6	-51.3	177.4	175.8	0	0	0	0	111.2	I50 P225 V228 M244 T304 I305 G310 G311 V312	I50-V308 HydrophobicContact CD1-CG1 3.88Å; P225-V308 HydrophobicContact CG-CG2 4.3Å; V228-V308 HydrophobicContact CB-CG1 4.49Å; V228-V308 HydrophobicContact CG1-CG1 4.29Å; V228-V308 HydrophobicContact CG2-CG1 4.22Å; M244-V308 HydrophobicContact CE-CG2 3.5Å; M244-V308 VanDerWaalsContact CE-CG2 3.5Å; T304-V308 HydrophobicContact CG2-CG2 4.49Å; T304-V308 WeakPolarHBondContact O-CG2 3.43Å; T304-V308 PolarHBondContact O-N 3.47Å; I305-V308 PolarHBondContact O-N 2.97Å; V308-G310 VanDerWaalsContact C-N 3.33Å; V308-G310 PolarHBondContact O-N 3.22Å; V308-G311 PolarHBondContact O-N 2.86Å; V308-V312 WeakPolarHBondContact O-CG2 3.31Å; V308-V312 PolarHBondContact O-N 2.85Å
309	L	98.9	Very high	98.6	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-36.4	-179.5	-60.4	-176	0	0	0	111.7	L32 I48 I50 F70 L72 I305 D307 V312 R313	L32-L309 HydrophobicContact CD1-CB 3.96Å; L32-L309 HydrophobicContact CD1-CD2 3.79Å; L32-L309 HydrophobicContact CD1-CG 4.37Å; I48-L309 HydrophobicContact CD1-CD1 3.98Å; I48-L309 HydrophobicContact CD1-CD2 4.18Å; I48-L309 HydrophobicContact CG2-CD2 3.79Å; I50-L309 HydrophobicContact CD1-CD2 3.77Å; F70-L309 HydrophobicContact CB-CD1 4.43Å; F70-L309 HydrophobicContact CD1-CD1 4.13Å; L72-L309 HydrophobicContact CD1-CD1 4.17Å; L72-L309 HydrophobicContact CD1-CD2 4.31Å; I305-L309 HydrophobicContact CG2-CD1 3.77Å; I305-L309 HydrophobicContact CG2-CG 4.02Å; I305-L309 WeakPolarHBondContact O-CB 3.28Å; I305-L309 VanDerWaalsContact O-CG 3.24Å; I305-L309 WeakPolarHBondContact O-CG 3.47Å; I305-L309 PolarHBondContact O-N 3.36Å; D307-L309 PolarHBondContact O-N 2.84Å; L309-V312 PolarHBondContact O-N 2.76Å; L309-R313 VanDerWaalsContact O-CG 3.32Å; L309-R313 WeakPolarHBondContact O-CG 3.41Å; L309-R313 PolarHBondContact O-N 3.12Å
310	G	98.8	Very high	98.7	Very high	28 Å²	28	43.4 Å²	43.4	29%	0.289	22%	0.221	S	C	.	.	H	α-helix	trans	-61.1	-44.4	173.6	0	0	0	0	0	112.2	R306 D307 V308 R313 S314	R306-G310 WeakPolarHBondContact O-CA 3.37Å; R306-G310 PolarHBondContact O-N 2.89Å; D307-G310 PolarHBondContact O-N 2.75Å; V308-G310 VanDerWaalsContact C-N 3.33Å; V308-G310 PolarHBondContact O-N 3.22Å; G310-R313 PolarHBondContact O-N 3.33Å; G310-S314 WeakPolarHBondContact O-CB 3.31Å; G310-S314 PolarHBondContact O-N 3.45Å
311	G	98.8	Very high	98.7	Very high	19 Å²	19	40.6 Å²	40.6	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-48	174.5	0	0	0	0	0	112.5	D307 V308 S314 T315	D307-G311 PolarHBondContact O-N 2.94Å; V308-G311 PolarHBondContact O-N 2.86Å; G311-S314 VanDerWaalsContact O-CB 3.28Å; G311-S314 WeakPolarHBondContact O-CB 3.27Å; G311-S314 PolarHBondContact O-N 3.04Å; G311-T315 PolarHBondContact O-N 3.48Å; G311-T315 PolarHBondContact O-OG1 3.16Å
312	V	98.9	Very high	98.7	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-44.1	177.9	178.7	0	0	0	0	111.5	L32 V228 V308 L309 S314 T315 C316 L324	L32-V312 HydrophobicContact CD2-CB 4.42Å; L32-V312 HydrophobicContact CD2-CG1 3.71Å; V228-V312 HydrophobicContact CB-CG2 4.47Å; V228-V312 HydrophobicContact CG1-CG2 4.02Å; V308-V312 WeakPolarHBondContact O-CG2 3.31Å; V308-V312 PolarHBondContact O-N 2.85Å; L309-V312 PolarHBondContact O-N 2.76Å; V312-S314 VanDerWaalsContact C-N 3.29Å; V312-S314 PolarHBondContact O-N 3.27Å; V312-T315 WeakPolarHBondContact O-CB 3.47Å; V312-T315 PolarHBondContact O-N 3.36Å; V312-C316 PolarHBondContact O-N 2.75Å; V312-C316 PolarHBondContact O-SG 3.46Å; V312-C316 VanDerWaalsContact O-SG 3.41Å; V312-L324 HydrophobicContact CG1-CD1 3.96Å
313	R	98.9	Very high	98.7	Very high	75 Å²	75	45 Å²	45	28%	0.283	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-40.9	174.1	-69.9	-176.1	-169.9	98.8	-4.1	111.6	R27 V30 L32 L309 G310 C316 T317	R27-R313 HydrophobicContact CB-CB 4.15Å; R27-R313 WeakPolarHBondContact O-CD 3.11Å; V30-R313 HydrophobicContact CB-CB 4.24Å; V30-R313 HydrophobicContact CB-CG 4.04Å; V30-R313 HydrophobicContact CG1-CG 4.19Å; L32-R313 HydrophobicContact CD1-CG 3.83Å; L32-R313 HydrophobicContact CD2-CG 4Å; L32-R313 HydrophobicContact CG-CG 3.89Å; L309-R313 VanDerWaalsContact O-CG 3.32Å; L309-R313 WeakPolarHBondContact O-CG 3.41Å; L309-R313 PolarHBondContact O-N 3.12Å; G310-R313 PolarHBondContact O-N 3.33Å; R313-C316 WeakPolarHBondContact O-CB 3.35Å; R313-C316 PolarHBondContact O-N 2.98Å; R313-T317 WeakPolarHBondContact O-CG2 3.46Å; R313-T317 PolarHBondContact O-N 3.44Å
314	S	98.8	Very high	98.7	Very high	30 Å²	30	38.7 Å²	38.7	21%	0.21	20%	0.197	C	C	.	.	H	α-helix	trans	-58.3	-51.2	174.8	-164.4	0	0	0	0	111.4	G310 G311 V312 C316 T317 Y318	G310-S314 WeakPolarHBondContact O-CB 3.31Å; G310-S314 PolarHBondContact O-N 3.45Å; G311-S314 VanDerWaalsContact O-CB 3.28Å; G311-S314 WeakPolarHBondContact O-CB 3.27Å; G311-S314 PolarHBondContact O-N 3.04Å; V312-S314 VanDerWaalsContact C-N 3.29Å; V312-S314 PolarHBondContact O-N 3.27Å; S314-C316 VanDerWaalsContact C-N 3.32Å; S314-C316 PolarHBondContact O-N 3.28Å; S314-T317 PolarHBondContact O-N 3.17Å; S314-T317 VanDerWaalsContact O-N 3.11Å; S314-T317 PolarHBondContact O-OG1 2.98Å; S314-Y318 VanDerWaalsContact O-CD2 3.32Å; S314-Y318 WeakPolarHBondContact O-CD2 3.31Å; S314-Y318 PolarHBondContact O-N 2.64Å; S314-Y318 VanDerWaalsContact O-N 3.11Å
315	T	98.9	Very high	98.7	Very high	22 Å²	22	44.1 Å²	44.1	14%	0.135	22%	0.218	C	C	.	.	H	α-helix	trans	-54.3	-48.6	175.5	-55.6	0	0	0	0	111.4	L17 S229 G311 V312 T317 Y318 V319 L327	L17-T315 HydrophobicContact CD1-CG2 4.34Å; L17-T315 HydrophobicContact CD2-CG2 3.79Å; S229-T315 WeakPolarHBondContact CB-OG1 3.45Å; S229-T315 PolarHBondContact OG-OG1 2.96Å; G311-T315 PolarHBondContact O-N 3.48Å; G311-T315 PolarHBondContact O-OG1 3.16Å; V312-T315 WeakPolarHBondContact O-CB 3.47Å; V312-T315 PolarHBondContact O-N 3.36Å; T315-T317 VanDerWaalsContact C-N 3.29Å; T315-T317 PolarHBondContact O-N 2.96Å; T315-Y318 WeakPolarHBondContact O-CB 3.14Å; T315-Y318 PolarHBondContact O-N 2.97Å; T315-V319 PolarHBondContact O-N 3.03Å; T315-L327 HydrophobicContact CG2-CD1 4.05Å
316	C	98.8	Very high	98.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.1	-43.6	178.3	-76.4	0	0	0	0	112	V30 V312 R313 S314 Y318 V319 G320 A321	V30-C316 HydrophobicContact CB-CB 4.39Å; V30-C316 HydrophobicContact CG1-CB 3.56Å; V30-C316 HydrophobicContact CG2-CB 3.9Å; V312-C316 PolarHBondContact O-N 2.75Å; V312-C316 PolarHBondContact O-SG 3.46Å; V312-C316 VanDerWaalsContact O-SG 3.41Å; R313-C316 WeakPolarHBondContact O-CB 3.35Å; R313-C316 PolarHBondContact O-N 2.98Å; S314-C316 VanDerWaalsContact C-N 3.32Å; S314-C316 PolarHBondContact O-N 3.28Å; C316-Y318 PolarHBondContact O-N 3.25Å; C316-V319 PolarHBondContact O-N 2.98Å; C316-G320 PolarHBondContact O-N 3.4Å; C316-A321 HydrophobicContact CB-CB 4.16Å; C316-A321 WeakPolarHBondContact CB-O 3.42Å; C316-A321 PolarHBondContact O-N 3.46Å
317	T	98.8	Very high	98.7	Very high	27 Å²	27	38.6 Å²	38.6	17%	0.166	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-40	175.5	62.2	0	0	0	0	113.1	S22 L24 R27 V30 R313 S314 T315 V319 G320	S22-T317 WeakPolarHBondContact CB-O 3.3Å; S22-T317 PolarHBondContact OG-O 3.46Å; S22-T317 VanDerWaalsContact OG-O 3.06Å; L24-T317 HydrophobicContact CB-CG2 4.32Å; L24-T317 HydrophobicContact CD1-CG2 4.29Å; R27-T317 HydrophobicContact CB-CG2 4.35Å; R27-T317 HydrophobicContact CG-CG2 3.82Å; V30-T317 HydrophobicContact CG2-CG2 3.82Å; R313-T317 WeakPolarHBondContact O-CG2 3.46Å; R313-T317 PolarHBondContact O-N 3.44Å; S314-T317 PolarHBondContact O-N 3.17Å; S314-T317 VanDerWaalsContact O-N 3.11Å; S314-T317 PolarHBondContact O-OG1 2.98Å; T315-T317 VanDerWaalsContact C-N 3.29Å; T315-T317 PolarHBondContact O-N 2.96Å; T317-V319 PolarHBondContact O-N 2.9Å; T317-G320 PolarHBondContact O-N 2.93Å
318	Y	98.8	Very high	98.7	Very high	151 Å²	151	36 Å²	36	59%	0.592	19%	0.189	S	C	*	.	H	α-helix	trans	-66.4	-33.5	179.4	-83.7	-64.6	0	0	0	113.8	P19 K20 S314 T315 C316	P19-Y318 CarbonylContact C-O 3.36Å; P19-Y318 VanDerWaalsContact CA-O 3.27Å; P19-Y318 WeakPolarHBondContact CA-O 3.42Å; P19-Y318 HydrophobicContact CB-CD1 4.37Å; K20-Y318 PolarHBondContact N-O 2.6Å; S314-Y318 VanDerWaalsContact O-CD2 3.32Å; S314-Y318 WeakPolarHBondContact O-CD2 3.31Å; S314-Y318 PolarHBondContact O-N 2.64Å; S314-Y318 VanDerWaalsContact O-N 3.11Å; T315-Y318 WeakPolarHBondContact O-CB 3.14Å; T315-Y318 PolarHBondContact O-N 2.97Å; C316-Y318 PolarHBondContact O-N 3.25Å
319	V	98.7	Very high	98.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-95	-3.8	178.2	-54.7	0	0	0	0	113.1	L17 T315 C316 T317 A321 L327 R330	L17-V319 HydrophobicContact CB-CG1 4.38Å; L17-V319 HydrophobicContact CD2-CG1 4.42Å; T315-V319 PolarHBondContact O-N 3.03Å; C316-V319 PolarHBondContact O-N 2.98Å; T317-V319 PolarHBondContact O-N 2.9Å; V319-A321 HydrophobicContact CG2-CB 3.9Å; V319-L327 HydrophobicContact CG2-CD1 3.62Å; V319-R330 HydrophobicContact CB-CB 4.36Å; V319-R330 HydrophobicContact CG2-CB 4.22Å
320	G	98.4	Very high	98.7	Very high	8 Å²	8	50.9 Å²	50.9	8%	0.082	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	31.2	-178.9	0	0	0	0	0	114.9	S22 C316 T317 R330	S22-G320 WeakPolarHBondContact OG-CA 3.33Å; C316-G320 PolarHBondContact O-N 3.4Å; T317-G320 PolarHBondContact O-N 2.93Å; G320-R330 VanDerWaalsContact O-CD 3.25Å; G320-R330 WeakPolarHBondContact O-CD 3.49Å; G320-R330 PolarHBondContact O-NE 3.47Å; G320-R330 PolarHBondContact O-NH1 2.98Å
321	A	98.7	Very high	98.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.237	C	C	.	.			trans	-92.5	109.8	175.9	0	0	0	0	0	110.8	L24 C316 V319 K323 E326	L24-A321 WeakPolarHBondContact CD1-O 3.35Å; C316-A321 HydrophobicContact CB-CB 4.16Å; C316-A321 WeakPolarHBondContact CB-O 3.42Å; C316-A321 PolarHBondContact O-N 3.46Å; V319-A321 HydrophobicContact CG2-CB 3.9Å; A321-K323 VanDerWaalsContact C-N 3.29Å; A321-E326 HydrophobicContact CB-CB 3.95Å
322	A	98.6	Very high	98.7	Very high	37 Å²	37	52.4 Å²	52.4	31%	0.306	25%	0.245	S	C	.	.	S	Bend	trans	-74.6	-24	177	0	0	0	0	0	112.5	L24 V30 D31	L24-A322 HydrophobicContact CD2-CB 4.04Å; V30-A322 WeakPolarHBondContact CA-O 3.29Å; D31-A322 PolarHBondContact N-O 3.3Å
323	K	98.8	Very high	98.7	Very high	110 Å²	110	55 Å²	55	48%	0.478	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-129	146.5	177.1	-53.5	-173	176	-178.5	0	109.7	D31 A321 K325 E326	D31-K323 HydrophobicContact CB-CG 4.19Å; D31-K323 CarbonylContact O-C 3.47Å; D31-K323 VanDerWaalsContact O-CA 3.29Å; D31-K323 WeakPolarHBondContact O-CA 3.36Å; A321-K323 VanDerWaalsContact C-N 3.29Å; K323-K325 PolarHBondContact O-N 2.96Å; K323-K325 VanDerWaalsContact O-N 3.1Å; K323-E326 WeakPolarHBondContact O-CB 3.46Å; K323-E326 PolarHBondContact O-N 3.45Å
324	L	98.7	Very high	98.6	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-55.7	-31.3	176.6	-177.3	60.6	0	0	0	112.4	D31 L32 R34 P49 F232 V312 E326 L327	D31-L324 PolarHBondContact O-N 3.33Å; L32-L324 HydrophobicContact CD2-CB 4.37Å; L32-L324 WeakPolarHBondContact O-CD2 3.49Å; R34-L324 HydrophobicContact CG-CD2 4.12Å; R34-L324 HydrophobicContact CG-CG 4.42Å; P49-L324 HydrophobicContact CG-CD2 3.85Å; F232-L324 HydrophobicContact CB-CD1 4.24Å; F232-L324 HydrophobicContact CD1-CD2 4.5Å; F232-L324 HydrophobicContact CD2-CD1 4.08Å; F232-L324 HydrophobicContact CE1-CD2 4.31Å; F232-L324 HydrophobicContact CE2-CD2 4.32Å; F232-L324 HydrophobicContact CG-CD1 4.07Å; F232-L324 HydrophobicContact CZ-CD2 4.23Å; V312-L324 HydrophobicContact CG1-CD1 3.96Å; L324-E326 PolarHBondContact O-N 3.03Å; L324-E326 VanDerWaalsContact O-N 3.07Å; L324-L327 HydrophobicContact CD1-CB 4.13Å; L324-L327 HydrophobicContact CD1-CD2 3.65Å; L324-L327 VanDerWaalsContact O-CB 3.31Å; L324-L327 WeakPolarHBondContact O-CB 3.33Å; L324-L327 PolarHBondContact O-N 3.35Å
325	K	98.2	Very high	98.6	Very high	144 Å²	144	61.9 Å²	61.9	63%	0.626	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-54.3	-25.8	173.4	-176.6	175.4	179.3	174.5	0	113.6	K323	K323-K325 PolarHBondContact O-N 2.96Å; K323-K325 VanDerWaalsContact O-N 3.1Å
326	E	98.8	Very high	98.6	Very high	48 Å²	48	62.5 Å²	62.5	22%	0.224	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-90.7	-12.8	-178.8	-59.3	174.7	-145.8	0	0	113.3	A321 K323 L324 S328 R329 R330	A321-E326 HydrophobicContact CB-CB 3.95Å; K323-E326 WeakPolarHBondContact O-CB 3.46Å; K323-E326 PolarHBondContact O-N 3.45Å; L324-E326 PolarHBondContact O-N 3.03Å; L324-E326 VanDerWaalsContact O-N 3.07Å; E326-S328 PolarHBondContact O-N 3.15Å; E326-R329 PolarHBondContact O-N 3.14Å; E326-R330 WeakPolarHBondContact O-CB 3.26Å; E326-R330 WeakPolarHBondContact O-CG 3.43Å; E326-R330 PolarHBondContact O-N 3.31Å; E326-R330 IonicContact OE2-CZ 2.6Å; E326-R330 VanDerWaalsContact OE2-CZ 3.29Å; E326-R330 IonicContact OE2-NE 2.83Å; E326-R330 PolarHBondContact OE2-NE 3.45Å; E326-R330 IonicContact OE2-NH2 3.76Å; E326-R330 PolarHBondContact OE2-NH2 3.2Å
327	L	98.8	Very high	98.4	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-50.4	-170.4	178.6	53.9	0	0	0	111.9	L17 F232 T315 V319 L324 R330 T331	L17-L327 HydrophobicContact CD2-CD1 4.37Å; F232-L327 HydrophobicContact CB-CD2 3.68Å; F232-L327 HydrophobicContact CB-CG 4.47Å; T315-L327 HydrophobicContact CG2-CD1 4.05Å; V319-L327 HydrophobicContact CG2-CD1 3.62Å; L324-L327 HydrophobicContact CD1-CB 4.13Å; L324-L327 HydrophobicContact CD1-CD2 3.65Å; L324-L327 VanDerWaalsContact O-CB 3.31Å; L324-L327 WeakPolarHBondContact O-CB 3.33Å; L324-L327 PolarHBondContact O-N 3.35Å; L327-R330 CarbonylContact O-C 3.55Å; L327-R330 PolarHBondContact O-N 2.96Å; L327-T331 WeakPolarHBondContact O-CB 3.46Å; L327-T331 PolarHBondContact O-N 3.25Å; L327-T331 PolarHBondContact O-OG1 3.22Å
328	S	98.3	Very high	98.2	Very high	45 Å²	45	75.4 Å²	75.4	32%	0.315	35%	0.354	S	S	.	.	H	α-helix	trans	-60.5	-48.5	178.1	57.8	0	0	0	0	112	F232 G233 E326 R330 T331	F232-S328 WeakPolarHBondContact O-CB 3.49Å; G233-S328 WeakPolarHBondContact O-CA 3.23Å; E326-S328 PolarHBondContact O-N 3.15Å; S328-R330 PolarHBondContact O-N 2.93Å; S328-R330 VanDerWaalsContact O-N 3.13Å; S328-T331 WeakPolarHBondContact O-CB 3.47Å; S328-T331 PolarHBondContact O-N 3.37Å
329	R	98.1	Very high	97.9	Very high	221 Å²	221	70.4 Å²	70.4	83%	0.834	34%	0.336	S	S	*	.	H	α-helix	trans	-58.7	-29.7	178	-64	-175.2	69.4	175.7	3.3	113.4	E326	E326-R329 PolarHBondContact O-N 3.14Å
330	R	98.6	Very high	97.5	Very high	97 Å²	97	75.9 Å²	75.9	37%	0.366	37%	0.365	S	S	.	.	H	α-helix	trans	-96.4	-5.3	178.8	-66.4	176	-176.6	-88.5	6.3	112.8	K20 V319 G320 E326 L327 S328	K20-R330 WeakPolarHBondContact CD-O 3.39Å; K20-R330 WeakPolarHBondContact CE-O 3.43Å; K20-R330 PolarHBondContact NZ-O 2.75Å; V319-R330 HydrophobicContact CB-CB 4.36Å; V319-R330 HydrophobicContact CG2-CB 4.22Å; G320-R330 VanDerWaalsContact O-CD 3.25Å; G320-R330 WeakPolarHBondContact O-CD 3.49Å; G320-R330 PolarHBondContact O-NE 3.47Å; G320-R330 PolarHBondContact O-NH1 2.98Å; E326-R330 WeakPolarHBondContact O-CB 3.26Å; E326-R330 WeakPolarHBondContact O-CG 3.43Å; E326-R330 PolarHBondContact O-N 3.31Å; E326-R330 IonicContact OE2-CZ 2.6Å; E326-R330 VanDerWaalsContact OE2-CZ 3.29Å; E326-R330 IonicContact OE2-NE 2.83Å; E326-R330 PolarHBondContact OE2-NE 3.45Å; E326-R330 IonicContact OE2-NH2 3.76Å; E326-R330 PolarHBondContact OE2-NH2 3.2Å; L327-R330 CarbonylContact O-C 3.55Å; L327-R330 PolarHBondContact O-N 2.96Å; S328-R330 PolarHBondContact O-N 2.93Å; S328-R330 VanDerWaalsContact O-N 3.13Å
331	T	98.8	Very high	97.2	Very high	19 Å²	19	81.9 Å²	81.9	12%	0.117	40%	0.395	C	S	.	.			trans	-73.1	141.7	-179.9	-70.2	0	0	0	0	110.7	L17 G233 L327 S328 F333	L17-T331 HydrophobicContact CD2-CG2 3.99Å; L17-T331 HydrophobicContact CG-CG2 4.44Å; G233-T331 VanDerWaalsContact CA-OG1 3.25Å; G233-T331 WeakPolarHBondContact CA-OG1 3.23Å; G233-T331 WeakPolarHBondContact O-CB 3.32Å; L327-T331 WeakPolarHBondContact O-CB 3.46Å; L327-T331 PolarHBondContact O-N 3.25Å; L327-T331 PolarHBondContact O-OG1 3.22Å; S328-T331 WeakPolarHBondContact O-CB 3.47Å; S328-T331 PolarHBondContact O-N 3.37Å; T331-F333 HydrophobicContact CG2-CD1 4.13Å; T331-F333 HydrophobicContact CG2-CD2 4Å; T331-F333 HydrophobicContact CG2-CE1 3.83Å; T331-F333 HydrophobicContact CG2-CE2 3.69Å; T331-F333 HydrophobicContact CG2-CG 4.21Å; T331-F333 HydrophobicContact CG2-CZ 3.6Å
332	T	98.8	Very high	96.7	Very high	59 Å²	59	85.8 Å²	85.8	36%	0.362	42%	0.419	S	S	.	.			trans	-143.1	114.3	165.9	-60.3	0	0	0	0	105.8	R18 K20	R18-T332 WeakPolarHBondContact CB-O 3.49Å; R18-T332 PolarHBondContact N-O 2.82Å; K20-T332 WeakPolarHBondContact CE-OG1 3.41Å; K20-T332 PolarHBondContact NZ-OG1 2.99Å
333	F	98.8	Very high	96.3	Very high	56 Å²	56	88.9 Å²	88.9	25%	0.246	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.6	-179.7	-69.6	-62.5	0	0	0	111.3	V15 L16 L17 L199 K230 A234 T331	V15-F333 HydrophobicContact CB-CB 4.09Å; V15-F333 HydrophobicContact CB-CD1 3.88Å; V15-F333 HydrophobicContact CB-CG 4.23Å; V15-F333 HydrophobicContact CG1-CB 4.11Å; V15-F333 HydrophobicContact CG1-CG 4.44Å; V15-F333 HydrophobicContact CG2-CD1 3.48Å; V15-F333 VanDerWaalsContact CG2-CD1 3.48Å; V15-F333 HydrophobicContact CG2-CE1 3.86Å; V15-F333 HydrophobicContact CG2-CG 4.14Å; L16-F333 CarbonylContact O-C 3.51Å; L16-F333 WeakPolarHBondContact O-CA 3.45Å; L17-F333 HydrophobicContact CG-CD1 4.41Å; L17-F333 HydrophobicContact CG-CE1 4.08Å; L199-F333 HydrophobicContact CD1-CE1 4.44Å; L199-F333 HydrophobicContact CD1-CE2 4.15Å; L199-F333 HydrophobicContact CD1-CZ 3.88Å; K230-F333 HydrophobicContact CB-CE1 4.18Å; K230-F333 HydrophobicContact CG-CE1 4.15Å; K230-F333 WeakPolarHBondContact O-CZ 3.25Å; A234-F333 HydrophobicContact CB-CE2 4.08Å; A234-F333 HydrophobicContact CB-CZ 4.09Å; T331-F333 HydrophobicContact CG2-CD1 4.13Å; T331-F333 HydrophobicContact CG2-CD2 4Å; T331-F333 HydrophobicContact CG2-CE1 3.83Å; T331-F333 HydrophobicContact CG2-CE2 3.69Å; T331-F333 HydrophobicContact CG2-CG 4.21Å; T331-F333 HydrophobicContact CG2-CZ 3.6Å
334	I	98.6	Very high	95.6	Very high	78 Å²	78	92.5 Å²	92.5	40%	0.4	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.3	168.6	-60.3	167.7	0	0	0	106	V15 L16 R18 V336	V15-I334 CarbonylContact C-O 3.44Å; V15-I334 WeakPolarHBondContact CA-O 3.4Å; L16-I334 PolarHBondContact N-O 2.91Å; L16-I334 PolarHBondContact O-N 3.36Å; R18-I334 HydrophobicContact CB-CD1 3.7Å; R18-I334 HydrophobicContact CB-CG1 4Å; R18-I334 HydrophobicContact CG-CD1 3.97Å; I334-V336 HydrophobicContact CG2-CG1 4.46Å
335	R	98.3	Very high	94	Very high	173 Å²	173	95 Å²	95	65%	0.653	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	138.5	172.9	-68.9	-176.7	-63.9	177.3	0.1	109.9	L10 D14 V15	L10-R335 HydrophobicContact CD1-CG 4.23Å; D14-R335 CarbonylContact O-C 3.58Å; D14-R335 WeakPolarHBondContact O-CA 3.48Å; V15-R335 HydrophobicContact CG1-CG 4.45Å
336	V	97.9	Very high	91.6	Very high	35 Å²	35	95.2 Å²	95.2	21%	0.212	48%	0.484	C	S	.	.			trans	-132.2	154.4	-177.7	-62.6	0	0	0	0	111.3	D14 L16 I334	D14-V336 PolarHBondContact O-N 3.29Å; L16-V336 HydrophobicContact CB-CG1 4.33Å; L16-V336 HydrophobicContact CD1-CG1 3.81Å; L16-V336 HydrophobicContact CG-CG1 3.8Å; L16-V336 HydrophobicContact CG-CG2 4.37Å; I334-V336 HydrophobicContact CG2-CG1 4.46Å
337	T	96.3	Very high	88.8	Confident	144 Å²	144	101 Å²	101	88%	0.883	53%	0.53	S	S	*	.	S	Bend	trans	-91.1	-19.6	166.1	53.2	0	0	0	0	111.9
338	Q	93.5	Very high	88.3	Confident	153 Å²	153	106.1 Å²	106.1	72%	0.715	56%	0.557	S	S	*	*			trans	-139.1	120.7	178.8	-63.2	-179.2	31.6	0	0	110
339	Q	92.9	Very high	87.8	Confident	47 Å²	47	109.3 Å²	109.3	22%	0.22	57%	0.569	C	S	.	*	S	Bend	trans	-81	-43.3	176.6	-179.1	-174.8	-7.7	0	0	112.3	K13 L16 D227 K230	K13-Q339 VanDerWaalsContact CB-OE1 3.25Å; L16-Q339 HydrophobicContact CD2-CG 4.19Å; D227-Q339 PolarHBondContact OD1-NE2 3.44Å; K230-Q339 VanDerWaalsContact NZ-CD 3.29Å
340	L	91	Very high	87.2	Confident	115 Å²	115	103.1 Å²	103.1	60%	0.602	56%	0.555	S	S	*	*			trans	-126.1	142.9	-170.9	-60.3	178	0	0	0	110.1	T342	L340-T342 HydrophobicContact CB-CG2 4.37Å
341	N	90.1	Very high	86.5	Confident	134 Å²	134	103.4 Å²	103.4	72%	0.717	57%	0.566	S	S	*	*			trans	-83.8	116.2	159.9	-178.6	-24.3	0	0	0	108	V343	N341-V343 WeakPolarHBondContact OD1-CB 3.37Å; N341-V343 WeakPolarHBondContact OD1-CG2 3.49Å; N341-V343 PolarHBondContact OD1-N 3.3Å
342	T	89.8	Confident	85.8	Confident	82 Å²	82	108.7 Å²	108.7	50%	0.503	59%	0.594	S	S	.	*			trans	-97.5	8.7	-173.1	55.7	0	0	0	0	114.1	L340 F344 G345	L340-T342 HydrophobicContact CB-CG2 4.37Å; T342-F344 PolarHBondContact O-N 2.86Å; T342-G345 PolarHBondContact O-N 2.81Å
343	V	89.6	Confident	84.9	Confident	103 Å²	103	112 Å²	112	62%	0.624	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	-34.5	-177.5	169	0	0	0	0	112.5	N341	N341-V343 WeakPolarHBondContact OD1-CB 3.37Å; N341-V343 WeakPolarHBondContact OD1-CG2 3.49Å; N341-V343 PolarHBondContact OD1-N 3.3Å
344	F	84.5	Confident	83.9	Confident	186 Å²	186	116 Å²	116	82%	0.816	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.2	16	173.8	-54.5	-61.4	0	0	0	113.3	T342	T342-F344 PolarHBondContact O-N 2.86Å
345	G	63.8	Low	82.8	Confident	54 Å²	54	118.9 Å²	118.9	56%	0.557	65%	0.653	S	S	*	*			trans	-101.7	5.9	-165.9	0	0	0	0	0	116.2	T342	T342-G345 PolarHBondContact O-N 2.81Å
346	N	48	Very low	81.5	Confident	149 Å²	149	114.4 Å²	114.4	80%	0.797	65%	0.653	S	S	*	*			trans	-97.2	9	177.7	-76.1	-9	0	0	0	113.4
347	S	40.7	Very low	80	Confident	171 Å²	171	121.6 Å²	121.6	100%	1.196	69%	0.694	S	S	*	*			trans	-83.9	0	178.4	57.1	0	0	0	0	112.3

Retrieved 347 of 347 residues in 345.6 ms (Link to these results)

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