WDR82_HUMAN Loading...

WD repeat-containing protein 82

Regulatory component of the SET1/COMPASS complex implicated in the tethering of this complex to transcriptional start sites of active genes^1,2,3. Facilitates histone H3 'Lys-4' methylation (H3K4me) via recruitment of the SETD1A or SETD1B to the 'Ser-5' phosphorylated C-terminal domain (CTD) of RNA polymerase II large subunit (POLR2A)^4,5. Component of the PNUTS-PP1 protein phosphatase complex, a protein phosphatase 1 (PP1) complex that promotes RNA polymerase II transcription pause-release, allowing transcription elongation^6,7. PNUTS-PP1 also plays a role in the control of chromatin structure and cell cycle progression during the transition from mitosis into interphase⁸. Together with ZC3H4, but independently of the SET1 complex, part of a transcription termination checkpoint that promotes transcription termination of long non-coding RNAs (lncRNAs)^9,10. The transcription termination checkpoint is activated by the inefficiently spliced first exon of lncRNAs and promotes transcription termination of lncRNAs and their subsequent degradation by the exosome¹¹.

AlphaFold DB , UniProt , Accession Q6UXN9, Species HUMAN (Homo sapiens, Human), Gene WDR82, Length 313 aa.

Structure Viewer

Loading PAE data...

(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	69.2	Low	92.2	Very high	161 Å²	161	62.5 Å²	62.5	79%	0.793	31%	0.314	S	S	*	.				0	135.9	0	-171.3	172.8	-151	0	0	107.6	V7 M295	M1-V7 HydrophobicContact CE-CG2 3.95Å; M1-M295 HydrophobicContact CB-CE 3.48Å; M1-M295 VanDerWaalsContact CB-CE 3.48Å; M1-M295 HydrophobicContact CB-SD 3.71Å; M1-M295 HydrophobicContact CG-CE 3.68Å; M1-M295 HydrophobicContact CG-SD 3.51Å; M1-M295 VanDerWaalsContact CG-SD 3.51Å; M1-M295 WeakPolarHBondContact O-CE 3.45Å; M1-M295 HydrophobicContact SD-CE 4.24Å; M1-M295 HydrophobicContact SD-SD 3.25Å
2	K	87.2	Confident	92.7	Very high	143 Å²	143	67.8 Å²	67.8	62%	0.622	33%	0.327	S	S	*	.			trans	-86	142.4	177.2	-176.1	-179.7	176.7	-177.3	0	108.7	T4	K2-T4 PolarHBondContact O-N 2.88Å
3	L	91.4	Very high	93	Very high	10 Å²	10	65.8 Å²	65.8	5%	0.052	32%	0.322	C	S	.	.			trans	-73.6	117.8	169.6	-67.6	169.5	0	0	0	108.5	V7 L8 F11 T248 F253 F290 M295	L3-V7 HydrophobicContact CD2-CG1 4.29Å; L3-L8 HydrophobicContact CD2-CD2 4.29Å; L3-F11 HydrophobicContact CD2-CE2 4.47Å; L3-T248 HydrophobicContact CD1-CG2 3.77Å; L3-F253 HydrophobicContact CB-CD2 4.28Å; L3-F253 HydrophobicContact CB-CE2 3.97Å; L3-F290 HydrophobicContact CD1-CE1 4.44Å; L3-F290 HydrophobicContact CD1-CE2 4.33Å; L3-F290 HydrophobicContact CD1-CZ 4.13Å; L3-F290 HydrophobicContact CD2-CE2 4.13Å; L3-F290 HydrophobicContact CD2-CZ 3.7Å; L3-M295 HydrophobicContact CD2-CE 3.74Å; L3-M295 HydrophobicContact CD2-CG 4.42Å; L3-M295 HydrophobicContact CD2-SD 4.3Å; L3-M295 HydrophobicContact CG-CE 4.07Å
4	T	94.5	Very high	93.2	Very high	51 Å²	51	65.2 Å²	65.2	31%	0.313	33%	0.333	S	S	.	.			trans	-122.2	164.7	173.7	62.7	0	0	0	0	108.6	K2 S6 V7 L8	K2-T4 PolarHBondContact O-N 2.88Å; T4-S6 PolarHBondContact O-N 3.29Å; T4-S6 PolarHBondContact OG1-OG 3.03Å; T4-V7 PolarHBondContact O-N 3.33Å; T4-V7 VanDerWaalsContact O-N 3.13Å; T4-V7 VanDerWaalsContact OG1-CG2 3.3Å; T4-V7 WeakPolarHBondContact OG1-CG2 3.32Å; T4-V7 PolarHBondContact OG1-N 3.03Å; T4-L8 PolarHBondContact O-N 3.22Å
5	D	94.9	Very high	93.5	Very high	64 Å²	64	68 Å²	68	34%	0.342	34%	0.341	S	S	.	.	H	α-helix	trans	-53.9	-41.1	175.3	-68.7	26.1	0	0	0	112.6	L8 R9 F253 V274	D5-L8 PolarHBondContact O-N 2.83Å; D5-R9 VanDerWaalsContact O-CG 3.25Å; D5-R9 WeakPolarHBondContact O-CG 3.49Å; D5-R9 PolarHBondContact O-N 2.94Å; D5-R9 VanDerWaalsContact O-N 3.11Å; D5-F253 WeakPolarHBondContact OD1-CE1 3.15Å; D5-V274 HydrophobicContact CB-CG1 3.76Å
6	S	94.7	Very high	93.7	Very high	84 Å²	84	66.8 Å²	66.8	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-64.3	-45.9	177.1	54.3	0	0	0	0	112.2	T4 L8 R9 S10	T4-S6 PolarHBondContact O-N 3.29Å; T4-S6 PolarHBondContact OG1-OG 3.03Å; S6-L8 VanDerWaalsContact C-N 3.35Å; S6-L8 PolarHBondContact O-N 3.14Å; S6-R9 PolarHBondContact O-N 3.2Å; S6-S10 PolarHBondContact O-N 2.8Å; S6-S10 VanDerWaalsContact O-N 3.13Å
7	V	95.7	Very high	93.9	Very high	15 Å²	15	63.2 Å²	63.2	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-43.1	178	171.3	0	0	0	0	110.5	M1 L3 T4 R9 S10 F11 M295 P309	M1-V7 HydrophobicContact CE-CG2 3.95Å; L3-V7 HydrophobicContact CD2-CG1 4.29Å; T4-V7 PolarHBondContact O-N 3.33Å; T4-V7 VanDerWaalsContact O-N 3.13Å; T4-V7 VanDerWaalsContact OG1-CG2 3.3Å; T4-V7 WeakPolarHBondContact OG1-CG2 3.32Å; T4-V7 PolarHBondContact OG1-N 3.03Å; V7-R9 VanDerWaalsContact C-N 3.3Å; V7-R9 PolarHBondContact O-N 3.05Å; V7-S10 PolarHBondContact O-N 3.3Å; V7-S10 PolarHBondContact O-OG 2.91Å; V7-F11 HydrophobicContact CG1-CE2 4Å; V7-F11 WeakPolarHBondContact O-CD2 3.31Å; V7-M295 HydrophobicContact CG1-SD 3.71Å; V7-P309 HydrophobicContact CG1-CB 4.27Å
8	L	96.4	Very high	94.1	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.9	-34.2	178	-74.7	165.9	0	0	0	113	L3 T4 D5 S6 S10 F11 F253 V265 V274	L3-L8 HydrophobicContact CD2-CD2 4.29Å; T4-L8 PolarHBondContact O-N 3.22Å; D5-L8 PolarHBondContact O-N 2.83Å; S6-L8 VanDerWaalsContact C-N 3.35Å; S6-L8 PolarHBondContact O-N 3.14Å; L8-S10 VanDerWaalsContact C-N 3.28Å; L8-S10 PolarHBondContact O-N 2.83Å; L8-F11 HydrophobicContact CD2-CE2 4.33Å; L8-F253 HydrophobicContact CD1-CB 4.02Å; L8-F253 HydrophobicContact CD1-CD1 3.26Å; L8-F253 HydrophobicContact CD1-CD2 3.5Å; L8-F253 VanDerWaalsContact CD1-CD2 3.5Å; L8-F253 HydrophobicContact CD1-CE1 3.42Å; L8-F253 VanDerWaalsContact CD1-CE1 3.42Å; L8-F253 HydrophobicContact CD1-CE2 3.65Å; L8-F253 HydrophobicContact CD1-CG 3.3Å; L8-F253 HydrophobicContact CD1-CZ 3.61Å; L8-V265 HydrophobicContact CD1-CG1 3.99Å; L8-V265 HydrophobicContact CD2-CG1 4.4Å; L8-V274 HydrophobicContact CB-CG1 4.17Å; L8-V274 HydrophobicContact CD1-CG1 4.35Å
9	R	96.4	Very high	94.1	Very high	143 Å²	143	70.6 Å²	70.6	54%	0.54	34%	0.343	S	S	.	.	H	α-helix	trans	-71.2	-23	173.8	-70.8	170	-177.7	-146.3	1.7	113.2	D5 S6 V7 F11 R12 V274 A275	D5-R9 VanDerWaalsContact O-CG 3.25Å; D5-R9 WeakPolarHBondContact O-CG 3.49Å; D5-R9 PolarHBondContact O-N 2.94Å; D5-R9 VanDerWaalsContact O-N 3.11Å; S6-R9 PolarHBondContact O-N 3.2Å; V7-R9 VanDerWaalsContact C-N 3.3Å; V7-R9 PolarHBondContact O-N 3.05Å; R9-F11 VanDerWaalsContact C-N 3.35Å; R9-R12 PolarHBondContact O-NH1 2.81Å; R9-V274 VanDerWaalsContact CZ-O 3.31Å; R9-V274 PolarHBondContact NE-O 2.93Å; R9-V274 PolarHBondContact NH2-O 2.85Å; R9-A275 HydrophobicContact CG-CB 3.97Å
10	S	96.1	Very high	94.2	Very high	15 Å²	15	67.6 Å²	67.6	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-81.3	-13.8	-177.9	93.7	0	0	0	0	113.1	S6 V7 L8 R12 P309 T310	S6-S10 PolarHBondContact O-N 2.8Å; S6-S10 VanDerWaalsContact O-N 3.13Å; V7-S10 PolarHBondContact O-N 3.3Å; V7-S10 PolarHBondContact O-OG 2.91Å; L8-S10 VanDerWaalsContact C-N 3.28Å; L8-S10 PolarHBondContact O-N 2.83Å; S10-R12 PolarHBondContact O-N 2.82Å; S10-R12 PolarHBondContact O-NH1 2.87Å; S10-P309 WeakPolarHBondContact OG-CA 3.38Å; S10-P309 WeakPolarHBondContact OG-CB 3.11Å; S10-T310 WeakPolarHBondContact CB-OG1 3.41Å; S10-T310 WeakPolarHBondContact O-CG2 3.46Å; S10-T310 PolarHBondContact O-N 2.69Å; S10-T310 PolarHBondContact O-OG1 3.16Å; S10-T310 VanDerWaalsContact O-OG1 3.12Å; S10-T310 PolarHBondContact OG-N 2.92Å; S10-T310 PolarHBondContact OG-O 3.35Å
11	F	97.8	Very high	94.3	Very high	1 Å²	1	69 Å²	69	0%	0.004	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	133.5	-179.7	-83.5	-96.5	0	0	0	113.7	L3 V7 L8 R9 L277 F290 M295 F297 W307 L308 P309	L3-F11 HydrophobicContact CD2-CE2 4.47Å; V7-F11 HydrophobicContact CG1-CE2 4Å; V7-F11 WeakPolarHBondContact O-CD2 3.31Å; L8-F11 HydrophobicContact CD2-CE2 4.33Å; R9-F11 VanDerWaalsContact C-N 3.35Å; F11-L277 HydrophobicContact CB-CD1 3.89Å; F11-F290 HydrophobicContact CE1-CE2 4.45Å; F11-F290 HydrophobicContact CE1-CZ 4.31Å; F11-F290 HydrophobicContact CE2-CZ 4.5Å; F11-F290 AromaticContact CZ-CE2 3.98Å; F11-F290 HydrophobicContact CZ-CE2 3.98Å; F11-F290 AromaticContact CZ-CZ 3.71Å; F11-F290 HydrophobicContact CZ-CZ 3.71Å; F11-M295 HydrophobicContact CZ-CG 3.92Å; F11-F297 HydrophobicContact CB-CE1 3.81Å; F11-F297 HydrophobicContact CB-CZ 4.45Å; F11-F297 AromaticContact CD1-CD1 3.51Å; F11-F297 HydrophobicContact CD1-CD1 3.51Å; F11-F297 AromaticContact CD1-CE1 3.31Å; F11-F297 HydrophobicContact CD1-CE1 3.31Å; F11-F297 HydrophobicContact CD1-CZ 4.43Å; F11-F297 HydrophobicContact CD2-CE1 4.37Å; F11-F297 AromaticContact CE1-CD1 3.62Å; F11-F297 HydrophobicContact CE1-CD1 3.62Å; F11-F297 AromaticContact CE1-CE1 3.93Å; F11-F297 HydrophobicContact CE1-CE1 3.93Å; F11-F297 HydrophobicContact CG-CD1 4.14Å; F11-F297 AromaticContact CG-CE1 3.58Å; F11-F297 HydrophobicContact CG-CE1 3.58Å; F11-F297 HydrophobicContact CZ-CD1 4.34Å; F11-W307 HydrophobicContact CB-CE3 4.4Å; F11-W307 HydrophobicContact CD1-CB 3.94Å; F11-L308 CarbonylContact C-O 3.58Å; F11-L308 VanDerWaalsContact CA-O 3.32Å; F11-L308 WeakPolarHBondContact CA-O 3.41Å; F11-L308 VanDerWaalsContact CD1-C 3.43Å; F11-P309 HydrophobicContact CD2-CB 4.23Å; F11-P309 HydrophobicContact CE1-CB 4.46Å; F11-P309 VanDerWaalsContact CE1-CD 3.49Å; F11-P309 HydrophobicContact CE1-CG 4.43Å; F11-P309 HydrophobicContact CE2-CB 4.01Å; F11-P309 HydrophobicContact CZ-CB 4.13Å; F11-P309 HydrophobicContact CZ-CG 4.18Å
12	R	97.5	Very high	95.6	Very high	126 Å²	126	65.1 Å²	65.1	48%	0.475	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.7	173.6	-61.5	-64.4	179	-84.6	-6.2	110.1	R9 S10 A14 W307 L308 T310	R9-R12 PolarHBondContact O-NH1 2.81Å; S10-R12 PolarHBondContact O-N 2.82Å; S10-R12 PolarHBondContact O-NH1 2.87Å; R12-A14 PolarHBondContact O-N 2.81Å; R12-W307 VanDerWaalsContact C-CE3 3.42Å; R12-W307 VanDerWaalsContact O-CA 3.28Å; R12-W307 WeakPolarHBondContact O-CA 3.48Å; R12-L308 PolarHBondContact N-O 3.28Å; R12-L308 PolarHBondContact O-N 2.88Å; R12-T310 HydrophobicContact CB-CG2 4.34Å; R12-T310 HydrophobicContact CG-CG2 3.68Å
13	V	97.3	Very high	96.1	Very high	43 Å²	43	62.1 Å²	62.1	26%	0.261	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	117	172	175.7	0	0	0	0	108.8	V16 G279 A305 W307	V13-V16 HydrophobicContact CG1-CG2 3.5Å; V13-G279 VanDerWaalsContact CG2-CA 3.4Å; V13-A305 HydrophobicContact CG1-CB 4.31Å; V13-A305 HydrophobicContact CG2-CB 4.46Å; V13-W307 HydrophobicContact CG2-CD2 3.74Å; V13-W307 VanDerWaalsContact CG2-CE2 3.46Å; V13-W307 HydrophobicContact CG2-CE3 3.92Å; V13-W307 HydrophobicContact CG2-CH2 3.69Å; V13-W307 HydrophobicContact CG2-CZ2 3.45Å; V13-W307 VanDerWaalsContact CG2-CZ2 3.45Å; V13-W307 HydrophobicContact CG2-CZ3 3.88Å
14	A	96.2	Very high	96.4	Very high	57 Å²	57	61.7 Å²	61.7	47%	0.471	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-35.8	174.9	0	0	0	0	0	111.5	R12 F306 L308	R12-A14 PolarHBondContact O-N 2.81Å; A14-F306 PolarHBondContact N-O 3.12Å; A14-L308 HydrophobicContact CB-CB 4.22Å; A14-L308 HydrophobicContact CB-CD1 3.66Å; A14-L308 HydrophobicContact CB-CG 3.78Å
15	K	96.6	Very high	96.6	Very high	107 Å²	107	60 Å²	60	47%	0.465	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	142.1	-177.8	-166.7	68.3	172.3	-177.3	0	111.2	F17 A305 F306	K15-F17 HydrophobicContact CB-CE2 4.19Å; K15-F17 HydrophobicContact CB-CZ 4.17Å; K15-F17 HydrophobicContact CG-CD1 4.43Å; K15-F17 HydrophobicContact CG-CD2 4.48Å; K15-F17 HydrophobicContact CG-CE1 3.82Å; K15-F17 HydrophobicContact CG-CE2 3.87Å; K15-F17 HydrophobicContact CG-CZ 3.51Å; K15-A305 CarbonylContact O-C 3.57Å; K15-A305 WeakPolarHBondContact O-CA 3.45Å; K15-F306 PolarHBondContact N-O 3.39Å; K15-F306 PolarHBondContact O-N 3.09Å
16	V	97.5	Very high	96.7	Very high	48 Å²	48	56.9 Å²	56.9	29%	0.291	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.2	170.2	-177.1	0	0	0	0	108.8	V13 N303 M304 A305	V13-V16 HydrophobicContact CG1-CG2 3.5Å; V16-N303 HydrophobicContact CG1-CB 3.89Å; V16-M304 CarbonylContact C-O 3.47Å; V16-M304 WeakPolarHBondContact CA-O 3.44Å; V16-A305 HydrophobicContact CG2-CB 4.41Å
17	F	97.5	Very high	96.9	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134	175.8	-52.4	-86.9	0	0	0	109.9	K15 E19 Y48 G53 N303 M304 F306	K15-F17 HydrophobicContact CB-CE2 4.19Å; K15-F17 HydrophobicContact CB-CZ 4.17Å; K15-F17 HydrophobicContact CG-CD1 4.43Å; K15-F17 HydrophobicContact CG-CD2 4.48Å; K15-F17 HydrophobicContact CG-CE1 3.82Å; K15-F17 HydrophobicContact CG-CE2 3.87Å; K15-F17 HydrophobicContact CG-CZ 3.51Å; F17-E19 HydrophobicContact CB-CG 4.37Å; F17-Y48 HydrophobicContact CB-CD1 4.3Å; F17-Y48 HydrophobicContact CB-CE1 3.64Å; F17-Y48 AromaticContact CD1-CD1 3.91Å; F17-Y48 HydrophobicContact CD1-CD1 3.91Å; F17-Y48 HydrophobicContact CD1-CE1 4.07Å; F17-Y48 HydrophobicContact CD2-CD1 4.08Å; F17-Y48 HydrophobicContact CD2-CE1 4.15Å; F17-Y48 HydrophobicContact CE1-CD1 4.22Å; F17-Y48 HydrophobicContact CE2-CD1 4.38Å; F17-Y48 AromaticContact CG-CD1 3.83Å; F17-Y48 HydrophobicContact CG-CD1 3.83Å; F17-Y48 AromaticContact CG-CE1 3.69Å; F17-Y48 HydrophobicContact CG-CE1 3.69Å; F17-Y48 HydrophobicContact CZ-CD1 4.44Å; F17-G53 VanDerWaalsContact CE1-O 3.23Å; F17-G53 WeakPolarHBondContact CE1-O 3.41Å; F17-G53 WeakPolarHBondContact CZ-O 3.22Å; F17-N303 WeakPolarHBondContact O-CA 3.5Å; F17-N303 WeakPolarHBondContact O-CB 3.27Å; F17-M304 HydrophobicContact CB-CB 4.23Å; F17-M304 HydrophobicContact CD2-CB 4.14Å; F17-M304 HydrophobicContact CD2-CG 4.04Å; F17-M304 PolarHBondContact N-O 3.47Å; F17-M304 PolarHBondContact O-N 3.3Å; F17-F306 HydrophobicContact CD2-CE1 4.38Å; F17-F306 HydrophobicContact CD2-CZ 4.44Å; F17-F306 AromaticContact CE2-CD1 3.92Å; F17-F306 HydrophobicContact CE2-CD1 3.92Å; F17-F306 AromaticContact CE2-CD2 3.62Å; F17-F306 HydrophobicContact CE2-CD2 3.62Å; F17-F306 AromaticContact CE2-CE1 3.84Å; F17-F306 HydrophobicContact CE2-CE1 3.84Å; F17-F306 AromaticContact CE2-CE2 3.54Å; F17-F306 HydrophobicContact CE2-CE2 3.54Å; F17-F306 AromaticContact CE2-CG 3.79Å; F17-F306 HydrophobicContact CE2-CG 3.79Å; F17-F306 AromaticContact CE2-CZ 3.64Å; F17-F306 HydrophobicContact CE2-CZ 3.64Å; F17-F306 AromaticContact CZ-CD2 3.96Å; F17-F306 HydrophobicContact CZ-CD2 3.96Å; F17-F306 AromaticContact CZ-CE2 3.74Å; F17-F306 HydrophobicContact CZ-CE2 3.74Å; F17-F306 HydrophobicContact CZ-CZ 4.17Å
18	R	96.5	Very high	97	Very high	181 Å²	181	53.6 Å²	53.6	68%	0.683	26%	0.26	S	S	*	.			trans	-118.6	36.9	-177.6	-57.7	-171	174.9	79.3	0.3	111.3	N20 N303	R18-N20 PolarHBondContact O-N 3Å; R18-N303 WeakPolarHBondContact CG-OD1 3.12Å
19	E	94.9	Very high	97.1	Very high	86 Å²	86	54.1 Å²	54.1	40%	0.402	26%	0.263	S	S	.	.			trans	-71	-23.7	-179.4	-54.6	-53	131.7	0	0	112.1	F17 V46 Y48 P55	F17-E19 HydrophobicContact CB-CG 4.37Å; E19-V46 HydrophobicContact CB-CG1 4.22Å; E19-V46 HydrophobicContact CB-CG2 4.23Å; E19-V46 HydrophobicContact CG-CG1 4.21Å; E19-Y48 HydrophobicContact CG-CE1 4Å; E19-P55 HydrophobicContact CG-CB 4.09Å; E19-P55 HydrophobicContact CG-CG 4.29Å
20	N	96.1	Very high	97.1	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.059	24%	0.239	C	C	.	.			trans	-95.4	137.7	-177.7	-64.4	105.5	0	0	0	111	R18 I24 S40 D42 S44 Y48	R18-N20 PolarHBondContact O-N 3Å; N20-I24 HydrophobicContact CB-CG1 4.22Å; N20-I24 WeakPolarHBondContact OD1-CD1 3.3Å; N20-S40 WeakPolarHBondContact ND2-CB 3.34Å; N20-S40 PolarHBondContact ND2-OG 2.83Å; N20-D42 WeakPolarHBondContact CA-OD2 3.42Å; N20-D42 VanDerWaalsContact CB-OD2 3.27Å; N20-D42 WeakPolarHBondContact CB-OD2 3.26Å; N20-D42 PolarHBondContact ND2-OD2 2.95Å; N20-D42 VanDerWaalsContact ND2-OD2 3.09Å; N20-S44 PolarHBondContact ND2-OG 2.85Å; N20-Y48 PolarHBondContact OD1-OH 2.96Å
21	S	96	Very high	96.9	Very high	96 Å²	96	50.6 Å²	50.6	67%	0.671	26%	0.258	S	S	*	.	S	Bend	trans	-90.3	-20.1	172.9	57.3	0	0	0	0	112.6	D42	S21-D42 PolarHBondContact N-OD2 3.03Å; S21-D42 VanDerWaalsContact OG-CB 3.29Å; S21-D42 WeakPolarHBondContact OG-CB 3.38Å
22	D	97	Very high	96.8	Very high	81 Å²	81	53.9 Å²	53.9	43%	0.433	28%	0.276	S	S	.	.	S	Bend	trans	-126.8	-174.4	179.9	-70.1	-60.3	0	0	0	111.6	I24 S40 D41 D42	D22-I24 PolarHBondContact O-N 3.2Å; D22-S40 PolarHBondContact O-OG 2.88Å; D22-D41 HydrophobicContact CB-CB 3.89Å; D22-D42 HydrophobicContact CB-CB 4.03Å
23	K	97	Very high	96.7	Very high	80 Å²	80	47.9 Å²	47.9	35%	0.348	25%	0.253	S	S	.	.			trans	-63	130.1	-177.1	177.9	-169.1	165.1	-128.1	0	111.7	N25 S40 D41 T286	K23-N25 PolarHBondContact NZ-OD1 3.08Å; K23-N25 PolarHBondContact O-N 2.91Å; K23-S40 VanDerWaalsContact O-CA 3.3Å; K23-S40 WeakPolarHBondContact O-CA 3.38Å; K23-S40 PolarHBondContact O-OG 3.14Å; K23-S40 VanDerWaalsContact O-OG 3.11Å; K23-D41 PolarHBondContact O-N 2.96Å; K23-T286 HydrophobicContact CD-CG2 4.2Å; K23-T286 HydrophobicContact CG-CG2 4.27Å
24	I	98.3	Very high	96.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	118.8	165	-58.6	172.1	0	0	0	108.2	N20 D22 S39 T286 A300 C301 M304	N20-I24 HydrophobicContact CB-CG1 4.22Å; N20-I24 WeakPolarHBondContact OD1-CD1 3.3Å; D22-I24 PolarHBondContact O-N 3.2Å; I24-S39 CarbonylContact C-O 3.57Å; I24-S39 WeakPolarHBondContact CA-O 3.38Å; I24-T286 PolarHBondContact O-OG1 2.77Å; I24-A300 HydrophobicContact CB-CB 3.92Å; I24-A300 HydrophobicContact CD1-CB 4.06Å; I24-A300 HydrophobicContact CG2-CB 3.73Å; I24-C301 WeakPolarHBondContact CA-O 3.4Å; I24-C301 VanDerWaalsContact CB-O 3.24Å; I24-C301 WeakPolarHBondContact CB-O 3.48Å; I24-C301 PolarHBondContact N-O 2.79Å; I24-M304 HydrophobicContact CD1-CB 3.96Å; I24-M304 HydrophobicContact CD1-CE 4.33Å
25	N	97.6	Very high	96.7	Very high	15 Å²	15	47.7 Å²	47.7	8%	0.08	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-39.2	-177.9	-72.6	-45.7	0	0	0	112	K23 S39 D41 D67	K23-N25 PolarHBondContact NZ-OD1 3.08Å; K23-N25 PolarHBondContact O-N 2.91Å; N25-S39 PolarHBondContact N-O 2.97Å; N25-D41 VanDerWaalsContact ND2-CG 3.32Å; N25-D41 PolarHBondContact ND2-N 3.36Å; N25-D41 PolarHBondContact ND2-OD1 2.85Å; N25-D67 VanDerWaalsContact CB-O 3.32Å; N25-D67 WeakPolarHBondContact CB-O 3.34Å
26	C	98	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	156	-174.5	-151.7	0	0	0	0	110.4	S38 S39 D67 L68 I69 R70	C26-S38 CarbonylContact O-C 3.57Å; C26-S38 WeakPolarHBondContact O-CA 3.43Å; C26-S39 WeakPolarHBondContact CB-OG 3.5Å; C26-S39 PolarHBondContact N-O 3.25Å; C26-S39 PolarHBondContact O-N 2.79Å; C26-S39 PolarHBondContact O-OG 3.14Å; C26-D67 WeakPolarHBondContact CB-O 3.4Å; C26-L68 HydrophobicContact CB-CD2 4.4Å; C26-I69 HydrophobicContact CB-CG2 4.29Å; C26-R70 PolarHBondContact SG-NH1 2.88Å
27	F	98.4	Very high	96.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	165.8	165.2	73.7	-99.5	0	0	0	110	F29 V36 I37 C287 Q289 A298 A300 M304	F27-F29 HydrophobicContact CE2-CD2 4.2Å; F27-F29 AromaticContact CE2-CE2 3.83Å; F27-F29 HydrophobicContact CE2-CE2 3.83Å; F27-V36 HydrophobicContact CB-CG2 4.18Å; F27-V36 HydrophobicContact CD2-CG2 3.46Å; F27-V36 VanDerWaalsContact CD2-CG2 3.46Å; F27-V36 HydrophobicContact CE2-CG2 4.15Å; F27-V36 HydrophobicContact CG-CG2 4.15Å; F27-I37 CarbonylContact C-O 3.52Å; F27-I37 WeakPolarHBondContact CA-O 3.32Å; F27-I37 WeakPolarHBondContact CB-O 3.48Å; F27-C287 HydrophobicContact CD1-CB 4.28Å; F27-C287 WeakPolarHBondContact CD1-SG 3.37Å; F27-C287 HydrophobicContact CE1-CB 4.19Å; F27-Q289 HydrophobicContact CE2-CB 3.7Å; F27-Q289 HydrophobicContact CE2-CG 3.84Å; F27-Q289 HydrophobicContact CZ-CB 3.95Å; F27-Q289 HydrophobicContact CZ-CG 4Å; F27-Q289 PolarHBondContact O-NE2 3.09Å; F27-Q289 VanDerWaalsContact O-NE2 3.16Å; F27-A298 HydrophobicContact CE2-CB 3.81Å; F27-A298 HydrophobicContact CZ-CB 3.72Å; F27-A298 WeakPolarHBondContact CZ-O 3.32Å; F27-A300 HydrophobicContact CD1-CB 3.87Å; F27-A300 HydrophobicContact CE1-CB 4.02Å; F27-M304 HydrophobicContact CB-CE 3.8Å; F27-M304 HydrophobicContact CD1-CE 3.74Å; F27-M304 HydrophobicContact CD1-SD 4.45Å; F27-M304 HydrophobicContact CD2-CE 4.47Å; F27-M304 HydrophobicContact CE1-CE 4.4Å; F27-M304 HydrophobicContact CG-CE 3.78Å
28	D	98.2	Very high	96.8	Very high	29 Å²	29	40.1 Å²	40.1	16%	0.155	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144.8	176.6	-164	27	0	0	0	110.9	V36 I37 R70 Y71	D28-V36 WeakPolarHBondContact O-CA 3.15Å; D28-V36 WeakPolarHBondContact O-CG2 3.19Å; D28-I37 HydrophobicContact CB-CG2 4.22Å; D28-I37 PolarHBondContact N-O 3.37Å; D28-I37 PolarHBondContact O-N 2.83Å; D28-R70 VanDerWaalsContact OD2-CA 3.3Å; D28-R70 WeakPolarHBondContact OD2-CA 3.34Å; D28-Y71 HydrophobicContact CB-CD2 4.22Å; D28-Y71 VanDerWaalsContact O-CE2 3.26Å; D28-Y71 WeakPolarHBondContact O-CE2 3.34Å; D28-Y71 PolarHBondContact OD2-N 2.81Å
29	F	97.8	Very high	96.9	Very high	12 Å²	12	31.5 Å²	31.5	5%	0.053	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	145.8	172.2	-78.9	-78.1	0	0	0	110.7	F27 V36 Y71 Q289 N291 P292 A298	F27-F29 HydrophobicContact CE2-CD2 4.2Å; F27-F29 AromaticContact CE2-CE2 3.83Å; F27-F29 HydrophobicContact CE2-CE2 3.83Å; F29-V36 HydrophobicContact CD1-CB 3.83Å; F29-V36 HydrophobicContact CD1-CG2 4.28Å; F29-V36 HydrophobicContact CE1-CB 3.89Å; F29-V36 HydrophobicContact CE1-CG1 4.46Å; F29-V36 HydrophobicContact CE1-CG2 4.3Å; F29-V36 HydrophobicContact CG-CB 4.49Å; F29-Y71 WeakPolarHBondContact O-CD2 3.38Å; F29-Q289 HydrophobicContact CD2-CB 4.03Å; F29-Q289 HydrophobicContact CE2-CB 4.01Å; F29-Q289 WeakPolarHBondContact CE2-O 3.37Å; F29-N291 HydrophobicContact CD1-CB 4.31Å; F29-N291 WeakPolarHBondContact CD1-ND2 3.3Å; F29-N291 HydrophobicContact CE1-CB 4.02Å; F29-N291 VanDerWaalsContact CE1-ND2 3.33Å; F29-N291 WeakPolarHBondContact CE1-ND2 3.18Å; F29-N291 HydrophobicContact CE2-CB 4.4Å; F29-N291 HydrophobicContact CZ-CB 4.06Å; F29-P292 HydrophobicContact CB-CG 4.25Å; F29-A298 HydrophobicContact CE2-CB 4.08Å; F29-A298 HydrophobicContact CZ-CB 3.65Å
30	S	96.4	Very high	97.1	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.042	15%	0.152	C	C	.	.			trans	-64.7	152.1	168.4	58.5	0	0	0	0	110.2	N32 G33 E34 T35 Y71	S30-N32 WeakPolarHBondContact CB-OD1 3.49Å; S30-N32 PolarHBondContact O-N 3.36Å; S30-N32 PolarHBondContact OG-OD1 3.22Å; S30-G33 WeakPolarHBondContact O-CA 3.4Å; S30-G33 PolarHBondContact O-N 3.25Å; S30-E34 PolarHBondContact OG-N 3.35Å; S30-T35 VanDerWaalsContact CB-OG1 3.24Å; S30-T35 WeakPolarHBondContact CB-OG1 3.43Å; S30-T35 PolarHBondContact N-O 3.25Å; S30-T35 PolarHBondContact OG-N 3.43Å; S30-T35 PolarHBondContact OG-O 2.82Å; S30-T35 PolarHBondContact OG-OG1 3.04Å; S30-Y71 VanDerWaalsContact N-CD2 3.35Å; S30-Y71 VanDerWaalsContact N-CE2 3.32Å
31	P	93.4	Very high	97.2	Very high	78 Å²	78	30 Å²	30	51%	0.506	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.4	-178.1	-28.2	35.3	0	0	0	114.8
32	N	94.2	Very high	97.3	Very high	69 Å²	69	26.6 Å²	26.6	37%	0.369	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.4	175.3	68.6	-3.2	0	0	0	113.8	S30 E34 K293	S30-N32 WeakPolarHBondContact CB-OD1 3.49Å; S30-N32 PolarHBondContact O-N 3.36Å; S30-N32 PolarHBondContact OG-OD1 3.22Å; N32-E34 HydrophobicContact CB-CG 4.42Å; N32-E34 PolarHBondContact ND2-OE2 3.2Å; N32-E34 PolarHBondContact O-N 3.38Å; N32-E34 PolarHBondContact OD1-N 2.76Å; N32-K293 VanDerWaalsContact O-CG 3.25Å; N32-K293 WeakPolarHBondContact O-CG 3.45Å
33	G	95.4	Very high	97.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	69.9	2.8	178.5	0	0	0	0	0	115.3	S30 N291 F294	S30-G33 WeakPolarHBondContact O-CA 3.4Å; S30-G33 PolarHBondContact O-N 3.25Å; G33-N291 WeakPolarHBondContact CA-OD1 3.45Å; G33-N291 PolarHBondContact O-ND2 3.18Å; G33-F294 WeakPolarHBondContact O-CD2 3.5Å; G33-F294 WeakPolarHBondContact O-CE2 3.49Å
34	E	96.4	Very high	97.4	Very high	86 Å²	86	19.9 Å²	19.9	40%	0.402	11%	0.108	S	C	.	.	S	Bend	trans	-78	-23.7	-175.3	-65.1	176.8	167.6	0	0	112.9	S30 N32 C50 F294	S30-E34 PolarHBondContact OG-N 3.35Å; N32-E34 HydrophobicContact CB-CG 4.42Å; N32-E34 PolarHBondContact ND2-OE2 3.2Å; N32-E34 PolarHBondContact O-N 3.38Å; N32-E34 PolarHBondContact OD1-N 2.76Å; E34-C50 WeakPolarHBondContact O-CB 3.24Å; E34-C50 PolarHBondContact O-N 2.61Å; E34-F294 HydrophobicContact CG-CE2 4.31Å; E34-F294 HydrophobicContact CG-CZ 4.46Å
35	T	97.2	Very high	97.4	Very high	11 Å²	11	20 Å²	20	7%	0.067	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	156.4	-177.3	58.5	0	0	0	0	112	S30 L47 Y48 K56 Y71	S30-T35 VanDerWaalsContact CB-OG1 3.24Å; S30-T35 WeakPolarHBondContact CB-OG1 3.43Å; S30-T35 PolarHBondContact N-O 3.25Å; S30-T35 PolarHBondContact OG-N 3.43Å; S30-T35 PolarHBondContact OG-O 2.82Å; S30-T35 PolarHBondContact OG-OG1 3.04Å; T35-L47 HydrophobicContact CG2-CD1 4.16Å; T35-Y48 VanDerWaalsContact CA-O 3.23Å; T35-Y48 WeakPolarHBondContact CA-O 3.23Å; T35-Y48 WeakPolarHBondContact CB-O 3.18Å; T35-K56 HydrophobicContact CG2-CD 4.19Å; T35-Y71 WeakPolarHBondContact CB-OH 3.49Å; T35-Y71 PolarHBondContact OG1-OH 2.88Å
36	V	98	Very high	97.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.7	170.8	58.6	0	0	0	0	108.6	F27 D28 F29 Y48 F306	F27-V36 HydrophobicContact CB-CG2 4.18Å; F27-V36 HydrophobicContact CD2-CG2 3.46Å; F27-V36 VanDerWaalsContact CD2-CG2 3.46Å; F27-V36 HydrophobicContact CE2-CG2 4.15Å; F27-V36 HydrophobicContact CG-CG2 4.15Å; D28-V36 WeakPolarHBondContact O-CA 3.15Å; D28-V36 WeakPolarHBondContact O-CG2 3.19Å; F29-V36 HydrophobicContact CD1-CB 3.83Å; F29-V36 HydrophobicContact CD1-CG2 4.28Å; F29-V36 HydrophobicContact CE1-CB 3.89Å; F29-V36 HydrophobicContact CE1-CG1 4.46Å; F29-V36 HydrophobicContact CE1-CG2 4.3Å; F29-V36 HydrophobicContact CG-CB 4.49Å; V36-Y48 HydrophobicContact CG1-CD2 3.86Å; V36-Y48 HydrophobicContact CG1-CG 4.18Å; V36-Y48 PolarHBondContact N-O 2.97Å; V36-Y48 VanDerWaalsContact N-O 3.14Å; V36-Y48 PolarHBondContact O-N 2.77Å; V36-F306 HydrophobicContact CG1-CE1 3.63Å; V36-F306 HydrophobicContact CG1-CZ 3.38Å
37	I	98.4	Very high	97.4	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133	177.7	-165.3	68.3	0	0	0	108.9	F27 D28 I45 V46 L47 I69 Y71 V78 L94	F27-I37 CarbonylContact C-O 3.52Å; F27-I37 WeakPolarHBondContact CA-O 3.32Å; F27-I37 WeakPolarHBondContact CB-O 3.48Å; D28-I37 HydrophobicContact CB-CG2 4.22Å; D28-I37 PolarHBondContact N-O 3.37Å; D28-I37 PolarHBondContact O-N 2.83Å; I37-I45 HydrophobicContact CD1-CG2 3.33Å; I37-I45 HydrophobicContact CG1-CG2 3.62Å; I37-V46 CarbonylContact C-O 3.57Å; I37-V46 WeakPolarHBondContact CA-O 3.43Å; I37-V46 WeakPolarHBondContact CD1-O 3.34Å; I37-L47 HydrophobicContact CD1-CB 3.81Å; I37-L47 HydrophobicContact CD1-CD1 4.23Å; I37-I69 HydrophobicContact CG1-CD1 3.6Å; I37-I69 HydrophobicContact CG1-CG1 4.36Å; I37-I69 HydrophobicContact CG2-CD1 4.19Å; I37-I69 HydrophobicContact CG2-CG1 4.03Å; I37-I69 HydrophobicContact CG2-CG2 4.26Å; I37-Y71 HydrophobicContact CB-CD2 4.47Å; I37-Y71 HydrophobicContact CB-CE2 3.69Å; I37-Y71 HydrophobicContact CG2-CD2 3.73Å; I37-Y71 HydrophobicContact CG2-CE2 3.43Å; I37-Y71 VanDerWaalsContact CG2-CE2 3.43Å; I37-Y71 HydrophobicContact CG2-CG 4.5Å; I37-V78 HydrophobicContact CG1-CG1 4.27Å; I37-V78 HydrophobicContact CG2-CG1 4.11Å; I37-L94 HydrophobicContact CD1-CD1 3.95Å; I37-L94 HydrophobicContact CD1-CD2 4.06Å; I37-L94 HydrophobicContact CG1-CD1 4.46Å
38	S	98.4	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	156.5	174.7	68.1	0	0	0	0	112	C26 I45 V46 Y48	C26-S38 CarbonylContact O-C 3.57Å; C26-S38 WeakPolarHBondContact O-CA 3.43Å; S38-I45 WeakPolarHBondContact O-CA 3.35Å; S38-V46 PolarHBondContact N-O 3.25Å; S38-V46 PolarHBondContact O-N 3.13Å; S38-V46 VanDerWaalsContact O-N 3.11Å; S38-Y48 WeakPolarHBondContact OG-CE2 3.4Å
39	S	98.6	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138	168.8	48.6	0	0	0	0	110.1	I24 N25 C26 D67 I69	I24-S39 CarbonylContact C-O 3.57Å; I24-S39 WeakPolarHBondContact CA-O 3.38Å; N25-S39 PolarHBondContact N-O 2.97Å; C26-S39 WeakPolarHBondContact CB-OG 3.5Å; C26-S39 PolarHBondContact N-O 3.25Å; C26-S39 PolarHBondContact O-N 2.79Å; C26-S39 PolarHBondContact O-OG 3.14Å; S39-D67 PolarHBondContact OG-O 2.87Å; S39-I69 WeakPolarHBondContact OG-CG2 3.37Å
40	S	98.4	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.2	-174.3	175	0	0	0	0	112.7	N20 D22 K23 D42 D43 S44	N20-S40 WeakPolarHBondContact ND2-CB 3.34Å; N20-S40 PolarHBondContact ND2-OG 2.83Å; D22-S40 PolarHBondContact O-OG 2.88Å; K23-S40 VanDerWaalsContact O-CA 3.3Å; K23-S40 WeakPolarHBondContact O-CA 3.38Å; K23-S40 PolarHBondContact O-OG 3.14Å; K23-S40 VanDerWaalsContact O-OG 3.11Å; S40-D42 WeakPolarHBondContact CB-OD1 3.49Å; S40-D42 PolarHBondContact O-N 2.99Å; S40-D42 PolarHBondContact OG-N 2.76Å; S40-D42 PolarHBondContact OG-OD1 2.88Å; S40-D42 PolarHBondContact OG-OD2 3.17Å; S40-D43 PolarHBondContact O-N 3Å; S40-D43 VanDerWaalsContact O-N 3.09Å; S40-S44 PolarHBondContact N-O 3.46Å; S40-S44 VanDerWaalsContact N-O 3.17Å
41	D	98	Very high	97.2	Very high	67 Å²	67	25.9 Å²	25.9	36%	0.358	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.5	174.5	-79.5	-28.8	0	0	0	113	D22 K23 N25 D43	D22-D41 HydrophobicContact CB-CB 3.89Å; K23-D41 PolarHBondContact O-N 2.96Å; N25-D41 VanDerWaalsContact ND2-CG 3.32Å; N25-D41 PolarHBondContact ND2-N 3.36Å; N25-D41 PolarHBondContact ND2-OD1 2.85Å; D41-D43 PolarHBondContact O-N 2.86Å
42	D	98	Very high	97.2	Very high	24 Å²	24	28 Å²	28	13%	0.128	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	11.3	171.9	62.6	28.3	0	0	0	113.9	N20 S21 D22 S40 S44	N20-D42 WeakPolarHBondContact CA-OD2 3.42Å; N20-D42 VanDerWaalsContact CB-OD2 3.27Å; N20-D42 WeakPolarHBondContact CB-OD2 3.26Å; N20-D42 PolarHBondContact ND2-OD2 2.95Å; N20-D42 VanDerWaalsContact ND2-OD2 3.09Å; S21-D42 PolarHBondContact N-OD2 3.03Å; S21-D42 VanDerWaalsContact OG-CB 3.29Å; S21-D42 WeakPolarHBondContact OG-CB 3.38Å; D22-D42 HydrophobicContact CB-CB 4.03Å; S40-D42 WeakPolarHBondContact CB-OD1 3.49Å; S40-D42 PolarHBondContact O-N 2.99Å; S40-D42 PolarHBondContact OG-N 2.76Å; S40-D42 PolarHBondContact OG-OD1 2.88Å; S40-D42 PolarHBondContact OG-OD2 3.17Å; D42-S44 PolarHBondContact O-N 3.26Å; D42-S44 WeakPolarHBondContact OD1-CA 3.27Å; D42-S44 WeakPolarHBondContact OD1-CB 3.42Å; D42-S44 PolarHBondContact OD1-N 3.21Å; D42-S44 PolarHBondContact OD1-OG 2.88Å
43	D	98.2	Very high	97.3	Very high	19 Å²	19	25.6 Å²	25.6	10%	0.102	13%	0.133	C	C	.	.	S	Bend	trans	67.4	6.3	-176.8	-51.8	-53.4	0	0	0	116.2	S40 D41 Y60 S61 K62 G65 K84	S40-D43 PolarHBondContact O-N 3Å; S40-D43 VanDerWaalsContact O-N 3.09Å; D41-D43 PolarHBondContact O-N 2.86Å; D43-Y60 WeakPolarHBondContact O-CA 3.38Å; D43-S61 PolarHBondContact O-N 3.17Å; D43-K62 HydrophobicContact CB-CG 4.48Å; D43-G65 WeakPolarHBondContact OD1-CA 3.22Å; D43-K84 WeakPolarHBondContact OD1-CE 3.49Å; D43-K84 IonicContact OD1-NZ 2.71Å; D43-K84 PolarHBondContact OD1-NZ 3.32Å; D43-K84 IonicContact OD2-NZ 2.86Å; D43-K84 PolarHBondContact OD2-NZ 2.59Å
44	S	98.1	Very high	97.3	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	147.7	-178.3	73.5	0	0	0	0	112.8	N20 S40 D42 L59 V66	N20-S44 PolarHBondContact ND2-OG 2.85Å; S40-S44 PolarHBondContact N-O 3.46Å; S40-S44 VanDerWaalsContact N-O 3.17Å; D42-S44 PolarHBondContact O-N 3.26Å; D42-S44 WeakPolarHBondContact OD1-CA 3.27Å; D42-S44 WeakPolarHBondContact OD1-CB 3.42Å; D42-S44 PolarHBondContact OD1-N 3.21Å; D42-S44 PolarHBondContact OD1-OG 2.88Å; S44-L59 CarbonylContact C-O 3.59Å; S44-L59 WeakPolarHBondContact CA-O 3.11Å; S44-V66 WeakPolarHBondContact O-CG1 3.26Å
45	I	98.5	Very high	97.3	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.015	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.3	166	-66.5	169.6	0	0	0	106.7	I37 S38 T58 L59 V66 I69 Y80 L92 L94	I37-I45 HydrophobicContact CD1-CG2 3.33Å; I37-I45 HydrophobicContact CG1-CG2 3.62Å; S38-I45 WeakPolarHBondContact O-CA 3.35Å; I45-T58 WeakPolarHBondContact O-CA 3.48Å; I45-L59 HydrophobicContact CB-CB 4.25Å; I45-L59 PolarHBondContact N-O 2.86Å; I45-L59 PolarHBondContact O-N 3.42Å; I45-V66 HydrophobicContact CD1-CB 4.5Å; I45-V66 HydrophobicContact CD1-CG2 3.96Å; I45-V66 HydrophobicContact CG1-CB 4.26Å; I45-V66 HydrophobicContact CG1-CG1 4.16Å; I45-V66 HydrophobicContact CG1-CG2 3.77Å; I45-I69 HydrophobicContact CB-CD1 4.5Å; I45-I69 HydrophobicContact CD1-CD1 4.18Å; I45-I69 HydrophobicContact CG1-CD1 4.06Å; I45-I69 HydrophobicContact CG2-CD1 3.7Å; I45-Y80 HydrophobicContact CD1-CD1 3.86Å; I45-Y80 HydrophobicContact CD1-CE1 3.83Å; I45-Y80 HydrophobicContact CD1-CG 4.31Å; I45-L92 HydrophobicContact CD1-CD2 4.08Å; I45-L94 HydrophobicContact CG2-CD2 4.27Å
46	V	98.2	Very high	97.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.2	-175.9	-168.7	0	0	0	0	110.5	E19 I37 S38 Y48 P55 T58	E19-V46 HydrophobicContact CB-CG1 4.22Å; E19-V46 HydrophobicContact CB-CG2 4.23Å; E19-V46 HydrophobicContact CG-CG1 4.21Å; I37-V46 CarbonylContact C-O 3.57Å; I37-V46 WeakPolarHBondContact CA-O 3.43Å; I37-V46 WeakPolarHBondContact CD1-O 3.34Å; S38-V46 PolarHBondContact N-O 3.25Å; S38-V46 PolarHBondContact O-N 3.13Å; S38-V46 VanDerWaalsContact O-N 3.11Å; V46-Y48 HydrophobicContact CB-CD2 4.46Å; V46-Y48 HydrophobicContact CB-CE1 4.39Å; V46-Y48 HydrophobicContact CB-CE2 3.63Å; V46-Y48 WeakPolarHBondContact CB-OH 3.34Å; V46-Y48 HydrophobicContact CG1-CD1 4.17Å; V46-Y48 HydrophobicContact CG1-CD2 4.17Å; V46-Y48 HydrophobicContact CG1-CE1 3.56Å; V46-Y48 HydrophobicContact CG1-CE2 3.6Å; V46-Y48 HydrophobicContact CG1-CG 4.45Å; V46-Y48 WeakPolarHBondContact CG1-OH 3.37Å; V46-Y48 WeakPolarHBondContact O-CD2 3.28Å; V46-Y48 WeakPolarHBondContact O-CE2 3.38Å; V46-P55 HydrophobicContact CG1-CB 4.4Å; V46-T58 HydrophobicContact CG2-CG2 4.12Å
47	L	97.8	Very high	97.1	Very high	15 Å²	15	39.2 Å²	39.2	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.6	174.3	177.7	65.2	0	0	0	109	T35 I37 K56 R57 Y71 L94	T35-L47 HydrophobicContact CG2-CD1 4.16Å; I37-L47 HydrophobicContact CD1-CB 3.81Å; I37-L47 HydrophobicContact CD1-CD1 4.23Å; L47-K56 HydrophobicContact CD2-CB 4.12Å; L47-K56 HydrophobicContact CD2-CD 4.35Å; L47-K56 HydrophobicContact CG-CB 4.12Å; L47-K56 HydrophobicContact CG-CD 4.39Å; L47-K56 PolarHBondContact O-N 3.24Å; L47-R57 HydrophobicContact CB-CB 4.31Å; L47-R57 PolarHBondContact N-O 3.12Å; L47-R57 PolarHBondContact O-N 2.87Å; L47-Y71 WeakPolarHBondContact CD1-OH 3.02Å; L47-L94 HydrophobicContact CD1-CD1 4.34Å
48	Y	97.9	Very high	97.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.6	177.9	-49.7	-97.3	0	0	0	111.1	F17 E19 N20 T35 V36 S38 V46 K54 P55 M304 F306	F17-Y48 HydrophobicContact CB-CD1 4.3Å; F17-Y48 HydrophobicContact CB-CE1 3.64Å; F17-Y48 AromaticContact CD1-CD1 3.91Å; F17-Y48 HydrophobicContact CD1-CD1 3.91Å; F17-Y48 HydrophobicContact CD1-CE1 4.07Å; F17-Y48 HydrophobicContact CD2-CD1 4.08Å; F17-Y48 HydrophobicContact CD2-CE1 4.15Å; F17-Y48 HydrophobicContact CE1-CD1 4.22Å; F17-Y48 HydrophobicContact CE2-CD1 4.38Å; F17-Y48 AromaticContact CG-CD1 3.83Å; F17-Y48 HydrophobicContact CG-CD1 3.83Å; F17-Y48 AromaticContact CG-CE1 3.69Å; F17-Y48 HydrophobicContact CG-CE1 3.69Å; F17-Y48 HydrophobicContact CZ-CD1 4.44Å; E19-Y48 HydrophobicContact CG-CE1 4Å; N20-Y48 PolarHBondContact OD1-OH 2.96Å; T35-Y48 VanDerWaalsContact CA-O 3.23Å; T35-Y48 WeakPolarHBondContact CA-O 3.23Å; T35-Y48 WeakPolarHBondContact CB-O 3.18Å; V36-Y48 HydrophobicContact CG1-CD2 3.86Å; V36-Y48 HydrophobicContact CG1-CG 4.18Å; V36-Y48 PolarHBondContact N-O 2.97Å; V36-Y48 VanDerWaalsContact N-O 3.14Å; V36-Y48 PolarHBondContact O-N 2.77Å; S38-Y48 WeakPolarHBondContact OG-CE2 3.4Å; V46-Y48 HydrophobicContact CB-CD2 4.46Å; V46-Y48 HydrophobicContact CB-CE1 4.39Å; V46-Y48 HydrophobicContact CB-CE2 3.63Å; V46-Y48 WeakPolarHBondContact CB-OH 3.34Å; V46-Y48 HydrophobicContact CG1-CD1 4.17Å; V46-Y48 HydrophobicContact CG1-CD2 4.17Å; V46-Y48 HydrophobicContact CG1-CE1 3.56Å; V46-Y48 HydrophobicContact CG1-CE2 3.6Å; V46-Y48 HydrophobicContact CG1-CG 4.45Å; V46-Y48 WeakPolarHBondContact CG1-OH 3.37Å; V46-Y48 WeakPolarHBondContact O-CD2 3.28Å; V46-Y48 WeakPolarHBondContact O-CE2 3.38Å; Y48-K54 WeakPolarHBondContact CA-O 3.45Å; Y48-P55 HydrophobicContact CD1-CB 4.16Å; Y48-P55 HydrophobicContact CE1-CB 4.39Å; Y48-M304 HydrophobicContact CE2-CE 4.45Å; Y48-M304 HydrophobicContact CE2-CG 4.33Å; Y48-F306 HydrophobicContact CG-CZ 4.28Å
49	D	97	Very high	97	Very high	15 Å²	15	42 Å²	42	8%	0.08	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.1	170.1	-160.1	-69.5	0	0	0	109.7	Q51 E52 G53 K54 K56	D49-Q51 PolarHBondContact OD1-N 2.84Å; D49-E52 HydrophobicContact CB-CB 4.12Å; D49-E52 PolarHBondContact OD1-N 2.85Å; D49-G53 WeakPolarHBondContact O-CA 3.23Å; D49-G53 PolarHBondContact O-N 2.96Å; D49-K54 PolarHBondContact N-O 3.2Å; D49-K54 PolarHBondContact O-N 2.93Å; D49-K56 HydrophobicContact CB-CD 3.76Å; D49-K56 HydrophobicContact CB-CG 3.69Å; D49-K56 WeakPolarHBondContact OD2-CE 3.28Å; D49-K56 IonicContact OD2-NZ 3.12Å; D49-K56 PolarHBondContact OD2-NZ 2.59Å
50	C	96.5	Very high	97	Very high	26 Å²	26	48 Å²	48	18%	0.176	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-25.3	-178.1	-63.1	0	0	0	0	112.6	E34	E34-C50 WeakPolarHBondContact O-CB 3.24Å; E34-C50 PolarHBondContact O-N 2.61Å
51	Q	94	Very high	96.9	Very high	128 Å²	128	48.2 Å²	48.2	60%	0.598	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-45.1	-178.9	-65.1	-177.8	-0.9	0	0	111	D49	D49-Q51 PolarHBondContact OD1-N 2.84Å
52	E	95	Very high	96.9	Very high	124 Å²	124	52 Å²	52	58%	0.579	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-20.8	177.5	-67.7	-162.6	-157.6	0	0	113.6	D49 K54	D49-E52 HydrophobicContact CB-CB 4.12Å; D49-E52 PolarHBondContact OD1-N 2.85Å; E52-K54 HydrophobicContact CB-CD 4.4Å; E52-K54 HydrophobicContact CB-CG 4.4Å; E52-K54 IonicContact OE2-NZ 2.77Å; E52-K54 PolarHBondContact OE2-NZ 2.77Å
53	G	94.7	Very high	96.8	Very high	18 Å²	18	56.8 Å²	56.8	19%	0.186	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	65	43.8	-176.1	0	0	0	0	0	112.6	F17 D49	F17-G53 VanDerWaalsContact CE1-O 3.23Å; F17-G53 WeakPolarHBondContact CE1-O 3.41Å; F17-G53 WeakPolarHBondContact CZ-O 3.22Å; D49-G53 WeakPolarHBondContact O-CA 3.23Å; D49-G53 PolarHBondContact O-N 2.96Å
54	K	96.4	Very high	96.8	Very high	114 Å²	114	58.8 Å²	58.8	50%	0.496	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151	-178.1	-65.5	177.4	-160.1	151.1	0	112	Y48 D49 E52 K56	Y48-K54 WeakPolarHBondContact CA-O 3.45Å; D49-K54 PolarHBondContact N-O 3.2Å; D49-K54 PolarHBondContact O-N 2.93Å; E52-K54 HydrophobicContact CB-CD 4.4Å; E52-K54 HydrophobicContact CB-CG 4.4Å; E52-K54 IonicContact OE2-NZ 2.77Å; E52-K54 PolarHBondContact OE2-NZ 2.77Å; K54-K56 PolarHBondContact O-N 3.14Å
55	P	96.8	Very high	96.8	Very high	51 Å²	51	58.7 Å²	58.7	33%	0.331	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.1	165.6	30.5	-33.9	0	0	0	109.7	E19 V46 Y48	E19-P55 HydrophobicContact CG-CB 4.09Å; E19-P55 HydrophobicContact CG-CG 4.29Å; V46-P55 HydrophobicContact CG1-CB 4.4Å; Y48-P55 HydrophobicContact CD1-CB 4.16Å; Y48-P55 HydrophobicContact CE1-CB 4.39Å
56	K	95.6	Very high	96.8	Very high	121 Å²	121	58.6 Å²	58.6	53%	0.526	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-41.3	174.6	-60	-174	88.2	143.2	0	111.6	T35 L47 D49 K54	T35-K56 HydrophobicContact CG2-CD 4.19Å; L47-K56 HydrophobicContact CD2-CB 4.12Å; L47-K56 HydrophobicContact CD2-CD 4.35Å; L47-K56 HydrophobicContact CG-CB 4.12Å; L47-K56 HydrophobicContact CG-CD 4.39Å; L47-K56 PolarHBondContact O-N 3.24Å; D49-K56 HydrophobicContact CB-CD 3.76Å; D49-K56 HydrophobicContact CB-CG 3.69Å; D49-K56 WeakPolarHBondContact OD2-CE 3.28Å; D49-K56 IonicContact OD2-NZ 3.12Å; D49-K56 PolarHBondContact OD2-NZ 2.59Å; K54-K56 PolarHBondContact O-N 3.14Å
57	R	95.6	Very high	96.8	Very high	97 Å²	97	59.1 Å²	59.1	37%	0.366	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	144.1	-172.9	-164.8	169.6	-173.1	162.3	-2.3	111.7	L47 L59 L94 H95	L47-R57 HydrophobicContact CB-CB 4.31Å; L47-R57 PolarHBondContact N-O 3.12Å; L47-R57 PolarHBondContact O-N 2.87Å; R57-L59 HydrophobicContact CG-CD2 4.16Å; R57-L59 HydrophobicContact CG-CG 4.43Å; R57-L94 PolarHBondContact NH1-O 3.48Å; R57-H95 PolarHBondContact NH1-O 2.89Å
58	T	97	Very high	96.8	Very high	48 Å²	48	59.4 Å²	59.4	29%	0.294	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.4	169.5	-55.8	0	0	0	0	109	I45 V46 Y60	I45-T58 WeakPolarHBondContact O-CA 3.48Å; V46-T58 HydrophobicContact CG2-CG2 4.12Å; T58-Y60 HydrophobicContact CG2-CD2 4.43Å; T58-Y60 HydrophobicContact CG2-CE1 4.37Å; T58-Y60 HydrophobicContact CG2-CE2 3.75Å
59	L	97.4	Very high	96.9	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.063	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	160.5	172.8	-57.3	177.6	0	0	0	108.7	S44 I45 R57 L92 L94 N97	S44-L59 CarbonylContact C-O 3.59Å; S44-L59 WeakPolarHBondContact CA-O 3.11Å; I45-L59 HydrophobicContact CB-CB 4.25Å; I45-L59 PolarHBondContact N-O 2.86Å; I45-L59 PolarHBondContact O-N 3.42Å; R57-L59 HydrophobicContact CG-CD2 4.16Å; R57-L59 HydrophobicContact CG-CG 4.43Å; L59-L92 HydrophobicContact CD1-CD2 3.92Å; L59-L94 HydrophobicContact CD1-CD2 3.73Å; L59-N97 HydrophobicContact CD2-CB 4.05Å
60	Y	97.5	Very high	97	Very high	126 Å²	126	60.1 Å²	60.1	49%	0.494	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.6	179.5	-67.6	-86	0	0	0	111.6	D43 T58	D43-Y60 WeakPolarHBondContact O-CA 3.38Å; T58-Y60 HydrophobicContact CG2-CD2 4.43Å; T58-Y60 HydrophobicContact CG2-CE1 4.37Å; T58-Y60 HydrophobicContact CG2-CE2 3.75Å
61	S	97.1	Very high	97.1	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.021	27%	0.272	C	S	.	.			trans	-111.6	48.8	170	-166.1	0	0	0	0	111.4	D43 K63 Y64 G65 Y80	D43-S61 PolarHBondContact O-N 3.17Å; S61-K63 PolarHBondContact O-N 2.88Å; S61-Y64 PolarHBondContact O-N 2.87Å; S61-G65 WeakPolarHBondContact O-CA 3.32Å; S61-G65 PolarHBondContact O-N 3.44Å; S61-G65 PolarHBondContact OG-O 3.18Å; S61-Y80 WeakPolarHBondContact CB-OH 3.16Å; S61-Y80 PolarHBondContact OG-OH 3.2Å
62	K	97	Very high	97.2	Very high	146 Å²	146	53.5 Å²	53.5	64%	0.635	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-37.4	-170.1	-58.3	-167	175.9	-173.8	0	115.1	D43	D43-K62 HydrophobicContact CB-CG 4.48Å
63	K	97.6	Very high	97.2	Very high	125 Å²	125	51.3 Å²	51.3	54%	0.543	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-39.6	-177.8	-178.2	174	-179.7	-166	0	112.6	S61 I85	S61-K63 PolarHBondContact O-N 2.88Å; K63-I85 HydrophobicContact CD-CD1 4.28Å; K63-I85 HydrophobicContact CG-CD1 3.5Å; K63-I85 VanDerWaalsContact CG-CD1 3.5Å; K63-I85 WeakPolarHBondContact O-CD1 3.49Å; K63-I85 VanDerWaalsContact O-CG1 3.3Å; K63-I85 WeakPolarHBondContact O-CG1 3.25Å
64	Y	97.8	Very high	97.1	Very high	61 Å²	61	52.5 Å²	52.5	24%	0.239	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-10.8	-170.4	-59.4	-73.2	0	0	0	113.7	S61 S82 N83 K84 I85 D86 R90	S61-Y64 PolarHBondContact O-N 2.87Å; Y64-S82 WeakPolarHBondContact CB-OG 3.17Å; Y64-S82 VanDerWaalsContact O-CB 3.27Å; Y64-S82 WeakPolarHBondContact O-CB 3.49Å; Y64-N83 PolarHBondContact O-N 2.88Å; Y64-N83 VanDerWaalsContact O-N 3.15Å; Y64-K84 PolarHBondContact O-N 2.82Å; Y64-K84 VanDerWaalsContact O-N 3.11Å; Y64-I85 HydrophobicContact CD1-CB 3.95Å; Y64-I85 HydrophobicContact CD1-CD1 4.46Å; Y64-I85 HydrophobicContact CD1-CG2 4.38Å; Y64-I85 HydrophobicContact CE1-CB 4.25Å; Y64-I85 HydrophobicContact CE1-CD1 4.4Å; Y64-I85 HydrophobicContact CE1-CG2 4.21Å; Y64-D86 WeakPolarHBondContact CD1-OD1 3.39Å; Y64-R90 VanDerWaalsContact CG-NH2 3.32Å
65	G	98.1	Very high	96.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.			trans	66.7	178.2	-173.9	0	0	0	0	0	113.2	D43 S61 Y80 N83	D43-G65 WeakPolarHBondContact OD1-CA 3.22Å; S61-G65 WeakPolarHBondContact O-CA 3.32Å; S61-G65 PolarHBondContact O-N 3.44Å; S61-G65 PolarHBondContact OG-O 3.18Å; G65-Y80 WeakPolarHBondContact O-CE2 3.34Å; G65-N83 VanDerWaalsContact CA-OD1 3.27Å; G65-N83 WeakPolarHBondContact CA-OD1 3.17Å
66	V	98.6	Very high	96.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.			trans	-147.3	133.2	178.6	62.3	0	0	0	0	108.7	S44 I45 Y80 S81 N83	S44-V66 WeakPolarHBondContact O-CG1 3.26Å; I45-V66 HydrophobicContact CD1-CB 4.5Å; I45-V66 HydrophobicContact CD1-CG2 3.96Å; I45-V66 HydrophobicContact CG1-CB 4.26Å; I45-V66 HydrophobicContact CG1-CG1 4.16Å; I45-V66 HydrophobicContact CG1-CG2 3.77Å; V66-Y80 HydrophobicContact CB-CD2 4.05Å; V66-Y80 HydrophobicContact CB-CE2 4.23Å; V66-Y80 HydrophobicContact CG2-CD2 3.57Å; V66-Y80 HydrophobicContact CG2-CE2 4.18Å; V66-Y80 HydrophobicContact CG2-CG 3.87Å; V66-S81 WeakPolarHBondContact CA-O 3.33Å; V66-N83 PolarHBondContact N-OD1 2.88Å
67	D	98.1	Very high	96.6	Very high	11 Å²	11	47 Å²	47	6%	0.059	23%	0.233	C	C	.	.			trans	-126.2	-73.1	-177.8	-169.2	27.2	0	0	0	111.9	N25 C26 S39 S81 N83 R109	N25-D67 VanDerWaalsContact CB-O 3.32Å; N25-D67 WeakPolarHBondContact CB-O 3.34Å; C26-D67 WeakPolarHBondContact CB-O 3.4Å; S39-D67 PolarHBondContact OG-O 2.87Å; D67-S81 PolarHBondContact N-O 2.96Å; D67-N83 HydrophobicContact CB-CB 3.89Å; D67-R109 IonicContact OD1-CZ 3.74Å; D67-R109 IonicContact OD1-NH2 3.71Å; D67-R109 PolarHBondContact OD1-NH2 3.35Å; D67-R109 IonicContact OD2-CZ 3.52Å; D67-R109 IonicContact OD2-NE 3.99Å; D67-R109 PolarHBondContact OD2-NE 3.01Å; D67-R109 IonicContact OD2-NH2 2.65Å; D67-R109 PolarHBondContact OD2-NH2 3.15Å
68	L	98.4	Very high	96.8	Very high	22 Å²	22	42.4 Å²	42.4	12%	0.115	22%	0.216	C	C	.	.			trans	-94	145.5	174.3	-54	175.6	0	0	0	109.7	C26 Y80 S81 V110 L113	C26-L68 HydrophobicContact CB-CD2 4.4Å; L68-Y80 CarbonylContact O-C 3.58Å; L68-Y80 WeakPolarHBondContact O-CA 3.41Å; L68-Y80 WeakPolarHBondContact O-CB 3.36Å; L68-S81 WeakPolarHBondContact CB-OG 3.16Å; L68-S81 PolarHBondContact N-OG 3.23Å; L68-S81 PolarHBondContact O-N 3.44Å; L68-V110 HydrophobicContact CD1-CG1 4.13Å; L68-L113 HydrophobicContact CB-CB 3.91Å; L68-L113 HydrophobicContact CB-CD2 3.99Å; L68-L113 HydrophobicContact CD1-CB 3.79Å
69	I	98.7	Very high	96.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	139.6	178.9	-167.1	158.3	0	0	0	111.3	C26 I37 S39 I45 V78 V79	C26-I69 HydrophobicContact CB-CG2 4.29Å; I37-I69 HydrophobicContact CG1-CD1 3.6Å; I37-I69 HydrophobicContact CG1-CG1 4.36Å; I37-I69 HydrophobicContact CG2-CD1 4.19Å; I37-I69 HydrophobicContact CG2-CG1 4.03Å; I37-I69 HydrophobicContact CG2-CG2 4.26Å; S39-I69 WeakPolarHBondContact OG-CG2 3.37Å; I45-I69 HydrophobicContact CB-CD1 4.5Å; I45-I69 HydrophobicContact CD1-CD1 4.18Å; I45-I69 HydrophobicContact CG1-CD1 4.06Å; I45-I69 HydrophobicContact CG2-CD1 3.7Å; I69-V78 HydrophobicContact CD1-CB 4.42Å; I69-V78 HydrophobicContact CD1-CG2 4.18Å; I69-V78 HydrophobicContact CG1-CB 4.18Å; I69-V78 HydrophobicContact CG1-CG2 4.42Å; I69-V79 CarbonylContact C-O 3.56Å; I69-V79 WeakPolarHBondContact CA-O 3.25Å
70	R	98.5	Very high	96.9	Very high	29 Å²	29	39.5 Å²	39.5	11%	0.109	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.6	176.1	-62.7	-68.3	175.3	-109.2	7.4	110.7	C26 D28 V78 V79 L113 M115 E244	C26-R70 PolarHBondContact SG-NH1 2.88Å; D28-R70 VanDerWaalsContact OD2-CA 3.3Å; D28-R70 WeakPolarHBondContact OD2-CA 3.34Å; R70-V78 CarbonylContact O-C 3.52Å; R70-V78 WeakPolarHBondContact O-CA 3.4Å; R70-V78 WeakPolarHBondContact O-CB 3.43Å; R70-V79 HydrophobicContact CB-CG2 4.06Å; R70-V79 PolarHBondContact N-O 2.93Å; R70-V79 PolarHBondContact O-N 2.9Å; R70-L113 HydrophobicContact CG-CD2 4.31Å; R70-L113 HydrophobicContact CG-CG 4.19Å; R70-L113 PolarHBondContact NE-O 3.01Å; R70-M115 HydrophobicContact CB-CG 3.92Å; R70-E244 IonicContact NH2-OE1 2.69Å
71	Y	98.3	Very high	97	Very high	12 Å²	12	33.5 Å²	33.5	5%	0.047	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	143	165.7	-85.6	-78.3	0	0	0	110.4	D28 F29 S30 T35 I37 L47 V78 L94 M115	D28-Y71 HydrophobicContact CB-CD2 4.22Å; D28-Y71 VanDerWaalsContact O-CE2 3.26Å; D28-Y71 WeakPolarHBondContact O-CE2 3.34Å; D28-Y71 PolarHBondContact OD2-N 2.81Å; F29-Y71 WeakPolarHBondContact O-CD2 3.38Å; S30-Y71 VanDerWaalsContact N-CD2 3.35Å; S30-Y71 VanDerWaalsContact N-CE2 3.32Å; T35-Y71 WeakPolarHBondContact CB-OH 3.49Å; T35-Y71 PolarHBondContact OG1-OH 2.88Å; I37-Y71 HydrophobicContact CB-CD2 4.47Å; I37-Y71 HydrophobicContact CB-CE2 3.69Å; I37-Y71 HydrophobicContact CG2-CD2 3.73Å; I37-Y71 HydrophobicContact CG2-CE2 3.43Å; I37-Y71 VanDerWaalsContact CG2-CE2 3.43Å; I37-Y71 HydrophobicContact CG2-CG 4.5Å; L47-Y71 WeakPolarHBondContact CD1-OH 3.02Å; Y71-V78 HydrophobicContact CD1-CG1 3.93Å; Y71-V78 HydrophobicContact CE1-CG1 4.17Å; Y71-V78 HydrophobicContact CG-CG1 4.33Å; Y71-L94 HydrophobicContact CE1-CD1 4.08Å; Y71-M115 VanDerWaalsContact O-CG 3.26Å; Y71-M115 WeakPolarHBondContact O-CG 3.34Å
72	T	97.6	Very high	97	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	17%	0.174	C	C	.	.			trans	-92.6	177.8	164.9	92.4	0	0	0	0	110.7	A74 T77 V79 Y91 M115 L136	T72-A74 VanDerWaalsContact C-N 3.27Å; T72-A74 PolarHBondContact O-N 3.41Å; T72-A74 PolarHBondContact OG1-N 2.89Å; T72-A74 VanDerWaalsContact OG1-N 3.13Å; T72-T77 PolarHBondContact N-O 3Å; T72-T77 PolarHBondContact OG1-OG1 3.45Å; T72-V79 HydrophobicContact CG2-CG1 4.04Å; T72-Y91 HydrophobicContact CG2-CD2 4.02Å; T72-Y91 HydrophobicContact CG2-CE2 3.52Å; T72-M115 HydrophobicContact CG2-CE 4.43Å; T72-M115 HydrophobicContact CG2-SD 4.16Å; T72-L136 HydrophobicContact CG2-CD1 3.77Å; T72-L136 HydrophobicContact CG2-CD2 4.27Å
73	H	94.3	Very high	97	Very high	79 Å²	79	28.3 Å²	28.3	37%	0.366	15%	0.154	S	C	.	.	S	Bend	trans	-70.2	-23.5	175	-56.6	-62.2	0	0	0	113.4	S116 P117 D119 D120	H73-S116 PolarHBondContact CE1-O 2.9Å; H73-S116 PolarHBondContact NE2-O 3.15Å; H73-P117 PolarHBondContact CE1-O 3.47Å; H73-D119 VanDerWaalsContact CD2-C 3.44Å; H73-D119 PolarHBondContact CD2-O 3.03Å; H73-D119 PolarHBondContact NE2-O 3.42Å; H73-D120 IonicContact CD2-OD1 3.96Å
74	A	92.3	Very high	97	Very high	42 Å²	42	27.7 Å²	27.7	35%	0.347	15%	0.151	S	C	.	.	S	Bend	trans	-76.2	134.8	176.4	0	0	0	0	0	110.7	T72 N76 T77	T72-A74 VanDerWaalsContact C-N 3.27Å; T72-A74 PolarHBondContact O-N 3.41Å; T72-A74 PolarHBondContact OG1-N 2.89Å; T72-A74 VanDerWaalsContact OG1-N 3.13Å; A74-N76 PolarHBondContact O-N 3.1Å; A74-T77 HydrophobicContact CB-CG2 4.16Å; A74-T77 WeakPolarHBondContact CB-OG1 3.45Å; A74-T77 PolarHBondContact O-N 3.12Å; A74-T77 PolarHBondContact O-OG1 3.13Å
75	A	89.3	Confident	96.9	Very high	87 Å²	87	30 Å²	30	72%	0.719	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	132.5	-176.1	0	0	0	0	0	112.2	T77	A75-T77 WeakPolarHBondContact O-CG2 3.36Å; A75-T77 PolarHBondContact O-N 3.34Å
76	N	92.4	Very high	96.9	Very high	74 Å²	74	32.2 Å²	32.2	40%	0.396	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	34.7	176.8	-59.1	-44.6	0	0	0	114.2	A74 L94 H95	A74-N76 PolarHBondContact O-N 3.1Å; N76-L94 HydrophobicContact CB-CB 4.41Å; N76-L94 VanDerWaalsContact O-CB 3.27Å; N76-L94 WeakPolarHBondContact O-CB 3.19Å; N76-L94 PolarHBondContact O-N 3.12Å; N76-H95 HydrophobicContact CB-CB 4.4Å
77	T	97.6	Very high	96.8	Very high	10 Å²	10	33.9 Å²	33.9	6%	0.061	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.3	174.6	69.4	0	0	0	0	111.7	T72 A74 A75 Y91 L92 I100	T72-T77 PolarHBondContact N-O 3Å; T72-T77 PolarHBondContact OG1-OG1 3.45Å; A74-T77 HydrophobicContact CB-CG2 4.16Å; A74-T77 WeakPolarHBondContact CB-OG1 3.45Å; A74-T77 PolarHBondContact O-N 3.12Å; A74-T77 PolarHBondContact O-OG1 3.13Å; A75-T77 WeakPolarHBondContact O-CG2 3.36Å; A75-T77 PolarHBondContact O-N 3.34Å; T77-Y91 HydrophobicContact CG2-CE2 4.3Å; T77-Y91 PolarHBondContact OG1-OH 3.16Å; T77-L92 VanDerWaalsContact CA-O 3.29Å; T77-L92 WeakPolarHBondContact CA-O 3.42Å; T77-I100 HydrophobicContact CG2-CD1 3.93Å
78	V	98.6	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150	-175.5	-62.3	0	0	0	0	111.4	I37 I69 R70 Y71 Y91 L92 L94	I37-V78 HydrophobicContact CG1-CG1 4.27Å; I37-V78 HydrophobicContact CG2-CG1 4.11Å; I69-V78 HydrophobicContact CD1-CB 4.42Å; I69-V78 HydrophobicContact CD1-CG2 4.18Å; I69-V78 HydrophobicContact CG1-CB 4.18Å; I69-V78 HydrophobicContact CG1-CG2 4.42Å; R70-V78 CarbonylContact O-C 3.52Å; R70-V78 WeakPolarHBondContact O-CA 3.4Å; R70-V78 WeakPolarHBondContact O-CB 3.43Å; Y71-V78 HydrophobicContact CD1-CG1 3.93Å; Y71-V78 HydrophobicContact CE1-CG1 4.17Å; Y71-V78 HydrophobicContact CG-CG1 4.33Å; V78-Y91 WeakPolarHBondContact O-CA 3.47Å; V78-Y91 WeakPolarHBondContact O-CD2 3.45Å; V78-L92 HydrophobicContact CG2-CB 4.04Å; V78-L92 HydrophobicContact CG2-CD2 4.39Å; V78-L92 PolarHBondContact N-O 2.85Å; V78-L92 PolarHBondContact O-N 2.98Å; V78-L94 HydrophobicContact CG1-CD1 3.77Å; V78-L94 HydrophobicContact CG1-CD2 4.32Å; V78-L94 HydrophobicContact CG1-CG 4.13Å; V78-L94 HydrophobicContact CG2-CD2 3.78Å; V78-L94 HydrophobicContact CG2-CG 4.2Å
79	V	98.7	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.8	161	-68.9	0	0	0	0	109.8	I69 R70 T72 I89 R90 Y91 F103 L113 M115 F122 L136	I69-V79 CarbonylContact C-O 3.56Å; I69-V79 WeakPolarHBondContact CA-O 3.25Å; R70-V79 HydrophobicContact CB-CG2 4.06Å; R70-V79 PolarHBondContact N-O 2.93Å; R70-V79 PolarHBondContact O-N 2.9Å; T72-V79 HydrophobicContact CG2-CG1 4.04Å; V79-I89 HydrophobicContact CB-CG2 4.25Å; V79-R90 CarbonylContact C-O 3.52Å; V79-R90 VanDerWaalsContact CA-O 3.28Å; V79-R90 WeakPolarHBondContact CA-O 3.42Å; V79-Y91 HydrophobicContact CG1-CD2 3.98Å; V79-Y91 HydrophobicContact CG1-CG 4.37Å; V79-F103 HydrophobicContact CG1-CE2 4.28Å; V79-L113 HydrophobicContact CG2-CD2 4.25Å; V79-M115 HydrophobicContact CG2-CG 4.18Å; V79-M115 HydrophobicContact CG2-SD 3.71Å; V79-F122 HydrophobicContact CG1-CE1 4.39Å; V79-L136 HydrophobicContact CG1-CD2 3.51Å
80	Y	98.7	Very high	96.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.6	175.3	75.6	-98.6	0	0	0	112	I45 S61 G65 V66 L68 I89 R90 L92 Y99	I45-Y80 HydrophobicContact CD1-CD1 3.86Å; I45-Y80 HydrophobicContact CD1-CE1 3.83Å; I45-Y80 HydrophobicContact CD1-CG 4.31Å; S61-Y80 WeakPolarHBondContact CB-OH 3.16Å; S61-Y80 PolarHBondContact OG-OH 3.2Å; G65-Y80 WeakPolarHBondContact O-CE2 3.34Å; V66-Y80 HydrophobicContact CB-CD2 4.05Å; V66-Y80 HydrophobicContact CB-CE2 4.23Å; V66-Y80 HydrophobicContact CG2-CD2 3.57Å; V66-Y80 HydrophobicContact CG2-CE2 4.18Å; V66-Y80 HydrophobicContact CG2-CG 3.87Å; L68-Y80 CarbonylContact O-C 3.58Å; L68-Y80 WeakPolarHBondContact O-CA 3.41Å; L68-Y80 WeakPolarHBondContact O-CB 3.36Å; Y80-I89 CarbonylContact O-C 3.58Å; Y80-I89 WeakPolarHBondContact O-CA 3.48Å; Y80-I89 WeakPolarHBondContact O-CG2 3.21Å; Y80-R90 HydrophobicContact CD1-CB 4.13Å; Y80-R90 HydrophobicContact CD2-CB 4.5Å; Y80-R90 HydrophobicContact CE1-CB 3.73Å; Y80-R90 HydrophobicContact CE2-CB 4.13Å; Y80-R90 HydrophobicContact CE2-CG 4.2Å; Y80-R90 PolarHBondContact N-O 3.18Å; Y80-R90 PolarHBondContact O-N 3.31Å; Y80-R90 WeakPolarHBondContact OH-CD 3.39Å; Y80-L92 HydrophobicContact CE1-CB 4.3Å; Y80-L92 HydrophobicContact CE1-CD2 4.1Å; Y80-Y99 HydrophobicContact CE1-CE1 4.01Å; Y80-Y99 WeakPolarHBondContact OH-CE1 3.4Å; Y80-Y99 PolarHBondContact OH-OH 3.21Å
81	S	98.7	Very high	96.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.3	175.1	61.9	0	0	0	0	111.8	V66 D67 L68	V66-S81 WeakPolarHBondContact CA-O 3.33Å; D67-S81 PolarHBondContact N-O 2.96Å; L68-S81 WeakPolarHBondContact CB-OG 3.16Å; L68-S81 PolarHBondContact N-OG 3.23Å; L68-S81 PolarHBondContact O-N 3.44Å
82	S	98.5	Very high	96.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.			trans	-76.2	153.2	166.7	-70.9	0	0	0	0	111.5	Y64 D86 T88 R90	Y64-S82 WeakPolarHBondContact CB-OG 3.17Å; Y64-S82 VanDerWaalsContact O-CB 3.27Å; Y64-S82 WeakPolarHBondContact O-CB 3.49Å; S82-D86 CarbonylContact C-O 3.54Å; S82-D86 WeakPolarHBondContact CB-O 3.26Å; S82-T88 WeakPolarHBondContact CB-O 3.49Å; S82-T88 PolarHBondContact N-O 3.32Å; S82-T88 VanDerWaalsContact N-O 3.07Å; S82-T88 PolarHBondContact OG-O 3Å; S82-R90 WeakPolarHBondContact OG-CD 3.38Å; S82-R90 PolarHBondContact OG-NE 2.84Å
83	N	96.9	Very high	96.8	Very high	40 Å²	40	33 Å²	33	21%	0.214	18%	0.184	C	C	.	.			trans	-142.5	13.8	-176.4	65	-15.9	0	0	0	113.7	Y64 G65 V66 D67	Y64-N83 PolarHBondContact O-N 2.88Å; Y64-N83 VanDerWaalsContact O-N 3.15Å; G65-N83 VanDerWaalsContact CA-OD1 3.27Å; G65-N83 WeakPolarHBondContact CA-OD1 3.17Å; V66-N83 PolarHBondContact N-OD1 2.88Å; D67-N83 HydrophobicContact CB-CB 3.89Å
84	K	96.8	Very high	96.9	Very high	111 Å²	111	29.4 Å²	29.4	48%	0.483	17%	0.168	S	C	.	.	S	Bend	trans	-112.4	-96.2	175.9	-66.2	-176.2	168.8	-178.8	0	112.2	D43 Y64	D43-K84 WeakPolarHBondContact OD1-CE 3.49Å; D43-K84 IonicContact OD1-NZ 2.71Å; D43-K84 PolarHBondContact OD1-NZ 3.32Å; D43-K84 IonicContact OD2-NZ 2.86Å; D43-K84 PolarHBondContact OD2-NZ 2.59Å; Y64-K84 PolarHBondContact O-N 2.82Å; Y64-K84 VanDerWaalsContact O-N 3.11Å
85	I	96.1	Very high	96.9	Very high	111 Å²	111	33.2 Å²	33.2	57%	0.569	18%	0.179	S	C	*	.	S	Bend	trans	-68.9	-36.1	-171.9	-67.2	178.7	0	0	0	112	K63 Y64	K63-I85 HydrophobicContact CD-CD1 4.28Å; K63-I85 HydrophobicContact CG-CD1 3.5Å; K63-I85 VanDerWaalsContact CG-CD1 3.5Å; K63-I85 WeakPolarHBondContact O-CD1 3.49Å; K63-I85 VanDerWaalsContact O-CG1 3.3Å; K63-I85 WeakPolarHBondContact O-CG1 3.25Å; Y64-I85 HydrophobicContact CD1-CB 3.95Å; Y64-I85 HydrophobicContact CD1-CD1 4.46Å; Y64-I85 HydrophobicContact CD1-CG2 4.38Å; Y64-I85 HydrophobicContact CE1-CB 4.25Å; Y64-I85 HydrophobicContact CE1-CD1 4.4Å; Y64-I85 HydrophobicContact CE1-CG2 4.21Å
86	D	97	Very high	97.1	Very high	46 Å²	46	33.1 Å²	33.1	25%	0.246	17%	0.166	C	C	.	.			trans	-144.9	167	178.5	67.1	-1.8	0	0	0	111.2	Y64 S82 T88 R90	Y64-D86 WeakPolarHBondContact CD1-OD1 3.39Å; S82-D86 CarbonylContact C-O 3.54Å; S82-D86 WeakPolarHBondContact CB-O 3.26Å; D86-T88 VanDerWaalsContact C-N 3.34Å; D86-T88 VanDerWaalsContact CG-OG1 3.26Å; D86-T88 WeakPolarHBondContact OD2-CB 3.18Å; D86-T88 PolarHBondContact OD2-OG1 3.12Å; D86-R90 IonicContact OD1-CZ 2.81Å; D86-R90 IonicContact OD1-NH2 3.91Å; D86-R90 PolarHBondContact OD1-NH2 3.11Å; D86-R90 IonicContact OD2-NH2 3.58Å; D86-R90 PolarHBondContact OD2-NH2 2.81Å; D86-R90 VanDerWaalsContact OD2-NH2 3.12Å
87	D	97.7	Very high	97.2	Very high	34 Å²	34	33.3 Å²	33.3	18%	0.182	17%	0.167	C	C	.	.			trans	-99.6	20.3	179.2	-53.4	-69.8	0	0	0	112.2	H106 K108 R109 V110	D87-H106 HydrophobicContact CB-CB 4.12Å; D87-K108 VanDerWaalsContact CB-O 3.31Å; D87-K108 WeakPolarHBondContact CB-O 3.43Å; D87-K108 VanDerWaalsContact CG-CA 3.5Å; D87-K108 VanDerWaalsContact CG-O 3.25Å; D87-K108 VanDerWaalsContact OD2-C 3.24Å; D87-K108 WeakPolarHBondContact OD2-CA 3.24Å; D87-K108 PolarHBondContact OD2-N 2.74Å; D87-R109 WeakPolarHBondContact OD1-CA 3.37Å; D87-R109 PolarHBondContact OD1-N 2.97Å; D87-V110 WeakPolarHBondContact O-CG2 3.37Å
88	T	98.5	Very high	97.1	Very high	15 Å²	15	39.5 Å²	39.5	9%	0.092	19%	0.193	C	C	.	.			trans	-65.8	136.1	-177.4	-62.5	0	0	0	0	110.5	S82 D86 R90	S82-T88 WeakPolarHBondContact CB-O 3.49Å; S82-T88 PolarHBondContact N-O 3.32Å; S82-T88 VanDerWaalsContact N-O 3.07Å; S82-T88 PolarHBondContact OG-O 3Å; D86-T88 VanDerWaalsContact C-N 3.34Å; D86-T88 VanDerWaalsContact CG-OG1 3.26Å; D86-T88 WeakPolarHBondContact OD2-CB 3.18Å; D86-T88 PolarHBondContact OD2-OG1 3.12Å; T88-R90 HydrophobicContact CG2-CG 4.4Å
89	I	98.9	Very high	97	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.4	169.4	-59.3	166.7	0	0	0	108.4	V79 Y80 F103 V110 L113 F122 S124	V79-I89 HydrophobicContact CB-CG2 4.25Å; Y80-I89 CarbonylContact O-C 3.58Å; Y80-I89 WeakPolarHBondContact O-CA 3.48Å; Y80-I89 WeakPolarHBondContact O-CG2 3.21Å; I89-F103 HydrophobicContact CB-CB 4.22Å; I89-F103 HydrophobicContact CB-CD2 4.22Å; I89-F103 HydrophobicContact CG2-CD2 4.04Å; I89-F103 PolarHBondContact N-O 3.1Å; I89-F103 WeakPolarHBondContact O-CD2 3.22Å; I89-F103 PolarHBondContact O-N 3.42Å; I89-V110 HydrophobicContact CD1-CG1 4.3Å; I89-V110 HydrophobicContact CD1-CG2 4.28Å; I89-V110 HydrophobicContact CG1-CG2 4.08Å; I89-L113 HydrophobicContact CD1-CD1 3.98Å; I89-L113 HydrophobicContact CG2-CD1 4.34Å; I89-F122 HydrophobicContact CD1-CE2 3.95Å; I89-F122 HydrophobicContact CG2-CE2 3.94Å; I89-F122 HydrophobicContact CG2-CZ 4.1Å; I89-S124 VanDerWaalsContact CD1-CB 3.46Å; I89-S124 WeakPolarHBondContact CD1-OG 3.44Å
90	R	98.7	Very high	97	Very high	10 Å²	10	47.2 Å²	47.2	4%	0.038	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.4	-171.1	-55.9	-174.6	176.9	-78.6	-9.8	110.2	Y64 V79 Y80 S82 D86 T88 Y99 Y102	Y64-R90 VanDerWaalsContact CG-NH2 3.32Å; V79-R90 CarbonylContact C-O 3.52Å; V79-R90 VanDerWaalsContact CA-O 3.28Å; V79-R90 WeakPolarHBondContact CA-O 3.42Å; Y80-R90 HydrophobicContact CD1-CB 4.13Å; Y80-R90 HydrophobicContact CD2-CB 4.5Å; Y80-R90 HydrophobicContact CE1-CB 3.73Å; Y80-R90 HydrophobicContact CE2-CB 4.13Å; Y80-R90 HydrophobicContact CE2-CG 4.2Å; Y80-R90 PolarHBondContact N-O 3.18Å; Y80-R90 PolarHBondContact O-N 3.31Å; Y80-R90 WeakPolarHBondContact OH-CD 3.39Å; S82-R90 WeakPolarHBondContact OG-CD 3.38Å; S82-R90 PolarHBondContact OG-NE 2.84Å; D86-R90 IonicContact OD1-CZ 2.81Å; D86-R90 IonicContact OD1-NH2 3.91Å; D86-R90 PolarHBondContact OD1-NH2 3.11Å; D86-R90 IonicContact OD2-NH2 3.58Å; D86-R90 PolarHBondContact OD2-NH2 2.81Å; D86-R90 VanDerWaalsContact OD2-NH2 3.12Å; T88-R90 HydrophobicContact CG2-CG 4.4Å; R90-Y99 HydrophobicContact CB-CD1 4.21Å; R90-Y99 HydrophobicContact CB-CE1 4.1Å; R90-Y102 HydrophobicContact CB-CD1 4.46Å; R90-Y102 HydrophobicContact CG-CD1 4.11Å
91	Y	98.6	Very high	96.9	Very high	22 Å²	22	50.9 Å²	50.9	9%	0.086	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.5	174.2	-175.2	-155.4	0	0	0	109.9	T72 T77 V78 V79 Y99 I100 R101 L136	T72-Y91 HydrophobicContact CG2-CD2 4.02Å; T72-Y91 HydrophobicContact CG2-CE2 3.52Å; T77-Y91 HydrophobicContact CG2-CE2 4.3Å; T77-Y91 PolarHBondContact OG1-OH 3.16Å; V78-Y91 WeakPolarHBondContact O-CA 3.47Å; V78-Y91 WeakPolarHBondContact O-CD2 3.45Å; V79-Y91 HydrophobicContact CG1-CD2 3.98Å; V79-Y91 HydrophobicContact CG1-CG 4.37Å; Y91-Y99 CarbonylContact O-C 3.54Å; Y91-Y99 WeakPolarHBondContact O-CA 3.37Å; Y91-I100 HydrophobicContact CD1-CB 3.51Å; Y91-I100 HydrophobicContact CD1-CD1 4Å; Y91-I100 HydrophobicContact CD1-CG1 4.35Å; Y91-I100 HydrophobicContact CD1-CG2 3.5Å; Y91-I100 HydrophobicContact CD2-CD1 4.2Å; Y91-I100 HydrophobicContact CE1-CB 3.85Å; Y91-I100 HydrophobicContact CE1-CD1 3.64Å; Y91-I100 HydrophobicContact CE1-CG1 4.36Å; Y91-I100 HydrophobicContact CE1-CG2 3.52Å; Y91-I100 HydrophobicContact CE2-CD1 3.85Å; Y91-I100 HydrophobicContact CG-CB 3.99Å; Y91-I100 HydrophobicContact CG-CD1 4.23Å; Y91-I100 HydrophobicContact CG-CG2 4.46Å; Y91-I100 PolarHBondContact O-N 3.02Å; Y91-R101 WeakPolarHBondContact CB-O 3.48Å; Y91-R101 HydrophobicContact CD1-CB 4.18Å; Y91-R101 PolarHBondContact N-O 3.25Å; Y91-R101 PolarHBondContact O-N 2.64Å; Y91-L136 HydrophobicContact CD1-CD2 4.16Å; Y91-L136 HydrophobicContact CD2-CD2 4.19Å; Y91-L136 HydrophobicContact CE1-CB 4.28Å; Y91-L136 HydrophobicContact CE1-CD2 4.32Å; Y91-L136 HydrophobicContact CE2-CD2 4.36Å; Y91-L136 HydrophobicContact CG-CD2 4.13Å
92	L	98.3	Very high	96.9	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.1	-168.6	176	65.1	0	0	0	111.3	I45 L59 T77 V78 Y80 L94 Y99	I45-L92 HydrophobicContact CD1-CD2 4.08Å; L59-L92 HydrophobicContact CD1-CD2 3.92Å; T77-L92 VanDerWaalsContact CA-O 3.29Å; T77-L92 WeakPolarHBondContact CA-O 3.42Å; V78-L92 HydrophobicContact CG2-CB 4.04Å; V78-L92 HydrophobicContact CG2-CD2 4.39Å; V78-L92 PolarHBondContact N-O 2.85Å; V78-L92 PolarHBondContact O-N 2.98Å; Y80-L92 HydrophobicContact CE1-CB 4.3Å; Y80-L92 HydrophobicContact CE1-CD2 4.1Å; L92-L94 HydrophobicContact CD2-CD2 4.22Å; L92-Y99 HydrophobicContact CD1-CD1 4.23Å; L92-Y99 HydrophobicContact CD1-CE1 4.22Å
93	S	97.2	Very high	96.9	Very high	9 Å²	9	55.8 Å²	55.8	6%	0.063	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	115.6	161.4	171.1	0	0	0	0	109	H95 D96 N97 K98	S93-H95 VanDerWaalsContact C-N 3.33Å; S93-D96 PolarHBondContact OG-N 2.77Å; S93-D96 VanDerWaalsContact OG-N 3.16Å; S93-D96 PolarHBondContact OG-OD2 3.45Å; S93-N97 VanDerWaalsContact O-CA 3.22Å; S93-N97 WeakPolarHBondContact O-CA 3.03Å; S93-N97 PolarHBondContact O-N 3.43Å; S93-K98 PolarHBondContact N-O 2.91Å; S93-K98 PolarHBondContact O-N 3.04Å
94	L	95.7	Very high	97	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-31.3	177.3	-61.6	176.7	0	0	0	111.9	I37 I45 L47 R57 L59 Y71 N76 V78 L92	I37-L94 HydrophobicContact CD1-CD1 3.95Å; I37-L94 HydrophobicContact CD1-CD2 4.06Å; I37-L94 HydrophobicContact CG1-CD1 4.46Å; I45-L94 HydrophobicContact CG2-CD2 4.27Å; L47-L94 HydrophobicContact CD1-CD1 4.34Å; R57-L94 PolarHBondContact NH1-O 3.48Å; L59-L94 HydrophobicContact CD1-CD2 3.73Å; Y71-L94 HydrophobicContact CE1-CD1 4.08Å; N76-L94 HydrophobicContact CB-CB 4.41Å; N76-L94 VanDerWaalsContact O-CB 3.27Å; N76-L94 WeakPolarHBondContact O-CB 3.19Å; N76-L94 PolarHBondContact O-N 3.12Å; V78-L94 HydrophobicContact CG1-CD1 3.77Å; V78-L94 HydrophobicContact CG1-CD2 4.32Å; V78-L94 HydrophobicContact CG1-CG 4.13Å; V78-L94 HydrophobicContact CG2-CD2 3.78Å; V78-L94 HydrophobicContact CG2-CG 4.2Å; L92-L94 HydrophobicContact CD2-CD2 4.22Å
95	H	92.6	Very high	97	Very high	123 Å²	123	54 Å²	54	57%	0.569	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-48	178.5	177.2	-90.2	0	0	0	111.2	R57 N76 S93	R57-H95 PolarHBondContact NH1-O 2.89Å; N76-H95 HydrophobicContact CB-CB 4.4Å; S93-H95 VanDerWaalsContact C-N 3.33Å
96	D	92.9	Very high	97.1	Very high	85 Å²	85	49.3 Å²	49.3	46%	0.455	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-11.1	-174.8	-51.1	-50.8	0	0	0	113	S93 K98	S93-D96 PolarHBondContact OG-N 2.77Å; S93-D96 VanDerWaalsContact OG-N 3.16Å; S93-D96 PolarHBondContact OG-OD2 3.45Å; D96-K98 HydrophobicContact CB-CB 4.15Å; D96-K98 HydrophobicContact CB-CD 4.01Å; D96-K98 HydrophobicContact CB-CG 3.97Å; D96-K98 PolarHBondContact O-N 2.98Å
97	N	93.9	Very high	97.1	Very high	78 Å²	78	51.4 Å²	51.4	42%	0.417	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	44.2	-167.8	-169.8	32.7	0	0	0	112	L59 S93	L59-N97 HydrophobicContact CD2-CB 4.05Å; S93-N97 VanDerWaalsContact O-CA 3.22Å; S93-N97 WeakPolarHBondContact O-CA 3.03Å; S93-N97 PolarHBondContact O-N 3.43Å
98	K	96.3	Very high	97.2	Very high	140 Å²	140	55.3 Å²	55.3	61%	0.609	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.8	-179	-72.7	-179.5	-177.1	174.8	0	110.6	S93 D96 I100	S93-K98 PolarHBondContact N-O 2.91Å; S93-K98 PolarHBondContact O-N 3.04Å; D96-K98 HydrophobicContact CB-CB 4.15Å; D96-K98 HydrophobicContact CB-CD 4.01Å; D96-K98 HydrophobicContact CB-CG 3.97Å; D96-K98 PolarHBondContact O-N 2.98Å; K98-I100 PolarHBondContact O-N 2.78Å
99	Y	97.3	Very high	97.1	Very high	78 Å²	78	59.2 Å²	59.2	31%	0.306	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	118.6	169.4	-66.5	-74.5	0	0	0	109.6	Y80 R90 Y91 L92 Y102	Y80-Y99 HydrophobicContact CE1-CE1 4.01Å; Y80-Y99 WeakPolarHBondContact OH-CE1 3.4Å; Y80-Y99 PolarHBondContact OH-OH 3.21Å; R90-Y99 HydrophobicContact CB-CD1 4.21Å; R90-Y99 HydrophobicContact CB-CE1 4.1Å; Y91-Y99 CarbonylContact O-C 3.54Å; Y91-Y99 WeakPolarHBondContact O-CA 3.37Å; L92-Y99 HydrophobicContact CD1-CD1 4.23Å; L92-Y99 HydrophobicContact CD1-CE1 4.22Å; Y99-Y102 WeakPolarHBondContact CB-OH 3.15Å; Y99-Y102 AromaticContact CD1-CE1 3.78Å; Y99-Y102 HydrophobicContact CD1-CE1 3.78Å; Y99-Y102 HydrophobicContact CD2-CE1 4.35Å; Y99-Y102 AromaticContact CG-CE1 3.67Å; Y99-Y102 HydrophobicContact CG-CE1 3.67Å; Y99-Y102 AromaticContact CG-CZ 3.89Å
100	I	97.5	Very high	97.1	Very high	84 Å²	84	59.2 Å²	59.2	43%	0.431	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-43.1	178.5	-58.7	166.2	0	0	0	109.2	T77 Y91 K98	T77-I100 HydrophobicContact CG2-CD1 3.93Å; Y91-I100 HydrophobicContact CD1-CB 3.51Å; Y91-I100 HydrophobicContact CD1-CD1 4Å; Y91-I100 HydrophobicContact CD1-CG1 4.35Å; Y91-I100 HydrophobicContact CD1-CG2 3.5Å; Y91-I100 HydrophobicContact CD2-CD1 4.2Å; Y91-I100 HydrophobicContact CE1-CB 3.85Å; Y91-I100 HydrophobicContact CE1-CD1 3.64Å; Y91-I100 HydrophobicContact CE1-CG1 4.36Å; Y91-I100 HydrophobicContact CE1-CG2 3.52Å; Y91-I100 HydrophobicContact CE2-CD1 3.85Å; Y91-I100 HydrophobicContact CG-CB 3.99Å; Y91-I100 HydrophobicContact CG-CD1 4.23Å; Y91-I100 HydrophobicContact CG-CG2 4.46Å; Y91-I100 PolarHBondContact O-N 3.02Å; K98-I100 PolarHBondContact O-N 2.78Å
101	R	97.9	Very high	97	Very high	76 Å²	76	60.1 Å²	60.1	29%	0.287	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	160.7	-177.3	-167.9	170.8	-66.7	-73.6	4.3	111.9	Y91 F103 L136 R137 P139	Y91-R101 WeakPolarHBondContact CB-O 3.48Å; Y91-R101 HydrophobicContact CD1-CB 4.18Å; Y91-R101 PolarHBondContact N-O 3.25Å; Y91-R101 PolarHBondContact O-N 2.64Å; R101-F103 HydrophobicContact CB-CZ 4.25Å; R101-F103 HydrophobicContact CG-CE1 4.07Å; R101-F103 HydrophobicContact CG-CZ 4.11Å; R101-L136 WeakPolarHBondContact CD-O 3.38Å; R101-L136 PolarHBondContact NE-O 3.46Å; R101-L136 VanDerWaalsContact NE-O 3.12Å; R101-R137 PolarHBondContact NH2-O 2.95Å; R101-R137 VanDerWaalsContact NH2-O 3.13Å; R101-P139 HydrophobicContact CG-CB 4.4Å; R101-P139 VanDerWaalsContact NH1-CD 3.31Å
102	Y	98.3	Very high	96.9	Very high	103 Å²	103	59.6 Å²	59.6	40%	0.404	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.3	171	-47.9	-75.9	0	0	0	109.2	R90 Y99 P104	R90-Y102 HydrophobicContact CB-CD1 4.46Å; R90-Y102 HydrophobicContact CG-CD1 4.11Å; Y99-Y102 WeakPolarHBondContact CB-OH 3.15Å; Y99-Y102 AromaticContact CD1-CE1 3.78Å; Y99-Y102 HydrophobicContact CD1-CE1 3.78Å; Y99-Y102 HydrophobicContact CD2-CE1 4.35Å; Y99-Y102 AromaticContact CG-CE1 3.67Å; Y99-Y102 HydrophobicContact CG-CE1 3.67Å; Y99-Y102 AromaticContact CG-CZ 3.89Å; Y102-P104 WeakPolarHBondContact O-CD 3.38Å
103	F	98.7	Very high	96.9	Very high	1 Å²	1	59.8 Å²	59.8	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	82.2	178.4	-50.7	-82.5	0	0	0	109	V79 I89 R101 F122 W134 L136 S138	V79-F103 HydrophobicContact CG1-CE2 4.28Å; I89-F103 HydrophobicContact CB-CB 4.22Å; I89-F103 HydrophobicContact CB-CD2 4.22Å; I89-F103 HydrophobicContact CG2-CD2 4.04Å; I89-F103 PolarHBondContact N-O 3.1Å; I89-F103 WeakPolarHBondContact O-CD2 3.22Å; I89-F103 PolarHBondContact O-N 3.42Å; R101-F103 HydrophobicContact CB-CZ 4.25Å; R101-F103 HydrophobicContact CG-CE1 4.07Å; R101-F103 HydrophobicContact CG-CZ 4.11Å; F103-F122 HydrophobicContact CB-CZ 4.37Å; F103-F122 HydrophobicContact CD1-CE1 4.25Å; F103-F122 HydrophobicContact CD1-CZ 4.07Å; F103-F122 HydrophobicContact CD2-CE1 4.02Å; F103-F122 AromaticContact CD2-CZ 3.51Å; F103-F122 HydrophobicContact CD2-CZ 3.51Å; F103-F122 AromaticContact CE1-CE1 3.94Å; F103-F122 HydrophobicContact CE1-CE1 3.94Å; F103-F122 HydrophobicContact CE1-CZ 4.21Å; F103-F122 AromaticContact CE2-CE1 3.65Å; F103-F122 HydrophobicContact CE2-CE1 3.65Å; F103-F122 AromaticContact CE2-CZ 3.63Å; F103-F122 HydrophobicContact CE2-CZ 3.63Å; F103-F122 HydrophobicContact CG-CE1 4.3Å; F103-F122 AromaticContact CG-CZ 3.73Å; F103-F122 HydrophobicContact CG-CZ 3.73Å; F103-F122 AromaticContact CZ-CE1 3.66Å; F103-F122 HydrophobicContact CZ-CE1 3.66Å; F103-F122 HydrophobicContact CZ-CZ 4.03Å; F103-W134 HydrophobicContact CB-CD2 4.13Å; F103-W134 HydrophobicContact CB-CE3 3.82Å; F103-W134 HydrophobicContact CB-CH2 4.16Å; F103-W134 HydrophobicContact CB-CZ2 4.44Å; F103-W134 HydrophobicContact CB-CZ3 3.85Å; F103-W134 HydrophobicContact CD1-CE3 4.04Å; F103-W134 HydrophobicContact CG-CE3 4.3Å; F103-L136 HydrophobicContact CE2-CD2 4.25Å; F103-L136 HydrophobicContact CZ-CD2 3.88Å; F103-S138 VanDerWaalsContact CE1-O 3.26Å; F103-S138 WeakPolarHBondContact CE1-O 3.35Å
104	P	97.9	Very high	97	Very high	76 Å²	76	60.4 Å²	60.4	49%	0.494	30%	0.304	S	S	.	.			trans	-75.3	154.5	178.5	32.8	-35.3	0	0	0	110.7	Y102 W134	Y102-P104 WeakPolarHBondContact O-CD 3.38Å; P104-W134 WeakPolarHBondContact O-CH2 3.3Å
105	G	97.2	Very high	97.1	Very high	36 Å²	36	61.2 Å²	61.2	37%	0.371	31%	0.308	S	S	.	.			trans	142.8	-26.8	166.7	0	0	0	0	0	114.6	R132	G105-R132 VanDerWaalsContact C-CZ 3.45Å; G105-R132 PolarHBondContact O-NH2 3.39Å
106	H	98.3	Very high	97.3	Very high	14 Å²	14	55.4 Å²	55.4	7%	0.065	28%	0.281	C	S	.	.			trans	-64.6	137.2	166.4	-79.5	-52.8	0	0	0	110.1	D87 V110 S124 S126 D128 T130	D87-H106 HydrophobicContact CB-CB 4.12Å; H106-V110 HydrophobicContact CB-CG2 4.25Å; H106-S124 PolarHBondContact NE2-OG 3.26Å; H106-S126 WeakPolarHBondContact CE1-CB 3.31Å; H106-S126 WeakPolarHBondContact ND1-CB 3.41Å; H106-D128 VanDerWaalsContact CA-OD2 3.24Å; H106-D128 WeakPolarHBondContact CA-OD2 3.2Å; H106-D128 IonicContact CE1-OD2 2.74Å; H106-D128 IonicContact CG-OD2 2.89Å; H106-D128 IonicContact ND1-OD1 2.75Å; H106-D128 IonicContact ND1-OD2 2.83Å; H106-D128 PolarHBondContact ND1-OD2 3.35Å; H106-T130 PolarHBondContact CE1-OG1 2.95Å; H106-T130 PolarHBondContact ND1-OG1 2.96Å
107	S	97.8	Very high	97.4	Very high	89 Å²	89	54.2 Å²	54.2	62%	0.622	28%	0.278	S	S	*	.			trans	-112	3.7	-177.4	72.9	0	0	0	0	113.5	D128	S107-D128 PolarHBondContact N-OD2 3.46Å; S107-D128 VanDerWaalsContact N-OD2 3.11Å; S107-D128 WeakPolarHBondContact OG-CB 3.39Å
108	K	98.1	Very high	97.5	Very high	116 Å²	116	54.7 Å²	54.7	50%	0.504	28%	0.284	S	S	.	.	S	Bend	trans	-148.7	169.4	171	-60	-173.3	177.1	179.6	0	109.2	D87 V110 S126 L127 D128	D87-K108 VanDerWaalsContact CB-O 3.31Å; D87-K108 WeakPolarHBondContact CB-O 3.43Å; D87-K108 VanDerWaalsContact CG-CA 3.5Å; D87-K108 VanDerWaalsContact CG-O 3.25Å; D87-K108 VanDerWaalsContact OD2-C 3.24Å; D87-K108 WeakPolarHBondContact OD2-CA 3.24Å; D87-K108 PolarHBondContact OD2-N 2.74Å; K108-V110 PolarHBondContact O-N 2.81Å; K108-S126 PolarHBondContact O-OG 2.92Å; K108-L127 HydrophobicContact CB-CB 3.86Å; K108-L127 HydrophobicContact CD-CB 4.22Å; K108-L127 WeakPolarHBondContact CD-O 3.32Å; K108-D128 HydrophobicContact CB-CB 4.1Å; K108-D128 HydrophobicContact CG-CB 4.18Å
109	R	97.5	Very high	97.4	Very high	97 Å²	97	51 Å²	51	37%	0.366	27%	0.27	S	S	.	.			trans	-46.2	127.7	-176.5	-170.8	173.4	-175.6	164.5	3.1	112.8	D67 D87 S126 L127	D67-R109 IonicContact OD1-CZ 3.74Å; D67-R109 IonicContact OD1-NH2 3.71Å; D67-R109 PolarHBondContact OD1-NH2 3.35Å; D67-R109 IonicContact OD2-CZ 3.52Å; D67-R109 IonicContact OD2-NE 3.99Å; D67-R109 PolarHBondContact OD2-NE 3.01Å; D67-R109 IonicContact OD2-NH2 2.65Å; D67-R109 PolarHBondContact OD2-NH2 3.15Å; D87-R109 WeakPolarHBondContact OD1-CA 3.37Å; D87-R109 PolarHBondContact OD1-N 2.97Å; R109-S126 WeakPolarHBondContact O-CA 3.47Å; R109-S126 PolarHBondContact O-OG 3.29Å; R109-L127 HydrophobicContact CB-CD1 4.07Å; R109-L127 HydrophobicContact CB-CG 4.47Å; R109-L127 PolarHBondContact O-N 3.01Å
110	V	98.5	Very high	97.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.3	169.1	-173.2	0	0	0	0	108.5	L68 D87 I89 H106 K108 A112 G125	L68-V110 HydrophobicContact CD1-CG1 4.13Å; D87-V110 WeakPolarHBondContact O-CG2 3.37Å; I89-V110 HydrophobicContact CD1-CG1 4.3Å; I89-V110 HydrophobicContact CD1-CG2 4.28Å; I89-V110 HydrophobicContact CG1-CG2 4.08Å; H106-V110 HydrophobicContact CB-CG2 4.25Å; K108-V110 PolarHBondContact O-N 2.81Å; V110-A112 WeakPolarHBondContact CG1-O 3.34Å; V110-G125 CarbonylContact C-O 3.56Å; V110-G125 WeakPolarHBondContact CG1-O 3.46Å
111	V	96.8	Very high	97.4	Very high	30 Å²	30	46.5 Å²	46.5	18%	0.182	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-9.4	-174.6	-66.5	0	0	0	0	113.3	G125 L127 K150 P151	V111-G125 WeakPolarHBondContact CG2-O 3.06Å; V111-G125 PolarHBondContact N-O 2.61Å; V111-L127 HydrophobicContact CG1-CD1 4.34Å; V111-L127 HydrophobicContact CG1-CD2 3.84Å; V111-L127 HydrophobicContact CG1-CG 3.7Å; V111-K150 HydrophobicContact CG2-CG 4.07Å; V111-P151 WeakPolarHBondContact CG2-O 3.17Å
112	A	97.3	Very high	97.5	Very high	11 Å²	11	42.9 Å²	42.9	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	137.9	171.2	0	0	0	0	0	109.2	V110 S124 G125	V110-A112 WeakPolarHBondContact CG1-O 3.34Å; A112-S124 CarbonylContact O-C 3.59Å; A112-S124 WeakPolarHBondContact O-CA 3.19Å; A112-G125 PolarHBondContact N-O 2.88Å; A112-G125 VanDerWaalsContact N-O 3.1Å; A112-G125 PolarHBondContact O-N 3.21Å
113	L	98.3	Very high	97.5	Very high	6 Å²	6	38 Å²	38	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	121.9	177.7	-173.5	66.6	0	0	0	108.4	L68 R70 V79 I89 F122	L68-L113 HydrophobicContact CB-CB 3.91Å; L68-L113 HydrophobicContact CB-CD2 3.99Å; L68-L113 HydrophobicContact CD1-CB 3.79Å; R70-L113 HydrophobicContact CG-CD2 4.31Å; R70-L113 HydrophobicContact CG-CG 4.19Å; R70-L113 PolarHBondContact NE-O 3.01Å; V79-L113 HydrophobicContact CG2-CD2 4.25Å; I89-L113 HydrophobicContact CD1-CD1 3.98Å; I89-L113 HydrophobicContact CG2-CD1 4.34Å; L113-F122 HydrophobicContact CD1-CD2 3.83Å; L113-F122 HydrophobicContact CD1-CE2 4.07Å
114	S	97.7	Very high	97.5	Very high	21 Å²	21	38 Å²	38	15%	0.147	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	126.6	178.7	-171.5	0	0	0	0	109.5	F122 I123	S114-F122 WeakPolarHBondContact O-CA 3.47Å; S114-F122 WeakPolarHBondContact O-CB 3.45Å; S114-I123 PolarHBondContact N-O 3.36Å; S114-I123 PolarHBondContact O-N 3.34Å
115	M	98.1	Very high	97.4	Very high	21 Å²	21	34.3 Å²	34.3	10%	0.103	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	148.7	164.5	-74.9	-64.5	-48.6	0	0	109.6	R70 Y71 T72 V79 T121 F122 L136	R70-M115 HydrophobicContact CB-CG 3.92Å; Y71-M115 VanDerWaalsContact O-CG 3.26Å; Y71-M115 WeakPolarHBondContact O-CG 3.34Å; T72-M115 HydrophobicContact CG2-CE 4.43Å; T72-M115 HydrophobicContact CG2-SD 4.16Å; V79-M115 HydrophobicContact CG2-CG 4.18Å; V79-M115 HydrophobicContact CG2-SD 3.71Å; M115-T121 WeakPolarHBondContact CE-O 3.47Å; M115-F122 HydrophobicContact CE-CB 4.27Å; M115-F122 HydrophobicContact CG-CB 4.46Å; M115-F122 HydrophobicContact SD-CB 3.49Å; M115-F122 WeakPolarHBondContact SD-CB 3.48Å; M115-F122 HydrophobicContact SD-CD1 4.22Å; M115-F122 HydrophobicContact SD-CG 4.08Å; M115-L136 HydrophobicContact CE-CD1 3.9Å; M115-L136 HydrophobicContact CE-CG 4.47Å
116	S	97.4	Very high	97.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	18%	0.179	C	C	.	.			trans	-61.2	145.2	162	171.5	0	0	0	0	109.3	H73 V118 D119 T121	H73-S116 PolarHBondContact CE1-O 2.9Å; H73-S116 PolarHBondContact NE2-O 3.15Å; S116-V118 VanDerWaalsContact C-N 3.32Å; S116-V118 WeakPolarHBondContact OG-CG2 3.47Å; S116-V118 PolarHBondContact OG-N 2.9Å; S116-D119 WeakPolarHBondContact CB-O 3.39Å; S116-D119 WeakPolarHBondContact CB-OD1 3.33Å; S116-D119 PolarHBondContact OG-N 2.85Å; S116-D119 PolarHBondContact OG-OD1 2.83Å; S116-T121 WeakPolarHBondContact CB-O 3.5Å; S116-T121 WeakPolarHBondContact CB-OG1 3.38Å; S116-T121 PolarHBondContact N-O 3.13Å
117	P	95.7	Very high	97.4	Very high	61 Å²	61	35.2 Å²	35.2	40%	0.396	19%	0.193	S	C	.	.	S	Bend	trans	-79.6	-14.2	175.7	28.9	-31.5	0	0	0	113.4	H73 D156 P157	H73-P117 PolarHBondContact CE1-O 3.47Å; P117-D156 WeakPolarHBondContact CG-O 3.32Å; P117-P157 WeakPolarHBondContact CG-O 2.95Å
118	V	94.8	Very high	97.4	Very high	88 Å²	88	32.2 Å²	32.2	53%	0.533	17%	0.17	S	C	.	.	S	Bend	trans	-118.4	-20.2	-168.5	-65	0	0	0	0	114.6	S116 E158	S116-V118 VanDerWaalsContact C-N 3.32Å; S116-V118 WeakPolarHBondContact OG-CG2 3.47Å; S116-V118 PolarHBondContact OG-N 2.9Å; V118-E158 WeakPolarHBondContact CG1-O 3.41Å
119	D	95.2	Very high	97.3	Very high	61 Å²	61	31.3 Å²	31.3	33%	0.326	17%	0.166	S	C	.	.	S	Bend	trans	-150.8	173.1	-174.5	66.7	16.4	0	0	0	113.6	H73 S116 T121	H73-D119 VanDerWaalsContact CD2-C 3.44Å; H73-D119 PolarHBondContact CD2-O 3.03Å; H73-D119 PolarHBondContact NE2-O 3.42Å; S116-D119 WeakPolarHBondContact CB-O 3.39Å; S116-D119 WeakPolarHBondContact CB-OD1 3.33Å; S116-D119 PolarHBondContact OG-N 2.85Å; S116-D119 PolarHBondContact OG-OD1 2.83Å; D119-T121 PolarHBondContact O-N 2.81Å; D119-T121 WeakPolarHBondContact OD1-CB 3.42Å; D119-T121 PolarHBondContact OD1-N 2.64Å; D119-T121 PolarHBondContact OD1-OG1 3.47Å
120	D	97.1	Very high	97.3	Very high	40 Å²	40	27 Å²	27	21%	0.214	15%	0.151	C	C	.	.	S	Bend	trans	-74.4	23.9	-176.4	-63.9	-35.6	0	0	0	113.9	H73 L136 R137	H73-D120 IonicContact CD2-OD1 3.96Å; D120-L136 HydrophobicContact CB-CB 4.2Å; D120-L136 HydrophobicContact CB-CD1 4.03Å; D120-L136 HydrophobicContact CB-CG 4.36Å; D120-L136 VanDerWaalsContact O-CG 3.25Å; D120-L136 WeakPolarHBondContact O-CG 3.36Å; D120-L136 PolarHBondContact O-N 2.92Å; D120-R137 IonicContact OD2-CZ 3.44Å; D120-R137 IonicContact OD2-NE 3.25Å; D120-R137 PolarHBondContact OD2-NE 3.05Å; D120-R137 IonicContact OD2-NH2 2.77Å; D120-R137 PolarHBondContact OD2-NH2 2.85Å
121	T	97.6	Very high	97.3	Very high	29 Å²	29	27.1 Å²	27.1	18%	0.178	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	157	174.4	72.6	0	0	0	0	111.6	M115 S116 D119 W134 D135	M115-T121 WeakPolarHBondContact CE-O 3.47Å; S116-T121 WeakPolarHBondContact CB-O 3.5Å; S116-T121 WeakPolarHBondContact CB-OG1 3.38Å; S116-T121 PolarHBondContact N-O 3.13Å; D119-T121 PolarHBondContact O-N 2.81Å; D119-T121 WeakPolarHBondContact OD1-CB 3.42Å; D119-T121 PolarHBondContact OD1-N 2.64Å; D119-T121 PolarHBondContact OD1-OG1 3.47Å; T121-W134 CarbonylContact C-O 3.54Å; T121-W134 WeakPolarHBondContact CA-O 3.5Å; T121-W134 VanDerWaalsContact CB-O 3.27Å; T121-W134 WeakPolarHBondContact CB-O 3.26Å; T121-D135 HydrophobicContact CG2-CB 4.46Å
122	F	98.5	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	160.4	174.2	71.1	-88	0	0	0	111.8	V79 I89 F103 L113 S114 M115 W134 L136	V79-F122 HydrophobicContact CG1-CE1 4.39Å; I89-F122 HydrophobicContact CD1-CE2 3.95Å; I89-F122 HydrophobicContact CG2-CE2 3.94Å; I89-F122 HydrophobicContact CG2-CZ 4.1Å; F103-F122 HydrophobicContact CB-CZ 4.37Å; F103-F122 HydrophobicContact CD1-CE1 4.25Å; F103-F122 HydrophobicContact CD1-CZ 4.07Å; F103-F122 HydrophobicContact CD2-CE1 4.02Å; F103-F122 AromaticContact CD2-CZ 3.51Å; F103-F122 HydrophobicContact CD2-CZ 3.51Å; F103-F122 AromaticContact CE1-CE1 3.94Å; F103-F122 HydrophobicContact CE1-CE1 3.94Å; F103-F122 HydrophobicContact CE1-CZ 4.21Å; F103-F122 AromaticContact CE2-CE1 3.65Å; F103-F122 HydrophobicContact CE2-CE1 3.65Å; F103-F122 AromaticContact CE2-CZ 3.63Å; F103-F122 HydrophobicContact CE2-CZ 3.63Å; F103-F122 HydrophobicContact CG-CE1 4.3Å; F103-F122 AromaticContact CG-CZ 3.73Å; F103-F122 HydrophobicContact CG-CZ 3.73Å; F103-F122 AromaticContact CZ-CE1 3.66Å; F103-F122 HydrophobicContact CZ-CE1 3.66Å; F103-F122 HydrophobicContact CZ-CZ 4.03Å; L113-F122 HydrophobicContact CD1-CD2 3.83Å; L113-F122 HydrophobicContact CD1-CE2 4.07Å; S114-F122 WeakPolarHBondContact O-CA 3.47Å; S114-F122 WeakPolarHBondContact O-CB 3.45Å; M115-F122 HydrophobicContact CE-CB 4.27Å; M115-F122 HydrophobicContact CG-CB 4.46Å; M115-F122 HydrophobicContact SD-CB 3.49Å; M115-F122 WeakPolarHBondContact SD-CB 3.48Å; M115-F122 HydrophobicContact SD-CD1 4.22Å; M115-F122 HydrophobicContact SD-CG 4.08Å; F122-W134 HydrophobicContact CD1-CB 3.68Å; F122-W134 HydrophobicContact CD2-CB 4.04Å; F122-W134 AromaticContact CD2-CD1 3.55Å; F122-W134 HydrophobicContact CD2-CG 4.08Å; F122-W134 HydrophobicContact CE1-CB 3.27Å; F122-W134 AromaticContact CE1-CG 3.97Å; F122-W134 HydrophobicContact CE1-CG 3.97Å; F122-W134 HydrophobicContact CE2-CB 3.67Å; F122-W134 AromaticContact CE2-CD1 3.12Å; F122-W134 HydrophobicContact CE2-CD2 4.37Å; F122-W134 AromaticContact CE2-CG 3.46Å; F122-W134 HydrophobicContact CE2-CG 3.46Å; F122-W134 VanDerWaalsContact CE2-CG 3.46Å; F122-W134 AromaticContact CE2-NE1 3.8Å; F122-W134 HydrophobicContact CG-CB 4.03Å; F122-W134 HydrophobicContact CZ-CB 3.25Å; F122-W134 AromaticContact CZ-CD1 3.6Å; F122-W134 HydrophobicContact CZ-CD2 4.2Å; F122-W134 AromaticContact CZ-CG 3.39Å; F122-W134 HydrophobicContact CZ-CG 3.39Å; F122-W134 PolarHBondContact N-O 2.82Å; F122-W134 PolarHBondContact O-N 2.98Å; F122-L136 HydrophobicContact CD1-CD2 3.9Å; F122-L136 HydrophobicContact CD1-CG 4.33Å; F122-L136 HydrophobicContact CE1-CD2 3.82Å
123	I	98.3	Very high	97.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141	-179	-169.5	170.3	0	0	0	109.7	S114 I131 R132 L133 C153 F155 F162	S114-I123 PolarHBondContact N-O 3.36Å; S114-I123 PolarHBondContact O-N 3.34Å; I123-I131 HydrophobicContact CD1-CG2 3.55Å; I123-I131 HydrophobicContact CG1-CG2 3.6Å; I123-R132 WeakPolarHBondContact CA-O 3.33Å; I123-L133 HydrophobicContact CB-CD2 3.96Å; I123-L133 HydrophobicContact CD1-CD2 3.86Å; I123-L133 HydrophobicContact CG1-CD2 3.82Å; I123-C153 HydrophobicContact CD1-CB 3.96Å; I123-C153 HydrophobicContact CG1-CB 4.44Å; I123-F155 HydrophobicContact CB-CD2 4.44Å; I123-F155 HydrophobicContact CB-CE2 3.66Å; I123-F155 HydrophobicContact CB-CZ 3.91Å; I123-F155 HydrophobicContact CG2-CD2 3.71Å; I123-F155 HydrophobicContact CG2-CE2 3.4Å; I123-F155 HydrophobicContact CG2-CZ 4.08Å; I123-F162 HydrophobicContact CD1-CB 4.09Å; I123-F162 HydrophobicContact CD1-CD1 4.4Å; I123-F162 HydrophobicContact CD1-CD2 3.53Å; I123-F162 HydrophobicContact CD1-CE2 4.02Å; I123-F162 HydrophobicContact CD1-CG 3.75Å
124	S	98.5	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.4	172.4	62.5	0	0	0	0	111.8	I89 H106 A112 I131 R132 W134	I89-S124 VanDerWaalsContact CD1-CB 3.46Å; I89-S124 WeakPolarHBondContact CD1-OG 3.44Å; H106-S124 PolarHBondContact NE2-OG 3.26Å; A112-S124 CarbonylContact O-C 3.59Å; A112-S124 WeakPolarHBondContact O-CA 3.19Å; S124-I131 CarbonylContact O-C 3.52Å; S124-I131 VanDerWaalsContact O-CA 3.25Å; S124-I131 WeakPolarHBondContact O-CA 3.43Å; S124-R132 PolarHBondContact N-O 3.42Å; S124-R132 PolarHBondContact O-N 3.01Å; S124-W134 PolarHBondContact OG-NE1 3.24Å
125	G	97.7	Very high	97.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.3	171.6	0	0	0	0	0	110.3	V110 V111 A112 T130	V110-G125 CarbonylContact C-O 3.56Å; V110-G125 WeakPolarHBondContact CG1-O 3.46Å; V111-G125 WeakPolarHBondContact CG2-O 3.06Å; V111-G125 PolarHBondContact N-O 2.61Å; A112-G125 PolarHBondContact N-O 2.88Å; A112-G125 VanDerWaalsContact N-O 3.1Å; A112-G125 PolarHBondContact O-N 3.21Å; G125-T130 WeakPolarHBondContact CA-O 3.41Å
126	S	98	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157	-177	165.1	0	0	0	0	113.3	H106 K108 R109 D128 K129 T130 P151	H106-S126 WeakPolarHBondContact CE1-CB 3.31Å; H106-S126 WeakPolarHBondContact ND1-CB 3.41Å; K108-S126 PolarHBondContact O-OG 2.92Å; R109-S126 WeakPolarHBondContact O-CA 3.47Å; R109-S126 PolarHBondContact O-OG 3.29Å; S126-D128 WeakPolarHBondContact CB-OD1 3.48Å; S126-D128 PolarHBondContact O-N 3.25Å; S126-D128 VanDerWaalsContact O-N 3.12Å; S126-D128 PolarHBondContact OG-N 2.84Å; S126-D128 PolarHBondContact OG-OD1 3.02Å; S126-D128 PolarHBondContact OG-OD2 3.25Å; S126-K129 PolarHBondContact O-N 2.83Å; S126-T130 PolarHBondContact N-O 2.86Å; S126-P151 WeakPolarHBondContact O-CD 3.21Å; S126-P151 WeakPolarHBondContact O-CG 3.44Å
127	L	97	Very high	97.4	Very high	69 Å²	69	35.5 Å²	35.5	36%	0.361	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-10.8	168.6	-63.8	-176.6	0	0	0	113.7	K108 R109 V111 K129 K150	K108-L127 HydrophobicContact CB-CB 3.86Å; K108-L127 HydrophobicContact CD-CB 4.22Å; K108-L127 WeakPolarHBondContact CD-O 3.32Å; R109-L127 HydrophobicContact CB-CD1 4.07Å; R109-L127 HydrophobicContact CB-CG 4.47Å; R109-L127 PolarHBondContact O-N 3.01Å; V111-L127 HydrophobicContact CG1-CD1 4.34Å; V111-L127 HydrophobicContact CG1-CD2 3.84Å; V111-L127 HydrophobicContact CG1-CG 3.7Å; L127-K129 PolarHBondContact O-N 2.76Å; L127-K150 HydrophobicContact CD2-CB 4.21Å; L127-K150 HydrophobicContact CD2-CD 3.97Å; L127-K150 HydrophobicContact CD2-CG 3.82Å
128	D	97.6	Very high	97.5	Very high	25 Å²	25	33.7 Å²	33.7	13%	0.134	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	2	168.4	70.2	12.3	0	0	0	113	H106 S107 K108 S126 T130	H106-D128 VanDerWaalsContact CA-OD2 3.24Å; H106-D128 WeakPolarHBondContact CA-OD2 3.2Å; H106-D128 IonicContact CE1-OD2 2.74Å; H106-D128 IonicContact CG-OD2 2.89Å; H106-D128 IonicContact ND1-OD1 2.75Å; H106-D128 IonicContact ND1-OD2 2.83Å; H106-D128 PolarHBondContact ND1-OD2 3.35Å; S107-D128 PolarHBondContact N-OD2 3.46Å; S107-D128 VanDerWaalsContact N-OD2 3.11Å; S107-D128 WeakPolarHBondContact OG-CB 3.39Å; K108-D128 HydrophobicContact CB-CB 4.1Å; K108-D128 HydrophobicContact CG-CB 4.18Å; S126-D128 WeakPolarHBondContact CB-OD1 3.48Å; S126-D128 PolarHBondContact O-N 3.25Å; S126-D128 VanDerWaalsContact O-N 3.12Å; S126-D128 PolarHBondContact OG-N 2.84Å; S126-D128 PolarHBondContact OG-OD1 3.02Å; S126-D128 PolarHBondContact OG-OD2 3.25Å; D128-T130 VanDerWaalsContact C-N 3.3Å; D128-T130 VanDerWaalsContact CG-OG1 3.27Å; D128-T130 WeakPolarHBondContact OD1-CA 3.41Å; D128-T130 VanDerWaalsContact OD1-CB 3.28Å; D128-T130 WeakPolarHBondContact OD1-CB 3.47Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.38Å; D128-T130 PolarHBondContact OD1-N 2.9Å; D128-T130 PolarHBondContact OD1-OG1 3.34Å; D128-T130 PolarHBondContact OD2-OG1 3.04Å
129	K	96.8	Very high	97.6	Very high	97 Å²	97	32 Å²	32	42%	0.422	16%	0.156	S	C	.	.	S	Bend	trans	67.8	28.2	-180	-46.4	-179.8	175.7	-162	0	113	S126 L127 L147 Q148	S126-K129 PolarHBondContact O-N 2.83Å; L127-K129 PolarHBondContact O-N 2.76Å; K129-L147 WeakPolarHBondContact CB-O 3.42Å; K129-L147 PolarHBondContact O-N 2.9Å; K129-Q148 WeakPolarHBondContact CE-O 3.5Å; K129-Q148 PolarHBondContact NZ-O 2.75Å
130	T	97.3	Very high	97.8	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.049	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.9	175.3	72.2	0	0	0	0	112.2	H106 G125 S126 D128 L144 M145	H106-T130 PolarHBondContact CE1-OG1 2.95Å; H106-T130 PolarHBondContact ND1-OG1 2.96Å; G125-T130 WeakPolarHBondContact CA-O 3.41Å; S126-T130 PolarHBondContact N-O 2.86Å; D128-T130 VanDerWaalsContact C-N 3.3Å; D128-T130 VanDerWaalsContact CG-OG1 3.27Å; D128-T130 WeakPolarHBondContact OD1-CA 3.41Å; D128-T130 VanDerWaalsContact OD1-CB 3.28Å; D128-T130 WeakPolarHBondContact OD1-CB 3.47Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.38Å; D128-T130 PolarHBondContact OD1-N 2.9Å; D128-T130 PolarHBondContact OD1-OG1 3.34Å; D128-T130 PolarHBondContact OD2-OG1 3.04Å; T130-L144 HydrophobicContact CG2-CD1 3.89Å; T130-M145 CarbonylContact C-O 3.6Å; T130-M145 WeakPolarHBondContact CA-O 3.46Å
131	I	97.7	Very high	97.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.3	157.1	-72.9	176	0	0	0	107.2	I123 S124 M145 L147 P151 C153 A164	I123-I131 HydrophobicContact CD1-CG2 3.55Å; I123-I131 HydrophobicContact CG1-CG2 3.6Å; S124-I131 CarbonylContact O-C 3.52Å; S124-I131 VanDerWaalsContact O-CA 3.25Å; S124-I131 WeakPolarHBondContact O-CA 3.43Å; I131-M145 HydrophobicContact CB-CB 4.25Å; I131-M145 HydrophobicContact CG2-SD 4.34Å; I131-M145 PolarHBondContact N-O 3.12Å; I131-M145 PolarHBondContact O-N 2.8Å; I131-L147 HydrophobicContact CD1-CD1 3.62Å; I131-L147 HydrophobicContact CG1-CD1 3.72Å; I131-P151 HydrophobicContact CD1-CB 3.99Å; I131-P151 HydrophobicContact CG1-CB 3.68Å; I131-P151 HydrophobicContact CG1-CG 4.23Å; I131-C153 HydrophobicContact CD1-CB 3.81Å; I131-C153 HydrophobicContact CG1-CB 4.44Å; I131-A164 HydrophobicContact CD1-CB 3.47Å; I131-A164 VanDerWaalsContact CD1-CB 3.47Å
132	R	98.2	Very high	97.8	Very high	38 Å²	38	38.2 Å²	38.2	14%	0.143	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.2	178.8	-69.3	-176.9	174.7	-119.2	0.5	110.7	G105 I123 S124 W134 G143 L144	G105-R132 VanDerWaalsContact C-CZ 3.45Å; G105-R132 PolarHBondContact O-NH2 3.39Å; I123-R132 WeakPolarHBondContact CA-O 3.33Å; S124-R132 PolarHBondContact N-O 3.42Å; S124-R132 PolarHBondContact O-N 3.01Å; R132-W134 HydrophobicContact CB-CD2 4.45Å; R132-W134 HydrophobicContact CB-CZ2 3.64Å; R132-W134 HydrophobicContact CG-CZ2 4.08Å; R132-G143 WeakPolarHBondContact CA-O 3.41Å; R132-L144 HydrophobicContact CG-CD1 3.7Å
133	L	98	Very high	97.6	Very high	15 Å²	15	38.5 Å²	38.5	8%	0.079	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.4	170.8	-64	173.4	0	0	0	109.1	I123 Q142 G143 F155 F162 L176 F179	I123-L133 HydrophobicContact CB-CD2 3.96Å; I123-L133 HydrophobicContact CD1-CD2 3.86Å; I123-L133 HydrophobicContact CG1-CD2 3.82Å; L133-Q142 PolarHBondContact O-N 2.89Å; L133-G143 PolarHBondContact N-O 3.07Å; L133-G143 PolarHBondContact O-N 3.48Å; L133-F155 HydrophobicContact CD2-CZ 4.26Å; L133-F162 HydrophobicContact CD1-CE1 4.4Å; L133-L176 HydrophobicContact CD1-CD1 3.73Å; L133-L176 HydrophobicContact CD2-CD1 3.87Å; L133-L176 HydrophobicContact CG-CD1 4.46Å; L133-F179 HydrophobicContact CD1-CD1 3.72Å; L133-F179 HydrophobicContact CD1-CE1 3.58Å; L133-F179 HydrophobicContact CD1-CE2 4.4Å; L133-F179 HydrophobicContact CD1-CG 4.21Å; L133-F179 HydrophobicContact CD1-CZ 3.97Å
134	W	98.5	Very high	97.6	Very high	2 Å²	2	42 Å²	42	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.1	-174.1	-52.2	97.9	0	0	0	110.4	F103 P104 T121 F122 S124 R132 C141	F103-W134 HydrophobicContact CB-CD2 4.13Å; F103-W134 HydrophobicContact CB-CE3 3.82Å; F103-W134 HydrophobicContact CB-CH2 4.16Å; F103-W134 HydrophobicContact CB-CZ2 4.44Å; F103-W134 HydrophobicContact CB-CZ3 3.85Å; F103-W134 HydrophobicContact CD1-CE3 4.04Å; F103-W134 HydrophobicContact CG-CE3 4.3Å; P104-W134 WeakPolarHBondContact O-CH2 3.3Å; T121-W134 CarbonylContact C-O 3.54Å; T121-W134 WeakPolarHBondContact CA-O 3.5Å; T121-W134 VanDerWaalsContact CB-O 3.27Å; T121-W134 WeakPolarHBondContact CB-O 3.26Å; F122-W134 HydrophobicContact CD1-CB 3.68Å; F122-W134 HydrophobicContact CD2-CB 4.04Å; F122-W134 AromaticContact CD2-CD1 3.55Å; F122-W134 HydrophobicContact CD2-CG 4.08Å; F122-W134 HydrophobicContact CE1-CB 3.27Å; F122-W134 AromaticContact CE1-CG 3.97Å; F122-W134 HydrophobicContact CE1-CG 3.97Å; F122-W134 HydrophobicContact CE2-CB 3.67Å; F122-W134 AromaticContact CE2-CD1 3.12Å; F122-W134 HydrophobicContact CE2-CD2 4.37Å; F122-W134 AromaticContact CE2-CG 3.46Å; F122-W134 HydrophobicContact CE2-CG 3.46Å; F122-W134 VanDerWaalsContact CE2-CG 3.46Å; F122-W134 AromaticContact CE2-NE1 3.8Å; F122-W134 HydrophobicContact CG-CB 4.03Å; F122-W134 HydrophobicContact CZ-CB 3.25Å; F122-W134 AromaticContact CZ-CD1 3.6Å; F122-W134 HydrophobicContact CZ-CD2 4.2Å; F122-W134 AromaticContact CZ-CG 3.39Å; F122-W134 HydrophobicContact CZ-CG 3.39Å; F122-W134 PolarHBondContact N-O 2.82Å; F122-W134 PolarHBondContact O-N 2.98Å; S124-W134 PolarHBondContact OG-NE1 3.24Å; R132-W134 HydrophobicContact CB-CD2 4.45Å; R132-W134 HydrophobicContact CB-CZ2 3.64Å; R132-W134 HydrophobicContact CG-CZ2 4.08Å; W134-C141 HydrophobicContact CE3-CB 4.17Å; W134-C141 HydrophobicContact CH2-CB 4.14Å; W134-C141 HydrophobicContact CZ3-CB 3.71Å
135	D	97.8	Very high	97.4	Very high	37 Å²	37	42.8 Å²	42.8	20%	0.198	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.3	170.5	179.2	-25.1	0	0	0	107.1	T121 R137 S138 Q142	T121-D135 HydrophobicContact CG2-CB 4.46Å; D135-R137 PolarHBondContact O-N 3.02Å; D135-R137 WeakPolarHBondContact OD1-CB 3.47Å; D135-R137 WeakPolarHBondContact OD1-CD 3.08Å; D135-R137 VanDerWaalsContact OD1-CG 3.23Å; D135-R137 WeakPolarHBondContact OD1-CG 3.31Å; D135-R137 PolarHBondContact OD1-N 2.8Å; D135-S138 PolarHBondContact O-N 2.95Å; D135-Q142 HydrophobicContact CB-CG 3.94Å
136	L	98.4	Very high	97.3	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.042	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.9	-179.8	-66	174.2	0	0	0	113.2	T72 V79 Y91 R101 F103 M115 D120 F122 S138	T72-L136 HydrophobicContact CG2-CD1 3.77Å; T72-L136 HydrophobicContact CG2-CD2 4.27Å; V79-L136 HydrophobicContact CG1-CD2 3.51Å; Y91-L136 HydrophobicContact CD1-CD2 4.16Å; Y91-L136 HydrophobicContact CD2-CD2 4.19Å; Y91-L136 HydrophobicContact CE1-CB 4.28Å; Y91-L136 HydrophobicContact CE1-CD2 4.32Å; Y91-L136 HydrophobicContact CE2-CD2 4.36Å; Y91-L136 HydrophobicContact CG-CD2 4.13Å; R101-L136 WeakPolarHBondContact CD-O 3.38Å; R101-L136 PolarHBondContact NE-O 3.46Å; R101-L136 VanDerWaalsContact NE-O 3.12Å; F103-L136 HydrophobicContact CE2-CD2 4.25Å; F103-L136 HydrophobicContact CZ-CD2 3.88Å; M115-L136 HydrophobicContact CE-CD1 3.9Å; M115-L136 HydrophobicContact CE-CG 4.47Å; D120-L136 HydrophobicContact CB-CB 4.2Å; D120-L136 HydrophobicContact CB-CD1 4.03Å; D120-L136 HydrophobicContact CB-CG 4.36Å; D120-L136 VanDerWaalsContact O-CG 3.25Å; D120-L136 WeakPolarHBondContact O-CG 3.36Å; D120-L136 PolarHBondContact O-N 2.92Å; F122-L136 HydrophobicContact CD1-CD2 3.9Å; F122-L136 HydrophobicContact CD1-CG 4.33Å; F122-L136 HydrophobicContact CE1-CD2 3.82Å; L136-S138 VanDerWaalsContact C-N 3.33Å
137	R	97.5	Very high	97	Very high	166 Å²	166	50.6 Å²	50.6	63%	0.626	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.5	-178.9	-56	162.6	-171	174.6	3.8	112.5	R101 D120 D135	R101-R137 PolarHBondContact NH2-O 2.95Å; R101-R137 VanDerWaalsContact NH2-O 3.13Å; D120-R137 IonicContact OD2-CZ 3.44Å; D120-R137 IonicContact OD2-NE 3.25Å; D120-R137 PolarHBondContact OD2-NE 3.05Å; D120-R137 IonicContact OD2-NH2 2.77Å; D120-R137 PolarHBondContact OD2-NH2 2.85Å; D135-R137 PolarHBondContact O-N 3.02Å; D135-R137 WeakPolarHBondContact OD1-CB 3.47Å; D135-R137 WeakPolarHBondContact OD1-CD 3.08Å; D135-R137 VanDerWaalsContact OD1-CG 3.23Å; D135-R137 WeakPolarHBondContact OD1-CG 3.31Å; D135-R137 PolarHBondContact OD1-N 2.8Å
138	S	97.8	Very high	96.6	Very high	24 Å²	24	54.1 Å²	54.1	17%	0.168	27%	0.265	C	S	.	.			trans	-130.2	136.9	-173.9	177.9	0	0	0	0	112.2	F103 D135 L136 N140 Q142	F103-S138 VanDerWaalsContact CE1-O 3.26Å; F103-S138 WeakPolarHBondContact CE1-O 3.35Å; D135-S138 PolarHBondContact O-N 2.95Å; L136-S138 VanDerWaalsContact C-N 3.33Å; S138-N140 PolarHBondContact O-N 3.2Å; S138-N140 PolarHBondContact OG-N 2.65Å; S138-Q142 PolarHBondContact OG-NE2 3.06Å
139	P	97	Very high	96.1	Very high	51 Å²	51	53.7 Å²	53.7	33%	0.331	27%	0.266	S	S	.	.	S	Bend	trans	-77.3	-12.7	175	33.6	-31.3	0	0	0	112.3	R101	R101-P139 HydrophobicContact CG-CB 4.4Å; R101-P139 VanDerWaalsContact NH1-CD 3.31Å
140	N	97.9	Very high	95.9	Very high	110 Å²	110	51.8 Å²	51.8	59%	0.588	26%	0.258	S	S	*	.	S	Bend	trans	-87.7	142.4	-174	-61.2	-39.1	0	0	0	110.6	S138 Q142	S138-N140 PolarHBondContact O-N 3.2Å; S138-N140 PolarHBondContact OG-N 2.65Å; N140-Q142 PolarHBondContact O-N 3Å; N140-Q142 PolarHBondContact O-NE2 2.93Å
141	C	97.8	Very high	95.8	Very high	42 Å²	42	51.4 Å²	51.4	28%	0.284	26%	0.256	S	S	.	.			trans	-60.1	125.5	171	-168.6	0	0	0	0	109.7	W134 G143	W134-C141 HydrophobicContact CE3-CB 4.17Å; W134-C141 HydrophobicContact CH2-CB 4.14Å; W134-C141 HydrophobicContact CZ3-CB 3.71Å; C141-G143 PolarHBondContact SG-O 2.9Å
142	Q	96.8	Very high	95.8	Very high	109 Å²	109	51.5 Å²	51.5	51%	0.509	26%	0.256	S	S	.	.	S	Bend	trans	-88.4	-26.5	-178.7	-59.8	-54.4	-57.9	0	0	112.1	L133 D135 S138 N140	L133-Q142 PolarHBondContact O-N 2.89Å; D135-Q142 HydrophobicContact CB-CG 3.94Å; S138-Q142 PolarHBondContact OG-NE2 3.06Å; N140-Q142 PolarHBondContact O-N 3Å; N140-Q142 PolarHBondContact O-NE2 2.93Å
143	G	96.2	Very high	95.7	Very high	7 Å²	7	50 Å²	50	7%	0.072	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	141.5	177.7	0	0	0	0	0	111.1	R132 L133 C141	R132-G143 WeakPolarHBondContact CA-O 3.41Å; L133-G143 PolarHBondContact N-O 3.07Å; L133-G143 PolarHBondContact O-N 3.48Å; C141-G143 PolarHBondContact SG-O 2.9Å
144	L	96.6	Very high	95.7	Very high	72 Å²	72	50 Å²	50	38%	0.377	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126	-178.2	177.3	65.6	0	0	0	109.7	T130 R132	T130-L144 HydrophobicContact CG2-CD1 3.89Å; R132-L144 HydrophobicContact CG-CD1 3.7Å
145	M	95.6	Very high	95.7	Very high	18 Å²	18	50.3 Å²	50.3	9%	0.089	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.9	176.7	-63.2	171.3	68.9	0	0	110.1	T130 I131 F162 Y174 F179	T130-M145 CarbonylContact C-O 3.6Å; T130-M145 WeakPolarHBondContact CA-O 3.46Å; I131-M145 HydrophobicContact CB-CB 4.25Å; I131-M145 HydrophobicContact CG2-SD 4.34Å; I131-M145 PolarHBondContact N-O 3.12Å; I131-M145 PolarHBondContact O-N 2.8Å; M145-F162 HydrophobicContact CE-CE2 4.16Å; M145-F162 HydrophobicContact CE-CZ 4.19Å; M145-F162 HydrophobicContact SD-CE2 3.68Å; M145-F162 HydrophobicContact SD-CZ 3.43Å; M145-F162 WeakPolarHBondContact SD-CZ 3.47Å; M145-Y174 HydrophobicContact CE-CD1 3.69Å; M145-Y174 HydrophobicContact CE-CD2 4Å; M145-Y174 HydrophobicContact CE-CE1 3.25Å; M145-Y174 HydrophobicContact CE-CE2 3.62Å; M145-Y174 HydrophobicContact CE-CG 4.03Å; M145-F179 HydrophobicContact CG-CD2 3.75Å; M145-F179 HydrophobicContact CG-CE2 4Å; M145-F179 HydrophobicContact SD-CD2 3.82Å
146	H	94.8	Very high	95.7	Very high	145 Å²	145	49.3 Å²	49.3	67%	0.671	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.4	175.2	-64.4	91.8	0	0	0	110.5
147	L	91.7	Very high	95.7	Very high	18 Å²	18	50.9 Å²	50.9	9%	0.094	26%	0.259	C	S	.	.			trans	-125.7	170.4	-178.3	-59.6	172.2	0	0	0	110.1	K129 I131 P151 V166	K129-L147 WeakPolarHBondContact CB-O 3.42Å; K129-L147 PolarHBondContact O-N 2.9Å; I131-L147 HydrophobicContact CD1-CD1 3.62Å; I131-L147 HydrophobicContact CG1-CD1 3.72Å; L147-P151 HydrophobicContact CD1-CB 3.63Å; L147-P151 HydrophobicContact CD1-CG 4.46Å; L147-V166 HydrophobicContact CD1-CG2 4.48Å; L147-V166 HydrophobicContact CD2-CG1 4.47Å; L147-V166 HydrophobicContact CD2-CG2 3.89Å
148	Q	87.9	Confident	95.6	Very high	144 Å²	144	49.2 Å²	49.2	67%	0.673	26%	0.259	S	S	*	.	S	Bend	trans	-90.7	-19	-176.3	-63.2	-59.4	-33.4	0	0	113.3	K129	K129-Q148 WeakPolarHBondContact CE-O 3.5Å; K129-Q148 PolarHBondContact NZ-O 2.75Å
149	G	88.1	Confident	95.6	Very high	16 Å²	16	48.2 Å²	48.2	17%	0.165	25%	0.253	C	S	.	.	S	Bend	trans	-148.4	-168.8	-175.8	0	0	0	0	0	112.8	P151 N167	G149-P151 WeakPolarHBondContact O-CD 3.18Å; G149-N167 WeakPolarHBondContact CA-OD1 3.36Å; G149-N167 PolarHBondContact N-OD1 2.91Å
150	K	93.5	Very high	95.6	Very high	56 Å²	56	49.9 Å²	49.9	24%	0.243	26%	0.258	C	S	.	.			trans	-60.3	120.7	178.3	176.9	-177.4	175.2	-163	0	110.3	V111 L127 E196	V111-K150 HydrophobicContact CG2-CG 4.07Å; L127-K150 HydrophobicContact CD2-CB 4.21Å; L127-K150 HydrophobicContact CD2-CD 3.97Å; L127-K150 HydrophobicContact CD2-CG 3.82Å; K150-E196 IonicContact NZ-OE2 2.64Å
151	P	94.6	Very high	95.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.			trans	-83.9	148.1	176.5	31.4	-31.5	0	0	0	112.4	V111 S126 I131 L147 G149	V111-P151 WeakPolarHBondContact CG2-O 3.17Å; S126-P151 WeakPolarHBondContact O-CD 3.21Å; S126-P151 WeakPolarHBondContact O-CG 3.44Å; I131-P151 HydrophobicContact CD1-CB 3.99Å; I131-P151 HydrophobicContact CG1-CB 3.68Å; I131-P151 HydrophobicContact CG1-CG 4.23Å; L147-P151 HydrophobicContact CD1-CB 3.63Å; L147-P151 HydrophobicContact CD1-CG 4.46Å; G149-P151 WeakPolarHBondContact O-CD 3.18Å
152	V	96.6	Very high	95.5	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.5	154.2	-67.6	0	0	0	0	107.7	A164 G165 W197 L200	V152-A164 CarbonylContact O-C 3.57Å; V152-A164 WeakPolarHBondContact O-CA 3.49Å; V152-G165 PolarHBondContact N-O 2.87Å; V152-G165 PolarHBondContact O-N 2.97Å; V152-W197 HydrophobicContact CG2-CB 4.1Å; V152-W197 HydrophobicContact CG2-CE3 4.14Å; V152-L200 HydrophobicContact CB-CB 4.24Å; V152-L200 HydrophobicContact CG2-CB 3.95Å
153	C	97.7	Very high	95.6	Very high	7 Å²	7	39 Å²	39	5%	0.047	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.2	-177.2	57.3	0	0	0	0	112.6	I123 I131 A163	I123-C153 HydrophobicContact CD1-CB 3.96Å; I123-C153 HydrophobicContact CG1-CB 4.44Å; I131-C153 HydrophobicContact CD1-CB 3.81Å; I131-C153 HydrophobicContact CG1-CB 4.44Å; C153-A163 WeakPolarHBondContact CA-O 3.27Å; C153-A163 WeakPolarHBondContact CB-O 3.39Å
154	S	97.5	Very high	95.6	Very high	13 Å²	13	38.7 Å²	38.7	9%	0.091	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	146.9	177.2	179	0	0	0	0	110.3	F162 A163 L200	S154-F162 CarbonylContact O-C 3.58Å; S154-F162 WeakPolarHBondContact O-CA 3.39Å; S154-F162 WeakPolarHBondContact O-CB 3.44Å; S154-A163 PolarHBondContact N-O 2.86Å; S154-A163 VanDerWaalsContact N-O 3.12Å; S154-A163 PolarHBondContact O-N 2.8Å; S154-L200 WeakPolarHBondContact CB-O 3.42Å
155	F	98.2	Very high	95.6	Very high	9 Å²	9	35.3 Å²	35.3	4%	0.039	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	152.1	170.4	-73.3	-76.6	0	0	0	111.1	I123 L133 F162 L176 F202	I123-F155 HydrophobicContact CB-CD2 4.44Å; I123-F155 HydrophobicContact CB-CE2 3.66Å; I123-F155 HydrophobicContact CB-CZ 3.91Å; I123-F155 HydrophobicContact CG2-CD2 3.71Å; I123-F155 HydrophobicContact CG2-CE2 3.4Å; I123-F155 HydrophobicContact CG2-CZ 4.08Å; L133-F155 HydrophobicContact CD2-CZ 4.26Å; F155-F162 HydrophobicContact CD1-CB 4.07Å; F155-F162 HydrophobicContact CE1-CB 4.41Å; F155-L176 HydrophobicContact CE1-CD1 3.85Å; F155-L176 HydrophobicContact CE1-CD2 3.89Å; F155-L176 HydrophobicContact CE1-CG 4.46Å; F155-L176 HydrophobicContact CZ-CD1 4.5Å; F155-F202 WeakPolarHBondContact O-CD2 3.36Å
156	D	97.9	Very high	95.5	Very high	16 Å²	16	35.1 Å²	35.1	9%	0.086	18%	0.179	C	C	.	.			trans	-71.7	166.6	162	81.9	-67.1	0	0	0	111.1	P117 E158 G159 L160 I161 F202	P117-D156 WeakPolarHBondContact CG-O 3.32Å; D156-E158 PolarHBondContact O-N 2.87Å; D156-E158 WeakPolarHBondContact OD2-CB 3.31Å; D156-E158 PolarHBondContact OD2-N 2.9Å; D156-G159 PolarHBondContact O-N 2.95Å; D156-G159 WeakPolarHBondContact OD1-CA 3.35Å; D156-G159 PolarHBondContact OD1-N 2.63Å; D156-L160 PolarHBondContact OD1-N 3.16Å; D156-I161 HydrophobicContact CB-CD1 4.17Å; D156-I161 HydrophobicContact CB-CG1 3.51Å; D156-I161 VanDerWaalsContact CG-CG1 3.49Å; D156-I161 PolarHBondContact N-O 3.06Å; D156-I161 VanDerWaalsContact N-O 3.08Å; D156-I161 WeakPolarHBondContact OD1-CG1 3.07Å; D156-I161 PolarHBondContact OD1-N 2.82Å; D156-F202 HydrophobicContact CB-CD1 4.2Å; D156-F202 HydrophobicContact CB-CD2 4.18Å; D156-F202 HydrophobicContact CB-CE1 4.19Å; D156-F202 HydrophobicContact CB-CE2 4.14Å; D156-F202 HydrophobicContact CB-CG 4.17Å; D156-F202 HydrophobicContact CB-CZ 4.14Å
157	P	97.2	Very high	95.2	Very high	41 Å²	41	31.2 Å²	31.2	27%	0.266	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.1	-176.9	-22.9	35.1	0	0	0	115.1	P117 F202 S203 N204	P117-P157 WeakPolarHBondContact CG-O 2.95Å; P157-F202 HydrophobicContact CG-CB 4.34Å; P157-S203 WeakPolarHBondContact CG-O 3.36Å; P157-N204 WeakPolarHBondContact CB-O 3.32Å; P157-N204 WeakPolarHBondContact CG-O 3.27Å
158	E	97.2	Very high	95.2	Very high	131 Å²	131	31.2 Å²	31.2	61%	0.612	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-7.3	176.8	-56.9	-173.2	167.6	0	0	112.4	V118 D156 L160	V118-E158 WeakPolarHBondContact CG1-O 3.41Å; D156-E158 PolarHBondContact O-N 2.87Å; D156-E158 WeakPolarHBondContact OD2-CB 3.31Å; D156-E158 PolarHBondContact OD2-N 2.9Å; E158-L160 HydrophobicContact CB-CD1 4.12Å; E158-L160 HydrophobicContact CB-CG 3.96Å; E158-L160 PolarHBondContact O-N 3.22Å; E158-L160 WeakPolarHBondContact OE2-CD1 3.19Å
159	G	96.5	Very high	95.5	Very high	4 Å²	4	27 Å²	27	4%	0.041	15%	0.145	C	C	.	.	S	Bend	trans	64.2	19	-178	0	0	0	0	0	114	D156 L176	D156-G159 PolarHBondContact O-N 2.95Å; D156-G159 WeakPolarHBondContact OD1-CA 3.35Å; D156-G159 PolarHBondContact OD1-N 2.63Å; G159-L176 WeakPolarHBondContact O-CD2 3.29Å
160	L	96.9	Very high	95.8	Very high	85 Å²	85	28.6 Å²	28.6	45%	0.445	15%	0.149	S	C	.	.	S	Bend	trans	-88	-27.8	-179.8	-63.3	-179.2	0	0	0	111.9	D156 E158 L176	D156-L160 PolarHBondContact OD1-N 3.16Å; E158-L160 HydrophobicContact CB-CD1 4.12Å; E158-L160 HydrophobicContact CB-CG 3.96Å; E158-L160 PolarHBondContact O-N 3.22Å; E158-L160 WeakPolarHBondContact OE2-CD1 3.19Å; L160-L176 VanDerWaalsContact O-CB 3.26Å; L160-L176 WeakPolarHBondContact O-CB 3.26Å; L160-L176 PolarHBondContact O-N 3.37Å
161	I	97.5	Very high	96	Very high	34 Å²	34	25.9 Å²	25.9	17%	0.174	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	166.2	-179.6	72.6	167	0	0	0	110.4	D156 L173 Y174 F184 F202	D156-I161 HydrophobicContact CB-CD1 4.17Å; D156-I161 HydrophobicContact CB-CG1 3.51Å; D156-I161 VanDerWaalsContact CG-CG1 3.49Å; D156-I161 PolarHBondContact N-O 3.06Å; D156-I161 VanDerWaalsContact N-O 3.08Å; D156-I161 WeakPolarHBondContact OD1-CG1 3.07Å; D156-I161 PolarHBondContact OD1-N 2.82Å; I161-L173 HydrophobicContact CD1-CD1 4.44Å; I161-Y174 CarbonylContact C-O 3.56Å; I161-Y174 WeakPolarHBondContact CA-O 3.21Å; I161-Y174 WeakPolarHBondContact CB-O 3.34Å; I161-F184 HydrophobicContact CB-CE1 4.18Å; I161-F184 HydrophobicContact CB-CZ 4.42Å; I161-F184 HydrophobicContact CD1-CE1 4.47Å; I161-F184 HydrophobicContact CD1-CZ 3.9Å; I161-F184 HydrophobicContact CG2-CE1 3.8Å; I161-F184 HydrophobicContact CG2-CZ 4.01Å; I161-F202 HydrophobicContact CD1-CE1 4.33Å; I161-F202 HydrophobicContact CD1-CZ 4.09Å; I161-F202 HydrophobicContact CG1-CZ 4.47Å
162	F	97.6	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.5	164.2	63.7	-86.6	0	0	0	110.6	I123 L133 M145 S154 F155 Y174 L176 F179	I123-F162 HydrophobicContact CD1-CB 4.09Å; I123-F162 HydrophobicContact CD1-CD1 4.4Å; I123-F162 HydrophobicContact CD1-CD2 3.53Å; I123-F162 HydrophobicContact CD1-CE2 4.02Å; I123-F162 HydrophobicContact CD1-CG 3.75Å; L133-F162 HydrophobicContact CD1-CE1 4.4Å; M145-F162 HydrophobicContact CE-CE2 4.16Å; M145-F162 HydrophobicContact CE-CZ 4.19Å; M145-F162 HydrophobicContact SD-CE2 3.68Å; M145-F162 HydrophobicContact SD-CZ 3.43Å; M145-F162 WeakPolarHBondContact SD-CZ 3.47Å; S154-F162 CarbonylContact O-C 3.58Å; S154-F162 WeakPolarHBondContact O-CA 3.39Å; S154-F162 WeakPolarHBondContact O-CB 3.44Å; F155-F162 HydrophobicContact CD1-CB 4.07Å; F155-F162 HydrophobicContact CE1-CB 4.41Å; F162-Y174 HydrophobicContact CD2-CD2 4.18Å; F162-Y174 HydrophobicContact CE1-CG 4.4Å; F162-Y174 AromaticContact CE2-CD2 3.58Å; F162-Y174 HydrophobicContact CE2-CD2 3.58Å; F162-Y174 HydrophobicContact CE2-CE2 4.36Å; F162-Y174 AromaticContact CE2-CG 3.84Å; F162-Y174 HydrophobicContact CE2-CG 3.84Å; F162-Y174 HydrophobicContact CZ-CD1 4.47Å; F162-Y174 AromaticContact CZ-CD2 3.98Å; F162-Y174 HydrophobicContact CZ-CD2 3.98Å; F162-Y174 AromaticContact CZ-CG 3.72Å; F162-Y174 HydrophobicContact CZ-CG 3.72Å; F162-Y174 PolarHBondContact N-O 2.8Å; F162-Y174 PolarHBondContact O-N 3.04Å; F162-L176 HydrophobicContact CD1-CD1 3.97Å; F162-L176 HydrophobicContact CE1-CD1 4.12Å; F162-F179 HydrophobicContact CE1-CB 3.8Å; F162-F179 HydrophobicContact CE1-CG 4.37Å; F162-F179 HydrophobicContact CZ-CB 3.83Å; F162-F179 HydrophobicContact CZ-CG 4.37Å
163	A	97.9	Very high	96.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	139.2	170	0	0	0	0	0	109.8	C153 S154 V171 K172 L173 L200 F202	C153-A163 WeakPolarHBondContact CA-O 3.27Å; C153-A163 WeakPolarHBondContact CB-O 3.39Å; S154-A163 PolarHBondContact N-O 2.86Å; S154-A163 VanDerWaalsContact N-O 3.12Å; S154-A163 PolarHBondContact O-N 2.8Å; A163-V171 HydrophobicContact CB-CG1 4.12Å; A163-K172 CarbonylContact C-O 3.41Å; A163-K172 WeakPolarHBondContact CA-O 3.19Å; A163-L173 HydrophobicContact CB-CD2 3.52Å; A163-L200 HydrophobicContact CB-CD2 3.45Å; A163-L200 VanDerWaalsContact CB-CD2 3.45Å; A163-L200 HydrophobicContact CB-CG 4.31Å; A163-F202 HydrophobicContact CB-CE2 3.44Å; A163-F202 VanDerWaalsContact CB-CE2 3.44Å; A163-F202 HydrophobicContact CB-CZ 3.63Å
164	A	97.2	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.1	169.5	0	0	0	0	0	109.6	I131 V152 K172 Y174	I131-A164 HydrophobicContact CD1-CB 3.47Å; I131-A164 VanDerWaalsContact CD1-CB 3.47Å; V152-A164 CarbonylContact O-C 3.57Å; V152-A164 WeakPolarHBondContact O-CA 3.49Å; A164-K172 PolarHBondContact N-O 2.96Å; A164-K172 PolarHBondContact O-N 2.65Å; A164-Y174 HydrophobicContact CB-CD2 4.41Å; A164-Y174 HydrophobicContact CB-CE2 3.93Å
165	G	96.3	Very high	96.2	Very high	1 Å²	1	31 Å²	31	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124	167.5	0	0	0	0	0	110.1	V152 M170	V152-G165 PolarHBondContact N-O 2.87Å; V152-G165 PolarHBondContact O-N 2.97Å; G165-M170 WeakPolarHBondContact CA-O 3.3Å
166	V	92	Very high	96.1	Very high	14 Å²	14	32.1 Å²	32.1	9%	0.085	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.7	-175.6	-173.2	0	0	0	0	109.5	L147 S168 E169 M170 K172	L147-V166 HydrophobicContact CD1-CG2 4.48Å; L147-V166 HydrophobicContact CD2-CG1 4.47Å; L147-V166 HydrophobicContact CD2-CG2 3.89Å; V166-S168 PolarHBondContact O-N 2.92Å; V166-E169 PolarHBondContact O-N 2.88Å; V166-M170 PolarHBondContact N-O 3.4Å; V166-M170 PolarHBondContact O-N 3.18Å; V166-M170 VanDerWaalsContact O-N 3.14Å; V166-K172 HydrophobicContact CG2-CD 4.19Å
167	N	88.9	Confident	95.9	Very high	63 Å²	63	42.1 Å²	42.1	34%	0.337	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	14.1	178.4	-62.9	-13.2	0	0	0	115.5	G149 E169	G149-N167 WeakPolarHBondContact CA-OD1 3.36Å; G149-N167 PolarHBondContact N-OD1 2.91Å; N167-E169 HydrophobicContact CB-CB 4.41Å; N167-E169 HydrophobicContact CB-CG 4.32Å; N167-E169 PolarHBondContact O-N 3.17Å
168	S	92.5	Very high	95.8	Very high	17 Å²	17	41.6 Å²	41.6	12%	0.119	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	25.5	-169.3	-47	0	0	0	0	113.9	V166 E196 W197	V166-S168 PolarHBondContact O-N 2.92Å; S168-E196 WeakPolarHBondContact OG-CA 3.32Å; S168-W197 VanDerWaalsContact C-CZ2 3.42Å; S168-W197 VanDerWaalsContact O-CE2 3.31Å; S168-W197 WeakPolarHBondContact O-CZ2 3.4Å; S168-W197 PolarHBondContact O-NE1 2.84Å; S168-W197 PolarHBondContact OG-N 2.94Å
169	E	93.4	Very high	95.6	Very high	55 Å²	55	37.1 Å²	37.1	26%	0.257	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-29	-174.9	-71.7	178.6	-173.8	0	0	113.1	V166 N167 M189 Y191	V166-E169 PolarHBondContact O-N 2.88Å; N167-E169 HydrophobicContact CB-CB 4.41Å; N167-E169 HydrophobicContact CB-CG 4.32Å; N167-E169 PolarHBondContact O-N 3.17Å; E169-M189 PolarHBondContact O-N 3.27Å; E169-Y191 HydrophobicContact CG-CD2 3.28Å; E169-Y191 HydrophobicContact CG-CE2 4.07Å; E169-Y191 HydrophobicContact CG-CG 3.79Å; E169-Y191 WeakPolarHBondContact OE1-CD2 3.13Å; E169-Y191 WeakPolarHBondContact OE1-CE2 3.42Å; E169-Y191 VanDerWaalsContact OE1-CG 3.31Å
170	M	95.5	Very high	95.4	Very high	50 Å²	50	43 Å²	43	25%	0.246	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.2	-173.3	-57.1	-174.6	-165.9	0	0	111.3	G165 V166 T186 F187 K188 W197	G165-M170 WeakPolarHBondContact CA-O 3.3Å; V166-M170 PolarHBondContact N-O 3.4Å; V166-M170 PolarHBondContact O-N 3.18Å; V166-M170 VanDerWaalsContact O-N 3.14Å; M170-T186 HydrophobicContact CB-CG2 4.38Å; M170-T186 HydrophobicContact SD-CG2 3.99Å; M170-F187 VanDerWaalsContact CA-O 3.28Å; M170-F187 WeakPolarHBondContact CA-O 3.13Å; M170-K188 HydrophobicContact CE-CD 4.37Å; M170-K188 HydrophobicContact CE-CG 4.21Å; M170-K188 HydrophobicContact CG-CG 4.22Å; M170-K188 HydrophobicContact SD-CG 4.22Å; M170-W197 WeakPolarHBondContact O-CZ3 3.34Å
171	V	97.6	Very high	95.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.4	160.6	179.8	0	0	0	0	107.4	A163 L173 T186 F187 W197 L200 I209 I211 I221	A163-V171 HydrophobicContact CB-CG1 4.12Å; V171-L173 HydrophobicContact CG1-CD2 3.98Å; V171-T186 WeakPolarHBondContact O-CA 3.49Å; V171-F187 HydrophobicContact CB-CB 4.39Å; V171-F187 HydrophobicContact CB-CD2 4.29Å; V171-F187 HydrophobicContact CG1-CD2 4.36Å; V171-F187 PolarHBondContact N-O 2.98Å; V171-F187 PolarHBondContact O-N 3.46Å; V171-W197 HydrophobicContact CG2-CH2 3.71Å; V171-W197 HydrophobicContact CG2-CZ3 3.58Å; V171-L200 HydrophobicContact CG2-CD1 4.23Å; V171-I209 HydrophobicContact CG1-CD1 4.12Å; V171-I211 HydrophobicContact CG2-CD1 3.77Å; V171-I211 HydrophobicContact CG2-CG1 4.41Å; V171-I221 HydrophobicContact CB-CD1 4.38Å; V171-I221 HydrophobicContact CG2-CD1 3.97Å
172	K	97.2	Very high	95.1	Very high	53 Å²	53	46.8 Å²	46.8	23%	0.23	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.3	175.9	-71.5	-171.6	167.9	-165.8	0	109.4	A163 A164 V166 Y174 P183 A185 T186	A163-K172 CarbonylContact C-O 3.41Å; A163-K172 WeakPolarHBondContact CA-O 3.19Å; A164-K172 PolarHBondContact N-O 2.96Å; A164-K172 PolarHBondContact O-N 2.65Å; V166-K172 HydrophobicContact CG2-CD 4.19Å; K172-Y174 HydrophobicContact CB-CD2 4.34Å; K172-Y174 HydrophobicContact CB-CE2 3.45Å; K172-Y174 VanDerWaalsContact CB-CE2 3.45Å; K172-Y174 HydrophobicContact CD-CE2 4.48Å; K172-Y174 VanDerWaalsContact CD-OH 3.3Å; K172-Y174 WeakPolarHBondContact CD-OH 3.4Å; K172-P183 HydrophobicContact CB-CB 3.97Å; K172-P183 HydrophobicContact CD-CB 4.38Å; K172-P183 HydrophobicContact CD-CG 4.02Å; K172-P183 HydrophobicContact CG-CB 4.35Å; K172-P183 HydrophobicContact CG-CG 4.4Å; K172-A185 WeakPolarHBondContact CA-O 3.42Å; K172-T186 HydrophobicContact CG-CG2 4.03Å
173	L	98.1	Very high	95.1	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.3	178.1	-53.1	-173.7	0	0	0	110.1	I161 A163 V171 P183 F184 A185 F187 F202 I209 A223	I161-L173 HydrophobicContact CD1-CD1 4.44Å; A163-L173 HydrophobicContact CB-CD2 3.52Å; V171-L173 HydrophobicContact CG1-CD2 3.98Å; L173-P183 CarbonylContact O-C 3.53Å; L173-P183 WeakPolarHBondContact O-CA 3.22Å; L173-P183 VanDerWaalsContact O-CB 3.32Å; L173-P183 WeakPolarHBondContact O-CB 3.41Å; L173-F184 HydrophobicContact CB-CD1 4.38Å; L173-F184 HydrophobicContact CB-CE1 3.72Å; L173-F184 HydrophobicContact CB-CE2 3.9Å; L173-F184 HydrophobicContact CB-CZ 3.44Å; L173-F184 VanDerWaalsContact CB-CZ 3.44Å; L173-F184 HydrophobicContact CD1-CE2 4.16Å; L173-F184 HydrophobicContact CD1-CZ 4.09Å; L173-F184 HydrophobicContact CG-CZ 4.43Å; L173-F184 WeakPolarHBondContact O-CD1 3.28Å; L173-F184 PolarHBondContact O-N 3.47Å; L173-A185 HydrophobicContact CB-CB 4.18Å; L173-A185 HydrophobicContact CD1-CB 4.16Å; L173-A185 HydrophobicContact CG-CB 4.26Å; L173-A185 PolarHBondContact N-O 2.66Å; L173-F187 HydrophobicContact CD1-CE2 3.82Å; L173-F187 HydrophobicContact CD1-CZ 4.04Å; L173-F187 HydrophobicContact CG-CE2 4.23Å; L173-F202 HydrophobicContact CD2-CZ 4Å; L173-I209 HydrophobicContact CD2-CD1 3.97Å; L173-A223 WeakPolarHBondContact CD1-O 3.24Å
174	Y	97.8	Very high	95	Very high	11 Å²	11	54.7 Å²	54.7	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.9	-177.2	-63.6	-95.6	0	0	0	110	M145 I161 F162 A164 K172 F179 G182 P183 F184	M145-Y174 HydrophobicContact CE-CD1 3.69Å; M145-Y174 HydrophobicContact CE-CD2 4Å; M145-Y174 HydrophobicContact CE-CE1 3.25Å; M145-Y174 HydrophobicContact CE-CE2 3.62Å; M145-Y174 HydrophobicContact CE-CG 4.03Å; I161-Y174 CarbonylContact C-O 3.56Å; I161-Y174 WeakPolarHBondContact CA-O 3.21Å; I161-Y174 WeakPolarHBondContact CB-O 3.34Å; F162-Y174 HydrophobicContact CD2-CD2 4.18Å; F162-Y174 HydrophobicContact CE1-CG 4.4Å; F162-Y174 AromaticContact CE2-CD2 3.58Å; F162-Y174 HydrophobicContact CE2-CD2 3.58Å; F162-Y174 HydrophobicContact CE2-CE2 4.36Å; F162-Y174 AromaticContact CE2-CG 3.84Å; F162-Y174 HydrophobicContact CE2-CG 3.84Å; F162-Y174 HydrophobicContact CZ-CD1 4.47Å; F162-Y174 AromaticContact CZ-CD2 3.98Å; F162-Y174 HydrophobicContact CZ-CD2 3.98Å; F162-Y174 AromaticContact CZ-CG 3.72Å; F162-Y174 HydrophobicContact CZ-CG 3.72Å; F162-Y174 PolarHBondContact N-O 2.8Å; F162-Y174 PolarHBondContact O-N 3.04Å; A164-Y174 HydrophobicContact CB-CD2 4.41Å; A164-Y174 HydrophobicContact CB-CE2 3.93Å; K172-Y174 HydrophobicContact CB-CD2 4.34Å; K172-Y174 HydrophobicContact CB-CE2 3.45Å; K172-Y174 VanDerWaalsContact CB-CE2 3.45Å; K172-Y174 HydrophobicContact CD-CE2 4.48Å; K172-Y174 VanDerWaalsContact CD-OH 3.3Å; K172-Y174 WeakPolarHBondContact CD-OH 3.4Å; Y174-F179 HydrophobicContact CD1-CB 4.25Å; Y174-F179 HydrophobicContact CG-CB 4.48Å; Y174-G182 VanDerWaalsContact CE1-C 3.49Å; Y174-P183 HydrophobicContact CD1-CB 4.16Å; Y174-P183 HydrophobicContact CE1-CB 3.78Å; Y174-P183 HydrophobicContact CE1-CG 4.19Å; Y174-P183 VanDerWaalsContact CE1-N 3.26Å; Y174-P183 HydrophobicContact CE2-CB 4.15Å; Y174-F184 VanDerWaalsContact C-CE1 3.49Å
175	D	97.3	Very high	95.1	Very high	61 Å²	61	55.7 Å²	55.7	33%	0.326	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.3	167.8	174.9	-68.8	0	0	0	108.1	R177 S178 F179 F184	D175-R177 PolarHBondContact O-N 3.16Å; D175-R177 WeakPolarHBondContact OD1-CA 3.37Å; D175-R177 WeakPolarHBondContact OD1-CB 3.25Å; D175-R177 PolarHBondContact OD1-N 3.39Å; D175-S178 WeakPolarHBondContact CB-OG 3.42Å; D175-S178 VanDerWaalsContact CG-OG 3.23Å; D175-S178 CarbonylContact O-C 3.43Å; D175-S178 PolarHBondContact O-N 2.89Å; D175-S178 VanDerWaalsContact O-N 3.14Å; D175-S178 PolarHBondContact OD1-N 2.8Å; D175-S178 PolarHBondContact OD1-OG 2.94Å; D175-F179 VanDerWaalsContact O-CA 3.31Å; D175-F179 WeakPolarHBondContact O-CA 3.22Å; D175-F179 WeakPolarHBondContact O-CB 3.45Å; D175-F179 PolarHBondContact O-N 2.93Å; D175-F184 HydrophobicContact CB-CD1 4.26Å
176	L	95.3	Very high	95.1	Very high	33 Å²	33	58.5 Å²	58.5	17%	0.173	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.7	-173	-176.1	61.6	0	0	0	112.8	L133 F155 G159 L160 F162 S178 F179	L133-L176 HydrophobicContact CD1-CD1 3.73Å; L133-L176 HydrophobicContact CD2-CD1 3.87Å; L133-L176 HydrophobicContact CG-CD1 4.46Å; F155-L176 HydrophobicContact CE1-CD1 3.85Å; F155-L176 HydrophobicContact CE1-CD2 3.89Å; F155-L176 HydrophobicContact CE1-CG 4.46Å; F155-L176 HydrophobicContact CZ-CD1 4.5Å; G159-L176 WeakPolarHBondContact O-CD2 3.29Å; L160-L176 VanDerWaalsContact O-CB 3.26Å; L160-L176 WeakPolarHBondContact O-CB 3.26Å; L160-L176 PolarHBondContact O-N 3.37Å; F162-L176 HydrophobicContact CD1-CD1 3.97Å; F162-L176 HydrophobicContact CE1-CD1 4.12Å; L176-S178 VanDerWaalsContact C-N 3.35Å; L176-F179 WeakPolarHBondContact O-CD1 3.43Å
177	R	94.1	Very high	95.4	Very high	227 Å²	227	59 Å²	59	86%	0.857	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-12.9	-178.9	-61.9	-179.7	175.7	173.9	0.6	112.8	D175	D175-R177 PolarHBondContact O-N 3.16Å; D175-R177 WeakPolarHBondContact OD1-CA 3.37Å; D175-R177 WeakPolarHBondContact OD1-CB 3.25Å; D175-R177 PolarHBondContact OD1-N 3.39Å
178	S	94.8	Very high	95.7	Very high	30 Å²	30	63.8 Å²	63.8	21%	0.21	31%	0.311	C	S	.	.	S	Bend	trans	-146.1	30.5	-173.3	53.8	0	0	0	0	113.5	D175 L176 D180 K181	D175-S178 WeakPolarHBondContact CB-OG 3.42Å; D175-S178 VanDerWaalsContact CG-OG 3.23Å; D175-S178 CarbonylContact O-C 3.43Å; D175-S178 PolarHBondContact O-N 2.89Å; D175-S178 VanDerWaalsContact O-N 3.14Å; D175-S178 PolarHBondContact OD1-N 2.8Å; D175-S178 PolarHBondContact OD1-OG 2.94Å; L176-S178 VanDerWaalsContact C-N 3.35Å; S178-D180 WeakPolarHBondContact CA-OD1 3.24Å; S178-D180 PolarHBondContact O-N 3.43Å; S178-K181 VanDerWaalsContact O-CB 3.32Å; S178-K181 WeakPolarHBondContact O-CB 3.27Å; S178-K181 PolarHBondContact O-N 2.95Å
179	F	93.7	Very high	95.7	Very high	37 Å²	37	64 Å²	64	16%	0.162	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-61.7	-25.3	-178.4	70.4	-87.7	0	0	0	113.2	L133 M145 F162 Y174 D175 L176 K181 G182	L133-F179 HydrophobicContact CD1-CD1 3.72Å; L133-F179 HydrophobicContact CD1-CE1 3.58Å; L133-F179 HydrophobicContact CD1-CE2 4.4Å; L133-F179 HydrophobicContact CD1-CG 4.21Å; L133-F179 HydrophobicContact CD1-CZ 3.97Å; M145-F179 HydrophobicContact CG-CD2 3.75Å; M145-F179 HydrophobicContact CG-CE2 4Å; M145-F179 HydrophobicContact SD-CD2 3.82Å; F162-F179 HydrophobicContact CE1-CB 3.8Å; F162-F179 HydrophobicContact CE1-CG 4.37Å; F162-F179 HydrophobicContact CZ-CB 3.83Å; F162-F179 HydrophobicContact CZ-CG 4.37Å; Y174-F179 HydrophobicContact CD1-CB 4.25Å; Y174-F179 HydrophobicContact CG-CB 4.48Å; D175-F179 VanDerWaalsContact O-CA 3.31Å; D175-F179 WeakPolarHBondContact O-CA 3.22Å; D175-F179 WeakPolarHBondContact O-CB 3.45Å; D175-F179 PolarHBondContact O-N 2.93Å; L176-F179 WeakPolarHBondContact O-CD1 3.43Å; F179-K181 PolarHBondContact O-N 2.94Å; F179-G182 PolarHBondContact O-N 3.14Å
180	D	91.9	Very high	95.4	Very high	126 Å²	126	69.1 Å²	69.1	67%	0.674	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-63.3	-23.4	175	64.8	-38.3	0	0	0	112.6	S178 G182	S178-D180 WeakPolarHBondContact CA-OD1 3.24Å; S178-D180 PolarHBondContact O-N 3.43Å; D180-G182 PolarHBondContact O-N 3.04Å
181	K	95	Very high	94.9	Very high	174 Å²	174	72.1 Å²	72.1	76%	0.757	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-74.3	-3.9	172.2	-58.2	-176.7	-175.3	168.9	0	113.5	S178 F179	S178-K181 VanDerWaalsContact O-CB 3.32Å; S178-K181 WeakPolarHBondContact O-CB 3.27Å; S178-K181 PolarHBondContact O-N 2.95Å; F179-K181 PolarHBondContact O-N 2.94Å
182	G	94.2	Very high	94.4	Very high	25 Å²	25	74.1 Å²	74.1	26%	0.258	35%	0.354	S	S	.	.			trans	89	-177.6	-175	0	0	0	0	0	112.8	Y174 F179 D180	Y174-G182 VanDerWaalsContact CE1-C 3.49Å; F179-G182 PolarHBondContact O-N 3.14Å; D180-G182 PolarHBondContact O-N 3.04Å
183	P	96.3	Very high	93.8	Very high	44 Å²	44	81.8 Å²	81.8	29%	0.286	38%	0.382	S	S	.	.			trans	-74.5	136.5	-175	31.6	-36.1	0	0	0	111.3	K172 L173 Y174 A185	K172-P183 HydrophobicContact CB-CB 3.97Å; K172-P183 HydrophobicContact CD-CB 4.38Å; K172-P183 HydrophobicContact CD-CG 4.02Å; K172-P183 HydrophobicContact CG-CB 4.35Å; K172-P183 HydrophobicContact CG-CG 4.4Å; L173-P183 CarbonylContact O-C 3.53Å; L173-P183 WeakPolarHBondContact O-CA 3.22Å; L173-P183 VanDerWaalsContact O-CB 3.32Å; L173-P183 WeakPolarHBondContact O-CB 3.41Å; Y174-P183 HydrophobicContact CD1-CB 4.16Å; Y174-P183 HydrophobicContact CE1-CB 3.78Å; Y174-P183 HydrophobicContact CE1-CG 4.19Å; Y174-P183 VanDerWaalsContact CE1-N 3.26Å; Y174-P183 HydrophobicContact CE2-CB 4.15Å; P183-A185 VanDerWaalsContact C-N 3.33Å
184	F	97.3	Very high	93.3	Very high	122 Å²	122	87 Å²	87	54%	0.535	41%	0.414	S	S	.	.	S	Bend	trans	-79.5	-19.9	171.9	68.4	-97.4	0	0	0	112.2	I161 L173 Y174 D175	I161-F184 HydrophobicContact CB-CE1 4.18Å; I161-F184 HydrophobicContact CB-CZ 4.42Å; I161-F184 HydrophobicContact CD1-CE1 4.47Å; I161-F184 HydrophobicContact CD1-CZ 3.9Å; I161-F184 HydrophobicContact CG2-CE1 3.8Å; I161-F184 HydrophobicContact CG2-CZ 4.01Å; L173-F184 HydrophobicContact CB-CD1 4.38Å; L173-F184 HydrophobicContact CB-CE1 3.72Å; L173-F184 HydrophobicContact CB-CE2 3.9Å; L173-F184 HydrophobicContact CB-CZ 3.44Å; L173-F184 VanDerWaalsContact CB-CZ 3.44Å; L173-F184 HydrophobicContact CD1-CE2 4.16Å; L173-F184 HydrophobicContact CD1-CZ 4.09Å; L173-F184 HydrophobicContact CG-CZ 4.43Å; L173-F184 WeakPolarHBondContact O-CD1 3.28Å; L173-F184 PolarHBondContact O-N 3.47Å; Y174-F184 VanDerWaalsContact C-CE1 3.49Å; D175-F184 HydrophobicContact CB-CD1 4.26Å
185	A	97.8	Very high	93	Very high	22 Å²	22	87 Å²	87	18%	0.182	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.4	172.6	0	0	0	0	0	111.1	K172 L173 P183 F187	K172-A185 WeakPolarHBondContact CA-O 3.42Å; L173-A185 HydrophobicContact CB-CB 4.18Å; L173-A185 HydrophobicContact CD1-CB 4.16Å; L173-A185 HydrophobicContact CG-CB 4.26Å; L173-A185 PolarHBondContact N-O 2.66Å; P183-A185 VanDerWaalsContact C-N 3.33Å; A185-F187 HydrophobicContact CB-CE1 4.13Å; A185-F187 HydrophobicContact CB-CZ 4.14Å
186	T	97.7	Very high	92.9	Very high	60 Å²	60	88.6 Å²	88.6	37%	0.368	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	116.9	174.6	-64.3	0	0	0	0	109.6	M170 V171 K172	M170-T186 HydrophobicContact CB-CG2 4.38Å; M170-T186 HydrophobicContact SD-CG2 3.99Å; V171-T186 WeakPolarHBondContact O-CA 3.49Å; K172-T186 HydrophobicContact CG-CG2 4.03Å
187	F	97.5	Very high	92.9	Very high	23 Å²	23	87.5 Å²	87.5	10%	0.101	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.5	176.6	-50.5	-40.9	0	0	0	109.1	M170 V171 L173 A185 I221 A223 G226	M170-F187 VanDerWaalsContact CA-O 3.28Å; M170-F187 WeakPolarHBondContact CA-O 3.13Å; V171-F187 HydrophobicContact CB-CB 4.39Å; V171-F187 HydrophobicContact CB-CD2 4.29Å; V171-F187 HydrophobicContact CG1-CD2 4.36Å; V171-F187 PolarHBondContact N-O 2.98Å; V171-F187 PolarHBondContact O-N 3.46Å; L173-F187 HydrophobicContact CD1-CE2 3.82Å; L173-F187 HydrophobicContact CD1-CZ 4.04Å; L173-F187 HydrophobicContact CG-CE2 4.23Å; A185-F187 HydrophobicContact CB-CE1 4.13Å; A185-F187 HydrophobicContact CB-CZ 4.14Å; F187-I221 HydrophobicContact CD2-CD1 4.19Å; F187-A223 VanDerWaalsContact CE2-O 3.32Å; F187-A223 WeakPolarHBondContact CE2-O 3.49Å; F187-A223 WeakPolarHBondContact CZ-O 3.3Å; F187-G226 VanDerWaalsContact CD2-CA 3.42Å
188	K	95.9	Very high	93	Very high	165 Å²	165	77.5 Å²	77.5	72%	0.717	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.1	175	-65.4	-176	-179.7	178.8	0	109.3	M170	M170-K188 HydrophobicContact CE-CD 4.37Å; M170-K188 HydrophobicContact CE-CG 4.21Å; M170-K188 HydrophobicContact CG-CG 4.22Å; M170-K188 HydrophobicContact SD-CG 4.22Å
189	M	91.9	Very high	93.1	Very high	22 Å²	22	76.6 Å²	76.6	11%	0.108	37%	0.374	C	S	.	.			trans	-113.3	156.9	175.7	-57.9	-167.8	80.1	0	0	109.8	E169 Y191 W197 I211 R219 I221 V228	E169-M189 PolarHBondContact O-N 3.27Å; M189-Y191 PolarHBondContact O-N 2.83Å; M189-Y191 VanDerWaalsContact O-N 3.13Å; M189-W197 HydrophobicContact CB-CZ2 4.28Å; M189-W197 HydrophobicContact CG-CH2 4.31Å; M189-W197 HydrophobicContact CG-CZ2 4.25Å; M189-W197 HydrophobicContact SD-CH2 3.69Å; M189-W197 HydrophobicContact SD-CZ2 3.51Å; M189-W197 VanDerWaalsContact SD-CZ2 3.51Å; M189-I211 HydrophobicContact CE-CD1 3.85Å; M189-I211 HydrophobicContact SD-CD1 3.21Å; M189-I211 WeakPolarHBondContact SD-CD1 3.5Å; M189-R219 HydrophobicContact CE-CB 4.2Å; M189-R219 HydrophobicContact CE-CG 4.42Å; M189-I221 HydrophobicContact CE-CG2 3.74Å; M189-V228 HydrophobicContact CE-CG2 3.6Å
190	Q	87.7	Confident	93.2	Very high	161 Å²	161	75.1 Å²	75.1	75%	0.752	37%	0.368	S	S	*	.			trans	-61.7	119	171.2	-175.4	178.9	3.4	0	0	109	D192 R219	Q190-D192 PolarHBondContact O-N 2.93Å; Q190-R219 PolarHBondContact O-NH1 3Å
191	Y	84.9	Confident	93.5	Very high	114 Å²	114	71.1 Å²	71.1	45%	0.447	34%	0.344	S	S	.	.			trans	-62.1	128.9	174.3	-179.6	-131	0	0	0	110.2	E169 M189 R193	E169-Y191 HydrophobicContact CG-CD2 3.28Å; E169-Y191 HydrophobicContact CG-CE2 4.07Å; E169-Y191 HydrophobicContact CG-CG 3.79Å; E169-Y191 WeakPolarHBondContact OE1-CD2 3.13Å; E169-Y191 WeakPolarHBondContact OE1-CE2 3.42Å; E169-Y191 VanDerWaalsContact OE1-CG 3.31Å; M189-Y191 PolarHBondContact O-N 2.83Å; M189-Y191 VanDerWaalsContact O-N 3.13Å; Y191-R193 HydrophobicContact CD1-CG 3.88Å; Y191-R193 HydrophobicContact CE1-CB 4.44Å; Y191-R193 HydrophobicContact CE1-CG 3.24Å
192	D	85.8	Confident	93.7	Very high	42 Å²	42	63.5 Å²	63.5	23%	0.225	31%	0.311	C	S	.	.			trans	-117.9	113.1	174.8	-168.2	-27.8	0	0	0	108.8	Q190 T194 C195 F217	Q190-D192 PolarHBondContact O-N 2.93Å; D192-T194 PolarHBondContact O-N 2.89Å; D192-T194 WeakPolarHBondContact OD1-CB 3.21Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.49Å; D192-T194 PolarHBondContact OD1-N 2.74Å; D192-T194 PolarHBondContact OD1-OG1 3.11Å; D192-C195 VanDerWaalsContact O-O 3.1Å; D192-F217 HydrophobicContact CB-CZ 4.39Å; D192-F217 WeakPolarHBondContact OD2-CE1 3.27Å; D192-F217 VanDerWaalsContact OD2-CZ 3.31Å; D192-F217 WeakPolarHBondContact OD2-CZ 3.39Å
193	R	84.9	Confident	93.9	Very high	214 Å²	214	62.3 Å²	62.3	81%	0.808	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.1	-179.1	-71	179.9	-175.6	-172.6	1	113.3	Y191	Y191-R193 HydrophobicContact CD1-CG 3.88Å; Y191-R193 HydrophobicContact CE1-CB 4.44Å; Y191-R193 HydrophobicContact CE1-CG 3.24Å
194	T	87.7	Confident	93.9	Very high	115 Å²	115	64.9 Å²	64.9	71%	0.706	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-12	-175	69.9	0	0	0	0	113.3	D192	D192-T194 PolarHBondContact O-N 2.89Å; D192-T194 WeakPolarHBondContact OD1-CB 3.21Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.49Å; D192-T194 PolarHBondContact OD1-N 2.74Å; D192-T194 PolarHBondContact OD1-OG1 3.11Å
195	C	92.5	Very high	93.9	Very high	10 Å²	10	62.6 Å²	62.6	7%	0.068	30%	0.303	C	S	.	.			trans	-145.1	157.8	-177.2	71.9	0	0	0	0	112.7	D192 N214 F217	D192-C195 VanDerWaalsContact O-O 3.1Å; C195-N214 VanDerWaalsContact CA-OD1 3.3Å; C195-N214 WeakPolarHBondContact CA-OD1 3.29Å; C195-N214 WeakPolarHBondContact CB-OD1 3.3Å; C195-F217 VanDerWaalsContact SG-CZ 3.53Å
196	E	94	Very high	93.9	Very high	94 Å²	94	62.3 Å²	62.3	44%	0.439	30%	0.303	S	S	.	.			trans	-114.5	153.1	168.9	-60.4	-172.4	152.2	0	0	110	K150 S168 T213 N214	K150-E196 IonicContact NZ-OE2 2.64Å; S168-E196 WeakPolarHBondContact OG-CA 3.32Å; E196-T213 CarbonylContact O-C 3.52Å; E196-T213 WeakPolarHBondContact O-CA 3.36Å; E196-T213 WeakPolarHBondContact O-CB 3.35Å; E196-N214 PolarHBondContact N-OD1 2.76Å; E196-N214 PolarHBondContact O-N 3.33Å; E196-N214 PolarHBondContact O-OD1 2.9Å
197	W	95.9	Very high	93.9	Very high	10 Å²	10	65 Å²	65	4%	0.038	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132.7	171	-61.2	1.3	0	0	0	109.9	V152 S168 M170 V171 M189 I211 S212	V152-W197 HydrophobicContact CG2-CB 4.1Å; V152-W197 HydrophobicContact CG2-CE3 4.14Å; S168-W197 VanDerWaalsContact C-CZ2 3.42Å; S168-W197 VanDerWaalsContact O-CE2 3.31Å; S168-W197 WeakPolarHBondContact O-CZ2 3.4Å; S168-W197 PolarHBondContact O-NE1 2.84Å; S168-W197 PolarHBondContact OG-N 2.94Å; M170-W197 WeakPolarHBondContact O-CZ3 3.34Å; V171-W197 HydrophobicContact CG2-CH2 3.71Å; V171-W197 HydrophobicContact CG2-CZ3 3.58Å; M189-W197 HydrophobicContact CB-CZ2 4.28Å; M189-W197 HydrophobicContact CG-CH2 4.31Å; M189-W197 HydrophobicContact CG-CZ2 4.25Å; M189-W197 HydrophobicContact SD-CH2 3.69Å; M189-W197 HydrophobicContact SD-CZ2 3.51Å; M189-W197 VanDerWaalsContact SD-CZ2 3.51Å; W197-I211 HydrophobicContact CB-CG2 4.3Å; W197-I211 HydrophobicContact CD2-CG2 3.51Å; W197-I211 HydrophobicContact CE3-CG2 4.03Å; W197-I211 HydrophobicContact CG-CG2 3.62Å; W197-I211 HydrophobicContact CH2-CD1 4.11Å; W197-I211 HydrophobicContact CZ2-CD1 4.22Å; W197-I211 HydrophobicContact CZ2-CG2 4.41Å; W197-I211 HydrophobicContact CZ3-CD1 4.38Å; W197-S212 CarbonylContact C-O 3.54Å; W197-S212 WeakPolarHBondContact CA-O 3.11Å
198	T	95.8	Very high	94	Very high	17 Å²	17	64.9 Å²	64.9	10%	0.104	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-20.9	-177.7	52.7	0	0	0	0	112.5	S212 T213 N214 T242 L243	T198-S212 PolarHBondContact N-O 3.12Å; T198-S212 VanDerWaalsContact OG1-CB 3.3Å; T198-S212 WeakPolarHBondContact OG1-CB 3.27Å; T198-S212 PolarHBondContact OG1-O 2.93Å; T198-T213 PolarHBondContact OG1-N 2.9Å; T198-N214 HydrophobicContact CG2-CB 3.71Å; T198-N214 VanDerWaalsContact CG2-N 3.34Å; T198-T242 HydrophobicContact CG2-CG2 3.83Å; T198-L243 PolarHBondContact OG1-O 3.24Å
199	G	96	Very high	94.1	Very high	11 Å²	11	57 Å²	57	11%	0.113	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	155.9	-179.6	0	0	0	0	0	111.9	S212	G199-S212 PolarHBondContact N-O 2.86Å; G199-S212 PolarHBondContact O-N 2.96Å
200	L	97.4	Very high	94.4	Very high	7 Å²	7	56 Å²	56	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	130.5	177	-165.1	68.1	0	0	0	107	V152 S154 A163 V171 I209 L210 I211	V152-L200 HydrophobicContact CB-CB 4.24Å; V152-L200 HydrophobicContact CG2-CB 3.95Å; S154-L200 WeakPolarHBondContact CB-O 3.42Å; A163-L200 HydrophobicContact CB-CD2 3.45Å; A163-L200 VanDerWaalsContact CB-CD2 3.45Å; A163-L200 HydrophobicContact CB-CG 4.31Å; V171-L200 HydrophobicContact CG2-CD1 4.23Å; L200-I209 HydrophobicContact CD1-CG2 3.45Å; L200-I209 VanDerWaalsContact CD1-CG2 3.45Å; L200-I209 HydrophobicContact CG-CG2 4.02Å; L200-L210 WeakPolarHBondContact CA-O 3.37Å; L200-I211 HydrophobicContact CD1-CG1 3.6Å
201	K	97.9	Very high	94.9	Very high	42 Å²	42	48.3 Å²	48.3	18%	0.183	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139.5	177.9	-71.2	-174.9	178.5	163.1	0	110.5	I209 L210 E244 A245 F247	K201-I209 CarbonylContact O-C 3.59Å; K201-I209 WeakPolarHBondContact O-CA 3.42Å; K201-L210 PolarHBondContact N-O 3.32Å; K201-L210 PolarHBondContact O-N 3.27Å; K201-E244 WeakPolarHBondContact CE-OE1 3.38Å; K201-E244 IonicContact NZ-OE1 3.82Å; K201-E244 PolarHBondContact NZ-OE1 2.64Å; K201-A245 PolarHBondContact NZ-O 2.81Å; K201-F247 HydrophobicContact CB-CE2 4.5Å
202	F	98.4	Very high	95.5	Very high	14 Å²	14	43 Å²	43	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	151.7	163.4	-72.6	-95.7	0	0	0	110.4	F155 D156 P157 I161 A163 L173 L208 I209 A223	F155-F202 WeakPolarHBondContact O-CD2 3.36Å; D156-F202 HydrophobicContact CB-CD1 4.2Å; D156-F202 HydrophobicContact CB-CD2 4.18Å; D156-F202 HydrophobicContact CB-CE1 4.19Å; D156-F202 HydrophobicContact CB-CE2 4.14Å; D156-F202 HydrophobicContact CB-CG 4.17Å; D156-F202 HydrophobicContact CB-CZ 4.14Å; P157-F202 HydrophobicContact CG-CB 4.34Å; I161-F202 HydrophobicContact CD1-CE1 4.33Å; I161-F202 HydrophobicContact CD1-CZ 4.09Å; I161-F202 HydrophobicContact CG1-CZ 4.47Å; A163-F202 HydrophobicContact CB-CE2 3.44Å; A163-F202 VanDerWaalsContact CB-CE2 3.44Å; A163-F202 HydrophobicContact CB-CZ 3.63Å; L173-F202 HydrophobicContact CD2-CZ 4Å; F202-L208 CarbonylContact C-O 3.55Å; F202-L208 WeakPolarHBondContact CA-O 3.37Å; F202-I209 HydrophobicContact CD1-CD1 4.23Å; F202-I209 HydrophobicContact CD1-CG1 3.62Å; F202-I209 HydrophobicContact CE1-CD1 3.62Å; F202-I209 HydrophobicContact CE1-CG1 3.55Å; F202-I209 HydrophobicContact CG-CG1 4.24Å; F202-I209 HydrophobicContact CZ-CD1 3.91Å; F202-I209 HydrophobicContact CZ-CG1 4.13Å; F202-A223 HydrophobicContact CD1-CB 4.39Å; F202-A223 HydrophobicContact CE1-CB 4.26Å
203	S	98.2	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.			trans	-66.3	153.7	160	57.9	0	0	0	0	109.9	P157 D205 G206 K207 L208	P157-S203 WeakPolarHBondContact CG-O 3.36Å; S203-D205 WeakPolarHBondContact CB-OD1 3.48Å; S203-D205 PolarHBondContact O-N 3.42Å; S203-D205 VanDerWaalsContact O-N 3.17Å; S203-D205 PolarHBondContact OG-OD1 3.2Å; S203-G206 WeakPolarHBondContact O-CA 3.38Å; S203-G206 PolarHBondContact O-N 3.15Å; S203-K207 PolarHBondContact OG-N 3.33Å; S203-L208 PolarHBondContact N-O 3.48Å; S203-L208 PolarHBondContact OG-N 3.47Å; S203-L208 PolarHBondContact OG-O 3.13Å
204	N	96.9	Very high	96.5	Very high	98 Å²	98	32 Å²	32	52%	0.524	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.2	-178.7	-69.9	-14.6	0	0	0	113.3	P157 G206 P249 S251	P157-N204 WeakPolarHBondContact CB-O 3.32Å; P157-N204 WeakPolarHBondContact CG-O 3.27Å; N204-G206 VanDerWaalsContact C-N 3.34Å; N204-P249 WeakPolarHBondContact ND2-CA 3.49Å; N204-P249 PolarHBondContact ND2-O 3.11Å; N204-S251 PolarHBondContact N-OG 3.09Å
205	D	97.2	Very high	96.8	Very high	73 Å²	73	27 Å²	27	39%	0.39	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2.8	173.2	76.6	-17.7	0	0	0	113.7	S203 K207 S251	S203-D205 WeakPolarHBondContact CB-OD1 3.48Å; S203-D205 PolarHBondContact O-N 3.42Å; S203-D205 VanDerWaalsContact O-N 3.17Å; S203-D205 PolarHBondContact OG-OD1 3.2Å; D205-K207 PolarHBondContact O-N 2.73Å; D205-K207 VanDerWaalsContact O-N 3.14Å; D205-K207 PolarHBondContact OD1-N 3.04Å; D205-K207 WeakPolarHBondContact OD2-CD 3.28Å; D205-K207 WeakPolarHBondContact OD2-CG 3.16Å; D205-K207 IonicContact OD2-NZ 2.77Å; D205-K207 PolarHBondContact OD2-NZ 2.93Å; D205-S251 PolarHBondContact N-OG 2.97Å
206	G	97.7	Very high	96.9	Very high	16 Å²	16	29.1 Å²	29.1	17%	0.165	16%	0.158	C	C	.	.	S	Bend	trans	72.2	-0.5	176	0	0	0	0	0	115.2	S203 N204 A223	S203-G206 WeakPolarHBondContact O-CA 3.38Å; S203-G206 PolarHBondContact O-N 3.15Å; N204-G206 VanDerWaalsContact C-N 3.34Å; G206-A223 VanDerWaalsContact O-CB 3.26Å; G206-A223 WeakPolarHBondContact O-CB 3.33Å
207	K	98.1	Very high	97	Very high	116 Å²	116	26.4 Å²	26.4	50%	0.504	14%	0.144	S	C	.	.	S	Bend	trans	-83	-20.9	-172.7	-58.5	-166.8	-164.8	107	0	114.3	S203 D205 A223 F224	S203-K207 PolarHBondContact OG-N 3.33Å; D205-K207 PolarHBondContact O-N 2.73Å; D205-K207 VanDerWaalsContact O-N 3.14Å; D205-K207 PolarHBondContact OD1-N 3.04Å; D205-K207 WeakPolarHBondContact OD2-CD 3.28Å; D205-K207 WeakPolarHBondContact OD2-CG 3.16Å; D205-K207 IonicContact OD2-NZ 2.77Å; D205-K207 PolarHBondContact OD2-NZ 2.93Å; K207-A223 VanDerWaalsContact C-CB 3.48Å; K207-A223 WeakPolarHBondContact O-CB 3.37Å; K207-A223 PolarHBondContact O-N 3.25Å; K207-F224 HydrophobicContact CB-CE2 4.46Å; K207-F224 HydrophobicContact CG-CE2 4.37Å
208	L	98.4	Very high	97.1	Very high	21 Å²	21	25.9 Å²	25.9	11%	0.11	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.8	-171.9	-54.6	170	0	0	0	110.9	F202 S203 L220 I221 M229 F247	F202-L208 CarbonylContact C-O 3.55Å; F202-L208 WeakPolarHBondContact CA-O 3.37Å; S203-L208 PolarHBondContact N-O 3.48Å; S203-L208 PolarHBondContact OG-N 3.47Å; S203-L208 PolarHBondContact OG-O 3.13Å; L208-L220 HydrophobicContact CB-CD1 3.88Å; L208-L220 HydrophobicContact CD1-CD1 4.18Å; L208-L220 HydrophobicContact CD1-CD2 4.19Å; L208-L220 HydrophobicContact CD1-CG 4.45Å; L208-L220 HydrophobicContact CG-CD1 4.49Å; L208-I221 CarbonylContact C-O 3.54Å; L208-I221 WeakPolarHBondContact CA-O 3.2Å; L208-M229 HydrophobicContact CD2-CE 4.29Å; L208-M229 HydrophobicContact CD2-SD 3.22Å; L208-M229 WeakPolarHBondContact CD2-SD 3.39Å; L208-F247 HydrophobicContact CB-CE1 4.49Å; L208-F247 HydrophobicContact CB-CZ 4.16Å; L208-F247 HydrophobicContact CD1-CE1 4.44Å
209	I	98.5	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127	169.2	-62.4	168.7	0	0	0	108.3	V171 L173 L200 K201 F202 I211 I221 A223	V171-I209 HydrophobicContact CG1-CD1 4.12Å; L173-I209 HydrophobicContact CD2-CD1 3.97Å; L200-I209 HydrophobicContact CD1-CG2 3.45Å; L200-I209 VanDerWaalsContact CD1-CG2 3.45Å; L200-I209 HydrophobicContact CG-CG2 4.02Å; K201-I209 CarbonylContact O-C 3.59Å; K201-I209 WeakPolarHBondContact O-CA 3.42Å; F202-I209 HydrophobicContact CD1-CD1 4.23Å; F202-I209 HydrophobicContact CD1-CG1 3.62Å; F202-I209 HydrophobicContact CE1-CD1 3.62Å; F202-I209 HydrophobicContact CE1-CG1 3.55Å; F202-I209 HydrophobicContact CG-CG1 4.24Å; F202-I209 HydrophobicContact CZ-CD1 3.91Å; F202-I209 HydrophobicContact CZ-CG1 4.13Å; I209-I211 HydrophobicContact CG2-CG1 4.4Å; I209-I221 HydrophobicContact CB-CD1 4.11Å; I209-I221 HydrophobicContact CB-CG1 3.66Å; I209-I221 HydrophobicContact CD1-CD1 4.46Å; I209-I221 HydrophobicContact CG2-CD1 4.34Å; I209-I221 HydrophobicContact CG2-CG1 4.26Å; I209-I221 PolarHBondContact N-O 2.87Å; I209-I221 PolarHBondContact O-N 2.91Å; I209-A223 HydrophobicContact CD1-CB 4.06Å; I209-A223 HydrophobicContact CG1-CB 3.86Å
210	L	98.6	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.5	174.3	-179.4	61.8	0	0	0	110	L200 K201 I218 L220 A245 F247 I254	L200-L210 WeakPolarHBondContact CA-O 3.37Å; K201-L210 PolarHBondContact N-O 3.32Å; K201-L210 PolarHBondContact O-N 3.27Å; L210-I218 HydrophobicContact CD1-CB 4.48Å; L210-I218 HydrophobicContact CD1-CD1 4.19Å; L210-I218 HydrophobicContact CD1-CG1 4.49Å; L210-L220 HydrophobicContact CB-CD1 4.47Å; L210-L220 HydrophobicContact CD1-CD1 4.47Å; L210-A245 HydrophobicContact CD2-CB 3.69Å; L210-A245 HydrophobicContact CG-CB 4.26Å; L210-F247 HydrophobicContact CB-CD2 4.33Å; L210-F247 HydrophobicContact CB-CE2 3.39Å; L210-F247 HydrophobicContact CB-CZ 3.52Å; L210-F247 HydrophobicContact CD2-CD2 4.24Å; L210-F247 HydrophobicContact CD2-CE2 4.07Å; L210-F247 HydrophobicContact CD2-CZ 4.36Å; L210-F247 HydrophobicContact CG-CE2 4.38Å; L210-F247 HydrophobicContact CG-CZ 4.48Å; L210-I254 HydrophobicContact CD1-CG1 4.42Å; L210-I254 HydrophobicContact CD1-CG2 3.92Å; L210-I254 HydrophobicContact CD2-CG2 4.04Å
211	I	97.9	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	112.1	177.7	-58.3	169.7	0	0	0	107.9	V171 M189 W197 L200 I209 T213 I218 R219 I221	V171-I211 HydrophobicContact CG2-CD1 3.77Å; V171-I211 HydrophobicContact CG2-CG1 4.41Å; M189-I211 HydrophobicContact CE-CD1 3.85Å; M189-I211 HydrophobicContact SD-CD1 3.21Å; M189-I211 WeakPolarHBondContact SD-CD1 3.5Å; W197-I211 HydrophobicContact CB-CG2 4.3Å; W197-I211 HydrophobicContact CD2-CG2 3.51Å; W197-I211 HydrophobicContact CE3-CG2 4.03Å; W197-I211 HydrophobicContact CG-CG2 3.62Å; W197-I211 HydrophobicContact CH2-CD1 4.11Å; W197-I211 HydrophobicContact CZ2-CD1 4.22Å; W197-I211 HydrophobicContact CZ2-CG2 4.41Å; W197-I211 HydrophobicContact CZ3-CD1 4.38Å; L200-I211 HydrophobicContact CD1-CG1 3.6Å; I209-I211 HydrophobicContact CG2-CG1 4.4Å; I211-T213 HydrophobicContact CG2-CG2 4.45Å; I211-I218 WeakPolarHBondContact O-CA 3.3Å; I211-I218 WeakPolarHBondContact O-CB 3.1Å; I211-R219 HydrophobicContact CB-CB 4.37Å; I211-R219 PolarHBondContact N-O 3.17Å; I211-R219 PolarHBondContact O-N 3.14Å; I211-I221 HydrophobicContact CD1-CD1 4.19Å; I211-I221 HydrophobicContact CD1-CG2 4.27Å
212	S	97.5	Very high	97.4	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	142.8	171.9	-57.6	0	0	0	0	109.8	W197 T198 G199 A245	W197-S212 CarbonylContact C-O 3.54Å; W197-S212 WeakPolarHBondContact CA-O 3.11Å; T198-S212 PolarHBondContact N-O 3.12Å; T198-S212 VanDerWaalsContact OG1-CB 3.3Å; T198-S212 WeakPolarHBondContact OG1-CB 3.27Å; T198-S212 PolarHBondContact OG1-O 2.93Å; G199-S212 PolarHBondContact N-O 2.86Å; G199-S212 PolarHBondContact O-N 2.96Å; S212-A245 WeakPolarHBondContact OG-CB 3.38Å; S212-A245 PolarHBondContact OG-N 3.11Å
213	T	96.3	Very high	97.4	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	159.1	175.7	84.1	0	0	0	0	110.4	E196 T198 I211 G215 F217	E196-T213 CarbonylContact O-C 3.52Å; E196-T213 WeakPolarHBondContact O-CA 3.36Å; E196-T213 WeakPolarHBondContact O-CB 3.35Å; T198-T213 PolarHBondContact OG1-N 2.9Å; I211-T213 HydrophobicContact CG2-CG2 4.45Å; T213-G215 PolarHBondContact O-N 2.93Å; T213-G215 WeakPolarHBondContact OG1-CA 3.38Å; T213-G215 PolarHBondContact OG1-N 2.87Å; T213-F217 HydrophobicContact CG2-CD2 4.49Å; T213-F217 HydrophobicContact CG2-CE2 4.15Å; T213-F217 PolarHBondContact OG1-O 2.76Å
214	N	95.7	Very high	97.3	Very high	24 Å²	24	32.1 Å²	32.1	13%	0.128	17%	0.167	C	C	.	.	S	Bend	trans	-80	5.2	165.6	69.1	-7.9	0	0	0	112.1	C195 E196 T198 N237 A240	C195-N214 VanDerWaalsContact CA-OD1 3.3Å; C195-N214 WeakPolarHBondContact CA-OD1 3.29Å; C195-N214 WeakPolarHBondContact CB-OD1 3.3Å; E196-N214 PolarHBondContact N-OD1 2.76Å; E196-N214 PolarHBondContact O-N 3.33Å; E196-N214 PolarHBondContact O-OD1 2.9Å; T198-N214 HydrophobicContact CG2-CB 3.71Å; T198-N214 VanDerWaalsContact CG2-N 3.34Å; N214-N237 VanDerWaalsContact C-ND2 3.3Å; N214-N237 PolarHBondContact O-ND2 2.9Å; N214-A240 HydrophobicContact CB-CB 4.33Å; N214-A240 WeakPolarHBondContact O-CA 3.03Å; N214-A240 WeakPolarHBondContact O-CB 3.21Å
215	G	94.7	Very high	97.4	Very high	10 Å²	10	34.7 Å²	34.7	10%	0.103	17%	0.173	C	C	.	.	S	Bend	trans	-80	-171	168.9	0	0	0	0	0	111.9	T213 F217 Y235 N237	T213-G215 PolarHBondContact O-N 2.93Å; T213-G215 WeakPolarHBondContact OG1-CA 3.38Å; T213-G215 PolarHBondContact OG1-N 2.87Å; G215-F217 VanDerWaalsContact C-N 3.27Å; G215-F217 PolarHBondContact O-N 2.83Å; G215-Y235 PolarHBondContact O-OH 3.1Å; G215-N237 WeakPolarHBondContact O-CB 3.43Å; G215-N237 PolarHBondContact O-ND2 3.23Å
216	S	94.7	Very high	97.4	Very high	56 Å²	56	31.9 Å²	31.9	39%	0.392	16%	0.162	S	C	.	.	S	Bend	trans	-92.6	23.3	175.5	-61.9	0	0	0	0	113.1	G233 N237	S216-G233 WeakPolarHBondContact O-CA 3.41Å; S216-N237 PolarHBondContact OG-O 2.88Å
217	F	96.2	Very high	97.3	Very high	36 Å²	36	35.3 Å²	35.3	16%	0.158	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.6	173.8	65.5	-93.6	0	0	0	113.2	D192 C195 T213 G215 R219 T231 F232 Y235	D192-F217 HydrophobicContact CB-CZ 4.39Å; D192-F217 WeakPolarHBondContact OD2-CE1 3.27Å; D192-F217 VanDerWaalsContact OD2-CZ 3.31Å; D192-F217 WeakPolarHBondContact OD2-CZ 3.39Å; C195-F217 VanDerWaalsContact SG-CZ 3.53Å; T213-F217 HydrophobicContact CG2-CD2 4.49Å; T213-F217 HydrophobicContact CG2-CE2 4.15Å; T213-F217 PolarHBondContact OG1-O 2.76Å; G215-F217 VanDerWaalsContact C-N 3.27Å; G215-F217 PolarHBondContact O-N 2.83Å; F217-R219 HydrophobicContact CD2-CG 4.18Å; F217-R219 HydrophobicContact CE2-CG 4.32Å; F217-T231 HydrophobicContact CB-CG2 3.92Å; F217-T231 HydrophobicContact CD2-CG2 3.93Å; F217-T231 HydrophobicContact CG-CG2 4.13Å; F217-F232 CarbonylContact C-O 3.57Å; F217-F232 WeakPolarHBondContact CA-O 3.46Å; F217-F232 WeakPolarHBondContact CB-O 3.41Å; F217-Y235 WeakPolarHBondContact CA-OH 3.37Å; F217-Y235 PolarHBondContact N-OH 2.81Å; F217-Y235 PolarHBondContact O-OH 2.85Å; F217-Y235 VanDerWaalsContact O-OH 3.14Å
218	I	97.5	Very high	97.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	154.8	168.9	57.8	-177.3	0	0	0	109.3	L210 I211 T231 F232 Y235 A245 I254 I256 W266	L210-I218 HydrophobicContact CD1-CB 4.48Å; L210-I218 HydrophobicContact CD1-CD1 4.19Å; L210-I218 HydrophobicContact CD1-CG1 4.49Å; I211-I218 WeakPolarHBondContact O-CA 3.3Å; I211-I218 WeakPolarHBondContact O-CB 3.1Å; I218-T231 CarbonylContact O-C 3.47Å; I218-T231 WeakPolarHBondContact O-CA 2.96Å; I218-F232 HydrophobicContact CD1-CB 4.28Å; I218-F232 HydrophobicContact CD1-CD2 4.26Å; I218-F232 HydrophobicContact CG1-CB 3.74Å; I218-F232 HydrophobicContact CG1-CD2 4.01Å; I218-F232 HydrophobicContact CG1-CG 4.38Å; I218-F232 PolarHBondContact N-O 3.03Å; I218-F232 PolarHBondContact O-N 2.88Å; I218-Y235 WeakPolarHBondContact CG2-OH 3.41Å; I218-A245 HydrophobicContact CD1-CB 3.74Å; I218-A245 HydrophobicContact CG2-CB 4.33Å; I218-I254 HydrophobicContact CD1-CG2 3.57Å; I218-I256 HydrophobicContact CD1-CB 4.23Å; I218-I256 HydrophobicContact CD1-CD1 4.3Å; I218-I256 HydrophobicContact CG2-CD1 3.59Å; I218-W266 HydrophobicContact CD1-CZ3 4.37Å
219	R	97.6	Very high	97.3	Very high	29 Å²	29	35.6 Å²	35.6	11%	0.109	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.4	-178	-63.8	-175	180	172	1.9	110.9	M189 Q190 I211 F217 T231	M189-R219 HydrophobicContact CE-CB 4.2Å; M189-R219 HydrophobicContact CE-CG 4.42Å; Q190-R219 PolarHBondContact O-NH1 3Å; I211-R219 HydrophobicContact CB-CB 4.37Å; I211-R219 PolarHBondContact N-O 3.17Å; I211-R219 PolarHBondContact O-N 3.14Å; F217-R219 HydrophobicContact CD2-CG 4.18Å; F217-R219 HydrophobicContact CE2-CG 4.32Å; R219-T231 HydrophobicContact CG-CG2 4.2Å
220	L	98.4	Very high	97.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123	171.8	-174.5	71.3	0	0	0	108.2	L208 L210 M229 H230 F232 F247 I254	L208-L220 HydrophobicContact CB-CD1 3.88Å; L208-L220 HydrophobicContact CD1-CD1 4.18Å; L208-L220 HydrophobicContact CD1-CD2 4.19Å; L208-L220 HydrophobicContact CD1-CG 4.45Å; L208-L220 HydrophobicContact CG-CD1 4.49Å; L210-L220 HydrophobicContact CB-CD1 4.47Å; L210-L220 HydrophobicContact CD1-CD1 4.47Å; L220-M229 PolarHBondContact O-N 2.88Å; L220-H230 HydrophobicContact CB-CB 4.39Å; L220-H230 PolarHBondContact N-O 2.94Å; L220-H230 PolarHBondContact O-N 2.98Å; L220-F232 HydrophobicContact CB-CE2 3.79Å; L220-F232 HydrophobicContact CD2-CE2 4.06Å; L220-F232 HydrophobicContact CD2-CZ 4.16Å; L220-F247 HydrophobicContact CD1-CE1 3.6Å; L220-F247 HydrophobicContact CD1-CZ 3.53Å; L220-I254 HydrophobicContact CD1-CD1 4.42Å; L220-I254 HydrophobicContact CD1-CG1 4.39Å; L220-I254 HydrophobicContact CD2-CD1 3.96Å
221	I	98.2	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.9	-178.1	73	172.9	0	0	0	110.9	V171 F187 M189 L208 I209 I211 A223 V227 V228	V171-I221 HydrophobicContact CB-CD1 4.38Å; V171-I221 HydrophobicContact CG2-CD1 3.97Å; F187-I221 HydrophobicContact CD2-CD1 4.19Å; M189-I221 HydrophobicContact CE-CG2 3.74Å; L208-I221 CarbonylContact C-O 3.54Å; L208-I221 WeakPolarHBondContact CA-O 3.2Å; I209-I221 HydrophobicContact CB-CD1 4.11Å; I209-I221 HydrophobicContact CB-CG1 3.66Å; I209-I221 HydrophobicContact CD1-CD1 4.46Å; I209-I221 HydrophobicContact CG2-CD1 4.34Å; I209-I221 HydrophobicContact CG2-CG1 4.26Å; I209-I221 PolarHBondContact N-O 2.87Å; I209-I221 PolarHBondContact O-N 2.91Å; I211-I221 HydrophobicContact CD1-CD1 4.19Å; I211-I221 HydrophobicContact CD1-CG2 4.27Å; I221-A223 PolarHBondContact O-N 2.88Å; I221-V227 CarbonylContact C-O 3.56Å; I221-V227 VanDerWaalsContact CA-O 3.23Å; I221-V227 WeakPolarHBondContact CA-O 3.33Å; I221-V228 HydrophobicContact CG2-CB 4.45Å; I221-V228 HydrophobicContact CG2-CG2 3.97Å
222	D	98.2	Very high	97.2	Very high	33 Å²	33	41.6 Å²	41.6	18%	0.176	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	125.2	168.4	-179.7	-56	0	0	0	109.3	F224 K225 G226 V227 M229	D222-F224 VanDerWaalsContact C-N 3.28Å; D222-F224 PolarHBondContact O-N 3.01Å; D222-F224 WeakPolarHBondContact OD1-CA 3.18Å; D222-F224 WeakPolarHBondContact OD1-CB 3.49Å; D222-F224 PolarHBondContact OD1-N 2.71Å; D222-K225 HydrophobicContact CB-CB 4.37Å; D222-K225 PolarHBondContact OD1-N 2.75Å; D222-G226 VanDerWaalsContact O-CA 3.24Å; D222-G226 WeakPolarHBondContact O-CA 3.29Å; D222-G226 PolarHBondContact O-N 3.49Å; D222-V227 PolarHBondContact N-O 3.36Å; D222-M229 HydrophobicContact CB-CG 4.48Å; D222-M229 HydrophobicContact CB-SD 4.4Å
223	A	98.1	Very high	97.1	Very high	6 Å²	6	42.7 Å²	42.7	5%	0.05	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-22.8	-174.9	0	0	0	0	0	113.7	L173 F187 F202 G206 K207 I209 I221	L173-A223 WeakPolarHBondContact CD1-O 3.24Å; F187-A223 VanDerWaalsContact CE2-O 3.32Å; F187-A223 WeakPolarHBondContact CE2-O 3.49Å; F187-A223 WeakPolarHBondContact CZ-O 3.3Å; F202-A223 HydrophobicContact CD1-CB 4.39Å; F202-A223 HydrophobicContact CE1-CB 4.26Å; G206-A223 VanDerWaalsContact O-CB 3.26Å; G206-A223 WeakPolarHBondContact O-CB 3.33Å; K207-A223 VanDerWaalsContact C-CB 3.48Å; K207-A223 WeakPolarHBondContact O-CB 3.37Å; K207-A223 PolarHBondContact O-N 3.25Å; I209-A223 HydrophobicContact CD1-CB 4.06Å; I209-A223 HydrophobicContact CG1-CB 3.86Å; I221-A223 PolarHBondContact O-N 2.88Å
224	F	97.9	Very high	97.1	Very high	153 Å²	153	45.7 Å²	45.7	67%	0.671	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-35.7	-178	-60.8	-83.2	0	0	0	112.1	K207 D222	K207-F224 HydrophobicContact CB-CE2 4.46Å; K207-F224 HydrophobicContact CG-CE2 4.37Å; D222-F224 VanDerWaalsContact C-N 3.28Å; D222-F224 PolarHBondContact O-N 3.01Å; D222-F224 WeakPolarHBondContact OD1-CA 3.18Å; D222-F224 WeakPolarHBondContact OD1-CB 3.49Å; D222-F224 PolarHBondContact OD1-N 2.71Å
225	K	97.6	Very high	97.1	Very high	152 Å²	152	45 Å²	45	66%	0.661	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-18.2	-173.4	-61	175.8	-176.9	167.8	0	113.7	D222 V227	D222-K225 HydrophobicContact CB-CB 4.37Å; D222-K225 PolarHBondContact OD1-N 2.75Å; K225-V227 HydrophobicContact CB-CG2 3.92Å; K225-V227 PolarHBondContact O-N 3.49Å
226	G	97	Very high	97.2	Very high	14 Å²	14	46.3 Å²	46.3	14%	0.144	27%	0.269	C	S	.	.			trans	70.8	11.2	-175.9	0	0	0	0	0	114.8	F187 D222	F187-G226 VanDerWaalsContact CD2-CA 3.42Å; D222-G226 VanDerWaalsContact O-CA 3.24Å; D222-G226 WeakPolarHBondContact O-CA 3.29Å; D222-G226 PolarHBondContact O-N 3.49Å
227	V	97.3	Very high	97.3	Very high	88 Å²	88	43.9 Å²	43.9	53%	0.533	25%	0.251	S	S	.	.			trans	-74.9	131	-179.5	177.1	0	0	0	0	108.8	I221 D222 K225 M229	I221-V227 CarbonylContact C-O 3.56Å; I221-V227 VanDerWaalsContact CA-O 3.23Å; I221-V227 WeakPolarHBondContact CA-O 3.33Å; D222-V227 PolarHBondContact N-O 3.36Å; K225-V227 HydrophobicContact CB-CG2 3.92Å; K225-V227 PolarHBondContact O-N 3.49Å; V227-M229 PolarHBondContact O-N 3.31Å; V227-M229 VanDerWaalsContact O-N 3.17Å
228	V	97.5	Very high	97.2	Very high	61 Å²	61	47.2 Å²	47.2	37%	0.37	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	112.8	172.7	-177.8	0	0	0	0	108.8	M189 I221	M189-V228 HydrophobicContact CE-CG2 3.6Å; I221-V228 HydrophobicContact CG2-CB 4.45Å; I221-V228 HydrophobicContact CG2-CG2 3.97Å
229	M	97.3	Very high	97.1	Very high	83 Å²	83	54.9 Å²	54.9	41%	0.409	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-49.3	175.4	-67.6	-173.2	62.8	0	0	110.5	L208 L220 D222 V227	L208-M229 HydrophobicContact CD2-CE 4.29Å; L208-M229 HydrophobicContact CD2-SD 3.22Å; L208-M229 WeakPolarHBondContact CD2-SD 3.39Å; L220-M229 PolarHBondContact O-N 2.88Å; D222-M229 HydrophobicContact CB-CG 4.48Å; D222-M229 HydrophobicContact CB-SD 4.4Å; V227-M229 PolarHBondContact O-N 3.31Å; V227-M229 VanDerWaalsContact O-N 3.17Å
230	H	98.1	Very high	97	Very high	42 Å²	42	55.6 Å²	55.6	19%	0.194	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.8	-178.6	-67.3	-66.3	0	0	0	111.5	L220 F232 G268 E269 G271	L220-H230 HydrophobicContact CB-CB 4.39Å; L220-H230 PolarHBondContact N-O 2.94Å; L220-H230 PolarHBondContact O-N 2.98Å; H230-F232 HydrophobicContact CB-CD1 4.28Å; H230-F232 HydrophobicContact CB-CD2 4.48Å; H230-F232 HydrophobicContact CB-CE1 3.68Å; H230-F232 HydrophobicContact CB-CE2 3.9Å; H230-F232 HydrophobicContact CB-CZ 3.45Å; H230-F232 VanDerWaalsContact CB-CZ 3.45Å; H230-F232 AromaticContact CG-CZ 3.96Å; H230-G268 PolarHBondContact CD2-O 3.26Å; H230-G268 PolarHBondContact NE2-O 2.98Å; H230-E269 PolarHBondContact NE2-O 3.01Å; H230-G271 VanDerWaalsContact CE1-CA 3.42Å; H230-G271 WeakPolarHBondContact CE1-CA 3.37Å; H230-G271 PolarHBondContact CE1-N 3.49Å; H230-G271 WeakPolarHBondContact ND1-CA 3.36Å; H230-G271 PolarHBondContact NE2-N 2.83Å
231	T	97.5	Very high	96.9	Very high	79 Å²	79	57 Å²	57	49%	0.485	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	111.6	164.7	-62.1	0	0	0	0	107.5	F217 I218 R219	F217-T231 HydrophobicContact CB-CG2 3.92Å; F217-T231 HydrophobicContact CD2-CG2 3.93Å; F217-T231 HydrophobicContact CG-CG2 4.13Å; I218-T231 CarbonylContact O-C 3.47Å; I218-T231 WeakPolarHBondContact O-CA 2.96Å; R219-T231 HydrophobicContact CG-CG2 4.2Å
232	F	98	Very high	96.8	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.018	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.6	-176	-56.4	-66.7	0	0	0	110.1	F217 I218 L220 H230 I254 W266	F217-F232 CarbonylContact C-O 3.57Å; F217-F232 WeakPolarHBondContact CA-O 3.46Å; F217-F232 WeakPolarHBondContact CB-O 3.41Å; I218-F232 HydrophobicContact CD1-CB 4.28Å; I218-F232 HydrophobicContact CD1-CD2 4.26Å; I218-F232 HydrophobicContact CG1-CB 3.74Å; I218-F232 HydrophobicContact CG1-CD2 4.01Å; I218-F232 HydrophobicContact CG1-CG 4.38Å; I218-F232 PolarHBondContact N-O 3.03Å; I218-F232 PolarHBondContact O-N 2.88Å; L220-F232 HydrophobicContact CB-CE2 3.79Å; L220-F232 HydrophobicContact CD2-CE2 4.06Å; L220-F232 HydrophobicContact CD2-CZ 4.16Å; H230-F232 HydrophobicContact CB-CD1 4.28Å; H230-F232 HydrophobicContact CB-CD2 4.48Å; H230-F232 HydrophobicContact CB-CE1 3.68Å; H230-F232 HydrophobicContact CB-CE2 3.9Å; H230-F232 HydrophobicContact CB-CZ 3.45Å; H230-F232 VanDerWaalsContact CB-CZ 3.45Å; H230-F232 AromaticContact CG-CZ 3.96Å; F232-I254 HydrophobicContact CD2-CG2 4.3Å; F232-I254 HydrophobicContact CE2-CB 4.16Å; F232-I254 HydrophobicContact CE2-CD1 4.05Å; F232-I254 HydrophobicContact CE2-CG1 3.92Å; F232-I254 HydrophobicContact CE2-CG2 4.37Å; F232-I254 HydrophobicContact CZ-CD1 4.17Å; F232-W266 HydrophobicContact CB-CD2 3.92Å; F232-W266 HydrophobicContact CB-CE3 4.25Å; F232-W266 HydrophobicContact CB-CG 4.32Å; F232-W266 HydrophobicContact CB-CH2 4.38Å; F232-W266 HydrophobicContact CB-CZ2 4.06Å; F232-W266 HydrophobicContact CB-CZ3 4.47Å; F232-W266 HydrophobicContact CD1-CB 3.67Å; F232-W266 AromaticContact CD1-CD1 3.42Å; F232-W266 VanDerWaalsContact CD1-CD1 3.42Å; F232-W266 AromaticContact CD1-CD2 3.91Å; F232-W266 HydrophobicContact CD1-CD2 3.91Å; F232-W266 AromaticContact CD1-CG 3.41Å; F232-W266 HydrophobicContact CD1-CG 3.41Å; F232-W266 VanDerWaalsContact CD1-CG 3.41Å; F232-W266 AromaticContact CD1-NE1 3.91Å; F232-W266 HydrophobicContact CE1-CB 3.51Å; F232-W266 AromaticContact CE1-CD1 3.99Å; F232-W266 AromaticContact CE1-CG 3.81Å; F232-W266 HydrophobicContact CE1-CG 3.81Å; F232-W266 HydrophobicContact CG-CB 4.36Å; F232-W266 HydrophobicContact CG-CD2 4.03Å; F232-W266 HydrophobicContact CG-CE3 4.42Å; F232-W266 AromaticContact CG-CG 4Å; F232-W266 HydrophobicContact CG-CG 4Å; F232-W266 HydrophobicContact CZ-CB 4.14Å
233	G	96.3	Very high	96.7	Very high	26 Å²	26	59.2 Å²	59.2	27%	0.268	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-165.9	178.5	0	0	0	0	0	113.4	S216 W266 K273	S216-G233 WeakPolarHBondContact O-CA 3.41Å; G233-W266 WeakPolarHBondContact O-CZ2 3.36Å; G233-K273 PolarHBondContact O-NZ 2.83Å
234	G	94.8	Very high	96.5	Very high	63 Å²	63	60.4 Å²	60.4	65%	0.649	35%	0.352	S	S	*	.			trans	73.7	32.4	-177.4	0	0	0	0	0	113.1	K273	G234-K273 PolarHBondContact O-NZ 3.5Å
235	Y	96.9	Very high	96.5	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.035	32%	0.32	C	S	.	.	S	Bend	trans	-115.2	152	162.4	62.1	-92.8	0	0	0	108	G215 F217 I218 N237 L243 I256 H264 W266	G215-Y235 PolarHBondContact O-OH 3.1Å; F217-Y235 WeakPolarHBondContact CA-OH 3.37Å; F217-Y235 PolarHBondContact N-OH 2.81Å; F217-Y235 PolarHBondContact O-OH 2.85Å; F217-Y235 VanDerWaalsContact O-OH 3.14Å; I218-Y235 WeakPolarHBondContact CG2-OH 3.41Å; Y235-N237 HydrophobicContact CD2-CB 4.33Å; Y235-N237 HydrophobicContact CE2-CB 4.04Å; Y235-N237 PolarHBondContact O-N 2.88Å; Y235-L243 HydrophobicContact CD2-CD1 4.34Å; Y235-L243 HydrophobicContact CE2-CD1 3.94Å; Y235-I256 HydrophobicContact CD1-CG2 3.89Å; Y235-I256 HydrophobicContact CD2-CG2 4.32Å; Y235-I256 HydrophobicContact CE1-CD1 4.27Å; Y235-I256 HydrophobicContact CE1-CG2 4.08Å; Y235-I256 HydrophobicContact CE2-CD1 3.9Å; Y235-I256 HydrophobicContact CG-CG2 4Å; Y235-H264 WeakPolarHBondContact CB-CD2 3.34Å; Y235-H264 WeakPolarHBondContact CB-NE2 3.35Å; Y235-W266 AromaticContact CD1-CH2 3.65Å; Y235-W266 HydrophobicContact CD1-CH2 3.65Å; Y235-W266 HydrophobicContact CD1-CZ2 4.1Å; Y235-W266 HydrophobicContact CE1-CH2 4.26Å; Y235-W266 HydrophobicContact CG-CH2 4.48Å
236	A	96.3	Very high	96.6	Very high	39 Å²	39	46.1 Å²	46.1	32%	0.322	29%	0.291	S	S	.	.			trans	-76.1	125.8	-178	0	0	0	0	0	111	E259 D260	A236-E259 HydrophobicContact CB-CB 4.27Å; A236-E259 VanDerWaalsContact O-CB 3.27Å; A236-E259 WeakPolarHBondContact O-CB 3.23Å; A236-E259 PolarHBondContact O-N 2.95Å; A236-D260 HydrophobicContact CB-CB 4.25Å
237	N	96.8	Very high	96.6	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.027	29%	0.288	C	S	.	.			trans	-155	56	166.4	-163.5	22.1	0	0	0	111.5	N214 G215 S216 Y235 A240 V241 L243	N214-N237 VanDerWaalsContact C-ND2 3.3Å; N214-N237 PolarHBondContact O-ND2 2.9Å; G215-N237 WeakPolarHBondContact O-CB 3.43Å; G215-N237 PolarHBondContact O-ND2 3.23Å; S216-N237 PolarHBondContact OG-O 2.88Å; Y235-N237 HydrophobicContact CD2-CB 4.33Å; Y235-N237 HydrophobicContact CE2-CB 4.04Å; Y235-N237 PolarHBondContact O-N 2.88Å; N237-A240 PolarHBondContact O-N 2.74Å; N237-V241 PolarHBondContact ND2-O 3.17Å; N237-V241 WeakPolarHBondContact OD1-CB 3.43Å; N237-V241 PolarHBondContact OD1-N 2.8Å; N237-L243 HydrophobicContact CB-CD1 3.85Å; N237-L243 VanDerWaalsContact CG-CD1 3.44Å; N237-L243 WeakPolarHBondContact ND2-CD1 3.27Å
238	S	95	Very high	96.6	Very high	106 Å²	106	42.1 Å²	42.1	74%	0.741	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-30.7	-176.5	63.3	0	0	0	0	113.4	A240 E259	S238-A240 PolarHBondContact O-N 3.33Å; S238-E259 PolarHBondContact N-OE2 2.97Å; S238-E259 PolarHBondContact OG-OE2 2.79Å
239	K	95.2	Very high	96.6	Very high	160 Å²	160	41.2 Å²	41.2	70%	0.696	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	9.5	178.2	-66.7	-174.3	-167.4	108.7	0	114	V241 E259	K239-V241 VanDerWaalsContact C-N 3.28Å; K239-V241 HydrophobicContact CB-CG2 4.16Å; K239-V241 PolarHBondContact O-N 2.96Å; K239-E259 WeakPolarHBondContact CD-OE1 3.48Å; K239-E259 VanDerWaalsContact CE-OE1 3.3Å; K239-E259 WeakPolarHBondContact CE-OE1 3.24Å; K239-E259 WeakPolarHBondContact CG-OE1 3.42Å; K239-E259 PolarHBondContact N-OE2 2.86Å; K239-E259 IonicContact NZ-OE1 2.69Å; K239-E259 PolarHBondContact NZ-OE1 3.13Å
240	A	95.5	Very high	96.5	Very high	45 Å²	45	39.9 Å²	39.9	37%	0.372	25%	0.252	S	S	.	.			trans	50.1	46.5	-175.7	0	0	0	0	0	113.7	N214 N237 S238	N214-A240 HydrophobicContact CB-CB 4.33Å; N214-A240 WeakPolarHBondContact O-CA 3.03Å; N214-A240 WeakPolarHBondContact O-CB 3.21Å; N237-A240 PolarHBondContact O-N 2.74Å; S238-A240 PolarHBondContact O-N 3.33Å
241	V	95.3	Very high	96.5	Very high	29 Å²	29	38.4 Å²	38.4	18%	0.176	25%	0.247	C	C	.	.			trans	-66.4	141.5	176.9	-176.5	0	0	0	0	108.7	N237 K239 L243 E259 P284	N237-V241 PolarHBondContact ND2-O 3.17Å; N237-V241 WeakPolarHBondContact OD1-CB 3.43Å; N237-V241 PolarHBondContact OD1-N 2.8Å; K239-V241 VanDerWaalsContact C-N 3.28Å; K239-V241 HydrophobicContact CB-CG2 4.16Å; K239-V241 PolarHBondContact O-N 2.96Å; V241-L243 HydrophobicContact CB-CD2 4.23Å; V241-L243 HydrophobicContact CB-CG 4.45Å; V241-L243 HydrophobicContact CG1-CD2 4Å; V241-L243 PolarHBondContact O-N 2.96Å; V241-L243 VanDerWaalsContact O-N 3.1Å; V241-E259 HydrophobicContact CG2-CG 4.26Å; V241-P284 HydrophobicContact CG1-CB 4.08Å; V241-P284 HydrophobicContact CG2-CB 4.39Å; V241-P284 HydrophobicContact CG2-CG 4.27Å
242	T	95.3	Very high	96.4	Very high	78 Å²	78	38.3 Å²	38.3	48%	0.479	24%	0.241	S	C	.	.			trans	-67.9	106.2	169	-58	0	0	0	0	108.9	T198	T198-T242 HydrophobicContact CG2-CG2 3.83Å
243	L	96.1	Very high	96.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	24%	0.24	C	C	.	.			trans	-110.2	144.1	176	-55.1	172.6	0	0	0	109.2	T198 Y235 N237 V241 I256 G257 I285	T198-L243 PolarHBondContact OG1-O 3.24Å; Y235-L243 HydrophobicContact CD2-CD1 4.34Å; Y235-L243 HydrophobicContact CE2-CD1 3.94Å; N237-L243 HydrophobicContact CB-CD1 3.85Å; N237-L243 VanDerWaalsContact CG-CD1 3.44Å; N237-L243 WeakPolarHBondContact ND2-CD1 3.27Å; V241-L243 HydrophobicContact CB-CD2 4.23Å; V241-L243 HydrophobicContact CB-CG 4.45Å; V241-L243 HydrophobicContact CG1-CD2 4Å; V241-L243 PolarHBondContact O-N 2.96Å; V241-L243 VanDerWaalsContact O-N 3.1Å; L243-I256 HydrophobicContact CB-CD1 4.09Å; L243-I256 HydrophobicContact CB-CG1 4.41Å; L243-I256 HydrophobicContact CD1-CD1 4.41Å; L243-G257 WeakPolarHBondContact CD1-O 3.42Å; L243-I285 WeakPolarHBondContact CD2-O 3.44Å
244	E	95.8	Very high	96.6	Very high	31 Å²	31	37 Å²	37	15%	0.145	23%	0.228	C	C	.	.			trans	-115.9	112.9	176.2	-168.8	-178.9	165.2	0	0	110	R70 K201 T286 C287 L288	R70-E244 IonicContact NH2-OE1 2.69Å; K201-E244 WeakPolarHBondContact CE-OE1 3.38Å; K201-E244 IonicContact NZ-OE1 3.82Å; K201-E244 PolarHBondContact NZ-OE1 2.64Å; E244-T286 PolarHBondContact N-O 2.85Å; E244-C287 HydrophobicContact CB-CB 4.44Å; E244-L288 WeakPolarHBondContact O-CD2 3.5Å
245	A	98	Very high	96.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.			trans	-80	158.6	172.5	0	0	0	0	0	111.1	K201 L210 S212 I218 M255 I256	K201-A245 PolarHBondContact NZ-O 2.81Å; L210-A245 HydrophobicContact CD2-CB 3.69Å; L210-A245 HydrophobicContact CG-CB 4.26Å; S212-A245 WeakPolarHBondContact OG-CB 3.38Å; S212-A245 PolarHBondContact OG-N 3.11Å; I218-A245 HydrophobicContact CD1-CB 3.74Å; I218-A245 HydrophobicContact CG2-CB 4.33Å; A245-M255 VanDerWaalsContact CA-O 3.29Å; A245-M255 WeakPolarHBondContact CA-O 3.29Å; A245-M255 WeakPolarHBondContact CB-O 3.4Å; A245-I256 HydrophobicContact CB-CB 4.09Å; A245-I256 HydrophobicContact CB-CD1 4.11Å; A245-I256 HydrophobicContact CB-CG1 3.89Å
246	S	97.9	Very high	96.8	Very high	5 Å²	5	33.6 Å²	33.6	4%	0.035	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	157.9	177.8	54.7	0	0	0	0	112.2	M255 L288	S246-M255 PolarHBondContact N-O 3.39Å; S246-M255 PolarHBondContact O-N 3.48Å; S246-L288 VanDerWaalsContact CB-O 3.31Å; S246-L288 WeakPolarHBondContact CB-O 3.38Å; S246-L288 PolarHBondContact OG-O 2.84Å
247	F	98.3	Very high	96.9	Very high	18 Å²	18	31.7 Å²	31.7	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	154	168.2	-69.3	-80	0	0	0	110.4	K201 L208 L210 L220 F253 I254	K201-F247 HydrophobicContact CB-CE2 4.5Å; L208-F247 HydrophobicContact CB-CE1 4.49Å; L208-F247 HydrophobicContact CB-CZ 4.16Å; L208-F247 HydrophobicContact CD1-CE1 4.44Å; L210-F247 HydrophobicContact CB-CD2 4.33Å; L210-F247 HydrophobicContact CB-CE2 3.39Å; L210-F247 HydrophobicContact CB-CZ 3.52Å; L210-F247 HydrophobicContact CD2-CD2 4.24Å; L210-F247 HydrophobicContact CD2-CE2 4.07Å; L210-F247 HydrophobicContact CD2-CZ 4.36Å; L210-F247 HydrophobicContact CG-CE2 4.38Å; L210-F247 HydrophobicContact CG-CZ 4.48Å; L220-F247 HydrophobicContact CD1-CE1 3.6Å; L220-F247 HydrophobicContact CD1-CZ 3.53Å; F247-F253 CarbonylContact C-O 3.57Å; F247-F253 WeakPolarHBondContact CA-O 3.35Å; F247-I254 HydrophobicContact CD1-CD1 4.23Å; F247-I254 HydrophobicContact CD1-CG1 4.03Å; F247-I254 HydrophobicContact CE1-CD1 4.05Å; F247-I254 HydrophobicContact CE1-CG1 3.89Å
248	T	97.5	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.			trans	-68.4	158.5	156.2	53	0	0	0	0	110.9	L3 D250 S251 F253 M255 F290	L3-T248 HydrophobicContact CD1-CG2 3.77Å; T248-D250 WeakPolarHBondContact CB-OD1 3.4Å; T248-D250 PolarHBondContact O-N 2.94Å; T248-D250 VanDerWaalsContact O-N 3.15Å; T248-D250 PolarHBondContact OG1-OD1 3.38Å; T248-S251 WeakPolarHBondContact O-CA 3.2Å; T248-S251 PolarHBondContact O-N 3.18Å; T248-F253 HydrophobicContact CG2-CB 3.73Å; T248-F253 HydrophobicContact CG2-CD2 4.33Å; T248-F253 HydrophobicContact CG2-CG 4.47Å; T248-F253 PolarHBondContact N-O 3.11Å; T248-F253 PolarHBondContact OG1-N 3.3Å; T248-F253 PolarHBondContact OG1-O 3.5Å; T248-M255 HydrophobicContact CG2-CG 4.44Å; T248-M255 HydrophobicContact CG2-SD 3.93Å; T248-F290 HydrophobicContact CG2-CD2 3.97Å; T248-F290 HydrophobicContact CG2-CE2 4.33Å
249	P	96.2	Very high	97	Very high	42 Å²	42	27.5 Å²	27.5	27%	0.273	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.8	-172.7	-24.3	36.2	0	0	0	114.1	N204 S251 F290	N204-P249 WeakPolarHBondContact ND2-CA 3.49Å; N204-P249 PolarHBondContact ND2-O 3.11Å; P249-S251 VanDerWaalsContact C-N 3.28Å; P249-F290 VanDerWaalsContact CD-CD1 3.46Å; P249-F290 HydrophobicContact CG-CB 3.97Å; P249-F290 HydrophobicContact CG-CD1 3.53Å; P249-F290 HydrophobicContact CG-CE1 4.35Å; P249-F290 HydrophobicContact CG-CG 4.01Å
250	D	95.9	Very high	97.1	Very high	56 Å²	56	23.5 Å²	23.5	30%	0.299	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	4	175.7	63.9	-3.1	0	0	0	113.9	T248 Q252	T248-D250 WeakPolarHBondContact CB-OD1 3.4Å; T248-D250 PolarHBondContact O-N 2.94Å; T248-D250 VanDerWaalsContact O-N 3.15Å; T248-D250 PolarHBondContact OG1-OD1 3.38Å; D250-Q252 HydrophobicContact CB-CG 4.41Å; D250-Q252 PolarHBondContact O-N 2.64Å; D250-Q252 VanDerWaalsContact O-N 3.15Å; D250-Q252 PolarHBondContact OD1-N 2.69Å
251	S	97.2	Very high	97.2	Very high	11 Å²	11	21.4 Å²	21.4	8%	0.077	12%	0.117	C	C	.	.	S	Bend	trans	62.5	11	-179.4	-53	0	0	0	0	115.6	N204 D205 T248 P249	N204-S251 PolarHBondContact N-OG 3.09Å; D205-S251 PolarHBondContact N-OG 2.97Å; T248-S251 WeakPolarHBondContact O-CA 3.2Å; T248-S251 PolarHBondContact O-N 3.18Å; P249-S251 VanDerWaalsContact C-N 3.28Å
252	Q	97.2	Very high	97.3	Very high	77 Å²	77	23.1 Å²	23.1	36%	0.36	12%	0.122	S	C	.	.			trans	-85.4	-26.3	-174.8	-68.9	-177.8	18.8	0	0	113.6	D250 G268	D250-Q252 HydrophobicContact CB-CG 4.41Å; D250-Q252 PolarHBondContact O-N 2.64Å; D250-Q252 VanDerWaalsContact O-N 3.15Å; D250-Q252 PolarHBondContact OD1-N 2.69Å; Q252-G268 PolarHBondContact O-N 3Å
253	F	98.2	Very high	97.4	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	148.4	-174.7	-55.5	-91.4	0	0	0	112	L3 D5 L8 F247 T248 V265 W266 N267 V274	L3-F253 HydrophobicContact CB-CD2 4.28Å; L3-F253 HydrophobicContact CB-CE2 3.97Å; D5-F253 WeakPolarHBondContact OD1-CE1 3.15Å; L8-F253 HydrophobicContact CD1-CB 4.02Å; L8-F253 HydrophobicContact CD1-CD1 3.26Å; L8-F253 HydrophobicContact CD1-CD2 3.5Å; L8-F253 VanDerWaalsContact CD1-CD2 3.5Å; L8-F253 HydrophobicContact CD1-CE1 3.42Å; L8-F253 VanDerWaalsContact CD1-CE1 3.42Å; L8-F253 HydrophobicContact CD1-CE2 3.65Å; L8-F253 HydrophobicContact CD1-CG 3.3Å; L8-F253 HydrophobicContact CD1-CZ 3.61Å; F247-F253 CarbonylContact C-O 3.57Å; F247-F253 WeakPolarHBondContact CA-O 3.35Å; T248-F253 HydrophobicContact CG2-CB 3.73Å; T248-F253 HydrophobicContact CG2-CD2 4.33Å; T248-F253 HydrophobicContact CG2-CG 4.47Å; T248-F253 PolarHBondContact N-O 3.11Å; T248-F253 PolarHBondContact OG1-N 3.3Å; T248-F253 PolarHBondContact OG1-O 3.5Å; F253-V265 HydrophobicContact CB-CG1 4.08Å; F253-V265 HydrophobicContact CD1-CG1 4.41Å; F253-W266 CarbonylContact C-O 3.54Å; F253-W266 WeakPolarHBondContact CA-O 3.27Å; F253-W266 WeakPolarHBondContact CB-O 3.48Å; F253-N267 HydrophobicContact CD1-CB 4.15Å; F253-N267 HydrophobicContact CE1-CB 4.05Å; F253-V274 HydrophobicContact CD1-CG2 4.1Å; F253-V274 HydrophobicContact CE1-CG2 3.94Å
254	I	98.6	Very high	97.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.1	177.2	-66.4	75.6	0	0	0	107.1	L210 I218 L220 F232 F247 V265 W266	L210-I254 HydrophobicContact CD1-CG1 4.42Å; L210-I254 HydrophobicContact CD1-CG2 3.92Å; L210-I254 HydrophobicContact CD2-CG2 4.04Å; I218-I254 HydrophobicContact CD1-CG2 3.57Å; L220-I254 HydrophobicContact CD1-CD1 4.42Å; L220-I254 HydrophobicContact CD1-CG1 4.39Å; L220-I254 HydrophobicContact CD2-CD1 3.96Å; F232-I254 HydrophobicContact CD2-CG2 4.3Å; F232-I254 HydrophobicContact CE2-CB 4.16Å; F232-I254 HydrophobicContact CE2-CD1 4.05Å; F232-I254 HydrophobicContact CE2-CG1 3.92Å; F232-I254 HydrophobicContact CE2-CG2 4.37Å; F232-I254 HydrophobicContact CZ-CD1 4.17Å; F247-I254 HydrophobicContact CD1-CD1 4.23Å; F247-I254 HydrophobicContact CD1-CG1 4.03Å; F247-I254 HydrophobicContact CE1-CD1 4.05Å; F247-I254 HydrophobicContact CE1-CG1 3.89Å; I254-V265 CarbonylContact O-C 3.5Å; I254-V265 WeakPolarHBondContact O-CA 3.32Å; I254-W266 PolarHBondContact N-O 2.99Å; I254-W266 PolarHBondContact O-N 2.91Å
255	M	98.5	Very high	97.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.7	-179.4	-54.6	178.3	63.3	0	0	109.6	A245 S246 T248 I263 H264 V265 L288 F290 F297	A245-M255 VanDerWaalsContact CA-O 3.29Å; A245-M255 WeakPolarHBondContact CA-O 3.29Å; A245-M255 WeakPolarHBondContact CB-O 3.4Å; S246-M255 PolarHBondContact N-O 3.39Å; S246-M255 PolarHBondContact O-N 3.48Å; T248-M255 HydrophobicContact CG2-CG 4.44Å; T248-M255 HydrophobicContact CG2-SD 3.93Å; M255-I263 HydrophobicContact CE-CG2 4.05Å; M255-H264 WeakPolarHBondContact CA-O 3.16Å; M255-V265 HydrophobicContact CE-CG2 4.17Å; M255-V265 HydrophobicContact CG-CG1 4.04Å; M255-V265 HydrophobicContact CG-CG2 4.04Å; M255-L288 HydrophobicContact CB-CD1 3.37Å; M255-L288 HydrophobicContact CE-CD1 4.2Å; M255-F290 HydrophobicContact SD-CD2 3.92Å; M255-F297 HydrophobicContact CE-CD1 3.86Å; M255-F297 HydrophobicContact CE-CD2 4.05Å; M255-F297 HydrophobicContact CE-CE1 3.78Å; M255-F297 HydrophobicContact CE-CE2 4.01Å; M255-F297 HydrophobicContact CE-CG 3.99Å; M255-F297 HydrophobicContact CE-CZ 3.87Å
256	I	98.3	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	143.9	169.3	-155.1	179.5	0	0	0	111.5	I218 Y235 L243 A245 I263 H264 W266	I218-I256 HydrophobicContact CD1-CB 4.23Å; I218-I256 HydrophobicContact CD1-CD1 4.3Å; I218-I256 HydrophobicContact CG2-CD1 3.59Å; Y235-I256 HydrophobicContact CD1-CG2 3.89Å; Y235-I256 HydrophobicContact CD2-CG2 4.32Å; Y235-I256 HydrophobicContact CE1-CD1 4.27Å; Y235-I256 HydrophobicContact CE1-CG2 4.08Å; Y235-I256 HydrophobicContact CE2-CD1 3.9Å; Y235-I256 HydrophobicContact CG-CG2 4Å; L243-I256 HydrophobicContact CB-CD1 4.09Å; L243-I256 HydrophobicContact CB-CG1 4.41Å; L243-I256 HydrophobicContact CD1-CD1 4.41Å; A245-I256 HydrophobicContact CB-CB 4.09Å; A245-I256 HydrophobicContact CB-CD1 4.11Å; A245-I256 HydrophobicContact CB-CG1 3.89Å; I256-I263 CarbonylContact O-C 3.56Å; I256-I263 WeakPolarHBondContact O-CA 3.32Å; I256-H264 HydrophobicContact CG2-CB 4.26Å; I256-H264 PolarHBondContact N-O 2.9Å; I256-H264 PolarHBondContact O-N 3.17Å; I256-W266 HydrophobicContact CB-CZ3 4.3Å; I256-W266 HydrophobicContact CG2-CH2 3.59Å; I256-W266 HydrophobicContact CG2-CZ3 3.54Å
257	G	97.8	Very high	97.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	150.9	168.2	0	0	0	0	0	110.6	L243 K262	L243-G257 WeakPolarHBondContact CD1-O 3.42Å; G257-K262 CarbonylContact C-O 3.55Å; G257-K262 WeakPolarHBondContact CA-O 2.97Å
258	S	97.6	Very high	97.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.			trans	-116.1	166.4	-178.6	60.6	0	0	0	0	112.4	D260 G261 K262 P284 I285	S258-D260 WeakPolarHBondContact CB-OD1 3.3Å; S258-D260 PolarHBondContact O-N 3.05Å; S258-D260 PolarHBondContact OG-OD1 3.24Å; S258-G261 PolarHBondContact O-N 2.77Å; S258-K262 PolarHBondContact N-O 2.87Å; S258-K262 WeakPolarHBondContact OG-CA 3.43Å; S258-K262 PolarHBondContact OG-N 2.77Å; S258-K262 VanDerWaalsContact OG-N 3.08Å; S258-K262 PolarHBondContact OG-O 2.82Å; S258-P284 WeakPolarHBondContact O-CA 3.35Å; S258-I285 PolarHBondContact O-N 3.08Å; S258-I285 VanDerWaalsContact O-N 3.09Å
259	E	97.1	Very high	97.7	Very high	23 Å²	23	27.4 Å²	27.4	11%	0.107	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.8	174.7	-165.3	-166.7	154.6	0	0	112.5	A236 S238 K239 V241 G261 P284	A236-E259 HydrophobicContact CB-CB 4.27Å; A236-E259 VanDerWaalsContact O-CB 3.27Å; A236-E259 WeakPolarHBondContact O-CB 3.23Å; A236-E259 PolarHBondContact O-N 2.95Å; S238-E259 PolarHBondContact N-OE2 2.97Å; S238-E259 PolarHBondContact OG-OE2 2.79Å; K239-E259 WeakPolarHBondContact CD-OE1 3.48Å; K239-E259 VanDerWaalsContact CE-OE1 3.3Å; K239-E259 WeakPolarHBondContact CE-OE1 3.24Å; K239-E259 WeakPolarHBondContact CG-OE1 3.42Å; K239-E259 PolarHBondContact N-OE2 2.86Å; K239-E259 IonicContact NZ-OE1 2.69Å; K239-E259 PolarHBondContact NZ-OE1 3.13Å; V241-E259 HydrophobicContact CG2-CG 4.26Å; E259-G261 VanDerWaalsContact C-N 3.27Å; E259-G261 PolarHBondContact O-N 2.99Å; E259-P284 HydrophobicContact CG-CG 4.05Å
260	D	96.4	Very high	97.7	Very high	75 Å²	75	28.2 Å²	28.2	40%	0.401	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	13.5	178.7	71.9	-36.4	0	0	0	113.8	A236 S258 K262	A236-D260 HydrophobicContact CB-CB 4.25Å; S258-D260 WeakPolarHBondContact CB-OD1 3.3Å; S258-D260 PolarHBondContact O-N 3.05Å; S258-D260 PolarHBondContact OG-OD1 3.24Å; D260-K262 VanDerWaalsContact C-N 3.35Å; D260-K262 PolarHBondContact O-N 3.19Å; D260-K262 WeakPolarHBondContact OD2-CD 3.25Å; D260-K262 WeakPolarHBondContact OD2-CE 3.5Å; D260-K262 IonicContact OD2-NZ 3.84Å; D260-K262 PolarHBondContact OD2-NZ 3.36Å
261	G	97.1	Very high	97.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.01	14%	0.141	C	C	.	.	S	Bend	trans	77.6	17	173.1	0	0	0	0	0	114.8	S258 E259 I285	S258-G261 PolarHBondContact O-N 2.77Å; E259-G261 VanDerWaalsContact C-N 3.27Å; E259-G261 PolarHBondContact O-N 2.99Å; G261-I285 WeakPolarHBondContact O-CD1 3.3Å
262	K	98.1	Very high	97.8	Very high	65 Å²	65	31.1 Å²	31.1	28%	0.283	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	161.2	177.1	-63	-175.2	-172.9	126.2	0	111.3	G257 S258 D260 V276 L277 D278	G257-K262 CarbonylContact C-O 3.55Å; G257-K262 WeakPolarHBondContact CA-O 2.97Å; S258-K262 PolarHBondContact N-O 2.87Å; S258-K262 WeakPolarHBondContact OG-CA 3.43Å; S258-K262 PolarHBondContact OG-N 2.77Å; S258-K262 VanDerWaalsContact OG-N 3.08Å; S258-K262 PolarHBondContact OG-O 2.82Å; D260-K262 VanDerWaalsContact C-N 3.35Å; D260-K262 PolarHBondContact O-N 3.19Å; D260-K262 WeakPolarHBondContact OD2-CD 3.25Å; D260-K262 WeakPolarHBondContact OD2-CE 3.5Å; D260-K262 IonicContact OD2-NZ 3.84Å; D260-K262 PolarHBondContact OD2-NZ 3.36Å; K262-V276 HydrophobicContact CB-CG1 4.15Å; K262-V276 HydrophobicContact CD-CG1 3.75Å; K262-V276 HydrophobicContact CG-CG1 4.49Å; K262-L277 CarbonylContact C-O 3.59Å; K262-L277 WeakPolarHBondContact CA-O 3.16Å; K262-D278 HydrophobicContact CG-CB 4.41Å
263	I	98.6	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126	173.4	-57.2	175.1	0	0	0	108.2	M255 I256 V265 V276 L277 I285 L288 F297 W307	M255-I263 HydrophobicContact CE-CG2 4.05Å; I256-I263 CarbonylContact O-C 3.56Å; I256-I263 WeakPolarHBondContact O-CA 3.32Å; I263-V265 HydrophobicContact CG2-CG2 4.3Å; I263-V276 CarbonylContact O-C 3.48Å; I263-V276 WeakPolarHBondContact O-CA 3.2Å; I263-L277 HydrophobicContact CB-CB 4.23Å; I263-L277 PolarHBondContact N-O 2.53Å; I263-L277 PolarHBondContact O-N 2.78Å; I263-I285 HydrophobicContact CD1-CD1 4.12Å; I263-I285 HydrophobicContact CG1-CD1 3.48Å; I263-I285 VanDerWaalsContact CG1-CD1 3.48Å; I263-L288 HydrophobicContact CG2-CD1 3.93Å; I263-F297 HydrophobicContact CD1-CE2 3.46Å; I263-F297 VanDerWaalsContact CD1-CE2 3.46Å; I263-F297 HydrophobicContact CD1-CZ 3.97Å; I263-W307 HydrophobicContact CD1-CH2 4.18Å; I263-W307 HydrophobicContact CD1-CZ2 3.52Å; I263-W307 HydrophobicContact CG1-CZ2 4.38Å
264	H	98.6	Very high	97.8	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.056	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.4	176.9	-63.1	-96.8	0	0	0	109.5	Y235 M255 I256 W266	Y235-H264 WeakPolarHBondContact CB-CD2 3.34Å; Y235-H264 WeakPolarHBondContact CB-NE2 3.35Å; M255-H264 WeakPolarHBondContact CA-O 3.16Å; I256-H264 HydrophobicContact CG2-CB 4.26Å; I256-H264 PolarHBondContact N-O 2.9Å; I256-H264 PolarHBondContact O-N 3.17Å; H264-W266 HydrophobicContact CB-CE3 4.38Å; H264-W266 HydrophobicContact CB-CH2 3.24Å; H264-W266 HydrophobicContact CB-CZ2 3.83Å; H264-W266 HydrophobicContact CB-CZ3 3.58Å; H264-W266 WeakPolarHBondContact O-CZ3 3.47Å
265	V	98.6	Very high	97.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.7	-178	-171.5	0	0	0	0	109.4	L8 F253 I254 M255 I263 K273 V274 A275 L277	L8-V265 HydrophobicContact CD1-CG1 3.99Å; L8-V265 HydrophobicContact CD2-CG1 4.4Å; F253-V265 HydrophobicContact CB-CG1 4.08Å; F253-V265 HydrophobicContact CD1-CG1 4.41Å; I254-V265 CarbonylContact O-C 3.5Å; I254-V265 WeakPolarHBondContact O-CA 3.32Å; M255-V265 HydrophobicContact CE-CG2 4.17Å; M255-V265 HydrophobicContact CG-CG1 4.04Å; M255-V265 HydrophobicContact CG-CG2 4.04Å; I263-V265 HydrophobicContact CG2-CG2 4.3Å; V265-K273 CarbonylContact O-C 3.55Å; V265-V274 PolarHBondContact O-N 3.48Å; V265-A275 HydrophobicContact CB-CB 4.23Å; V265-A275 HydrophobicContact CG2-CB 4.35Å; V265-A275 PolarHBondContact N-O 2.74Å; V265-A275 PolarHBondContact O-N 3.26Å; V265-L277 HydrophobicContact CG2-CD1 4.5Å
266	W	98.7	Very high	97.7	Very high	8 Å²	8	35 Å²	35	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.5	174.5	-60.3	-102.7	0	0	0	110.9	I218 F232 G233 Y235 F253 I254 I256 H264 I272 K273	I218-W266 HydrophobicContact CD1-CZ3 4.37Å; F232-W266 HydrophobicContact CB-CD2 3.92Å; F232-W266 HydrophobicContact CB-CE3 4.25Å; F232-W266 HydrophobicContact CB-CG 4.32Å; F232-W266 HydrophobicContact CB-CH2 4.38Å; F232-W266 HydrophobicContact CB-CZ2 4.06Å; F232-W266 HydrophobicContact CB-CZ3 4.47Å; F232-W266 HydrophobicContact CD1-CB 3.67Å; F232-W266 AromaticContact CD1-CD1 3.42Å; F232-W266 VanDerWaalsContact CD1-CD1 3.42Å; F232-W266 AromaticContact CD1-CD2 3.91Å; F232-W266 HydrophobicContact CD1-CD2 3.91Å; F232-W266 AromaticContact CD1-CG 3.41Å; F232-W266 HydrophobicContact CD1-CG 3.41Å; F232-W266 VanDerWaalsContact CD1-CG 3.41Å; F232-W266 AromaticContact CD1-NE1 3.91Å; F232-W266 HydrophobicContact CE1-CB 3.51Å; F232-W266 AromaticContact CE1-CD1 3.99Å; F232-W266 AromaticContact CE1-CG 3.81Å; F232-W266 HydrophobicContact CE1-CG 3.81Å; F232-W266 HydrophobicContact CG-CB 4.36Å; F232-W266 HydrophobicContact CG-CD2 4.03Å; F232-W266 HydrophobicContact CG-CE3 4.42Å; F232-W266 AromaticContact CG-CG 4Å; F232-W266 HydrophobicContact CG-CG 4Å; F232-W266 HydrophobicContact CZ-CB 4.14Å; G233-W266 WeakPolarHBondContact O-CZ2 3.36Å; Y235-W266 AromaticContact CD1-CH2 3.65Å; Y235-W266 HydrophobicContact CD1-CH2 3.65Å; Y235-W266 HydrophobicContact CD1-CZ2 4.1Å; Y235-W266 HydrophobicContact CE1-CH2 4.26Å; Y235-W266 HydrophobicContact CG-CH2 4.48Å; F253-W266 CarbonylContact C-O 3.54Å; F253-W266 WeakPolarHBondContact CA-O 3.27Å; F253-W266 WeakPolarHBondContact CB-O 3.48Å; I254-W266 PolarHBondContact N-O 2.99Å; I254-W266 PolarHBondContact O-N 2.91Å; I256-W266 HydrophobicContact CB-CZ3 4.3Å; I256-W266 HydrophobicContact CG2-CH2 3.59Å; I256-W266 HydrophobicContact CG2-CZ3 3.54Å; H264-W266 HydrophobicContact CB-CE3 4.38Å; H264-W266 HydrophobicContact CB-CH2 3.24Å; H264-W266 HydrophobicContact CB-CZ2 3.83Å; H264-W266 HydrophobicContact CB-CZ3 3.58Å; H264-W266 WeakPolarHBondContact O-CZ3 3.47Å; W266-I272 CarbonylContact C-O 3.58Å; W266-I272 VanDerWaalsContact CA-O 3.27Å; W266-I272 WeakPolarHBondContact CA-O 3.32Å; W266-K273 VanDerWaalsContact CD1-CA 3.48Å; W266-K273 HydrophobicContact CG-CB 4.46Å
267	N	98.1	Very high	97.7	Very high	28 Å²	28	35.3 Å²	35.3	15%	0.15	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	124.4	166	177.9	-66.9	0	0	0	108.6	F253 E269 S270 G271 I272 V274	F253-N267 HydrophobicContact CD1-CB 4.15Å; F253-N267 HydrophobicContact CE1-CB 4.05Å; N267-E269 VanDerWaalsContact C-N 3.32Å; N267-E269 PolarHBondContact O-N 3.02Å; N267-E269 PolarHBondContact OD1-N 2.9Å; N267-S270 WeakPolarHBondContact CB-OG 3.11Å; N267-S270 VanDerWaalsContact CG-OG 3.27Å; N267-S270 PolarHBondContact OD1-N 2.85Å; N267-S270 PolarHBondContact OD1-OG 2.83Å; N267-G271 WeakPolarHBondContact O-CA 3.5Å; N267-G271 PolarHBondContact O-N 3.45Å; N267-I272 PolarHBondContact N-O 3.01Å; N267-V274 HydrophobicContact CB-CG2 3.75Å
268	G	97.4	Very high	97.7	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-23.1	-173.5	0	0	0	0	0	114.6	H230 Q252	H230-G268 PolarHBondContact CD2-O 3.26Å; H230-G268 PolarHBondContact NE2-O 2.98Å; Q252-G268 PolarHBondContact O-N 3Å
269	E	96.7	Very high	97.5	Very high	171 Å²	171	39.4 Å²	39.4	80%	0.799	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-52.9	178.6	-177	174	-174.8	0	0	111.1	H230 N267	H230-E269 PolarHBondContact NE2-O 3.01Å; N267-E269 VanDerWaalsContact C-N 3.32Å; N267-E269 PolarHBondContact O-N 3.02Å; N267-E269 PolarHBondContact OD1-N 2.9Å
270	S	97	Very high	97.4	Very high	60 Å²	60	45.9 Å²	45.9	42%	0.42	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-20.1	-175.2	63.2	0	0	0	0	114.5	N267 I272	N267-S270 WeakPolarHBondContact CB-OG 3.11Å; N267-S270 VanDerWaalsContact CG-OG 3.27Å; N267-S270 PolarHBondContact OD1-N 2.85Å; N267-S270 PolarHBondContact OD1-OG 2.83Å; S270-I272 PolarHBondContact O-N 2.87Å; S270-I272 PolarHBondContact OG-N 2.84Å
271	G	97.3	Very high	97.4	Very high	22 Å²	22	43.5 Å²	43.5	23%	0.227	23%	0.229	C	C	.	.			trans	82.1	-5.2	-175.1	0	0	0	0	0	114.5	H230 N267	H230-G271 VanDerWaalsContact CE1-CA 3.42Å; H230-G271 WeakPolarHBondContact CE1-CA 3.37Å; H230-G271 PolarHBondContact CE1-N 3.49Å; H230-G271 WeakPolarHBondContact ND1-CA 3.36Å; H230-G271 PolarHBondContact NE2-N 2.83Å; N267-G271 WeakPolarHBondContact O-CA 3.5Å; N267-G271 PolarHBondContact O-N 3.45Å
272	I	97.7	Very high	97.3	Very high	105 Å²	105	48.3 Å²	48.3	54%	0.538	26%	0.258	S	S	.	.			trans	-76.7	136.2	-170.7	-62.1	172.9	0	0	0	110.6	W266 N267 S270 V274	W266-I272 CarbonylContact C-O 3.58Å; W266-I272 VanDerWaalsContact CA-O 3.27Å; W266-I272 WeakPolarHBondContact CA-O 3.32Å; N267-I272 PolarHBondContact N-O 3.01Å; S270-I272 PolarHBondContact O-N 2.87Å; S270-I272 PolarHBondContact OG-N 2.84Å; I272-V274 PolarHBondContact O-N 2.94Å
273	K	98.3	Very high	97.2	Very high	71 Å²	71	46.1 Å²	46.1	31%	0.309	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	113.1	171.1	-171.5	171.8	-73.6	174.4	0	109.4	G233 G234 V265 W266 V276	G233-K273 PolarHBondContact O-NZ 2.83Å; G234-K273 PolarHBondContact O-NZ 3.5Å; V265-K273 CarbonylContact O-C 3.55Å; W266-K273 VanDerWaalsContact CD1-CA 3.48Å; W266-K273 HydrophobicContact CG-CB 4.46Å; K273-V276 HydrophobicContact CD-CG2 3.96Å
274	V	97.5	Very high	97.1	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-44.1	-173.3	172.8	0	0	0	0	111.4	D5 L8 R9 F253 V265 N267 I272	D5-V274 HydrophobicContact CB-CG1 3.76Å; L8-V274 HydrophobicContact CB-CG1 4.17Å; L8-V274 HydrophobicContact CD1-CG1 4.35Å; R9-V274 VanDerWaalsContact CZ-O 3.31Å; R9-V274 PolarHBondContact NE-O 2.93Å; R9-V274 PolarHBondContact NH2-O 2.85Å; F253-V274 HydrophobicContact CD1-CG2 4.1Å; F253-V274 HydrophobicContact CE1-CG2 3.94Å; V265-V274 PolarHBondContact O-N 3.48Å; N267-V274 HydrophobicContact CB-CG2 3.75Å; I272-V274 PolarHBondContact O-N 2.94Å
275	A	97.6	Very high	97.1	Very high	9 Å²	9	47.7 Å²	47.7	7%	0.074	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154.4	-175.1	0	0	0	0	0	112.2	R9 V265 L277	R9-A275 HydrophobicContact CG-CB 3.97Å; V265-A275 HydrophobicContact CB-CB 4.23Å; V265-A275 HydrophobicContact CG2-CB 4.35Å; V265-A275 PolarHBondContact N-O 2.74Å; V265-A275 PolarHBondContact O-N 3.26Å; A275-L277 HydrophobicContact CB-CD2 4.03Å; A275-L277 HydrophobicContact CB-CG 4.37Å
276	V	98.2	Very high	97	Very high	76 Å²	76	48.1 Å²	48.1	46%	0.461	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	110.2	163	-176.8	0	0	0	0	106.6	K262 I263 K273	K262-V276 HydrophobicContact CB-CG1 4.15Å; K262-V276 HydrophobicContact CD-CG1 3.75Å; K262-V276 HydrophobicContact CG-CG1 4.49Å; I263-V276 CarbonylContact O-C 3.48Å; I263-V276 WeakPolarHBondContact O-CA 3.2Å; K273-V276 HydrophobicContact CD-CG2 3.96Å
277	L	98.2	Very high	96.8	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.6	-176.1	-49.7	176.3	0	0	0	109.2	F11 K262 I263 V265 A275 F297 W307	F11-L277 HydrophobicContact CB-CD1 3.89Å; K262-L277 CarbonylContact C-O 3.59Å; K262-L277 WeakPolarHBondContact CA-O 3.16Å; I263-L277 HydrophobicContact CB-CB 4.23Å; I263-L277 PolarHBondContact N-O 2.53Å; I263-L277 PolarHBondContact O-N 2.78Å; V265-L277 HydrophobicContact CG2-CD1 4.5Å; A275-L277 HydrophobicContact CB-CD2 4.03Å; A275-L277 HydrophobicContact CB-CG 4.37Å; L277-F297 HydrophobicContact CD1-CE1 4.01Å; L277-F297 HydrophobicContact CD1-CZ 3.72Å; L277-W307 HydrophobicContact CB-CH2 3.85Å; L277-W307 HydrophobicContact CB-CZ3 3.69Å; L277-W307 HydrophobicContact CD1-CE3 4.47Å; L277-W307 HydrophobicContact CD1-CZ3 4.34Å
278	D	97.1	Very high	96.8	Very high	71 Å²	71	46.5 Å²	46.5	38%	0.38	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	106.8	178.4	-177.7	-2.1	0	0	0	109.5	K262 K280	K262-D278 HydrophobicContact CG-CB 4.41Å; D278-K280 WeakPolarHBondContact OD1-CD 3.43Å; D278-K280 PolarHBondContact OD1-N 3.29Å; D278-K280 IonicContact OD1-NZ 3.19Å; D278-K280 IonicContact OD2-NZ 2.9Å; D278-K280 PolarHBondContact OD2-NZ 2.89Å
279	G	94.2	Very high	96.8	Very high	14 Å²	14	47.4 Å²	47.4	14%	0.144	26%	0.263	C	S	.	.			trans	-97.8	7.4	-180	0	0	0	0	0	113.2	V13 H281 W307	V13-G279 VanDerWaalsContact CG2-CA 3.4Å; G279-H281 VanDerWaalsContact C-N 3.25Å; G279-H281 PolarHBondContact O-N 2.86Å; G279-W307 VanDerWaalsContact N-CH2 3.31Å
280	K	94.7	Very high	96.9	Very high	160 Å²	160	40.1 Å²	40.1	70%	0.696	23%	0.228	S	C	*	.			trans	54.7	40.8	-173.6	-51.2	-60.6	175.9	-166.6	0	112.6	D278	D278-K280 WeakPolarHBondContact OD1-CD 3.43Å; D278-K280 PolarHBondContact OD1-N 3.29Å; D278-K280 IonicContact OD1-NZ 3.19Å; D278-K280 IonicContact OD2-NZ 2.9Å; D278-K280 PolarHBondContact OD2-NZ 2.89Å
281	H	96.8	Very high	96.9	Very high	25 Å²	25	37.3 Å²	37.3	12%	0.116	21%	0.209	C	C	.	.			trans	-58.6	141.4	170.6	-80.5	-91.3	0	0	0	110.1	G279 G283 I285 S299 C301 W307	G279-H281 VanDerWaalsContact C-N 3.25Å; G279-H281 PolarHBondContact O-N 2.86Å; H281-G283 PolarHBondContact O-N 2.75Å; H281-I285 HydrophobicContact CB-CD1 4.35Å; H281-I285 HydrophobicContact CB-CG1 4.07Å; H281-I285 WeakPolarHBondContact CD2-CD1 3.44Å; H281-S299 PolarHBondContact CE1-OG 3.41Å; H281-S299 PolarHBondContact NE2-OG 2.97Å; H281-C301 PolarHBondContact ND1-SG 3.06Å; H281-W307 AromaticContact NE2-CZ2 3.98Å
282	T	94.4	Very high	96.7	Very high	102 Å²	102	39.1 Å²	39.1	63%	0.626	22%	0.217	S	C	*	.	S	Bend	trans	-77.4	-2.9	-176.9	46	0	0	0	0	114	S302 N303	T282-S302 PolarHBondContact OG1-OG 3.2Å; T282-N303 PolarHBondContact OG1-ND2 2.84Å
283	G	95.4	Very high	96.5	Very high	19 Å²	19	41 Å²	41	20%	0.196	22%	0.221	C	C	.	.	S	Bend	trans	-176.3	-168.5	-176.4	0	0	0	0	0	112	H281 I285	H281-G283 PolarHBondContact O-N 2.75Å; G283-I285 PolarHBondContact O-N 3.48Å
284	P	97	Very high	96.3	Very high	45 Å²	45	41.4 Å²	41.4	29%	0.292	22%	0.223	S	C	.	.			trans	-56.9	131.5	-177.5	-26.1	35.2	0	0	0	112.4	V241 S258 E259 T286 C301	V241-P284 HydrophobicContact CG1-CB 4.08Å; V241-P284 HydrophobicContact CG2-CB 4.39Å; V241-P284 HydrophobicContact CG2-CG 4.27Å; S258-P284 WeakPolarHBondContact O-CA 3.35Å; E259-P284 HydrophobicContact CG-CG 4.05Å; P284-T286 PolarHBondContact O-N 2.71Å; P284-C301 WeakPolarHBondContact O-CA 3.47Å; P284-C301 WeakPolarHBondContact O-CB 3.34Å
285	I	98	Very high	96.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.			trans	-82.3	103.1	172.5	-62.9	175.2	0	0	0	108.2	L243 S258 G261 I263 H281 G283 L288 A300	L243-I285 WeakPolarHBondContact CD2-O 3.44Å; S258-I285 PolarHBondContact O-N 3.08Å; S258-I285 VanDerWaalsContact O-N 3.09Å; G261-I285 WeakPolarHBondContact O-CD1 3.3Å; I263-I285 HydrophobicContact CD1-CD1 4.12Å; I263-I285 HydrophobicContact CG1-CD1 3.48Å; I263-I285 VanDerWaalsContact CG1-CD1 3.48Å; H281-I285 HydrophobicContact CB-CD1 4.35Å; H281-I285 HydrophobicContact CB-CG1 4.07Å; H281-I285 WeakPolarHBondContact CD2-CD1 3.44Å; G283-I285 PolarHBondContact O-N 3.48Å; I285-L288 HydrophobicContact CG2-CD2 4.32Å; I285-A300 CarbonylContact C-O 3.6Å; I285-A300 VanDerWaalsContact CA-O 3.3Å; I285-A300 WeakPolarHBondContact CA-O 3.28Å
286	T	95.9	Very high	96.2	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	23%	0.232	C	C	.	.			trans	-79.9	-34.6	-170.9	52.7	0	0	0	0	112.1	K23 I24 E244 P284 A300	K23-T286 HydrophobicContact CD-CG2 4.2Å; K23-T286 HydrophobicContact CG-CG2 4.27Å; I24-T286 PolarHBondContact O-OG1 2.77Å; E244-T286 PolarHBondContact N-O 2.85Å; P284-T286 PolarHBondContact O-N 2.71Å; T286-A300 PolarHBondContact N-O 3.45Å; T286-A300 PolarHBondContact OG1-O 2.83Å
287	C	95.5	Very high	96.1	Very high	1 Å²	1	40 Å²	40	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.1	179.2	51.3	0	0	0	0	111.2	F27 E244 A300	F27-C287 HydrophobicContact CD1-CB 4.28Å; F27-C287 WeakPolarHBondContact CD1-SG 3.37Å; F27-C287 HydrophobicContact CE1-CB 4.19Å; E244-C287 HydrophobicContact CB-CB 4.44Å; C287-A300 PolarHBondContact O-N 3.16Å
288	L	97.8	Very high	96.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	147.6	174.9	62.5	150.3	0	0	0	109.6	E244 S246 M255 I263 I285 A298	E244-L288 WeakPolarHBondContact O-CD2 3.5Å; S246-L288 VanDerWaalsContact CB-O 3.31Å; S246-L288 WeakPolarHBondContact CB-O 3.38Å; S246-L288 PolarHBondContact OG-O 2.84Å; M255-L288 HydrophobicContact CB-CD1 3.37Å; M255-L288 HydrophobicContact CE-CD1 4.2Å; I263-L288 HydrophobicContact CG2-CD1 3.93Å; I285-L288 HydrophobicContact CG2-CD2 4.32Å; L288-A298 VanDerWaalsContact CA-O 3.27Å; L288-A298 WeakPolarHBondContact CA-O 3.48Å; L288-A298 WeakPolarHBondContact CB-O 3.44Å
289	Q	98	Very high	96.2	Very high	22 Å²	22	36.2 Å²	36.2	10%	0.103	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	147	178.6	-58.3	-178.1	-10.6	0	0	108.8	F27 F29 F297 A298	F27-Q289 HydrophobicContact CE2-CB 3.7Å; F27-Q289 HydrophobicContact CE2-CG 3.84Å; F27-Q289 HydrophobicContact CZ-CB 3.95Å; F27-Q289 HydrophobicContact CZ-CG 4Å; F27-Q289 PolarHBondContact O-NE2 3.09Å; F27-Q289 VanDerWaalsContact O-NE2 3.16Å; F29-Q289 HydrophobicContact CD2-CB 4.03Å; F29-Q289 HydrophobicContact CE2-CB 4.01Å; F29-Q289 WeakPolarHBondContact CE2-O 3.37Å; Q289-F297 WeakPolarHBondContact O-CA 3.14Å; Q289-F297 VanDerWaalsContact O-CB 3.28Å; Q289-F297 WeakPolarHBondContact O-CB 3.39Å; Q289-A298 PolarHBondContact N-O 2.48Å; Q289-A298 VanDerWaalsContact N-O 3.12Å; Q289-A298 PolarHBondContact O-N 3.41Å
290	F	97.8	Very high	96.4	Very high	18 Å²	18	35.5 Å²	35.5	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	143.2	169.5	-144.3	-80.3	0	0	0	109.8	L3 F11 T248 P249 M255 M295 T296 F297	L3-F290 HydrophobicContact CD1-CE1 4.44Å; L3-F290 HydrophobicContact CD1-CE2 4.33Å; L3-F290 HydrophobicContact CD1-CZ 4.13Å; L3-F290 HydrophobicContact CD2-CE2 4.13Å; L3-F290 HydrophobicContact CD2-CZ 3.7Å; F11-F290 HydrophobicContact CE1-CE2 4.45Å; F11-F290 HydrophobicContact CE1-CZ 4.31Å; F11-F290 HydrophobicContact CE2-CZ 4.5Å; F11-F290 AromaticContact CZ-CE2 3.98Å; F11-F290 HydrophobicContact CZ-CE2 3.98Å; F11-F290 AromaticContact CZ-CZ 3.71Å; F11-F290 HydrophobicContact CZ-CZ 3.71Å; T248-F290 HydrophobicContact CG2-CD2 3.97Å; T248-F290 HydrophobicContact CG2-CE2 4.33Å; P249-F290 VanDerWaalsContact CD-CD1 3.46Å; P249-F290 HydrophobicContact CG-CB 3.97Å; P249-F290 HydrophobicContact CG-CD1 3.53Å; P249-F290 HydrophobicContact CG-CE1 4.35Å; P249-F290 HydrophobicContact CG-CG 4.01Å; M255-F290 HydrophobicContact SD-CD2 3.92Å; F290-M295 HydrophobicContact CZ-CG 4.37Å; F290-T296 VanDerWaalsContact CD1-O 3.24Å; F290-T296 WeakPolarHBondContact CD1-O 3.37Å; F290-T296 WeakPolarHBondContact CE1-O 3.29Å; F290-F297 HydrophobicContact CB-CB 4.31Å; F290-F297 HydrophobicContact CD2-CB 3.69Å; F290-F297 HydrophobicContact CD2-CD1 4.23Å; F290-F297 HydrophobicContact CD2-CG 4.33Å; F290-F297 HydrophobicContact CE2-CB 4.13Å; F290-F297 AromaticContact CE2-CD1 3.99Å; F290-F297 HydrophobicContact CE2-CD1 3.99Å; F290-F297 HydrophobicContact CG-CB 4Å
291	N	97.4	Very high	96.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.151	C	C	.	.			trans	-67	135.2	175.7	-174.6	-67.1	0	0	0	110.1	F29 G33 K293 F294 T296	F29-N291 HydrophobicContact CD1-CB 4.31Å; F29-N291 WeakPolarHBondContact CD1-ND2 3.3Å; F29-N291 HydrophobicContact CE1-CB 4.02Å; F29-N291 VanDerWaalsContact CE1-ND2 3.33Å; F29-N291 WeakPolarHBondContact CE1-ND2 3.18Å; F29-N291 HydrophobicContact CE2-CB 4.4Å; F29-N291 HydrophobicContact CZ-CB 4.06Å; G33-N291 WeakPolarHBondContact CA-OD1 3.45Å; G33-N291 PolarHBondContact O-ND2 3.18Å; N291-K293 PolarHBondContact O-N 3.42Å; N291-K293 PolarHBondContact OD1-N 3.33Å; N291-F294 PolarHBondContact OD1-N 3.3Å; N291-T296 HydrophobicContact CB-CG2 3.43Å; N291-T296 VanDerWaalsContact CB-CG2 3.43Å; N291-T296 WeakPolarHBondContact CB-O 3.34Å; N291-T296 PolarHBondContact N-O 3.47Å
292	P	94.2	Very high	96.5	Very high	61 Å²	61	28.7 Å²	28.7	40%	0.396	16%	0.159	S	C	.	.	S	Bend	trans	-71	-14.1	-174.8	27.7	-35.6	0	0	0	114.3	F29	F29-P292 HydrophobicContact CB-CG 4.25Å
293	K	93.1	Very high	96.6	Very high	144 Å²	144	24.6 Å²	24.6	63%	0.626	13%	0.133	S	C	*	.	S	Bend	trans	-124.1	-40.3	-175.1	-65.3	-59.4	-174.2	-175.9	0	114	N32 N291	N32-K293 VanDerWaalsContact O-CG 3.25Å; N32-K293 WeakPolarHBondContact O-CG 3.45Å; N291-K293 PolarHBondContact O-N 3.42Å; N291-K293 PolarHBondContact OD1-N 3.33Å
294	F	94.6	Very high	96.7	Very high	79 Å²	79	23.7 Å²	23.7	35%	0.346	12%	0.124	S	C	.	.	S	Bend	trans	-100.7	152.2	-175	-55.1	-59.2	0	0	0	111.2	G33 E34 N291 T296	G33-F294 WeakPolarHBondContact O-CD2 3.5Å; G33-F294 WeakPolarHBondContact O-CE2 3.49Å; E34-F294 HydrophobicContact CG-CE2 4.31Å; E34-F294 HydrophobicContact CG-CZ 4.46Å; N291-F294 PolarHBondContact OD1-N 3.3Å; F294-T296 HydrophobicContact CB-CG2 3.77Å; F294-T296 PolarHBondContact O-N 3.2Å
295	M	94.8	Very high	96.8	Very high	44 Å²	44	21.6 Å²	21.6	22%	0.217	11%	0.11	C	C	.	.	S	Bend	trans	-77.7	69.1	174.4	-171.3	162.8	-77.2	0	0	110.8	M1 L3 V7 F11 F290 P309	M1-M295 HydrophobicContact CB-CE 3.48Å; M1-M295 VanDerWaalsContact CB-CE 3.48Å; M1-M295 HydrophobicContact CB-SD 3.71Å; M1-M295 HydrophobicContact CG-CE 3.68Å; M1-M295 HydrophobicContact CG-SD 3.51Å; M1-M295 VanDerWaalsContact CG-SD 3.51Å; M1-M295 WeakPolarHBondContact O-CE 3.45Å; M1-M295 HydrophobicContact SD-CE 4.24Å; M1-M295 HydrophobicContact SD-SD 3.25Å; L3-M295 HydrophobicContact CD2-CE 3.74Å; L3-M295 HydrophobicContact CD2-CG 4.42Å; L3-M295 HydrophobicContact CD2-SD 4.3Å; L3-M295 HydrophobicContact CG-CE 4.07Å; V7-M295 HydrophobicContact CG1-SD 3.71Å; F11-M295 HydrophobicContact CZ-CG 3.92Å; F290-M295 HydrophobicContact CZ-CG 4.37Å; M295-P309 HydrophobicContact CG-CG 4.02Å; M295-P309 WeakPolarHBondContact O-CD 3.13Å; M295-P309 HydrophobicContact SD-CG 4.24Å
296	T	96.2	Very high	96.8	Very high	14 Å²	14	22.2 Å²	22.2	9%	0.086	11%	0.113	C	C	.	.			trans	-150.4	156.2	-177.9	-176.3	0	0	0	0	108.6	F290 N291 F294 W307	F290-T296 VanDerWaalsContact CD1-O 3.24Å; F290-T296 WeakPolarHBondContact CD1-O 3.37Å; F290-T296 WeakPolarHBondContact CE1-O 3.29Å; N291-T296 HydrophobicContact CB-CG2 3.43Å; N291-T296 VanDerWaalsContact CB-CG2 3.43Å; N291-T296 WeakPolarHBondContact CB-O 3.34Å; N291-T296 PolarHBondContact N-O 3.47Å; F294-T296 HydrophobicContact CB-CG2 3.77Å; F294-T296 PolarHBondContact O-N 3.2Å; T296-W307 VanDerWaalsContact CA-O 3.29Å; T296-W307 WeakPolarHBondContact CA-O 3.38Å; T296-W307 WeakPolarHBondContact CB-O 3.49Å; T296-W307 PolarHBondContact OG1-O 3.38Å
297	F	98	Very high	96.9	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	162.7	170.6	73.5	-101.3	0	0	0	110	F11 M255 I263 L277 Q289 F290 W307	F11-F297 HydrophobicContact CB-CE1 3.81Å; F11-F297 HydrophobicContact CB-CZ 4.45Å; F11-F297 AromaticContact CD1-CD1 3.51Å; F11-F297 HydrophobicContact CD1-CD1 3.51Å; F11-F297 AromaticContact CD1-CE1 3.31Å; F11-F297 HydrophobicContact CD1-CE1 3.31Å; F11-F297 HydrophobicContact CD1-CZ 4.43Å; F11-F297 HydrophobicContact CD2-CE1 4.37Å; F11-F297 AromaticContact CE1-CD1 3.62Å; F11-F297 HydrophobicContact CE1-CD1 3.62Å; F11-F297 AromaticContact CE1-CE1 3.93Å; F11-F297 HydrophobicContact CE1-CE1 3.93Å; F11-F297 HydrophobicContact CG-CD1 4.14Å; F11-F297 AromaticContact CG-CE1 3.58Å; F11-F297 HydrophobicContact CG-CE1 3.58Å; F11-F297 HydrophobicContact CZ-CD1 4.34Å; M255-F297 HydrophobicContact CE-CD1 3.86Å; M255-F297 HydrophobicContact CE-CD2 4.05Å; M255-F297 HydrophobicContact CE-CE1 3.78Å; M255-F297 HydrophobicContact CE-CE2 4.01Å; M255-F297 HydrophobicContact CE-CG 3.99Å; M255-F297 HydrophobicContact CE-CZ 3.87Å; I263-F297 HydrophobicContact CD1-CE2 3.46Å; I263-F297 VanDerWaalsContact CD1-CE2 3.46Å; I263-F297 HydrophobicContact CD1-CZ 3.97Å; L277-F297 HydrophobicContact CD1-CE1 4.01Å; L277-F297 HydrophobicContact CD1-CZ 3.72Å; Q289-F297 WeakPolarHBondContact O-CA 3.14Å; Q289-F297 VanDerWaalsContact O-CB 3.28Å; Q289-F297 WeakPolarHBondContact O-CB 3.39Å; F290-F297 HydrophobicContact CB-CB 4.31Å; F290-F297 HydrophobicContact CD2-CB 3.69Å; F290-F297 HydrophobicContact CD2-CD1 4.23Å; F290-F297 HydrophobicContact CD2-CG 4.33Å; F290-F297 HydrophobicContact CE2-CB 4.13Å; F290-F297 AromaticContact CE2-CD1 3.99Å; F290-F297 HydrophobicContact CE2-CD1 3.99Å; F290-F297 HydrophobicContact CG-CB 4Å; F297-W307 HydrophobicContact CD1-CB 3.79Å; F297-W307 HydrophobicContact CD1-CG 4.44Å; F297-W307 HydrophobicContact CD2-CB 3.91Å; F297-W307 AromaticContact CD2-CD1 3.67Å; F297-W307 AromaticContact CD2-CG 3.84Å; F297-W307 HydrophobicContact CD2-CG 3.84Å; F297-W307 HydrophobicContact CE1-CB 3.51Å; F297-W307 HydrophobicContact CE1-CD2 4.29Å; F297-W307 HydrophobicContact CE1-CE3 4.49Å; F297-W307 AromaticContact CE1-CG 3.93Å; F297-W307 HydrophobicContact CE1-CG 3.93Å; F297-W307 HydrophobicContact CE2-CB 3.61Å; F297-W307 AromaticContact CE2-CD1 3.2Å; F297-W307 AromaticContact CE2-CD2 3.58Å; F297-W307 HydrophobicContact CE2-CD2 3.58Å; F297-W307 AromaticContact CE2-CE2 3.78Å; F297-W307 HydrophobicContact CE2-CE3 4.38Å; F297-W307 AromaticContact CE2-CG 3.19Å; F297-W307 HydrophobicContact CE2-CG 3.19Å; F297-W307 AromaticContact CE2-NE1 3.58Å; F297-W307 HydrophobicContact CG-CB 3.98Å; F297-W307 HydrophobicContact CG-CG 4.4Å; F297-W307 HydrophobicContact CZ-CB 3.4Å; F297-W307 VanDerWaalsContact CZ-CB 3.4Å; F297-W307 AromaticContact CZ-CD1 3.79Å; F297-W307 AromaticContact CZ-CD2 3.38Å; F297-W307 HydrophobicContact CZ-CD2 3.38Å; F297-W307 AromaticContact CZ-CE2 3.96Å; F297-W307 AromaticContact CZ-CE3 3.74Å; F297-W307 HydrophobicContact CZ-CE3 3.74Å; F297-W307 AromaticContact CZ-CG 3.25Å; F297-W307 HydrophobicContact CZ-CG 3.25Å; F297-W307 PolarHBondContact N-O 3.01Å; F297-W307 PolarHBondContact O-N 2.8Å
298	A	98.5	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.7	174.1	0	0	0	0	0	110.5	F27 F29 L288 Q289 M304 A305 F306	F27-A298 HydrophobicContact CE2-CB 3.81Å; F27-A298 HydrophobicContact CZ-CB 3.72Å; F27-A298 WeakPolarHBondContact CZ-O 3.32Å; F29-A298 HydrophobicContact CE2-CB 4.08Å; F29-A298 HydrophobicContact CZ-CB 3.65Å; L288-A298 VanDerWaalsContact CA-O 3.27Å; L288-A298 WeakPolarHBondContact CA-O 3.48Å; L288-A298 WeakPolarHBondContact CB-O 3.44Å; Q289-A298 PolarHBondContact N-O 2.48Å; Q289-A298 VanDerWaalsContact N-O 3.12Å; Q289-A298 PolarHBondContact O-N 3.41Å; A298-M304 HydrophobicContact CB-SD 3.88Å; A298-A305 VanDerWaalsContact CA-O 3.27Å; A298-A305 WeakPolarHBondContact CA-O 3.23Å; A298-F306 HydrophobicContact CB-CD1 3.91Å; A298-F306 HydrophobicContact CB-CE1 4.12Å
299	S	98.5	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.3	169.6	58.5	0	0	0	0	109.5	H281 A305 W307	H281-S299 PolarHBondContact CE1-OG 3.41Å; H281-S299 PolarHBondContact NE2-OG 2.97Å; S299-A305 PolarHBondContact N-O 2.91Å; S299-A305 PolarHBondContact O-N 3.38Å; S299-W307 PolarHBondContact OG-NE1 3.19Å
300	A	98	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.3	-175.3	0	0	0	0	0	112.2	I24 F27 I285 T286 C287 N303 M304	I24-A300 HydrophobicContact CB-CB 3.92Å; I24-A300 HydrophobicContact CD1-CB 4.06Å; I24-A300 HydrophobicContact CG2-CB 3.73Å; F27-A300 HydrophobicContact CD1-CB 3.87Å; F27-A300 HydrophobicContact CE1-CB 4.02Å; I285-A300 CarbonylContact C-O 3.6Å; I285-A300 VanDerWaalsContact CA-O 3.3Å; I285-A300 WeakPolarHBondContact CA-O 3.28Å; T286-A300 PolarHBondContact N-O 3.45Å; T286-A300 PolarHBondContact OG1-O 2.83Å; C287-A300 PolarHBondContact O-N 3.16Å; A300-N303 WeakPolarHBondContact CA-O 3.41Å; A300-M304 HydrophobicContact CB-CE 4.03Å; A300-M304 HydrophobicContact CB-SD 4.25Å
301	C	96.7	Very high	95.5	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.02	18%	0.178	C	C	.	.	S	Bend	trans	-122.4	-120.1	163.8	62.3	0	0	0	0	108.3	I24 H281 P284 N303	I24-C301 WeakPolarHBondContact CA-O 3.4Å; I24-C301 VanDerWaalsContact CB-O 3.24Å; I24-C301 WeakPolarHBondContact CB-O 3.48Å; I24-C301 PolarHBondContact N-O 2.79Å; H281-C301 PolarHBondContact ND1-SG 3.06Å; P284-C301 WeakPolarHBondContact O-CA 3.47Å; P284-C301 WeakPolarHBondContact O-CB 3.34Å; C301-N303 PolarHBondContact N-O 3.47Å; C301-N303 PolarHBondContact SG-N 2.8Å
302	S	96.1	Very high	94	Very high	38 Å²	38	40.6 Å²	40.6	27%	0.266	21%	0.213	S	C	.	.	S	Bend	trans	-74.6	-13.7	159.1	64.9	0	0	0	0	112.9	T282	T282-S302 PolarHBondContact OG1-OG 3.2Å
303	N	97.1	Very high	91.6	Very high	17 Å²	17	48.5 Å²	48.5	9%	0.091	25%	0.253	C	S	.	.	S	Bend	trans	-123.7	147.8	179.4	-60.1	-55	0	0	0	109.5	V16 F17 R18 T282 A300 C301	V16-N303 HydrophobicContact CG1-CB 3.89Å; F17-N303 WeakPolarHBondContact O-CA 3.5Å; F17-N303 WeakPolarHBondContact O-CB 3.27Å; R18-N303 WeakPolarHBondContact CG-OD1 3.12Å; T282-N303 PolarHBondContact OG1-ND2 2.84Å; A300-N303 WeakPolarHBondContact CA-O 3.41Å; C301-N303 PolarHBondContact N-O 3.47Å; C301-N303 PolarHBondContact SG-N 2.8Å
304	M	97.9	Very high	91.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132	171.2	-179.7	61.6	71.6	0	0	109.2	V16 F17 I24 F27 Y48 A298 A300 F306	V16-M304 CarbonylContact C-O 3.47Å; V16-M304 WeakPolarHBondContact CA-O 3.44Å; F17-M304 HydrophobicContact CB-CB 4.23Å; F17-M304 HydrophobicContact CD2-CB 4.14Å; F17-M304 HydrophobicContact CD2-CG 4.04Å; F17-M304 PolarHBondContact N-O 3.47Å; F17-M304 PolarHBondContact O-N 3.3Å; I24-M304 HydrophobicContact CD1-CB 3.96Å; I24-M304 HydrophobicContact CD1-CE 4.33Å; F27-M304 HydrophobicContact CB-CE 3.8Å; F27-M304 HydrophobicContact CD1-CE 3.74Å; F27-M304 HydrophobicContact CD1-SD 4.45Å; F27-M304 HydrophobicContact CD2-CE 4.47Å; F27-M304 HydrophobicContact CE1-CE 4.4Å; F27-M304 HydrophobicContact CG-CE 3.78Å; Y48-M304 HydrophobicContact CE2-CE 4.45Å; Y48-M304 HydrophobicContact CE2-CG 4.33Å; A298-M304 HydrophobicContact CB-SD 3.88Å; A300-M304 HydrophobicContact CB-CE 4.03Å; A300-M304 HydrophobicContact CB-SD 4.25Å; M304-F306 HydrophobicContact CG-CD1 4.15Å; M304-F306 HydrophobicContact CG-CE1 3.65Å; M304-F306 HydrophobicContact SD-CE1 4.13Å
305	A	98.2	Very high	91.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.9	176.2	0	0	0	0	0	110.8	V13 K15 V16 A298 S299	V13-A305 HydrophobicContact CG1-CB 4.31Å; V13-A305 HydrophobicContact CG2-CB 4.46Å; K15-A305 CarbonylContact O-C 3.57Å; K15-A305 WeakPolarHBondContact O-CA 3.45Å; V16-A305 HydrophobicContact CG2-CB 4.41Å; A298-A305 VanDerWaalsContact CA-O 3.27Å; A298-A305 WeakPolarHBondContact CA-O 3.23Å; S299-A305 PolarHBondContact N-O 2.91Å; S299-A305 PolarHBondContact O-N 3.38Å
306	F	98	Very high	91.2	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.053	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.9	172.6	-68.8	-1	0	0	0	110.1	A14 K15 F17 V36 Y48 A298 M304	A14-F306 PolarHBondContact N-O 3.12Å; K15-F306 PolarHBondContact N-O 3.39Å; K15-F306 PolarHBondContact O-N 3.09Å; F17-F306 HydrophobicContact CD2-CE1 4.38Å; F17-F306 HydrophobicContact CD2-CZ 4.44Å; F17-F306 AromaticContact CE2-CD1 3.92Å; F17-F306 HydrophobicContact CE2-CD1 3.92Å; F17-F306 AromaticContact CE2-CD2 3.62Å; F17-F306 HydrophobicContact CE2-CD2 3.62Å; F17-F306 AromaticContact CE2-CE1 3.84Å; F17-F306 HydrophobicContact CE2-CE1 3.84Å; F17-F306 AromaticContact CE2-CE2 3.54Å; F17-F306 HydrophobicContact CE2-CE2 3.54Å; F17-F306 AromaticContact CE2-CG 3.79Å; F17-F306 HydrophobicContact CE2-CG 3.79Å; F17-F306 AromaticContact CE2-CZ 3.64Å; F17-F306 HydrophobicContact CE2-CZ 3.64Å; F17-F306 AromaticContact CZ-CD2 3.96Å; F17-F306 HydrophobicContact CZ-CD2 3.96Å; F17-F306 AromaticContact CZ-CE2 3.74Å; F17-F306 HydrophobicContact CZ-CE2 3.74Å; F17-F306 HydrophobicContact CZ-CZ 4.17Å; V36-F306 HydrophobicContact CG1-CE1 3.63Å; V36-F306 HydrophobicContact CG1-CZ 3.38Å; Y48-F306 HydrophobicContact CG-CZ 4.28Å; A298-F306 HydrophobicContact CB-CD1 3.91Å; A298-F306 HydrophobicContact CB-CE1 4.12Å; M304-F306 HydrophobicContact CG-CD1 4.15Å; M304-F306 HydrophobicContact CG-CE1 3.65Å; M304-F306 HydrophobicContact SD-CE1 4.13Å
307	W	98	Very high	90.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130	-172.8	-63.9	76.1	0	0	0	111.2	F11 R12 V13 I263 L277 G279 H281 T296 F297 S299	F11-W307 HydrophobicContact CB-CE3 4.4Å; F11-W307 HydrophobicContact CD1-CB 3.94Å; R12-W307 VanDerWaalsContact C-CE3 3.42Å; R12-W307 VanDerWaalsContact O-CA 3.28Å; R12-W307 WeakPolarHBondContact O-CA 3.48Å; V13-W307 HydrophobicContact CG2-CD2 3.74Å; V13-W307 VanDerWaalsContact CG2-CE2 3.46Å; V13-W307 HydrophobicContact CG2-CE3 3.92Å; V13-W307 HydrophobicContact CG2-CH2 3.69Å; V13-W307 HydrophobicContact CG2-CZ2 3.45Å; V13-W307 VanDerWaalsContact CG2-CZ2 3.45Å; V13-W307 HydrophobicContact CG2-CZ3 3.88Å; I263-W307 HydrophobicContact CD1-CH2 4.18Å; I263-W307 HydrophobicContact CD1-CZ2 3.52Å; I263-W307 HydrophobicContact CG1-CZ2 4.38Å; L277-W307 HydrophobicContact CB-CH2 3.85Å; L277-W307 HydrophobicContact CB-CZ3 3.69Å; L277-W307 HydrophobicContact CD1-CE3 4.47Å; L277-W307 HydrophobicContact CD1-CZ3 4.34Å; G279-W307 VanDerWaalsContact N-CH2 3.31Å; H281-W307 AromaticContact NE2-CZ2 3.98Å; T296-W307 VanDerWaalsContact CA-O 3.29Å; T296-W307 WeakPolarHBondContact CA-O 3.38Å; T296-W307 WeakPolarHBondContact CB-O 3.49Å; T296-W307 PolarHBondContact OG1-O 3.38Å; F297-W307 HydrophobicContact CD1-CB 3.79Å; F297-W307 HydrophobicContact CD1-CG 4.44Å; F297-W307 HydrophobicContact CD2-CB 3.91Å; F297-W307 AromaticContact CD2-CD1 3.67Å; F297-W307 AromaticContact CD2-CG 3.84Å; F297-W307 HydrophobicContact CD2-CG 3.84Å; F297-W307 HydrophobicContact CE1-CB 3.51Å; F297-W307 HydrophobicContact CE1-CD2 4.29Å; F297-W307 HydrophobicContact CE1-CE3 4.49Å; F297-W307 AromaticContact CE1-CG 3.93Å; F297-W307 HydrophobicContact CE1-CG 3.93Å; F297-W307 HydrophobicContact CE2-CB 3.61Å; F297-W307 AromaticContact CE2-CD1 3.2Å; F297-W307 AromaticContact CE2-CD2 3.58Å; F297-W307 HydrophobicContact CE2-CD2 3.58Å; F297-W307 AromaticContact CE2-CE2 3.78Å; F297-W307 HydrophobicContact CE2-CE3 4.38Å; F297-W307 AromaticContact CE2-CG 3.19Å; F297-W307 HydrophobicContact CE2-CG 3.19Å; F297-W307 AromaticContact CE2-NE1 3.58Å; F297-W307 HydrophobicContact CG-CB 3.98Å; F297-W307 HydrophobicContact CG-CG 4.4Å; F297-W307 HydrophobicContact CZ-CB 3.4Å; F297-W307 VanDerWaalsContact CZ-CB 3.4Å; F297-W307 AromaticContact CZ-CD1 3.79Å; F297-W307 AromaticContact CZ-CD2 3.38Å; F297-W307 HydrophobicContact CZ-CD2 3.38Å; F297-W307 AromaticContact CZ-CE2 3.96Å; F297-W307 AromaticContact CZ-CE3 3.74Å; F297-W307 HydrophobicContact CZ-CE3 3.74Å; F297-W307 AromaticContact CZ-CG 3.25Å; F297-W307 HydrophobicContact CZ-CG 3.25Å; F297-W307 PolarHBondContact N-O 3.01Å; F297-W307 PolarHBondContact O-N 2.8Å; S299-W307 PolarHBondContact OG-NE1 3.19Å
308	L	96.1	Very high	90.5	Very high	87 Å²	87	46.1 Å²	46.1	46%	0.455	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.9	175.6	-64.6	175.8	0	0	0	109.7	F11 R12 A14	F11-L308 CarbonylContact C-O 3.58Å; F11-L308 VanDerWaalsContact CA-O 3.32Å; F11-L308 WeakPolarHBondContact CA-O 3.41Å; F11-L308 VanDerWaalsContact CD1-C 3.43Å; R12-L308 PolarHBondContact N-O 3.28Å; R12-L308 PolarHBondContact O-N 2.88Å; A14-L308 HydrophobicContact CB-CB 4.22Å; A14-L308 HydrophobicContact CB-CD1 3.66Å; A14-L308 HydrophobicContact CB-CG 3.78Å
309	P	95.3	Very high	90	Very high	22 Å²	22	49.1 Å²	49.1	14%	0.143	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	137.6	168.3	30.3	-33.8	0	0	0	108.9	V7 S10 F11 M295 I311	V7-P309 HydrophobicContact CG1-CB 4.27Å; S10-P309 WeakPolarHBondContact OG-CA 3.38Å; S10-P309 WeakPolarHBondContact OG-CB 3.11Å; F11-P309 HydrophobicContact CD2-CB 4.23Å; F11-P309 HydrophobicContact CE1-CB 4.46Å; F11-P309 VanDerWaalsContact CE1-CD 3.49Å; F11-P309 HydrophobicContact CE1-CG 4.43Å; F11-P309 HydrophobicContact CE2-CB 4.01Å; F11-P309 HydrophobicContact CZ-CB 4.13Å; F11-P309 HydrophobicContact CZ-CG 4.18Å; M295-P309 HydrophobicContact CG-CG 4.02Å; M295-P309 WeakPolarHBondContact O-CD 3.13Å; M295-P309 HydrophobicContact SD-CG 4.24Å; P309-I311 PolarHBondContact O-N 3.3Å
310	T	90.9	Very high	89.4	Confident	55 Å²	55	52.6 Å²	52.6	34%	0.337	29%	0.288	S	S	.	.			trans	-69	129.8	161.2	58.5	0	0	0	0	107.6	S10 R12	S10-T310 WeakPolarHBondContact CB-OG1 3.41Å; S10-T310 WeakPolarHBondContact O-CG2 3.46Å; S10-T310 PolarHBondContact O-N 2.69Å; S10-T310 PolarHBondContact O-OG1 3.16Å; S10-T310 VanDerWaalsContact O-OG1 3.12Å; S10-T310 PolarHBondContact OG-N 2.92Å; S10-T310 PolarHBondContact OG-O 3.35Å; R12-T310 HydrophobicContact CB-CG2 4.34Å; R12-T310 HydrophobicContact CG-CG2 3.68Å
311	I	77.6	Confident	88.7	Confident	131 Å²	131	56.7 Å²	56.7	67%	0.672	31%	0.31	S	S	*	.			trans	-85.4	110.6	164.7	-56.9	171.2	0	0	0	103.4	P309 D313	P309-I311 PolarHBondContact O-N 3.3Å; I311-D313 PolarHBondContact O-N 3.23Å
312	D	66.3	Low	88	Confident	141 Å²	141	61.2 Å²	61.2	75%	0.754	33%	0.334	S	S	*	.			trans	-69	115	164.7	-62.9	-25.2	0	0	0	105.2
313	D	44.8	Very low	87.3	Confident	228 Å²	228	63.3 Å²	63.3	100%	1.219	34%	0.34	S	S	*	.			trans	-62.7	0	170.1	-75.5	-30.5	0	0	0	111.1	I311	I311-D313 PolarHBondContact O-N 3.23Å

Retrieved 313 of 313 residues in 69.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).