A0A087X4A0_POEFO Loading...

Ribonuclease P protein subunit p30

Component of ribonuclease P, a ribonucleoprotein complex that generates mature tRNA molecules by cleaving their 5'-ends. Also a component of the MRP ribonuclease complex, which cleaves pre-rRNA sequences.

AlphaFold DB , UniProt , Accession A0A087X4A0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 267 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	57.5	Low	89.8	Confident	203 Å²	203	41.5 Å²	41.5	100%	1	22%	0.217	S	C	*	.				0	133.3	0	-74	-176.6	-157.4	0	0	109.2
2	S	71.1	Confident	89.8	Confident	52 Å²	52	40.2 Å²	40.2	36%	0.364	21%	0.214	S	C	.	.			trans	-57.3	141	171.6	-59.4	0	0	0	0	110.6	R68	S2-R68 PolarHBondContact O-NH2 2.86Å
3	V	90.7	Very high	89.6	Confident	51 Å²	51	44.1 Å²	44.1	31%	0.309	26%	0.255	S	S	.	.			trans	-95.6	115.9	176.4	-174	0	0	0	0	106.9	M5 S31 S220	V3-M5 HydrophobicContact CB-CE 4.33Å; V3-M5 HydrophobicContact CG1-CE 3.8Å; V3-M5 HydrophobicContact CG1-CG 4.5Å; V3-S31 VanDerWaalsContact CG1-CB 3.46Å; V3-S220 WeakPolarHBondContact O-CA 3.26Å; V3-S220 WeakPolarHBondContact O-CB 3.36Å; V3-S220 PolarHBondContact O-OG 2.99Å
4	F	95.9	Very high	89.7	Confident	16 Å²	16	46.5 Å²	46.5	7%	0.07	27%	0.267	C	S	.	.			trans	-94	142.6	177.3	-58.6	-64.7	0	0	0	110.5	F30 S31 P198 Y199 I202 V219	F4-F30 HydrophobicContact CB-CD1 4.22Å; F4-S31 PolarHBondContact O-N 3.47Å; F4-P198 HydrophobicContact CB-CB 3.84Å; F4-P198 HydrophobicContact CB-CG 3.69Å; F4-P198 HydrophobicContact CD1-CB 3.73Å; F4-P198 HydrophobicContact CD1-CG 4.48Å; F4-P198 HydrophobicContact CD2-CB 3.68Å; F4-P198 HydrophobicContact CD2-CG 3.77Å; F4-P198 HydrophobicContact CE1-CB 4.15Å; F4-P198 HydrophobicContact CE2-CB 4.1Å; F4-P198 HydrophobicContact CG-CB 3.46Å; F4-P198 VanDerWaalsContact CG-CB 3.46Å; F4-P198 HydrophobicContact CG-CG 3.74Å; F4-P198 HydrophobicContact CZ-CB 4.31Å; F4-Y199 HydrophobicContact CE2-CE2 4.31Å; F4-Y199 HydrophobicContact CZ-CE1 4.18Å; F4-I202 HydrophobicContact CE1-CD1 4.33Å; F4-V219 WeakPolarHBondContact CA-O 3.33Å; F4-V219 HydrophobicContact CD1-CG2 3.82Å; F4-V219 HydrophobicContact CE1-CG2 4.1Å
5	M	96.8	Very high	89.7	Confident	13 Å²	13	53.5 Å²	53.5	6%	0.064	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.7	-176	-50.1	-179.3	-176	0	0	110.2	V3 L7 T32 V219 C223 R224 L227	V3-M5 HydrophobicContact CB-CE 4.33Å; V3-M5 HydrophobicContact CG1-CE 3.8Å; V3-M5 HydrophobicContact CG1-CG 4.5Å; M5-L7 HydrophobicContact CB-CD2 4.18Å; M5-T32 VanDerWaalsContact CA-O 3.29Å; M5-T32 WeakPolarHBondContact CA-O 3.5Å; M5-V219 PolarHBondContact N-O 3.2Å; M5-C223 HydrophobicContact CB-CB 3.85Å; M5-C223 HydrophobicContact CG-CB 4.15Å; M5-C223 HydrophobicContact SD-CB 3.78Å; M5-R224 HydrophobicContact CE-CB 4.1Å; M5-L227 HydrophobicContact CE-CD1 4.06Å; M5-L227 HydrophobicContact SD-CD1 3.62Å; M5-L227 HydrophobicContact SD-CG 4.23Å
6	D	97.1	Very high	89.8	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.011	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	112.5	167.5	-174.7	-1.6	0	0	0	109.1	N8 F30 T32 V33 A34 S187	D6-N8 VanDerWaalsContact C-N 3.35Å; D6-N8 PolarHBondContact OD1-N 2.89Å; D6-F30 HydrophobicContact CB-CD1 4.02Å; D6-F30 HydrophobicContact CB-CE1 4.02Å; D6-F30 HydrophobicContact CB-CG 4.46Å; D6-F30 HydrophobicContact CB-CZ 4.47Å; D6-T32 PolarHBondContact N-O 3.02Å; D6-V33 CarbonylContact O-C 3.59Å; D6-V33 WeakPolarHBondContact O-CA 3.38Å; D6-A34 PolarHBondContact O-N 2.94Å; D6-S187 PolarHBondContact OD1-N 3.41Å; D6-S187 VanDerWaalsContact OD1-N 3.13Å; D6-S187 WeakPolarHBondContact OD2-CB 3.43Å; D6-S187 PolarHBondContact OD2-OG 2.82Å
7	L	97.2	Very high	89.9	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	11.5	-172.9	-56.8	-175.1	0	0	0	113.3	M5 A34 R77 L100 I184 C223 V226 L227	M5-L7 HydrophobicContact CB-CD2 4.18Å; L7-A34 HydrophobicContact CB-CB 4.45Å; L7-A34 HydrophobicContact CD2-CB 4.4Å; L7-R77 WeakPolarHBondContact O-CD 3.32Å; L7-R77 PolarHBondContact O-NH1 2.89Å; L7-L100 HydrophobicContact CB-CD1 4.32Å; L7-L100 HydrophobicContact CD1-CD1 4.32Å; L7-L100 HydrophobicContact CD2-CD1 4.08Å; L7-L100 HydrophobicContact CG-CD1 4.47Å; L7-I184 HydrophobicContact CB-CD1 4.45Å; L7-I184 HydrophobicContact CD1-CD1 4.05Å; L7-C223 HydrophobicContact CD1-CB 4.02Å; L7-C223 HydrophobicContact CG-CB 4.4Å; L7-V226 HydrophobicContact CD1-CB 4.14Å; L7-V226 HydrophobicContact CD1-CG1 4Å; L7-L227 HydrophobicContact CD2-CD2 4.08Å
8	N	96.7	Very high	90	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.053	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	80.2	-179.2	-162.1	-6.5	0	0	0	113.3	D6 N36 E151 S186 S187 A188	D6-N8 VanDerWaalsContact C-N 3.35Å; D6-N8 PolarHBondContact OD1-N 2.89Å; N8-N36 VanDerWaalsContact OD1-CB 3.3Å; N8-N36 WeakPolarHBondContact OD1-CB 3.48Å; N8-N36 PolarHBondContact OD1-ND2 3.06Å; N8-E151 WeakPolarHBondContact CB-OE1 3.43Å; N8-E151 PolarHBondContact ND2-OE1 3.01Å; N8-S186 WeakPolarHBondContact CB-OG 3.42Å; N8-S187 PolarHBondContact O-OG 3.01Å; N8-S187 VanDerWaalsContact O-OG 3.07Å; N8-A188 WeakPolarHBondContact O-CA 3.39Å; N8-A188 PolarHBondContact O-N 2.95Å
9	V	95.9	Very high	90.1	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.9	165.1	173.7	0	0	0	0	108.2	F11 L21 V33 A34 I35 N36 L195	V9-F11 PolarHBondContact O-N 3.42Å; V9-L21 HydrophobicContact CG1-CB 4.23Å; V9-L21 HydrophobicContact CG1-CD1 3.93Å; V9-L21 HydrophobicContact CG1-CD2 4.22Å; V9-L21 HydrophobicContact CG1-CG 4.38Å; V9-V33 HydrophobicContact CB-CG1 3.92Å; V9-V33 HydrophobicContact CG2-CG1 3.49Å; V9-V33 VanDerWaalsContact CG2-CG1 3.49Å; V9-A34 PolarHBondContact N-O 3.13Å; V9-I35 CarbonylContact O-C 3.53Å; V9-I35 WeakPolarHBondContact O-CA 3.29Å; V9-N36 PolarHBondContact O-N 3.13Å; V9-L195 HydrophobicContact CG2-CD2 4.44Å
10	L	94.9	Very high	90.4	Very high	36 Å²	36	54.5 Å²	54.5	19%	0.188	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.8	-173.3	-71	174.4	0	0	0	111.5	N36 V38 A189 E190	L10-N36 HydrophobicContact CD2-CB 4.35Å; L10-V38 HydrophobicContact CD2-CG2 3.76Å; L10-A189 PolarHBondContact N-O 3.3Å; L10-E190 HydrophobicContact CB-CG 4.23Å; L10-E190 HydrophobicContact CD1-CG 3.49Å; L10-E190 VanDerWaalsContact CD1-CG 3.49Å; L10-E190 HydrophobicContact CG-CG 4.44Å
11	F	94.3	Very high	90.6	Very high	71 Å²	71	52 Å²	52	31%	0.311	28%	0.28	S	S	.	.			trans	-60.9	138.4	175.3	176	-104.6	0	0	0	110.9	V9 I35 N36 Y37 V53 L58	V9-F11 PolarHBondContact O-N 3.42Å; F11-I35 HydrophobicContact CB-CG2 3.82Å; F11-I35 HydrophobicContact CD2-CG2 3.86Å; F11-I35 HydrophobicContact CG-CG2 4.34Å; F11-N36 WeakPolarHBondContact CB-O 3.48Å; F11-N36 PolarHBondContact N-O 2.98Å; F11-Y37 HydrophobicContact CB-CD1 4.06Å; F11-Y37 HydrophobicContact CB-CE1 4.15Å; F11-Y37 HydrophobicContact CB-CG 4.31Å; F11-Y37 AromaticContact CD1-CD1 3.95Å; F11-Y37 HydrophobicContact CD1-CD1 3.95Å; F11-Y37 AromaticContact CD1-CE1 3.83Å; F11-Y37 HydrophobicContact CD1-CE1 3.83Å; F11-Y37 HydrophobicContact CD2-CD1 4.23Å; F11-Y37 AromaticContact CD2-CE1 3.48Å; F11-Y37 HydrophobicContact CD2-CE1 3.48Å; F11-Y37 VanDerWaalsContact CD2-CE1 3.48Å; F11-Y37 HydrophobicContact CD2-CE2 4.44Å; F11-Y37 AromaticContact CD2-CZ 3.62Å; F11-Y37 HydrophobicContact CE1-CD1 4.49Å; F11-Y37 HydrophobicContact CE1-CE1 4.08Å; F11-Y37 AromaticContact CE2-CE1 3.75Å; F11-Y37 HydrophobicContact CE2-CE1 3.75Å; F11-Y37 AromaticContact CE2-CZ 3.99Å; F11-Y37 AromaticContact CG-CD1 3.8Å; F11-Y37 HydrophobicContact CG-CD1 3.8Å; F11-Y37 AromaticContact CG-CE1 3.52Å; F11-Y37 HydrophobicContact CG-CE1 3.52Å; F11-Y37 HydrophobicContact CZ-CE1 4.03Å; F11-V53 HydrophobicContact CZ-CG2 4.48Å; F11-L58 HydrophobicContact CE2-CD2 4.02Å
12	S	89.8	Confident	92.4	Very high	26 Å²	26	42.3 Å²	42.3	18%	0.182	23%	0.232	C	C	.	.			trans	-133.2	138.6	171.4	-166.4	0	0	0	0	109.3	D14	S12-D14 PolarHBondContact O-N 3.37Å
13	A	87.2	Confident	93.6	Very high	91 Å²	91	44 Å²	44	75%	0.752	23%	0.234	S	C	*	.	S	Bend	trans	-67.5	-20.6	173.7	0	0	0	0	0	112.4	R15	A13-R15 PolarHBondContact O-N 2.92Å
14	D	90.6	Very high	93.8	Very high	78 Å²	78	43.5 Å²	43.5	42%	0.417	23%	0.231	S	C	.	.			trans	-76.7	105.5	173.7	-179.6	0.8	0	0	0	110.6	S12 S16 R17 L18	S12-D14 PolarHBondContact O-N 3.37Å; D14-S16 VanDerWaalsContact C-N 3.29Å; D14-S16 PolarHBondContact O-N 3.14Å; D14-S16 WeakPolarHBondContact OD1-CB 3.32Å; D14-S16 PolarHBondContact OD1-N 3.11Å; D14-S16 PolarHBondContact OD1-OG 2.91Å; D14-S16 PolarHBondContact OD2-OG 3.35Å; D14-R17 HydrophobicContact CB-CB 4.05Å; D14-R17 PolarHBondContact O-N 2.93Å; D14-L18 PolarHBondContact O-N 3.26Å; D14-L18 VanDerWaalsContact O-N 3.11Å
15	R	89.6	Confident	93.9	Very high	151 Å²	151	42.7 Å²	42.7	57%	0.57	23%	0.228	S	C	*	.	H	α-helix	trans	-59.9	-37.5	179.9	-65.9	-177.9	175.7	178.7	-5.5	112.7	A13 R17 L18 Q19	A13-R15 PolarHBondContact O-N 2.92Å; R15-R17 VanDerWaalsContact C-N 3.34Å; R15-R17 PolarHBondContact O-N 3.24Å; R15-L18 PolarHBondContact O-N 2.91Å; R15-Q19 VanDerWaalsContact O-CB 3.29Å; R15-Q19 WeakPolarHBondContact O-CB 3.31Å; R15-Q19 PolarHBondContact O-N 3.18Å
16	S	91.4	Very high	93.8	Very high	76 Å²	76	42.1 Å²	42.1	53%	0.531	23%	0.225	S	C	.	.	H	α-helix	trans	-65.6	-42	-177.6	70.6	0	0	0	0	111.2	D14 Q19 S20	D14-S16 VanDerWaalsContact C-N 3.29Å; D14-S16 PolarHBondContact O-N 3.14Å; D14-S16 WeakPolarHBondContact OD1-CB 3.32Å; D14-S16 PolarHBondContact OD1-N 3.11Å; D14-S16 PolarHBondContact OD1-OG 2.91Å; D14-S16 PolarHBondContact OD2-OG 3.35Å; S16-Q19 PolarHBondContact O-N 3.48Å; S16-S20 WeakPolarHBondContact O-CB 3.38Å; S16-S20 PolarHBondContact O-N 2.71Å
17	R	91.2	Very high	93.8	Very high	81 Å²	81	47.9 Å²	47.9	31%	0.306	25%	0.252	S	S	.	.	H	α-helix	trans	-65.9	-44.3	176.6	-176	176.1	179.1	174.5	-1.1	111.9	D14 R15 S20 L21 E190	D14-R17 HydrophobicContact CB-CB 4.05Å; D14-R17 PolarHBondContact O-N 2.93Å; R15-R17 VanDerWaalsContact C-N 3.34Å; R15-R17 PolarHBondContact O-N 3.24Å; R17-S20 PolarHBondContact O-N 3.5Å; R17-L21 PolarHBondContact O-N 2.83Å; R17-E190 PolarHBondContact NE-O 3.03Å; R17-E190 VanDerWaalsContact NH2-CB 3.31Å; R17-E190 PolarHBondContact NH2-O 3.21Å; R17-E190 IonicContact NH2-OE2 3.62Å
18	L	92	Very high	93.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-40.3	178.4	-173	62.5	0	0	0	111.8	D14 R15 L21 V22 I35 L58	D14-L18 PolarHBondContact O-N 3.26Å; D14-L18 VanDerWaalsContact O-N 3.11Å; R15-L18 PolarHBondContact O-N 2.91Å; L18-L21 WeakPolarHBondContact O-CB 3.39Å; L18-L21 PolarHBondContact O-N 2.85Å; L18-V22 WeakPolarHBondContact O-CG2 3.42Å; L18-V22 PolarHBondContact O-N 3.4Å; L18-V22 VanDerWaalsContact O-N 3.09Å; L18-I35 HydrophobicContact CD1-CD1 4.23Å; L18-I35 HydrophobicContact CD1-CG1 4.32Å; L18-I35 HydrophobicContact CD2-CD1 4.11Å; L18-I35 HydrophobicContact CG-CD1 4.48Å; L18-L58 HydrophobicContact CD2-CB 4.24Å; L18-L58 HydrophobicContact CD2-CD1 4.15Å; L18-L58 HydrophobicContact CD2-CD2 4.11Å; L18-L58 HydrophobicContact CD2-CG 4.41Å
19	Q	93	Very high	93.6	Very high	81 Å²	81	50.8 Å²	50.8	38%	0.379	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-47.7	173.8	-179.5	175.7	-7.3	0	0	111.2	R15 S16 L21 V22 E23	R15-Q19 VanDerWaalsContact O-CB 3.29Å; R15-Q19 WeakPolarHBondContact O-CB 3.31Å; R15-Q19 PolarHBondContact O-N 3.18Å; S16-Q19 PolarHBondContact O-N 3.48Å; Q19-L21 VanDerWaalsContact C-N 3.29Å; Q19-L21 PolarHBondContact O-N 2.93Å; Q19-V22 PolarHBondContact O-N 3.23Å; Q19-V22 VanDerWaalsContact O-N 3.14Å; Q19-E23 HydrophobicContact CG-CG 4.34Å; Q19-E23 VanDerWaalsContact CG-OE1 3.32Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.29Å; Q19-E23 PolarHBondContact NE2-OE1 3.17Å; Q19-E23 WeakPolarHBondContact O-CB 3.46Å; Q19-E23 WeakPolarHBondContact O-CG 3.33Å; Q19-E23 PolarHBondContact O-N 3.11Å
20	S	94.5	Very high	93.6	Very high	50 Å²	50	50.8 Å²	50.8	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-38.9	176.7	178.1	0	0	0	0	112.6	S16 R17 T24	S16-S20 WeakPolarHBondContact O-CB 3.38Å; S16-S20 PolarHBondContact O-N 2.71Å; R17-S20 PolarHBondContact O-N 3.5Å; S20-T24 VanDerWaalsContact O-CB 3.29Å; S20-T24 WeakPolarHBondContact O-CB 3.22Å; S20-T24 PolarHBondContact O-N 3.49Å; S20-T24 PolarHBondContact O-OG1 2.97Å
21	L	95.4	Very high	93.6	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-48.1	173.9	-84.6	161	0	0	0	111.9	V9 R17 L18 Q19 T24 A25 A189 K191 L195	V9-L21 HydrophobicContact CG1-CB 4.23Å; V9-L21 HydrophobicContact CG1-CD1 3.93Å; V9-L21 HydrophobicContact CG1-CD2 4.22Å; V9-L21 HydrophobicContact CG1-CG 4.38Å; R17-L21 PolarHBondContact O-N 2.83Å; L18-L21 WeakPolarHBondContact O-CB 3.39Å; L18-L21 PolarHBondContact O-N 2.85Å; Q19-L21 VanDerWaalsContact C-N 3.29Å; Q19-L21 PolarHBondContact O-N 2.93Å; L21-T24 PolarHBondContact O-N 2.9Å; L21-A25 WeakPolarHBondContact O-CB 3.28Å; L21-A25 PolarHBondContact O-N 3.46Å; L21-A189 HydrophobicContact CD2-CB 4.13Å; L21-K191 VanDerWaalsContact CD2-C 3.44Å; L21-L195 HydrophobicContact CD2-CD1 3.98Å; L21-L195 HydrophobicContact CD2-CG 4.28Å; L21-L195 WeakPolarHBondContact O-CD1 2.85Å
22	V	95.2	Very high	93.7	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-69.8	-38.5	-178.1	173.4	0	0	0	0	112	L18 Q19 A25 A26 I59 P63 I72 V74	L18-V22 WeakPolarHBondContact O-CG2 3.42Å; L18-V22 PolarHBondContact O-N 3.4Å; L18-V22 VanDerWaalsContact O-N 3.09Å; Q19-V22 PolarHBondContact O-N 3.23Å; Q19-V22 VanDerWaalsContact O-N 3.14Å; V22-A25 PolarHBondContact O-N 3.05Å; V22-A26 WeakPolarHBondContact O-CB 3.46Å; V22-A26 PolarHBondContact O-N 3.24Å; V22-I59 HydrophobicContact CB-CD1 3.85Å; V22-I59 HydrophobicContact CG1-CD1 3.96Å; V22-I59 HydrophobicContact CG2-CD1 3.56Å; V22-P63 HydrophobicContact CG1-CG 4.06Å; V22-I72 HydrophobicContact CG1-CD1 4.39Å; V22-I72 HydrophobicContact CG1-CG2 3.66Å; V22-V74 HydrophobicContact CG1-CG2 4.2Å
23	E	95.4	Very high	94	Very high	87 Å²	87	45.5 Å²	45.5	41%	0.407	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-45.2	172.3	-73.5	173.8	-178.3	0	0	111.7	Q19 A25 A26 H27 P63	Q19-E23 HydrophobicContact CG-CG 4.34Å; Q19-E23 VanDerWaalsContact CG-OE1 3.32Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.29Å; Q19-E23 PolarHBondContact NE2-OE1 3.17Å; Q19-E23 WeakPolarHBondContact O-CB 3.46Å; Q19-E23 WeakPolarHBondContact O-CG 3.33Å; Q19-E23 PolarHBondContact O-N 3.11Å; E23-A25 PolarHBondContact O-N 3.38Å; E23-A26 PolarHBondContact O-N 3Å; E23-H27 WeakPolarHBondContact O-CB 3.46Å; E23-H27 PolarHBondContact O-N 3.28Å; E23-P63 HydrophobicContact CG-CB 4.29Å; E23-P63 HydrophobicContact CG-CG 4.1Å
24	T	96.7	Very high	94.5	Very high	40 Å²	40	41.1 Å²	41.1	25%	0.245	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176.9	-56.9	0	0	0	0	111.1	S20 L21 A26 H27 L28 A192 L195	S20-T24 VanDerWaalsContact O-CB 3.29Å; S20-T24 WeakPolarHBondContact O-CB 3.22Å; S20-T24 PolarHBondContact O-N 3.49Å; S20-T24 PolarHBondContact O-OG1 2.97Å; L21-T24 PolarHBondContact O-N 2.9Å; T24-A26 PolarHBondContact O-N 3.47Å; T24-H27 WeakPolarHBondContact O-CB 3.4Å; T24-H27 PolarHBondContact O-N 2.98Å; T24-L28 HydrophobicContact CG2-CD1 4.07Å; T24-L28 HydrophobicContact CG2-CG 4.45Å; T24-L28 VanDerWaalsContact O-CG 3.28Å; T24-L28 WeakPolarHBondContact O-CG 3.44Å; T24-L28 PolarHBondContact O-N 3.38Å; T24-A192 HydrophobicContact CG2-CB 4.36Å; T24-A192 WeakPolarHBondContact OG1-CB 3.38Å; T24-L195 HydrophobicContact CG2-CB 4.41Å; T24-L195 HydrophobicContact CG2-CD1 4.01Å
25	A	96.5	Very high	94.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-41.8	176.3	0	0	0	0	0	112.2	L21 V22 E23 H27 L28 G29 F30 V33 I72 L195	L21-A25 WeakPolarHBondContact O-CB 3.28Å; L21-A25 PolarHBondContact O-N 3.46Å; V22-A25 PolarHBondContact O-N 3.05Å; E23-A25 PolarHBondContact O-N 3.38Å; A25-H27 VanDerWaalsContact C-N 3.34Å; A25-H27 PolarHBondContact O-N 3.06Å; A25-L28 PolarHBondContact O-N 2.95Å; A25-G29 PolarHBondContact O-N 3.14Å; A25-F30 HydrophobicContact CB-CB 4.34Å; A25-F30 HydrophobicContact CB-CD2 4.09Å; A25-F30 WeakPolarHBondContact O-CB 3.49Å; A25-F30 WeakPolarHBondContact O-CD2 3.29Å; A25-F30 PolarHBondContact O-N 2.88Å; A25-V33 HydrophobicContact CB-CG2 3.67Å; A25-I72 HydrophobicContact CB-CD1 4.16Å; A25-L195 HydrophobicContact CB-CD1 4.14Å
26	A	95.9	Very high	95.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-40.4	175.3	0	0	0	0	0	111.9	V22 E23 T24 G29 P63 V65 Q66 I72	V22-A26 WeakPolarHBondContact O-CB 3.46Å; V22-A26 PolarHBondContact O-N 3.24Å; E23-A26 PolarHBondContact O-N 3Å; T24-A26 PolarHBondContact O-N 3.47Å; A26-G29 PolarHBondContact O-N 2.94Å; A26-P63 HydrophobicContact CB-CB 3.94Å; A26-P63 HydrophobicContact CB-CG 3.7Å; A26-V65 HydrophobicContact CB-CG2 4.5Å; A26-Q66 PolarHBondContact O-N 3.13Å; A26-I72 HydrophobicContact CB-CB 4.38Å; A26-I72 HydrophobicContact CB-CD1 4.11Å
27	H	95.7	Very high	95.3	Very high	123 Å²	123	27.3 Å²	27.3	57%	0.569	14%	0.14	S	C	*	.	H	α-helix	trans	-63.8	-40.4	175.9	-173.2	66.1	0	0	0	112.4	E23 T24 A25 G29 Q66	E23-H27 WeakPolarHBondContact O-CB 3.46Å; E23-H27 PolarHBondContact O-N 3.28Å; T24-H27 WeakPolarHBondContact O-CB 3.4Å; T24-H27 PolarHBondContact O-N 2.98Å; A25-H27 VanDerWaalsContact C-N 3.34Å; A25-H27 PolarHBondContact O-N 3.06Å; H27-G29 PolarHBondContact O-N 3.38Å; H27-Q66 PolarHBondContact CE1-OE1 2.91Å; H27-Q66 PolarHBondContact ND1-OE1 3.32Å; H27-Q66 VanDerWaalsContact O-CB 3.26Å; H27-Q66 WeakPolarHBondContact O-CB 3.39Å; H27-Q66 VanDerWaalsContact O-CD 3.28Å; H27-Q66 PolarHBondContact O-OE1 3.49Å; H27-Q66 VanDerWaalsContact O-OE1 3.06Å
28	L	95.4	Very high	95.4	Very high	55 Å²	55	27 Å²	27	29%	0.288	15%	0.147	S	C	.	.	H	α-helix	trans	-69.8	-11.7	175.7	-68.9	170.8	0	0	0	113.7	T24 A25 F30 L195 P198	T24-L28 HydrophobicContact CG2-CD1 4.07Å; T24-L28 HydrophobicContact CG2-CG 4.45Å; T24-L28 VanDerWaalsContact O-CG 3.28Å; T24-L28 WeakPolarHBondContact O-CG 3.44Å; T24-L28 PolarHBondContact O-N 3.38Å; A25-L28 PolarHBondContact O-N 2.95Å; L28-F30 HydrophobicContact CB-CD2 3.99Å; L28-F30 HydrophobicContact CB-CE2 3.96Å; L28-F30 HydrophobicContact CD1-CE2 4.21Å; L28-L195 HydrophobicContact CD1-CB 3.6Å; L28-P198 VanDerWaalsContact O-CD 3.22Å; L28-P198 WeakPolarHBondContact O-CD 3.34Å
29	G	94.3	Very high	95.5	Very high	16 Å²	16	27.8 Å²	27.8	17%	0.165	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	98	13.9	176.3	0	0	0	0	0	115.1	A25 A26 H27 S31	A25-G29 PolarHBondContact O-N 3.14Å; A26-G29 PolarHBondContact O-N 2.94Å; H27-G29 PolarHBondContact O-N 3.38Å; G29-S31 PolarHBondContact O-N 3.09Å
30	F	96.2	Very high	95.4	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	16%	0.157	C	C	.	.			trans	-71.3	128.9	172.3	-66.8	-77.1	0	0	0	110.6	F4 D6 A25 L28 V33 V65 I72 R196 P198 I201	F4-F30 HydrophobicContact CB-CD1 4.22Å; D6-F30 HydrophobicContact CB-CD1 4.02Å; D6-F30 HydrophobicContact CB-CE1 4.02Å; D6-F30 HydrophobicContact CB-CG 4.46Å; D6-F30 HydrophobicContact CB-CZ 4.47Å; A25-F30 HydrophobicContact CB-CB 4.34Å; A25-F30 HydrophobicContact CB-CD2 4.09Å; A25-F30 WeakPolarHBondContact O-CB 3.49Å; A25-F30 WeakPolarHBondContact O-CD2 3.29Å; A25-F30 PolarHBondContact O-N 2.88Å; L28-F30 HydrophobicContact CB-CD2 3.99Å; L28-F30 HydrophobicContact CB-CE2 3.96Å; L28-F30 HydrophobicContact CD1-CE2 4.21Å; F30-V33 HydrophobicContact CB-CG2 4.26Å; F30-V65 WeakPolarHBondContact O-CG1 3.41Å; F30-V65 VanDerWaalsContact O-CG2 3.31Å; F30-V65 WeakPolarHBondContact O-CG2 3.32Å; F30-I72 WeakPolarHBondContact O-CD1 3.44Å; F30-R196 VanDerWaalsContact CE2-O 3.29Å; F30-R196 WeakPolarHBondContact CE2-O 3.38Å; F30-R196 WeakPolarHBondContact CZ-O 3.21Å; F30-P198 HydrophobicContact CD1-CG 4.22Å; F30-P198 HydrophobicContact CE1-CG 3.86Å; F30-P198 HydrophobicContact CE2-CG 4.38Å; F30-P198 HydrophobicContact CZ-CG 3.95Å; F30-I201 HydrophobicContact CE1-CD1 4.28Å; F30-I201 HydrophobicContact CZ-CD1 3.69Å
31	S	95.5	Very high	94.8	Very high	12 Å²	12	27.9 Å²	27.9	8%	0.084	15%	0.147	C	C	.	.	S	Bend	trans	-89.3	-23.9	179.2	-59.9	0	0	0	0	113	V3 F4 G29 R68 K73	V3-S31 VanDerWaalsContact CG1-CB 3.46Å; F4-S31 PolarHBondContact O-N 3.47Å; G29-S31 PolarHBondContact O-N 3.09Å; S31-R68 PolarHBondContact OG-NE 3.3Å; S31-R68 PolarHBondContact OG-NH1 3.07Å; S31-K73 PolarHBondContact O-N 2.78Å
32	T	96.1	Very high	94	Very high	10 Å²	10	30.9 Å²	30.9	6%	0.061	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	134.1	-179.9	-56.1	0	0	0	0	109.4	M5 D6 K73 L75 L227	M5-T32 VanDerWaalsContact CA-O 3.29Å; M5-T32 WeakPolarHBondContact CA-O 3.5Å; D6-T32 PolarHBondContact N-O 3.02Å; T32-K73 CarbonylContact C-O 3.5Å; T32-K73 VanDerWaalsContact CA-O 3.24Å; T32-K73 WeakPolarHBondContact CA-O 3.46Å; T32-K73 HydrophobicContact CG2-CB 4.14Å; T32-K73 HydrophobicContact CG2-CD 4.35Å; T32-K73 HydrophobicContact CG2-CG 4.38Å; T32-L75 HydrophobicContact CG2-CD1 3.66Å; T32-L75 HydrophobicContact CG2-CG 3.97Å; T32-L227 HydrophobicContact CG2-CD1 4.34Å
33	V	96.8	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.2	175.6	171	0	0	0	0	109.1	D6 V9 A25 F30 I72 K73 V74 L75	D6-V33 CarbonylContact O-C 3.59Å; D6-V33 WeakPolarHBondContact O-CA 3.38Å; V9-V33 HydrophobicContact CB-CG1 3.92Å; V9-V33 HydrophobicContact CG2-CG1 3.49Å; V9-V33 VanDerWaalsContact CG2-CG1 3.49Å; A25-V33 HydrophobicContact CB-CG2 3.67Å; F30-V33 HydrophobicContact CB-CG2 4.26Å; V33-I72 HydrophobicContact CB-CD1 4.32Å; V33-I72 HydrophobicContact CG2-CD1 3.64Å; V33-I72 HydrophobicContact CG2-CG1 4.48Å; V33-K73 PolarHBondContact N-O 3.18Å; V33-V74 CarbonylContact O-C 3.6Å; V33-V74 WeakPolarHBondContact O-CA 3.29Å; V33-L75 PolarHBondContact O-N 2.99Å
34	A	97.1	Very high	91.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.4	171.2	0	0	0	0	0	111.3	D6 L7 V9 L75 R77 L100	D6-A34 PolarHBondContact O-N 2.94Å; L7-A34 HydrophobicContact CB-CB 4.45Å; L7-A34 HydrophobicContact CD2-CB 4.4Å; V9-A34 PolarHBondContact N-O 3.13Å; A34-L75 CarbonylContact C-O 3.58Å; A34-L75 WeakPolarHBondContact CA-O 3.42Å; A34-L75 HydrophobicContact CB-CB 4.04Å; A34-R77 HydrophobicContact CB-CB 4.09Å; A34-L100 HydrophobicContact CB-CD1 3.95Å
35	I	96.6	Very high	89.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	116	173.4	-61.4	171.1	0	0	0	107.9	V9 F11 L18 Y37 L58 V74 L75 R77	V9-I35 CarbonylContact O-C 3.53Å; V9-I35 WeakPolarHBondContact O-CA 3.29Å; F11-I35 HydrophobicContact CB-CG2 3.82Å; F11-I35 HydrophobicContact CD2-CG2 3.86Å; F11-I35 HydrophobicContact CG-CG2 4.34Å; L18-I35 HydrophobicContact CD1-CD1 4.23Å; L18-I35 HydrophobicContact CD1-CG1 4.32Å; L18-I35 HydrophobicContact CD2-CD1 4.11Å; L18-I35 HydrophobicContact CG-CD1 4.48Å; I35-Y37 HydrophobicContact CB-CE2 4.46Å; I35-Y37 HydrophobicContact CG2-CD2 4.46Å; I35-Y37 HydrophobicContact CG2-CE2 3.88Å; I35-L58 HydrophobicContact CD1-CD1 4.09Å; I35-V74 HydrophobicContact CD1-CG1 3.42Å; I35-V74 VanDerWaalsContact CD1-CG1 3.42Å; I35-V74 HydrophobicContact CG1-CG1 3.81Å; I35-L75 PolarHBondContact N-O 3.45Å; I35-R77 PolarHBondContact O-N 2.92Å
36	N	96.6	Very high	87.6	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.1	-174.8	-174.4	26.6	0	0	0	111.4	N8 V9 L10 F11 R77 T79	N8-N36 VanDerWaalsContact OD1-CB 3.3Å; N8-N36 WeakPolarHBondContact OD1-CB 3.48Å; N8-N36 PolarHBondContact OD1-ND2 3.06Å; V9-N36 PolarHBondContact O-N 3.13Å; L10-N36 HydrophobicContact CD2-CB 4.35Å; F11-N36 WeakPolarHBondContact CB-O 3.48Å; F11-N36 PolarHBondContact N-O 2.98Å; N36-R77 CarbonylContact C-O 3.48Å; N36-R77 WeakPolarHBondContact CA-O 3.2Å; N36-R77 HydrophobicContact CB-CG 4.45Å; N36-R77 PolarHBondContact OD1-NE 2.91Å; N36-T79 VanDerWaalsContact CG-OG1 3.26Å; N36-T79 PolarHBondContact ND2-OG1 2.85Å; N36-T79 VanDerWaalsContact ND2-OG1 3.14Å; N36-T79 WeakPolarHBondContact OD1-CB 3.42Å; N36-T79 PolarHBondContact OD1-N 3.01Å; N36-T79 PolarHBondContact OD1-OG1 3.15Å
37	Y	95.5	Very high	86.5	Confident	10 Å²	10	61.9 Å²	61.9	4%	0.039	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116.1	170.9	-62.4	-102.3	0	0	0	107.8	F11 I35 P50 P52 V53 N76 R77 T79 F98	F11-Y37 HydrophobicContact CB-CD1 4.06Å; F11-Y37 HydrophobicContact CB-CE1 4.15Å; F11-Y37 HydrophobicContact CB-CG 4.31Å; F11-Y37 AromaticContact CD1-CD1 3.95Å; F11-Y37 HydrophobicContact CD1-CD1 3.95Å; F11-Y37 AromaticContact CD1-CE1 3.83Å; F11-Y37 HydrophobicContact CD1-CE1 3.83Å; F11-Y37 HydrophobicContact CD2-CD1 4.23Å; F11-Y37 AromaticContact CD2-CE1 3.48Å; F11-Y37 HydrophobicContact CD2-CE1 3.48Å; F11-Y37 VanDerWaalsContact CD2-CE1 3.48Å; F11-Y37 HydrophobicContact CD2-CE2 4.44Å; F11-Y37 AromaticContact CD2-CZ 3.62Å; F11-Y37 HydrophobicContact CE1-CD1 4.49Å; F11-Y37 HydrophobicContact CE1-CE1 4.08Å; F11-Y37 AromaticContact CE2-CE1 3.75Å; F11-Y37 HydrophobicContact CE2-CE1 3.75Å; F11-Y37 AromaticContact CE2-CZ 3.99Å; F11-Y37 AromaticContact CG-CD1 3.8Å; F11-Y37 HydrophobicContact CG-CD1 3.8Å; F11-Y37 AromaticContact CG-CE1 3.52Å; F11-Y37 HydrophobicContact CG-CE1 3.52Å; F11-Y37 HydrophobicContact CZ-CE1 4.03Å; I35-Y37 HydrophobicContact CB-CE2 4.46Å; I35-Y37 HydrophobicContact CG2-CD2 4.46Å; I35-Y37 HydrophobicContact CG2-CE2 3.88Å; Y37-P50 HydrophobicContact CD1-CB 4.37Å; Y37-P52 HydrophobicContact CE2-CB 4.35Å; Y37-V53 PolarHBondContact OH-N 3.33Å; Y37-N76 HydrophobicContact CE2-CB 4.43Å; Y37-N76 WeakPolarHBondContact CE2-OD1 3.29Å; Y37-R77 WeakPolarHBondContact CD2-O 3.24Å; Y37-R77 PolarHBondContact N-O 3.15Å; Y37-T79 PolarHBondContact O-N 3.07Å; Y37-F98 HydrophobicContact CD2-CD1 4.37Å; Y37-F98 AromaticContact CD2-CE1 3.64Å; Y37-F98 HydrophobicContact CD2-CE1 3.64Å; Y37-F98 HydrophobicContact CE2-CE1 4.23Å; Y37-F98 AromaticContact CG-CE1 3.94Å; Y37-F98 HydrophobicContact CG-CE1 3.94Å
38	V	93.9	Very high	85.8	Confident	74 Å²	74	64.3 Å²	64.3	45%	0.448	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.1	179	-176.7	0	0	0	0	108.9	L10 T79 V81	L10-V38 HydrophobicContact CD2-CG2 3.76Å; V38-T79 WeakPolarHBondContact CA-O 3.29Å; V38-V81 HydrophobicContact CG1-CG2 3.87Å
39	F	93.1	Very high	85.3	Confident	17 Å²	17	62.4 Å²	62.4	8%	0.075	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.2	176.6	-179.8	-119.8	0	0	0	109.6	P41 Q47 E48 V49 L78 T79 V80 V81	F39-P41 HydrophobicContact CD1-CG 3.88Å; F39-P41 HydrophobicContact CE1-CB 4.31Å; F39-P41 HydrophobicContact CE1-CG 3.57Å; F39-P41 HydrophobicContact CZ-CB 4.49Å; F39-P41 HydrophobicContact CZ-CG 4.17Å; F39-P41 WeakPolarHBondContact O-CD 3.46Å; F39-Q47 HydrophobicContact CE2-CB 3.88Å; F39-Q47 HydrophobicContact CZ-CB 4.28Å; F39-E48 WeakPolarHBondContact CE2-O 3.33Å; F39-V49 HydrophobicContact CD1-CG2 4.19Å; F39-V49 HydrophobicContact CE1-CG2 3.83Å; F39-V49 HydrophobicContact CZ-CG2 4.14Å; F39-L78 HydrophobicContact CB-CD1 3.98Å; F39-T79 PolarHBondContact N-O 3.13Å; F39-V80 HydrophobicContact CD1-CG1 4.37Å; F39-V80 HydrophobicContact CD1-CG2 4.47Å; F39-V80 WeakPolarHBondContact O-CA 3.3Å; F39-V81 PolarHBondContact O-N 3.29Å
40	E	90.6	Very high	85	Confident	112 Å²	112	63.7 Å²	63.7	52%	0.523	31%	0.314	S	S	.	.			trans	-113.4	98.9	178.1	-174.6	173.9	-172.6	0	0	109.5	T42 Q47 V81	E40-T42 PolarHBondContact O-N 3.4Å; E40-Q47 PolarHBondContact O-OE1 3.33Å; E40-V81 HydrophobicContact CB-CB 4.18Å; E40-V81 HydrophobicContact CB-CG2 4.3Å; E40-V81 HydrophobicContact CG-CB 4.09Å; E40-V81 HydrophobicContact CG-CG1 4.29Å
41	P	83.3	Confident	84.6	Confident	22 Å²	22	68.3 Å²	68.3	14%	0.143	35%	0.347	C	S	.	.			trans	-66	125.7	-179.6	-18.8	33.3	0	0	0	109.8	F39 V80 V81 H87	F39-P41 HydrophobicContact CD1-CG 3.88Å; F39-P41 HydrophobicContact CE1-CB 4.31Å; F39-P41 HydrophobicContact CE1-CG 3.57Å; F39-P41 HydrophobicContact CZ-CB 4.49Å; F39-P41 HydrophobicContact CZ-CG 4.17Å; F39-P41 WeakPolarHBondContact O-CD 3.46Å; P41-V80 HydrophobicContact CG-CG1 4.4Å; P41-V81 VanDerWaalsContact CD-O 3.28Å; P41-V81 WeakPolarHBondContact CD-O 3.47Å; P41-H87 HydrophobicContact CB-CB 4.25Å; P41-H87 HydrophobicContact CG-CB 3.82Å; P41-H87 PolarHBondContact O-CE1 2.83Å
42	T	78	Confident	84.3	Confident	64 Å²	64	69 Å²	69	39%	0.393	35%	0.351	S	S	.	.			trans	-111.6	143.7	173.2	60.1	0	0	0	0	110.4	E40 K44 Q47	E40-T42 PolarHBondContact O-N 3.4Å; T42-K44 PolarHBondContact O-N 2.96Å; T42-K44 VanDerWaalsContact O-N 3.12Å; T42-Q47 PolarHBondContact OG1-NE2 2.87Å
43	T	65.9	Low	83.8	Confident	114 Å²	114	70.4 Å²	70.4	70%	0.699	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.4	-178.1	49.6	0	0	0	0	114.1
44	K	63.2	Low	83.2	Confident	188 Å²	188	73.3 Å²	73.3	82%	0.817	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-17.6	-168.7	-65.1	-173.5	179.3	179.8	0	114.7	T42	T42-K44 PolarHBondContact O-N 2.96Å; T42-K44 VanDerWaalsContact O-N 3.12Å
45	K	59.8	Low	82.6	Confident	167 Å²	167	75.4 Å²	75.4	73%	0.726	39%	0.389	S	S	*	.	S	Bend	trans	-149	144.6	174.6	-69.6	-171.7	179.5	179.6	0	110.2	Q47	K45-Q47 PolarHBondContact O-N 3.49Å
46	K	60.8	Low	82	Confident	217 Å²	217	79.8 Å²	79.8	94%	0.943	42%	0.419	S	S	*	.			trans	-67	86.9	169.8	-157.5	179.7	-174.4	-173.9	0	107.7
47	Q	71.6	Confident	81.3	Confident	93 Å²	93	84.8 Å²	84.8	44%	0.435	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-79.7	133.1	176.7	-67.8	-175.4	8.9	0	0	108.8	F39 E40 T42 K45	F39-Q47 HydrophobicContact CE2-CB 3.88Å; F39-Q47 HydrophobicContact CZ-CB 4.28Å; E40-Q47 PolarHBondContact O-OE1 3.33Å; T42-Q47 PolarHBondContact OG1-NE2 2.87Å; K45-Q47 PolarHBondContact O-N 3.49Å
48	E	80.8	Confident	80.6	Confident	175 Å²	175	84.9 Å²	84.9	82%	0.818	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-83.2	143.2	175.9	-65.3	-177.3	169.4	0	0	109.6	F39	F39-E48 WeakPolarHBondContact CE2-O 3.33Å
49	V	84.7	Confident	80	Confident	15 Å²	15	81.6 Å²	81.6	9%	0.091	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-62.3	131.8	172.6	178.7	0	0	0	0	107.1	F39 L78 E94 Y95 F98	F39-V49 HydrophobicContact CD1-CG2 4.19Å; F39-V49 HydrophobicContact CE1-CG2 3.83Å; F39-V49 HydrophobicContact CZ-CG2 4.14Å; V49-L78 HydrophobicContact CG1-CD1 4.14Å; V49-L78 HydrophobicContact CG1-CD2 3.74Å; V49-E94 HydrophobicContact CB-CB 3.98Å; V49-E94 HydrophobicContact CB-CG 4.35Å; V49-E94 HydrophobicContact CG1-CB 4.08Å; V49-E94 HydrophobicContact CG2-CB 4.37Å; V49-Y95 HydrophobicContact CG1-CD1 4.43Å; V49-Y95 HydrophobicContact CG1-CE1 4.34Å; V49-Y95 HydrophobicContact CG2-CE1 4.08Å; V49-F98 HydrophobicContact CG1-CE2 4.17Å
50	P	88.3	Confident	79.4	Confident	42 Å²	42	84.5 Å²	84.5	27%	0.273	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-58.6	145.1	179.5	23.6	-33.3	0	0	0	110.5	Y37 L78 F98	Y37-P50 HydrophobicContact CD1-CB 4.37Å; P50-L78 HydrophobicContact CG-CD1 4.08Å; P50-F98 HydrophobicContact CG-CZ 4.43Å; P50-F98 VanDerWaalsContact O-CE2 3.31Å; P50-F98 WeakPolarHBondContact O-CE2 3.29Å; P50-F98 WeakPolarHBondContact O-CZ 3.41Å
51	S	88.4	Confident	79.2	Confident	99 Å²	99	86.1 Å²	86.1	69%	0.692	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-88.7	135.1	167.6	52.4	0	0	0	0	109.3	V53	S51-V53 PolarHBondContact O-N 3.38Å
52	P	89.1	Confident	79.6	Confident	25 Å²	25	87.4 Å²	87.4	16%	0.162	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-67.9	132.2	176.5	26.3	-30.4	0	0	0	109.8	Y37 N76 A97 F98	Y37-P52 HydrophobicContact CE2-CB 4.35Å; P52-N76 HydrophobicContact CB-CB 3.81Å; P52-A97 HydrophobicContact CG-CB 3.82Å; P52-F98 HydrophobicContact CB-CD1 4.16Å; P52-F98 HydrophobicContact CB-CE1 3.82Å; P52-F98 HydrophobicContact CB-CZ 4.35Å; P52-F98 HydrophobicContact CG-CD1 4.29Å; P52-F98 HydrophobicContact CG-CE1 4.11Å; P52-F98 HydrophobicContact CG-CZ 4.29Å
53	V	85.8	Confident	80.3	Confident	40 Å²	40	85.5 Å²	85.5	24%	0.242	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-75.1	137.5	175.2	-175.3	0	0	0	0	108.7	F11 Y37 S51 I55 E57 L58	F11-V53 HydrophobicContact CZ-CG2 4.48Å; Y37-V53 PolarHBondContact OH-N 3.33Å; S51-V53 PolarHBondContact O-N 3.38Å; V53-I55 PolarHBondContact O-N 3.11Å; V53-E57 HydrophobicContact CG1-CB 4.11Å; V53-L58 HydrophobicContact CB-CD1 3.99Å; V53-L58 HydrophobicContact CB-CD2 3.82Å; V53-L58 HydrophobicContact CB-CG 3.84Å; V53-L58 HydrophobicContact CG1-CD1 4.4Å; V53-L58 HydrophobicContact CG1-CD2 3.69Å; V53-L58 HydrophobicContact CG1-CG 3.72Å; V53-L58 HydrophobicContact CG2-CD2 4.35Å
54	P	84.4	Confident	81.7	Confident	62 Å²	62	84.1 Å²	84.1	40%	0.403	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-55	133.5	174.5	-25.5	34.9	0	0	0	111.4	S56 E57 L58	P54-S56 PolarHBondContact O-N 2.65Å; P54-E57 HydrophobicContact CB-CG 4.2Å; P54-E57 HydrophobicContact CG-CG 4.49Å; P54-E57 WeakPolarHBondContact O-CB 3.46Å; P54-E57 PolarHBondContact O-N 3.37Å; P54-L58 PolarHBondContact O-N 3Å
55	I	85.1	Confident	83.1	Confident	43 Å²	43	75.3 Å²	75.3	22%	0.221	41%	0.413	C	S	.	.	H	α-helix	trans	-59.3	-34.5	-176.2	-64.8	158	0	0	0	111.3	V53 E57 L58 I59 L62 V74	V53-I55 PolarHBondContact O-N 3.11Å; I55-E57 PolarHBondContact O-N 3.48Å; I55-L58 PolarHBondContact O-N 3.34Å; I55-L58 VanDerWaalsContact O-N 3.15Å; I55-I59 PolarHBondContact O-N 3.36Å; I55-L62 HydrophobicContact CG2-CD2 4.1Å; I55-V74 HydrophobicContact CD1-CB 3.94Å; I55-V74 HydrophobicContact CD1-CG1 4.08Å; I55-V74 WeakPolarHBondContact CD1-O 3.43Å; I55-V74 HydrophobicContact CG1-CB 4.27Å; I55-V74 HydrophobicContact CG1-CG1 4.05Å; I55-V74 HydrophobicContact CG2-CB 4.02Å; I55-V74 HydrophobicContact CG2-CG1 4.29Å; I55-V74 HydrophobicContact CG2-CG2 4.47Å
56	S	82.4	Confident	84.5	Confident	92 Å²	92	72.8 Å²	72.8	64%	0.643	40%	0.404	S	S	*	.	H	α-helix	trans	-60.5	-29.3	175.6	50.6	0	0	0	0	113.7	P54	P54-S56 PolarHBondContact O-N 2.65Å
57	E	82.9	Confident	85.7	Confident	109 Å²	109	65.7 Å²	65.7	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-85.5	-27.1	177.1	-64.8	178.3	-162.1	0	0	112.4	V53 P54 I55	V53-E57 HydrophobicContact CG1-CB 4.11Å; P54-E57 HydrophobicContact CB-CG 4.2Å; P54-E57 HydrophobicContact CG-CG 4.49Å; P54-E57 WeakPolarHBondContact O-CB 3.46Å; P54-E57 PolarHBondContact O-N 3.37Å; I55-E57 PolarHBondContact O-N 3.48Å
58	L	79.8	Confident	86.4	Confident	13 Å²	13	65.2 Å²	65.2	7%	0.068	39%	0.387	C	S	.	.	H	α-helix	trans	-79.2	-43	177.6	-68	176	0	0	0	111.9	F11 L18 I35 V53 P54 I55	F11-L58 HydrophobicContact CE2-CD2 4.02Å; L18-L58 HydrophobicContact CD2-CB 4.24Å; L18-L58 HydrophobicContact CD2-CD1 4.15Å; L18-L58 HydrophobicContact CD2-CD2 4.11Å; L18-L58 HydrophobicContact CD2-CG 4.41Å; I35-L58 HydrophobicContact CD1-CD1 4.09Å; V53-L58 HydrophobicContact CB-CD1 3.99Å; V53-L58 HydrophobicContact CB-CD2 3.82Å; V53-L58 HydrophobicContact CB-CG 3.84Å; V53-L58 HydrophobicContact CG1-CD1 4.4Å; V53-L58 HydrophobicContact CG1-CD2 3.69Å; V53-L58 HydrophobicContact CG1-CG 3.72Å; V53-L58 HydrophobicContact CG2-CD2 4.35Å; P54-L58 PolarHBondContact O-N 3Å; I55-L58 PolarHBondContact O-N 3.34Å; I55-L58 VanDerWaalsContact O-N 3.15Å
59	I	82.1	Confident	86.7	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	39%	0.386	C	S	.	.			trans	-138.9	108.2	-173.1	-52.3	174.1	0	0	0	107.4	V22 I55 H61 L62	V22-I59 HydrophobicContact CB-CD1 3.85Å; V22-I59 HydrophobicContact CG1-CD1 3.96Å; V22-I59 HydrophobicContact CG2-CD1 3.56Å; I55-I59 PolarHBondContact O-N 3.36Å; I59-H61 WeakPolarHBondContact CG2-O 3.49Å; I59-H61 PolarHBondContact O-N 3.05Å; I59-L62 HydrophobicContact CB-CD2 4.22Å; I59-L62 HydrophobicContact CD1-CD2 4.35Å; I59-L62 HydrophobicContact CG2-CD2 4.01Å
60	G	80.1	Confident	87	Confident	78 Å²	78	70.9 Å²	70.9	80%	0.804	42%	0.416	S	S	*	.	S	Bend	trans	-62.7	-43.4	-175.9	0	0	0	0	0	113.2
61	H	87.1	Confident	87.2	Confident	146 Å²	146	72.6 Å²	72.6	68%	0.676	43%	0.428	S	S	*	.	S	Bend	trans	-130.4	125	177.7	178.6	-80.7	0	0	0	110.8	I59	I59-H61 WeakPolarHBondContact CG2-O 3.49Å; I59-H61 PolarHBondContact O-N 3.05Å
62	L	91.5	Very high	87.5	Confident	48 Å²	48	68 Å²	68	25%	0.251	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-79.3	128.7	-179.8	-66.1	173.9	0	0	0	111	I55 I59 P71 I72 V74	I55-L62 HydrophobicContact CG2-CD2 4.1Å; I59-L62 HydrophobicContact CB-CD2 4.22Å; I59-L62 HydrophobicContact CD1-CD2 4.35Å; I59-L62 HydrophobicContact CG2-CD2 4.01Å; L62-P71 HydrophobicContact CB-CB 4.06Å; L62-I72 HydrophobicContact CB-CG2 4.38Å; L62-I72 HydrophobicContact CD2-CG2 4.43Å; L62-V74 HydrophobicContact CD2-CG2 3.73Å
63	P	93.1	Very high	87.8	Confident	24 Å²	24	71.7 Å²	71.7	16%	0.156	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-66.9	148.3	-179.1	27.1	-34.5	0	0	0	112	V22 E23 A26 P71 I72	V22-P63 HydrophobicContact CG1-CG 4.06Å; E23-P63 HydrophobicContact CG-CB 4.29Å; E23-P63 HydrophobicContact CG-CG 4.1Å; A26-P63 HydrophobicContact CB-CB 3.94Å; A26-P63 HydrophobicContact CB-CG 3.7Å; P63-P71 WeakPolarHBondContact O-CA 3.43Å; P63-I72 HydrophobicContact CG-CG2 3.89Å; P63-I72 PolarHBondContact O-N 2.89Å
64	V	94.2	Very high	88.3	Confident	85 Å²	85	70.2 Å²	70.2	52%	0.515	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-76.3	132.7	173	-179.2	0	0	0	0	109.2	R68	V64-R68 WeakPolarHBondContact CG1-O 3.45Å
65	V	93.3	Very high	88.8	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.024	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-71.6	132.5	-177.1	-179.8	0	0	0	0	110.1	A26 F30 G67 R68 R70 I72	A26-V65 HydrophobicContact CB-CG2 4.5Å; F30-V65 WeakPolarHBondContact O-CG1 3.41Å; F30-V65 VanDerWaalsContact O-CG2 3.31Å; F30-V65 WeakPolarHBondContact O-CG2 3.32Å; V65-G67 PolarHBondContact O-N 3.08Å; V65-R68 HydrophobicContact CB-CB 4.21Å; V65-R68 HydrophobicContact CG1-CG 4.5Å; V65-R68 CarbonylContact O-C 3.53Å; V65-R68 PolarHBondContact O-N 3.38Å; V65-R70 PolarHBondContact N-O 2.7Å; V65-R70 VanDerWaalsContact N-O 3.14Å; V65-I72 HydrophobicContact CG2-CB 3.78Å; V65-I72 HydrophobicContact CG2-CG1 4.25Å
66	Q	89.6	Confident	89.3	Confident	113 Å²	113	66.4 Å²	66.4	53%	0.528	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	132.8	177.7	-179.7	165.3	-42.1	0	0	111.2	A26 H27 R68	A26-Q66 PolarHBondContact O-N 3.13Å; H27-Q66 PolarHBondContact CE1-OE1 2.91Å; H27-Q66 PolarHBondContact ND1-OE1 3.32Å; H27-Q66 VanDerWaalsContact O-CB 3.26Å; H27-Q66 WeakPolarHBondContact O-CB 3.39Å; H27-Q66 VanDerWaalsContact O-CD 3.28Å; H27-Q66 PolarHBondContact O-OE1 3.49Å; H27-Q66 VanDerWaalsContact O-OE1 3.06Å; Q66-R68 PolarHBondContact O-N 3Å
67	G	86	Confident	89.9	Confident	68 Å²	68	62 Å²	62	70%	0.701	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	7.1	-176.5	0	0	0	0	0	114.4	V65	V65-G67 PolarHBondContact O-N 3.08Å
68	R	85.9	Confident	90.6	Very high	84 Å²	84	56.8 Å²	56.8	32%	0.317	32%	0.322	S	S	.	.	S	Bend	trans	-135.5	162.6	175.6	-62.6	-172.9	173.1	-150.4	-5.1	110.9	S2 S31 V64 V65 Q66	S2-R68 PolarHBondContact O-NH2 2.86Å; S31-R68 PolarHBondContact OG-NE 3.3Å; S31-R68 PolarHBondContact OG-NH1 3.07Å; V64-R68 WeakPolarHBondContact CG1-O 3.45Å; V65-R68 HydrophobicContact CB-CB 4.21Å; V65-R68 HydrophobicContact CG1-CG 4.5Å; V65-R68 CarbonylContact O-C 3.53Å; V65-R68 PolarHBondContact O-N 3.38Å; Q66-R68 PolarHBondContact O-N 3Å
69	S	86.2	Confident	91.4	Very high	115 Å²	115	56.3 Å²	56.3	80%	0.804	32%	0.319	S	S	*	.	S	Bend	trans	-103	15.8	178.5	60.9	0	0	0	0	113.4
70	R	90.8	Very high	92	Very high	193 Å²	193	56 Å²	56	73%	0.728	32%	0.318	S	S	*	.	S	Bend	trans	-120.1	145.9	-176.4	-66.2	-172.6	-179	-170.1	-0.5	110.9	V65	V65-R70 PolarHBondContact N-O 2.7Å; V65-R70 VanDerWaalsContact N-O 3.14Å
71	P	93.8	Very high	92.7	Very high	79 Å²	79	52.9 Å²	52.9	51%	0.513	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-64.8	154.1	172.2	29	-34.6	0	0	0	110.9	L62 P63	L62-P71 HydrophobicContact CB-CB 4.06Å; P63-P71 WeakPolarHBondContact O-CA 3.43Å
72	I	94.8	Very high	92.9	Very high	2 Å²	2	46 Å²	46	1%	0.01	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-64.1	136.8	174.7	-166.9	166.5	0	0	0	110.7	V22 A25 A26 F30 V33 L62 P63 V65 V74	V22-I72 HydrophobicContact CG1-CD1 4.39Å; V22-I72 HydrophobicContact CG1-CG2 3.66Å; A25-I72 HydrophobicContact CB-CD1 4.16Å; A26-I72 HydrophobicContact CB-CB 4.38Å; A26-I72 HydrophobicContact CB-CD1 4.11Å; F30-I72 WeakPolarHBondContact O-CD1 3.44Å; V33-I72 HydrophobicContact CB-CD1 4.32Å; V33-I72 HydrophobicContact CG2-CD1 3.64Å; V33-I72 HydrophobicContact CG2-CG1 4.48Å; L62-I72 HydrophobicContact CB-CG2 4.38Å; L62-I72 HydrophobicContact CD2-CG2 4.43Å; P63-I72 HydrophobicContact CG-CG2 3.89Å; P63-I72 PolarHBondContact O-N 2.89Å; V65-I72 HydrophobicContact CG2-CB 3.78Å; V65-I72 HydrophobicContact CG2-CG1 4.25Å; I72-V74 HydrophobicContact CG2-CG2 4.38Å
73	K	95	Very high	92.9	Very high	102 Å²	102	46.2 Å²	46.2	44%	0.443	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.3	172.7	-171.2	-177.1	-173.4	-170	0	109	S31 T32 V33 L75	S31-K73 PolarHBondContact O-N 2.78Å; T32-K73 CarbonylContact C-O 3.5Å; T32-K73 VanDerWaalsContact CA-O 3.24Å; T32-K73 WeakPolarHBondContact CA-O 3.46Å; T32-K73 HydrophobicContact CG2-CB 4.14Å; T32-K73 HydrophobicContact CG2-CD 4.35Å; T32-K73 HydrophobicContact CG2-CG 4.38Å; V33-K73 PolarHBondContact N-O 3.18Å; K73-L75 HydrophobicContact CD-CD2 4.24Å; K73-L75 HydrophobicContact CG-CD2 4.36Å
74	V	95.5	Very high	92.7	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.5	174.7	-177.7	0	0	0	0	108.8	V22 V33 I35 I55 L62 I72	V22-V74 HydrophobicContact CG1-CG2 4.2Å; V33-V74 CarbonylContact O-C 3.6Å; V33-V74 WeakPolarHBondContact O-CA 3.29Å; I35-V74 HydrophobicContact CD1-CG1 3.42Å; I35-V74 VanDerWaalsContact CD1-CG1 3.42Å; I35-V74 HydrophobicContact CG1-CG1 3.81Å; I55-V74 HydrophobicContact CD1-CB 3.94Å; I55-V74 HydrophobicContact CD1-CG1 4.08Å; I55-V74 WeakPolarHBondContact CD1-O 3.43Å; I55-V74 HydrophobicContact CG1-CB 4.27Å; I55-V74 HydrophobicContact CG1-CG1 4.05Å; I55-V74 HydrophobicContact CG2-CB 4.02Å; I55-V74 HydrophobicContact CG2-CG1 4.29Å; I55-V74 HydrophobicContact CG2-CG2 4.47Å; L62-V74 HydrophobicContact CD2-CG2 3.73Å; I72-V74 HydrophobicContact CG2-CG2 4.38Å
75	L	95.7	Very high	92.4	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155.3	178.7	-62.1	177.1	0	0	0	110.1	T32 V33 A34 I35 K73 D99 L227	T32-L75 HydrophobicContact CG2-CD1 3.66Å; T32-L75 HydrophobicContact CG2-CG 3.97Å; V33-L75 PolarHBondContact O-N 2.99Å; A34-L75 CarbonylContact C-O 3.58Å; A34-L75 WeakPolarHBondContact CA-O 3.42Å; A34-L75 HydrophobicContact CB-CB 4.04Å; I35-L75 PolarHBondContact N-O 3.45Å; K73-L75 HydrophobicContact CD-CD2 4.24Å; K73-L75 HydrophobicContact CG-CD2 4.36Å; L75-D99 HydrophobicContact CB-CB 4.18Å; L75-D99 HydrophobicContact CD2-CB 4.23Å; L75-L227 HydrophobicContact CD1-CD1 4.18Å; L75-L227 HydrophobicContact CD1-CD2 3.37Å; L75-L227 HydrophobicContact CD1-CG 4.42Å
76	N	95.4	Very high	92.2	Very high	15 Å²	15	52.2 Å²	52.2	8%	0.08	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.1	172	-71.3	-53	0	0	0	110.6	Y37 P52 F98 D99 L100	Y37-N76 HydrophobicContact CE2-CB 4.43Å; Y37-N76 WeakPolarHBondContact CE2-OD1 3.29Å; P52-N76 HydrophobicContact CB-CB 3.81Å; N76-F98 HydrophobicContact CB-CD1 4.11Å; N76-D99 PolarHBondContact N-OD2 2.83Å; N76-D99 WeakPolarHBondContact O-CA 3.25Å; N76-D99 WeakPolarHBondContact O-CB 3.36Å; N76-D99 PolarHBondContact O-N 3.18Å; N76-L100 PolarHBondContact O-N 2.81Å; N76-L100 VanDerWaalsContact O-N 3.13Å
77	R	96	Very high	92.2	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.1	179.7	172.1	-177.2	160.9	174.2	-0.2	110.3	L7 A34 I35 N36 Y37 T79 L100 A102 C124 E151	L7-R77 WeakPolarHBondContact O-CD 3.32Å; L7-R77 PolarHBondContact O-NH1 2.89Å; A34-R77 HydrophobicContact CB-CB 4.09Å; I35-R77 PolarHBondContact O-N 2.92Å; N36-R77 CarbonylContact C-O 3.48Å; N36-R77 WeakPolarHBondContact CA-O 3.2Å; N36-R77 HydrophobicContact CB-CG 4.45Å; N36-R77 PolarHBondContact OD1-NE 2.91Å; Y37-R77 WeakPolarHBondContact CD2-O 3.24Å; Y37-R77 PolarHBondContact N-O 3.15Å; R77-T79 PolarHBondContact NE-OG1 3Å; R77-T79 VanDerWaalsContact NE-OG1 3.16Å; R77-T79 PolarHBondContact NH2-OG1 3.31Å; R77-L100 CarbonylContact C-O 3.59Å; R77-L100 WeakPolarHBondContact CA-O 3.37Å; R77-L100 HydrophobicContact CB-CB 3.9Å; R77-L100 HydrophobicContact CG-CB 3.86Å; R77-A102 VanDerWaalsContact NH2-CB 3.35Å; R77-C124 PolarHBondContact NH2-SG 2.58Å; R77-E151 IonicContact CZ-OE1 2.87Å; R77-E151 IonicContact CZ-OE2 2.84Å; R77-E151 IonicContact NH1-OE1 2.88Å; R77-E151 PolarHBondContact NH1-OE1 3.37Å; R77-E151 IonicContact NH1-OE2 3.67Å; R77-E151 PolarHBondContact NH1-OE2 2.93Å; R77-E151 IonicContact NH2-OE1 3.58Å; R77-E151 IonicContact NH2-OE2 3.72Å; R77-E151 PolarHBondContact NH2-OE2 2.94Å
78	L	96.4	Very high	92.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.5	168.7	179.8	68.5	0	0	0	109.6	F39 V49 P50 V80 Y95 F98 L100 L101 A102	F39-L78 HydrophobicContact CB-CD1 3.98Å; V49-L78 HydrophobicContact CG1-CD1 4.14Å; V49-L78 HydrophobicContact CG1-CD2 3.74Å; P50-L78 HydrophobicContact CG-CD1 4.08Å; L78-V80 HydrophobicContact CD2-CG2 4.02Å; L78-V80 HydrophobicContact CG-CG2 4.1Å; L78-Y95 HydrophobicContact CD2-CD1 3.44Å; L78-Y95 VanDerWaalsContact CD2-CD1 3.44Å; L78-Y95 HydrophobicContact CD2-CE1 3.67Å; L78-Y95 HydrophobicContact CD2-CG 4.4Å; L78-F98 HydrophobicContact CB-CB 4.13Å; L78-F98 HydrophobicContact CB-CD1 3.77Å; L78-F98 HydrophobicContact CB-CD2 3.72Å; L78-F98 HydrophobicContact CB-CE1 4.03Å; L78-F98 HydrophobicContact CB-CE2 3.97Å; L78-F98 HydrophobicContact CB-CG 3.59Å; L78-F98 HydrophobicContact CB-CZ 4.1Å; L78-F98 HydrophobicContact CD1-CE1 4.47Å; L78-F98 HydrophobicContact CD1-CE2 4.11Å; L78-F98 HydrophobicContact CD1-CZ 3.98Å; L78-F98 HydrophobicContact CD2-CD2 3.97Å; L78-F98 HydrophobicContact CD2-CE2 3.93Å; L78-F98 HydrophobicContact CG-CD2 4.34Å; L78-F98 HydrophobicContact CG-CE2 4.24Å; L78-F98 HydrophobicContact CG-CZ 4.46Å; L78-L100 PolarHBondContact N-O 3.24Å; L78-L101 HydrophobicContact CB-CD1 4.18Å; L78-L101 HydrophobicContact CD2-CD1 3.91Å; L78-L101 HydrophobicContact CG-CD1 4.27Å; L78-A102 PolarHBondContact O-N 2.98Å
79	T	96.6	Very high	92.5	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.3	167.5	-59	0	0	0	0	109.5	N36 Y37 V38 F39 R77 A102 Q104	N36-T79 VanDerWaalsContact CG-OG1 3.26Å; N36-T79 PolarHBondContact ND2-OG1 2.85Å; N36-T79 VanDerWaalsContact ND2-OG1 3.14Å; N36-T79 WeakPolarHBondContact OD1-CB 3.42Å; N36-T79 PolarHBondContact OD1-N 3.01Å; N36-T79 PolarHBondContact OD1-OG1 3.15Å; Y37-T79 PolarHBondContact O-N 3.07Å; V38-T79 WeakPolarHBondContact CA-O 3.29Å; F39-T79 PolarHBondContact N-O 3.13Å; R77-T79 PolarHBondContact NE-OG1 3Å; R77-T79 VanDerWaalsContact NE-OG1 3.16Å; R77-T79 PolarHBondContact NH2-OG1 3.31Å; T79-A102 CarbonylContact C-O 3.56Å; T79-A102 WeakPolarHBondContact CA-O 3.36Å; T79-A102 HydrophobicContact CG2-CB 4.29Å; T79-Q104 HydrophobicContact CG2-CB 4.18Å
80	V	95.3	Very high	92.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.6	176.1	-177.4	0	0	0	0	109.6	F39 P41 L78 M82 Y95 A102 I103 Q104	F39-V80 HydrophobicContact CD1-CG1 4.37Å; F39-V80 HydrophobicContact CD1-CG2 4.47Å; F39-V80 WeakPolarHBondContact O-CA 3.3Å; P41-V80 HydrophobicContact CG-CG1 4.4Å; L78-V80 HydrophobicContact CD2-CG2 4.02Å; L78-V80 HydrophobicContact CG-CG2 4.1Å; V80-M82 PolarHBondContact O-N 3.18Å; V80-Y95 HydrophobicContact CG2-CE1 4.37Å; V80-A102 PolarHBondContact N-O 3.37Å; V80-I103 WeakPolarHBondContact O-CA 3.4Å; V80-Q104 PolarHBondContact O-N 2.71Å
81	V	94	Very high	92	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.067	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	112.7	172.9	-176.5	0	0	0	0	108.6	V38 F39 E40 P41 Q104 T106	V38-V81 HydrophobicContact CG1-CG2 3.87Å; F39-V81 PolarHBondContact O-N 3.29Å; E40-V81 HydrophobicContact CB-CB 4.18Å; E40-V81 HydrophobicContact CB-CG2 4.3Å; E40-V81 HydrophobicContact CG-CB 4.09Å; E40-V81 HydrophobicContact CG-CG1 4.29Å; P41-V81 VanDerWaalsContact CD-O 3.28Å; P41-V81 WeakPolarHBondContact CD-O 3.47Å; V81-Q104 HydrophobicContact CG2-CB 4.49Å; V81-T106 HydrophobicContact CG1-CG2 3.99Å
82	M	92.1	Very high	91.7	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	98.9	-173.3	-167	170.1	81.5	0	0	110	V80 E84 H87 F88 I103 Q104 P105 T106 L110 T114	V80-M82 PolarHBondContact O-N 3.18Å; M82-E84 VanDerWaalsContact CG-O 3.24Å; M82-E84 WeakPolarHBondContact CG-O 3.38Å; M82-H87 HydrophobicContact CG-CB 4.38Å; M82-F88 HydrophobicContact SD-CB 3.83Å; M82-I103 HydrophobicContact CB-CG2 3.77Å; M82-I103 HydrophobicContact CE-CG2 4.33Å; M82-I103 HydrophobicContact SD-CG2 4.22Å; M82-Q104 PolarHBondContact N-O 3.24Å; M82-P105 HydrophobicContact CE-CB 4.5Å; M82-T106 PolarHBondContact O-N 3.13Å; M82-T106 VanDerWaalsContact O-N 3.13Å; M82-T106 PolarHBondContact O-OG1 3.27Å; M82-L110 HydrophobicContact CE-CB 3.58Å; M82-L110 HydrophobicContact CE-CD2 3.84Å; M82-L110 HydrophobicContact CE-CG 4.2Å; M82-L110 WeakPolarHBondContact CE-O 3.46Å; M82-L110 HydrophobicContact CG-CD1 4.44Å; M82-L110 HydrophobicContact CG-CD2 4.32Å; M82-L110 WeakPolarHBondContact O-CD1 3.22Å; M82-T114 WeakPolarHBondContact CE-OG1 2.89Å
83	S	90.3	Very high	91.4	Very high	52 Å²	52	43.6 Å²	43.6	36%	0.364	25%	0.246	S	C	.	.	S	Bend	trans	-98.1	-21.1	172.6	-60.3	0	0	0	0	113.2	H87 T106 L110	S83-H87 PolarHBondContact N-ND1 3.27Å; S83-T106 WeakPolarHBondContact CA-OG1 3.47Å; S83-L110 VanDerWaalsContact O-CD1 3.26Å; S83-L110 WeakPolarHBondContact O-CD1 3.27Å
84	E	89.4	Confident	91.2	Very high	96 Å²	96	42 Å²	42	45%	0.449	24%	0.239	S	C	.	.	S	Bend	trans	-135.3	154.9	170	-60.9	-176.4	-174.8	0	0	109.5	M82 S86 H87	M82-E84 VanDerWaalsContact CG-O 3.24Å; M82-E84 WeakPolarHBondContact CG-O 3.38Å; E84-S86 WeakPolarHBondContact CB-OG 3Å; E84-S86 PolarHBondContact O-N 2.88Å; E84-S86 PolarHBondContact OE2-OG 3.38Å; E84-H87 VanDerWaalsContact O-CB 3.26Å; E84-H87 WeakPolarHBondContact O-CB 3.13Å; E84-H87 PolarHBondContact O-N 3.02Å; E84-H87 VanDerWaalsContact O-N 3.14Å
85	A	88.4	Confident	91	Very high	66 Å²	66	41.8 Å²	41.8	55%	0.545	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-64.3	-25.4	178.7	0	0	0	0	0	112.7	H87 L110	A85-H87 PolarHBondContact O-N 3.26Å; A85-L110 HydrophobicContact CB-CD2 4.09Å
86	S	88.4	Confident	90.7	Very high	78 Å²	78	50.1 Å²	50.1	55%	0.545	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-67	-19.6	176.4	56.7	0	0	0	0	113.6	E84 F88	E84-S86 WeakPolarHBondContact CB-OG 3Å; E84-S86 PolarHBondContact O-N 2.88Å; E84-S86 PolarHBondContact OE2-OG 3.38Å; S86-F88 VanDerWaalsContact C-N 3.33Å; S86-F88 PolarHBondContact O-N 3.36Å
87	H	89.5	Confident	90.5	Very high	23 Å²	23	52 Å²	52	11%	0.106	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-70.6	-29	-176.1	-73.4	-164.6	0	0	0	112.9	P41 M82 S83 E84 A85	P41-H87 HydrophobicContact CB-CB 4.25Å; P41-H87 HydrophobicContact CG-CB 3.82Å; P41-H87 PolarHBondContact O-CE1 2.83Å; M82-H87 HydrophobicContact CG-CB 4.38Å; S83-H87 PolarHBondContact N-ND1 3.27Å; E84-H87 VanDerWaalsContact O-CB 3.26Å; E84-H87 WeakPolarHBondContact O-CB 3.13Å; E84-H87 PolarHBondContact O-N 3.02Å; E84-H87 VanDerWaalsContact O-N 3.14Å; A85-H87 PolarHBondContact O-N 3.26Å
88	F	89.8	Confident	90.4	Very high	13 Å²	13	52 Å²	52	6%	0.057	29%	0.286	C	S	.	.			trans	-98.3	127.4	177.9	-177.3	-108.5	0	0	0	110.8	M82 S86 P90 Y95 L101 I103 C118 V120	M82-F88 HydrophobicContact SD-CB 3.83Å; S86-F88 VanDerWaalsContact C-N 3.33Å; S86-F88 PolarHBondContact O-N 3.36Å; F88-P90 HydrophobicContact CD1-CG 4.03Å; F88-P90 HydrophobicContact CE1-CB 4.15Å; F88-P90 HydrophobicContact CE1-CG 3.84Å; F88-P90 WeakPolarHBondContact O-CD 3.44Å; F88-Y95 AromaticContact CD2-CE2 3.94Å; F88-Y95 HydrophobicContact CD2-CE2 3.94Å; F88-Y95 HydrophobicContact CE2-CD2 4.25Å; F88-Y95 AromaticContact CE2-CE2 3.64Å; F88-Y95 HydrophobicContact CE2-CE2 3.64Å; F88-Y95 HydrophobicContact CZ-CE2 4.34Å; F88-L101 HydrophobicContact CE2-CD2 4Å; F88-L101 HydrophobicContact CE2-CG 4.5Å; F88-L101 HydrophobicContact CZ-CD2 4.22Å; F88-I103 HydrophobicContact CB-CD1 4.37Å; F88-I103 HydrophobicContact CD1-CD1 4.01Å; F88-I103 HydrophobicContact CD2-CD1 3.48Å; F88-I103 VanDerWaalsContact CD2-CD1 3.48Å; F88-I103 HydrophobicContact CD2-CG1 3.86Å; F88-I103 HydrophobicContact CE1-CD1 4.13Å; F88-I103 HydrophobicContact CE2-CD1 3.63Å; F88-I103 HydrophobicContact CE2-CG1 4.07Å; F88-I103 HydrophobicContact CG-CD1 3.67Å; F88-I103 HydrophobicContact CG-CG1 4.43Å; F88-I103 HydrophobicContact CZ-CD1 3.95Å; F88-C118 HydrophobicContact CD1-CB 4.21Å; F88-C118 HydrophobicContact CE1-CB 3.88Å; F88-V120 HydrophobicContact CE1-CG1 4.36Å; F88-V120 HydrophobicContact CE2-CG1 3.72Å; F88-V120 HydrophobicContact CZ-CG1 3.5Å
89	R	89.6	Confident	90.3	Very high	104 Å²	104	54.2 Å²	54.2	39%	0.392	30%	0.298	S	S	.	.			trans	-115.8	94.8	-178.6	-66.6	-177.5	-65	147.9	0.2	110.1	N91 A92 E94 Y95	R89-N91 PolarHBondContact O-N 3.47Å; R89-A92 HydrophobicContact CB-CB 3.84Å; R89-A92 WeakPolarHBondContact O-CB 3.49Å; R89-A92 PolarHBondContact O-N 2.77Å; R89-E94 IonicContact CZ-OE1 2.74Å; R89-E94 VanDerWaalsContact CZ-OE1 3.32Å; R89-E94 IonicContact NH1-OE1 2.69Å; R89-E94 PolarHBondContact NH1-OE1 3.41Å; R89-E94 IonicContact NH1-OE2 3.32Å; R89-E94 IonicContact NH2-OE1 2.93Å; R89-E94 PolarHBondContact NH2-OE1 3.42Å; R89-E94 IonicContact NH2-OE2 3.7Å; R89-Y95 HydrophobicContact CB-CE2 4.37Å; R89-Y95 PolarHBondContact N-OH 2.74Å; R89-Y95 WeakPolarHBondContact O-CD2 3.45Å; R89-Y95 WeakPolarHBondContact O-CE2 3.29Å
90	P	82.8	Confident	90.3	Very high	75 Å²	75	54.2 Å²	54.2	49%	0.487	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-29.3	-169.6	-28.9	33.6	0	0	0	115.7	F88	F88-P90 HydrophobicContact CD1-CG 4.03Å; F88-P90 HydrophobicContact CE1-CB 4.15Å; F88-P90 HydrophobicContact CE1-CG 3.84Å; F88-P90 WeakPolarHBondContact O-CD 3.44Å
91	N	83.4	Confident	90.4	Very high	141 Å²	141	54.4 Å²	54.4	75%	0.754	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	22.2	-176.5	-64.4	-40.3	0	0	0	114.1	R89 T93	R89-N91 PolarHBondContact O-N 3.47Å; N91-T93 PolarHBondContact O-N 3.04Å
92	A	87.6	Confident	90.5	Very high	10 Å²	10	53.9 Å²	53.9	8%	0.083	30%	0.296	C	S	.	.			trans	-60.4	125.2	174.2	0	0	0	0	0	110.5	R89 E94 Y95	R89-A92 HydrophobicContact CB-CB 3.84Å; R89-A92 WeakPolarHBondContact O-CB 3.49Å; R89-A92 PolarHBondContact O-N 2.77Å; A92-E94 WeakPolarHBondContact CA-OE2 3.47Å; A92-E94 VanDerWaalsContact CB-OE2 3.27Å; A92-E94 WeakPolarHBondContact CB-OE2 3.45Å; A92-E94 PolarHBondContact O-N 3.23Å; A92-Y95 HydrophobicContact CB-CD1 4.03Å; A92-Y95 HydrophobicContact CB-CD2 3.77Å; A92-Y95 HydrophobicContact CB-CE1 4.03Å; A92-Y95 HydrophobicContact CB-CE2 3.79Å; A92-Y95 HydrophobicContact CB-CG 3.89Å; A92-Y95 PolarHBondContact O-N 2.8Å; A92-Y95 VanDerWaalsContact O-N 3.17Å
93	T	88.3	Confident	90.7	Very high	107 Å²	107	53.8 Å²	53.8	66%	0.656	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-64.4	-28.5	179.4	50.4	0	0	0	0	111.2	N91 Y95 R96	N91-T93 PolarHBondContact O-N 3.04Å; T93-Y95 PolarHBondContact O-N 2.79Å; T93-R96 WeakPolarHBondContact O-CB 3.41Å; T93-R96 PolarHBondContact O-N 3.25Å; T93-R96 VanDerWaalsContact O-N 3.11Å
94	E	90.4	Very high	91	Very high	67 Å²	67	53.6 Å²	53.6	31%	0.313	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-59	-34.7	176.1	-52.5	95.5	127.1	0	0	111.8	V49 R89 A92 R96 A97	V49-E94 HydrophobicContact CB-CB 3.98Å; V49-E94 HydrophobicContact CB-CG 4.35Å; V49-E94 HydrophobicContact CG1-CB 4.08Å; V49-E94 HydrophobicContact CG2-CB 4.37Å; R89-E94 IonicContact CZ-OE1 2.74Å; R89-E94 VanDerWaalsContact CZ-OE1 3.32Å; R89-E94 IonicContact NH1-OE1 2.69Å; R89-E94 PolarHBondContact NH1-OE1 3.41Å; R89-E94 IonicContact NH1-OE2 3.32Å; R89-E94 IonicContact NH2-OE1 2.93Å; R89-E94 PolarHBondContact NH2-OE1 3.42Å; R89-E94 IonicContact NH2-OE2 3.7Å; A92-E94 WeakPolarHBondContact CA-OE2 3.47Å; A92-E94 VanDerWaalsContact CB-OE2 3.27Å; A92-E94 WeakPolarHBondContact CB-OE2 3.45Å; A92-E94 PolarHBondContact O-N 3.23Å; E94-R96 PolarHBondContact O-N 2.94Å; E94-A97 WeakPolarHBondContact O-CB 3.24Å; E94-A97 PolarHBondContact O-N 2.64Å
95	Y	91.3	Very high	91.2	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.02	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-70.1	-18.5	179.8	-60.5	-12.5	0	0	0	113	V49 L78 V80 F88 R89 A92 T93 A97 F98 L101	V49-Y95 HydrophobicContact CG1-CD1 4.43Å; V49-Y95 HydrophobicContact CG1-CE1 4.34Å; V49-Y95 HydrophobicContact CG2-CE1 4.08Å; L78-Y95 HydrophobicContact CD2-CD1 3.44Å; L78-Y95 VanDerWaalsContact CD2-CD1 3.44Å; L78-Y95 HydrophobicContact CD2-CE1 3.67Å; L78-Y95 HydrophobicContact CD2-CG 4.4Å; V80-Y95 HydrophobicContact CG2-CE1 4.37Å; F88-Y95 AromaticContact CD2-CE2 3.94Å; F88-Y95 HydrophobicContact CD2-CE2 3.94Å; F88-Y95 HydrophobicContact CE2-CD2 4.25Å; F88-Y95 AromaticContact CE2-CE2 3.64Å; F88-Y95 HydrophobicContact CE2-CE2 3.64Å; F88-Y95 HydrophobicContact CZ-CE2 4.34Å; R89-Y95 HydrophobicContact CB-CE2 4.37Å; R89-Y95 PolarHBondContact N-OH 2.74Å; R89-Y95 WeakPolarHBondContact O-CD2 3.45Å; R89-Y95 WeakPolarHBondContact O-CE2 3.29Å; A92-Y95 HydrophobicContact CB-CD1 4.03Å; A92-Y95 HydrophobicContact CB-CD2 3.77Å; A92-Y95 HydrophobicContact CB-CE1 4.03Å; A92-Y95 HydrophobicContact CB-CE2 3.79Å; A92-Y95 HydrophobicContact CB-CG 3.89Å; A92-Y95 PolarHBondContact O-N 2.8Å; A92-Y95 VanDerWaalsContact O-N 3.17Å; T93-Y95 PolarHBondContact O-N 2.79Å; Y95-A97 VanDerWaalsContact C-N 3.28Å; Y95-A97 PolarHBondContact O-N 3.1Å; Y95-F98 PolarHBondContact O-N 3.47Å; Y95-L101 HydrophobicContact CD1-CD1 4.43Å; Y95-L101 HydrophobicContact CD2-CD1 4.33Å; Y95-L101 HydrophobicContact CD2-CD2 3.93Å; Y95-L101 HydrophobicContact CG-CD1 4.17Å; Y95-L101 HydrophobicContact CG-CD2 4.3Å
96	R	89.3	Confident	91.3	Very high	186 Å²	186	48.5 Å²	48.5	70%	0.702	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-73.8	-20.5	177.4	-60	-174.5	178	-162.8	-2.1	112.7	T93 E94 F98	T93-R96 WeakPolarHBondContact O-CB 3.41Å; T93-R96 PolarHBondContact O-N 3.25Å; T93-R96 VanDerWaalsContact O-N 3.11Å; E94-R96 PolarHBondContact O-N 2.94Å; R96-F98 PolarHBondContact O-N 3.35Å
97	A	91.3	Very high	91.5	Very high	54 Å²	54	47.5 Å²	47.5	45%	0.446	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-69.8	-22.1	176.4	0	0	0	0	0	112.6	P52 E94 Y95	P52-A97 HydrophobicContact CG-CB 3.82Å; E94-A97 WeakPolarHBondContact O-CB 3.24Å; E94-A97 PolarHBondContact O-N 2.64Å; Y95-A97 VanDerWaalsContact C-N 3.28Å; Y95-A97 PolarHBondContact O-N 3.1Å
98	F	94.3	Very high	91.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.			trans	-95.2	142	-178.6	-65.2	-85.4	0	0	0	112	Y37 V49 P50 P52 N76 L78 Y95 R96 K234	Y37-F98 HydrophobicContact CD2-CD1 4.37Å; Y37-F98 AromaticContact CD2-CE1 3.64Å; Y37-F98 HydrophobicContact CD2-CE1 3.64Å; Y37-F98 HydrophobicContact CE2-CE1 4.23Å; Y37-F98 AromaticContact CG-CE1 3.94Å; Y37-F98 HydrophobicContact CG-CE1 3.94Å; V49-F98 HydrophobicContact CG1-CE2 4.17Å; P50-F98 HydrophobicContact CG-CZ 4.43Å; P50-F98 VanDerWaalsContact O-CE2 3.31Å; P50-F98 WeakPolarHBondContact O-CE2 3.29Å; P50-F98 WeakPolarHBondContact O-CZ 3.41Å; P52-F98 HydrophobicContact CB-CD1 4.16Å; P52-F98 HydrophobicContact CB-CE1 3.82Å; P52-F98 HydrophobicContact CB-CZ 4.35Å; P52-F98 HydrophobicContact CG-CD1 4.29Å; P52-F98 HydrophobicContact CG-CE1 4.11Å; P52-F98 HydrophobicContact CG-CZ 4.29Å; N76-F98 HydrophobicContact CB-CD1 4.11Å; L78-F98 HydrophobicContact CB-CB 4.13Å; L78-F98 HydrophobicContact CB-CD1 3.77Å; L78-F98 HydrophobicContact CB-CD2 3.72Å; L78-F98 HydrophobicContact CB-CE1 4.03Å; L78-F98 HydrophobicContact CB-CE2 3.97Å; L78-F98 HydrophobicContact CB-CG 3.59Å; L78-F98 HydrophobicContact CB-CZ 4.1Å; L78-F98 HydrophobicContact CD1-CE1 4.47Å; L78-F98 HydrophobicContact CD1-CE2 4.11Å; L78-F98 HydrophobicContact CD1-CZ 3.98Å; L78-F98 HydrophobicContact CD2-CD2 3.97Å; L78-F98 HydrophobicContact CD2-CE2 3.93Å; L78-F98 HydrophobicContact CG-CD2 4.34Å; L78-F98 HydrophobicContact CG-CE2 4.24Å; L78-F98 HydrophobicContact CG-CZ 4.46Å; Y95-F98 PolarHBondContact O-N 3.47Å; R96-F98 PolarHBondContact O-N 3.35Å; F98-K234 WeakPolarHBondContact O-CE 3.3Å; F98-K234 PolarHBondContact O-NZ 3.23Å
99	D	94.9	Very high	91.7	Very high	47 Å²	47	57.9 Å²	57.9	25%	0.251	29%	0.294	S	S	.	.	S	Bend	trans	-68.4	-44.5	173.6	-59.5	-49.4	0	0	0	111.8	L75 N76 A230 R233 K234	L75-D99 HydrophobicContact CB-CB 4.18Å; L75-D99 HydrophobicContact CD2-CB 4.23Å; N76-D99 PolarHBondContact N-OD2 2.83Å; N76-D99 WeakPolarHBondContact O-CA 3.25Å; N76-D99 WeakPolarHBondContact O-CB 3.36Å; N76-D99 PolarHBondContact O-N 3.18Å; D99-A230 VanDerWaalsContact O-CB 3.27Å; D99-A230 WeakPolarHBondContact O-CB 3.19Å; D99-R233 PolarHBondContact O-NH2 3.22Å; D99-K234 VanDerWaalsContact CA-NZ 3.33Å; D99-K234 IonicContact OD1-NZ 2.64Å; D99-K234 PolarHBondContact OD1-NZ 3.35Å
100	L	96.4	Very high	92	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.9	-179.1	-62.5	177	0	0	0	111	L7 A34 N76 R77 L78 I122 V226 L227 A230	L7-L100 HydrophobicContact CB-CD1 4.32Å; L7-L100 HydrophobicContact CD1-CD1 4.32Å; L7-L100 HydrophobicContact CD2-CD1 4.08Å; L7-L100 HydrophobicContact CG-CD1 4.47Å; A34-L100 HydrophobicContact CB-CD1 3.95Å; N76-L100 PolarHBondContact O-N 2.81Å; N76-L100 VanDerWaalsContact O-N 3.13Å; R77-L100 CarbonylContact C-O 3.59Å; R77-L100 WeakPolarHBondContact CA-O 3.37Å; R77-L100 HydrophobicContact CB-CB 3.9Å; R77-L100 HydrophobicContact CG-CB 3.86Å; L78-L100 PolarHBondContact N-O 3.24Å; L100-I122 HydrophobicContact CD1-CD1 4.47Å; L100-V226 HydrophobicContact CD2-CG1 3.94Å; L100-L227 HydrophobicContact CD1-CD2 4.06Å; L100-L227 HydrophobicContact CD2-CD2 3.93Å; L100-L227 HydrophobicContact CG-CD2 4.36Å; L100-A230 HydrophobicContact CD2-CB 3.5Å
101	L	96.4	Very high	92.5	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123	175.4	-174.7	62.6	0	0	0	110.1	L78 F88 Y95 V120 D121 I122	L78-L101 HydrophobicContact CB-CD1 4.18Å; L78-L101 HydrophobicContact CD2-CD1 3.91Å; L78-L101 HydrophobicContact CG-CD1 4.27Å; F88-L101 HydrophobicContact CE2-CD2 4Å; F88-L101 HydrophobicContact CE2-CG 4.5Å; F88-L101 HydrophobicContact CZ-CD2 4.22Å; Y95-L101 HydrophobicContact CD1-CD1 4.43Å; Y95-L101 HydrophobicContact CD2-CD1 4.33Å; Y95-L101 HydrophobicContact CD2-CD2 3.93Å; Y95-L101 HydrophobicContact CG-CD1 4.17Å; Y95-L101 HydrophobicContact CG-CD2 4.3Å; L101-V120 HydrophobicContact CD2-CG1 3.99Å; L101-V120 HydrophobicContact CG-CG1 4.02Å; L101-D121 PolarHBondContact N-OD2 2.75Å; L101-D121 WeakPolarHBondContact O-CB 3.3Å; L101-D121 PolarHBondContact O-N 3.32Å; L101-I122 PolarHBondContact O-N 2.51Å
102	A	97.1	Very high	93.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.4	179.3	0	0	0	0	0	111.4	R77 L78 T79 V80 I122	R77-A102 VanDerWaalsContact NH2-CB 3.35Å; L78-A102 PolarHBondContact O-N 2.98Å; T79-A102 CarbonylContact C-O 3.56Å; T79-A102 WeakPolarHBondContact CA-O 3.36Å; T79-A102 HydrophobicContact CG2-CB 4.29Å; V80-A102 PolarHBondContact N-O 3.37Å; A102-I122 CarbonylContact C-O 3.52Å; A102-I122 WeakPolarHBondContact CA-O 3.41Å; A102-I122 HydrophobicContact CB-CB 3.82Å; A102-I122 HydrophobicContact CB-CG2 4.29Å
103	I	96.5	Very high	93.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.5	170.5	-71.6	165.8	0	0	0	109.4	V80 M82 F88 P105 T114 C118 V120 I122 C124	V80-I103 WeakPolarHBondContact O-CA 3.4Å; M82-I103 HydrophobicContact CB-CG2 3.77Å; M82-I103 HydrophobicContact CE-CG2 4.33Å; M82-I103 HydrophobicContact SD-CG2 4.22Å; F88-I103 HydrophobicContact CB-CD1 4.37Å; F88-I103 HydrophobicContact CD1-CD1 4.01Å; F88-I103 HydrophobicContact CD2-CD1 3.48Å; F88-I103 VanDerWaalsContact CD2-CD1 3.48Å; F88-I103 HydrophobicContact CD2-CG1 3.86Å; F88-I103 HydrophobicContact CE1-CD1 4.13Å; F88-I103 HydrophobicContact CE2-CD1 3.63Å; F88-I103 HydrophobicContact CE2-CG1 4.07Å; F88-I103 HydrophobicContact CG-CD1 3.67Å; F88-I103 HydrophobicContact CG-CG1 4.43Å; F88-I103 HydrophobicContact CZ-CD1 3.95Å; I103-P105 WeakPolarHBondContact O-CD 3.47Å; I103-T114 HydrophobicContact CB-CG2 4.04Å; I103-T114 HydrophobicContact CD1-CG2 3.96Å; I103-T114 HydrophobicContact CG2-CG2 4.03Å; I103-C118 HydrophobicContact CD1-CB 3.83Å; I103-V120 HydrophobicContact CD1-CB 4.33Å; I103-V120 HydrophobicContact CD1-CG1 3.34Å; I103-V120 HydrophobicContact CD1-CG2 4.17Å; I103-V120 HydrophobicContact CG1-CG1 3.79Å; I103-I122 PolarHBondContact N-O 3.17Å; I103-C124 PolarHBondContact O-N 2.9Å
104	Q	95.2	Very high	93.8	Very high	49 Å²	49	44.6 Å²	44.6	23%	0.229	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	96.7	168	-176.4	176.3	-18	0	0	109.3	T79 V80 V81 M82 C124	T79-Q104 HydrophobicContact CG2-CB 4.18Å; V80-Q104 PolarHBondContact O-N 2.71Å; V81-Q104 HydrophobicContact CG2-CB 4.49Å; M82-Q104 PolarHBondContact N-O 3.24Å; Q104-C124 HydrophobicContact CB-CB 3.93Å; Q104-C124 HydrophobicContact CG-CB 4.22Å
105	P	94.1	Very high	94	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	137.7	177.3	30.6	-31.4	0	0	0	111	M82 I103 L110 F111 I123 C124	M82-P105 HydrophobicContact CE-CB 4.5Å; I103-P105 WeakPolarHBondContact O-CD 3.47Å; P105-L110 HydrophobicContact CB-CB 4.12Å; P105-F111 HydrophobicContact CB-CB 4.17Å; P105-F111 HydrophobicContact CG-CB 4.05Å; P105-F111 HydrophobicContact CG-CD2 3.8Å; P105-F111 HydrophobicContact CG-CG 4.43Å; P105-I123 HydrophobicContact CG-CG2 4.19Å; P105-C124 WeakPolarHBondContact CD-O 3.07Å
106	T	91	Very high	94.1	Very high	51 Å²	51	45.1 Å²	45.1	31%	0.313	22%	0.223	S	C	.	.			trans	-98.7	-14.8	-178.8	60.8	0	0	0	0	114.2	V81 M82 S83	V81-T106 HydrophobicContact CG1-CG2 3.99Å; M82-T106 PolarHBondContact O-N 3.13Å; M82-T106 VanDerWaalsContact O-N 3.13Å; M82-T106 PolarHBondContact O-OG1 3.27Å; S83-T106 WeakPolarHBondContact CA-OG1 3.47Å
107	T	91.5	Very high	94.3	Very high	57 Å²	57	42.2 Å²	42.2	35%	0.35	22%	0.221	S	C	.	.	S	Bend	trans	-130.3	159.4	-179	71.3	0	0	0	0	112.3	K109 L110 F111	T107-K109 VanDerWaalsContact C-N 3.33Å; T107-K109 PolarHBondContact O-N 2.97Å; T107-L110 HydrophobicContact CG2-CD1 4.34Å; T107-L110 PolarHBondContact O-N 3.39Å; T107-L110 WeakPolarHBondContact OG1-CB 3.14Å; T107-L110 WeakPolarHBondContact OG1-CD1 3.31Å; T107-L110 WeakPolarHBondContact OG1-CG 3.35Å; T107-L110 PolarHBondContact OG1-N 3.04Å; T107-F111 PolarHBondContact O-N 3.22Å
108	E	92.1	Very high	94.3	Very high	75 Å²	75	40 Å²	40	35%	0.35	20%	0.202	S	C	.	.	H	α-helix	trans	-59.1	-42.3	179.4	-166.2	-174.2	155.8	0	0	112.6	L110 F111 H112 F133 K136	E108-L110 VanDerWaalsContact C-N 3.31Å; E108-L110 PolarHBondContact O-N 2.96Å; E108-F111 PolarHBondContact O-N 3.17Å; E108-H112 WeakPolarHBondContact O-CB 3.45Å; E108-H112 PolarHBondContact O-N 3.32Å; E108-F133 HydrophobicContact CB-CB 3.56Å; E108-F133 HydrophobicContact CB-CD1 4.02Å; E108-F133 HydrophobicContact CB-CD2 4.12Å; E108-F133 HydrophobicContact CB-CG 3.64Å; E108-F133 HydrophobicContact CG-CB 3.75Å; E108-F133 HydrophobicContact CG-CD2 3.99Å; E108-F133 HydrophobicContact CG-CG 3.94Å; E108-K136 VanDerWaalsContact OE1-CE 3.3Å; E108-K136 WeakPolarHBondContact OE1-CE 3.37Å; E108-K136 IonicContact OE1-NZ 2.8Å; E108-K136 PolarHBondContact OE1-NZ 3.42Å
109	K	93.3	Very high	94.1	Very high	178 Å²	178	44.9 Å²	44.9	77%	0.774	23%	0.228	S	C	*	.	H	α-helix	trans	-62.1	-43.1	179.6	-67.4	-177.3	-179.5	178.4	0	110.7	T107 H112 T113	T107-K109 VanDerWaalsContact C-N 3.33Å; T107-K109 PolarHBondContact O-N 2.97Å; K109-H112 PolarHBondContact O-N 3.08Å; K109-T113 PolarHBondContact O-N 3Å; K109-T113 PolarHBondContact O-OG1 3.44Å; K109-T113 VanDerWaalsContact O-OG1 3.11Å
110	L	93.9	Very high	94.1	Very high	14 Å²	14	42.6 Å²	42.6	7%	0.073	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-42.4	178	-67.9	174.5	0	0	0	111	M82 S83 A85 P105 T107 E108 H112 T113 T114	M82-L110 HydrophobicContact CE-CB 3.58Å; M82-L110 HydrophobicContact CE-CD2 3.84Å; M82-L110 HydrophobicContact CE-CG 4.2Å; M82-L110 WeakPolarHBondContact CE-O 3.46Å; M82-L110 HydrophobicContact CG-CD1 4.44Å; M82-L110 HydrophobicContact CG-CD2 4.32Å; M82-L110 WeakPolarHBondContact O-CD1 3.22Å; S83-L110 VanDerWaalsContact O-CD1 3.26Å; S83-L110 WeakPolarHBondContact O-CD1 3.27Å; A85-L110 HydrophobicContact CB-CD2 4.09Å; P105-L110 HydrophobicContact CB-CB 4.12Å; T107-L110 HydrophobicContact CG2-CD1 4.34Å; T107-L110 PolarHBondContact O-N 3.39Å; T107-L110 WeakPolarHBondContact OG1-CB 3.14Å; T107-L110 WeakPolarHBondContact OG1-CD1 3.31Å; T107-L110 WeakPolarHBondContact OG1-CG 3.35Å; T107-L110 PolarHBondContact OG1-N 3.04Å; E108-L110 VanDerWaalsContact C-N 3.31Å; E108-L110 PolarHBondContact O-N 2.96Å; L110-H112 VanDerWaalsContact C-N 3.34Å; L110-H112 PolarHBondContact O-N 3.21Å; L110-T113 PolarHBondContact O-N 3.17Å; L110-T114 PolarHBondContact O-N 3.34Å; L110-T114 PolarHBondContact O-OG1 3.04Å
111	F	94.8	Very high	94.1	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.022	22%	0.216	C	C	.	.	H	α-helix	trans	-57.3	-46.7	174.1	178	-97.4	0	0	0	111.8	P105 T107 E108 T114 C115 I123 I125 F133 F135 I140 F150	P105-F111 HydrophobicContact CB-CB 4.17Å; P105-F111 HydrophobicContact CG-CB 4.05Å; P105-F111 HydrophobicContact CG-CD2 3.8Å; P105-F111 HydrophobicContact CG-CG 4.43Å; T107-F111 PolarHBondContact O-N 3.22Å; E108-F111 PolarHBondContact O-N 3.17Å; F111-T114 PolarHBondContact O-N 3.35Å; F111-C115 WeakPolarHBondContact CZ-SG 3.42Å; F111-C115 WeakPolarHBondContact O-CB 3.47Å; F111-C115 PolarHBondContact O-N 3.26Å; F111-C115 PolarHBondContact O-SG 2.92Å; F111-I123 HydrophobicContact CD2-CG2 4.27Å; F111-I123 HydrophobicContact CE2-CG2 4.05Å; F111-I125 HydrophobicContact CD2-CD1 4.5Å; F111-I125 HydrophobicContact CE2-CD1 3.82Å; F111-F133 HydrophobicContact CB-CE2 4.08Å; F111-F133 HydrophobicContact CB-CZ 3.97Å; F111-F133 HydrophobicContact CD1-CE2 4.16Å; F111-F133 HydrophobicContact CD2-CE2 4.49Å; F111-F133 AromaticContact CG-CE2 3.98Å; F111-F133 HydrophobicContact CG-CE2 3.98Å; F111-F133 HydrophobicContact CG-CZ 4.19Å; F111-F135 HydrophobicContact CD2-CE1 4.4Å; F111-F135 AromaticContact CE1-CD1 3.81Å; F111-F135 HydrophobicContact CE1-CD1 3.81Å; F111-F135 HydrophobicContact CE1-CE1 4.31Å; F111-F135 HydrophobicContact CE2-CD1 4.13Å; F111-F135 AromaticContact CE2-CE1 3.85Å; F111-F135 HydrophobicContact CE2-CE1 3.85Å; F111-F135 AromaticContact CZ-CD1 3.58Å; F111-F135 HydrophobicContact CZ-CD1 3.58Å; F111-F135 AromaticContact CZ-CE1 3.81Å; F111-F135 HydrophobicContact CZ-CE1 3.81Å; F111-I140 HydrophobicContact CE1-CG1 4.3Å; F111-I140 HydrophobicContact CZ-CD1 4.49Å; F111-I140 HydrophobicContact CZ-CG1 4.06Å; F111-F150 HydrophobicContact CE2-CD1 4.36Å; F111-F150 AromaticContact CE2-CE1 3.86Å; F111-F150 HydrophobicContact CE2-CE1 3.86Å; F111-F150 AromaticContact CZ-CE1 3.78Å; F111-F150 HydrophobicContact CZ-CE1 3.78Å; F111-F150 HydrophobicContact CZ-CZ 4.49Å
112	H	94.9	Very high	94.2	Very high	93 Å²	93	42.4 Å²	42.4	43%	0.431	22%	0.215	S	C	.	.	H	α-helix	trans	-58.6	-49.5	175.2	180	-74.4	0	0	0	111.6	E108 K109 L110 T114 C115 M116 P139	E108-H112 WeakPolarHBondContact O-CB 3.45Å; E108-H112 PolarHBondContact O-N 3.32Å; K109-H112 PolarHBondContact O-N 3.08Å; L110-H112 VanDerWaalsContact C-N 3.34Å; L110-H112 PolarHBondContact O-N 3.21Å; H112-T114 VanDerWaalsContact C-N 3.34Å; H112-T114 PolarHBondContact O-N 3.36Å; H112-C115 PolarHBondContact O-N 3.47Å; H112-M116 WeakPolarHBondContact O-CG 3.12Å; H112-M116 PolarHBondContact O-N 3.27Å; H112-M116 VanDerWaalsContact O-N 3.08Å; H112-P139 VanDerWaalsContact CD2-CG 3.4Å; H112-P139 WeakPolarHBondContact CD2-CG 3.48Å
113	T	94.8	Very high	94.2	Very high	46 Å²	46	42.4 Å²	42.4	28%	0.282	22%	0.215	S	C	.	.	H	α-helix	trans	-58.7	-43.9	177.3	-64.7	0	0	0	0	111.7	K109 L110 C115 M116 L117	K109-T113 PolarHBondContact O-N 3Å; K109-T113 PolarHBondContact O-OG1 3.44Å; K109-T113 VanDerWaalsContact O-OG1 3.11Å; L110-T113 PolarHBondContact O-N 3.17Å; T113-C115 VanDerWaalsContact C-N 3.35Å; T113-C115 PolarHBondContact O-N 3.19Å; T113-M116 PolarHBondContact O-N 3.12Å; T113-L117 HydrophobicContact CG2-CB 4.47Å; T113-L117 HydrophobicContact CG2-CD1 4.31Å; T113-L117 WeakPolarHBondContact O-CB 3.34Å; T113-L117 PolarHBondContact O-N 3.32Å
114	T	95.3	Very high	94.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-46.1	176.5	-53.4	0	0	0	0	111.6	M82 I103 L110 F111 H112 M116 C118 V120 I123 R146	M82-T114 WeakPolarHBondContact CE-OG1 2.89Å; I103-T114 HydrophobicContact CB-CG2 4.04Å; I103-T114 HydrophobicContact CD1-CG2 3.96Å; I103-T114 HydrophobicContact CG2-CG2 4.03Å; L110-T114 PolarHBondContact O-N 3.34Å; L110-T114 PolarHBondContact O-OG1 3.04Å; F111-T114 PolarHBondContact O-N 3.35Å; H112-T114 VanDerWaalsContact C-N 3.34Å; H112-T114 PolarHBondContact O-N 3.36Å; T114-M116 PolarHBondContact O-N 2.93Å; T114-C118 HydrophobicContact CG2-CB 4.07Å; T114-C118 PolarHBondContact O-N 2.86Å; T114-V120 HydrophobicContact CG2-CG2 4.18Å; T114-I123 HydrophobicContact CG2-CD1 3.71Å; T114-I123 HydrophobicContact CG2-CG1 3.69Å; T114-I123 HydrophobicContact CG2-CG2 4.45Å; T114-R146 PolarHBondContact O-NH2 3.11Å
115	C	95.3	Very high	94	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-25.2	-179	-70.4	0	0	0	0	113.9	F111 H112 T113 P139 G142 A143 R146	F111-C115 WeakPolarHBondContact CZ-SG 3.42Å; F111-C115 WeakPolarHBondContact O-CB 3.47Å; F111-C115 PolarHBondContact O-N 3.26Å; F111-C115 PolarHBondContact O-SG 2.92Å; H112-C115 PolarHBondContact O-N 3.47Å; T113-C115 VanDerWaalsContact C-N 3.35Å; T113-C115 PolarHBondContact O-N 3.19Å; C115-P139 HydrophobicContact CB-CB 3.73Å; C115-P139 WeakPolarHBondContact CB-O 3.38Å; C115-G142 CarbonylContact O-C 3.59Å; C115-A143 HydrophobicContact CB-CB 4.13Å; C115-A143 PolarHBondContact O-N 2.79Å; C115-R146 PolarHBondContact O-NE 3.41Å; C115-R146 PolarHBondContact O-NH2 3.49Å
116	M	94.3	Very high	93.4	Very high	83 Å²	83	41.8 Å²	41.8	41%	0.409	22%	0.215	S	C	.	.	H	α-helix	trans	-105.3	-35.2	-175.6	-63.7	-56.9	-63.8	0	0	113.9	H112 T113 T114	H112-M116 WeakPolarHBondContact O-CG 3.12Å; H112-M116 PolarHBondContact O-N 3.27Å; H112-M116 VanDerWaalsContact O-N 3.08Å; T113-M116 PolarHBondContact O-N 3.12Å; T114-M116 PolarHBondContact O-N 2.93Å
117	L	92.1	Very high	92.8	Very high	126 Å²	126	39.5 Å²	39.5	66%	0.66	20%	0.201	S	C	*	.	H	α-helix	trans	-126.1	-21.8	-162.8	-58.7	179.4	0	0	0	114.7	T113	T113-L117 HydrophobicContact CG2-CB 4.47Å; T113-L117 HydrophobicContact CG2-CD1 4.31Å; T113-L117 WeakPolarHBondContact O-CB 3.34Å; T113-L117 PolarHBondContact O-N 3.32Å
118	C	91.9	Very high	92	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.054	20%	0.201	C	C	.	.			trans	-85.1	129.2	-177.1	-64.5	0	0	0	0	111.1	F88 I103 T114 V120 R146	F88-C118 HydrophobicContact CD1-CB 4.21Å; F88-C118 HydrophobicContact CE1-CB 3.88Å; I103-C118 HydrophobicContact CD1-CB 3.83Å; T114-C118 HydrophobicContact CG2-CB 4.07Å; T114-C118 PolarHBondContact O-N 2.86Å; C118-V120 HydrophobicContact CB-CG1 4.38Å; C118-V120 HydrophobicContact CB-CG2 4.41Å; C118-V120 PolarHBondContact O-N 2.93Å; C118-R146 PolarHBondContact O-NH1 3.49Å
119	D	90.9	Very high	91.6	Very high	101 Å²	101	42.5 Å²	42.5	54%	0.54	22%	0.215	S	C	.	.			trans	-84.9	85.9	173.9	-63.1	-32.7	0	0	0	109.9
120	V	94.9	Very high	91	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.			trans	-134.6	161.1	-179.2	-64.9	0	0	0	0	111.5	F88 L101 I103 T114 C118 I123 V148 H229	F88-V120 HydrophobicContact CE1-CG1 4.36Å; F88-V120 HydrophobicContact CE2-CG1 3.72Å; F88-V120 HydrophobicContact CZ-CG1 3.5Å; L101-V120 HydrophobicContact CD2-CG1 3.99Å; L101-V120 HydrophobicContact CG-CG1 4.02Å; I103-V120 HydrophobicContact CD1-CB 4.33Å; I103-V120 HydrophobicContact CD1-CG1 3.34Å; I103-V120 HydrophobicContact CD1-CG2 4.17Å; I103-V120 HydrophobicContact CG1-CG1 3.79Å; T114-V120 HydrophobicContact CG2-CG2 4.18Å; C118-V120 HydrophobicContact CB-CG1 4.38Å; C118-V120 HydrophobicContact CB-CG2 4.41Å; C118-V120 PolarHBondContact O-N 2.93Å; V120-I123 HydrophobicContact CG2-CG1 4.29Å; V120-V148 HydrophobicContact CG2-CG1 4.31Å; V120-V148 WeakPolarHBondContact O-CG2 3.39Å; V120-H229 PolarHBondContact O-CE1 3.43Å
121	D	96.3	Very high	90.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-87.6	-37.9	-178.2	-50.1	-50.3	0	0	0	110.8	L101 V149 V226 H229 A230 R233	L101-D121 PolarHBondContact N-OD2 2.75Å; L101-D121 WeakPolarHBondContact O-CB 3.3Å; L101-D121 PolarHBondContact O-N 3.32Å; D121-V149 PolarHBondContact O-N 3.31Å; D121-V226 HydrophobicContact CB-CG1 4.24Å; D121-H229 IonicContact OD1-CE1 3.32Å; D121-H229 IonicContact OD1-ND1 2.85Å; D121-H229 PolarHBondContact OD1-ND1 3.44Å; D121-A230 HydrophobicContact CB-CB 4.4Å; D121-A230 VanDerWaalsContact OD1-CA 3.31Å; D121-A230 WeakPolarHBondContact OD1-CA 3.42Å; D121-A230 WeakPolarHBondContact OD2-CB 3.45Å; D121-R233 IonicContact OD1-NE 3.34Å; D121-R233 PolarHBondContact OD1-NE 3Å; D121-R233 IonicContact OD2-CZ 3.03Å; D121-R233 IonicContact OD2-NE 3.69Å; D121-R233 PolarHBondContact OD2-NE 3.13Å; D121-R233 IonicContact OD2-NH2 3.42Å; D121-R233 PolarHBondContact OD2-NH2 3.37Å
122	I	98	Very high	89.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.6	-171.8	-53.9	169.4	0	0	0	111	L100 L101 A102 I103 V149 E151 I184 V226	L100-I122 HydrophobicContact CD1-CD1 4.47Å; L101-I122 PolarHBondContact O-N 2.51Å; A102-I122 CarbonylContact C-O 3.52Å; A102-I122 WeakPolarHBondContact CA-O 3.41Å; A102-I122 HydrophobicContact CB-CB 3.82Å; A102-I122 HydrophobicContact CB-CG2 4.29Å; I103-I122 PolarHBondContact N-O 3.17Å; I122-V149 CarbonylContact C-O 3.5Å; I122-V149 WeakPolarHBondContact CA-O 3.39Å; I122-E151 HydrophobicContact CG2-CB 3.53Å; I122-E151 HydrophobicContact CG2-CG 4.47Å; I122-E151 VanDerWaalsContact CG2-OE2 3.31Å; I122-E151 WeakPolarHBondContact CG2-OE2 3.33Å; I122-I184 HydrophobicContact CD1-CD1 4.02Å; I122-I184 HydrophobicContact CG1-CD1 4.32Å; I122-I184 HydrophobicContact CG2-CD1 4.21Å; I122-V226 HydrophobicContact CD1-CG1 3.85Å; I122-V226 HydrophobicContact CG1-CG1 3.68Å
123	I	97.4	Very high	89.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.6	167.9	-58.9	175.8	0	0	0	108.3	P105 F111 T114 V120 I125 A143 V148 V149 F150 E151	P105-I123 HydrophobicContact CG-CG2 4.19Å; F111-I123 HydrophobicContact CD2-CG2 4.27Å; F111-I123 HydrophobicContact CE2-CG2 4.05Å; T114-I123 HydrophobicContact CG2-CD1 3.71Å; T114-I123 HydrophobicContact CG2-CG1 3.69Å; T114-I123 HydrophobicContact CG2-CG2 4.45Å; V120-I123 HydrophobicContact CG2-CG1 4.29Å; I123-I125 HydrophobicContact CG2-CD1 4.45Å; I123-A143 HydrophobicContact CD1-CB 4.28Å; I123-V148 HydrophobicContact CD1-CG1 3.76Å; I123-V148 HydrophobicContact CG1-CG1 3.66Å; I123-V149 PolarHBondContact N-O 2.99Å; I123-F150 HydrophobicContact CB-CD1 3.94Å; I123-F150 HydrophobicContact CB-CE1 4.15Å; I123-F150 HydrophobicContact CD1-CE1 3.92Å; I123-F150 HydrophobicContact CD1-CZ 4.48Å; I123-F150 HydrophobicContact CG2-CD1 4.15Å; I123-F150 HydrophobicContact CG2-CE1 4.24Å; I123-F150 WeakPolarHBondContact O-CA 3.46Å; I123-E151 PolarHBondContact O-N 3.12Å
124	C	95.5	Very high	88.9	Confident	9 Å²	9	49.1 Å²	49.1	6%	0.061	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.5	177.9	-51.2	0	0	0	0	110.1	R77 I103 Q104 P105 E151	R77-C124 PolarHBondContact NH2-SG 2.58Å; I103-C124 PolarHBondContact O-N 2.9Å; Q104-C124 HydrophobicContact CB-CB 3.93Å; Q104-C124 HydrophobicContact CG-CB 4.22Å; P105-C124 WeakPolarHBondContact CD-O 3.07Å; C124-E151 PolarHBondContact SG-OE2 3.1Å; C124-E151 VanDerWaalsContact SG-OE2 3.36Å
125	I	91.3	Very high	88.7	Confident	9 Å²	9	49.5 Å²	49.5	5%	0.046	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-85.8	128.2	170.1	-56.4	-47.7	0	0	0	109.4	F111 I123 V127 L131 F135 F150 E151 L174	F111-I125 HydrophobicContact CD2-CD1 4.5Å; F111-I125 HydrophobicContact CE2-CD1 3.82Å; I123-I125 HydrophobicContact CG2-CD1 4.45Å; I125-V127 HydrophobicContact CG2-CG1 4.45Å; I125-V127 PolarHBondContact O-N 2.81Å; I125-L131 HydrophobicContact CG2-CD1 3.95Å; I125-F135 HydrophobicContact CD1-CE1 3.83Å; I125-F135 HydrophobicContact CD1-CZ 3.97Å; I125-F135 HydrophobicContact CG1-CZ 4.28Å; I125-F135 HydrophobicContact CG2-CZ 3.72Å; I125-F150 HydrophobicContact CD1-CD1 4.18Å; I125-E151 PolarHBondContact N-O 3.29Å; I125-L174 HydrophobicContact CG1-CD2 4Å
126	S	82.4	Confident	88.6	Confident	23 Å²	23	55.4 Å²	55.4	16%	0.161	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-67.8	117.8	171.3	-168.4	0	0	0	0	109.9	N170	S126-N170 PolarHBondContact O-ND2 3.04Å; S126-N170 VanDerWaalsContact O-ND2 3.15Å
127	V	77	Confident	88.6	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.018	29%	0.285	C	S	.	.			trans	-113.6	-2.4	-175.4	-70.9	0	0	0	0	113.6	I125 V152 S153 S156 T167	I125-V127 HydrophobicContact CG2-CG1 4.45Å; I125-V127 PolarHBondContact O-N 2.81Å; V127-V152 HydrophobicContact CG1-CG1 4.34Å; V127-S153 WeakPolarHBondContact CG2-OG 3.14Å; V127-S156 VanDerWaalsContact CG2-OG 3.32Å; V127-S156 WeakPolarHBondContact CG2-OG 3.44Å; V127-T167 HydrophobicContact CB-CG2 3.98Å; V127-T167 HydrophobicContact CG1-CG2 4.18Å; V127-T167 HydrophobicContact CG2-CG2 4.37Å; V127-T167 PolarHBondContact O-N 2.79Å; V127-T167 PolarHBondContact O-OG1 3.33Å; V127-T167 VanDerWaalsContact O-OG1 3.1Å
128	T	76.4	Confident	88.7	Confident	57 Å²	57	56 Å²	56	35%	0.35	28%	0.284	S	S	.	.	S	Bend	trans	-81.6	-22.6	-176.9	50.6	0	0	0	0	113	M163	T128-M163 HydrophobicContact CG2-SD 4.5Å
129	E	82.9	Confident	88.9	Confident	137 Å²	137	55.9 Å²	55.9	64%	0.64	28%	0.283	S	S	*	.	S	Bend	trans	-134.1	163	-176.6	-61.5	-177.9	176.2	0	0	111	L131 N170	E129-L131 PolarHBondContact O-N 3.36Å; E129-N170 PolarHBondContact O-ND2 3.29Å
130	K	81.7	Confident	89.1	Confident	161 Å²	161	51.1 Å²	51.1	70%	0.7	26%	0.257	S	S	*	.			trans	-62.8	120.6	171	-173.5	179	178.2	-178.5	0	108.6	Y166	K130-Y166 HydrophobicContact CB-CD1 3.92Å; K130-Y166 HydrophobicContact CB-CE1 3.64Å; K130-Y166 HydrophobicContact CG-CE1 4.38Å
131	L	82.6	Confident	89.1	Confident	21 Å²	21	54.8 Å²	54.8	11%	0.11	28%	0.277	C	S	.	.			trans	-61.3	132	176	-73.9	168.4	0	0	0	109.8	I125 E129 F133 F135 N170	I125-L131 HydrophobicContact CG2-CD1 3.95Å; E129-L131 PolarHBondContact O-N 3.36Å; L131-F133 HydrophobicContact CD2-CE1 4.06Å; L131-F133 HydrophobicContact CD2-CZ 4.15Å; L131-F133 PolarHBondContact O-N 3.41Å; L131-F135 HydrophobicContact CD1-CE1 4.43Å; L131-F135 HydrophobicContact CD1-CE2 3.68Å; L131-F135 HydrophobicContact CD1-CZ 3.42Å; L131-F135 VanDerWaalsContact CD1-CZ 3.42Å; L131-N170 HydrophobicContact CD1-CB 3.76Å; L131-N170 HydrophobicContact CG-CB 4.38Å
132	P	80.5	Confident	89	Confident	112 Å²	112	55.6 Å²	55.6	73%	0.727	29%	0.286	S	S	*	.	S	Bend	trans	-78.2	6	179.9	29.9	-31	0	0	0	112.6
133	F	83.7	Confident	88.9	Confident	14 Å²	14	55.6 Å²	55.6	6%	0.061	29%	0.286	C	S	.	.	S	Bend	trans	-147.7	165.3	-174.7	65	-92.7	0	0	0	112.3	E108 F111 L131 F135	E108-F133 HydrophobicContact CB-CB 3.56Å; E108-F133 HydrophobicContact CB-CD1 4.02Å; E108-F133 HydrophobicContact CB-CD2 4.12Å; E108-F133 HydrophobicContact CB-CG 3.64Å; E108-F133 HydrophobicContact CG-CB 3.75Å; E108-F133 HydrophobicContact CG-CD2 3.99Å; E108-F133 HydrophobicContact CG-CG 3.94Å; F111-F133 HydrophobicContact CB-CE2 4.08Å; F111-F133 HydrophobicContact CB-CZ 3.97Å; F111-F133 HydrophobicContact CD1-CE2 4.16Å; F111-F133 HydrophobicContact CD2-CE2 4.49Å; F111-F133 AromaticContact CG-CE2 3.98Å; F111-F133 HydrophobicContact CG-CE2 3.98Å; F111-F133 HydrophobicContact CG-CZ 4.19Å; L131-F133 HydrophobicContact CD2-CE1 4.06Å; L131-F133 HydrophobicContact CD2-CZ 4.15Å; L131-F133 PolarHBondContact O-N 3.41Å; F133-F135 HydrophobicContact CE2-CD1 4.19Å; F133-F135 AromaticContact CE2-CE1 3.91Å; F133-F135 HydrophobicContact CE2-CE1 3.91Å
134	F	86.6	Confident	88.8	Confident	167 Å²	167	56.8 Å²	56.8	73%	0.732	29%	0.291	S	S	*	.			trans	-104.1	149.5	175.9	-61.9	-78.3	0	0	0	111.5	K136	F134-K136 PolarHBondContact O-N 3.07Å
135	F	91.1	Very high	88.8	Confident	9 Å²	9	63 Å²	63	4%	0.039	32%	0.324	C	S	.	.			trans	-76.1	107.4	177.7	-68.6	-60.8	0	0	0	111.9	F111 I125 L131 F133 I140 C173 L174 S177	F111-F135 HydrophobicContact CD2-CE1 4.4Å; F111-F135 AromaticContact CE1-CD1 3.81Å; F111-F135 HydrophobicContact CE1-CD1 3.81Å; F111-F135 HydrophobicContact CE1-CE1 4.31Å; F111-F135 HydrophobicContact CE2-CD1 4.13Å; F111-F135 AromaticContact CE2-CE1 3.85Å; F111-F135 HydrophobicContact CE2-CE1 3.85Å; F111-F135 AromaticContact CZ-CD1 3.58Å; F111-F135 HydrophobicContact CZ-CD1 3.58Å; F111-F135 AromaticContact CZ-CE1 3.81Å; F111-F135 HydrophobicContact CZ-CE1 3.81Å; I125-F135 HydrophobicContact CD1-CE1 3.83Å; I125-F135 HydrophobicContact CD1-CZ 3.97Å; I125-F135 HydrophobicContact CG1-CZ 4.28Å; I125-F135 HydrophobicContact CG2-CZ 3.72Å; L131-F135 HydrophobicContact CD1-CE1 4.43Å; L131-F135 HydrophobicContact CD1-CE2 3.68Å; L131-F135 HydrophobicContact CD1-CZ 3.42Å; L131-F135 VanDerWaalsContact CD1-CZ 3.42Å; F133-F135 HydrophobicContact CE2-CD1 4.19Å; F133-F135 AromaticContact CE2-CE1 3.91Å; F133-F135 HydrophobicContact CE2-CE1 3.91Å; F135-I140 HydrophobicContact CB-CD1 3.69Å; F135-I140 HydrophobicContact CD1-CD1 4.3Å; F135-I140 HydrophobicContact CG-CD1 4.23Å; F135-C173 HydrophobicContact CD2-CB 4.1Å; F135-C173 HydrophobicContact CE2-CB 4.35Å; F135-L174 HydrophobicContact CD1-CD1 4.32Å; F135-L174 HydrophobicContact CD2-CB 4.04Å; F135-L174 HydrophobicContact CD2-CD1 4.44Å; F135-L174 HydrophobicContact CE1-CD1 4.4Å; F135-L174 HydrophobicContact CE2-CB 3.87Å; F135-L174 HydrophobicContact CG-CD1 4.34Å; F135-L174 HydrophobicContact CZ-CB 4.44Å; F135-L174 HydrophobicContact CZ-CD1 4.48Å; F135-S177 PolarHBondContact O-OG 3.28Å
136	K	92.9	Very high	88.9	Confident	124 Å²	124	66.2 Å²	66.2	54%	0.539	34%	0.336	S	S	.	.			trans	-75.1	138.4	171.7	-71.2	171.8	176.6	156.2	0	110.5	E108 F134 P139	E108-K136 VanDerWaalsContact OE1-CE 3.3Å; E108-K136 WeakPolarHBondContact OE1-CE 3.37Å; E108-K136 IonicContact OE1-NZ 2.8Å; E108-K136 PolarHBondContact OE1-NZ 3.42Å; F134-K136 PolarHBondContact O-N 3.07Å; K136-P139 HydrophobicContact CB-CG 4.14Å; K136-P139 WeakPolarHBondContact O-CD 3.41Å
137	R	93.5	Very high	89.4	Confident	145 Å²	145	66.5 Å²	66.5	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-66	-39.8	-179.1	-71.1	-172.5	177.5	160.6	4.2	113.9	I140 N141	R137-I140 PolarHBondContact O-N 3.3Å; R137-N141 PolarHBondContact O-N 3.22Å
138	A	94.8	Very high	90.3	Very high	76 Å²	76	66.4 Å²	66.4	63%	0.628	34%	0.342	S	S	*	.	H	α-helix	trans	-61	-48.5	-175.4	0	0	0	0	0	113	I140 N141 G142	A138-I140 PolarHBondContact O-N 2.93Å; A138-N141 PolarHBondContact O-N 3.31Å; A138-G142 PolarHBondContact O-N 3.43Å
139	P	95.4	Very high	91.3	Very high	6 Å²	6	63.8 Å²	63.8	4%	0.039	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-43.4	172.6	-26.1	35.7	0	0	0	113	H112 C115 K136 N141 G142 A143	H112-P139 VanDerWaalsContact CD2-CG 3.4Å; H112-P139 WeakPolarHBondContact CD2-CG 3.48Å; C115-P139 HydrophobicContact CB-CB 3.73Å; C115-P139 WeakPolarHBondContact CB-O 3.38Å; K136-P139 HydrophobicContact CB-CG 4.14Å; K136-P139 WeakPolarHBondContact O-CD 3.41Å; P139-N141 PolarHBondContact O-N 2.74Å; P139-G142 PolarHBondContact O-N 3.2Å; P139-A143 PolarHBondContact O-N 3.5Å
140	I	95.8	Very high	92	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-48.2	179.8	-77.6	172.9	0	0	0	111.4	F111 F135 R137 A138 G142 A143 I144 F150 L174 C178	F111-I140 HydrophobicContact CE1-CG1 4.3Å; F111-I140 HydrophobicContact CZ-CD1 4.49Å; F111-I140 HydrophobicContact CZ-CG1 4.06Å; F135-I140 HydrophobicContact CB-CD1 3.69Å; F135-I140 HydrophobicContact CD1-CD1 4.3Å; F135-I140 HydrophobicContact CG-CD1 4.23Å; R137-I140 PolarHBondContact O-N 3.3Å; A138-I140 PolarHBondContact O-N 2.93Å; I140-G142 VanDerWaalsContact C-N 3.31Å; I140-G142 PolarHBondContact O-N 3.02Å; I140-A143 WeakPolarHBondContact O-CB 3.32Å; I140-A143 PolarHBondContact O-N 2.87Å; I140-A143 VanDerWaalsContact O-N 3.13Å; I140-I144 HydrophobicContact CG2-CD1 3.67Å; I140-I144 HydrophobicContact CG2-CG1 4.39Å; I140-I144 VanDerWaalsContact O-CG1 3.29Å; I140-I144 WeakPolarHBondContact O-CG1 3.35Å; I140-I144 PolarHBondContact O-N 3.3Å; I140-F150 HydrophobicContact CB-CE2 4.39Å; I140-F150 HydrophobicContact CB-CZ 4.21Å; I140-F150 HydrophobicContact CG1-CE1 4.39Å; I140-F150 HydrophobicContact CG1-CE2 4.29Å; I140-F150 HydrophobicContact CG1-CZ 3.83Å; I140-F150 HydrophobicContact CG2-CE2 3.89Å; I140-F150 HydrophobicContact CG2-CZ 4.22Å; I140-L174 HydrophobicContact CD1-CD1 4Å; I140-C178 HydrophobicContact CG2-CB 3.79Å
141	N	95.1	Very high	92.7	Very high	77 Å²	77	49.8 Å²	49.8	41%	0.412	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-40.5	177.5	-69	-14.9	0	0	0	111.4	R137 A138 P139 A143 I144 D145	R137-N141 PolarHBondContact O-N 3.22Å; A138-N141 PolarHBondContact O-N 3.31Å; P139-N141 PolarHBondContact O-N 2.74Å; N141-A143 VanDerWaalsContact C-N 3.26Å; N141-A143 PolarHBondContact O-N 3.48Å; N141-I144 PolarHBondContact O-N 2.93Å; N141-I144 VanDerWaalsContact O-N 3.15Å; N141-D145 WeakPolarHBondContact O-CB 3.03Å; N141-D145 PolarHBondContact O-N 2.72Å
142	G	94.9	Very high	93.3	Very high	18 Å²	18	48.8 Å²	48.8	19%	0.186	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-31.5	174.6	0	0	0	0	0	113.9	C115 A138 P139 I140 R146	C115-G142 CarbonylContact O-C 3.59Å; A138-G142 PolarHBondContact O-N 3.43Å; P139-G142 PolarHBondContact O-N 3.2Å; I140-G142 VanDerWaalsContact C-N 3.31Å; I140-G142 PolarHBondContact O-N 3.02Å; G142-R146 VanDerWaalsContact O-CG 3.32Å; G142-R146 WeakPolarHBondContact O-CG 3.38Å; G142-R146 PolarHBondContact O-NE 3Å
143	A	95.9	Very high	94	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-74.3	-43.4	172.5	0	0	0	0	0	111.7	C115 I123 P139 I140 N141 D145 R146 G147 V148 F150	C115-A143 HydrophobicContact CB-CB 4.13Å; C115-A143 PolarHBondContact O-N 2.79Å; I123-A143 HydrophobicContact CD1-CB 4.28Å; P139-A143 PolarHBondContact O-N 3.5Å; I140-A143 WeakPolarHBondContact O-CB 3.32Å; I140-A143 PolarHBondContact O-N 2.87Å; I140-A143 VanDerWaalsContact O-N 3.13Å; N141-A143 VanDerWaalsContact C-N 3.26Å; N141-A143 PolarHBondContact O-N 3.48Å; A143-D145 PolarHBondContact O-N 2.92Å; A143-R146 PolarHBondContact O-N 3.08Å; A143-G147 PolarHBondContact O-N 3.27Å; A143-V148 HydrophobicContact CB-CB 4.19Å; A143-V148 WeakPolarHBondContact O-CB 3.26Å; A143-V148 PolarHBondContact O-N 2.82Å; A143-F150 HydrophobicContact CB-CE2 4.18Å; A143-F150 HydrophobicContact CB-CZ 3.67Å
144	I	95.3	Very high	94.5	Very high	24 Å²	24	43.9 Å²	43.9	12%	0.123	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-46	178.8	-68.8	169.8	0	0	0	111	I140 N141 R146 G147 F150 C178 K181 N182	I140-I144 HydrophobicContact CG2-CD1 3.67Å; I140-I144 HydrophobicContact CG2-CG1 4.39Å; I140-I144 VanDerWaalsContact O-CG1 3.29Å; I140-I144 WeakPolarHBondContact O-CG1 3.35Å; I140-I144 PolarHBondContact O-N 3.3Å; N141-I144 PolarHBondContact O-N 2.93Å; N141-I144 VanDerWaalsContact O-N 3.15Å; I144-R146 PolarHBondContact O-N 3.31Å; I144-G147 PolarHBondContact O-N 3.43Å; I144-F150 HydrophobicContact CG1-CE2 4.16Å; I144-C178 HydrophobicContact CD1-CB 4.4Å; I144-K181 HydrophobicContact CD1-CB 4.13Å; I144-N182 HydrophobicContact CG1-CB 4.1Å; I144-N182 PolarHBondContact O-ND2 3.11Å
145	D	94.1	Very high	94.9	Very high	139 Å²	139	36 Å²	36	74%	0.743	19%	0.193	S	C	*	.	H	α-helix	trans	-63.9	-28	-179.2	-67.9	-20.4	0	0	0	112.1	N141 A143 G147	N141-D145 WeakPolarHBondContact O-CB 3.03Å; N141-D145 PolarHBondContact O-N 2.72Å; A143-D145 PolarHBondContact O-N 2.92Å; D145-G147 VanDerWaalsContact C-N 3.29Å
146	R	93.9	Very high	94.7	Very high	78 Å²	78	35.9 Å²	35.9	29%	0.294	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-4.7	173.4	-67.3	-174	-56.3	133.9	6.7	113.5	T114 C115 C118 G142 A143 I144 V148 H229	T114-R146 PolarHBondContact O-NH2 3.11Å; C115-R146 PolarHBondContact O-NE 3.41Å; C115-R146 PolarHBondContact O-NH2 3.49Å; C118-R146 PolarHBondContact O-NH1 3.49Å; G142-R146 VanDerWaalsContact O-CG 3.32Å; G142-R146 WeakPolarHBondContact O-CG 3.38Å; G142-R146 PolarHBondContact O-NE 3Å; A143-R146 PolarHBondContact O-N 3.08Å; I144-R146 PolarHBondContact O-N 3.31Å; R146-V148 VanDerWaalsContact C-N 3.33Å; R146-V148 HydrophobicContact CB-CG2 4.12Å; R146-H229 PolarHBondContact O-NE2 3.28Å
147	G	92.7	Very high	94.6	Very high	28 Å²	28	30.5 Å²	30.5	29%	0.289	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	11	-176.8	0	0	0	0	0	114.4	A143 I144 D145	A143-G147 PolarHBondContact O-N 3.27Å; I144-G147 PolarHBondContact O-N 3.43Å; D145-G147 VanDerWaalsContact C-N 3.29Å
148	V	96.3	Very high	94.6	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	16%	0.161	C	C	.	.			trans	-76.6	143.4	175.4	-172.5	0	0	0	0	109.5	V120 I123 A143 R146 N182	V120-V148 HydrophobicContact CG2-CG1 4.31Å; V120-V148 WeakPolarHBondContact O-CG2 3.39Å; I123-V148 HydrophobicContact CD1-CG1 3.76Å; I123-V148 HydrophobicContact CG1-CG1 3.66Å; A143-V148 HydrophobicContact CB-CB 4.19Å; A143-V148 WeakPolarHBondContact O-CB 3.26Å; A143-V148 PolarHBondContact O-N 2.82Å; R146-V148 VanDerWaalsContact C-N 3.33Å; R146-V148 HydrophobicContact CB-CG2 4.12Å; V148-N182 PolarHBondContact O-ND2 3.05Å
149	V	97.3	Very high	94.4	Very high	2 Å²	2	28 Å²	28	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.4	-173.9	173.4	0	0	0	0	110.9	D121 I122 I123 N182 I184 T222 V226	D121-V149 PolarHBondContact O-N 3.31Å; I122-V149 CarbonylContact C-O 3.5Å; I122-V149 WeakPolarHBondContact CA-O 3.39Å; I123-V149 PolarHBondContact N-O 2.99Å; V149-N182 CarbonylContact C-O 3.6Å; V149-N182 WeakPolarHBondContact CA-O 3.45Å; V149-N182 WeakPolarHBondContact CG1-O 3.44Å; V149-N182 HydrophobicContact CG2-CB 4.15Å; V149-I184 HydrophobicContact CG1-CB 4.13Å; V149-I184 HydrophobicContact CG1-CD1 4.33Å; V149-I184 HydrophobicContact CG1-CG1 3.84Å; V149-I184 HydrophobicContact CG1-CG2 3.54Å; V149-T222 HydrophobicContact CG1-CG2 3.9Å; V149-T222 HydrophobicContact CG2-CG2 4.11Å; V149-V226 HydrophobicContact CB-CG2 3.6Å; V149-V226 HydrophobicContact CG1-CG2 3.82Å; V149-V226 HydrophobicContact CG2-CG2 3.44Å; V149-V226 VanDerWaalsContact CG2-CG2 3.44Å
150	F	97.4	Very high	94.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137.1	175	-61.4	-78.4	0	0	0	110.7	F111 I123 I125 I140 A143 I144 L174 N182 V183 I184	F111-F150 HydrophobicContact CE2-CD1 4.36Å; F111-F150 AromaticContact CE2-CE1 3.86Å; F111-F150 HydrophobicContact CE2-CE1 3.86Å; F111-F150 AromaticContact CZ-CE1 3.78Å; F111-F150 HydrophobicContact CZ-CE1 3.78Å; F111-F150 HydrophobicContact CZ-CZ 4.49Å; I123-F150 HydrophobicContact CB-CD1 3.94Å; I123-F150 HydrophobicContact CB-CE1 4.15Å; I123-F150 HydrophobicContact CD1-CE1 3.92Å; I123-F150 HydrophobicContact CD1-CZ 4.48Å; I123-F150 HydrophobicContact CG2-CD1 4.15Å; I123-F150 HydrophobicContact CG2-CE1 4.24Å; I123-F150 WeakPolarHBondContact O-CA 3.46Å; I125-F150 HydrophobicContact CD1-CD1 4.18Å; I140-F150 HydrophobicContact CB-CE2 4.39Å; I140-F150 HydrophobicContact CB-CZ 4.21Å; I140-F150 HydrophobicContact CG1-CE1 4.39Å; I140-F150 HydrophobicContact CG1-CE2 4.29Å; I140-F150 HydrophobicContact CG1-CZ 3.83Å; I140-F150 HydrophobicContact CG2-CE2 3.89Å; I140-F150 HydrophobicContact CG2-CZ 4.22Å; A143-F150 HydrophobicContact CB-CE2 4.18Å; A143-F150 HydrophobicContact CB-CZ 3.67Å; I144-F150 HydrophobicContact CG1-CE2 4.16Å; F150-L174 HydrophobicContact CB-CD1 4.44Å; F150-L174 HydrophobicContact CB-CD2 3.83Å; F150-L174 HydrophobicContact CD1-CD1 4.32Å; F150-L174 HydrophobicContact CG-CD1 4.19Å; F150-L174 HydrophobicContact CG-CD2 4.46Å; F150-N182 PolarHBondContact N-O 3.25Å; F150-V183 HydrophobicContact CB-CG2 4.49Å; F150-V183 CarbonylContact O-C 3.58Å; F150-V183 VanDerWaalsContact O-CA 3.27Å; F150-V183 WeakPolarHBondContact O-CA 3.33Å; F150-I184 PolarHBondContact O-N 3.3Å
151	E	97.1	Very high	94	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.1	179.8	177.1	-174.9	-174.2	0	0	111.9	N8 R77 I122 I123 C124 I125 I184 S186	N8-E151 WeakPolarHBondContact CB-OE1 3.43Å; N8-E151 PolarHBondContact ND2-OE1 3.01Å; R77-E151 IonicContact CZ-OE1 2.87Å; R77-E151 IonicContact CZ-OE2 2.84Å; R77-E151 IonicContact NH1-OE1 2.88Å; R77-E151 PolarHBondContact NH1-OE1 3.37Å; R77-E151 IonicContact NH1-OE2 3.67Å; R77-E151 PolarHBondContact NH1-OE2 2.93Å; R77-E151 IonicContact NH2-OE1 3.58Å; R77-E151 IonicContact NH2-OE2 3.72Å; R77-E151 PolarHBondContact NH2-OE2 2.94Å; I122-E151 HydrophobicContact CG2-CB 3.53Å; I122-E151 HydrophobicContact CG2-CG 4.47Å; I122-E151 VanDerWaalsContact CG2-OE2 3.31Å; I122-E151 WeakPolarHBondContact CG2-OE2 3.33Å; I123-E151 PolarHBondContact O-N 3.12Å; C124-E151 PolarHBondContact SG-OE2 3.1Å; C124-E151 VanDerWaalsContact SG-OE2 3.36Å; I125-E151 PolarHBondContact N-O 3.29Å; E151-I184 WeakPolarHBondContact CA-O 3.4Å; E151-I184 HydrophobicContact CB-CD1 4.03Å; E151-I184 HydrophobicContact CB-CG1 3.75Å; E151-I184 HydrophobicContact CG-CD1 4.16Å; E151-I184 HydrophobicContact CG-CG1 4.02Å; E151-S186 WeakPolarHBondContact CG-OG 3.27Å; E151-S186 WeakPolarHBondContact OE1-CB 3.31Å; E151-S186 PolarHBondContact OE1-OG 3Å
152	V	95.3	Very high	93.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.1	168.8	-178.7	0	0	0	0	108.5	V127 A171 L174 M175 V183 I184 V185 S186 F208	V127-V152 HydrophobicContact CG1-CG1 4.34Å; V152-A171 HydrophobicContact CG1-CB 3.87Å; V152-A171 HydrophobicContact CG2-CB 4.32Å; V152-L174 HydrophobicContact CG2-CD2 3.97Å; V152-M175 HydrophobicContact CG2-CE 4.1Å; V152-V183 HydrophobicContact CG2-CG1 4.32Å; V152-I184 PolarHBondContact N-O 3.46Å; V152-V185 WeakPolarHBondContact O-CA 3.44Å; V152-S186 PolarHBondContact O-N 3.13Å; V152-S186 VanDerWaalsContact O-N 3.12Å; V152-F208 HydrophobicContact CG1-CD2 4.32Å; V152-F208 HydrophobicContact CG1-CE2 4.18Å; V152-F208 HydrophobicContact CG1-CZ 4.4Å
153	S	94.9	Very high	93.7	Very high	22 Å²	22	35.4 Å²	35.4	15%	0.154	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	137.1	174.3	57.3	0	0	0	0	111.3	V127 S186	V127-S153 WeakPolarHBondContact CG2-OG 3.14Å; S153-S186 VanDerWaalsContact CA-O 3.3Å; S153-S186 WeakPolarHBondContact CA-O 3.48Å
154	Y	94.8	Very high	93.5	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	21%	0.212	C	C	.	.			trans	-100.4	-16.8	-176.7	72	-102.8	0	0	0	114.8	S156 A157 L158 V185 S186 S187 E194 R196 I201 L204	Y154-S156 PolarHBondContact O-N 3.38Å; Y154-A157 WeakPolarHBondContact O-CB 3.45Å; Y154-A157 PolarHBondContact O-N 2.77Å; Y154-L158 HydrophobicContact CD2-CD1 3.98Å; Y154-L158 HydrophobicContact CD2-CG 4.37Å; Y154-L158 HydrophobicContact CE2-CD1 3.88Å; Y154-V185 HydrophobicContact CD1-CG1 3.94Å; Y154-S186 WeakPolarHBondContact CD1-O 2.96Å; Y154-S186 WeakPolarHBondContact CE1-O 3.32Å; Y154-S186 PolarHBondContact N-O 3.37Å; Y154-S187 VanDerWaalsContact CE1-CA 3.4Å; Y154-S187 VanDerWaalsContact OH-CB 3.29Å; Y154-S187 WeakPolarHBondContact OH-CB 3.44Å; Y154-E194 VanDerWaalsContact CE2-O 3.3Å; Y154-E194 WeakPolarHBondContact CE2-O 3.27Å; Y154-E194 PolarHBondContact OH-O 3.01Å; Y154-R196 HydrophobicContact CE2-CB 4.31Å; Y154-R196 HydrophobicContact CE2-CG 3.9Å; Y154-R196 PolarHBondContact OH-N 3.44Å; Y154-I201 HydrophobicContact CD1-CG1 4.48Å; Y154-I201 HydrophobicContact CE1-CD1 3.69Å; Y154-I201 HydrophobicContact CE1-CG1 3.82Å; Y154-L204 VanDerWaalsContact CB-CD2 3.45Å; Y154-L204 HydrophobicContact CD1-CD2 4.43Å; Y154-L204 HydrophobicContact CD2-CD2 4.27Å; Y154-L204 HydrophobicContact CG-CD2 3.82Å
155	A	93.4	Very high	93.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-32.6	-176.3	0	0	0	0	0	113	A157 L158 R159 S187 E194	A155-A157 PolarHBondContact O-N 3.13Å; A155-L158 WeakPolarHBondContact O-CB 3.29Å; A155-L158 PolarHBondContact O-N 3.37Å; A155-R159 WeakPolarHBondContact O-CG 3.47Å; A155-R159 PolarHBondContact O-N 2.93Å; A155-S187 WeakPolarHBondContact CA-O 3.42Å; A155-S187 WeakPolarHBondContact CB-O 3.34Å; A155-S187 PolarHBondContact N-O 3.01Å; A155-E194 HydrophobicContact CB-CB 4.46Å
156	S	88.4	Confident	93.4	Very high	8 Å²	8	45.8 Å²	45.8	6%	0.056	22%	0.219	C	C	.	.	H	α-helix	trans	-55.6	-37.9	174.2	51.4	0	0	0	0	112.4	V127 Y154 L158 R159 M163 T167	V127-S156 VanDerWaalsContact CG2-OG 3.32Å; V127-S156 WeakPolarHBondContact CG2-OG 3.44Å; Y154-S156 PolarHBondContact O-N 3.38Å; S156-L158 VanDerWaalsContact C-N 3.27Å; S156-L158 PolarHBondContact O-N 3Å; S156-R159 PolarHBondContact O-N 3.36Å; S156-M163 WeakPolarHBondContact O-CB 3.47Å; S156-T167 PolarHBondContact OG-OG1 2.66Å
157	A	91.2	Very high	93.4	Very high	10 Å²	10	42.1 Å²	42.1	8%	0.083	21%	0.205	C	C	.	.	H	α-helix	trans	-71.6	-20.1	179.2	0	0	0	0	0	113.7	Y154 A155 R164 T167	Y154-A157 WeakPolarHBondContact O-CB 3.45Å; Y154-A157 PolarHBondContact O-N 2.77Å; A155-A157 PolarHBondContact O-N 3.13Å; A157-R164 HydrophobicContact CB-CB 4.19Å; A157-R164 HydrophobicContact CB-CG 4.1Å; A157-R164 PolarHBondContact O-NE 3.05Å; A157-R164 PolarHBondContact O-NH2 3.05Å; A157-T167 HydrophobicContact CB-CG2 4.06Å
158	L	91.6	Very high	93.4	Very high	63 Å²	63	43.4 Å²	43.4	33%	0.33	21%	0.205	S	C	.	.	H	α-helix	trans	-83.4	-33.6	176.4	-59.8	-179.8	0	0	0	112	Y154 A155 S156	Y154-L158 HydrophobicContact CD2-CD1 3.98Å; Y154-L158 HydrophobicContact CD2-CG 4.37Å; Y154-L158 HydrophobicContact CE2-CD1 3.88Å; A155-L158 WeakPolarHBondContact O-CB 3.29Å; A155-L158 PolarHBondContact O-N 3.37Å; S156-L158 VanDerWaalsContact C-N 3.27Å; S156-L158 PolarHBondContact O-N 3Å
159	R	90.8	Very high	93.3	Very high	105 Å²	105	46 Å²	46	40%	0.396	23%	0.226	S	C	.	.	H	α-helix	trans	-75.7	-46.3	-172.2	-67.6	173.7	-174.4	169.2	10.7	113.5	A155 S156 A188 E190 E194	A155-R159 WeakPolarHBondContact O-CG 3.47Å; A155-R159 PolarHBondContact O-N 2.93Å; S156-R159 PolarHBondContact O-N 3.36Å; R159-A188 PolarHBondContact NH2-O 2.85Å; R159-E190 IonicContact CZ-OE1 2.77Å; R159-E190 VanDerWaalsContact CZ-OE1 3.31Å; R159-E190 IonicContact NH1-OE1 3.51Å; R159-E190 PolarHBondContact NH1-OE1 2.97Å; R159-E190 IonicContact NH2-OE1 3.61Å; R159-E190 PolarHBondContact NH2-OE1 3.48Å; R159-E194 IonicContact CZ-OE1 2.72Å; R159-E194 IonicContact CZ-OE2 3.89Å; R159-E194 IonicContact NE-OE1 3.12Å; R159-E194 PolarHBondContact NE-OE1 2.83Å; R159-E194 IonicContact NE-OE2 3.31Å; R159-E194 IonicContact NH2-OE1 2.66Å; R159-E194 PolarHBondContact NH2-OE1 2.89Å; R159-E194 IonicContact NH2-OE2 3.31Å; R159-E194 PolarHBondContact NH2-OE2 2.8Å
160	D	90.8	Very high	93.1	Very high	62 Å²	62	46.5 Å²	46.5	33%	0.332	23%	0.229	S	C	.	.			trans	-138.5	144.6	-174.4	176.4	-105.4	0	0	0	112.5	T162 M163 R164	D160-T162 VanDerWaalsContact C-N 3.35Å; D160-T162 PolarHBondContact O-N 3.04Å; D160-T162 VanDerWaalsContact OD1-CA 3.26Å; D160-T162 WeakPolarHBondContact OD1-CA 3.49Å; D160-T162 WeakPolarHBondContact OD1-CB 3.38Å; D160-T162 PolarHBondContact OD1-N 3.04Å; D160-T162 PolarHBondContact OD1-OG1 3.46Å; D160-M163 HydrophobicContact CB-CB 4.12Å; D160-M163 HydrophobicContact CB-CG 4.01Å; D160-M163 HydrophobicContact CB-SD 4.21Å; D160-M163 PolarHBondContact OD1-N 2.64Å; D160-R164 WeakPolarHBondContact O-CB 3.39Å; D160-R164 PolarHBondContact O-N 3.36Å
161	S	91.9	Very high	92.9	Very high	62 Å²	62	46.5 Å²	46.5	43%	0.434	23%	0.229	S	C	.	.	H	α-helix	trans	-70.6	-29.4	-177.7	70.5	0	0	0	0	113.4	R165	S161-R165 PolarHBondContact O-N 2.83Å
162	T	91.9	Very high	92.8	Very high	65 Å²	65	48.6 Å²	48.6	40%	0.399	24%	0.242	S	C	.	.	H	α-helix	trans	-74.6	-47.9	175.5	-45.6	0	0	0	0	109.6	D160 R164 R165 Y166	D160-T162 VanDerWaalsContact C-N 3.35Å; D160-T162 PolarHBondContact O-N 3.04Å; D160-T162 VanDerWaalsContact OD1-CA 3.26Å; D160-T162 WeakPolarHBondContact OD1-CA 3.49Å; D160-T162 WeakPolarHBondContact OD1-CB 3.38Å; D160-T162 PolarHBondContact OD1-N 3.04Å; D160-T162 PolarHBondContact OD1-OG1 3.46Å; T162-R164 PolarHBondContact O-N 2.87Å; T162-R165 WeakPolarHBondContact O-CB 3.25Å; T162-R165 PolarHBondContact O-N 2.82Å; T162-Y166 HydrophobicContact CG2-CD2 4.28Å; T162-Y166 HydrophobicContact CG2-CE2 3.66Å; T162-Y166 PolarHBondContact O-N 3.49Å
163	M	91.8	Very high	92.7	Very high	68 Å²	68	50 Å²	50	34%	0.335	25%	0.252	S	S	.	.	H	α-helix	trans	-57.9	-37.6	174.4	-67.4	-174	-179	0	0	111.9	T128 S156 D160 R165 Y166 T167	T128-M163 HydrophobicContact CG2-SD 4.5Å; S156-M163 WeakPolarHBondContact O-CB 3.47Å; D160-M163 HydrophobicContact CB-CB 4.12Å; D160-M163 HydrophobicContact CB-CG 4.01Å; D160-M163 HydrophobicContact CB-SD 4.21Å; D160-M163 PolarHBondContact OD1-N 2.64Å; M163-R165 VanDerWaalsContact C-N 3.34Å; M163-R165 PolarHBondContact O-N 3.16Å; M163-Y166 PolarHBondContact O-N 2.81Å; M163-T167 WeakPolarHBondContact O-CB 3.33Å; M163-T167 PolarHBondContact O-N 3.38Å; M163-T167 PolarHBondContact O-OG1 2.84Å
164	R	93.7	Very high	92.6	Very high	115 Å²	115	49 Å²	49	43%	0.434	24%	0.244	S	C	.	.	H	α-helix	trans	-56.1	-45.4	173.3	-175.7	-178.6	-56.3	148.2	7.4	112.8	A157 D160 T162 T167 I168	A157-R164 HydrophobicContact CB-CB 4.19Å; A157-R164 HydrophobicContact CB-CG 4.1Å; A157-R164 PolarHBondContact O-NE 3.05Å; A157-R164 PolarHBondContact O-NH2 3.05Å; D160-R164 WeakPolarHBondContact O-CB 3.39Å; D160-R164 PolarHBondContact O-N 3.36Å; T162-R164 PolarHBondContact O-N 2.87Å; R164-T167 PolarHBondContact O-N 2.74Å; R164-I168 HydrophobicContact CG-CD1 3.94Å; R164-I168 WeakPolarHBondContact O-CG1 3.16Å; R164-I168 PolarHBondContact O-N 3.24Å
165	R	93.4	Very high	92.6	Very high	184 Å²	184	49.4 Å²	49.4	69%	0.694	25%	0.246	S	C	*	.	H	α-helix	trans	-62.2	-45	178.4	-66.1	176.6	-168.9	-179.4	3.5	110.9	S161 T162 M163 A169	S161-R165 PolarHBondContact O-N 2.83Å; T162-R165 WeakPolarHBondContact O-CB 3.25Å; T162-R165 PolarHBondContact O-N 2.82Å; M163-R165 VanDerWaalsContact C-N 3.34Å; M163-R165 PolarHBondContact O-N 3.16Å; R165-A169 VanDerWaalsContact O-CB 3.25Å; R165-A169 WeakPolarHBondContact O-CB 3.3Å; R165-A169 PolarHBondContact O-N 3.1Å
166	Y	93.1	Very high	92.5	Very high	83 Å²	83	54.9 Å²	54.9	33%	0.325	27%	0.272	S	S	.	.	H	α-helix	trans	-67.4	-41.2	178.2	-63.7	-43.5	0	0	0	112.6	K130 T162 M163 I168 A169 N170	K130-Y166 HydrophobicContact CB-CD1 3.92Å; K130-Y166 HydrophobicContact CB-CE1 3.64Å; K130-Y166 HydrophobicContact CG-CE1 4.38Å; T162-Y166 HydrophobicContact CG2-CD2 4.28Å; T162-Y166 HydrophobicContact CG2-CE2 3.66Å; T162-Y166 PolarHBondContact O-N 3.49Å; M163-Y166 PolarHBondContact O-N 2.81Å; Y166-I168 PolarHBondContact O-N 3.22Å; Y166-A169 PolarHBondContact O-N 3.38Å; Y166-N170 WeakPolarHBondContact O-CB 3.1Å; Y166-N170 PolarHBondContact O-N 3.43Å; Y166-N170 PolarHBondContact O-ND2 2.81Å
167	T	93.4	Very high	92.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-48.9	177.9	-57.6	0	0	0	0	110.7	V127 S156 A157 M163 R164 A171 F208	V127-T167 HydrophobicContact CB-CG2 3.98Å; V127-T167 HydrophobicContact CG1-CG2 4.18Å; V127-T167 HydrophobicContact CG2-CG2 4.37Å; V127-T167 PolarHBondContact O-N 2.79Å; V127-T167 PolarHBondContact O-OG1 3.33Å; V127-T167 VanDerWaalsContact O-OG1 3.1Å; S156-T167 PolarHBondContact OG-OG1 2.66Å; A157-T167 HydrophobicContact CB-CG2 4.06Å; M163-T167 WeakPolarHBondContact O-CB 3.33Å; M163-T167 PolarHBondContact O-N 3.38Å; M163-T167 PolarHBondContact O-OG1 2.84Å; R164-T167 PolarHBondContact O-N 2.74Å; T167-A171 WeakPolarHBondContact O-CB 3.42Å; T167-A171 PolarHBondContact O-N 3.25Å; T167-F208 HydrophobicContact CG2-CE1 4.1Å; T167-F208 HydrophobicContact CG2-CZ 4.29Å
168	I	93.9	Very high	92.8	Very high	56 Å²	56	55 Å²	55	29%	0.287	27%	0.272	S	S	.	.	H	α-helix	trans	-64.2	-48.5	178	-65.2	169.2	0	0	0	110.8	R164 Y166 N170 A171 V172 F208	R164-I168 HydrophobicContact CG-CD1 3.94Å; R164-I168 WeakPolarHBondContact O-CG1 3.16Å; R164-I168 PolarHBondContact O-N 3.24Å; Y166-I168 PolarHBondContact O-N 3.22Å; I168-N170 PolarHBondContact O-N 2.84Å; I168-A171 PolarHBondContact O-N 3.37Å; I168-V172 HydrophobicContact CG2-CG2 4.35Å; I168-V172 WeakPolarHBondContact O-CB 3.36Å; I168-V172 VanDerWaalsContact O-CG2 3.29Å; I168-V172 WeakPolarHBondContact O-CG2 3.47Å; I168-V172 PolarHBondContact O-N 3.34Å; I168-F208 HydrophobicContact CG1-CE1 4.27Å
169	A	93.1	Very high	92.8	Very high	55 Å²	55	58.1 Å²	58.1	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-62.8	-44.9	-177.6	0	0	0	0	0	112.8	R165 Y166 C173	R165-A169 VanDerWaalsContact O-CB 3.25Å; R165-A169 WeakPolarHBondContact O-CB 3.3Å; R165-A169 PolarHBondContact O-N 3.1Å; Y166-A169 PolarHBondContact O-N 3.38Å; A169-C173 WeakPolarHBondContact O-CB 3.38Å; A169-C173 PolarHBondContact O-N 3.48Å
170	N	93.4	Very high	92.6	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-67.9	-39.5	179.2	-65.3	-15	0	0	0	111	S126 E129 L131 Y166 I168 C173 L174	S126-N170 PolarHBondContact O-ND2 3.04Å; S126-N170 VanDerWaalsContact O-ND2 3.15Å; E129-N170 PolarHBondContact O-ND2 3.29Å; L131-N170 HydrophobicContact CD1-CB 3.76Å; L131-N170 HydrophobicContact CG-CB 4.38Å; Y166-N170 WeakPolarHBondContact O-CB 3.1Å; Y166-N170 PolarHBondContact O-N 3.43Å; Y166-N170 PolarHBondContact O-ND2 2.81Å; I168-N170 PolarHBondContact O-N 2.84Å; N170-C173 PolarHBondContact O-N 3.02Å; N170-L174 PolarHBondContact O-N 3.49Å
171	A	93.8	Very high	92.7	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-47.7	176.6	0	0	0	0	0	111.5	V152 T167 I168 C173 L174 M175 F208	V152-A171 HydrophobicContact CG1-CB 3.87Å; V152-A171 HydrophobicContact CG2-CB 4.32Å; T167-A171 WeakPolarHBondContact O-CB 3.42Å; T167-A171 PolarHBondContact O-N 3.25Å; I168-A171 PolarHBondContact O-N 3.37Å; A171-C173 VanDerWaalsContact C-N 3.3Å; A171-C173 PolarHBondContact O-N 3.44Å; A171-L174 WeakPolarHBondContact O-CB 3.41Å; A171-L174 PolarHBondContact O-N 3.41Å; A171-L174 VanDerWaalsContact O-N 3.1Å; A171-M175 WeakPolarHBondContact O-CG 3.41Å; A171-M175 PolarHBondContact O-N 2.87Å; A171-F208 HydrophobicContact CB-CB 3.85Å; A171-F208 HydrophobicContact CB-CD1 3.66Å; A171-F208 HydrophobicContact CB-CE1 4.41Å; A171-F208 HydrophobicContact CB-CG 3.84Å
172	V	93.7	Very high	92.8	Very high	47 Å²	47	56.2 Å²	56.2	29%	0.285	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-43.4	176	170.9	0	0	0	0	110.9	I168 L174 M175 E176	I168-V172 HydrophobicContact CG2-CG2 4.35Å; I168-V172 WeakPolarHBondContact O-CB 3.36Å; I168-V172 VanDerWaalsContact O-CG2 3.29Å; I168-V172 WeakPolarHBondContact O-CG2 3.47Å; I168-V172 PolarHBondContact O-N 3.34Å; V172-L174 VanDerWaalsContact C-N 3.3Å; V172-L174 PolarHBondContact O-N 3.11Å; V172-M175 PolarHBondContact O-N 3.22Å; V172-M175 VanDerWaalsContact O-N 3.13Å; V172-E176 WeakPolarHBondContact O-CG 3.3Å; V172-E176 PolarHBondContact O-N 2.84Å
173	C	92.9	Very high	93	Very high	29 Å²	29	53.2 Å²	53.2	20%	0.196	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-38.3	176.4	-171.4	0	0	0	0	112.4	F135 A169 N170 A171	F135-C173 HydrophobicContact CD2-CB 4.1Å; F135-C173 HydrophobicContact CE2-CB 4.35Å; A169-C173 WeakPolarHBondContact O-CB 3.38Å; A169-C173 PolarHBondContact O-N 3.48Å; N170-C173 PolarHBondContact O-N 3.02Å; A171-C173 VanDerWaalsContact C-N 3.3Å; A171-C173 PolarHBondContact O-N 3.44Å
174	L	93.8	Very high	93.3	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-48	172.8	177.6	69.8	0	0	0	110.8	I125 F135 I140 F150 V152 N170 A171 V172 E176 S177 C178 V183	I125-L174 HydrophobicContact CG1-CD2 4Å; F135-L174 HydrophobicContact CD1-CD1 4.32Å; F135-L174 HydrophobicContact CD2-CB 4.04Å; F135-L174 HydrophobicContact CD2-CD1 4.44Å; F135-L174 HydrophobicContact CE1-CD1 4.4Å; F135-L174 HydrophobicContact CE2-CB 3.87Å; F135-L174 HydrophobicContact CG-CD1 4.34Å; F135-L174 HydrophobicContact CZ-CB 4.44Å; F135-L174 HydrophobicContact CZ-CD1 4.48Å; I140-L174 HydrophobicContact CD1-CD1 4Å; F150-L174 HydrophobicContact CB-CD1 4.44Å; F150-L174 HydrophobicContact CB-CD2 3.83Å; F150-L174 HydrophobicContact CD1-CD1 4.32Å; F150-L174 HydrophobicContact CG-CD1 4.19Å; F150-L174 HydrophobicContact CG-CD2 4.46Å; V152-L174 HydrophobicContact CG2-CD2 3.97Å; N170-L174 PolarHBondContact O-N 3.49Å; A171-L174 WeakPolarHBondContact O-CB 3.41Å; A171-L174 PolarHBondContact O-N 3.41Å; A171-L174 VanDerWaalsContact O-N 3.1Å; V172-L174 VanDerWaalsContact C-N 3.3Å; V172-L174 PolarHBondContact O-N 3.11Å; L174-E176 VanDerWaalsContact C-N 3.29Å; L174-E176 PolarHBondContact O-N 3.34Å; L174-S177 PolarHBondContact O-N 2.96Å; L174-C178 PolarHBondContact O-N 3.41Å; L174-C178 PolarHBondContact O-SG 2.84Å; L174-V183 HydrophobicContact CD2-CG2 4.34Å
175	M	94.3	Very high	93.4	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.049	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-34.3	-177.6	-58.8	-38.5	159.9	0	0	112.8	V152 A171 V172 S177 K179 V183 F208 L210	V152-M175 HydrophobicContact CG2-CE 4.1Å; A171-M175 WeakPolarHBondContact O-CG 3.41Å; A171-M175 PolarHBondContact O-N 2.87Å; V172-M175 PolarHBondContact O-N 3.22Å; V172-M175 VanDerWaalsContact O-N 3.13Å; M175-S177 PolarHBondContact O-N 3.38Å; M175-K179 VanDerWaalsContact O-CA 3.23Å; M175-K179 WeakPolarHBondContact O-CA 3.23Å; M175-K179 PolarHBondContact O-N 3.21Å; M175-V183 HydrophobicContact CE-CB 4.44Å; M175-V183 HydrophobicContact CE-CG1 3.67Å; M175-V183 HydrophobicContact CE-CG2 4.3Å; M175-V183 HydrophobicContact SD-CG1 4.35Å; M175-V183 HydrophobicContact SD-CG2 3.91Å; M175-F208 HydrophobicContact CE-CB 4.31Å; M175-F208 WeakPolarHBondContact CG-O 3.36Å; M175-L210 HydrophobicContact CE-CD1 4.21Å; M175-L210 HydrophobicContact CE-CD2 4.09Å; M175-L210 HydrophobicContact CE-CG 4.01Å; M175-L210 HydrophobicContact CG-CD2 4.31Å; M175-L210 HydrophobicContact CG-CG 4.38Å; M175-L210 HydrophobicContact SD-CD2 3.58Å; M175-L210 VanDerWaalsContact SD-CD2 3.58Å; M175-L210 HydrophobicContact SD-CG 4.03Å
176	E	92.4	Very high	93.6	Very high	116 Å²	116	36 Å²	36	54%	0.542	19%	0.186	S	C	.	.	H	α-helix	trans	-60.4	-32.2	174.5	-75.7	-180	169.7	0	0	112.8	V172 L174 K179	V172-E176 WeakPolarHBondContact O-CG 3.3Å; V172-E176 PolarHBondContact O-N 2.84Å; L174-E176 VanDerWaalsContact C-N 3.29Å; L174-E176 PolarHBondContact O-N 3.34Å; E176-K179 VanDerWaalsContact O-CE 3.3Å; E176-K179 WeakPolarHBondContact O-CE 3.45Å; E176-K179 PolarHBondContact O-NZ 2.88Å
177	S	92.6	Very high	93.7	Very high	18 Å²	18	32 Å²	32	13%	0.126	17%	0.17	C	C	.	.	H	α-helix	trans	-91.4	-42.9	-178.8	-74.3	0	0	0	0	113.7	F135 L174 M175	F135-S177 PolarHBondContact O-OG 3.28Å; L174-S177 PolarHBondContact O-N 2.96Å; M175-S177 PolarHBondContact O-N 3.38Å
178	C	92.2	Very high	93.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.02	18%	0.176	C	C	.	.	H	α-helix	trans	-86.7	-15.5	179.2	71.6	0	0	0	0	114.1	I140 I144 L174 G180 K181 V183	I140-C178 HydrophobicContact CG2-CB 3.79Å; I144-C178 HydrophobicContact CD1-CB 4.4Å; L174-C178 PolarHBondContact O-N 3.41Å; L174-C178 PolarHBondContact O-SG 2.84Å; C178-G180 VanDerWaalsContact C-N 3.25Å; C178-G180 PolarHBondContact O-N 3.31Å; C178-G180 PolarHBondContact SG-N 3.32Å; C178-G180 VanDerWaalsContact SG-N 3.41Å; C178-K181 WeakPolarHBondContact O-CB 3.44Å; C178-K181 PolarHBondContact O-N 3.43Å; C178-V183 VanDerWaalsContact SG-CG2 3.58Å
179	K	91.6	Very high	93.8	Very high	128 Å²	128	30 Å²	30	56%	0.557	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	38	-174.4	-56.6	-56.8	-171.5	-167	0	113.1	M175 E176 K181	M175-K179 VanDerWaalsContact O-CA 3.23Å; M175-K179 WeakPolarHBondContact O-CA 3.23Å; M175-K179 PolarHBondContact O-N 3.21Å; E176-K179 VanDerWaalsContact O-CE 3.3Å; E176-K179 WeakPolarHBondContact O-CE 3.45Å; E176-K179 PolarHBondContact O-NZ 2.88Å; K179-K181 PolarHBondContact O-N 2.96Å
180	G	86.9	Confident	93.8	Very high	11 Å²	11	31 Å²	31	11%	0.113	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-0.6	179	0	0	0	0	0	115.3	C178	C178-G180 VanDerWaalsContact C-N 3.25Å; C178-G180 PolarHBondContact O-N 3.31Å; C178-G180 PolarHBondContact SG-N 3.32Å; C178-G180 VanDerWaalsContact SG-N 3.41Å
181	K	92.8	Very high	93.8	Very high	130 Å²	130	36 Å²	36	57%	0.565	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	139.5	-178.9	-61.9	-178	179.2	-175.7	0	111.9	I144 C178 K179 V183	I144-K181 HydrophobicContact CD1-CB 4.13Å; C178-K181 WeakPolarHBondContact O-CB 3.44Å; C178-K181 PolarHBondContact O-N 3.43Å; K179-K181 PolarHBondContact O-N 2.96Å; K181-V183 VanDerWaalsContact C-N 3.29Å; K181-V183 PolarHBondContact O-N 3.08Å
182	N	94.2	Very high	93.8	Very high	48 Å²	48	37 Å²	37	26%	0.257	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	47.4	175.5	-65.6	24.4	0	0	0	112.8	I144 V148 V149 F150	I144-N182 HydrophobicContact CG1-CB 4.1Å; I144-N182 PolarHBondContact O-ND2 3.11Å; V148-N182 PolarHBondContact O-ND2 3.05Å; V149-N182 CarbonylContact C-O 3.6Å; V149-N182 WeakPolarHBondContact CA-O 3.45Å; V149-N182 WeakPolarHBondContact CG1-O 3.44Å; V149-N182 HydrophobicContact CG2-CB 4.15Å; F150-N182 PolarHBondContact N-O 3.25Å
183	V	96.7	Very high	93.9	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.2	172.9	-177.2	0	0	0	0	109.5	F150 V152 L174 M175 C178 K181 A218	F150-V183 HydrophobicContact CB-CG2 4.49Å; F150-V183 CarbonylContact O-C 3.58Å; F150-V183 VanDerWaalsContact O-CA 3.27Å; F150-V183 WeakPolarHBondContact O-CA 3.33Å; V152-V183 HydrophobicContact CG2-CG1 4.32Å; L174-V183 HydrophobicContact CD2-CG2 4.34Å; M175-V183 HydrophobicContact CE-CB 4.44Å; M175-V183 HydrophobicContact CE-CG1 3.67Å; M175-V183 HydrophobicContact CE-CG2 4.3Å; M175-V183 HydrophobicContact SD-CG1 4.35Å; M175-V183 HydrophobicContact SD-CG2 3.91Å; C178-V183 VanDerWaalsContact SG-CG2 3.58Å; K181-V183 VanDerWaalsContact C-N 3.29Å; K181-V183 PolarHBondContact O-N 3.08Å; V183-A218 VanDerWaalsContact O-CA 3.27Å; V183-A218 WeakPolarHBondContact O-CA 3.41Å; V183-A218 VanDerWaalsContact O-CB 3.22Å; V183-A218 WeakPolarHBondContact O-CB 3.4Å
184	I	97.3	Very high	94	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	146.2	166.8	59.9	172.1	0	0	0	110.3	L7 I122 V149 F150 E151 V152 A218 T222 V226	L7-I184 HydrophobicContact CB-CD1 4.45Å; L7-I184 HydrophobicContact CD1-CD1 4.05Å; I122-I184 HydrophobicContact CD1-CD1 4.02Å; I122-I184 HydrophobicContact CG1-CD1 4.32Å; I122-I184 HydrophobicContact CG2-CD1 4.21Å; V149-I184 HydrophobicContact CG1-CB 4.13Å; V149-I184 HydrophobicContact CG1-CD1 4.33Å; V149-I184 HydrophobicContact CG1-CG1 3.84Å; V149-I184 HydrophobicContact CG1-CG2 3.54Å; F150-I184 PolarHBondContact O-N 3.3Å; E151-I184 WeakPolarHBondContact CA-O 3.4Å; E151-I184 HydrophobicContact CB-CD1 4.03Å; E151-I184 HydrophobicContact CB-CG1 3.75Å; E151-I184 HydrophobicContact CG-CD1 4.16Å; E151-I184 HydrophobicContact CG-CG1 4.02Å; V152-I184 PolarHBondContact N-O 3.46Å; I184-A218 WeakPolarHBondContact CA-O 3.42Å; I184-T222 HydrophobicContact CG2-CG2 3.7Å; I184-V226 HydrophobicContact CG2-CG2 4.41Å
185	V	96.4	Very high	94.1	Very high	4 Å²	4	42 Å²	42	2%	0.024	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.6	171.9	-178.1	0	0	0	0	108	V152 Y154 I201 F208 L210 A218 V219	V152-V185 WeakPolarHBondContact O-CA 3.44Å; Y154-V185 HydrophobicContact CD1-CG1 3.94Å; V185-I201 HydrophobicContact CB-CG2 3.96Å; V185-I201 HydrophobicContact CG1-CG2 3.51Å; V185-F208 HydrophobicContact CG1-CE2 4.12Å; V185-F208 HydrophobicContact CG2-CD2 4.35Å; V185-L210 HydrophobicContact CG2-CD1 4.14Å; V185-A218 HydrophobicContact CG2-CB 4.25Å; V185-A218 PolarHBondContact N-O 3.44Å; V185-V219 HydrophobicContact CB-CG1 4.48Å
186	S	96.2	Very high	94.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	164	-175.7	69.4	0	0	0	0	110.8	N8 E151 V152 S153 Y154	N8-S186 WeakPolarHBondContact CB-OG 3.42Å; E151-S186 WeakPolarHBondContact CG-OG 3.27Å; E151-S186 WeakPolarHBondContact OE1-CB 3.31Å; E151-S186 PolarHBondContact OE1-OG 3Å; V152-S186 PolarHBondContact O-N 3.13Å; V152-S186 VanDerWaalsContact O-N 3.12Å; S153-S186 VanDerWaalsContact CA-O 3.3Å; S153-S186 WeakPolarHBondContact CA-O 3.48Å; Y154-S186 WeakPolarHBondContact CD1-O 2.96Å; Y154-S186 WeakPolarHBondContact CE1-O 3.32Å; Y154-S186 PolarHBondContact N-O 3.37Å
187	S	95.1	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.201	C	C	.	.			trans	-76.6	-48.6	-177.4	66.2	0	0	0	0	112.9	D6 N8 Y154 A155 A189	D6-S187 PolarHBondContact OD1-N 3.41Å; D6-S187 VanDerWaalsContact OD1-N 3.13Å; D6-S187 WeakPolarHBondContact OD2-CB 3.43Å; D6-S187 PolarHBondContact OD2-OG 2.82Å; N8-S187 PolarHBondContact O-OG 3.01Å; N8-S187 VanDerWaalsContact O-OG 3.07Å; Y154-S187 VanDerWaalsContact CE1-CA 3.4Å; Y154-S187 VanDerWaalsContact OH-CB 3.29Å; Y154-S187 WeakPolarHBondContact OH-CB 3.44Å; A155-S187 WeakPolarHBondContact CA-O 3.42Å; A155-S187 WeakPolarHBondContact CB-O 3.34Å; A155-S187 PolarHBondContact N-O 3.01Å; S187-A189 PolarHBondContact O-N 2.9Å; S187-A189 WeakPolarHBondContact OG-CB 3.31Å; S187-A189 PolarHBondContact OG-N 3.2Å; S187-A189 VanDerWaalsContact OG-N 3.13Å
188	A	95.5	Very high	94.5	Very high	13 Å²	13	40.2 Å²	40.2	11%	0.107	20%	0.197	C	C	.	.			trans	53.1	33.2	-156.6	0	0	0	0	0	111.8	N8 R159 E190	N8-A188 WeakPolarHBondContact O-CA 3.39Å; N8-A188 PolarHBondContact O-N 2.95Å; R159-A188 PolarHBondContact NH2-O 2.85Å; A188-E190 PolarHBondContact O-N 2.88Å
189	A	94.5	Very high	94.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-67.8	132.1	-176.6	0	0	0	0	0	110.9	L10 L21 S187 E194 L195	L10-A189 PolarHBondContact N-O 3.3Å; L21-A189 HydrophobicContact CD2-CB 4.13Å; S187-A189 PolarHBondContact O-N 2.9Å; S187-A189 WeakPolarHBondContact OG-CB 3.31Å; S187-A189 PolarHBondContact OG-N 3.2Å; S187-A189 VanDerWaalsContact OG-N 3.13Å; A189-E194 HydrophobicContact CB-CB 3.97Å; A189-L195 HydrophobicContact CB-CD2 3.66Å; A189-L195 HydrophobicContact CB-CG 4.02Å
190	E	93.1	Very high	94.9	Very high	75 Å²	75	45.6 Å²	45.6	35%	0.35	22%	0.221	S	C	.	.	S	Bend	trans	-98.7	-23.4	166.5	-65.3	172.7	-149.9	0	0	111	L10 R17 R159 A188 E194	L10-E190 HydrophobicContact CB-CG 4.23Å; L10-E190 HydrophobicContact CD1-CG 3.49Å; L10-E190 VanDerWaalsContact CD1-CG 3.49Å; L10-E190 HydrophobicContact CG-CG 4.44Å; R17-E190 PolarHBondContact NE-O 3.03Å; R17-E190 VanDerWaalsContact NH2-CB 3.31Å; R17-E190 PolarHBondContact NH2-O 3.21Å; R17-E190 IonicContact NH2-OE2 3.62Å; R159-E190 IonicContact CZ-OE1 2.77Å; R159-E190 VanDerWaalsContact CZ-OE1 3.31Å; R159-E190 IonicContact NH1-OE1 3.51Å; R159-E190 PolarHBondContact NH1-OE1 2.97Å; R159-E190 IonicContact NH2-OE1 3.61Å; R159-E190 PolarHBondContact NH2-OE1 3.48Å; A188-E190 PolarHBondContact O-N 2.88Å; E190-E194 PolarHBondContact N-OE2 2.64Å
191	K	94	Very high	95.3	Very high	118 Å²	118	45.3 Å²	45.3	51%	0.513	22%	0.217	S	C	.	.	S	Bend	trans	-126.3	145.9	-177.1	-59.9	175.6	-174.6	173.8	0	109.8	L21 L193 E194	L21-K191 VanDerWaalsContact CD2-C 3.44Å; K191-L193 PolarHBondContact O-N 3.42Å; K191-L193 VanDerWaalsContact O-N 3.13Å; K191-E194 HydrophobicContact CB-CG 4.22Å; K191-E194 PolarHBondContact N-OE2 3.14Å; K191-E194 WeakPolarHBondContact O-CB 3.19Å; K191-E194 PolarHBondContact O-N 2.84Å
192	A	94.3	Very high	95.4	Very high	23 Å²	23	39.6 Å²	39.6	19%	0.19	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-52.2	-37.6	177.5	0	0	0	0	0	113.1	T24 E194 L195	T24-A192 HydrophobicContact CG2-CB 4.36Å; T24-A192 WeakPolarHBondContact OG1-CB 3.38Å; A192-E194 PolarHBondContact O-N 3.24Å; A192-L195 WeakPolarHBondContact O-CB 3.47Å; A192-L195 PolarHBondContact O-N 2.9Å; A192-L195 VanDerWaalsContact O-N 3.13Å
193	L	94.4	Very high	95.5	Very high	154 Å²	154	42.6 Å²	42.6	81%	0.806	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-68.8	-10.5	179.3	-62.8	176.6	0	0	0	114.8	K191 R196	K191-L193 PolarHBondContact O-N 3.42Å; K191-L193 VanDerWaalsContact O-N 3.13Å; L193-R196 PolarHBondContact O-NH1 3.49Å
194	E	95.6	Very high	95.4	Very high	19 Å²	19	44.7 Å²	44.7	9%	0.089	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-87.9	-14	175.2	-62.1	176.7	160.3	0	0	112	Y154 A155 R159 A189 E190 K191 A192	Y154-E194 VanDerWaalsContact CE2-O 3.3Å; Y154-E194 WeakPolarHBondContact CE2-O 3.27Å; Y154-E194 PolarHBondContact OH-O 3.01Å; A155-E194 HydrophobicContact CB-CB 4.46Å; R159-E194 IonicContact CZ-OE1 2.72Å; R159-E194 IonicContact CZ-OE2 3.89Å; R159-E194 IonicContact NE-OE1 3.12Å; R159-E194 PolarHBondContact NE-OE1 2.83Å; R159-E194 IonicContact NE-OE2 3.31Å; R159-E194 IonicContact NH2-OE1 2.66Å; R159-E194 PolarHBondContact NH2-OE1 2.89Å; R159-E194 IonicContact NH2-OE2 3.31Å; R159-E194 PolarHBondContact NH2-OE2 2.8Å; A189-E194 HydrophobicContact CB-CB 3.97Å; E190-E194 PolarHBondContact N-OE2 2.64Å; K191-E194 HydrophobicContact CB-CG 4.22Å; K191-E194 PolarHBondContact N-OE2 3.14Å; K191-E194 WeakPolarHBondContact O-CB 3.19Å; K191-E194 PolarHBondContact O-N 2.84Å; A192-E194 PolarHBondContact O-N 3.24Å
195	L	96.3	Very high	95.2	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.042	22%	0.22	C	C	.	.			trans	-71.4	145.7	174.9	-64.8	172.1	0	0	0	110.7	V9 L21 T24 A25 L28 A189 A192	V9-L195 HydrophobicContact CG2-CD2 4.44Å; L21-L195 HydrophobicContact CD2-CD1 3.98Å; L21-L195 HydrophobicContact CD2-CG 4.28Å; L21-L195 WeakPolarHBondContact O-CD1 2.85Å; T24-L195 HydrophobicContact CG2-CB 4.41Å; T24-L195 HydrophobicContact CG2-CD1 4.01Å; A25-L195 HydrophobicContact CB-CD1 4.14Å; L28-L195 HydrophobicContact CD1-CB 3.6Å; A189-L195 HydrophobicContact CB-CD2 3.66Å; A189-L195 HydrophobicContact CB-CG 4.02Å; A192-L195 WeakPolarHBondContact O-CB 3.47Å; A192-L195 PolarHBondContact O-N 2.9Å; A192-L195 VanDerWaalsContact O-N 3.13Å
196	R	96.6	Very high	95.1	Very high	91 Å²	91	47.7 Å²	47.7	34%	0.343	25%	0.245	S	C	.	.			trans	-128.3	151.8	177.1	-68.4	-65.3	177.7	-85.3	2.2	109.2	F30 Y154 L193 D200 I201	F30-R196 VanDerWaalsContact CE2-O 3.29Å; F30-R196 WeakPolarHBondContact CE2-O 3.38Å; F30-R196 WeakPolarHBondContact CZ-O 3.21Å; Y154-R196 HydrophobicContact CE2-CB 4.31Å; Y154-R196 HydrophobicContact CE2-CG 3.9Å; Y154-R196 PolarHBondContact OH-N 3.44Å; L193-R196 PolarHBondContact O-NH1 3.49Å; R196-D200 HydrophobicContact CB-CB 4.19Å; R196-I201 HydrophobicContact CB-CD1 4.44Å; R196-I201 HydrophobicContact CB-CG1 3.91Å
197	G	95.9	Very high	94.9	Very high	10 Å²	10	52.5 Å²	52.5	10%	0.103	27%	0.27	C	S	.	.			trans	-63	151.2	176.8	0	0	0	0	0	110.8	Y199 D200 I201	G197-Y199 PolarHBondContact O-N 2.92Å; G197-Y199 VanDerWaalsContact O-N 3.17Å; G197-D200 PolarHBondContact N-OD2 2.86Å; G197-D200 WeakPolarHBondContact O-CB 3.45Å; G197-D200 PolarHBondContact O-N 2.85Å; G197-I201 WeakPolarHBondContact O-CG1 3.45Å; G197-I201 PolarHBondContact O-N 3.26Å
198	P	95.2	Very high	94.9	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.032	27%	0.271	C	S	.	.	H	α-helix	trans	-53.5	-39.4	179.8	-26.9	33	0	0	0	113.5	F4 L28 F30 I201 I202	F4-P198 HydrophobicContact CB-CB 3.84Å; F4-P198 HydrophobicContact CB-CG 3.69Å; F4-P198 HydrophobicContact CD1-CB 3.73Å; F4-P198 HydrophobicContact CD1-CG 4.48Å; F4-P198 HydrophobicContact CD2-CB 3.68Å; F4-P198 HydrophobicContact CD2-CG 3.77Å; F4-P198 HydrophobicContact CE1-CB 4.15Å; F4-P198 HydrophobicContact CE2-CB 4.1Å; F4-P198 HydrophobicContact CG-CB 3.46Å; F4-P198 VanDerWaalsContact CG-CB 3.46Å; F4-P198 HydrophobicContact CG-CG 3.74Å; F4-P198 HydrophobicContact CZ-CB 4.31Å; L28-P198 VanDerWaalsContact O-CD 3.22Å; L28-P198 WeakPolarHBondContact O-CD 3.34Å; F30-P198 HydrophobicContact CD1-CG 4.22Å; F30-P198 HydrophobicContact CE1-CG 3.86Å; F30-P198 HydrophobicContact CE2-CG 4.38Å; F30-P198 HydrophobicContact CZ-CG 3.95Å; P198-I201 PolarHBondContact O-N 3.27Å; P198-I202 VanDerWaalsContact O-CG1 3.29Å; P198-I202 WeakPolarHBondContact O-CG1 3.1Å; P198-I202 PolarHBondContact O-N 2.87Å
199	Y	95.4	Very high	94.8	Very high	155 Å²	155	54.4 Å²	54.4	61%	0.608	29%	0.29	S	S	*	.	H	α-helix	trans	-70.3	-31.1	177.9	-64.8	-70.8	0	0	0	113.4	F4 G197 I201 I202 N203	F4-Y199 HydrophobicContact CE2-CE2 4.31Å; F4-Y199 HydrophobicContact CZ-CE1 4.18Å; G197-Y199 PolarHBondContact O-N 2.92Å; G197-Y199 VanDerWaalsContact O-N 3.17Å; Y199-I201 VanDerWaalsContact C-N 3.33Å; Y199-I202 HydrophobicContact CD1-CD1 4.02Å; Y199-I202 PolarHBondContact O-N 3.15Å; Y199-N203 PolarHBondContact O-N 3.2Å; Y199-N203 VanDerWaalsContact O-N 3.11Å; Y199-N203 PolarHBondContact O-ND2 2.64Å
200	D	95.7	Very high	94.8	Very high	90 Å²	90	54.9 Å²	54.9	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-68.9	-37.2	172.9	-61.2	-30.3	0	0	0	110.8	R196 G197 I202 N203 L204	R196-D200 HydrophobicContact CB-CB 4.19Å; G197-D200 PolarHBondContact N-OD2 2.86Å; G197-D200 WeakPolarHBondContact O-CB 3.45Å; G197-D200 PolarHBondContact O-N 2.85Å; D200-I202 VanDerWaalsContact C-N 3.33Å; D200-N203 PolarHBondContact O-N 3.32Å; D200-L204 PolarHBondContact O-N 2.95Å
201	I	96.2	Very high	94.9	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-37.8	175.7	-60.3	168.3	0	0	0	110.4	F30 Y154 V185 R196 G197 P198 Y199 N203 L204 G205 V219	F30-I201 HydrophobicContact CE1-CD1 4.28Å; F30-I201 HydrophobicContact CZ-CD1 3.69Å; Y154-I201 HydrophobicContact CD1-CG1 4.48Å; Y154-I201 HydrophobicContact CE1-CD1 3.69Å; Y154-I201 HydrophobicContact CE1-CG1 3.82Å; V185-I201 HydrophobicContact CB-CG2 3.96Å; V185-I201 HydrophobicContact CG1-CG2 3.51Å; R196-I201 HydrophobicContact CB-CD1 4.44Å; R196-I201 HydrophobicContact CB-CG1 3.91Å; G197-I201 WeakPolarHBondContact O-CG1 3.45Å; G197-I201 PolarHBondContact O-N 3.26Å; P198-I201 PolarHBondContact O-N 3.27Å; Y199-I201 VanDerWaalsContact C-N 3.33Å; I201-N203 VanDerWaalsContact C-N 3.34Å; I201-N203 PolarHBondContact O-N 3.28Å; I201-L204 WeakPolarHBondContact O-CB 3.31Å; I201-L204 PolarHBondContact O-N 2.88Å; I201-L204 VanDerWaalsContact O-N 3.15Å; I201-G205 PolarHBondContact O-N 3.48Å; I201-V219 HydrophobicContact CB-CG1 4.23Å; I201-V219 HydrophobicContact CG2-CG1 3.57Å
202	I	95.9	Very high	94.9	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.051	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-47.2	173.6	-68.7	168.2	0	0	0	110.3	F4 P198 Y199 D200 L204 G205 D212 S215 K216 V219	F4-I202 HydrophobicContact CE1-CD1 4.33Å; P198-I202 VanDerWaalsContact O-CG1 3.29Å; P198-I202 WeakPolarHBondContact O-CG1 3.1Å; P198-I202 PolarHBondContact O-N 2.87Å; Y199-I202 HydrophobicContact CD1-CD1 4.02Å; Y199-I202 PolarHBondContact O-N 3.15Å; D200-I202 VanDerWaalsContact C-N 3.33Å; I202-L204 VanDerWaalsContact C-N 3.29Å; I202-L204 PolarHBondContact O-N 3.48Å; I202-G205 PolarHBondContact O-N 2.91Å; I202-G205 VanDerWaalsContact O-N 3.08Å; I202-D212 WeakPolarHBondContact CG2-OD1 3.4Å; I202-S215 WeakPolarHBondContact O-CB 3.5Å; I202-K216 HydrophobicContact CD1-CB 3.94Å; I202-K216 HydrophobicContact CD1-CG 3.95Å; I202-K216 HydrophobicContact CG1-CB 4.31Å; I202-V219 HydrophobicContact CD1-CG2 4.19Å; I202-V219 HydrophobicContact CG1-CG2 3.91Å
203	N	95.8	Very high	94.9	Very high	110 Å²	110	55.4 Å²	55.4	59%	0.588	31%	0.313	S	S	*	.	H	α-helix	trans	-62.3	-36.7	175.5	-68.8	-35.9	0	0	0	112.3	Y199 D200 I201 G205 A206	Y199-N203 PolarHBondContact O-N 3.2Å; Y199-N203 VanDerWaalsContact O-N 3.11Å; Y199-N203 PolarHBondContact O-ND2 2.64Å; D200-N203 PolarHBondContact O-N 3.32Å; I201-N203 VanDerWaalsContact C-N 3.34Å; I201-N203 PolarHBondContact O-N 3.28Å; N203-G205 VanDerWaalsContact C-N 3.27Å; N203-G205 PolarHBondContact O-N 3.37Å; N203-A206 WeakPolarHBondContact O-CB 3.46Å; N203-A206 PolarHBondContact O-N 2.96Å
204	L	93.9	Very high	94.9	Very high	47 Å²	47	50.5 Å²	50.5	25%	0.246	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-32.6	174.9	-163.7	77.5	0	0	0	112.2	Y154 D200 I201 I202 A206 L207 F208	Y154-L204 VanDerWaalsContact CB-CD2 3.45Å; Y154-L204 HydrophobicContact CD1-CD2 4.43Å; Y154-L204 HydrophobicContact CD2-CD2 4.27Å; Y154-L204 HydrophobicContact CG-CD2 3.82Å; D200-L204 PolarHBondContact O-N 2.95Å; I201-L204 WeakPolarHBondContact O-CB 3.31Å; I201-L204 PolarHBondContact O-N 2.88Å; I201-L204 VanDerWaalsContact O-N 3.15Å; I202-L204 VanDerWaalsContact C-N 3.29Å; I202-L204 PolarHBondContact O-N 3.48Å; L204-A206 PolarHBondContact O-N 3.13Å; L204-L207 HydrophobicContact CD1-CD1 3.8Å; L204-L207 VanDerWaalsContact O-CB 3.31Å; L204-L207 WeakPolarHBondContact O-CB 3.41Å; L204-L207 PolarHBondContact O-N 3.43Å; L204-F208 HydrophobicContact CD2-CE2 3.82Å; L204-F208 HydrophobicContact CD2-CZ 3.73Å; L204-F208 HydrophobicContact CG-CE2 4.07Å; L204-F208 HydrophobicContact CG-CZ 4.01Å; L204-F208 PolarHBondContact O-N 2.98Å
205	G	93.8	Very high	94.9	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-55.5	-33.4	176.7	0	0	0	0	0	113.3	I201 I202 N203 L207 F208 G209 L210 S215	I201-G205 PolarHBondContact O-N 3.48Å; I202-G205 PolarHBondContact O-N 2.91Å; I202-G205 VanDerWaalsContact O-N 3.08Å; N203-G205 VanDerWaalsContact C-N 3.27Å; N203-G205 PolarHBondContact O-N 3.37Å; G205-L207 VanDerWaalsContact C-N 3.27Å; G205-L207 PolarHBondContact O-N 2.79Å; G205-F208 CarbonylContact O-C 3.55Å; G205-F208 WeakPolarHBondContact O-CA 3.42Å; G205-F208 WeakPolarHBondContact O-CB 3.41Å; G205-F208 PolarHBondContact O-N 2.86Å; G205-G209 PolarHBondContact O-N 3.02Å; G205-L210 WeakPolarHBondContact O-CB 3.29Å; G205-L210 PolarHBondContact O-N 3.21Å; G205-L210 VanDerWaalsContact O-N 3.08Å; G205-S215 WeakPolarHBondContact CA-OG 3.41Å
206	A	93.3	Very high	94.9	Very high	67 Å²	67	53.8 Å²	53.8	55%	0.554	30%	0.301	S	S	*	.	H	α-helix	trans	-60.7	-34.9	173.9	0	0	0	0	0	112.7	N203 L204 F208 G209	N203-A206 WeakPolarHBondContact O-CB 3.46Å; N203-A206 PolarHBondContact O-N 2.96Å; L204-A206 PolarHBondContact O-N 3.13Å; A206-F208 PolarHBondContact O-N 3.4Å; A206-G209 PolarHBondContact O-N 2.76Å
207	L	93.2	Very high	94.8	Very high	102 Å²	102	54.2 Å²	54.2	53%	0.534	31%	0.307	S	S	.	.	H	α-helix	trans	-69.4	-25.5	175.2	-57.9	-176.8	0	0	0	112.5	L204 G205 G209	L204-L207 HydrophobicContact CD1-CD1 3.8Å; L204-L207 VanDerWaalsContact O-CB 3.31Å; L204-L207 WeakPolarHBondContact O-CB 3.41Å; L204-L207 PolarHBondContact O-N 3.43Å; G205-L207 VanDerWaalsContact C-N 3.27Å; G205-L207 PolarHBondContact O-N 2.79Å; L207-G209 VanDerWaalsContact C-N 3.29Å
208	F	93.8	Very high	94.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.6	175.9	-59.4	-30.2	0	0	0	112.8	V152 T167 I168 A171 M175 V185 L204 G205 A206	V152-F208 HydrophobicContact CG1-CD2 4.32Å; V152-F208 HydrophobicContact CG1-CE2 4.18Å; V152-F208 HydrophobicContact CG1-CZ 4.4Å; T167-F208 HydrophobicContact CG2-CE1 4.1Å; T167-F208 HydrophobicContact CG2-CZ 4.29Å; I168-F208 HydrophobicContact CG1-CE1 4.27Å; A171-F208 HydrophobicContact CB-CB 3.85Å; A171-F208 HydrophobicContact CB-CD1 3.66Å; A171-F208 HydrophobicContact CB-CE1 4.41Å; A171-F208 HydrophobicContact CB-CG 3.84Å; M175-F208 HydrophobicContact CE-CB 4.31Å; M175-F208 WeakPolarHBondContact CG-O 3.36Å; V185-F208 HydrophobicContact CG1-CE2 4.12Å; V185-F208 HydrophobicContact CG2-CD2 4.35Å; L204-F208 HydrophobicContact CD2-CE2 3.82Å; L204-F208 HydrophobicContact CD2-CZ 3.73Å; L204-F208 HydrophobicContact CG-CE2 4.07Å; L204-F208 HydrophobicContact CG-CZ 4.01Å; L204-F208 PolarHBondContact O-N 2.98Å; G205-F208 CarbonylContact O-C 3.55Å; G205-F208 WeakPolarHBondContact O-CA 3.42Å; G205-F208 WeakPolarHBondContact O-CB 3.41Å; G205-F208 PolarHBondContact O-N 2.86Å; A206-F208 PolarHBondContact O-N 3.4Å
209	G	93.2	Very high	94.9	Very high	50 Å²	50	53.6 Å²	53.6	52%	0.515	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	16.6	-179.1	0	0	0	0	0	114.2	G205 A206 L207	G205-G209 PolarHBondContact O-N 3.02Å; A206-G209 PolarHBondContact O-N 2.76Å; L207-G209 VanDerWaalsContact C-N 3.29Å
210	L	94.8	Very high	94.9	Very high	10 Å²	10	47 Å²	47	5%	0.052	28%	0.278	C	S	.	.			trans	-82.5	149.8	170.2	-67.6	169.2	0	0	0	110.5	M175 V185 G205 D214 S215 A218	M175-L210 HydrophobicContact CE-CD1 4.21Å; M175-L210 HydrophobicContact CE-CD2 4.09Å; M175-L210 HydrophobicContact CE-CG 4.01Å; M175-L210 HydrophobicContact CG-CD2 4.31Å; M175-L210 HydrophobicContact CG-CG 4.38Å; M175-L210 HydrophobicContact SD-CD2 3.58Å; M175-L210 VanDerWaalsContact SD-CD2 3.58Å; M175-L210 HydrophobicContact SD-CG 4.03Å; V185-L210 HydrophobicContact CG2-CD1 4.14Å; G205-L210 WeakPolarHBondContact O-CB 3.29Å; G205-L210 PolarHBondContact O-N 3.21Å; G205-L210 VanDerWaalsContact O-N 3.08Å; L210-D214 HydrophobicContact CB-CB 4.38Å; L210-D214 HydrophobicContact CD2-CB 4Å; L210-S215 WeakPolarHBondContact CB-OG 3.46Å; L210-A218 HydrophobicContact CD1-CB 4.4Å
211	S	95.3	Very high	94.9	Very high	54 Å²	54	45.3 Å²	45.3	38%	0.378	27%	0.273	S	S	.	.			trans	-71.6	163.9	165.7	75	0	0	0	0	110.5	A213 D214 S215	S211-A213 VanDerWaalsContact C-N 3.25Å; S211-A213 PolarHBondContact O-N 3.18Å; S211-D214 WeakPolarHBondContact CB-OD2 3.42Å; S211-D214 PolarHBondContact O-N 2.86Å; S211-D214 PolarHBondContact OG-N 3.32Å; S211-D214 VanDerWaalsContact OG-N 3.1Å; S211-D214 PolarHBondContact OG-OD2 3.17Å; S211-S215 VanDerWaalsContact O-CB 3.24Å; S211-S215 WeakPolarHBondContact O-CB 3.49Å; S211-S215 PolarHBondContact O-N 2.89Å; S211-S215 PolarHBondContact O-OG 3.11Å
212	D	94.1	Very high	94.9	Very high	115 Å²	115	45.9 Å²	45.9	62%	0.615	28%	0.277	S	S	*	.	H	α-helix	trans	-59.6	-39	176	-176.2	54.9	0	0	0	111.8	I202 K216	I202-D212 WeakPolarHBondContact CG2-OD1 3.4Å; D212-K216 WeakPolarHBondContact O-CB 3.36Å; D212-K216 PolarHBondContact O-N 3.29Å
213	A	94.4	Very high	95	Very high	58 Å²	58	45.5 Å²	45.5	48%	0.479	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-54.1	174.8	0	0	0	0	0	111.3	S211 S215 K216 E217	S211-A213 VanDerWaalsContact C-N 3.25Å; S211-A213 PolarHBondContact O-N 3.18Å; A213-S215 VanDerWaalsContact C-N 3.28Å; A213-S215 PolarHBondContact O-N 3.28Å; A213-K216 WeakPolarHBondContact O-CB 3.28Å; A213-K216 PolarHBondContact O-N 2.93Å; A213-E217 WeakPolarHBondContact O-CG 3.42Å; A213-E217 PolarHBondContact O-N 3.13Å
214	D	95.3	Very high	95	Very high	52 Å²	52	48 Å²	48	28%	0.278	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-36.3	-179.3	-55.6	-39.1	0	0	0	111.6	L210 S211 K216 E217 A218	L210-D214 HydrophobicContact CB-CB 4.38Å; L210-D214 HydrophobicContact CD2-CB 4Å; S211-D214 WeakPolarHBondContact CB-OD2 3.42Å; S211-D214 PolarHBondContact O-N 2.86Å; S211-D214 PolarHBondContact OG-N 3.32Å; S211-D214 VanDerWaalsContact OG-N 3.1Å; S211-D214 PolarHBondContact OG-OD2 3.17Å; D214-K216 VanDerWaalsContact C-N 3.34Å; D214-K216 PolarHBondContact O-N 3.28Å; D214-E217 PolarHBondContact O-N 2.9Å; D214-A218 VanDerWaalsContact O-CB 3.29Å; D214-A218 WeakPolarHBondContact O-CB 2.94Å; D214-A218 PolarHBondContact O-N 3.36Å
215	S	95.5	Very high	95.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-40.8	177.1	-60.1	0	0	0	0	111.7	I202 G205 L210 S211 A213 A218	I202-S215 WeakPolarHBondContact O-CB 3.5Å; G205-S215 WeakPolarHBondContact CA-OG 3.41Å; L210-S215 WeakPolarHBondContact CB-OG 3.46Å; S211-S215 VanDerWaalsContact O-CB 3.24Å; S211-S215 WeakPolarHBondContact O-CB 3.49Å; S211-S215 PolarHBondContact O-N 2.89Å; S211-S215 PolarHBondContact O-OG 3.11Å; A213-S215 VanDerWaalsContact C-N 3.28Å; A213-S215 PolarHBondContact O-N 3.28Å; S215-A218 PolarHBondContact O-N 2.9Å
216	K	95.8	Very high	95.2	Very high	93 Å²	93	48.1 Å²	48.1	40%	0.404	28%	0.284	S	S	.	.	H	α-helix	trans	-67.4	-39	173.9	-176.2	179.5	-179.2	179.8	0	112.2	I202 D212 A213 D214 V219 S220	I202-K216 HydrophobicContact CD1-CB 3.94Å; I202-K216 HydrophobicContact CD1-CG 3.95Å; I202-K216 HydrophobicContact CG1-CB 4.31Å; D212-K216 WeakPolarHBondContact O-CB 3.36Å; D212-K216 PolarHBondContact O-N 3.29Å; A213-K216 WeakPolarHBondContact O-CB 3.28Å; A213-K216 PolarHBondContact O-N 2.93Å; D214-K216 VanDerWaalsContact C-N 3.34Å; D214-K216 PolarHBondContact O-N 3.28Å; K216-V219 WeakPolarHBondContact O-CG2 3.48Å; K216-S220 WeakPolarHBondContact O-CB 3.44Å; K216-S220 PolarHBondContact O-N 3.25Å
217	E	95.4	Very high	95.3	Very high	100 Å²	100	46 Å²	46	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-65.8	-39.9	175.9	-68.8	-164.9	167	0	0	111.9	A213 D214 V219 S220 S221 T222	A213-E217 WeakPolarHBondContact O-CG 3.42Å; A213-E217 PolarHBondContact O-N 3.13Å; D214-E217 PolarHBondContact O-N 2.9Å; E217-V219 PolarHBondContact O-N 2.82Å; E217-V219 VanDerWaalsContact O-N 3.13Å; E217-S220 CarbonylContact O-C 3.55Å; E217-S220 PolarHBondContact O-N 3.3Å; E217-S221 WeakPolarHBondContact CA-OG 3.4Å; E217-S221 VanDerWaalsContact CB-OG 3.25Å; E217-S221 WeakPolarHBondContact CB-OG 3.47Å; E217-S221 VanDerWaalsContact CG-OG 3.29Å; E217-S221 WeakPolarHBondContact CG-OG 3.35Å; E217-S221 PolarHBondContact O-N 3.15Å; E217-T222 WeakPolarHBondContact O-CB 3.32Å; E217-T222 PolarHBondContact O-N 3.21Å; E217-T222 PolarHBondContact O-OG1 3.43Å
218	A	96.4	Very high	95.3	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-23.5	179.8	0	0	0	0	0	114.3	V183 I184 V185 L210 D214 S215 C223	V183-A218 VanDerWaalsContact O-CA 3.27Å; V183-A218 WeakPolarHBondContact O-CA 3.41Å; V183-A218 VanDerWaalsContact O-CB 3.22Å; V183-A218 WeakPolarHBondContact O-CB 3.4Å; I184-A218 WeakPolarHBondContact CA-O 3.42Å; V185-A218 HydrophobicContact CG2-CB 4.25Å; V185-A218 PolarHBondContact N-O 3.44Å; L210-A218 HydrophobicContact CD1-CB 4.4Å; D214-A218 VanDerWaalsContact O-CB 3.29Å; D214-A218 WeakPolarHBondContact O-CB 2.94Å; D214-A218 PolarHBondContact O-N 3.36Å; S215-A218 PolarHBondContact O-N 2.9Å; A218-C223 PolarHBondContact O-SG 3.45Å
219	V	96.1	Very high	95.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-2.3	175.6	-62.9	0	0	0	0	113.4	F4 M5 V185 I201 I202 K216 E217	F4-V219 WeakPolarHBondContact CA-O 3.33Å; F4-V219 HydrophobicContact CD1-CG2 3.82Å; F4-V219 HydrophobicContact CE1-CG2 4.1Å; M5-V219 PolarHBondContact N-O 3.2Å; V185-V219 HydrophobicContact CB-CG1 4.48Å; I201-V219 HydrophobicContact CB-CG1 4.23Å; I201-V219 HydrophobicContact CG2-CG1 3.57Å; I202-V219 HydrophobicContact CD1-CG2 4.19Å; I202-V219 HydrophobicContact CG1-CG2 3.91Å; K216-V219 WeakPolarHBondContact O-CG2 3.48Å; E217-V219 PolarHBondContact O-N 2.82Å; E217-V219 VanDerWaalsContact O-N 3.13Å
220	S	95.8	Very high	95.3	Very high	16 Å²	16	45.1 Å²	45.1	11%	0.112	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-87.3	-173.3	-165.4	0	0	0	0	113.6	V3 K216 E217 C223 R224	V3-S220 WeakPolarHBondContact O-CA 3.26Å; V3-S220 WeakPolarHBondContact O-CB 3.36Å; V3-S220 PolarHBondContact O-OG 2.99Å; K216-S220 WeakPolarHBondContact O-CB 3.44Å; K216-S220 PolarHBondContact O-N 3.25Å; E217-S220 CarbonylContact O-C 3.55Å; E217-S220 PolarHBondContact O-N 3.3Å; S220-C223 PolarHBondContact O-N 3.23Å; S220-R224 PolarHBondContact O-N 3.05Å
221	S	95.6	Very high	95.2	Very high	54 Å²	54	49.6 Å²	49.6	38%	0.378	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-41.4	-173.5	45.2	0	0	0	0	112.2	E217 R224 A225	E217-S221 WeakPolarHBondContact CA-OG 3.4Å; E217-S221 VanDerWaalsContact CB-OG 3.25Å; E217-S221 WeakPolarHBondContact CB-OG 3.47Å; E217-S221 VanDerWaalsContact CG-OG 3.29Å; E217-S221 WeakPolarHBondContact CG-OG 3.35Å; E217-S221 PolarHBondContact O-N 3.15Å; S221-R224 WeakPolarHBondContact O-CB 3.5Å; S221-R224 PolarHBondContact O-N 3.18Å; S221-R224 VanDerWaalsContact O-N 3.17Å; S221-A225 PolarHBondContact O-N 3.37Å
222	T	96.5	Very high	94.9	Very high	18 Å²	18	50.2 Å²	50.2	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-42.7	178.1	-49.6	0	0	0	0	110.7	V149 I184 E217 R224 A225 V226	V149-T222 HydrophobicContact CG1-CG2 3.9Å; V149-T222 HydrophobicContact CG2-CG2 4.11Å; I184-T222 HydrophobicContact CG2-CG2 3.7Å; E217-T222 WeakPolarHBondContact O-CB 3.32Å; E217-T222 PolarHBondContact O-N 3.21Å; E217-T222 PolarHBondContact O-OG1 3.43Å; T222-R224 VanDerWaalsContact C-N 3.28Å; T222-R224 PolarHBondContact O-N 2.68Å; T222-A225 WeakPolarHBondContact O-CB 3.01Å; T222-A225 PolarHBondContact O-N 3.25Å; T222-A225 VanDerWaalsContact O-N 3.08Å; T222-V226 WeakPolarHBondContact O-CG2 3.32Å; T222-V226 PolarHBondContact O-N 3.3Å
223	C	96.8	Very high	94.6	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	25%	0.251	C	S	.	.	H	α-helix	trans	-57.8	-41.3	172.5	-68	0	0	0	0	111.9	M5 L7 A218 S220 A225 V226 L227	M5-C223 HydrophobicContact CB-CB 3.85Å; M5-C223 HydrophobicContact CG-CB 4.15Å; M5-C223 HydrophobicContact SD-CB 3.78Å; L7-C223 HydrophobicContact CD1-CB 4.02Å; L7-C223 HydrophobicContact CG-CB 4.4Å; A218-C223 PolarHBondContact O-SG 3.45Å; S220-C223 PolarHBondContact O-N 3.23Å; C223-A225 VanDerWaalsContact C-N 3.35Å; C223-V226 WeakPolarHBondContact O-CB 3.27Å; C223-V226 PolarHBondContact O-N 3.25Å; C223-L227 WeakPolarHBondContact O-CG 3.2Å; C223-L227 PolarHBondContact O-N 3.46Å; C223-L227 VanDerWaalsContact O-N 3.12Å
224	R	96	Very high	94	Very high	162 Å²	162	49.3 Å²	49.3	61%	0.611	25%	0.246	S	C	*	.	H	α-helix	trans	-63.7	-40	175.2	-177.3	-177.6	175.7	-165.5	-2.3	111.9	M5 S220 S221 T222 V226 L227 L228	M5-R224 HydrophobicContact CE-CB 4.1Å; S220-R224 PolarHBondContact O-N 3.05Å; S221-R224 WeakPolarHBondContact O-CB 3.5Å; S221-R224 PolarHBondContact O-N 3.18Å; S221-R224 VanDerWaalsContact O-N 3.17Å; T222-R224 VanDerWaalsContact C-N 3.28Å; T222-R224 PolarHBondContact O-N 2.68Å; R224-V226 VanDerWaalsContact C-N 3.31Å; R224-V226 PolarHBondContact O-N 3.41Å; R224-L227 PolarHBondContact O-N 3.03Å; R224-L228 HydrophobicContact CG-CD1 4.44Å; R224-L228 WeakPolarHBondContact O-CG 3.37Å; R224-L228 PolarHBondContact O-N 2.83Å; R224-L228 VanDerWaalsContact O-N 3.11Å
225	A	95.4	Very high	93.2	Very high	52 Å²	52	48.8 Å²	48.8	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-40.4	175.8	0	0	0	0	0	111.4	S221 T222 C223 L227 L228 H229	S221-A225 PolarHBondContact O-N 3.37Å; T222-A225 WeakPolarHBondContact O-CB 3.01Å; T222-A225 PolarHBondContact O-N 3.25Å; T222-A225 VanDerWaalsContact O-N 3.08Å; C223-A225 VanDerWaalsContact C-N 3.35Å; A225-L227 PolarHBondContact O-N 3.16Å; A225-L228 PolarHBondContact O-N 3.43Å; A225-H229 WeakPolarHBondContact O-CB 3.41Å; A225-H229 PolarHBondContact O-N 3.45Å
226	V	96.8	Very high	92.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-45.1	173.9	175	0	0	0	0	111.8	L7 L100 D121 I122 V149 I184 T222 C223 R224 L228 H229 A230	L7-V226 HydrophobicContact CD1-CB 4.14Å; L7-V226 HydrophobicContact CD1-CG1 4Å; L100-V226 HydrophobicContact CD2-CG1 3.94Å; D121-V226 HydrophobicContact CB-CG1 4.24Å; I122-V226 HydrophobicContact CD1-CG1 3.85Å; I122-V226 HydrophobicContact CG1-CG1 3.68Å; V149-V226 HydrophobicContact CB-CG2 3.6Å; V149-V226 HydrophobicContact CG1-CG2 3.82Å; V149-V226 HydrophobicContact CG2-CG2 3.44Å; V149-V226 VanDerWaalsContact CG2-CG2 3.44Å; I184-V226 HydrophobicContact CG2-CG2 4.41Å; T222-V226 WeakPolarHBondContact O-CG2 3.32Å; T222-V226 PolarHBondContact O-N 3.3Å; C223-V226 WeakPolarHBondContact O-CB 3.27Å; C223-V226 PolarHBondContact O-N 3.25Å; R224-V226 VanDerWaalsContact C-N 3.31Å; R224-V226 PolarHBondContact O-N 3.41Å; V226-L228 VanDerWaalsContact C-N 3.32Å; V226-L228 PolarHBondContact O-N 3.3Å; V226-H229 PolarHBondContact O-N 2.91Å; V226-A230 WeakPolarHBondContact O-CB 3.45Å; V226-A230 PolarHBondContact O-N 2.95Å
227	L	95.6	Very high	90.7	Very high	22 Å²	22	53.4 Å²	53.4	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-42.4	178.1	-62.3	-169.5	0	0	0	111.8	M5 L7 T32 L75 L100 C223 R224 A225 A230 E231	M5-L227 HydrophobicContact CE-CD1 4.06Å; M5-L227 HydrophobicContact SD-CD1 3.62Å; M5-L227 HydrophobicContact SD-CG 4.23Å; L7-L227 HydrophobicContact CD2-CD2 4.08Å; T32-L227 HydrophobicContact CG2-CD1 4.34Å; L75-L227 HydrophobicContact CD1-CD1 4.18Å; L75-L227 HydrophobicContact CD1-CD2 3.37Å; L75-L227 HydrophobicContact CD1-CG 4.42Å; L100-L227 HydrophobicContact CD1-CD2 4.06Å; L100-L227 HydrophobicContact CD2-CD2 3.93Å; L100-L227 HydrophobicContact CG-CD2 4.36Å; C223-L227 WeakPolarHBondContact O-CG 3.2Å; C223-L227 PolarHBondContact O-N 3.46Å; C223-L227 VanDerWaalsContact O-N 3.12Å; R224-L227 PolarHBondContact O-N 3.03Å; A225-L227 PolarHBondContact O-N 3.16Å; L227-A230 PolarHBondContact O-N 3.44Å; L227-E231 WeakPolarHBondContact O-CG 3.26Å; L227-E231 PolarHBondContact O-N 3.08Å
228	L	93.8	Very high	89.3	Confident	87 Å²	87	51.8 Å²	51.8	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-66.5	-43.4	177.8	-69.4	172.2	0	0	0	111.5	R224 A225 V226 A230 E231 T232	R224-L228 HydrophobicContact CG-CD1 4.44Å; R224-L228 WeakPolarHBondContact O-CG 3.37Å; R224-L228 PolarHBondContact O-N 2.83Å; R224-L228 VanDerWaalsContact O-N 3.11Å; A225-L228 PolarHBondContact O-N 3.43Å; V226-L228 VanDerWaalsContact C-N 3.32Å; V226-L228 PolarHBondContact O-N 3.3Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 PolarHBondContact O-N 3.29Å; L228-E231 PolarHBondContact O-N 2.82Å; L228-T232 WeakPolarHBondContact O-CG2 3.41Å; L228-T232 PolarHBondContact O-N 2.9Å
229	H	93.8	Very high	88.3	Confident	46 Å²	46	57.7 Å²	57.7	21%	0.213	33%	0.333	C	S	.	.	H	α-helix	trans	-56.2	-45.4	174.4	-177.2	-91.1	0	0	0	111	V120 D121 R146 A225 V226 E231 T232 R233	V120-H229 PolarHBondContact O-CE1 3.43Å; D121-H229 IonicContact OD1-CE1 3.32Å; D121-H229 IonicContact OD1-ND1 2.85Å; D121-H229 PolarHBondContact OD1-ND1 3.44Å; R146-H229 PolarHBondContact O-NE2 3.28Å; A225-H229 WeakPolarHBondContact O-CB 3.41Å; A225-H229 PolarHBondContact O-N 3.45Å; V226-H229 PolarHBondContact O-N 2.91Å; H229-E231 PolarHBondContact O-N 2.87Å; H229-T232 PolarHBondContact O-N 3.01Å; H229-T232 VanDerWaalsContact O-N 3.11Å; H229-T232 PolarHBondContact O-OG1 3.4Å; H229-R233 PolarHBondContact O-N 3.31Å
230	A	93.3	Very high	87.3	Confident	3 Å²	3	62.5 Å²	62.5	3%	0.025	36%	0.363	C	S	.	.	H	α-helix	trans	-66.8	-35.6	179.1	0	0	0	0	0	113.6	D99 L100 D121 V226 L227 L228 T232 R233 K234	D99-A230 VanDerWaalsContact O-CB 3.27Å; D99-A230 WeakPolarHBondContact O-CB 3.19Å; L100-A230 HydrophobicContact CD2-CB 3.5Å; D121-A230 HydrophobicContact CB-CB 4.4Å; D121-A230 VanDerWaalsContact OD1-CA 3.31Å; D121-A230 WeakPolarHBondContact OD1-CA 3.42Å; D121-A230 WeakPolarHBondContact OD2-CB 3.45Å; V226-A230 WeakPolarHBondContact O-CB 3.45Å; V226-A230 PolarHBondContact O-N 2.95Å; L227-A230 PolarHBondContact O-N 3.44Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 PolarHBondContact O-N 3.29Å; A230-T232 VanDerWaalsContact C-N 3.32Å; A230-T232 PolarHBondContact O-N 3.3Å; A230-R233 WeakPolarHBondContact O-CB 3.24Å; A230-R233 PolarHBondContact O-N 3.46Å; A230-K234 PolarHBondContact O-N 3.32Å; A230-K234 VanDerWaalsContact O-N 3.11Å
231	E	91	Very high	86.2	Confident	104 Å²	104	71.3 Å²	71.3	49%	0.486	40%	0.395	S	S	.	.	H	α-helix	trans	-62.1	-39.1	171	-74.8	177	-177.3	0	0	111.5	L227 L228 H229 R233 K234 T235	L227-E231 WeakPolarHBondContact O-CG 3.26Å; L227-E231 PolarHBondContact O-N 3.08Å; L228-E231 PolarHBondContact O-N 2.82Å; H229-E231 PolarHBondContact O-N 2.87Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 3.22Å; E231-K234 PolarHBondContact O-N 2.94Å; E231-T235 WeakPolarHBondContact O-CG2 3.42Å; E231-T235 PolarHBondContact O-N 2.83Å; E231-T235 VanDerWaalsContact O-N 3.08Å; E231-T235 PolarHBondContact O-OG1 3.14Å
232	T	89.3	Confident	85.4	Confident	66 Å²	66	73.6 Å²	73.6	41%	0.405	41%	0.407	S	S	.	.	H	α-helix	trans	-67.9	-29.1	175.2	66.6	0	0	0	0	113.4	L228 H229 A230 T235	L228-T232 WeakPolarHBondContact O-CG2 3.41Å; L228-T232 PolarHBondContact O-N 2.9Å; H229-T232 PolarHBondContact O-N 3.01Å; H229-T232 VanDerWaalsContact O-N 3.11Å; H229-T232 PolarHBondContact O-OG1 3.4Å; A230-T232 VanDerWaalsContact C-N 3.32Å; A230-T232 PolarHBondContact O-N 3.3Å; T232-T235 WeakPolarHBondContact CA-OG1 3.26Å; T232-T235 CarbonylContact O-C 3.6Å; T232-T235 PolarHBondContact O-OG1 3.19Å
233	R	87.5	Confident	84.6	Confident	66 Å²	66	82.8 Å²	82.8	25%	0.249	44%	0.44	C	S	.	.	H	α-helix	trans	-70.5	-36.1	173.2	179.8	176.8	60.6	79.6	3.8	112.4	D99 D121 H229 A230 E231 T235	D99-R233 PolarHBondContact O-NH2 3.22Å; D121-R233 IonicContact OD1-NE 3.34Å; D121-R233 PolarHBondContact OD1-NE 3Å; D121-R233 IonicContact OD2-CZ 3.03Å; D121-R233 IonicContact OD2-NE 3.69Å; D121-R233 PolarHBondContact OD2-NE 3.13Å; D121-R233 IonicContact OD2-NH2 3.42Å; D121-R233 PolarHBondContact OD2-NH2 3.37Å; H229-R233 PolarHBondContact O-N 3.31Å; A230-R233 WeakPolarHBondContact O-CB 3.24Å; A230-R233 PolarHBondContact O-N 3.46Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 3.22Å; R233-T235 VanDerWaalsContact C-N 3.34Å
234	K	81.9	Confident	83.7	Confident	89 Å²	89	90 Å²	90	39%	0.387	48%	0.476	S	S	.	.	H	α-helix	trans	-73.2	-29.4	176.4	-74.9	-171.4	171.1	-167.8	0	112.8	F98 D99 A230 E231	F98-K234 WeakPolarHBondContact O-CE 3.3Å; F98-K234 PolarHBondContact O-NZ 3.23Å; D99-K234 VanDerWaalsContact CA-NZ 3.33Å; D99-K234 IonicContact OD1-NZ 2.64Å; D99-K234 PolarHBondContact OD1-NZ 3.35Å; A230-K234 PolarHBondContact O-N 3.32Å; A230-K234 VanDerWaalsContact O-N 3.11Å; E231-K234 PolarHBondContact O-N 2.94Å
235	T	79.6	Confident	82.1	Confident	41 Å²	41	86.3 Å²	86.3	25%	0.252	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	170.3	-178.8	56.9	0	0	0	0	110.7	E231 T232 R233 S237 I239 V240	E231-T235 WeakPolarHBondContact O-CG2 3.42Å; E231-T235 PolarHBondContact O-N 2.83Å; E231-T235 VanDerWaalsContact O-N 3.08Å; E231-T235 PolarHBondContact O-OG1 3.14Å; T232-T235 WeakPolarHBondContact CA-OG1 3.26Å; T232-T235 CarbonylContact O-C 3.6Å; T232-T235 PolarHBondContact O-OG1 3.19Å; R233-T235 VanDerWaalsContact C-N 3.34Å; T235-S237 PolarHBondContact O-N 3.48Å; T235-I239 WeakPolarHBondContact CB-O 3.49Å; T235-V240 HydrophobicContact CG2-CG1 4.39Å; T235-V240 HydrophobicContact CG2-CG2 4.28Å
236	A	72.2	Confident	80.2	Confident	79 Å²	79	92.1 Å²	92.1	65%	0.653	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	57	179.7	0	0	0	0	0	111.4	G238	A236-G238 PolarHBondContact O-N 3.35Å
237	S	66.6	Low	78	Confident	112 Å²	112	100.5 Å²	100.5	78%	0.783	53%	0.533	S	S	*	.	S	Bend	trans	49	28.2	174.5	-52.6	0	0	0	0	116.3	T235	T235-S237 PolarHBondContact O-N 3.48Å
238	G	65.1	Low	75.3	Confident	66 Å²	66	106.3 Å²	106.3	68%	0.68	56%	0.564	S	S	*	*	S	Bend	trans	160.5	-15.4	-179	0	0	0	0	0	115.7	A236	A236-G238 PolarHBondContact O-N 3.35Å
239	I	75.2	Confident	72.7	Confident	126 Å²	126	108.2 Å²	108.2	65%	0.646	58%	0.58	S	S	*	*			trans	-113.5	112	178.8	-55.2	175.1	0	0	0	110.3	T235	T235-I239 WeakPolarHBondContact CB-O 3.49Å
240	V	75.5	Confident	70.1	Confident	103 Å²	103	114 Å²	114	62%	0.624	61%	0.611	S	S	*	*			trans	-95	108.2	173.3	-171	0	0	0	0	109	T235 T242	T235-V240 HydrophobicContact CG2-CG1 4.39Å; T235-V240 HydrophobicContact CG2-CG2 4.28Å; V240-T242 HydrophobicContact CG1-CG2 3.9Å
241	Y	73.1	Confident	67.4	Low	201 Å²	201	122.6 Å²	122.6	79%	0.788	65%	0.651	S	S	*	*			trans	-91.6	105.9	173.7	-177.9	-98.8	0	0	0	110
242	T	79.1	Confident	64.7	Low	102 Å²	102	125 Å²	125	63%	0.626	67%	0.667	S	S	*	*			trans	-109.8	126.3	173.4	57.6	0	0	0	0	110.4	V240	V240-T242 HydrophobicContact CG1-CG2 3.9Å
243	R	79.8	Confident	61.9	Low	211 Å²	211	128 Å²	128	80%	0.796	69%	0.69	S	S	*	*			trans	-91.7	112.6	168.7	-172.1	178.9	-177.1	177.6	0.5	108.8	S245	R243-S245 PolarHBondContact O-N 2.74Å
244	I	77.6	Confident	59.4	Low	151 Å²	151	131.9 Å²	131.9	77%	0.774	72%	0.72	S	S	*	*			trans	-79.7	100.9	169.7	-57.2	173.5	0	0	0	106.9
245	S	61.3	Low	57.3	Low	86 Å²	86	131.4 Å²	131.4	60%	0.601	74%	0.74	S	S	*	*			trans	-87.4	109.5	165.4	45.6	0	0	0	0	108.2	R243 Q247	R243-S245 PolarHBondContact O-N 2.74Å; S245-Q247 PolarHBondContact O-N 2.93Å
246	Q	56.1	Low	55	Low	174 Å²	174	135 Å²	135	81%	0.813	77%	0.767	S	S	*	*			trans	-63.8	104.6	163.8	-72.5	179.7	-18.2	0	0	106.8	D248	Q246-D248 PolarHBondContact O-N 3.16Å
247	Q	50.1	Low	53.7	Low	176 Å²	176	140.8 Å²	140.8	82%	0.822	78%	0.781	S	S	*	*			trans	-77.8	107.2	162	-82.9	179.6	-25.5	0	0	105.9	S245 T249	S245-Q247 PolarHBondContact O-N 2.93Å; Q247-T249 PolarHBondContact O-N 3.45Å; Q247-T249 VanDerWaalsContact O-N 3.13Å
248	D	40.3	Very low	52.3	Low	144 Å²	144	139.5 Å²	139.5	77%	0.77	78%	0.777	S	S	*	*			trans	-53.6	119.1	165.7	-75.8	-33.6	0	0	0	107.4	Q246 L250	Q246-D248 PolarHBondContact O-N 3.16Å; D248-L250 PolarHBondContact O-N 3.12Å
249	T	38.4	Very low	51	Low	127 Å²	127	142.4 Å²	142.4	78%	0.779	78%	0.784	S	S	*	*			trans	-57.3	104.4	171.2	42.5	0	0	0	0	107.9	Q247 Q251	Q247-T249 PolarHBondContact O-N 3.45Å; Q247-T249 VanDerWaalsContact O-N 3.13Å; T249-Q251 PolarHBondContact O-N 2.69Å
250	L	38.7	Very low	49.5	Very low	167 Å²	167	141.8 Å²	141.8	87%	0.874	80%	0.797	S	S	*	*			trans	-56.8	102.2	166.1	-79.2	157.7	0	0	0	107.6	D248 D252	D248-L250 PolarHBondContact O-N 3.12Å; L250-D252 VanDerWaalsContact C-N 3.29Å; L250-D252 PolarHBondContact O-N 3.11Å; L250-D252 VanDerWaalsContact O-N 3.11Å
251	Q	37	Very low	48.1	Very low	184 Å²	184	140.8 Å²	140.8	86%	0.86	80%	0.8	S	S	*	*			trans	-83.8	75.2	180	-139.1	174.6	18.6	0	0	108.1	T249	T249-Q251 PolarHBondContact O-N 2.69Å
252	D	35	Very low	46.8	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	81%	0.806	S	S	*	*			trans	-124.2	82	168.3	-94.4	-27.3	0	0	0	109.2	L250	L250-D252 VanDerWaalsContact C-N 3.29Å; L250-D252 PolarHBondContact O-N 3.11Å; L250-D252 VanDerWaalsContact O-N 3.11Å
253	C	30.1	Very low	45.2	Very low	131 Å²	131	148 Å²	148	89%	0.885	82%	0.82	S	S	*	*			trans	-145.5	100	159.4	-76	0	0	0	0	108.3
254	V	34.7	Very low	43.6	Very low	146 Å²	146	143.8 Å²	143.8	89%	0.885	82%	0.82	S	S	*	*			trans	-26.8	128.9	166.5	-179.3	0	0	0	0	114.8
255	G	37.8	Very low	41.8	Very low	79 Å²	79	146.2 Å²	146.2	81%	0.814	83%	0.825	S	S	*	*			trans	28.1	94.6	148.4	0	0	0	0	0	118.9
256	S	32.2	Very low	41.2	Very low	116 Å²	116	148.3 Å²	148.3	81%	0.811	84%	0.837	S	S	*	*			trans	-124.5	109.3	153.1	-173.1	0	0	0	0	107.9	A258	S256-A258 PolarHBondContact O-N 3.02Å
257	E	45.3	Very low	40.9	Very low	201 Å²	201	150.2 Å²	150.2	94%	0.939	86%	0.86	S	S	*	*			trans	-58.8	114.6	169.7	-76.6	-177.7	137	0	0	109.4
258	A	37.2	Very low	40.5	Very low	86 Å²	86	148.9 Å²	148.9	71%	0.711	86%	0.862	S	S	*	*			trans	-107.5	151.7	166.1	0	0	0	0	0	110	S256	S256-A258 PolarHBondContact O-N 3.02Å
259	P	37.3	Very low	40.5	Very low	126 Å²	126	149.2 Å²	149.2	82%	0.818	87%	0.867	S	S	*	*			trans	-73.3	150.8	-156	-13	27.8	0	0	0	114.1	A261	P259-A261 VanDerWaalsContact C-N 3.31Å; P259-A261 PolarHBondContact O-N 3.22Å
260	A	42.5	Very low	40.6	Very low	113 Å²	113	150.4 Å²	150.4	93%	0.934	87%	0.872	S	S	*	*	S	Bend	trans	-70	76.4	178.1	0	0	0	0	0	112.7
261	A	46.8	Very low	40.7	Very low	82 Å²	82	149.4 Å²	149.4	68%	0.678	87%	0.872	S	S	*	*			trans	-146.4	97.9	164.9	0	0	0	0	0	109.7	P259	P259-A261 VanDerWaalsContact C-N 3.31Å; P259-A261 PolarHBondContact O-N 3.22Å
262	K	46.7	Very low	40.9	Very low	211 Å²	211	147.3 Å²	147.3	92%	0.917	87%	0.872	S	S	*	*			trans	117.8	70	173.6	-65.8	167.6	-177.2	-177.1	0	113
263	R	43.8	Very low	41.3	Very low	244 Å²	244	146.9 Å²	146.9	92%	0.921	88%	0.876	S	S	*	*			trans	-104.1	125.7	149.6	-70.3	-174.5	-176.6	-174.3	2	107.8
264	P	46.2	Very low	42.1	Very low	123 Å²	123	148 Å²	148	80%	0.799	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-70.3	139.5	170.8	28.9	-30.2	0	0	0	109.3
265	K	40.7	Very low	42.7	Very low	202 Å²	202	148.2 Å²	148.2	88%	0.878	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-71.8	133.4	175.1	-79.9	-177.7	175.9	-179.8	0	109.7
266	P	48.5	Very low	43.1	Very low	130 Å²	130	153.9 Å²	153.9	84%	0.844	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-77.2	132.3	170.6	30.1	-30.2	0	0	0	110.3
267	T	50.5	Low	44.1	Very low	213 Å²	213	157.4 Å²	157.4	100%	1.307	89%	0.886	S	S	*	*			trans	-91.3	0	158.5	46.4	0	0	0	0	109.6

Retrieved 267 of 267 residues in 214.4 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).