A0A093IZ29_STRCA Loading...

Flap endonuclease 1

Structure-specific nuclease with 5'-flap endonuclease and 5'-3' exonuclease activities involved in DNA replication and repair. During DNA replication, cleaves the 5'-overhanging flap structure that is generated by displacement synthesis when DNA polymerase encounters the 5'-end of a downstream Okazaki fragment. It enters the flap from the 5'-end and then tracks to cleave the flap base, leaving a nick for ligation. Also involved in the long patch base excision repair (LP-BER) pathway, by cleaving within the apurinic/apyrimidinic (AP) site-terminated flap. Acts as a genome stabilization factor that prevents flaps from equilibrating into structures that lead to duplications and deletions. Also possesses 5'-3' exonuclease activity on nicked or gapped double-stranded DNA, and exhibits RNase H activity. Also involved in replication and repair of rDNA and in repairing mitochondrial DNA.

AlphaFold DB , UniProt , Accession A0A093IZ29, Species STRCA (Struthio camelus australis), Gene n/a, Length 382 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	80	Confident	94.8	Very high	102 Å²	102	48 Å²	48	50%	0.502	27%	0.267	S	S	.	.				0	-161.1	0	-92.2	176	-95.4	0	0	106.8	I3 M37 Y40 E178 D179 M180	M1-I3 PolarHBondContact O-N 3.11Å; M1-M37 HydrophobicContact CE-CE 3.29Å; M1-M37 HydrophobicContact CE-SD 3.39Å; M1-M37 WeakPolarHBondContact CE-SD 3.4Å; M1-M37 HydrophobicContact SD-SD 4.37Å; M1-Y40 HydrophobicContact CE-CE1 4.43Å; M1-E178 PolarHBondContact N-O 3.02Å; M1-D179 VanDerWaalsContact C-CG 3.49Å; M1-D179 WeakPolarHBondContact CB-OD2 3.31Å; M1-M180 PolarHBondContact O-N 3Å
2	G	91.4	Very high	95	Very high	7 Å²	7	53.3 Å²	53.3	7%	0.072	29%	0.294	C	S	.	.			trans	71.9	-77.9	173.9	0	0	0	0	0	115.1	D179 C232	G2-D179 WeakPolarHBondContact CA-OD1 3.45Å; G2-D179 PolarHBondContact N-OD1 2.8Å; G2-D179 PolarHBondContact N-OD2 3.44Å; G2-C232 WeakPolarHBondContact O-CA 3.44Å
3	I	97.3	Very high	95.1	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.041	30%	0.3	C	S	.	.	S	Bend	trans	-101.3	119	-178.2	-47.8	-56	0	0	0	111.7	M1 G5 L6 D181 C227 L230 G231 C232 F283	M1-I3 PolarHBondContact O-N 3.11Å; I3-G5 PolarHBondContact O-N 3.42Å; I3-L6 HydrophobicContact CB-CB 3.81Å; I3-L6 HydrophobicContact CB-CD2 3.79Å; I3-L6 HydrophobicContact CB-CG 4.43Å; I3-L6 HydrophobicContact CG1-CD2 3.99Å; I3-L6 HydrophobicContact CG2-CB 3.73Å; I3-L6 HydrophobicContact CG2-CD2 3.99Å; I3-L6 HydrophobicContact CG2-CG 4.37Å; I3-L6 PolarHBondContact O-N 3.06Å; I3-D181 HydrophobicContact CD1-CB 4.02Å; I3-D181 HydrophobicContact CG1-CB 4.01Å; I3-C227 HydrophobicContact CD1-CB 3.91Å; I3-C227 HydrophobicContact CG1-CB 4.07Å; I3-C227 HydrophobicContact CG2-CB 4.01Å; I3-L230 HydrophobicContact CG2-CB 3.88Å; I3-L230 HydrophobicContact CG2-CD1 4.02Å; I3-G231 WeakPolarHBondContact CA-O 3.33Å; I3-C232 HydrophobicContact CD1-CB 3.49Å; I3-C232 VanDerWaalsContact CD1-CB 3.49Å; I3-F283 HydrophobicContact CD1-CZ 4.07Å
4	H	95.7	Very high	95.2	Very high	144 Å²	144	50.1 Å²	50.1	67%	0.667	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	120.2	-176	-172.3	76.5	0	0	0	112	L6 G231	H4-L6 PolarHBondContact O-N 2.91Å; H4-L6 VanDerWaalsContact O-N 3.16Å; H4-G231 PolarHBondContact N-O 3.49Å
5	G	95.3	Very high	95.3	Very high	34 Å²	34	52.1 Å²	52.1	35%	0.351	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	2.9	174.7	0	0	0	0	0	116.1	I3 A7 K8 L9	I3-G5 PolarHBondContact O-N 3.42Å; G5-A7 PolarHBondContact O-N 3.22Å; G5-K8 PolarHBondContact O-N 3.12Å; G5-L9 PolarHBondContact O-N 3.31Å
6	L	97.5	Very high	95.4	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-43.2	-174.7	-179.7	57.3	0	0	0	113.2	I3 H4 K8 L9 I10 M180 F223 L230	I3-L6 HydrophobicContact CB-CB 3.81Å; I3-L6 HydrophobicContact CB-CD2 3.79Å; I3-L6 HydrophobicContact CB-CG 4.43Å; I3-L6 HydrophobicContact CG1-CD2 3.99Å; I3-L6 HydrophobicContact CG2-CB 3.73Å; I3-L6 HydrophobicContact CG2-CD2 3.99Å; I3-L6 HydrophobicContact CG2-CG 4.37Å; I3-L6 PolarHBondContact O-N 3.06Å; H4-L6 PolarHBondContact O-N 2.91Å; H4-L6 VanDerWaalsContact O-N 3.16Å; L6-K8 VanDerWaalsContact C-N 3.33Å; L6-K8 PolarHBondContact O-N 3.14Å; L6-L9 HydrophobicContact CD1-CD2 4.42Å; L6-L9 WeakPolarHBondContact O-CB 3.42Å; L6-L9 PolarHBondContact O-N 3.06Å; L6-I10 HydrophobicContact CD1-CD1 3.83Å; L6-I10 HydrophobicContact CD1-CG1 4Å; L6-I10 HydrophobicContact CG-CD1 3.76Å; L6-I10 HydrophobicContact CG-CG1 4.41Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.2Å; L6-I10 PolarHBondContact O-N 3.03Å; L6-M180 HydrophobicContact CB-CB 4.4Å; L6-M180 HydrophobicContact CD2-CB 4.08Å; L6-M180 HydrophobicContact CD2-CE 4.41Å; L6-M180 HydrophobicContact CG-CE 4.17Å; L6-F223 HydrophobicContact CD1-CE2 4.18Å; L6-F223 HydrophobicContact CD1-CZ 4.21Å; L6-F223 HydrophobicContact CD2-CZ 4.12Å; L6-L230 HydrophobicContact CB-CD1 4.41Å; L6-L230 HydrophobicContact CD1-CD1 3.99Å
7	A	96.8	Very high	95.5	Very high	26 Å²	26	49.8 Å²	49.8	22%	0.215	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-43.1	178.8	0	0	0	0	0	112.4	G5 A11 M180	G5-A7 PolarHBondContact O-N 3.22Å; A7-A11 WeakPolarHBondContact O-CB 3.16Å; A7-A11 PolarHBondContact O-N 3Å; A7-M180 HydrophobicContact CB-CE 3.94Å; A7-M180 HydrophobicContact CB-CG 4.29Å; A7-M180 HydrophobicContact CB-SD 3.98Å
8	K	96.8	Very high	95.7	Very high	150 Å²	150	49.2 Å²	49.2	65%	0.652	29%	0.287	S	S	*	.	H	α-helix	trans	-66.6	-43.1	176.4	-177.7	179.3	178	-179.6	0	111	G5 L6 I10 A11 D12	G5-K8 PolarHBondContact O-N 3.12Å; L6-K8 VanDerWaalsContact C-N 3.33Å; L6-K8 PolarHBondContact O-N 3.14Å; K8-I10 PolarHBondContact O-N 3.01Å; K8-A11 PolarHBondContact O-N 3.3Å; K8-D12 VanDerWaalsContact O-CG 3.3Å; K8-D12 PolarHBondContact O-N 3.24Å
9	L	96.9	Very high	95.8	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-56	-51.3	176.7	-178.3	65.6	0	0	0	110.9	G5 L6 A11 D12 V13 L226 L230 P243 I247	G5-L9 PolarHBondContact O-N 3.31Å; L6-L9 HydrophobicContact CD1-CD2 4.42Å; L6-L9 WeakPolarHBondContact O-CB 3.42Å; L6-L9 PolarHBondContact O-N 3.06Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.38Å; L9-D12 PolarHBondContact O-N 3.23Å; L9-D12 VanDerWaalsContact O-N 3.14Å; L9-V13 HydrophobicContact CD1-CG1 4.07Å; L9-V13 HydrophobicContact CD1-CG2 4.43Å; L9-V13 HydrophobicContact CG-CG2 4.33Å; L9-V13 WeakPolarHBondContact O-CG2 3.19Å; L9-V13 PolarHBondContact O-N 3.3Å; L9-L226 HydrophobicContact CD2-CD2 4.42Å; L9-L230 HydrophobicContact CD2-CD1 3.66Å; L9-L230 HydrophobicContact CD2-CD2 4.15Å; L9-P243 HydrophobicContact CD1-CB 3.69Å; L9-P243 HydrophobicContact CD2-CB 4.36Å; L9-P243 HydrophobicContact CG-CB 4.45Å; L9-I247 HydrophobicContact CD1-CD1 3.41Å; L9-I247 VanDerWaalsContact CD1-CD1 3.41Å; L9-I247 HydrophobicContact CD1-CG1 4.43Å; L9-I247 HydrophobicContact CD2-CD1 3.98Å; L9-I247 HydrophobicContact CD2-CG1 4.36Å; L9-I247 HydrophobicContact CG-CD1 3.98Å
10	I	97.8	Very high	95.9	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-43.9	178.5	-63.8	159.9	0	0	0	110.6	L6 K8 D12 V13 A14 A17 I18 M180 L183 F207 I212	L6-I10 HydrophobicContact CD1-CD1 3.83Å; L6-I10 HydrophobicContact CD1-CG1 4Å; L6-I10 HydrophobicContact CG-CD1 3.76Å; L6-I10 HydrophobicContact CG-CG1 4.41Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.2Å; L6-I10 PolarHBondContact O-N 3.03Å; K8-I10 PolarHBondContact O-N 3.01Å; I10-D12 VanDerWaalsContact C-N 3.26Å; I10-D12 PolarHBondContact O-N 3.5Å; I10-V13 PolarHBondContact O-N 3.21Å; I10-A14 HydrophobicContact CG2-CB 4.31Å; I10-A14 CarbonylContact O-C 3.4Å; I10-A14 VanDerWaalsContact O-CA 3.32Å; I10-A14 WeakPolarHBondContact O-CA 3.42Å; I10-A14 PolarHBondContact O-N 3.33Å; I10-A17 HydrophobicContact CG2-CB 4.4Å; I10-I18 HydrophobicContact CG2-CD1 3.96Å; I10-I18 HydrophobicContact CG2-CG1 3.85Å; I10-M180 HydrophobicContact CD1-CE 3.77Å; I10-L183 HydrophobicContact CD1-CD1 4.08Å; I10-F207 HydrophobicContact CD1-CD1 4.11Å; I10-F207 HydrophobicContact CD1-CE1 4.48Å; I10-F207 HydrophobicContact CG2-CD1 4.2Å; I10-F207 HydrophobicContact CG2-CE1 4.45Å; I10-I212 HydrophobicContact CD1-CD1 3.63Å; I10-I212 HydrophobicContact CD1-CG1 4.43Å; I10-I212 HydrophobicContact CG1-CD1 4.16Å; I10-I212 HydrophobicContact CG1-CG1 4.45Å; I10-I212 HydrophobicContact CG1-CG2 4.38Å; I10-I212 HydrophobicContact CG2-CD1 4.21Å; I10-I212 HydrophobicContact CG2-CG1 4.04Å
11	A	97.4	Very high	95.9	Very high	45 Å²	45	56.5 Å²	56.5	37%	0.372	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-36.8	177.3	0	0	0	0	0	112.7	A7 K8 L9 I18	A7-A11 WeakPolarHBondContact O-CB 3.16Å; A7-A11 PolarHBondContact O-N 3Å; K8-A11 PolarHBondContact O-N 3.3Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.38Å; A11-I18 HydrophobicContact CB-CD1 3.82Å
12	D	96.9	Very high	96.6	Very high	112 Å²	112	56.2 Å²	56.2	60%	0.599	31%	0.309	S	S	*	.	H	α-helix	trans	-77.7	-37.5	-179.2	-69.5	-17.7	0	0	0	112.6	K8 L9 I10	K8-D12 VanDerWaalsContact O-CG 3.3Å; K8-D12 PolarHBondContact O-N 3.24Å; L9-D12 PolarHBondContact O-N 3.23Å; L9-D12 VanDerWaalsContact O-N 3.14Å; I10-D12 VanDerWaalsContact C-N 3.26Å; I10-D12 PolarHBondContact O-N 3.5Å
13	V	96.4	Very high	96.8	Very high	61 Å²	61	56.3 Å²	56.3	37%	0.37	31%	0.308	S	S	.	.	H	α-helix	trans	-114	-21.6	-167.7	-50.2	0	0	0	0	115.2	L9 I10 L216 I247	L9-V13 HydrophobicContact CD1-CG1 4.07Å; L9-V13 HydrophobicContact CD1-CG2 4.43Å; L9-V13 HydrophobicContact CG-CG2 4.33Å; L9-V13 WeakPolarHBondContact O-CG2 3.19Å; L9-V13 PolarHBondContact O-N 3.3Å; I10-V13 PolarHBondContact O-N 3.21Å; V13-L216 HydrophobicContact CB-CD2 4.37Å; V13-L216 HydrophobicContact CG2-CD2 3.46Å; V13-L216 VanDerWaalsContact CG2-CD2 3.46Å; V13-L216 HydrophobicContact CG2-CG 4.35Å; V13-I247 HydrophobicContact CG1-CD1 4.27Å; V13-I247 HydrophobicContact CG2-CD1 4.26Å
14	A	96.8	Very high	96.6	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.338	C	S	.	.			trans	-138.8	52.9	179.5	0	0	0	0	0	111.1	I10 A16 A17 D215	I10-A14 HydrophobicContact CG2-CB 4.31Å; I10-A14 CarbonylContact O-C 3.4Å; I10-A14 VanDerWaalsContact O-CA 3.32Å; I10-A14 WeakPolarHBondContact O-CA 3.42Å; I10-A14 PolarHBondContact O-N 3.33Å; A14-A16 PolarHBondContact O-N 3.31Å; A14-A16 VanDerWaalsContact O-N 3.15Å; A14-A17 HydrophobicContact CB-CB 4.47Å; A14-A17 VanDerWaalsContact O-CB 3.31Å; A14-A17 WeakPolarHBondContact O-CB 3.47Å; A14-A17 PolarHBondContact O-N 3.04Å; A14-D215 HydrophobicContact CB-CB 3.66Å
15	P	97.4	Very high	96.6	Very high	81 Å²	81	58.5 Å²	58.5	53%	0.526	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-61.3	-27	-174.3	23.9	-34.4	0	0	0	113.2	A17 I18	P15-A17 PolarHBondContact O-N 2.88Å; P15-I18 PolarHBondContact O-N 3.15Å; P15-I18 VanDerWaalsContact O-N 3.08Å
16	A	96.5	Very high	96.6	Very high	65 Å²	65	57.1 Å²	57.1	54%	0.537	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-68	-15.7	178.1	0	0	0	0	0	113.4	A14 I18	A14-A16 PolarHBondContact O-N 3.31Å; A14-A16 VanDerWaalsContact O-N 3.15Å; A16-I18 VanDerWaalsContact C-N 3.3Å
17	A	97.6	Very high	96.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-79.5	-12.8	173.4	0	0	0	0	0	113.4	I10 A14 P15 F207 H208 R211 I212	I10-A17 HydrophobicContact CG2-CB 4.4Å; A14-A17 HydrophobicContact CB-CB 4.47Å; A14-A17 VanDerWaalsContact O-CB 3.31Å; A14-A17 WeakPolarHBondContact O-CB 3.47Å; A14-A17 PolarHBondContact O-N 3.04Å; P15-A17 PolarHBondContact O-N 2.88Å; A17-F207 WeakPolarHBondContact O-CA 3.28Å; A17-H208 PolarHBondContact O-N 3.02Å; A17-R211 HydrophobicContact CB-CB 3.67Å; A17-I212 HydrophobicContact CB-CB 4.47Å; A17-I212 HydrophobicContact CB-CG1 3.51Å
18	I	98.3	Very high	96.2	Very high	38 Å²	38	60.4 Å²	60.4	20%	0.195	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.5	178.6	-50.9	-179.3	0	0	0	109.3	I10 A11 P15 A16 E206 F207	I10-I18 HydrophobicContact CG2-CD1 3.96Å; I10-I18 HydrophobicContact CG2-CG1 3.85Å; A11-I18 HydrophobicContact CB-CD1 3.82Å; P15-I18 PolarHBondContact O-N 3.15Å; P15-I18 VanDerWaalsContact O-N 3.08Å; A16-I18 VanDerWaalsContact C-N 3.3Å; I18-E206 CarbonylContact C-O 3.42Å; I18-E206 VanDerWaalsContact CA-O 3.26Å; I18-E206 WeakPolarHBondContact CA-O 3.3Å; I18-F207 HydrophobicContact CD1-CD1 4.23Å; I18-F207 HydrophobicContact CD1-CE1 3.58Å; I18-F207 HydrophobicContact CD1-CZ 4.23Å; I18-F207 HydrophobicContact CG1-CD1 3.86Å; I18-F207 HydrophobicContact CG1-CE1 3.7Å; I18-F207 HydrophobicContact CG1-CZ 4.45Å; I18-F207 HydrophobicContact CG2-CE1 4.48Å; I18-F207 HydrophobicContact CG2-CZ 4.44Å
19	R	97.5	Very high	96.2	Very high	131 Å²	131	53.8 Å²	53.8	49%	0.494	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.7	172.2	-60.5	-179.7	-180	173.4	0.1	110.1	Q205 E206	R19-Q205 CarbonylContact O-C 3.53Å; R19-Q205 WeakPolarHBondContact O-CA 3.25Å; R19-E206 HydrophobicContact CB-CB 4.28Å; R19-E206 PolarHBondContact N-O 2.73Å; R19-E206 PolarHBondContact O-N 3.27Å
20	E	97.5	Very high	96.2	Very high	113 Å²	113	57.4 Å²	57.4	53%	0.528	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.9	172.9	-56.2	-158.2	146.5	0	0	109.1	P203 V204 Q205	E20-P203 HydrophobicContact CB-CB 4.2Å; E20-P203 HydrophobicContact CB-CG 4.38Å; E20-V204 WeakPolarHBondContact CA-O 3.33Å; E20-Q205 HydrophobicContact CG-CG 4.15Å; E20-Q205 PolarHBondContact OE1-NE2 3.25Å
21	N	96.1	Very high	96.3	Very high	57 Å²	57	57.4 Å²	57.4	31%	0.305	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.5	178.8	-64	-58.1	0	0	0	110.9	A25 Y26 V204 E206	N21-A25 HydrophobicContact CB-CB 4.1Å; N21-Y26 HydrophobicContact CB-CE2 3.98Å; N21-Y26 WeakPolarHBondContact CB-OH 3.43Å; N21-Y26 PolarHBondContact ND2-OH 2.91Å; N21-V204 PolarHBondContact N-O 3.16Å; N21-V204 PolarHBondContact O-N 3.5Å; N21-E206 PolarHBondContact ND2-OE1 2.92Å
22	D	95.7	Very high	96.4	Very high	96 Å²	96	55.2 Å²	55.2	51%	0.513	29%	0.289	S	S	.	.			trans	-70	148.3	167.9	-173.1	-89.3	0	0	0	110.2	K24 A25	D22-K24 PolarHBondContact O-N 3.19Å; D22-K24 VanDerWaalsContact O-N 3.09Å; D22-K24 WeakPolarHBondContact OD1-CB 3.36Å; D22-K24 WeakPolarHBondContact OD1-CD 3.29Å; D22-K24 WeakPolarHBondContact OD1-CG 3.44Å; D22-K24 PolarHBondContact OD1-N 2.67Å; D22-A25 VanDerWaalsContact O-CB 3.22Å; D22-A25 WeakPolarHBondContact O-CB 3.42Å; D22-A25 PolarHBondContact O-N 2.97Å
23	I	95.3	Very high	96.4	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.051	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-56.4	-29	179.9	-168.4	169.8	0	0	0	112.8	A25 Y26 R73 M74 N77 I79 L194 V204	I23-A25 PolarHBondContact O-N 3.48Å; I23-Y26 WeakPolarHBondContact O-CD2 3.29Å; I23-Y26 PolarHBondContact O-N 3.29Å; I23-R73 HydrophobicContact CD1-CG 4.27Å; I23-M74 HydrophobicContact CD1-CG 4.5Å; I23-N77 HydrophobicContact CG1-CB 4.15Å; I23-I79 HydrophobicContact CD1-CD1 4.16Å; I23-I79 HydrophobicContact CG1-CD1 3.68Å; I23-L194 HydrophobicContact CD1-CD1 4.06Å; I23-L194 HydrophobicContact CG1-CD1 4.22Å; I23-V204 HydrophobicContact CB-CG2 4.3Å
24	K	93.3	Very high	96.5	Very high	152 Å²	152	47.2 Å²	47.2	66%	0.661	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-64.5	-22.3	177.1	-66.3	168.7	-175.6	177.3	0	113.3	D22 Y26 F27 N77	D22-K24 PolarHBondContact O-N 3.19Å; D22-K24 VanDerWaalsContact O-N 3.09Å; D22-K24 WeakPolarHBondContact OD1-CB 3.36Å; D22-K24 WeakPolarHBondContact OD1-CD 3.29Å; D22-K24 WeakPolarHBondContact OD1-CG 3.44Å; D22-K24 PolarHBondContact OD1-N 2.67Å; K24-Y26 PolarHBondContact O-N 2.69Å; K24-F27 PolarHBondContact O-N 3.34Å; K24-N77 WeakPolarHBondContact CG-OD1 3.43Å
25	A	95.3	Very high	96.6	Very high	45 Å²	45	47.2 Å²	47.2	37%	0.372	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-66.9	-18	178.7	0	0	0	0	0	112.9	N21 D22 I23 R339	N21-A25 HydrophobicContact CB-CB 4.1Å; D22-A25 VanDerWaalsContact O-CB 3.22Å; D22-A25 WeakPolarHBondContact O-CB 3.42Å; D22-A25 PolarHBondContact O-N 2.97Å; I23-A25 PolarHBondContact O-N 3.48Å; A25-R339 PolarHBondContact O-NH1 3.05Å; A25-R339 VanDerWaalsContact O-NH1 3.17Å
26	Y	95.7	Very high	96.3	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.02	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-96.2	14.9	-175.2	-57.5	-77.8	0	0	0	114.2	N21 I23 K24 G28 R29 Y173 M191 V204 E206	N21-Y26 HydrophobicContact CB-CE2 3.98Å; N21-Y26 WeakPolarHBondContact CB-OH 3.43Å; N21-Y26 PolarHBondContact ND2-OH 2.91Å; I23-Y26 WeakPolarHBondContact O-CD2 3.29Å; I23-Y26 PolarHBondContact O-N 3.29Å; K24-Y26 PolarHBondContact O-N 2.69Å; Y26-G28 PolarHBondContact O-N 3.44Å; Y26-R29 HydrophobicContact CD1-CG 4.48Å; Y26-R29 VanDerWaalsContact O-CB 3.29Å; Y26-R29 WeakPolarHBondContact O-CB 3.49Å; Y26-R29 WeakPolarHBondContact O-CG 3.5Å; Y26-R29 PolarHBondContact O-N 3.08Å; Y26-Y173 HydrophobicContact CD1-CE1 4.3Å; Y26-Y173 HydrophobicContact CE1-CE1 4.2Å; Y26-M191 HydrophobicContact CD1-CE 3.55Å; Y26-M191 HydrophobicContact CD1-SD 4.2Å; Y26-M191 HydrophobicContact CD2-CE 3.93Å; Y26-M191 HydrophobicContact CE1-CE 3.32Å; Y26-M191 HydrophobicContact CE1-SD 3.96Å; Y26-M191 HydrophobicContact CE2-CE 3.75Å; Y26-M191 HydrophobicContact CG-CE 3.84Å; Y26-M191 VanDerWaalsContact CZ-CE 3.42Å; Y26-V204 HydrophobicContact CE2-CB 3.78Å; Y26-V204 HydrophobicContact CE2-CG1 3.81Å; Y26-V204 HydrophobicContact CE2-CG2 4.16Å; Y26-E206 HydrophobicContact CE1-CG 4.29Å; Y26-E206 WeakPolarHBondContact CE1-OE1 3.42Å; Y26-E206 WeakPolarHBondContact OH-CG 3.5Å; Y26-E206 PolarHBondContact OH-OE1 2.86Å
27	F	94.2	Very high	96.2	Very high	87 Å²	87	42.2 Å²	42.2	38%	0.382	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	129.6	174.6	-176.4	-87.2	0	0	0	111.5	K24 R29 N77 T336 R339	K24-F27 PolarHBondContact O-N 3.34Å; F27-R29 VanDerWaalsContact C-N 3.28Å; F27-R29 PolarHBondContact O-N 3.27Å; F27-N77 WeakPolarHBondContact CA-O 3.38Å; F27-T336 HydrophobicContact CE1-CG2 4.48Å; F27-T336 HydrophobicContact CZ-CG2 4.19Å; F27-R339 WeakPolarHBondContact O-CD 3.46Å
28	G	91.5	Very high	96.2	Very high	11 Å²	11	42.4 Å²	42.4	11%	0.113	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-13.3	-179.6	0	0	0	0	0	115	Y26 G78	Y26-G28 PolarHBondContact O-N 3.44Å; G28-G78 WeakPolarHBondContact CA-O 3.31Å; G28-G78 PolarHBondContact N-O 3.13Å
29	R	96.1	Very high	96.1	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.038	20%	0.197	C	C	.	.			trans	-73.8	135.3	-177	-63.6	-65.3	-162	-170.5	-1.6	111.3	Y26 F27 V31 K80 Y173 D341 D342	Y26-R29 HydrophobicContact CD1-CG 4.48Å; Y26-R29 VanDerWaalsContact O-CB 3.29Å; Y26-R29 WeakPolarHBondContact O-CB 3.49Å; Y26-R29 WeakPolarHBondContact O-CG 3.5Å; Y26-R29 PolarHBondContact O-N 3.08Å; F27-R29 VanDerWaalsContact C-N 3.28Å; F27-R29 PolarHBondContact O-N 3.27Å; R29-V31 HydrophobicContact CB-CG2 4.45Å; R29-K80 PolarHBondContact O-N 2.93Å; R29-Y173 HydrophobicContact CB-CD1 4.44Å; R29-Y173 HydrophobicContact CB-CG 4.43Å; R29-Y173 HydrophobicContact CG-CD1 4.27Å; R29-Y173 HydrophobicContact CG-CG 4.22Å; R29-D341 IonicContact CZ-OD2 3.25Å; R29-D341 IonicContact NH2-OD2 2.7Å; R29-D341 PolarHBondContact NH2-OD2 3.29Å; R29-D342 IonicContact CZ-OD1 2.71Å; R29-D342 IonicContact NH1-OD1 3.27Å; R29-D342 PolarHBondContact NH1-OD1 3.49Å; R29-D342 IonicContact NH1-OD2 2.81Å
30	K	97.9	Very high	95.9	Very high	86 Å²	86	37.8 Å²	37.8	37%	0.374	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.1	165.8	-63.5	172.4	-178.3	176.4	0	109	K80 K171 V172 Y173 W298	K30-K80 VanDerWaalsContact CA-O 3.3Å; K30-K80 WeakPolarHBondContact CA-O 3.5Å; K30-K80 HydrophobicContact CB-CB 4.5Å; K30-K80 HydrophobicContact CG-CB 3.97Å; K30-K80 HydrophobicContact CG-CD 4.29Å; K30-K171 WeakPolarHBondContact CD-O 3.46Å; K30-V172 HydrophobicContact CB-CB 4.2Å; K30-V172 HydrophobicContact CB-CG1 4.09Å; K30-Y173 WeakPolarHBondContact O-CB 3.34Å; K30-Y173 PolarHBondContact O-N 2.67Å; K30-W298 HydrophobicContact CB-CH2 4.49Å; K30-W298 HydrophobicContact CD-CH2 4.16Å; K30-W298 HydrophobicContact CD-CZ3 4.33Å; K30-W298 HydrophobicContact CG-CH2 4.03Å; K30-W298 HydrophobicContact CG-CZ3 4.47Å
31	V	98.7	Very high	95.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.7	-177.5	179.8	0	0	0	0	109.3	R29 I33 I79 K80 P81 V82 A174 A176 M191 L194	R29-V31 HydrophobicContact CB-CG2 4.45Å; V31-I33 HydrophobicContact CG1-CG1 4.31Å; V31-I79 HydrophobicContact CB-CG2 4.25Å; V31-I79 HydrophobicContact CG2-CG2 3.91Å; V31-K80 PolarHBondContact N-O 2.97Å; V31-P81 WeakPolarHBondContact O-CA 3.41Å; V31-V82 PolarHBondContact O-N 3.16Å; V31-A174 WeakPolarHBondContact CA-O 3.32Å; V31-A174 WeakPolarHBondContact CG1-O 3.31Å; V31-A176 HydrophobicContact CG1-CB 3.56Å; V31-M191 HydrophobicContact CG1-SD 4.5Å; V31-M191 HydrophobicContact CG2-SD 4.23Å; V31-L194 HydrophobicContact CB-CD2 4.44Å; V31-L194 HydrophobicContact CG1-CD2 3.78Å
32	A	98.8	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.9	171.4	0	0	0	0	0	109.7	V82 V84 C163 L166 V172 A174 A175 A176	A32-V82 CarbonylContact C-O 3.57Å; A32-V82 WeakPolarHBondContact CA-O 3.12Å; A32-V82 HydrophobicContact CB-CG1 3.98Å; A32-V84 HydrophobicContact CB-CG2 4.25Å; A32-C163 HydrophobicContact CB-CB 3.98Å; A32-L166 HydrophobicContact CB-CD1 4.21Å; A32-V172 HydrophobicContact CB-CG1 4.42Å; A32-V172 HydrophobicContact CB-CG2 3.84Å; A32-A174 PolarHBondContact N-O 2.69Å; A32-A175 CarbonylContact O-C 3.54Å; A32-A175 VanDerWaalsContact O-CA 3.32Å; A32-A175 WeakPolarHBondContact O-CA 3.36Å; A32-A176 PolarHBondContact O-N 3.06Å
33	I	98.8	Very high	95.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127	-173.9	-53	-178	0	0	0	108.6	V31 A35 S38 M74 P81 V82 Y83 V84 A176 T195	V31-I33 HydrophobicContact CG1-CG1 4.31Å; I33-A35 PolarHBondContact O-N 3.4Å; I33-A35 VanDerWaalsContact O-N 3.11Å; I33-S38 WeakPolarHBondContact CG2-OG 3.48Å; I33-M74 HydrophobicContact CD1-CE 3.39Å; I33-M74 HydrophobicContact CD1-SD 3.43Å; I33-M74 WeakPolarHBondContact CD1-SD 3.43Å; I33-P81 HydrophobicContact CD1-CB 3.51Å; I33-P81 HydrophobicContact CG1-CB 4.37Å; I33-V82 PolarHBondContact N-O 2.78Å; I33-Y83 HydrophobicContact CB-CD1 3.92Å; I33-Y83 HydrophobicContact CB-CE1 3.98Å; I33-Y83 HydrophobicContact CB-CG 4.44Å; I33-Y83 HydrophobicContact CD1-CE1 4.16Å; I33-Y83 HydrophobicContact CD1-CE2 4.21Å; I33-Y83 HydrophobicContact CG2-CD1 3.91Å; I33-Y83 HydrophobicContact CG2-CE1 3.62Å; I33-Y83 CarbonylContact O-C 3.51Å; I33-Y83 WeakPolarHBondContact O-CA 3.39Å; I33-V84 PolarHBondContact O-N 3.19Å; I33-A176 HydrophobicContact CG1-CB 4.16Å; I33-T195 HydrophobicContact CG2-CG2 3.86Å
34	D	98.3	Very high	95.4	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	107.9	169.8	175	-14.1	0	0	0	109.7	S36 M37 S38 A176 T177	D34-S36 PolarHBondContact OD1-N 3.29Å; D34-M37 HydrophobicContact CB-CB 4.19Å; D34-M37 WeakPolarHBondContact OD1-CB 3.15Å; D34-M37 PolarHBondContact OD1-N 2.79Å; D34-M37 WeakPolarHBondContact OD2-CB 3.42Å; D34-S38 VanDerWaalsContact O-CB 3.31Å; D34-S38 WeakPolarHBondContact O-CB 3.3Å; D34-S38 PolarHBondContact O-N 2.85Å; D34-S38 VanDerWaalsContact O-N 3.16Å; D34-S38 PolarHBondContact O-OG 2.99Å; D34-A176 PolarHBondContact N-O 2.91Å; D34-T177 PolarHBondContact OD2-OG1 3.17Å
35	A	97.9	Very high	95.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-73.2	-40.3	-174.2	0	0	0	0	0	111.5	I33 S38 I39 Y83 V84 F85	I33-A35 PolarHBondContact O-N 3.4Å; I33-A35 VanDerWaalsContact O-N 3.11Å; A35-S38 WeakPolarHBondContact O-CB 3.45Å; A35-S38 PolarHBondContact O-N 3.23Å; A35-I39 VanDerWaalsContact O-CG1 3.24Å; A35-I39 WeakPolarHBondContact O-CG1 3.37Å; A35-I39 PolarHBondContact O-N 2.9Å; A35-Y83 HydrophobicContact CB-CD1 3.96Å; A35-V84 WeakPolarHBondContact CB-O 3.47Å; A35-V84 PolarHBondContact N-O 3Å; A35-F85 HydrophobicContact CB-CD1 3.58Å; A35-F85 HydrophobicContact CB-CD2 4.03Å; A35-F85 HydrophobicContact CB-CE1 3.64Å; A35-F85 HydrophobicContact CB-CE2 4.04Å; A35-F85 HydrophobicContact CB-CG 3.81Å; A35-F85 HydrophobicContact CB-CZ 3.87Å
36	S	92.1	Very high	94.8	Very high	22 Å²	22	23.9 Å²	23.9	15%	0.154	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-47.6	-178.8	-66.4	0	0	0	0	111.5	D34 S38 I39 Y40 D86	D34-S36 PolarHBondContact OD1-N 3.29Å; S36-S38 VanDerWaalsContact C-N 3.31Å; S36-S38 PolarHBondContact O-N 3.38Å; S36-I39 PolarHBondContact O-N 3.36Å; S36-Y40 WeakPolarHBondContact O-CB 3.29Å; S36-Y40 PolarHBondContact O-N 2.82Å; S36-D86 WeakPolarHBondContact CB-OD2 3.34Å; S36-D86 PolarHBondContact OG-OD2 3.26Å
37	M	94.1	Very high	94.3	Very high	19 Å²	19	25.9 Å²	25.9	9%	0.094	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-39.7	175.4	-173.9	59.6	-115.6	0	0	110.8	M1 D34 Y40 Q41 E178	M1-M37 HydrophobicContact CE-CE 3.29Å; M1-M37 HydrophobicContact CE-SD 3.39Å; M1-M37 WeakPolarHBondContact CE-SD 3.4Å; M1-M37 HydrophobicContact SD-SD 4.37Å; D34-M37 HydrophobicContact CB-CB 4.19Å; D34-M37 WeakPolarHBondContact OD1-CB 3.15Å; D34-M37 PolarHBondContact OD1-N 2.79Å; D34-M37 WeakPolarHBondContact OD2-CB 3.42Å; M37-Y40 HydrophobicContact CE-CD1 4.04Å; M37-Y40 PolarHBondContact O-N 2.93Å; M37-Q41 HydrophobicContact CE-CG 3.46Å; M37-Q41 VanDerWaalsContact CE-CG 3.46Å; M37-Q41 WeakPolarHBondContact O-CG 3.47Å; M37-Q41 PolarHBondContact O-N 2.97Å; M37-E178 HydrophobicContact CE-CB 4.45Å; M37-E178 HydrophobicContact CG-CB 4.41Å
38	S	96.2	Very high	93.7	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-46.9	176.5	-62.4	0	0	0	0	112.9	I33 D34 A35 S36 Y40 Q41 F42 T195	I33-S38 WeakPolarHBondContact CG2-OG 3.48Å; D34-S38 VanDerWaalsContact O-CB 3.31Å; D34-S38 WeakPolarHBondContact O-CB 3.3Å; D34-S38 PolarHBondContact O-N 2.85Å; D34-S38 VanDerWaalsContact O-N 3.16Å; D34-S38 PolarHBondContact O-OG 2.99Å; A35-S38 WeakPolarHBondContact O-CB 3.45Å; A35-S38 PolarHBondContact O-N 3.23Å; S36-S38 VanDerWaalsContact C-N 3.31Å; S36-S38 PolarHBondContact O-N 3.38Å; S38-Y40 VanDerWaalsContact C-N 3.32Å; S38-Y40 PolarHBondContact O-N 3.32Å; S38-Q41 WeakPolarHBondContact O-CB 3.31Å; S38-Q41 PolarHBondContact O-N 3.46Å; S38-F42 WeakPolarHBondContact O-CD1 3.5Å; S38-F42 VanDerWaalsContact O-CD2 3.25Å; S38-F42 WeakPolarHBondContact O-CD2 3.48Å; S38-F42 WeakPolarHBondContact O-CG 3.48Å; S38-F42 PolarHBondContact O-N 3.25Å; S38-T195 WeakPolarHBondContact OG-CG2 3.3Å
39	I	96.9	Very high	93	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.4	-45.2	178.2	-69.1	162.9	0	0	0	110	A35 S36 Q41 F42 L43 H63 M67 F85 V133 H137 C141	A35-I39 VanDerWaalsContact O-CG1 3.24Å; A35-I39 WeakPolarHBondContact O-CG1 3.37Å; A35-I39 PolarHBondContact O-N 2.9Å; S36-I39 PolarHBondContact O-N 3.36Å; I39-Q41 VanDerWaalsContact C-N 3.32Å; I39-Q41 PolarHBondContact O-N 2.96Å; I39-F42 PolarHBondContact O-N 2.94Å; I39-F42 VanDerWaalsContact O-N 3.12Å; I39-L43 HydrophobicContact CG2-CD1 4.01Å; I39-L43 HydrophobicContact CG2-CG 4.33Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 3.44Å; I39-H63 HydrophobicContact CG2-CB 3.89Å; I39-M67 HydrophobicContact CD1-CE 4.39Å; I39-M67 HydrophobicContact CG1-CE 3.94Å; I39-F85 HydrophobicContact CD1-CD1 4.49Å; I39-F85 HydrophobicContact CD1-CE1 3.83Å; I39-V133 HydrophobicContact CB-CG1 4.43Å; I39-V133 HydrophobicContact CB-CG2 4.47Å; I39-V133 HydrophobicContact CG2-CB 4.49Å; I39-V133 HydrophobicContact CG2-CG1 3.75Å; I39-V133 HydrophobicContact CG2-CG2 3.97Å; I39-H137 HydrophobicContact CG2-CB 4.19Å; I39-C141 HydrophobicContact CD1-CB 4.03Å
40	Y	94.3	Very high	92	Very high	73 Å²	73	31.7 Å²	31.7	29%	0.286	18%	0.177	S	C	.	.	H	α-helix	trans	-57.5	-44.8	175.9	-177	-105.1	0	0	0	112	M1 S36 M37 S38 F42 L43 I44 V131 V133	M1-Y40 HydrophobicContact CE-CE1 4.43Å; S36-Y40 WeakPolarHBondContact O-CB 3.29Å; S36-Y40 PolarHBondContact O-N 2.82Å; M37-Y40 HydrophobicContact CE-CD1 4.04Å; M37-Y40 PolarHBondContact O-N 2.93Å; S38-Y40 VanDerWaalsContact C-N 3.32Å; S38-Y40 PolarHBondContact O-N 3.32Å; Y40-F42 VanDerWaalsContact C-N 3.34Å; Y40-F42 PolarHBondContact O-N 3.09Å; Y40-L43 PolarHBondContact O-N 3.16Å; Y40-I44 HydrophobicContact CD1-CD1 3.79Å; Y40-I44 HydrophobicContact CD2-CD1 4.39Å; Y40-I44 HydrophobicContact CE1-CD1 3.25Å; Y40-I44 HydrophobicContact CE2-CD1 3.93Å; Y40-I44 HydrophobicContact CG-CD1 4.33Å; Y40-I44 WeakPolarHBondContact O-CG1 3.22Å; Y40-I44 PolarHBondContact O-N 3.32Å; Y40-V131 HydrophobicContact CD2-CG1 4.31Å; Y40-V131 HydrophobicContact CE2-CG1 4.3Å; Y40-V133 HydrophobicContact CD2-CG2 4.23Å
41	Q	94.1	Very high	91.2	Very high	44 Å²	44	34.4 Å²	34.4	21%	0.206	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-40.5	175	-71.4	177.7	-39.7	0	0	112.8	M37 S38 I39 I44 A45 T195	M37-Q41 HydrophobicContact CE-CG 3.46Å; M37-Q41 VanDerWaalsContact CE-CG 3.46Å; M37-Q41 WeakPolarHBondContact O-CG 3.47Å; M37-Q41 PolarHBondContact O-N 2.97Å; S38-Q41 WeakPolarHBondContact O-CB 3.31Å; S38-Q41 PolarHBondContact O-N 3.46Å; I39-Q41 VanDerWaalsContact C-N 3.32Å; I39-Q41 PolarHBondContact O-N 2.96Å; Q41-I44 PolarHBondContact O-N 3.09Å; Q41-A45 WeakPolarHBondContact O-CB 3.26Å; Q41-A45 PolarHBondContact O-N 3.25Å; Q41-T195 PolarHBondContact OE1-OG1 2.95Å
42	F	94.6	Very high	90.5	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-46.5	-179.9	-58.6	-25.2	0	0	0	111.2	S38 I39 Y40 I44 A45 V46 M67 R70	S38-F42 WeakPolarHBondContact O-CD1 3.5Å; S38-F42 VanDerWaalsContact O-CD2 3.25Å; S38-F42 WeakPolarHBondContact O-CD2 3.48Å; S38-F42 WeakPolarHBondContact O-CG 3.48Å; S38-F42 PolarHBondContact O-N 3.25Å; I39-F42 PolarHBondContact O-N 2.94Å; I39-F42 VanDerWaalsContact O-N 3.12Å; Y40-F42 VanDerWaalsContact C-N 3.34Å; Y40-F42 PolarHBondContact O-N 3.09Å; F42-I44 PolarHBondContact O-N 2.78Å; F42-A45 PolarHBondContact O-N 3.44Å; F42-V46 HydrophobicContact CB-CG2 4.46Å; F42-V46 WeakPolarHBondContact O-CB 3.36Å; F42-V46 WeakPolarHBondContact O-CG2 3.42Å; F42-V46 PolarHBondContact O-N 3.21Å; F42-M67 HydrophobicContact CD2-CB 4.48Å; F42-M67 HydrophobicContact CE2-CB 4.2Å; F42-M67 HydrophobicContact CE2-CE 4.29Å; F42-M67 HydrophobicContact CE2-SD 4.24Å; F42-R70 HydrophobicContact CE1-CB 4.39Å; F42-R70 HydrophobicContact CE1-CG 3.66Å; F42-R70 HydrophobicContact CZ-CB 4.06Å; F42-R70 HydrophobicContact CZ-CG 3.83Å
43	L	93.6	Very high	89.9	Confident	6 Å²	6	37 Å²	37	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-32.7	176.9	-66.2	172.2	0	0	0	112.7	I39 Y40 T60 H63 V131 V133	I39-L43 HydrophobicContact CG2-CD1 4.01Å; I39-L43 HydrophobicContact CG2-CG 4.33Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 3.44Å; Y40-L43 PolarHBondContact O-N 3.16Å; L43-T60 HydrophobicContact CD2-CG2 3.63Å; L43-H63 HydrophobicContact CD2-CB 4.09Å; L43-H63 HydrophobicContact CG-CB 4.41Å; L43-V131 HydrophobicContact CB-CG1 3.45Å; L43-V131 VanDerWaalsContact CB-CG1 3.45Å; L43-V131 HydrophobicContact CD1-CG1 4Å; L43-V131 HydrophobicContact CG-CG1 4.37Å; L43-V133 HydrophobicContact CD1-CG2 4.07Å
44	I	91.2	Very high	89.5	Confident	44 Å²	44	42.3 Å²	42.3	23%	0.226	23%	0.233	C	C	.	.	H	α-helix	trans	-78.5	-41.8	176.8	-70.1	173.7	0	0	0	112.3	Y40 Q41 F42 R47 K128 V131	Y40-I44 HydrophobicContact CD1-CD1 3.79Å; Y40-I44 HydrophobicContact CD2-CD1 4.39Å; Y40-I44 HydrophobicContact CE1-CD1 3.25Å; Y40-I44 HydrophobicContact CE2-CD1 3.93Å; Y40-I44 HydrophobicContact CG-CD1 4.33Å; Y40-I44 WeakPolarHBondContact O-CG1 3.22Å; Y40-I44 PolarHBondContact O-N 3.32Å; Q41-I44 PolarHBondContact O-N 3.09Å; F42-I44 PolarHBondContact O-N 2.78Å; I44-R47 VanDerWaalsContact O-CD 3.26Å; I44-R47 WeakPolarHBondContact O-CD 3.47Å; I44-K128 HydrophobicContact CG2-CB 4.45Å; I44-K128 HydrophobicContact CG2-CD 4.25Å; I44-K128 HydrophobicContact CG2-CG 4.26Å; I44-V131 HydrophobicContact CG1-CB 4.1Å; I44-V131 HydrophobicContact CG1-CG1 4.1Å; I44-V131 HydrophobicContact CG1-CG2 4.12Å
45	A	87.9	Confident	89.1	Confident	66 Å²	66	42.7 Å²	42.7	55%	0.545	24%	0.235	S	C	.	.	H	α-helix	trans	-90.5	-26	-168.5	0	0	0	0	0	113.9	Q41 F42 R47	Q41-A45 WeakPolarHBondContact O-CB 3.26Å; Q41-A45 PolarHBondContact O-N 3.25Å; F42-A45 PolarHBondContact O-N 3.44Å; A45-R47 PolarHBondContact O-N 2.85Å
46	V	86.9	Confident	88.5	Confident	16 Å²	16	50.9 Å²	50.9	10%	0.097	27%	0.274	C	S	.	.	S	Bend	trans	-100.5	84.9	-173.8	-177.4	0	0	0	0	108.7	F42 L53 S62 M65	F42-V46 HydrophobicContact CB-CG2 4.46Å; F42-V46 WeakPolarHBondContact O-CB 3.36Å; F42-V46 WeakPolarHBondContact O-CG2 3.42Å; F42-V46 PolarHBondContact O-N 3.21Å; V46-L53 HydrophobicContact CG1-CD1 3.71Å; V46-L53 HydrophobicContact CG1-CG 4.37Å; V46-S62 WeakPolarHBondContact O-CB 3.39Å; V46-S62 PolarHBondContact O-OG 3.43Å; V46-M65 HydrophobicContact CG1-CB 4.41Å; V46-M65 HydrophobicContact CG1-CE 3.19Å
47	R	87	Confident	88.2	Confident	47 Å²	47	57.2 Å²	57.2	18%	0.177	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	159.4	-171.3	-61.7	-173.1	78.6	152.1	7.1	110.8	I44 A45 A50 E51 S127	I44-R47 VanDerWaalsContact O-CD 3.26Å; I44-R47 WeakPolarHBondContact O-CD 3.47Å; A45-R47 PolarHBondContact O-N 2.85Å; R47-A50 PolarHBondContact NH2-O 3.32Å; R47-E51 CarbonylContact C-O 3.54Å; R47-E51 WeakPolarHBondContact CA-O 3.39Å; R47-E51 WeakPolarHBondContact CB-O 3.35Å; R47-S127 PolarHBondContact NH1-O 2.97Å; R47-S127 PolarHBondContact NH2-OG 3.14Å
48	Q	79.9	Confident	87.8	Confident	149 Å²	149	58.1 Å²	58.1	70%	0.696	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	103.6	164.5	-70.5	-176.3	27.7	0	0	107.8	A50 E51 L53	Q48-A50 PolarHBondContact O-N 2.9Å; Q48-E51 PolarHBondContact N-O 3Å; Q48-E51 PolarHBondContact O-N 3.06Å; Q48-E51 VanDerWaalsContact O-N 3.13Å; Q48-L53 HydrophobicContact CG-CD2 3.78Å
49	G	77.4	Confident	87.5	Confident	50 Å²	50	60.7 Å²	60.7	52%	0.515	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	-126.7	-170.9	0	0	0	0	0	112	E51	G49-E51 VanDerWaalsContact C-N 3.32Å
50	A	75	Confident	87.4	Confident	31 Å²	31	62.2 Å²	62.2	26%	0.256	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2.2	179.5	0	0	0	0	0	114.2	R47 Q48 I123 E124 S127	R47-A50 PolarHBondContact NH2-O 3.32Å; Q48-A50 PolarHBondContact O-N 2.9Å; A50-I123 HydrophobicContact CB-CG2 4.08Å; A50-E124 HydrophobicContact CB-CB 4.34Å; A50-S127 PolarHBondContact O-OG 3.04Å; A50-S127 VanDerWaalsContact O-OG 3.1Å
51	E	80.9	Confident	87.4	Confident	144 Å²	144	59 Å²	59	67%	0.673	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.4	-174	-66.6	-177.6	171.7	0	0	111.7	R47 Q48 G49	R47-E51 CarbonylContact C-O 3.54Å; R47-E51 WeakPolarHBondContact CA-O 3.39Å; R47-E51 WeakPolarHBondContact CB-O 3.35Å; Q48-E51 PolarHBondContact N-O 3Å; Q48-E51 PolarHBondContact O-N 3.06Å; Q48-E51 VanDerWaalsContact O-N 3.13Å; G49-E51 VanDerWaalsContact C-N 3.32Å
52	A	84.5	Confident	87.5	Confident	24 Å²	24	56.9 Å²	56.9	20%	0.198	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	152.8	170.9	0	0	0	0	0	109.5	Q54 T60	A52-Q54 PolarHBondContact O-N 2.92Å; A52-T60 HydrophobicContact CB-CG2 3.95Å
53	L	86.8	Confident	87.6	Confident	30 Å²	30	56.7 Å²	56.7	16%	0.157	31%	0.313	C	S	.	.			trans	-64.7	134.3	170.7	-61.1	-179.2	0	0	0	109.6	V46 Q48 T60 T61 S62 M65	V46-L53 HydrophobicContact CG1-CD1 3.71Å; V46-L53 HydrophobicContact CG1-CG 4.37Å; Q48-L53 HydrophobicContact CG-CD2 3.78Å; L53-T60 CarbonylContact O-C 3.59Å; L53-T60 WeakPolarHBondContact O-CA 3.02Å; L53-T61 PolarHBondContact O-N 3.07Å; L53-T61 PolarHBondContact O-OG1 3.15Å; L53-S62 WeakPolarHBondContact CB-OG 3.35Å; L53-S62 PolarHBondContact N-OG 3.25Å; L53-S62 PolarHBondContact O-OG 3.13Å; L53-M65 HydrophobicContact CD1-CE 3.27Å; L53-M65 HydrophobicContact CD1-SD 4.02Å
54	Q	90.4	Very high	87.8	Confident	111 Å²	111	56.4 Å²	56.4	52%	0.519	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-134	160.6	-179.7	-67.7	174.7	-12.5	0	0	111.2	A52 E59	A52-Q54 PolarHBondContact O-N 2.92Å; Q54-E59 CarbonylContact C-O 3.51Å; Q54-E59 WeakPolarHBondContact CA-O 3.44Å; Q54-E59 WeakPolarHBondContact CB-O 3.22Å
55	N	88.9	Confident	88	Confident	14 Å²	14	56.9 Å²	56.9	8%	0.075	31%	0.314	C	S	.	.			trans	-86	178.6	163.9	67.1	1.8	0	0	0	110.6	E57 G58 E59 T61 Q315	N55-E57 PolarHBondContact O-N 2.96Å; N55-E57 PolarHBondContact OD1-N 3.36Å; N55-G58 PolarHBondContact O-N 2.88Å; N55-G58 PolarHBondContact OD1-N 3.03Å; N55-E59 PolarHBondContact N-O 2.9Å; N55-E59 PolarHBondContact ND2-OE2 2.87Å; N55-E59 WeakPolarHBondContact OD1-CA 3.43Å; N55-E59 VanDerWaalsContact OD1-CB 3.3Å; N55-E59 WeakPolarHBondContact OD1-CB 3.3Å; N55-E59 PolarHBondContact OD1-N 3Å; N55-E59 PolarHBondContact OD1-O 2.82Å; N55-T61 HydrophobicContact CB-CG2 4.32Å; N55-Q315 HydrophobicContact CB-CB 4.43Å; N55-Q315 HydrophobicContact CB-CG 4.44Å
56	E	85.1	Confident	88.4	Confident	171 Å²	171	53.8 Å²	53.8	80%	0.799	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.8	178.2	-73.2	171.8	174.9	0	0	113.6	G58 Q315	E56-G58 VanDerWaalsContact C-N 3.25Å; E56-G58 PolarHBondContact O-N 2.99Å; E56-Q315 VanDerWaalsContact CD-NE2 3.32Å; E56-Q315 VanDerWaalsContact CG-OE1 3.24Å; E56-Q315 PolarHBondContact OE2-NE2 3.3Å
57	E	86.1	Confident	88.9	Confident	155 Å²	155	53 Å²	53	72%	0.724	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.8	176.2	-59.9	-177.4	176.6	0	0	112.7	N55 E59	N55-E57 PolarHBondContact O-N 2.96Å; N55-E57 PolarHBondContact OD1-N 3.36Å; E57-E59 VanDerWaalsContact C-N 3.3Å; E57-E59 HydrophobicContact CB-CG 4.25Å
58	G	86.5	Confident	89.5	Confident	39 Å²	39	50.8 Å²	50.8	40%	0.402	28%	0.276	S	S	.	.			trans	79.5	7.7	-178.8	0	0	0	0	0	114.3	N55 E56	N55-G58 PolarHBondContact O-N 2.88Å; N55-G58 PolarHBondContact OD1-N 3.03Å; E56-G58 VanDerWaalsContact C-N 3.25Å; E56-G58 PolarHBondContact O-N 2.99Å
59	E	90.4	Very high	90.3	Very high	57 Å²	57	46.7 Å²	46.7	27%	0.266	25%	0.254	S	S	.	.			trans	-74.7	132.7	176.1	-52.7	-172.3	119.4	0	0	110.4	Q54 N55 E57 Q136 K314	Q54-E59 CarbonylContact C-O 3.51Å; Q54-E59 WeakPolarHBondContact CA-O 3.44Å; Q54-E59 WeakPolarHBondContact CB-O 3.22Å; N55-E59 PolarHBondContact N-O 2.9Å; N55-E59 PolarHBondContact ND2-OE2 2.87Å; N55-E59 WeakPolarHBondContact OD1-CA 3.43Å; N55-E59 VanDerWaalsContact OD1-CB 3.3Å; N55-E59 WeakPolarHBondContact OD1-CB 3.3Å; N55-E59 PolarHBondContact OD1-N 3Å; N55-E59 PolarHBondContact OD1-O 2.82Å; E57-E59 VanDerWaalsContact C-N 3.3Å; E57-E59 HydrophobicContact CB-CG 4.25Å; E59-Q136 PolarHBondContact OE1-NE2 2.99Å; E59-Q136 VanDerWaalsContact OE1-NE2 3.15Å; E59-K314 IonicContact OE1-NZ 3.47Å; E59-K314 IonicContact OE2-NZ 2.84Å; E59-K314 PolarHBondContact OE2-NZ 3.36Å
60	T	93.6	Very high	91.2	Very high	31 Å²	31	46.2 Å²	46.2	19%	0.19	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-66.5	138.8	177.7	-61.3	0	0	0	0	110.7	L43 A52 L53 H63	L43-T60 HydrophobicContact CD2-CG2 3.63Å; A52-T60 HydrophobicContact CB-CG2 3.95Å; L53-T60 CarbonylContact O-C 3.59Å; L53-T60 WeakPolarHBondContact O-CA 3.02Å; T60-H63 PolarHBondContact O-CE1 3.38Å
61	T	95.3	Very high	92.3	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.031	23%	0.225	C	C	.	.			trans	-123.8	2.7	-179.9	59.5	0	0	0	0	113	L53 N55 H63 L64 M65 K314 F316	L53-T61 PolarHBondContact O-N 3.07Å; L53-T61 PolarHBondContact O-OG1 3.15Å; N55-T61 HydrophobicContact CB-CG2 4.32Å; T61-H63 PolarHBondContact O-N 2.95Å; T61-L64 PolarHBondContact O-N 2.96Å; T61-L64 VanDerWaalsContact O-N 3.16Å; T61-M65 PolarHBondContact O-N 3.43Å; T61-M65 VanDerWaalsContact O-N 3.12Å; T61-K314 HydrophobicContact CG2-CB 4.39Å; T61-K314 HydrophobicContact CG2-CD 4.49Å; T61-F316 HydrophobicContact CG2-CE2 4.38Å
62	S	95.6	Very high	93	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-37.3	-173.5	-60.8	0	0	0	0	113.1	V46 L53 G66	V46-S62 WeakPolarHBondContact O-CB 3.39Å; V46-S62 PolarHBondContact O-OG 3.43Å; L53-S62 WeakPolarHBondContact CB-OG 3.35Å; L53-S62 PolarHBondContact N-OG 3.25Å; L53-S62 PolarHBondContact O-OG 3.13Å; S62-G66 PolarHBondContact O-N 3.27Å
63	H	96.9	Very high	93.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.3	-39.3	175.1	56.9	-67.1	0	0	0	112.2	I39 L43 T60 T61 M67 H137 E140	I39-H63 HydrophobicContact CG2-CB 3.89Å; L43-H63 HydrophobicContact CD2-CB 4.09Å; L43-H63 HydrophobicContact CG-CB 4.41Å; T60-H63 PolarHBondContact O-CE1 3.38Å; T61-H63 PolarHBondContact O-N 2.95Å; H63-M67 WeakPolarHBondContact O-CB 3.14Å; H63-M67 PolarHBondContact O-N 3.49Å; H63-H137 PolarHBondContact CD2-O 3.07Å; H63-H137 AromaticContact CE1-CD2 3.37Å; H63-H137 PolarHBondContact CE1-CD2 3.27Å; H63-H137 AromaticContact ND1-CD2 3.69Å; H63-H137 AromaticContact NE2-CD2 3.75Å; H63-E140 IonicContact CD2-OE2 3.97Å; H63-E140 IonicContact CE1-OE2 2.65Å; H63-E140 PolarHBondContact CE1-OE2 3.36Å; H63-E140 VanDerWaalsContact CE1-OE2 3.27Å; H63-E140 IonicContact NE2-OE2 3.79Å; H63-E140 PolarHBondContact NE2-OE2 2.89Å
64	L	97.9	Very high	94.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.6	-45.8	177.7	-59.9	179	0	0	0	111.6	T61 G66 M67 F68 E140 L144 F309 M310 K314 F316	T61-L64 PolarHBondContact O-N 2.96Å; T61-L64 VanDerWaalsContact O-N 3.16Å; L64-G66 VanDerWaalsContact C-N 3.35Å; L64-G66 PolarHBondContact O-N 3.19Å; L64-M67 PolarHBondContact O-N 3.2Å; L64-F68 WeakPolarHBondContact O-CB 3.48Å; L64-F68 PolarHBondContact O-N 3.12Å; L64-E140 HydrophobicContact CD2-CB 3.91Å; L64-L144 HydrophobicContact CB-CD2 4.3Å; L64-L144 HydrophobicContact CD2-CB 4.27Å; L64-L144 HydrophobicContact CD2-CD2 3.96Å; L64-F309 HydrophobicContact CD1-CE1 4.27Å; L64-F309 HydrophobicContact CD1-CZ 4.01Å; L64-F309 HydrophobicContact CD2-CE1 4.22Å; L64-F309 HydrophobicContact CD2-CZ 4.3Å; L64-M310 HydrophobicContact CB-CE 4.12Å; L64-M310 HydrophobicContact CB-SD 4.21Å; L64-M310 HydrophobicContact CD1-SD 4.41Å; L64-K314 HydrophobicContact CD1-CB 4.28Å; L64-K314 HydrophobicContact CD1-CD 4.1Å; L64-K314 HydrophobicContact CD1-CG 3.72Å; L64-F316 HydrophobicContact CB-CE2 4.1Å; L64-F316 HydrophobicContact CB-CZ 4.25Å; L64-F316 HydrophobicContact CD1-CE2 4.39Å
65	M	95.8	Very high	94.4	Very high	54 Å²	54	31.9 Å²	31.9	27%	0.266	16%	0.159	S	C	.	.	H	α-helix	trans	-63.5	-43.8	178	-167.7	166.6	74.8	0	0	111.6	V46 L53 T61 Y69 F316	V46-M65 HydrophobicContact CG1-CB 4.41Å; V46-M65 HydrophobicContact CG1-CE 3.19Å; L53-M65 HydrophobicContact CD1-CE 3.27Å; L53-M65 HydrophobicContact CD1-SD 4.02Å; T61-M65 PolarHBondContact O-N 3.43Å; T61-M65 VanDerWaalsContact O-N 3.12Å; M65-Y69 HydrophobicContact CG-CD2 3.62Å; M65-Y69 HydrophobicContact CG-CE2 3.72Å; M65-Y69 WeakPolarHBondContact O-CD2 3.39Å; M65-Y69 PolarHBondContact O-N 2.65Å; M65-Y69 HydrophobicContact SD-CE2 4.27Å; M65-F316 HydrophobicContact CB-CE1 3.82Å; M65-F316 HydrophobicContact CB-CZ 3.98Å; M65-F316 HydrophobicContact CG-CE1 4.18Å; M65-F316 HydrophobicContact SD-CE1 4.21Å
66	G	95.9	Very high	94.6	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-52.4	175.2	0	0	0	0	0	111.7	S62 L64 F68 R70	S62-G66 PolarHBondContact O-N 3.27Å; L64-G66 VanDerWaalsContact C-N 3.35Å; L64-G66 PolarHBondContact O-N 3.19Å; G66-F68 PolarHBondContact O-N 3.42Å; G66-R70 WeakPolarHBondContact O-CB 3.39Å; G66-R70 WeakPolarHBondContact O-CG 3.48Å; G66-R70 PolarHBondContact O-N 2.95Å
67	M	98.1	Very high	95.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59	-49.1	-179.3	-170.3	65.8	78	0	0	111.5	I39 F42 H63 L64 T71 Y83 C141 L144 L145	I39-M67 HydrophobicContact CD1-CE 4.39Å; I39-M67 HydrophobicContact CG1-CE 3.94Å; F42-M67 HydrophobicContact CD2-CB 4.48Å; F42-M67 HydrophobicContact CE2-CB 4.2Å; F42-M67 HydrophobicContact CE2-CE 4.29Å; F42-M67 HydrophobicContact CE2-SD 4.24Å; H63-M67 WeakPolarHBondContact O-CB 3.14Å; H63-M67 PolarHBondContact O-N 3.49Å; L64-M67 PolarHBondContact O-N 3.2Å; M67-T71 WeakPolarHBondContact O-CB 3.39Å; M67-T71 PolarHBondContact O-N 2.8Å; M67-T71 PolarHBondContact O-OG1 2.86Å; M67-Y83 HydrophobicContact CE-CD1 4.12Å; M67-Y83 HydrophobicContact CE-CE1 3.93Å; M67-Y83 HydrophobicContact SD-CD1 3.95Å; M67-Y83 HydrophobicContact SD-CD2 4.44Å; M67-Y83 HydrophobicContact SD-CE1 3.35Å; M67-Y83 WeakPolarHBondContact SD-CE1 3.36Å; M67-Y83 HydrophobicContact SD-CE2 3.92Å; M67-Y83 HydrophobicContact SD-CG 4.44Å; M67-C141 HydrophobicContact CE-CB 3.99Å; M67-L144 HydrophobicContact CB-CD2 3.93Å; M67-L144 HydrophobicContact CG-CD2 4.09Å; M67-L145 HydrophobicContact CG-CD2 4.01Å; M67-L145 HydrophobicContact CG-CG 4.28Å; M67-L145 HydrophobicContact SD-CD1 4.4Å; M67-L145 HydrophobicContact SD-CD2 4.03Å; M67-L145 HydrophobicContact SD-CG 4.43Å
68	F	98.1	Very high	95.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.1	-58.9	-178.4	-175.3	-109.5	0	0	0	112	L64 G66 T71 I72 L144 M148 M310 I321 I325	L64-F68 WeakPolarHBondContact O-CB 3.48Å; L64-F68 PolarHBondContact O-N 3.12Å; G66-F68 PolarHBondContact O-N 3.42Å; F68-T71 PolarHBondContact O-N 2.52Å; F68-I72 HydrophobicContact CD1-CD1 3.7Å; F68-I72 HydrophobicContact CD2-CD1 4.11Å; F68-I72 HydrophobicContact CE1-CD1 3.42Å; F68-I72 VanDerWaalsContact CE1-CD1 3.42Å; F68-I72 HydrophobicContact CE2-CD1 3.85Å; F68-I72 HydrophobicContact CG-CD1 4.05Å; F68-I72 HydrophobicContact CZ-CD1 3.51Å; F68-I72 WeakPolarHBondContact O-CD1 3.41Å; F68-I72 VanDerWaalsContact O-CG1 3.26Å; F68-I72 WeakPolarHBondContact O-CG1 3.38Å; F68-I72 PolarHBondContact O-N 3.06Å; F68-L144 HydrophobicContact CB-CD2 4.15Å; F68-L144 HydrophobicContact CD2-CD1 4.18Å; F68-M148 HydrophobicContact CD2-CE 3.82Å; F68-M148 HydrophobicContact CD2-CG 4.36Å; F68-M148 HydrophobicContact CD2-SD 3.75Å; F68-M148 HydrophobicContact CE2-CE 4.3Å; F68-M148 HydrophobicContact CE2-SD 4.47Å; F68-M310 HydrophobicContact CB-CE 4.3Å; F68-M310 HydrophobicContact CG-CE 4.41Å; F68-I321 HydrophobicContact CD1-CD1 4.18Å; F68-I321 HydrophobicContact CE1-CD1 3.86Å; F68-I321 HydrophobicContact CZ-CD1 4.26Å; F68-I321 HydrophobicContact CZ-CG2 4.26Å; F68-I325 HydrophobicContact CE2-CG1 4.35Å; F68-I325 HydrophobicContact CZ-CG1 4.16Å
69	Y	96.8	Very high	95.9	Very high	63 Å²	63	19 Å²	19	25%	0.247	9%	0.092	C	C	.	.	H	α-helix	trans	-74.2	-31.7	-173.3	-73.1	-66.7	0	0	0	113.7	M65 R73	M65-Y69 HydrophobicContact CG-CD2 3.62Å; M65-Y69 HydrophobicContact CG-CE2 3.72Å; M65-Y69 WeakPolarHBondContact O-CD2 3.39Å; M65-Y69 PolarHBondContact O-N 2.65Å; M65-Y69 HydrophobicContact SD-CE2 4.27Å; Y69-R73 WeakPolarHBondContact O-CB 3.49Å; Y69-R73 PolarHBondContact O-N 2.8Å
70	R	96.6	Very high	96.3	Very high	39 Å²	39	19.1 Å²	19.1	15%	0.147	9%	0.091	C	C	.	.	H	α-helix	trans	-69.4	-40.7	175.8	-64.1	-66.8	177	-114.1	-16.2	111.2	F42 G66 R73 M74 T195 A196 S197	F42-R70 HydrophobicContact CE1-CB 4.39Å; F42-R70 HydrophobicContact CE1-CG 3.66Å; F42-R70 HydrophobicContact CZ-CB 4.06Å; F42-R70 HydrophobicContact CZ-CG 3.83Å; G66-R70 WeakPolarHBondContact O-CB 3.39Å; G66-R70 WeakPolarHBondContact O-CG 3.48Å; G66-R70 PolarHBondContact O-N 2.95Å; R70-R73 PolarHBondContact O-N 2.8Å; R70-M74 WeakPolarHBondContact O-CE 3.15Å; R70-M74 WeakPolarHBondContact O-CG 3.43Å; R70-M74 PolarHBondContact O-N 2.94Å; R70-T195 VanDerWaalsContact CD-O 3.26Å; R70-T195 WeakPolarHBondContact CD-O 3.28Å; R70-T195 PolarHBondContact NE-O 2.84Å; R70-A196 PolarHBondContact NE-O 2.95Å; R70-S197 PolarHBondContact NH2-OG 3.47Å
71	T	98	Very high	96.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.7	-46.4	175.1	-57.5	0	0	0	0	111.3	M67 F68 R73 M74 V75 P81 Y83 M148 I150	M67-T71 WeakPolarHBondContact O-CB 3.39Å; M67-T71 PolarHBondContact O-N 2.8Å; M67-T71 PolarHBondContact O-OG1 2.86Å; F68-T71 PolarHBondContact O-N 2.52Å; T71-R73 VanDerWaalsContact C-N 3.34Å; T71-R73 PolarHBondContact O-N 2.92Å; T71-M74 PolarHBondContact O-N 3.1Å; T71-M74 VanDerWaalsContact O-N 3.14Å; T71-V75 HydrophobicContact CG2-CG2 4.43Å; T71-V75 WeakPolarHBondContact O-CG2 3.47Å; T71-V75 PolarHBondContact O-N 2.84Å; T71-P81 HydrophobicContact CG2-CG 4.15Å; T71-Y83 HydrophobicContact CG2-CE2 4.36Å; T71-Y83 WeakPolarHBondContact OG1-CE2 3.43Å; T71-Y83 PolarHBondContact OG1-OH 3.02Å; T71-M148 HydrophobicContact CG2-CE 3.82Å; T71-I150 HydrophobicContact CG2-CD1 4.06Å; T71-I150 HydrophobicContact CG2-CG1 3.75Å; T71-I150 HydrophobicContact CG2-CG2 4.35Å
72	I	96.9	Very high	96.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.7	-47.9	175.8	-69.7	165.5	0	0	0	111	F68 M74 V75 E76 M148 G324 R327 L328	F68-I72 HydrophobicContact CD1-CD1 3.7Å; F68-I72 HydrophobicContact CD2-CD1 4.11Å; F68-I72 HydrophobicContact CE1-CD1 3.42Å; F68-I72 VanDerWaalsContact CE1-CD1 3.42Å; F68-I72 HydrophobicContact CE2-CD1 3.85Å; F68-I72 HydrophobicContact CG-CD1 4.05Å; F68-I72 HydrophobicContact CZ-CD1 3.51Å; F68-I72 WeakPolarHBondContact O-CD1 3.41Å; F68-I72 VanDerWaalsContact O-CG1 3.26Å; F68-I72 WeakPolarHBondContact O-CG1 3.38Å; F68-I72 PolarHBondContact O-N 3.06Å; I72-M74 VanDerWaalsContact C-N 3.29Å; I72-M74 PolarHBondContact O-N 3.45Å; I72-V75 PolarHBondContact O-N 3.42Å; I72-E76 HydrophobicContact CG2-CG 4.18Å; I72-E76 WeakPolarHBondContact O-CB 3.33Å; I72-E76 WeakPolarHBondContact O-CG 3.44Å; I72-E76 PolarHBondContact O-N 3.24Å; I72-M148 HydrophobicContact CG1-CE 3.97Å; I72-G324 WeakPolarHBondContact CD1-O 3.18Å; I72-R327 HydrophobicContact CG2-CB 4.09Å; I72-L328 HydrophobicContact CG1-CB 4.24Å; I72-L328 HydrophobicContact CG1-CD1 4.38Å
73	R	96.1	Very high	96.8	Very high	27 Å²	27	17.4 Å²	17.4	10%	0.102	8%	0.081	C	C	.	.	H	α-helix	trans	-56.6	-43	177.6	177.7	-172.5	173	-133.6	-0.9	111.9	I23 Y69 R70 T71 N77 A196	I23-R73 HydrophobicContact CD1-CG 4.27Å; Y69-R73 WeakPolarHBondContact O-CB 3.49Å; Y69-R73 PolarHBondContact O-N 2.8Å; R70-R73 PolarHBondContact O-N 2.8Å; T71-R73 VanDerWaalsContact C-N 3.34Å; T71-R73 PolarHBondContact O-N 2.92Å; R73-N77 PolarHBondContact O-N 3.39Å; R73-N77 PolarHBondContact O-ND2 2.89Å; R73-A196 PolarHBondContact NH1-O 2.78Å
74	M	96.8	Very high	96.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-64.1	-48.3	178.4	-73	-176.1	-70.3	0	0	111.2	I23 I33 R70 T71 I72 E76 N77 G78 I79 P81 Y83 L194	I23-M74 HydrophobicContact CD1-CG 4.5Å; I33-M74 HydrophobicContact CD1-CE 3.39Å; I33-M74 HydrophobicContact CD1-SD 3.43Å; I33-M74 WeakPolarHBondContact CD1-SD 3.43Å; R70-M74 WeakPolarHBondContact O-CE 3.15Å; R70-M74 WeakPolarHBondContact O-CG 3.43Å; R70-M74 PolarHBondContact O-N 2.94Å; T71-M74 PolarHBondContact O-N 3.1Å; T71-M74 VanDerWaalsContact O-N 3.14Å; I72-M74 VanDerWaalsContact C-N 3.29Å; I72-M74 PolarHBondContact O-N 3.45Å; M74-E76 VanDerWaalsContact C-N 3.34Å; M74-E76 PolarHBondContact O-N 2.78Å; M74-N77 CarbonylContact O-C 3.03Å; M74-N77 PolarHBondContact O-N 3.02Å; M74-N77 VanDerWaalsContact O-N 3.09Å; M74-G78 PolarHBondContact O-N 2.97Å; M74-I79 HydrophobicContact CB-CB 4.13Å; M74-I79 HydrophobicContact CB-CG2 4.4Å; M74-I79 WeakPolarHBondContact O-CB 3.06Å; M74-I79 PolarHBondContact O-N 2.92Å; M74-P81 HydrophobicContact CE-CB 4.19Å; M74-P81 HydrophobicContact SD-CB 4.47Å; M74-Y83 WeakPolarHBondContact CE-OH 3.22Å; M74-L194 HydrophobicContact CG-CD1 4.39Å; M74-L194 HydrophobicContact CG-CG 4.43Å; M74-L194 HydrophobicContact SD-CD1 4.33Å; M74-L194 HydrophobicContact SD-CD2 3.84Å; M74-L194 HydrophobicContact SD-CG 3.77Å
75	V	96.4	Very high	96.9	Very high	12 Å²	12	17.5 Å²	17.5	7%	0.073	8%	0.081	C	C	.	.	H	α-helix	trans	-64.5	-37.9	-179.7	179.1	0	0	0	0	111.8	T71 I72 N77 G78 I79 P81 I150 L328 R332	T71-V75 HydrophobicContact CG2-CG2 4.43Å; T71-V75 WeakPolarHBondContact O-CG2 3.47Å; T71-V75 PolarHBondContact O-N 2.84Å; I72-V75 PolarHBondContact O-N 3.42Å; V75-N77 PolarHBondContact O-N 3.05Å; V75-G78 WeakPolarHBondContact O-CA 3.24Å; V75-G78 PolarHBondContact O-N 3.47Å; V75-I79 WeakPolarHBondContact CA-O 3.2Å; V75-P81 HydrophobicContact CG2-CG 4.15Å; V75-I150 HydrophobicContact CG2-CD1 4.05Å; V75-L328 HydrophobicContact CB-CD1 3.93Å; V75-L328 HydrophobicContact CG1-CD1 3.87Å; V75-L328 HydrophobicContact CG2-CD1 3.99Å; V75-R332 HydrophobicContact CG1-CG 4.34Å
76	E	94.5	Very high	97	Very high	70 Å²	70	17.7 Å²	17.7	33%	0.327	8%	0.083	S	C	.	.	H	α-helix	trans	-61.1	-31.1	173.4	-79.4	-179	139	0	0	113.4	I72 M74 G78 R327 S331	I72-E76 HydrophobicContact CG2-CG 4.18Å; I72-E76 WeakPolarHBondContact O-CB 3.33Å; I72-E76 WeakPolarHBondContact O-CG 3.44Å; I72-E76 PolarHBondContact O-N 3.24Å; M74-E76 VanDerWaalsContact C-N 3.34Å; M74-E76 PolarHBondContact O-N 2.78Å; E76-G78 PolarHBondContact O-N 3.35Å; E76-R327 VanDerWaalsContact CD-NH2 3.3Å; E76-R327 WeakPolarHBondContact OE1-CB 3.49Å; E76-R327 IonicContact OE1-CZ 3.56Å; E76-R327 IonicContact OE1-NE 3.7Å; E76-R327 PolarHBondContact OE1-NE 3.37Å; E76-R327 IonicContact OE1-NH2 2.67Å; E76-R327 PolarHBondContact OE1-NH2 3.41Å; E76-R327 IonicContact OE2-CZ 3.58Å; E76-R327 IonicContact OE2-NE 2.89Å; E76-R327 IonicContact OE2-NH2 2.59Å; E76-R327 PolarHBondContact OE2-NH2 2.89Å; E76-S331 WeakPolarHBondContact CA-OG 3.26Å; E76-S331 VanDerWaalsContact CG-OG 3.25Å; E76-S331 WeakPolarHBondContact CG-OG 3.33Å
77	N	94.3	Very high	97	Very high	28 Å²	28	19.3 Å²	19.3	15%	0.15	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	10.6	173.8	-72.6	-83.2	0	0	0	112.4	I23 K24 F27 R73 M74 V75 I79	I23-N77 HydrophobicContact CG1-CB 4.15Å; K24-N77 WeakPolarHBondContact CG-OD1 3.43Å; F27-N77 WeakPolarHBondContact CA-O 3.38Å; R73-N77 PolarHBondContact O-N 3.39Å; R73-N77 PolarHBondContact O-ND2 2.89Å; M74-N77 CarbonylContact O-C 3.03Å; M74-N77 PolarHBondContact O-N 3.02Å; M74-N77 VanDerWaalsContact O-N 3.09Å; V75-N77 PolarHBondContact O-N 3.05Å; N77-I79 VanDerWaalsContact C-N 3.25Å; N77-I79 PolarHBondContact O-N 3.37Å
78	G	94.4	Very high	96.8	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	11.4	178.7	0	0	0	0	0	114.6	G28 M74 V75 E76	G28-G78 WeakPolarHBondContact CA-O 3.31Å; G28-G78 PolarHBondContact N-O 3.13Å; M74-G78 PolarHBondContact O-N 2.97Å; V75-G78 WeakPolarHBondContact O-CA 3.24Å; V75-G78 PolarHBondContact O-N 3.47Å; E76-G78 PolarHBondContact O-N 3.35Å
79	I	96.7	Very high	96.6	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	15%	0.153	C	C	.	.			trans	-75.9	139.1	173.4	-58.6	174.7	0	0	0	108.2	I23 V31 M74 V75 N77 P81 L194	I23-I79 HydrophobicContact CD1-CD1 4.16Å; I23-I79 HydrophobicContact CG1-CD1 3.68Å; V31-I79 HydrophobicContact CB-CG2 4.25Å; V31-I79 HydrophobicContact CG2-CG2 3.91Å; M74-I79 HydrophobicContact CB-CB 4.13Å; M74-I79 HydrophobicContact CB-CG2 4.4Å; M74-I79 WeakPolarHBondContact O-CB 3.06Å; M74-I79 PolarHBondContact O-N 2.92Å; V75-I79 WeakPolarHBondContact CA-O 3.2Å; N77-I79 VanDerWaalsContact C-N 3.25Å; N77-I79 PolarHBondContact O-N 3.37Å; I79-P81 WeakPolarHBondContact O-CD 3.4Å; I79-L194 HydrophobicContact CD1-CD1 3.81Å
80	K	97.6	Very high	96.6	Very high	58 Å²	58	28.5 Å²	28.5	25%	0.252	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	89.4	176	-64.2	-179.6	-176.3	177.7	0	108.8	R29 K30 V31 W298 T336	R29-K80 PolarHBondContact O-N 2.93Å; K30-K80 VanDerWaalsContact CA-O 3.3Å; K30-K80 WeakPolarHBondContact CA-O 3.5Å; K30-K80 HydrophobicContact CB-CB 4.5Å; K30-K80 HydrophobicContact CG-CB 3.97Å; K30-K80 HydrophobicContact CG-CD 4.29Å; V31-K80 PolarHBondContact N-O 2.97Å; K80-W298 HydrophobicContact CB-CD2 4.24Å; K80-W298 HydrophobicContact CB-CH2 4.18Å; K80-W298 HydrophobicContact CB-CZ2 3.73Å; K80-W298 VanDerWaalsContact O-CZ2 3.31Å; K80-W298 WeakPolarHBondContact O-CZ2 3.09Å; K80-T336 PolarHBondContact NZ-OG1 2.74Å
81	P	98.4	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	138.7	-177	31.2	-35.6	0	0	0	111	V31 I33 T71 M74 V75 I79 Y83 I150 W298	V31-P81 WeakPolarHBondContact O-CA 3.41Å; I33-P81 HydrophobicContact CD1-CB 3.51Å; I33-P81 HydrophobicContact CG1-CB 4.37Å; T71-P81 HydrophobicContact CG2-CG 4.15Å; M74-P81 HydrophobicContact CE-CB 4.19Å; M74-P81 HydrophobicContact SD-CB 4.47Å; V75-P81 HydrophobicContact CG2-CG 4.15Å; I79-P81 WeakPolarHBondContact O-CD 3.4Å; P81-Y83 HydrophobicContact CB-CE2 4.24Å; P81-I150 HydrophobicContact CG-CG2 4.12Å; P81-I150 WeakPolarHBondContact O-CG2 3.21Å; P81-W298 VanDerWaalsContact O-CE2 3.31Å; P81-W298 WeakPolarHBondContact O-CZ2 3.33Å; P81-W298 PolarHBondContact O-NE1 3.03Å
82	V	98.7	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.6	160.2	53	0	0	0	0	107.7	V31 A32 I33 P151 V153 V172 L296 W298	V31-V82 PolarHBondContact O-N 3.16Å; A32-V82 CarbonylContact C-O 3.57Å; A32-V82 WeakPolarHBondContact CA-O 3.12Å; A32-V82 HydrophobicContact CB-CG1 3.98Å; I33-V82 PolarHBondContact N-O 2.78Å; V82-P151 WeakPolarHBondContact CA-O 3.26Å; V82-P151 HydrophobicContact CB-CG 4.19Å; V82-P151 HydrophobicContact CG2-CB 4.4Å; V82-P151 HydrophobicContact CG2-CG 4.34Å; V82-V153 HydrophobicContact CG2-CG2 3.96Å; V82-V172 HydrophobicContact CG1-CG1 3.87Å; V82-L296 HydrophobicContact CB-CD1 4.35Å; V82-L296 HydrophobicContact CB-CD2 4.11Å; V82-L296 HydrophobicContact CG1-CD1 3.96Å; V82-L296 HydrophobicContact CG1-CD2 4.4Å; V82-L296 HydrophobicContact CG2-CD2 3.6Å; V82-W298 HydrophobicContact CB-CZ2 4.26Å
83	Y	98.8	Very high	96.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.7	178.3	-78.5	-89.4	0	0	0	110.7	I33 A35 M67 T71 M74 P81 L145 I150 P151 Y152 V153	I33-Y83 HydrophobicContact CB-CD1 3.92Å; I33-Y83 HydrophobicContact CB-CE1 3.98Å; I33-Y83 HydrophobicContact CB-CG 4.44Å; I33-Y83 HydrophobicContact CD1-CE1 4.16Å; I33-Y83 HydrophobicContact CD1-CE2 4.21Å; I33-Y83 HydrophobicContact CG2-CD1 3.91Å; I33-Y83 HydrophobicContact CG2-CE1 3.62Å; I33-Y83 CarbonylContact O-C 3.51Å; I33-Y83 WeakPolarHBondContact O-CA 3.39Å; A35-Y83 HydrophobicContact CB-CD1 3.96Å; M67-Y83 HydrophobicContact CE-CD1 4.12Å; M67-Y83 HydrophobicContact CE-CE1 3.93Å; M67-Y83 HydrophobicContact SD-CD1 3.95Å; M67-Y83 HydrophobicContact SD-CD2 4.44Å; M67-Y83 HydrophobicContact SD-CE1 3.35Å; M67-Y83 WeakPolarHBondContact SD-CE1 3.36Å; M67-Y83 HydrophobicContact SD-CE2 3.92Å; M67-Y83 HydrophobicContact SD-CG 4.44Å; T71-Y83 HydrophobicContact CG2-CE2 4.36Å; T71-Y83 WeakPolarHBondContact OG1-CE2 3.43Å; T71-Y83 PolarHBondContact OG1-OH 3.02Å; M74-Y83 WeakPolarHBondContact CE-OH 3.22Å; P81-Y83 HydrophobicContact CB-CE2 4.24Å; Y83-L145 HydrophobicContact CD1-CD1 4.5Å; Y83-L145 HydrophobicContact CD2-CD1 3.72Å; Y83-L145 HydrophobicContact CD2-CD2 3.53Å; Y83-L145 HydrophobicContact CD2-CG 4.29Å; Y83-L145 HydrophobicContact CE2-CD2 3.64Å; Y83-L145 HydrophobicContact CG-CD1 3.7Å; Y83-L145 HydrophobicContact CG-CD2 4.32Å; Y83-I150 HydrophobicContact CD2-CG2 4.08Å; Y83-I150 HydrophobicContact CE2-CG2 4.34Å; Y83-P151 PolarHBondContact N-O 3.14Å; Y83-Y152 CarbonylContact O-C 3.25Å; Y83-Y152 WeakPolarHBondContact O-CA 3.37Å; Y83-Y152 WeakPolarHBondContact O-CB 3.26Å; Y83-V153 PolarHBondContact O-N 3.48Å
84	V	98.8	Very high	96.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.3	176.9	-172.8	0	0	0	0	108	A32 I33 A35 V153 A155 A159 C163 L166	A32-V84 HydrophobicContact CB-CG2 4.25Å; I33-V84 PolarHBondContact O-N 3.19Å; A35-V84 WeakPolarHBondContact CB-O 3.47Å; A35-V84 PolarHBondContact N-O 3Å; V84-V153 CarbonylContact C-O 3.6Å; V84-V153 WeakPolarHBondContact CA-O 3.41Å; V84-V153 HydrophobicContact CG2-CB 4.41Å; V84-A155 HydrophobicContact CG1-CB 4.11Å; V84-A159 HydrophobicContact CB-CB 4.24Å; V84-A159 HydrophobicContact CG1-CB 3.95Å; V84-A159 WeakPolarHBondContact O-CB 3.39Å; V84-C163 WeakPolarHBondContact CG2-SG 3.5Å; V84-L166 HydrophobicContact CG2-CD1 4.27Å
85	F	98.4	Very high	96	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	144	178.5	-70	-91.9	0	0	0	110.4	A35 I39 T138 C141 K142 L145 Y152 V153 A155	A35-F85 HydrophobicContact CB-CD1 3.58Å; A35-F85 HydrophobicContact CB-CD2 4.03Å; A35-F85 HydrophobicContact CB-CE1 3.64Å; A35-F85 HydrophobicContact CB-CE2 4.04Å; A35-F85 HydrophobicContact CB-CG 3.81Å; A35-F85 HydrophobicContact CB-CZ 3.87Å; I39-F85 HydrophobicContact CD1-CD1 4.49Å; I39-F85 HydrophobicContact CD1-CE1 3.83Å; F85-T138 HydrophobicContact CD1-CG2 3.61Å; F85-T138 HydrophobicContact CE1-CG2 3.93Å; F85-T138 HydrophobicContact CG-CG2 4.43Å; F85-C141 HydrophobicContact CE1-CB 4.23Å; F85-C141 HydrophobicContact CZ-CB 4.16Å; F85-K142 HydrophobicContact CD1-CG 4.48Å; F85-K142 HydrophobicContact CD2-CG 4.06Å; F85-K142 HydrophobicContact CE1-CG 4.04Å; F85-K142 HydrophobicContact CE2-CG 3.6Å; F85-K142 HydrophobicContact CG-CG 4.47Å; F85-K142 HydrophobicContact CZ-CG 3.59Å; F85-L145 HydrophobicContact CE2-CD1 3.89Å; F85-L145 HydrophobicContact CZ-CD1 3.89Å; F85-Y152 AromaticContact CD2-CD2 3.85Å; F85-Y152 HydrophobicContact CD2-CD2 3.85Å; F85-Y152 HydrophobicContact CD2-CG 4.19Å; F85-Y152 AromaticContact CE2-CD2 3.96Å; F85-Y152 HydrophobicContact CE2-CD2 3.96Å; F85-Y152 AromaticContact CE2-CG 3.89Å; F85-Y152 HydrophobicContact CE2-CG 3.89Å; F85-V153 PolarHBondContact N-O 2.96Å; F85-A155 WeakPolarHBondContact O-CB 3.22Å; F85-A155 PolarHBondContact O-N 3.24Å
86	D	97.1	Very high	95.8	Very high	59 Å²	59	42.3 Å²	42.3	32%	0.316	24%	0.236	S	C	.	.			trans	-62.7	146.9	174	-68.4	-36.7	0	0	0	111.7	S36 A159	S36-D86 WeakPolarHBondContact CB-OD2 3.34Å; S36-D86 PolarHBondContact OG-OD2 3.26Å; D86-A159 WeakPolarHBondContact OD1-CB 3.35Å; D86-A159 PolarHBondContact OD1-N 3.39Å
87	G	96	Very high	95.7	Very high	35 Å²	35	42 Å²	42	36%	0.361	24%	0.236	S	C	.	.			trans	-98.8	-134.2	163.8	0	0	0	0	0	111.4	A155 G157	G87-A155 WeakPolarHBondContact CA-O 3.38Å; G87-A155 PolarHBondContact N-O 3.05Å; G87-A155 VanDerWaalsContact N-O 3.15Å; G87-G157 PolarHBondContact N-O 2.91Å
88	K	94.4	Very high	95.7	Very high	165 Å²	165	43.5 Å²	43.5	72%	0.717	25%	0.252	S	S	*	.	S	Bend	trans	-81.9	124.4	-177.2	-175	178.7	177.4	-179.3	0	109.7	P156	K88-P156 PolarHBondContact N-O 3.46Å
89	P	93.9	Very high	95.7	Very high	63 Å²	63	46.9 Å²	46.9	41%	0.409	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-63.5	143.3	177.5	25.9	-33.9	0	0	0	110.9	L97	P89-L97 HydrophobicContact CB-CD1 4.32Å; P89-L97 HydrophobicContact CG-CD1 4.28Å
90	P	95.3	Very high	95.5	Very high	28 Å²	28	50.2 Å²	50.2	18%	0.182	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-65.8	148.2	177.1	27.5	-32.1	0	0	0	110.5	L92 K93 E158 Y234 L282	P90-L92 PolarHBondContact O-N 3.47Å; P90-L92 VanDerWaalsContact O-N 3.14Å; P90-K93 HydrophobicContact CG-CB 4.16Å; P90-K93 WeakPolarHBondContact O-CB 3.3Å; P90-K93 PolarHBondContact O-N 3.27Å; P90-E158 WeakPolarHBondContact CD-OE1 3.28Å; P90-E158 HydrophobicContact CG-CG 4.49Å; P90-Y234 HydrophobicContact CG-CD1 4.02Å; P90-Y234 HydrophobicContact CG-CE1 3.75Å; P90-L282 HydrophobicContact CB-CD1 3.91Å; P90-L282 HydrophobicContact CB-CD2 4.21Å; P90-L282 HydrophobicContact CG-CD1 4.3Å; P90-L282 HydrophobicContact CG-CD2 3.97Å
91	Q	95.1	Very high	95.3	Very high	173 Å²	173	51.1 Å²	51.1	81%	0.808	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-57.6	-32.7	-179.1	-69.4	-176.1	-7.9	0	0	112.7	K93 S94	Q91-K93 PolarHBondContact O-N 3.46Å; Q91-S94 WeakPolarHBondContact O-CB 3.45Å; Q91-S94 PolarHBondContact O-N 3.46Å; Q91-S94 PolarHBondContact O-OG 2.88Å
92	L	95.2	Very high	95.1	Very high	38 Å²	38	56.8 Å²	56.8	20%	0.199	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-59.4	-27.9	176.9	-68	176.2	0	0	0	113.2	P90 S94 Y234 L275 E278 L282	P90-L92 PolarHBondContact O-N 3.47Å; P90-L92 VanDerWaalsContact O-N 3.14Å; L92-S94 PolarHBondContact O-N 3.22Å; L92-Y234 WeakPolarHBondContact CB-O 3.25Å; L92-L275 HydrophobicContact CD2-CB 4.12Å; L92-L275 HydrophobicContact CD2-CD1 3.62Å; L92-E278 HydrophobicContact CD1-CB 3.89Å; L92-E278 HydrophobicContact CD2-CB 4.06Å; L92-L282 HydrophobicContact CD1-CB 4.21Å; L92-L282 HydrophobicContact CD1-CD2 4.21Å
93	K	95.2	Very high	94.9	Very high	16 Å²	16	63 Å²	63	7%	0.07	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-77.5	-7	178.1	-162.1	163.8	179.8	169.8	0	113.3	P90 Q91 G95 E96 L97 E158 Y234	P90-K93 HydrophobicContact CG-CB 4.16Å; P90-K93 WeakPolarHBondContact O-CB 3.3Å; P90-K93 PolarHBondContact O-N 3.27Å; Q91-K93 PolarHBondContact O-N 3.46Å; K93-G95 VanDerWaalsContact C-N 3.28Å; K93-G95 PolarHBondContact O-N 3.04Å; K93-E96 PolarHBondContact O-N 3.02Å; K93-E96 VanDerWaalsContact O-N 3.15Å; K93-L97 HydrophobicContact CG-CG 4.27Å; K93-L97 WeakPolarHBondContact O-CG 3.28Å; K93-L97 PolarHBondContact O-N 3.18Å; K93-E158 WeakPolarHBondContact CD-OE1 3.2Å; K93-E158 WeakPolarHBondContact CE-OE1 3.37Å; K93-E158 IonicContact NZ-OE1 2.76Å; K93-E158 PolarHBondContact NZ-OE1 2.95Å; K93-E158 IonicContact NZ-OE2 2.75Å; K93-E158 PolarHBondContact NZ-OE2 3.21Å; K93-Y234 HydrophobicContact CB-CD1 4.05Å; K93-Y234 HydrophobicContact CB-CE1 4.25Å; K93-Y234 HydrophobicContact CD-CD1 4.5Å; K93-Y234 HydrophobicContact CD-CE1 3.94Å; K93-Y234 HydrophobicContact CG-CD1 4.48Å; K93-Y234 HydrophobicContact CG-CE1 4.4Å
94	S	94.1	Very high	94.6	Very high	76 Å²	76	66.4 Å²	66.4	53%	0.531	35%	0.35	S	S	.	.	H	α-helix	trans	-56.3	-38.4	-177.4	57.9	0	0	0	0	113.5	Q91 L92 L97 A98	Q91-S94 WeakPolarHBondContact O-CB 3.45Å; Q91-S94 PolarHBondContact O-N 3.46Å; Q91-S94 PolarHBondContact O-OG 2.88Å; L92-S94 PolarHBondContact O-N 3.22Å; S94-L97 PolarHBondContact O-N 2.98Å; S94-A98 PolarHBondContact O-N 3.18Å
95	G	92.6	Very high	94.3	Very high	36 Å²	36	68.7 Å²	68.7	37%	0.371	37%	0.369	S	S	.	.	H	α-helix	trans	-62.4	-46.4	176.2	0	0	0	0	0	112.7	K93 A98 K99	K93-G95 VanDerWaalsContact C-N 3.28Å; K93-G95 PolarHBondContact O-N 3.04Å; G95-A98 WeakPolarHBondContact O-CB 3.47Å; G95-A98 PolarHBondContact O-N 2.85Å; G95-K99 WeakPolarHBondContact O-CG 3.34Å; G95-K99 PolarHBondContact O-N 3.45Å
96	E	93	Very high	94.2	Very high	31 Å²	31	73.3 Å²	73.3	15%	0.145	39%	0.39	C	S	.	.	H	α-helix	trans	-67	-37.3	176.2	176.1	55.6	-157.9	0	0	111.7	K93 A98 K99 R100 R103 D233	K93-E96 PolarHBondContact O-N 3.02Å; K93-E96 VanDerWaalsContact O-N 3.15Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 2.87Å; E96-K99 PolarHBondContact O-N 2.92Å; E96-R100 HydrophobicContact CG-CG 4.47Å; E96-R100 WeakPolarHBondContact O-CB 3.31Å; E96-R100 VanDerWaalsContact O-CG 3.29Å; E96-R100 WeakPolarHBondContact O-CG 3.41Å; E96-R100 PolarHBondContact O-N 3.22Å; E96-R100 WeakPolarHBondContact OE1-CG 3.48Å; E96-R100 IonicContact OE1-CZ 3.39Å; E96-R100 IonicContact OE1-NE 3.94Å; E96-R100 PolarHBondContact OE1-NE 3.43Å; E96-R100 IonicContact OE1-NH2 3.57Å; E96-R103 IonicContact OE1-CZ 3.92Å; E96-R103 IonicContact OE1-NH2 2.71Å; E96-R103 PolarHBondContact OE1-NH2 3.48Å; E96-R103 IonicContact OE2-NH2 3.75Å; E96-D233 HydrophobicContact CB-CB 4.32Å; E96-D233 WeakPolarHBondContact CB-O 3.45Å; E96-D233 HydrophobicContact CG-CB 4.04Å
97	L	92.5	Very high	94	Very high	64 Å²	64	70.6 Å²	70.6	34%	0.335	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-37.8	174.2	-66.8	176.3	0	0	0	112.3	P89 K93 S94 R100 T101	P89-L97 HydrophobicContact CB-CD1 4.32Å; P89-L97 HydrophobicContact CG-CD1 4.28Å; K93-L97 HydrophobicContact CG-CG 4.27Å; K93-L97 WeakPolarHBondContact O-CG 3.28Å; K93-L97 PolarHBondContact O-N 3.18Å; S94-L97 PolarHBondContact O-N 2.98Å; L97-R100 PolarHBondContact O-N 3.28Å; L97-T101 PolarHBondContact O-N 3.45Å; L97-T101 VanDerWaalsContact O-N 3.08Å; L97-T101 PolarHBondContact O-OG1 2.87Å
98	A	94.2	Very high	93.9	Very high	58 Å²	58	73.9 Å²	73.9	48%	0.479	38%	0.382	S	S	.	.	H	α-helix	trans	-64.7	-48.9	173.3	0	0	0	0	0	111.1	S94 G95 E96 R100 T101 E102	S94-A98 PolarHBondContact O-N 3.18Å; G95-A98 WeakPolarHBondContact O-CB 3.47Å; G95-A98 PolarHBondContact O-N 2.85Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 2.87Å; A98-R100 VanDerWaalsContact C-N 3.29Å; A98-R100 PolarHBondContact O-N 3.13Å; A98-T101 WeakPolarHBondContact O-CA 3.49Å; A98-T101 WeakPolarHBondContact O-CB 3.43Å; A98-T101 PolarHBondContact O-N 2.96Å; A98-E102 PolarHBondContact O-N 2.9Å
99	K	93.4	Very high	93.9	Very high	81 Å²	81	72.6 Å²	72.6	35%	0.352	38%	0.376	S	S	.	.	H	α-helix	trans	-58.8	-37.4	174.9	-69.2	175.5	-173.9	174.5	0	112.6	G95 E96 T101 R103 E236	G95-K99 WeakPolarHBondContact O-CG 3.34Å; G95-K99 PolarHBondContact O-N 3.45Å; E96-K99 PolarHBondContact O-N 2.92Å; K99-T101 VanDerWaalsContact C-N 3.26Å; K99-T101 PolarHBondContact O-N 3.01Å; K99-R103 WeakPolarHBondContact O-CB 3.47Å; K99-R103 WeakPolarHBondContact O-CG 3.5Å; K99-R103 PolarHBondContact O-N 3.41Å; K99-R103 PolarHBondContact O-NE 3.35Å; K99-E236 IonicContact NZ-OE1 2.67Å; K99-E236 PolarHBondContact NZ-OE1 3.05Å; K99-E236 IonicContact NZ-OE2 3.49Å; K99-E236 PolarHBondContact NZ-OE2 3.49Å
100	R	92	Very high	93.9	Very high	72 Å²	72	73.2 Å²	73.2	27%	0.272	37%	0.374	S	S	.	.	H	α-helix	trans	-67.3	-27.9	173.9	-74	177.7	-173.6	-165.1	5.1	112.4	E96 L97 A98 R103 R104 D233	E96-R100 HydrophobicContact CG-CG 4.47Å; E96-R100 WeakPolarHBondContact O-CB 3.31Å; E96-R100 VanDerWaalsContact O-CG 3.29Å; E96-R100 WeakPolarHBondContact O-CG 3.41Å; E96-R100 PolarHBondContact O-N 3.22Å; E96-R100 WeakPolarHBondContact OE1-CG 3.48Å; E96-R100 IonicContact OE1-CZ 3.39Å; E96-R100 IonicContact OE1-NE 3.94Å; E96-R100 PolarHBondContact OE1-NE 3.43Å; E96-R100 IonicContact OE1-NH2 3.57Å; L97-R100 PolarHBondContact O-N 3.28Å; A98-R100 VanDerWaalsContact C-N 3.29Å; A98-R100 PolarHBondContact O-N 3.13Å; R100-R103 VanDerWaalsContact CG-NH2 3.26Å; R100-R104 WeakPolarHBondContact O-CG 3.48Å; R100-R104 PolarHBondContact O-N 2.79Å; R100-R104 PolarHBondContact O-NE 3.02Å; R100-D233 IonicContact CZ-OD2 2.99Å; R100-D233 IonicContact NH2-OD2 3.91Å; R100-D233 PolarHBondContact NH2-OD2 2.91Å
101	T	93.5	Very high	93.8	Very high	76 Å²	76	72.9 Å²	72.9	47%	0.466	37%	0.37	S	S	.	.	H	α-helix	trans	-79.3	-43.5	177.6	-57.9	0	0	0	0	110.6	L97 A98 K99 R104 A105	L97-T101 PolarHBondContact O-N 3.45Å; L97-T101 VanDerWaalsContact O-N 3.08Å; L97-T101 PolarHBondContact O-OG1 2.87Å; A98-T101 WeakPolarHBondContact O-CA 3.49Å; A98-T101 WeakPolarHBondContact O-CB 3.43Å; A98-T101 PolarHBondContact O-N 2.96Å; K99-T101 VanDerWaalsContact C-N 3.26Å; K99-T101 PolarHBondContact O-N 3.01Å; T101-R104 WeakPolarHBondContact O-CB 3.35Å; T101-R104 PolarHBondContact O-N 2.98Å; T101-R104 VanDerWaalsContact O-N 3.15Å; T101-R104 PolarHBondContact OG1-NH2 3.15Å; T101-A105 PolarHBondContact O-N 3.02Å
102	E	95	Very high	93.7	Very high	119 Å²	119	69.5 Å²	69.5	56%	0.556	35%	0.354	S	S	*	.	H	α-helix	trans	-58.8	-50.8	173.7	-176.4	177.9	-157.6	0	0	111.9	A98 R104 A105 E106	A98-E102 PolarHBondContact O-N 2.9Å; E102-R104 PolarHBondContact O-N 3.47Å; E102-R104 VanDerWaalsContact O-N 3.11Å; E102-A105 WeakPolarHBondContact O-CB 3.45Å; E102-A105 PolarHBondContact O-N 2.77Å; E102-E106 PolarHBondContact O-N 3.18Å
103	R	93.5	Very high	93.6	Very high	131 Å²	131	73.3 Å²	73.3	49%	0.494	37%	0.371	S	S	.	.	H	α-helix	trans	-57.3	-29.3	175.6	-76.3	-177.3	-71.2	-177.7	-4.9	113.5	E96 K99 R100 A107	E96-R103 IonicContact OE1-CZ 3.92Å; E96-R103 IonicContact OE1-NH2 2.71Å; E96-R103 PolarHBondContact OE1-NH2 3.48Å; E96-R103 IonicContact OE2-NH2 3.75Å; K99-R103 WeakPolarHBondContact O-CB 3.47Å; K99-R103 WeakPolarHBondContact O-CG 3.5Å; K99-R103 PolarHBondContact O-N 3.41Å; K99-R103 PolarHBondContact O-NE 3.35Å; R100-R103 VanDerWaalsContact CG-NH2 3.26Å; R103-A107 VanDerWaalsContact O-CB 3.3Å; R103-A107 WeakPolarHBondContact O-CB 3.48Å; R103-A107 PolarHBondContact O-N 2.9Å; R103-A107 VanDerWaalsContact O-N 3.08Å
104	R	92.7	Very high	93.5	Very high	72 Å²	72	72.7 Å²	72.7	27%	0.272	37%	0.369	S	S	.	.	H	α-helix	trans	-75.3	-44.1	175.4	-86	-178.8	-81.2	134.5	-3	111.3	R100 T101 E102 E106 A107 E108 L130	R100-R104 WeakPolarHBondContact O-CG 3.48Å; R100-R104 PolarHBondContact O-N 2.79Å; R100-R104 PolarHBondContact O-NE 3.02Å; T101-R104 WeakPolarHBondContact O-CB 3.35Å; T101-R104 PolarHBondContact O-N 2.98Å; T101-R104 VanDerWaalsContact O-N 3.15Å; T101-R104 PolarHBondContact OG1-NH2 3.15Å; E102-R104 PolarHBondContact O-N 3.47Å; E102-R104 VanDerWaalsContact O-N 3.11Å; R104-E106 VanDerWaalsContact C-N 3.3Å; R104-E106 PolarHBondContact O-N 3.31Å; R104-A107 PolarHBondContact O-N 3.25Å; R104-A107 VanDerWaalsContact O-N 3.16Å; R104-E108 WeakPolarHBondContact O-CB 3.01Å; R104-E108 PolarHBondContact O-N 3.24Å; R104-L130 HydrophobicContact CB-CD2 4.42Å; R104-L130 VanDerWaalsContact O-CD2 3.27Å; R104-L130 WeakPolarHBondContact O-CD2 3.39Å
105	A	94.2	Very high	93.4	Very high	48 Å²	48	74.4 Å²	74.4	40%	0.397	37%	0.368	S	S	.	.	H	α-helix	trans	-60.3	-39.5	174.9	0	0	0	0	0	112.1	T101 E102 E108 K109	T101-A105 PolarHBondContact O-N 3.02Å; E102-A105 WeakPolarHBondContact O-CB 3.45Å; E102-A105 PolarHBondContact O-N 2.77Å; A105-E108 PolarHBondContact O-N 3.23Å; A105-K109 PolarHBondContact O-N 3.23Å
106	E	94.4	Very high	93.5	Very high	98 Å²	98	80.8 Å²	80.8	46%	0.458	39%	0.389	S	S	.	.	H	α-helix	trans	-65.9	-43.4	172.6	-68.7	-179.4	166	0	0	112.4	E102 R104 E108 K109 H110	E102-E106 PolarHBondContact O-N 3.18Å; R104-E106 VanDerWaalsContact C-N 3.3Å; R104-E106 PolarHBondContact O-N 3.31Å; E106-E108 PolarHBondContact O-N 2.75Å; E106-K109 PolarHBondContact O-N 3.08Å; E106-H110 PolarHBondContact O-N 2.8Å; E106-H110 VanDerWaalsContact O-N 3.1Å; E106-H110 PolarHBondContact O-ND1 3.4Å
107	A	92.9	Very high	93.5	Very high	2 Å²	2	82.4 Å²	82.4	2%	0.017	41%	0.407	C	S	.	.	H	α-helix	trans	-64.1	-30.2	177.3	0	0	0	0	0	112.6	R103 R104 L111 F126 R129 L130	R103-A107 VanDerWaalsContact O-CB 3.3Å; R103-A107 WeakPolarHBondContact O-CB 3.48Å; R103-A107 PolarHBondContact O-N 2.9Å; R103-A107 VanDerWaalsContact O-N 3.08Å; R104-A107 PolarHBondContact O-N 3.25Å; R104-A107 VanDerWaalsContact O-N 3.16Å; A107-L111 WeakPolarHBondContact O-CB 3.31Å; A107-L111 PolarHBondContact O-N 2.78Å; A107-F126 HydrophobicContact CB-CD1 4.42Å; A107-R129 HydrophobicContact CB-CB 3.87Å; A107-L130 HydrophobicContact CB-CD2 4.01Å
108	E	94.3	Very high	93.5	Very high	105 Å²	105	81.9 Å²	81.9	49%	0.491	42%	0.417	S	S	.	.	H	α-helix	trans	-68.2	-43.6	176.4	-171.8	170.4	-166.6	0	0	111.4	R104 A105 E106 L111 Q112 L130	R104-E108 WeakPolarHBondContact O-CB 3.01Å; R104-E108 PolarHBondContact O-N 3.24Å; A105-E108 PolarHBondContact O-N 3.23Å; E106-E108 PolarHBondContact O-N 2.75Å; E108-L111 WeakPolarHBondContact O-CB 3.48Å; E108-L111 PolarHBondContact O-N 2.94Å; E108-Q112 PolarHBondContact O-N 2.67Å; E108-Q112 VanDerWaalsContact O-N 3.13Å; E108-L130 HydrophobicContact CB-CD1 4.36Å; E108-L130 HydrophobicContact CB-CD2 3.96Å; E108-L130 HydrophobicContact CG-CD1 4.49Å
109	K	94.6	Very high	93.4	Very high	137 Å²	137	83.8 Å²	83.8	60%	0.596	42%	0.416	S	S	*	.	H	α-helix	trans	-59.4	-50	173	-67.5	178.7	-179.2	-178.2	0	111.6	A105 E106 L111 Q112 E113	A105-K109 PolarHBondContact O-N 3.23Å; E106-K109 PolarHBondContact O-N 3.08Å; K109-L111 PolarHBondContact O-N 3.25Å; K109-Q112 PolarHBondContact O-N 2.9Å; K109-Q112 VanDerWaalsContact O-N 3.16Å; K109-E113 PolarHBondContact O-N 3.04Å; K109-E113 VanDerWaalsContact O-N 3.12Å
110	H	93.4	Very high	93.2	Very high	77 Å²	77	87.5 Å²	87.5	36%	0.356	44%	0.435	S	S	.	.	H	α-helix	trans	-65.1	-26.9	178.4	-61.7	148.9	0	0	0	113.2	E106 E113 A114 F126	E106-H110 PolarHBondContact O-N 2.8Å; E106-H110 VanDerWaalsContact O-N 3.1Å; E106-H110 PolarHBondContact O-ND1 3.4Å; H110-E113 IonicContact CD2-OE2 3.61Å; H110-A114 VanDerWaalsContact O-CB 3.27Å; H110-A114 WeakPolarHBondContact O-CB 3.26Å; H110-A114 PolarHBondContact O-N 2.92Å; H110-F126 HydrophobicContact CB-CD1 3.84Å; H110-F126 HydrophobicContact CB-CD2 3.86Å; H110-F126 HydrophobicContact CB-CE1 3.6Å; H110-F126 HydrophobicContact CB-CE2 3.62Å; H110-F126 HydrophobicContact CB-CG 3.99Å; H110-F126 HydrophobicContact CB-CZ 3.5Å; H110-F126 VanDerWaalsContact CB-CZ 3.5Å; H110-F126 AromaticContact ND1-CE1 3.76Å
111	L	93.2	Very high	93	Very high	20 Å²	20	90.5 Å²	90.5	11%	0.105	46%	0.457	C	S	.	.	H	α-helix	trans	-67.7	-43.7	173.9	179.6	61	0	0	0	111	A107 E108 K109 A114 Q115 I123 F126 L130	A107-L111 WeakPolarHBondContact O-CB 3.31Å; A107-L111 PolarHBondContact O-N 2.78Å; E108-L111 WeakPolarHBondContact O-CB 3.48Å; E108-L111 PolarHBondContact O-N 2.94Å; K109-L111 PolarHBondContact O-N 3.25Å; L111-A114 PolarHBondContact O-N 3.41Å; L111-Q115 HydrophobicContact CD1-CG 4.33Å; L111-Q115 WeakPolarHBondContact O-CB 3.31Å; L111-Q115 VanDerWaalsContact O-CG 3.27Å; L111-Q115 WeakPolarHBondContact O-CG 3.27Å; L111-Q115 PolarHBondContact O-N 3.36Å; L111-I123 HydrophobicContact CD1-CB 4.31Å; L111-I123 HydrophobicContact CD1-CG2 3.97Å; L111-I123 WeakPolarHBondContact CD1-O 3.26Å; L111-F126 HydrophobicContact CB-CB 3.86Å; L111-F126 HydrophobicContact CD1-CB 4.1Å; L111-L130 HydrophobicContact CB-CD1 4.5Å; L111-L130 HydrophobicContact CD2-CD1 3.43Å; L111-L130 VanDerWaalsContact CD2-CD1 3.43Å
112	Q	93.3	Very high	92.8	Very high	103 Å²	103	89.3 Å²	89.3	48%	0.481	45%	0.447	S	S	.	.	H	α-helix	trans	-61.4	-47.6	177.3	-69.1	173.6	-0.6	0	0	110.9	E108 K109 A114 Q115 E116	E108-Q112 PolarHBondContact O-N 2.67Å; E108-Q112 VanDerWaalsContact O-N 3.13Å; K109-Q112 PolarHBondContact O-N 2.9Å; K109-Q112 VanDerWaalsContact O-N 3.16Å; Q112-A114 VanDerWaalsContact C-N 3.33Å; Q112-A114 PolarHBondContact O-N 2.89Å; Q112-Q115 WeakPolarHBondContact O-CB 3.31Å; Q112-Q115 PolarHBondContact O-N 3.45Å; Q112-Q115 VanDerWaalsContact O-N 3.15Å; Q112-E116 WeakPolarHBondContact O-CG 3.46Å; Q112-E116 PolarHBondContact O-N 2.73Å
113	E	94.6	Very high	92.6	Very high	117 Å²	117	85.2 Å²	85.2	55%	0.547	43%	0.429	S	S	.	.	H	α-helix	trans	-58.4	-43.7	175.8	-67.6	170.3	-178.1	0	0	111.9	K109 H110 Q115 E116 A117	K109-E113 PolarHBondContact O-N 3.04Å; K109-E113 VanDerWaalsContact O-N 3.12Å; H110-E113 IonicContact CD2-OE2 3.61Å; E113-Q115 VanDerWaalsContact C-N 3.34Å; E113-Q115 PolarHBondContact O-N 3.31Å; E113-E116 PolarHBondContact O-N 2.84Å; E113-A117 WeakPolarHBondContact O-CB 3.46Å; E113-A117 PolarHBondContact O-N 2.86Å
114	A	92.7	Very high	92.3	Very high	3 Å²	3	82 Å²	82	3%	0.025	42%	0.42	C	S	.	.	H	α-helix	trans	-67.3	-33.7	178.1	0	0	0	0	0	112.8	H110 L111 Q112 G118 E119 N122 I123 F126	H110-A114 VanDerWaalsContact O-CB 3.27Å; H110-A114 WeakPolarHBondContact O-CB 3.26Å; H110-A114 PolarHBondContact O-N 2.92Å; L111-A114 PolarHBondContact O-N 3.41Å; Q112-A114 VanDerWaalsContact C-N 3.33Å; Q112-A114 PolarHBondContact O-N 2.89Å; A114-G118 PolarHBondContact O-N 3.39Å; A114-E119 PolarHBondContact O-N 3.06Å; A114-N122 HydrophobicContact CB-CB 3.8Å; A114-I123 HydrophobicContact CB-CG1 3.92Å; A114-F126 HydrophobicContact CB-CD2 4.31Å
115	Q	92.1	Very high	92.2	Very high	112 Å²	112	83.3 Å²	83.3	52%	0.523	43%	0.427	S	S	.	.	H	α-helix	trans	-67.9	-43.9	174.8	-76.3	173.8	-27.6	0	0	111.5	L111 Q112 E113 A117 G118 I123	L111-Q115 HydrophobicContact CD1-CG 4.33Å; L111-Q115 WeakPolarHBondContact O-CB 3.31Å; L111-Q115 VanDerWaalsContact O-CG 3.27Å; L111-Q115 WeakPolarHBondContact O-CG 3.27Å; L111-Q115 PolarHBondContact O-N 3.36Å; Q112-Q115 WeakPolarHBondContact O-CB 3.31Å; Q112-Q115 PolarHBondContact O-N 3.45Å; Q112-Q115 VanDerWaalsContact O-N 3.15Å; E113-Q115 VanDerWaalsContact C-N 3.34Å; E113-Q115 PolarHBondContact O-N 3.31Å; Q115-A117 VanDerWaalsContact C-N 3.32Å; Q115-A117 PolarHBondContact O-N 3.4Å; Q115-G118 PolarHBondContact O-N 3.11Å; Q115-I123 HydrophobicContact CG-CD1 4.1Å; Q115-I123 HydrophobicContact CG-CG1 4.02Å; Q115-I123 HydrophobicContact CG-CG2 4.4Å
116	E	93.9	Very high	92	Very high	170 Å²	170	82 Å²	82	79%	0.794	41%	0.413	S	S	*	.	H	α-helix	trans	-63.7	-38.1	175.6	-70.4	177.5	-177.2	0	0	112.1	Q112 E113 G118	Q112-E116 WeakPolarHBondContact O-CG 3.46Å; Q112-E116 PolarHBondContact O-N 2.73Å; E113-E116 PolarHBondContact O-N 2.84Å; E116-G118 VanDerWaalsContact C-N 3.33Å
117	A	93.6	Very high	91.8	Very high	65 Å²	65	78.4 Å²	78.4	54%	0.537	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.8	177.8	0	0	0	0	0	114.1	E113 Q115 E119	E113-A117 WeakPolarHBondContact O-CB 3.46Å; E113-A117 PolarHBondContact O-N 2.86Å; Q115-A117 VanDerWaalsContact C-N 3.32Å; Q115-A117 PolarHBondContact O-N 3.4Å; A117-E119 VanDerWaalsContact C-N 3.31Å; A117-E119 HydrophobicContact CB-CG 3.95Å; A117-E119 PolarHBondContact O-N 2.99Å
118	G	91.8	Very high	91.7	Very high	53 Å²	53	81.4 Å²	81.4	55%	0.546	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	25.8	-176.8	0	0	0	0	0	114.3	A114 Q115 E116 E120	A114-G118 PolarHBondContact O-N 3.39Å; Q115-G118 PolarHBondContact O-N 3.11Å; E116-G118 VanDerWaalsContact C-N 3.33Å; G118-E120 PolarHBondContact O-N 3.12Å; G118-E120 VanDerWaalsContact O-N 3.15Å
119	E	92.4	Very high	91.5	Very high	98 Å²	98	82.4 Å²	82.4	46%	0.458	41%	0.41	S	S	.	.			trans	-86.1	80.9	-176.4	-67.3	-172.7	164.5	0	0	112.1	A114 A117 N121 N122 I123	A114-E119 PolarHBondContact O-N 3.06Å; A117-E119 VanDerWaalsContact C-N 3.31Å; A117-E119 HydrophobicContact CB-CG 3.95Å; A117-E119 PolarHBondContact O-N 2.99Å; E119-N121 VanDerWaalsContact C-N 3.28Å; E119-N121 PolarHBondContact O-N 3.37Å; E119-N121 VanDerWaalsContact O-N 3.09Å; E119-N122 HydrophobicContact CB-CB 4.07Å; E119-N122 WeakPolarHBondContact O-CA 3.5Å; E119-N122 PolarHBondContact O-N 3.04Å; E119-N122 PolarHBondContact OE2-ND2 3.49Å; E119-I123 WeakPolarHBondContact O-CG1 3.35Å; E119-I123 PolarHBondContact O-N 3.47Å
120	E	88.3	Confident	91.2	Very high	159 Å²	159	78.3 Å²	78.3	74%	0.743	39%	0.394	S	S	*	.	H	α-helix	trans	-47.3	-44.2	-174.2	-66.2	-175.5	170.9	0	0	114.7	G118 N122 I123 E124	G118-E120 PolarHBondContact O-N 3.12Å; G118-E120 VanDerWaalsContact O-N 3.15Å; E120-N122 VanDerWaalsContact C-N 3.32Å; E120-N122 PolarHBondContact O-N 2.85Å; E120-I123 PolarHBondContact O-N 3.16Å; E120-E124 PolarHBondContact O-N 3.24Å
121	N	87.9	Confident	91.1	Very high	136 Å²	136	75.7 Å²	75.7	73%	0.727	38%	0.384	S	S	*	.	H	α-helix	trans	-62.2	-38.9	179	-72.2	-39.8	0	0	0	112.6	E119 K125	E119-N121 VanDerWaalsContact C-N 3.28Å; E119-N121 PolarHBondContact O-N 3.37Å; E119-N121 VanDerWaalsContact O-N 3.09Å; N121-K125 VanDerWaalsContact O-CB 3.3Å; N121-K125 WeakPolarHBondContact O-CB 3.26Å; N121-K125 PolarHBondContact O-N 3.25Å; N121-K125 VanDerWaalsContact O-N 3.15Å
122	N	90.5	Very high	91	Very high	51 Å²	51	81 Å²	81	27%	0.273	41%	0.407	S	S	.	.	H	α-helix	trans	-76.8	-36.7	178.7	-83.1	-21	0	0	0	110.9	A114 E119 E120 E124 K125 F126	A114-N122 HydrophobicContact CB-CB 3.8Å; E119-N122 HydrophobicContact CB-CB 4.07Å; E119-N122 WeakPolarHBondContact O-CA 3.5Å; E119-N122 PolarHBondContact O-N 3.04Å; E119-N122 PolarHBondContact OE2-ND2 3.49Å; E120-N122 VanDerWaalsContact C-N 3.32Å; E120-N122 PolarHBondContact O-N 2.85Å; N122-E124 PolarHBondContact O-N 2.9Å; N122-K125 PolarHBondContact O-N 2.9Å; N122-F126 HydrophobicContact CB-CD2 4.11Å; N122-F126 HydrophobicContact CB-CE2 3.88Å; N122-F126 WeakPolarHBondContact O-CD2 3.3Å; N122-F126 PolarHBondContact O-N 2.96Å
123	I	89.5	Confident	91	Very high	32 Å²	32	78.1 Å²	78.1	16%	0.164	40%	0.395	C	S	.	.	H	α-helix	trans	-56	-51.6	171.9	-63.7	170.7	0	0	0	110.2	A50 L111 A114 Q115 E119 E120 K125 F126 S127	A50-I123 HydrophobicContact CB-CG2 4.08Å; L111-I123 HydrophobicContact CD1-CB 4.31Å; L111-I123 HydrophobicContact CD1-CG2 3.97Å; L111-I123 WeakPolarHBondContact CD1-O 3.26Å; A114-I123 HydrophobicContact CB-CG1 3.92Å; Q115-I123 HydrophobicContact CG-CD1 4.1Å; Q115-I123 HydrophobicContact CG-CG1 4.02Å; Q115-I123 HydrophobicContact CG-CG2 4.4Å; E119-I123 WeakPolarHBondContact O-CG1 3.35Å; E119-I123 PolarHBondContact O-N 3.47Å; E120-I123 PolarHBondContact O-N 3.16Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.5Å; I123-F126 PolarHBondContact O-N 3.37Å; I123-S127 WeakPolarHBondContact O-CB 3.49Å; I123-S127 PolarHBondContact O-N 2.84Å
124	E	88.1	Confident	91	Very high	65 Å²	65	75.2 Å²	75.2	30%	0.304	39%	0.386	S	S	.	.	H	α-helix	trans	-60.7	-43.9	178.8	-171	-172.4	169.6	0	0	111.6	A50 E120 N122 K128	A50-E124 HydrophobicContact CB-CB 4.34Å; E120-E124 PolarHBondContact O-N 3.24Å; N122-E124 PolarHBondContact O-N 2.9Å; E124-K128 HydrophobicContact CG-CD 4.49Å; E124-K128 WeakPolarHBondContact O-CG 3.32Å; E124-K128 PolarHBondContact O-N 2.59Å; E124-K128 WeakPolarHBondContact OE1-CE 3.4Å; E124-K128 IonicContact OE1-NZ 2.82Å; E124-K128 PolarHBondContact OE1-NZ 3.31Å
125	K	90	Very high	91.1	Very high	99 Å²	99	80.8 Å²	80.8	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-62.9	-48.9	-179.6	176.8	-175.8	171.7	-169.9	0	112.5	N121 N122 I123 K128 R129	N121-K125 VanDerWaalsContact O-CB 3.3Å; N121-K125 WeakPolarHBondContact O-CB 3.26Å; N121-K125 PolarHBondContact O-N 3.25Å; N121-K125 VanDerWaalsContact O-N 3.15Å; N122-K125 PolarHBondContact O-N 2.9Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.5Å; K125-K128 PolarHBondContact O-N 2.94Å; K125-R129 PolarHBondContact O-N 3.13Å
126	F	91	Very high	91.3	Very high	20 Å²	20	79.7 Å²	79.7	9%	0.088	41%	0.406	C	S	.	.	H	α-helix	trans	-73.5	-36.6	-178.8	-65.2	-59.7	0	0	0	111.3	A107 H110 L111 A114 N122 I123 K128 R129 L130	A107-F126 HydrophobicContact CB-CD1 4.42Å; H110-F126 HydrophobicContact CB-CD1 3.84Å; H110-F126 HydrophobicContact CB-CD2 3.86Å; H110-F126 HydrophobicContact CB-CE1 3.6Å; H110-F126 HydrophobicContact CB-CE2 3.62Å; H110-F126 HydrophobicContact CB-CG 3.99Å; H110-F126 HydrophobicContact CB-CZ 3.5Å; H110-F126 VanDerWaalsContact CB-CZ 3.5Å; H110-F126 AromaticContact ND1-CE1 3.76Å; L111-F126 HydrophobicContact CB-CB 3.86Å; L111-F126 HydrophobicContact CD1-CB 4.1Å; A114-F126 HydrophobicContact CB-CD2 4.31Å; N122-F126 HydrophobicContact CB-CD2 4.11Å; N122-F126 HydrophobicContact CB-CE2 3.88Å; N122-F126 WeakPolarHBondContact O-CD2 3.3Å; N122-F126 PolarHBondContact O-N 2.96Å; I123-F126 PolarHBondContact O-N 3.37Å; F126-K128 VanDerWaalsContact C-N 3.28Å; F126-K128 PolarHBondContact O-N 3.42Å; F126-R129 WeakPolarHBondContact O-CA 3.44Å; F126-R129 WeakPolarHBondContact O-CB 3.16Å; F126-R129 PolarHBondContact O-N 2.89Å; F126-L130 PolarHBondContact O-N 2.7Å
127	S	89.4	Confident	91.4	Very high	23 Å²	23	72.6 Å²	72.6	16%	0.161	37%	0.373	C	S	.	.	H	α-helix	trans	-58.3	-36.7	172.3	-179.6	0	0	0	0	112.7	R47 A50 I123 R129 L130	R47-S127 PolarHBondContact NH1-O 2.97Å; R47-S127 PolarHBondContact NH2-OG 3.14Å; A50-S127 PolarHBondContact O-OG 3.04Å; A50-S127 VanDerWaalsContact O-OG 3.1Å; I123-S127 WeakPolarHBondContact O-CB 3.49Å; I123-S127 PolarHBondContact O-N 2.84Å; S127-R129 VanDerWaalsContact C-N 3.33Å; S127-R129 PolarHBondContact O-N 2.91Å; S127-L130 PolarHBondContact O-N 3.36Å
128	K	90.1	Very high	91.6	Very high	65 Å²	65	70.3 Å²	70.3	28%	0.283	35%	0.353	S	S	.	.	H	α-helix	trans	-66.4	-30.3	172.1	-74.9	172.4	-176.3	168.6	0	113.7	I44 E124 K125 F126 L130 V131	I44-K128 HydrophobicContact CG2-CB 4.45Å; I44-K128 HydrophobicContact CG2-CD 4.25Å; I44-K128 HydrophobicContact CG2-CG 4.26Å; E124-K128 HydrophobicContact CG-CD 4.49Å; E124-K128 WeakPolarHBondContact O-CG 3.32Å; E124-K128 PolarHBondContact O-N 2.59Å; E124-K128 WeakPolarHBondContact OE1-CE 3.4Å; E124-K128 IonicContact OE1-NZ 2.82Å; E124-K128 PolarHBondContact OE1-NZ 3.31Å; K125-K128 PolarHBondContact O-N 2.94Å; F126-K128 VanDerWaalsContact C-N 3.28Å; F126-K128 PolarHBondContact O-N 3.42Å; K128-L130 VanDerWaalsContact C-N 3.35Å; K128-V131 WeakPolarHBondContact O-CG2 3.29Å
129	R	90.1	Very high	91.9	Very high	125 Å²	125	71.5 Å²	71.5	47%	0.472	35%	0.346	S	S	.	.	H	α-helix	trans	-76	-23.4	178.8	-67.6	175	178.7	-168.1	-4.1	113.1	A107 K125 F126 S127 V131	A107-R129 HydrophobicContact CB-CB 3.87Å; K125-R129 PolarHBondContact O-N 3.13Å; F126-R129 WeakPolarHBondContact O-CA 3.44Å; F126-R129 WeakPolarHBondContact O-CB 3.16Å; F126-R129 PolarHBondContact O-N 2.89Å; S127-R129 VanDerWaalsContact C-N 3.33Å; S127-R129 PolarHBondContact O-N 2.91Å; R129-V131 VanDerWaalsContact C-N 3.31Å
130	L	89.8	Confident	92.2	Very high	51 Å²	51	67.8 Å²	67.8	27%	0.267	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-10	177.4	-63.7	-176.4	0	0	0	113.9	R104 A107 E108 L111 F126 S127 K128 K132	R104-L130 HydrophobicContact CB-CD2 4.42Å; R104-L130 VanDerWaalsContact O-CD2 3.27Å; R104-L130 WeakPolarHBondContact O-CD2 3.39Å; A107-L130 HydrophobicContact CB-CD2 4.01Å; E108-L130 HydrophobicContact CB-CD1 4.36Å; E108-L130 HydrophobicContact CB-CD2 3.96Å; E108-L130 HydrophobicContact CG-CD1 4.49Å; L111-L130 HydrophobicContact CB-CD1 4.5Å; L111-L130 HydrophobicContact CD2-CD1 3.43Å; L111-L130 VanDerWaalsContact CD2-CD1 3.43Å; F126-L130 PolarHBondContact O-N 2.7Å; S127-L130 PolarHBondContact O-N 3.36Å; K128-L130 VanDerWaalsContact C-N 3.35Å; L130-K132 PolarHBondContact O-N 2.96Å
131	V	90.9	Very high	92.7	Very high	23 Å²	23	60.2 Å²	60.2	14%	0.139	29%	0.293	C	S	.	.			trans	-57.2	129	178.7	173.9	0	0	0	0	110.5	Y40 L43 I44 K128 R129	Y40-V131 HydrophobicContact CD2-CG1 4.31Å; Y40-V131 HydrophobicContact CE2-CG1 4.3Å; L43-V131 HydrophobicContact CB-CG1 3.45Å; L43-V131 VanDerWaalsContact CB-CG1 3.45Å; L43-V131 HydrophobicContact CD1-CG1 4Å; L43-V131 HydrophobicContact CG-CG1 4.37Å; I44-V131 HydrophobicContact CG1-CB 4.1Å; I44-V131 HydrophobicContact CG1-CG1 4.1Å; I44-V131 HydrophobicContact CG1-CG2 4.12Å; K128-V131 WeakPolarHBondContact O-CG2 3.29Å; R129-V131 VanDerWaalsContact C-N 3.31Å
132	K	91.2	Very high	93.2	Very high	132 Å²	132	54.8 Å²	54.8	57%	0.574	26%	0.263	S	S	*	.			trans	-132.7	137.8	175.4	-175.9	-175.7	174.1	-171.5	0	109.4	L130	L130-K132 PolarHBondContact O-N 2.96Å
133	V	93.2	Very high	93.6	Very high	41 Å²	41	55.9 Å²	55.9	25%	0.248	27%	0.266	C	S	.	.			trans	-77.8	130.8	169.8	-174.4	0	0	0	0	108.8	I39 Y40 L43 H137	I39-V133 HydrophobicContact CB-CG1 4.43Å; I39-V133 HydrophobicContact CB-CG2 4.47Å; I39-V133 HydrophobicContact CG2-CB 4.49Å; I39-V133 HydrophobicContact CG2-CG1 3.75Å; I39-V133 HydrophobicContact CG2-CG2 3.97Å; Y40-V133 HydrophobicContact CD2-CG2 4.23Å; L43-V133 HydrophobicContact CD1-CG2 4.07Å; V133-H137 HydrophobicContact CG1-CB 4.29Å
134	T	94.3	Very high	94	Very high	56 Å²	56	54.3 Å²	54.3	34%	0.344	26%	0.258	S	S	.	.			trans	-107.3	163.7	178	64.8	0	0	0	0	109.8	Q136 H137 T138	T134-Q136 PolarHBondContact O-N 3.37Å; T134-H137 PolarHBondContact N-ND1 3.26Å; T134-H137 PolarHBondContact O-N 3.3Å; T134-H137 VanDerWaalsContact OG1-CG 3.29Å; T134-H137 PolarHBondContact OG1-N 3.35Å; T134-H137 PolarHBondContact OG1-ND1 2.94Å; T134-T138 PolarHBondContact O-N 2.95Å
135	Q	95	Very high	94.5	Very high	121 Å²	121	51.2 Å²	51.2	57%	0.565	24%	0.243	S	C	*	.	H	α-helix	trans	-59.8	-37.6	174.6	-170.7	59.3	42.8	0	0	111.6	H137 T138 D139	Q135-H137 PolarHBondContact O-N 3.3Å; Q135-T138 WeakPolarHBondContact O-CB 3.45Å; Q135-T138 PolarHBondContact O-N 3.35Å; Q135-T138 VanDerWaalsContact O-N 3.11Å; Q135-D139 PolarHBondContact NE2-OD1 3.44Å; Q135-D139 VanDerWaalsContact O-CG 3.26Å; Q135-D139 PolarHBondContact O-N 3.12Å
136	Q	95.8	Very high	94.9	Very high	89 Å²	89	51.5 Å²	51.5	42%	0.416	25%	0.248	S	C	.	.	H	α-helix	trans	-57.1	-45.9	175.1	-179.5	177.4	-0.9	0	0	112.1	E59 T134 T138 D139 E140	E59-Q136 PolarHBondContact OE1-NE2 2.99Å; E59-Q136 VanDerWaalsContact OE1-NE2 3.15Å; T134-Q136 PolarHBondContact O-N 3.37Å; Q136-T138 VanDerWaalsContact C-N 3.27Å; Q136-T138 PolarHBondContact O-N 3.22Å; Q136-D139 PolarHBondContact O-N 2.93Å; Q136-E140 HydrophobicContact CG-CG 4.24Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.4Å; Q136-E140 PolarHBondContact NE2-OE1 3.44Å; Q136-E140 WeakPolarHBondContact O-CB 3.28Å; Q136-E140 VanDerWaalsContact O-CG 3.24Å; Q136-E140 WeakPolarHBondContact O-CG 3.25Å; Q136-E140 PolarHBondContact O-N 2.87Å
137	H	97.3	Very high	95.3	Very high	20 Å²	20	51.3 Å²	51.3	9%	0.093	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-41.5	177.1	-59.8	154.4	0	0	0	111.8	I39 H63 V133 T134 Q135 C141	I39-H137 HydrophobicContact CG2-CB 4.19Å; H63-H137 PolarHBondContact CD2-O 3.07Å; H63-H137 AromaticContact CE1-CD2 3.37Å; H63-H137 PolarHBondContact CE1-CD2 3.27Å; H63-H137 AromaticContact ND1-CD2 3.69Å; H63-H137 AromaticContact NE2-CD2 3.75Å; V133-H137 HydrophobicContact CG1-CB 4.29Å; T134-H137 PolarHBondContact N-ND1 3.26Å; T134-H137 PolarHBondContact O-N 3.3Å; T134-H137 VanDerWaalsContact OG1-CG 3.29Å; T134-H137 PolarHBondContact OG1-N 3.35Å; T134-H137 PolarHBondContact OG1-ND1 2.94Å; Q135-H137 PolarHBondContact O-N 3.3Å; H137-C141 WeakPolarHBondContact O-CB 3.12Å; H137-C141 PolarHBondContact O-N 3.03Å
138	T	97.6	Very high	95.7	Very high	18 Å²	18	50.2 Å²	50.2	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-49.9	176.9	-66.8	0	0	0	0	111.4	F85 T134 Q135 Q136 E140 C141 K142	F85-T138 HydrophobicContact CD1-CG2 3.61Å; F85-T138 HydrophobicContact CE1-CG2 3.93Å; F85-T138 HydrophobicContact CG-CG2 4.43Å; T134-T138 PolarHBondContact O-N 2.95Å; Q135-T138 WeakPolarHBondContact O-CB 3.45Å; Q135-T138 PolarHBondContact O-N 3.35Å; Q135-T138 VanDerWaalsContact O-N 3.11Å; Q136-T138 VanDerWaalsContact C-N 3.27Å; Q136-T138 PolarHBondContact O-N 3.22Å; T138-E140 PolarHBondContact O-N 3.23Å; T138-C141 PolarHBondContact O-N 3.05Å; T138-K142 HydrophobicContact CG2-CD 4.23Å; T138-K142 WeakPolarHBondContact O-CG 3.48Å; T138-K142 PolarHBondContact O-N 3.18Å
139	D	98.1	Very high	96.1	Very high	77 Å²	77	47.3 Å²	47.3	41%	0.412	23%	0.228	S	C	.	.	H	α-helix	trans	-66.4	-40.5	-176.6	-62.6	-20.2	0	0	0	111.6	Q135 Q136 K142 K143	Q135-D139 PolarHBondContact NE2-OD1 3.44Å; Q135-D139 VanDerWaalsContact O-CG 3.26Å; Q135-D139 PolarHBondContact O-N 3.12Å; Q136-D139 PolarHBondContact O-N 2.93Å; D139-K142 PolarHBondContact O-N 2.99Å; D139-K143 PolarHBondContact O-N 3.29Å
140	E	98.4	Very high	96.5	Very high	20 Å²	20	41.5 Å²	41.5	9%	0.093	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-38.1	175.3	-68.1	177.1	174.3	0	0	112.1	H63 L64 Q136 T138 K143 L144 F309 K314	H63-E140 IonicContact CD2-OE2 3.97Å; H63-E140 IonicContact CE1-OE2 2.65Å; H63-E140 PolarHBondContact CE1-OE2 3.36Å; H63-E140 VanDerWaalsContact CE1-OE2 3.27Å; H63-E140 IonicContact NE2-OE2 3.79Å; H63-E140 PolarHBondContact NE2-OE2 2.89Å; L64-E140 HydrophobicContact CD2-CB 3.91Å; Q136-E140 HydrophobicContact CG-CG 4.24Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.4Å; Q136-E140 PolarHBondContact NE2-OE1 3.44Å; Q136-E140 WeakPolarHBondContact O-CB 3.28Å; Q136-E140 VanDerWaalsContact O-CG 3.24Å; Q136-E140 WeakPolarHBondContact O-CG 3.25Å; Q136-E140 PolarHBondContact O-N 2.87Å; T138-E140 PolarHBondContact O-N 3.23Å; E140-K143 PolarHBondContact O-N 2.96Å; E140-L144 WeakPolarHBondContact O-CB 3.4Å; E140-L144 PolarHBondContact O-N 3.3Å; E140-F309 HydrophobicContact CB-CZ 4.17Å; E140-F309 HydrophobicContact CG-CZ 4.46Å; E140-K314 WeakPolarHBondContact OE1-CE 3.49Å; E140-K314 IonicContact OE1-NZ 2.65Å; E140-K314 PolarHBondContact OE1-NZ 3.43Å; E140-K314 IonicContact OE2-NZ 2.75Å
141	C	98.6	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-40.4	172.5	-85.1	0	0	0	0	112.2	I39 M67 F85 H137 T138 L144 L145	I39-C141 HydrophobicContact CD1-CB 4.03Å; M67-C141 HydrophobicContact CE-CB 3.99Å; F85-C141 HydrophobicContact CE1-CB 4.23Å; F85-C141 HydrophobicContact CZ-CB 4.16Å; H137-C141 WeakPolarHBondContact O-CB 3.12Å; H137-C141 PolarHBondContact O-N 3.03Å; T138-C141 PolarHBondContact O-N 3.05Å; C141-L144 PolarHBondContact O-N 3.04Å; C141-L145 VanDerWaalsContact O-CG 3.26Å; C141-L145 WeakPolarHBondContact O-CG 3.37Å; C141-L145 PolarHBondContact O-N 2.7Å
142	K	98.6	Very high	97.2	Very high	22 Å²	22	42.2 Å²	42.2	10%	0.096	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-48	173.8	-72.3	173.6	-177.1	176.2	0	110.8	F85 T138 D139 L144 L145 M146 Y152 E154	F85-K142 HydrophobicContact CD1-CG 4.48Å; F85-K142 HydrophobicContact CD2-CG 4.06Å; F85-K142 HydrophobicContact CE1-CG 4.04Å; F85-K142 HydrophobicContact CE2-CG 3.6Å; F85-K142 HydrophobicContact CG-CG 4.47Å; F85-K142 HydrophobicContact CZ-CG 3.59Å; T138-K142 HydrophobicContact CG2-CD 4.23Å; T138-K142 WeakPolarHBondContact O-CG 3.48Å; T138-K142 PolarHBondContact O-N 3.18Å; D139-K142 PolarHBondContact O-N 2.99Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-L144 PolarHBondContact O-N 3.05Å; K142-L145 PolarHBondContact O-N 2.78Å; K142-M146 WeakPolarHBondContact O-CG 3.16Å; K142-M146 PolarHBondContact O-N 3.06Å; K142-Y152 HydrophobicContact CB-CE1 4.15Å; K142-Y152 HydrophobicContact CB-CE2 4.45Å; K142-Y152 HydrophobicContact CD-CD2 4.5Å; K142-Y152 HydrophobicContact CD-CE2 3.9Å; K142-Y152 HydrophobicContact CG-CD2 4.17Å; K142-Y152 HydrophobicContact CG-CE1 4.38Å; K142-Y152 HydrophobicContact CG-CE2 3.91Å; K142-E154 VanDerWaalsContact CE-OE1 3.25Å; K142-E154 WeakPolarHBondContact CE-OE1 3.32Å; K142-E154 VanDerWaalsContact NZ-CD 3.3Å; K142-E154 IonicContact NZ-OE1 3.81Å; K142-E154 PolarHBondContact NZ-OE1 3.42Å; K142-E154 IonicContact NZ-OE2 2.82Å
143	K	98.6	Very high	97.6	Very high	74 Å²	74	36.8 Å²	36.8	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-53.3	-51.8	173.7	-175.9	177.9	174.7	-173.9	0	110.3	D139 E140 L145 M146 L147 F309 E313	D139-K143 PolarHBondContact O-N 3.29Å; E140-K143 PolarHBondContact O-N 2.96Å; K143-L145 PolarHBondContact O-N 2.79Å; K143-M146 PolarHBondContact O-N 3.11Å; K143-L147 HydrophobicContact CG-CD1 4.16Å; K143-L147 VanDerWaalsContact O-CG 3.26Å; K143-L147 WeakPolarHBondContact O-CG 3.18Å; K143-L147 PolarHBondContact O-N 3.46Å; K143-F309 HydrophobicContact CD-CD2 3.9Å; K143-F309 HydrophobicContact CD-CE1 4.46Å; K143-F309 HydrophobicContact CD-CE2 3.8Å; K143-F309 HydrophobicContact CD-CG 4.27Å; K143-F309 HydrophobicContact CD-CZ 4.1Å; K143-F309 HydrophobicContact CG-CE1 4.47Å; K143-F309 VanDerWaalsContact NZ-CD2 3.33Å; K143-E313 IonicContact NZ-OE1 3.83Å; K143-E313 PolarHBondContact NZ-OE1 3.08Å; K143-E313 IonicContact NZ-OE2 2.69Å; K143-E313 PolarHBondContact NZ-OE2 3.46Å
144	L	98.8	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.2	-48.6	178.1	-179.4	58.6	0	0	0	112.6	L64 M67 F68 E140 C141 K142 M146 L147 M148 L306 F309 M310	L64-L144 HydrophobicContact CB-CD2 4.3Å; L64-L144 HydrophobicContact CD2-CB 4.27Å; L64-L144 HydrophobicContact CD2-CD2 3.96Å; M67-L144 HydrophobicContact CB-CD2 3.93Å; M67-L144 HydrophobicContact CG-CD2 4.09Å; F68-L144 HydrophobicContact CB-CD2 4.15Å; F68-L144 HydrophobicContact CD2-CD1 4.18Å; E140-L144 WeakPolarHBondContact O-CB 3.4Å; E140-L144 PolarHBondContact O-N 3.3Å; C141-L144 PolarHBondContact O-N 3.04Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-L144 PolarHBondContact O-N 3.05Å; L144-M146 PolarHBondContact O-N 2.85Å; L144-L147 PolarHBondContact O-N 3.15Å; L144-M148 HydrophobicContact CD1-CG 4.11Å; L144-M148 HydrophobicContact CD1-SD 3.96Å; L144-M148 HydrophobicContact CD2-SD 4.42Å; L144-M148 HydrophobicContact CG-CG 4.39Å; L144-M148 HydrophobicContact CG-SD 3.82Å; L144-M148 WeakPolarHBondContact O-CB 3.46Å; L144-M148 VanDerWaalsContact O-CG 3.22Å; L144-M148 WeakPolarHBondContact O-CG 3.35Å; L144-M148 PolarHBondContact O-N 3.3Å; L144-L306 HydrophobicContact CD1-CD2 3.75Å; L144-F309 HydrophobicContact CB-CE1 4.12Å; L144-M310 HydrophobicContact CD1-CG 4.21Å; L144-M310 HydrophobicContact CD1-SD 3.8Å; L144-M310 HydrophobicContact CD2-SD 4.49Å
145	L	98.6	Very high	97.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-40.8	-178.7	-70.8	171.6	0	0	0	112.3	M67 Y83 F85 C141 K142 K143 M148 G149 I150 Y152	M67-L145 HydrophobicContact CG-CD2 4.01Å; M67-L145 HydrophobicContact CG-CG 4.28Å; M67-L145 HydrophobicContact SD-CD1 4.4Å; M67-L145 HydrophobicContact SD-CD2 4.03Å; M67-L145 HydrophobicContact SD-CG 4.43Å; Y83-L145 HydrophobicContact CD1-CD1 4.5Å; Y83-L145 HydrophobicContact CD2-CD1 3.72Å; Y83-L145 HydrophobicContact CD2-CD2 3.53Å; Y83-L145 HydrophobicContact CD2-CG 4.29Å; Y83-L145 HydrophobicContact CE2-CD2 3.64Å; Y83-L145 HydrophobicContact CG-CD1 3.7Å; Y83-L145 HydrophobicContact CG-CD2 4.32Å; F85-L145 HydrophobicContact CE2-CD1 3.89Å; F85-L145 HydrophobicContact CZ-CD1 3.89Å; C141-L145 VanDerWaalsContact O-CG 3.26Å; C141-L145 WeakPolarHBondContact O-CG 3.37Å; C141-L145 PolarHBondContact O-N 2.7Å; K142-L145 PolarHBondContact O-N 2.78Å; K143-L145 PolarHBondContact O-N 2.79Å; L145-M148 CarbonylContact O-C 3.54Å; L145-M148 PolarHBondContact O-N 2.81Å; L145-G149 PolarHBondContact O-N 2.9Å; L145-G149 VanDerWaalsContact O-N 3.1Å; L145-I150 CarbonylContact C-O 3.57Å; L145-I150 HydrophobicContact CB-CB 4.49Å; L145-I150 HydrophobicContact CD2-CB 4.02Å; L145-I150 HydrophobicContact CD2-CG2 3.97Å; L145-I150 PolarHBondContact O-N 3.33Å; L145-Y152 HydrophobicContact CB-CD1 4.48Å
146	M	98.4	Very high	98	Very high	105 Å²	105	34 Å²	34	52%	0.517	17%	0.169	S	C	.	.	H	α-helix	trans	-58.4	-49	173.4	-69.4	-171.1	-68.7	0	0	111.3	K142 K143 L144 M148 G149 Y152	K142-M146 WeakPolarHBondContact O-CG 3.16Å; K142-M146 PolarHBondContact O-N 3.06Å; K143-M146 PolarHBondContact O-N 3.11Å; L144-M146 PolarHBondContact O-N 2.85Å; M146-M148 VanDerWaalsContact C-N 3.26Å; M146-M148 PolarHBondContact O-N 2.9Å; M146-G149 WeakPolarHBondContact O-CA 3.21Å; M146-G149 PolarHBondContact O-N 3.41Å; M146-Y152 HydrophobicContact CG-CD1 4.35Å; M146-Y152 HydrophobicContact CG-CE1 3.59Å; M146-Y152 HydrophobicContact SD-CE1 4.08Å
147	L	98.4	Very high	98	Very high	16 Å²	16	30.2 Å²	30.2	8%	0.084	15%	0.153	C	C	.	.	H	α-helix	trans	-65.1	-30.8	179.6	-64.1	-178.4	0	0	0	112.3	K143 L144 G149 P301 N302 E305 L306 F309	K143-L147 HydrophobicContact CG-CD1 4.16Å; K143-L147 VanDerWaalsContact O-CG 3.26Å; K143-L147 WeakPolarHBondContact O-CG 3.18Å; K143-L147 PolarHBondContact O-N 3.46Å; L144-L147 PolarHBondContact O-N 3.15Å; L147-G149 PolarHBondContact O-N 2.95Å; L147-P301 CarbonylContact O-C 3.59Å; L147-P301 VanDerWaalsContact O-CA 3.28Å; L147-P301 WeakPolarHBondContact O-CA 3.23Å; L147-N302 PolarHBondContact O-N 3.36Å; L147-E305 HydrophobicContact CD1-CB 4.33Å; L147-E305 HydrophobicContact CD2-CB 3.6Å; L147-E305 HydrophobicContact CD2-CG 4.45Å; L147-E305 WeakPolarHBondContact CD2-OE2 3.34Å; L147-L306 HydrophobicContact CB-CD2 3.4Å; L147-L306 HydrophobicContact CB-CG 3.71Å; L147-L306 HydrophobicContact CD1-CD2 4.28Å; L147-L306 HydrophobicContact CG-CD2 4.5Å; L147-F309 HydrophobicContact CD1-CB 3.92Å; L147-F309 HydrophobicContact CD1-CD1 4.07Å; L147-F309 HydrophobicContact CD1-CG 4.24Å
148	M	98.3	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.1	172.2	-67.7	177.8	76.1	0	0	113.6	F68 T71 I72 L144 L145 M146 I150 L306 L328	F68-M148 HydrophobicContact CD2-CE 3.82Å; F68-M148 HydrophobicContact CD2-CG 4.36Å; F68-M148 HydrophobicContact CD2-SD 3.75Å; F68-M148 HydrophobicContact CE2-CE 4.3Å; F68-M148 HydrophobicContact CE2-SD 4.47Å; T71-M148 HydrophobicContact CG2-CE 3.82Å; I72-M148 HydrophobicContact CG1-CE 3.97Å; L144-M148 HydrophobicContact CD1-CG 4.11Å; L144-M148 HydrophobicContact CD1-SD 3.96Å; L144-M148 HydrophobicContact CD2-SD 4.42Å; L144-M148 HydrophobicContact CG-CG 4.39Å; L144-M148 HydrophobicContact CG-SD 3.82Å; L144-M148 WeakPolarHBondContact O-CB 3.46Å; L144-M148 VanDerWaalsContact O-CG 3.22Å; L144-M148 WeakPolarHBondContact O-CG 3.35Å; L144-M148 PolarHBondContact O-N 3.3Å; L145-M148 CarbonylContact O-C 3.54Å; L145-M148 PolarHBondContact O-N 2.81Å; M146-M148 VanDerWaalsContact C-N 3.26Å; M146-M148 PolarHBondContact O-N 2.9Å; M148-I150 VanDerWaalsContact C-N 3.32Å; M148-I150 HydrophobicContact CB-CG1 3.85Å; M148-L306 HydrophobicContact CG-CD1 4.32Å; M148-L306 HydrophobicContact CG-CD2 3.95Å; M148-L328 HydrophobicContact CB-CD2 4.02Å; M148-L328 HydrophobicContact CE-CD2 3.9Å; M148-L328 HydrophobicContact CG-CD2 4.28Å
149	G	97.6	Very high	98	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.031	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	29.7	-175.6	0	0	0	0	0	113.8	L145 M146 L147 W298 T299 R332	L145-G149 PolarHBondContact O-N 2.9Å; L145-G149 VanDerWaalsContact O-N 3.1Å; M146-G149 WeakPolarHBondContact O-CA 3.21Å; M146-G149 PolarHBondContact O-N 3.41Å; L147-G149 PolarHBondContact O-N 2.95Å; G149-W298 CarbonylContact O-C 3.51Å; G149-W298 WeakPolarHBondContact O-CA 3.09Å; G149-T299 WeakPolarHBondContact CA-O 3.49Å; G149-T299 VanDerWaalsContact CA-OG1 3.22Å; G149-T299 WeakPolarHBondContact CA-OG1 3.35Å; G149-T299 PolarHBondContact O-N 3.27Å; G149-R332 PolarHBondContact O-NH2 3.36Å
150	I	98.3	Very high	98	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	13%	0.128	C	C	.	.			trans	-104.2	124.8	-179.9	-55.7	-63.9	0	0	0	108.6	T71 V75 P81 Y83 L145 M148	T71-I150 HydrophobicContact CG2-CD1 4.06Å; T71-I150 HydrophobicContact CG2-CG1 3.75Å; T71-I150 HydrophobicContact CG2-CG2 4.35Å; V75-I150 HydrophobicContact CG2-CD1 4.05Å; P81-I150 HydrophobicContact CG-CG2 4.12Å; P81-I150 WeakPolarHBondContact O-CG2 3.21Å; Y83-I150 HydrophobicContact CD2-CG2 4.08Å; Y83-I150 HydrophobicContact CE2-CG2 4.34Å; L145-I150 CarbonylContact C-O 3.57Å; L145-I150 HydrophobicContact CB-CB 4.49Å; L145-I150 HydrophobicContact CD2-CB 4.02Å; L145-I150 HydrophobicContact CD2-CG2 3.97Å; L145-I150 PolarHBondContact O-N 3.33Å; M148-I150 VanDerWaalsContact C-N 3.32Å; M148-I150 HydrophobicContact CB-CG1 3.85Å
151	P	98.2	Very high	98	Very high	18 Å²	18	24.7 Å²	24.7	12%	0.117	12%	0.124	C	C	.	.			trans	-68.4	146.8	-179.1	29	-33.1	0	0	0	110.7	V82 Y83 L296 K297 W298	V82-P151 WeakPolarHBondContact CA-O 3.26Å; V82-P151 HydrophobicContact CB-CG 4.19Å; V82-P151 HydrophobicContact CG2-CB 4.4Å; V82-P151 HydrophobicContact CG2-CG 4.34Å; Y83-P151 PolarHBondContact N-O 3.14Å; P151-L296 HydrophobicContact CB-CD2 4.49Å; P151-K297 WeakPolarHBondContact CD-O 3.26Å; P151-W298 VanDerWaalsContact CD-CD1 3.4Å; P151-W298 VanDerWaalsContact CD-NE1 3.29Å; P151-W298 HydrophobicContact CG-CD2 3.85Å; P151-W298 HydrophobicContact CG-CE3 4.35Å; P151-W298 HydrophobicContact CG-CG 4.28Å; P151-W298 HydrophobicContact CG-CH2 4.26Å; P151-W298 HydrophobicContact CG-CZ2 3.73Å
152	Y	98.5	Very high	97.9	Very high	71 Å²	71	24.7 Å²	24.7	28%	0.278	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	162	165.2	71.6	-90.8	0	0	0	110.8	Y83 F85 K142 L145 M146 E154	Y83-Y152 CarbonylContact O-C 3.25Å; Y83-Y152 WeakPolarHBondContact O-CA 3.37Å; Y83-Y152 WeakPolarHBondContact O-CB 3.26Å; F85-Y152 AromaticContact CD2-CD2 3.85Å; F85-Y152 HydrophobicContact CD2-CD2 3.85Å; F85-Y152 HydrophobicContact CD2-CG 4.19Å; F85-Y152 AromaticContact CE2-CD2 3.96Å; F85-Y152 HydrophobicContact CE2-CD2 3.96Å; F85-Y152 AromaticContact CE2-CG 3.89Å; F85-Y152 HydrophobicContact CE2-CG 3.89Å; K142-Y152 HydrophobicContact CB-CE1 4.15Å; K142-Y152 HydrophobicContact CB-CE2 4.45Å; K142-Y152 HydrophobicContact CD-CD2 4.5Å; K142-Y152 HydrophobicContact CD-CE2 3.9Å; K142-Y152 HydrophobicContact CG-CD2 4.17Å; K142-Y152 HydrophobicContact CG-CE1 4.38Å; K142-Y152 HydrophobicContact CG-CE2 3.91Å; L145-Y152 HydrophobicContact CB-CD1 4.48Å; M146-Y152 HydrophobicContact CG-CD1 4.35Å; M146-Y152 HydrophobicContact CG-CE1 3.59Å; M146-Y152 HydrophobicContact SD-CE1 4.08Å; Y152-E154 HydrophobicContact CD2-CG 4.32Å; Y152-E154 HydrophobicContact CE2-CG 4.05Å
153	V	98.1	Very high	98	Very high	17 Å²	17	23.7 Å²	23.7	10%	0.103	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.2	178.9	177	0	0	0	0	108	V82 Y83 V84 F85 V289 V294 L296	V82-V153 HydrophobicContact CG2-CG2 3.96Å; Y83-V153 PolarHBondContact O-N 3.48Å; V84-V153 CarbonylContact C-O 3.6Å; V84-V153 WeakPolarHBondContact CA-O 3.41Å; V84-V153 HydrophobicContact CG2-CB 4.41Å; F85-V153 PolarHBondContact N-O 2.96Å; V153-V289 HydrophobicContact CG1-CB 4.4Å; V153-V289 HydrophobicContact CG1-CG1 3.67Å; V153-V289 HydrophobicContact CG1-CG2 4.35Å; V153-V294 HydrophobicContact CG1-CG2 4.45Å; V153-V294 HydrophobicContact CG2-CG1 3.86Å; V153-L296 HydrophobicContact CG2-CD2 4.25Å
154	E	97.8	Very high	97.9	Very high	108 Å²	108	20.1 Å²	20.1	51%	0.505	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.6	171.9	-61.5	-174.4	176.2	0	0	108.3	K142 Y152 V289	K142-E154 VanDerWaalsContact CE-OE1 3.25Å; K142-E154 WeakPolarHBondContact CE-OE1 3.32Å; K142-E154 VanDerWaalsContact NZ-CD 3.3Å; K142-E154 IonicContact NZ-OE1 3.81Å; K142-E154 PolarHBondContact NZ-OE1 3.42Å; K142-E154 IonicContact NZ-OE2 2.82Å; Y152-E154 HydrophobicContact CD2-CG 4.32Å; Y152-E154 HydrophobicContact CE2-CG 4.05Å; E154-V289 WeakPolarHBondContact O-CG1 3.36Å
155	A	97.8	Very high	97.9	Very high	5 Å²	5	21.2 Å²	21.2	4%	0.041	11%	0.111	C	C	.	.			trans	-73.7	147.4	174.5	0	0	0	0	0	109.9	V84 F85 G87 S162	V84-A155 HydrophobicContact CG1-CB 4.11Å; F85-A155 WeakPolarHBondContact O-CB 3.22Å; F85-A155 PolarHBondContact O-N 3.24Å; G87-A155 WeakPolarHBondContact CA-O 3.38Å; G87-A155 PolarHBondContact N-O 3.05Å; G87-A155 VanDerWaalsContact N-O 3.15Å; A155-S162 VanDerWaalsContact CB-OG 3.3Å; A155-S162 WeakPolarHBondContact CB-OG 3.23Å
156	P	97	Very high	97.9	Very high	48 Å²	48	21.2 Å²	21.2	31%	0.312	11%	0.111	S	C	.	.	S	Bend	trans	-71.8	-35.6	170.7	28.6	-33.3	0	0	0	111.6	K88 D287	K88-P156 PolarHBondContact N-O 3.46Å; P156-D287 HydrophobicContact CG-CB 4.47Å; P156-D287 WeakPolarHBondContact CG-OD1 3.05Å
157	G	95.9	Very high	97.9	Very high	8 Å²	8	16.8 Å²	16.8	8%	0.082	9%	0.09	C	C	.	.	S	Bend	trans	-115.2	-123.1	173.7	0	0	0	0	0	112.4	G87	G87-G157 PolarHBondContact N-O 2.91Å
158	E	96.7	Very high	97.9	Very high	11 Å²	11	20.4 Å²	20.4	5%	0.051	11%	0.105	C	C	.	.			trans	-79.9	140	-178.5	-53.6	-77.7	-173.4	0	0	112.2	P90 K93 E160 A161 S162	P90-E158 WeakPolarHBondContact CD-OE1 3.28Å; P90-E158 HydrophobicContact CG-CG 4.49Å; K93-E158 WeakPolarHBondContact CD-OE1 3.2Å; K93-E158 WeakPolarHBondContact CE-OE1 3.37Å; K93-E158 IonicContact NZ-OE1 2.76Å; K93-E158 PolarHBondContact NZ-OE1 2.95Å; K93-E158 IonicContact NZ-OE2 2.75Å; K93-E158 PolarHBondContact NZ-OE2 3.21Å; E158-E160 HydrophobicContact CB-CG 4.46Å; E158-E160 WeakPolarHBondContact CB-OE1 3.38Å; E158-A161 HydrophobicContact CB-CB 4.37Å; E158-A161 PolarHBondContact O-N 3.39Å; E158-S162 PolarHBondContact O-N 2.88Å
159	A	97.8	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-41.4	-178.6	0	0	0	0	0	112.1	V84 D86 A161 S162 C163	V84-A159 HydrophobicContact CB-CB 4.24Å; V84-A159 HydrophobicContact CG1-CB 3.95Å; V84-A159 WeakPolarHBondContact O-CB 3.39Å; D86-A159 WeakPolarHBondContact OD1-CB 3.35Å; D86-A159 PolarHBondContact OD1-N 3.39Å; A159-A161 VanDerWaalsContact C-N 3.26Å; A159-A161 PolarHBondContact O-N 2.8Å; A159-S162 PolarHBondContact O-N 2.82Å; A159-C163 WeakPolarHBondContact O-CB 3.4Å; A159-C163 PolarHBondContact O-N 3.41Å; A159-C163 PolarHBondContact O-SG 2.68Å
160	E	96.9	Very high	97.7	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.028	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-32.8	180	65	-85.5	-170.9	0	0	112.7	E158 A164 T177 D181 C182 F185 Y234	E158-E160 HydrophobicContact CB-CG 4.46Å; E158-E160 WeakPolarHBondContact CB-OE1 3.38Å; E160-A164 WeakPolarHBondContact O-CB 3.36Å; E160-A164 PolarHBondContact O-N 3.22Å; E160-T177 HydrophobicContact CB-CG2 4.39Å; E160-D181 WeakPolarHBondContact CG-OD1 3.39Å; E160-C182 HydrophobicContact CB-CB 4.04Å; E160-C182 PolarHBondContact O-SG 3.22Å; E160-F185 HydrophobicContact CG-CD2 3.8Å; E160-F185 HydrophobicContact CG-CE2 3.67Å; E160-Y234 PolarHBondContact OE1-OH 3.25Å
161	A	98.1	Very high	97.7	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-70.6	-45.1	176.3	0	0	0	0	0	110.7	E158 A159 C163 A164 T165 F185 P286 V288	E158-A161 HydrophobicContact CB-CB 4.37Å; E158-A161 PolarHBondContact O-N 3.39Å; A159-A161 VanDerWaalsContact C-N 3.26Å; A159-A161 PolarHBondContact O-N 2.8Å; A161-C163 VanDerWaalsContact C-N 3.34Å; A161-C163 PolarHBondContact O-N 3.06Å; A161-A164 WeakPolarHBondContact O-CB 3.28Å; A161-A164 PolarHBondContact O-N 3.16Å; A161-T165 PolarHBondContact O-N 3.45Å; A161-T165 PolarHBondContact O-OG1 3.45Å; A161-F185 HydrophobicContact CB-CB 4.38Å; A161-F185 HydrophobicContact CB-CD1 3.69Å; A161-F185 HydrophobicContact CB-CD2 3.85Å; A161-F185 HydrophobicContact CB-CE1 3.83Å; A161-F185 HydrophobicContact CB-CE2 3.98Å; A161-F185 HydrophobicContact CB-CG 3.71Å; A161-F185 HydrophobicContact CB-CZ 3.97Å; A161-P286 HydrophobicContact CB-CB 3.92Å; A161-P286 HydrophobicContact CB-CG 4.21Å; A161-V288 HydrophobicContact CB-CG1 3.79Å
162	S	98.4	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-37.1	174.7	-70.7	0	0	0	0	111.9	A155 E158 A159 T165 L166 V289	A155-S162 VanDerWaalsContact CB-OG 3.3Å; A155-S162 WeakPolarHBondContact CB-OG 3.23Å; E158-S162 PolarHBondContact O-N 2.88Å; A159-S162 PolarHBondContact O-N 2.82Å; S162-T165 PolarHBondContact O-N 2.99Å; S162-L166 WeakPolarHBondContact O-CG 3.49Å; S162-L166 PolarHBondContact O-N 3.04Å; S162-V289 PolarHBondContact OG-N 2.84Å
163	C	98.7	Very high	97.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-48.4	171.5	-69	0	0	0	0	111	A32 V84 A159 A161 T165 L166 V167 A175	A32-C163 HydrophobicContact CB-CB 3.98Å; V84-C163 WeakPolarHBondContact CG2-SG 3.5Å; A159-C163 WeakPolarHBondContact O-CB 3.4Å; A159-C163 PolarHBondContact O-N 3.41Å; A159-C163 PolarHBondContact O-SG 2.68Å; A161-C163 VanDerWaalsContact C-N 3.34Å; A161-C163 PolarHBondContact O-N 3.06Å; C163-T165 VanDerWaalsContact C-N 3.29Å; C163-T165 PolarHBondContact O-N 3.27Å; C163-L166 PolarHBondContact O-N 3.24Å; C163-V167 WeakPolarHBondContact O-CG2 3.2Å; C163-V167 PolarHBondContact O-N 2.81Å; C163-V167 VanDerWaalsContact O-N 3.12Å; C163-A175 HydrophobicContact CB-CB 3.7Å
164	A	98.5	Very high	97.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57	-43.2	177.2	0	0	0	0	0	111.8	E160 A161 V167 K168 F185	E160-A164 WeakPolarHBondContact O-CB 3.36Å; E160-A164 PolarHBondContact O-N 3.22Å; A161-A164 WeakPolarHBondContact O-CB 3.28Å; A161-A164 PolarHBondContact O-N 3.16Å; A164-V167 PolarHBondContact O-N 3.04Å; A164-K168 WeakPolarHBondContact O-CG 3.44Å; A164-K168 PolarHBondContact O-N 3.44Å; A164-F185 HydrophobicContact CB-CB 3.95Å
165	T	98.4	Very high	97.7	Very high	23 Å²	23	20.7 Å²	20.7	14%	0.141	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-43.4	176.7	-64.1	0	0	0	0	112.4	A161 S162 C163 V167 K168 A169 V288 P291	A161-T165 PolarHBondContact O-N 3.45Å; A161-T165 PolarHBondContact O-OG1 3.45Å; S162-T165 PolarHBondContact O-N 2.99Å; C163-T165 VanDerWaalsContact C-N 3.29Å; C163-T165 PolarHBondContact O-N 3.27Å; T165-V167 VanDerWaalsContact C-N 3.27Å; T165-V167 PolarHBondContact O-N 3.47Å; T165-K168 PolarHBondContact O-N 3.12Å; T165-A169 WeakPolarHBondContact O-CB 3.44Å; T165-A169 PolarHBondContact O-N 3.4Å; T165-V288 HydrophobicContact CG2-CG2 4.06Å; T165-P291 HydrophobicContact CG2-CB 4.46Å; T165-P291 HydrophobicContact CG2-CG 4.15Å
166	L	98.5	Very high	97.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-34.5	175.8	-68.6	173.8	0	0	0	112.4	A32 V84 S162 C163 G170 K171 V172 V289 P291 V294	A32-L166 HydrophobicContact CB-CD1 4.21Å; V84-L166 HydrophobicContact CG2-CD1 4.27Å; S162-L166 WeakPolarHBondContact O-CG 3.49Å; S162-L166 PolarHBondContact O-N 3.04Å; C163-L166 PolarHBondContact O-N 3.24Å; L166-G170 PolarHBondContact O-N 3.46Å; L166-K171 HydrophobicContact CD2-CB 4.2Å; L166-K171 HydrophobicContact CD2-CG 4.3Å; L166-K171 PolarHBondContact O-N 2.71Å; L166-V172 HydrophobicContact CB-CG2 3.85Å; L166-V172 PolarHBondContact O-N 3.09Å; L166-V289 HydrophobicContact CD2-CG2 4.39Å; L166-V289 HydrophobicContact CG-CG2 4.47Å; L166-P291 HydrophobicContact CD2-CB 4.26Å; L166-V294 HydrophobicContact CD2-CB 4.21Å; L166-V294 HydrophobicContact CD2-CG1 4.1Å; L166-V294 HydrophobicContact CD2-CG2 4.31Å
167	V	98.6	Very high	97.9	Very high	11 Å²	11	18.6 Å²	18.6	7%	0.067	11%	0.114	C	C	.	.	H	α-helix	trans	-70.4	-47	174.8	-175.3	0	0	0	0	110.9	C163 A164 T165 A169 G170 V172 Y173 A175 P188	C163-V167 WeakPolarHBondContact O-CG2 3.2Å; C163-V167 PolarHBondContact O-N 2.81Å; C163-V167 VanDerWaalsContact O-N 3.12Å; A164-V167 PolarHBondContact O-N 3.04Å; T165-V167 VanDerWaalsContact C-N 3.27Å; T165-V167 PolarHBondContact O-N 3.47Å; V167-A169 PolarHBondContact O-N 3.19Å; V167-G170 PolarHBondContact O-N 3.44Å; V167-V172 HydrophobicContact CB-CG2 4.44Å; V167-V172 HydrophobicContact CG2-CG2 3.67Å; V167-Y173 WeakPolarHBondContact CG1-O 3.07Å; V167-A175 HydrophobicContact CG2-CB 4.12Å; V167-A175 VanDerWaalsContact CG2-N 3.29Å; V167-P188 HydrophobicContact CG1-CB 4.1Å; V167-P188 HydrophobicContact CG1-CG 3.94Å
168	K	97.3	Very high	97.9	Very high	93 Å²	93	19.1 Å²	19.1	40%	0.404	11%	0.114	S	C	.	.	H	α-helix	trans	-56.8	-39.7	176.8	-71.5	179.2	-172.9	177	0	111.9	A164 T165 G170 F185 G186 P188	A164-K168 WeakPolarHBondContact O-CG 3.44Å; A164-K168 PolarHBondContact O-N 3.44Å; T165-K168 PolarHBondContact O-N 3.12Å; K168-G170 PolarHBondContact O-N 2.96Å; K168-F185 VanDerWaalsContact CE-O 3.24Å; K168-F185 WeakPolarHBondContact CE-O 3.32Å; K168-F185 PolarHBondContact NZ-O 2.94Å; K168-G186 WeakPolarHBondContact CE-O 3.43Å; K168-P188 HydrophobicContact CG-CG 4.19Å
169	A	97	Very high	97.9	Very high	46 Å²	46	19 Å²	19	38%	0.38	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.9	177.9	0	0	0	0	0	114	T165 V167 K171 P291	T165-A169 WeakPolarHBondContact O-CB 3.44Å; T165-A169 PolarHBondContact O-N 3.4Å; V167-A169 PolarHBondContact O-N 3.19Å; A169-K171 HydrophobicContact CB-CG 4.02Å; A169-K171 PolarHBondContact O-N 3.18Å; A169-P291 HydrophobicContact CB-CB 3.45Å; A169-P291 VanDerWaalsContact CB-CB 3.45Å; A169-P291 HydrophobicContact CB-CG 3.75Å
170	G	96.3	Very high	97.9	Very high	63 Å²	63	19.3 Å²	19.3	65%	0.649	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	15.6	-178.7	0	0	0	0	0	114.5	L166 V167 K168 V172	L166-G170 PolarHBondContact O-N 3.46Å; V167-G170 PolarHBondContact O-N 3.44Å; K168-G170 PolarHBondContact O-N 2.96Å; G170-V172 VanDerWaalsContact C-N 3.32Å
171	K	97.1	Very high	97.9	Very high	60 Å²	60	19 Å²	19	26%	0.261	11%	0.114	S	C	.	.	S	Bend	trans	-72.7	-30.9	176.7	-58.3	-75.3	167.9	150.6	0	111	K30 L166 A169 P291 D292	K30-K171 WeakPolarHBondContact CD-O 3.46Å; L166-K171 HydrophobicContact CD2-CB 4.2Å; L166-K171 HydrophobicContact CD2-CG 4.3Å; L166-K171 PolarHBondContact O-N 2.71Å; A169-K171 HydrophobicContact CB-CG 4.02Å; A169-K171 PolarHBondContact O-N 3.18Å; K171-P291 WeakPolarHBondContact CE-O 3.35Å; K171-P291 HydrophobicContact CG-CB 4.24Å; K171-P291 PolarHBondContact NZ-O 3.27Å; K171-D292 IonicContact NZ-OD1 2.87Å; K171-D292 PolarHBondContact NZ-OD1 3.37Å
172	V	98.1	Very high	97.9	Very high	9 Å²	9	19 Å²	19	6%	0.055	11%	0.114	C	C	.	.	S	Bend	trans	-136.5	158.6	176.7	-56.3	0	0	0	0	110.4	K30 A32 V82 L166 V167 G170 L296	K30-V172 HydrophobicContact CB-CB 4.2Å; K30-V172 HydrophobicContact CB-CG1 4.09Å; A32-V172 HydrophobicContact CB-CG1 4.42Å; A32-V172 HydrophobicContact CB-CG2 3.84Å; V82-V172 HydrophobicContact CG1-CG1 3.87Å; L166-V172 HydrophobicContact CB-CG2 3.85Å; L166-V172 PolarHBondContact O-N 3.09Å; V167-V172 HydrophobicContact CB-CG2 4.44Å; V167-V172 HydrophobicContact CG2-CG2 3.67Å; G170-V172 VanDerWaalsContact C-N 3.32Å; V172-L296 HydrophobicContact CG1-CD1 3.81Å
173	Y	98.3	Very high	97.9	Very high	48 Å²	48	19 Å²	19	19%	0.188	11%	0.114	C	C	.	.	S	Bend	trans	-73.6	-41.6	-178.5	168.7	-103.2	0	0	0	113	Y26 R29 K30 V167 V189 M191 E206	Y26-Y173 HydrophobicContact CD1-CE1 4.3Å; Y26-Y173 HydrophobicContact CE1-CE1 4.2Å; R29-Y173 HydrophobicContact CB-CD1 4.44Å; R29-Y173 HydrophobicContact CB-CG 4.43Å; R29-Y173 HydrophobicContact CG-CD1 4.27Å; R29-Y173 HydrophobicContact CG-CG 4.22Å; K30-Y173 WeakPolarHBondContact O-CB 3.34Å; K30-Y173 PolarHBondContact O-N 2.67Å; V167-Y173 WeakPolarHBondContact CG1-O 3.07Å; Y173-V189 HydrophobicContact CE1-CG1 4.19Å; Y173-M191 HydrophobicContact CD1-SD 4.19Å; Y173-M191 HydrophobicContact CE1-SD 4.14Å; Y173-E206 PolarHBondContact OH-OE2 3.1Å
174	A	98.7	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	159.9	-174.6	0	0	0	0	0	111.3	V31 A32 V189 M191	V31-A174 WeakPolarHBondContact CA-O 3.32Å; V31-A174 WeakPolarHBondContact CG1-O 3.31Å; A32-A174 PolarHBondContact N-O 2.69Å; A174-V189 WeakPolarHBondContact CA-O 3.44Å; A174-V189 HydrophobicContact CB-CB 3.86Å; A174-V189 HydrophobicContact CB-CG1 3.67Å; A174-V189 WeakPolarHBondContact CB-O 3.38Å; A174-M191 HydrophobicContact CB-CG 3.73Å; A174-M191 HydrophobicContact CB-SD 3.52Å; A174-M191 VanDerWaalsContact CB-SD 3.52Å
175	A	98.8	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	137.7	166.5	0	0	0	0	0	108.7	A32 C163 V167 C182 V189 L190 M191	A32-A175 CarbonylContact O-C 3.54Å; A32-A175 VanDerWaalsContact O-CA 3.32Å; A32-A175 WeakPolarHBondContact O-CA 3.36Å; C163-A175 HydrophobicContact CB-CB 3.7Å; V167-A175 HydrophobicContact CG2-CB 4.12Å; V167-A175 VanDerWaalsContact CG2-N 3.29Å; A175-C182 WeakPolarHBondContact CB-SG 3.19Å; A175-V189 PolarHBondContact N-O 2.95Å; A175-L190 CarbonylContact O-C 3.51Å; A175-L190 WeakPolarHBondContact O-CA 3.19Å; A175-M191 PolarHBondContact O-N 3.1Å
176	A	98.6	Very high	97.9	Very high	3 Å²	3	18.2 Å²	18.2	3%	0.025	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	105.5	177.3	0	0	0	0	0	110.2	V31 A32 I33 D34 M191 L194	V31-A176 HydrophobicContact CG1-CB 3.56Å; A32-A176 PolarHBondContact O-N 3.06Å; I33-A176 HydrophobicContact CG1-CB 4.16Å; D34-A176 PolarHBondContact N-O 2.91Å; A176-M191 VanDerWaalsContact CA-O 3.27Å; A176-M191 WeakPolarHBondContact CA-O 3.37Å; A176-M191 HydrophobicContact CB-CB 4.36Å; A176-L194 HydrophobicContact CB-CB 4.17Å; A176-L194 HydrophobicContact CB-CD2 3.59Å; A176-L194 HydrophobicContact CB-CG 4.5Å
177	T	98.3	Very high	97.9	Very high	6 Å²	6	18.2 Å²	18.2	4%	0.037	11%	0.11	C	C	.	.			trans	-155.3	154.2	177.2	-178.7	0	0	0	0	109.2	D34 E160 D179 C182 L190 M191 R192	D34-T177 PolarHBondContact OD2-OG1 3.17Å; E160-T177 HydrophobicContact CB-CG2 4.39Å; T177-D179 HydrophobicContact CG2-CB 4.29Å; T177-D179 WeakPolarHBondContact CG2-O 3.43Å; T177-D179 PolarHBondContact OG1-N 3.38Å; T177-C182 HydrophobicContact CG2-CB 3.73Å; T177-L190 HydrophobicContact CG2-CD1 3.51Å; T177-M191 PolarHBondContact N-O 2.89Å; T177-R192 VanDerWaalsContact O-CG 3.32Å; T177-R192 WeakPolarHBondContact O-CG 3.34Å
178	E	96.8	Very high	97.9	Very high	19 Å²	19	19.5 Å²	19.5	9%	0.089	12%	0.118	C	C	.	.	S	Bend	trans	-82.6	-2.9	167.6	-63.5	-55.2	141.5	0	0	112.6	M1 M37 R192 H193	M1-E178 PolarHBondContact N-O 3.02Å; M37-E178 HydrophobicContact CE-CB 4.45Å; M37-E178 HydrophobicContact CG-CB 4.41Å; E178-R192 IonicContact OE2-CZ 3.59Å; E178-R192 VanDerWaalsContact OE2-CZ 3.25Å; E178-R192 IonicContact OE2-NE 3.77Å; E178-R192 PolarHBondContact OE2-NE 3.39Å; E178-R192 IonicContact OE2-NH2 3.78Å; E178-R192 PolarHBondContact OE2-NH2 3.09Å; E178-H193 WeakPolarHBondContact OE1-CA 3.43Å; E178-H193 IonicContact OE1-CD2 3.95Å; E178-H193 PolarHBondContact OE1-N 2.95Å; E178-H193 IonicContact OE2-CD2 3.3Å; E178-H193 IonicContact OE2-NE2 2.92Å
179	D	96.6	Very high	98	Very high	10 Å²	10	15.7 Å²	15.7	5%	0.053	10%	0.103	C	C	.	.			trans	-81.1	124.2	175.4	-141.8	-38.1	0	0	0	112.1	M1 G2 T177 D181	M1-D179 VanDerWaalsContact C-CG 3.49Å; M1-D179 WeakPolarHBondContact CB-OD2 3.31Å; G2-D179 WeakPolarHBondContact CA-OD1 3.45Å; G2-D179 PolarHBondContact N-OD1 2.8Å; G2-D179 PolarHBondContact N-OD2 3.44Å; T177-D179 HydrophobicContact CG2-CB 4.29Å; T177-D179 WeakPolarHBondContact CG2-O 3.43Å; T177-D179 PolarHBondContact OG1-N 3.38Å; D179-D181 VanDerWaalsContact C-N 3.35Å; D179-D181 VanDerWaalsContact CB-OD1 3.29Å; D179-D181 WeakPolarHBondContact CB-OD1 3.24Å; D179-D181 VanDerWaalsContact CG-CG 3.4Å; D179-D181 PolarHBondContact OD1-N 2.83Å
180	M	97.9	Very high	98.1	Very high	6 Å²	6	13.5 Å²	13.5	3%	0.03	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-15.8	-175.2	-68.1	-66.1	-59.2	0	0	111.8	M1 L6 A7 I10 C182 L183 L190 R192 F207	M1-M180 PolarHBondContact O-N 3Å; L6-M180 HydrophobicContact CB-CB 4.4Å; L6-M180 HydrophobicContact CD2-CB 4.08Å; L6-M180 HydrophobicContact CD2-CE 4.41Å; L6-M180 HydrophobicContact CG-CE 4.17Å; A7-M180 HydrophobicContact CB-CE 3.94Å; A7-M180 HydrophobicContact CB-CG 4.29Å; A7-M180 HydrophobicContact CB-SD 3.98Å; I10-M180 HydrophobicContact CD1-CE 3.77Å; M180-C182 PolarHBondContact O-N 3.21Å; M180-L183 HydrophobicContact CE-CD1 3.73Å; M180-L183 PolarHBondContact O-N 3.38Å; M180-L190 HydrophobicContact CE-CD2 4.47Å; M180-L190 HydrophobicContact SD-CD2 3.92Å; M180-R192 VanDerWaalsContact SD-CD 3.53Å; M180-F207 HydrophobicContact CE-CD1 4.01Å; M180-F207 HydrophobicContact CE-CE1 3.97Å; M180-F207 HydrophobicContact CE-CG 4.42Å; M180-F207 HydrophobicContact CE-CZ 4.37Å; M180-F207 HydrophobicContact SD-CZ 4.5Å
181	D	97.1	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.5	-17.9	173.7	58.4	8.6	0	0	0	113.4	I3 E160 D179 L183 T184 F185 F283	I3-D181 HydrophobicContact CD1-CB 4.02Å; I3-D181 HydrophobicContact CG1-CB 4.01Å; E160-D181 WeakPolarHBondContact CG-OD1 3.39Å; D179-D181 VanDerWaalsContact C-N 3.35Å; D179-D181 VanDerWaalsContact CB-OD1 3.29Å; D179-D181 WeakPolarHBondContact CB-OD1 3.24Å; D179-D181 VanDerWaalsContact CG-CG 3.4Å; D179-D181 PolarHBondContact OD1-N 2.83Å; D181-L183 PolarHBondContact O-N 2.63Å; D181-T184 CarbonylContact O-C 3.53Å; D181-T184 VanDerWaalsContact O-CA 3.3Å; D181-T184 WeakPolarHBondContact O-CA 3.33Å; D181-T184 WeakPolarHBondContact O-CB 3.24Å; D181-T184 PolarHBondContact O-N 2.76Å; D181-F185 HydrophobicContact CB-CE2 4.49Å; D181-F185 VanDerWaalsContact O-CD2 3.27Å; D181-F185 WeakPolarHBondContact O-CD2 3.33Å; D181-F185 PolarHBondContact O-N 2.98Å; D181-F283 HydrophobicContact CB-CE1 4.08Å
182	C	98.5	Very high	98.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-54	-35.5	168.7	-170.2	0	0	0	0	112.7	E160 A175 T177 M180 G186 S187 L190	E160-C182 HydrophobicContact CB-CB 4.04Å; E160-C182 PolarHBondContact O-SG 3.22Å; A175-C182 WeakPolarHBondContact CB-SG 3.19Å; T177-C182 HydrophobicContact CG2-CB 3.73Å; M180-C182 PolarHBondContact O-N 3.21Å; C182-G186 PolarHBondContact O-N 3.49Å; C182-S187 WeakPolarHBondContact O-CB 3.36Å; C182-S187 PolarHBondContact O-N 3.15Å; C182-S187 VanDerWaalsContact O-N 3.1Å; C182-L190 HydrophobicContact CB-CD1 4.02Å
183	L	98.6	Very high	98.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-69.6	-35.5	172.1	-70.1	169.7	0	0	0	111.6	I10 M180 D181 G186 L190 F207 L209 I212 F223	I10-L183 HydrophobicContact CD1-CD1 4.08Å; M180-L183 HydrophobicContact CE-CD1 3.73Å; M180-L183 PolarHBondContact O-N 3.38Å; D181-L183 PolarHBondContact O-N 2.63Å; L183-G186 VanDerWaalsContact O-CA 3.27Å; L183-G186 WeakPolarHBondContact O-CA 3.43Å; L183-G186 PolarHBondContact O-N 3.2Å; L183-L190 HydrophobicContact CD1-CD2 4.02Å; L183-L190 HydrophobicContact CD2-CB 3.8Å; L183-L190 HydrophobicContact CG-CB 3.99Å; L183-L190 HydrophobicContact CG-CD2 3.8Å; L183-F207 HydrophobicContact CD1-CB 3.92Å; L183-F207 HydrophobicContact CD1-CG 4.4Å; L183-F207 HydrophobicContact CD2-CB 4.25Å; L183-L209 HydrophobicContact CD2-CB 4.06Å; L183-I212 HydrophobicContact CD1-CD1 3.77Å; L183-I212 HydrophobicContact CD2-CD1 4.36Å; L183-F223 HydrophobicContact CB-CE1 4.17Å; L183-F223 HydrophobicContact CB-CZ 4.36Å
184	T	98.4	Very high	98	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.1	-40.1	177.4	-45.2	0	0	0	0	111.1	D181 G186 W220 V224 C227 F283	D181-T184 CarbonylContact O-C 3.53Å; D181-T184 VanDerWaalsContact O-CA 3.3Å; D181-T184 WeakPolarHBondContact O-CA 3.33Å; D181-T184 WeakPolarHBondContact O-CB 3.24Å; D181-T184 PolarHBondContact O-N 2.76Å; T184-G186 PolarHBondContact O-N 3.26Å; T184-W220 PolarHBondContact O-NE1 3.16Å; T184-V224 HydrophobicContact CG2-CB 4.25Å; T184-V224 HydrophobicContact CG2-CG1 4.17Å; T184-V224 HydrophobicContact CG2-CG2 3.93Å; T184-C227 HydrophobicContact CG2-CB 3.69Å; T184-C227 PolarHBondContact OG1-SG 2.93Å; T184-F283 HydrophobicContact CG2-CB 4.14Å; T184-F283 HydrophobicContact CG2-CD1 3.47Å; T184-F283 VanDerWaalsContact CG2-CD1 3.47Å; T184-F283 HydrophobicContact CG2-CD2 3.82Å; T184-F283 HydrophobicContact CG2-CE1 3.66Å; T184-F283 HydrophobicContact CG2-CE2 3.98Å; T184-F283 HydrophobicContact CG2-CG 3.55Å; T184-F283 HydrophobicContact CG2-CZ 3.89Å
185	F	98.5	Very high	97.7	Very high	3 Å²	3	9.2 Å²	9.2	1%	0.013	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-2.6	167.3	-69.9	-62.3	0	0	0	113.6	E160 A161 A164 K168 D181 Y234 F283 P286	E160-F185 HydrophobicContact CG-CD2 3.8Å; E160-F185 HydrophobicContact CG-CE2 3.67Å; A161-F185 HydrophobicContact CB-CB 4.38Å; A161-F185 HydrophobicContact CB-CD1 3.69Å; A161-F185 HydrophobicContact CB-CD2 3.85Å; A161-F185 HydrophobicContact CB-CE1 3.83Å; A161-F185 HydrophobicContact CB-CE2 3.98Å; A161-F185 HydrophobicContact CB-CG 3.71Å; A161-F185 HydrophobicContact CB-CZ 3.97Å; A164-F185 HydrophobicContact CB-CB 3.95Å; K168-F185 VanDerWaalsContact CE-O 3.24Å; K168-F185 WeakPolarHBondContact CE-O 3.32Å; K168-F185 PolarHBondContact NZ-O 2.94Å; D181-F185 HydrophobicContact CB-CE2 4.49Å; D181-F185 VanDerWaalsContact O-CD2 3.27Å; D181-F185 WeakPolarHBondContact O-CD2 3.33Å; D181-F185 PolarHBondContact O-N 2.98Å; F185-Y234 HydrophobicContact CZ-CE2 4.18Å; F185-Y234 AromaticContact CZ-CZ 3.98Å; F185-Y234 WeakPolarHBondContact CZ-OH 3.39Å; F185-F283 AromaticContact CD1-CD1 3.78Å; F185-F283 HydrophobicContact CD1-CD1 3.78Å; F185-F283 HydrophobicContact CD2-CD1 4.33Å; F185-F283 HydrophobicContact CD2-CE1 4.39Å; F185-F283 AromaticContact CE1-CD1 3.58Å; F185-F283 HydrophobicContact CE1-CD1 3.58Å; F185-F283 HydrophobicContact CE1-CE1 4.15Å; F185-F283 HydrophobicContact CE1-CG 4.45Å; F185-F283 HydrophobicContact CE2-CD1 4.16Å; F185-F283 AromaticContact CE2-CE1 3.99Å; F185-F283 HydrophobicContact CE2-CE1 3.99Å; F185-F283 HydrophobicContact CG-CD1 4.14Å; F185-F283 AromaticContact CZ-CD1 3.79Å; F185-F283 HydrophobicContact CZ-CD1 3.79Å; F185-F283 AromaticContact CZ-CE1 3.86Å; F185-F283 HydrophobicContact CZ-CE1 3.86Å; F185-P286 HydrophobicContact CD1-CB 3.92Å; F185-P286 HydrophobicContact CD1-CG 3.92Å; F185-P286 HydrophobicContact CE1-CB 3.84Å; F185-P286 HydrophobicContact CE1-CG 4.36Å
186	G	98.1	Very high	97.3	Very high	5 Å²	5	10 Å²	10	5%	0.052	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	20.5	170.3	0	0	0	0	0	114.3	K168 C182 L183 T184 P188	K168-G186 WeakPolarHBondContact CE-O 3.43Å; C182-G186 PolarHBondContact O-N 3.49Å; L183-G186 VanDerWaalsContact O-CA 3.27Å; L183-G186 WeakPolarHBondContact O-CA 3.43Å; L183-G186 PolarHBondContact O-N 3.2Å; T184-G186 PolarHBondContact O-N 3.26Å; G186-P188 WeakPolarHBondContact O-CD 3.4Å
187	S	98.6	Very high	96.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.			trans	-58.3	120.9	175.2	-174.7	0	0	0	0	110.5	C182 V189 L209	C182-S187 WeakPolarHBondContact O-CB 3.36Å; C182-S187 PolarHBondContact O-N 3.15Å; C182-S187 VanDerWaalsContact O-N 3.1Å; S187-V189 PolarHBondContact O-N 3.4Å; S187-V189 PolarHBondContact OG-O 3.48Å; S187-L209 VanDerWaalsContact O-CB 3.28Å; S187-L209 WeakPolarHBondContact O-CB 2.89Å
188	P	98.6	Very high	96.1	Very high	38 Å²	38	16.9 Å²	16.9	25%	0.247	9%	0.09	C	C	.	.	S	Bend	trans	-57.8	-36.4	177.2	-27.9	34.8	0	0	0	113.8	V167 K168 G186 L209	V167-P188 HydrophobicContact CG1-CB 4.1Å; V167-P188 HydrophobicContact CG1-CG 3.94Å; K168-P188 HydrophobicContact CG-CG 4.19Å; G186-P188 WeakPolarHBondContact O-CD 3.4Å; P188-L209 PolarHBondContact O-N 2.94Å
189	V	98.7	Very high	95.6	Very high	14 Å²	14	20.1 Å²	20.1	9%	0.085	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	120.3	-179.4	-173.3	0	0	0	0	109.8	Y173 A174 A175 S187 E206 F207	Y173-V189 HydrophobicContact CE1-CG1 4.19Å; A174-V189 WeakPolarHBondContact CA-O 3.44Å; A174-V189 HydrophobicContact CB-CB 3.86Å; A174-V189 HydrophobicContact CB-CG1 3.67Å; A174-V189 WeakPolarHBondContact CB-O 3.38Å; A175-V189 PolarHBondContact N-O 2.95Å; S187-V189 PolarHBondContact O-N 3.4Å; S187-V189 PolarHBondContact OG-O 3.48Å; V189-E206 HydrophobicContact CG1-CG 4.24Å; V189-F207 WeakPolarHBondContact CA-O 3.43Å
190	L	98.7	Very high	95	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.1	171.2	169.3	64.6	0	0	0	109.6	A175 T177 M180 C182 L183 R192 E206 F207	A175-L190 CarbonylContact O-C 3.51Å; A175-L190 WeakPolarHBondContact O-CA 3.19Å; T177-L190 HydrophobicContact CG2-CD1 3.51Å; M180-L190 HydrophobicContact CE-CD2 4.47Å; M180-L190 HydrophobicContact SD-CD2 3.92Å; C182-L190 HydrophobicContact CB-CD1 4.02Å; L183-L190 HydrophobicContact CD1-CD2 4.02Å; L183-L190 HydrophobicContact CD2-CB 3.8Å; L183-L190 HydrophobicContact CG-CB 3.99Å; L183-L190 HydrophobicContact CG-CD2 3.8Å; L190-R192 HydrophobicContact CG-CG 4.44Å; L190-E206 CarbonylContact O-C 3.55Å; L190-E206 VanDerWaalsContact O-CA 3.31Å; L190-E206 WeakPolarHBondContact O-CA 3.26Å; L190-F207 HydrophobicContact CB-CB 4.29Å; L190-F207 PolarHBondContact N-O 3.49Å; L190-F207 PolarHBondContact O-N 2.91Å
191	M	98.6	Very high	94.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.8	175.8	-69.8	175.3	68.8	0	0	110.8	Y26 V31 Y173 A174 A175 A176 T177 L194 V204 Q205 E206	Y26-M191 HydrophobicContact CD1-CE 3.55Å; Y26-M191 HydrophobicContact CD1-SD 4.2Å; Y26-M191 HydrophobicContact CD2-CE 3.93Å; Y26-M191 HydrophobicContact CE1-CE 3.32Å; Y26-M191 HydrophobicContact CE1-SD 3.96Å; Y26-M191 HydrophobicContact CE2-CE 3.75Å; Y26-M191 HydrophobicContact CG-CE 3.84Å; Y26-M191 VanDerWaalsContact CZ-CE 3.42Å; V31-M191 HydrophobicContact CG1-SD 4.5Å; V31-M191 HydrophobicContact CG2-SD 4.23Å; Y173-M191 HydrophobicContact CD1-SD 4.19Å; Y173-M191 HydrophobicContact CE1-SD 4.14Å; A174-M191 HydrophobicContact CB-CG 3.73Å; A174-M191 HydrophobicContact CB-SD 3.52Å; A174-M191 VanDerWaalsContact CB-SD 3.52Å; A175-M191 PolarHBondContact O-N 3.1Å; A176-M191 VanDerWaalsContact CA-O 3.27Å; A176-M191 WeakPolarHBondContact CA-O 3.37Å; A176-M191 HydrophobicContact CB-CB 4.36Å; T177-M191 PolarHBondContact N-O 2.89Å; M191-L194 HydrophobicContact CE-CD1 4.36Å; M191-L194 HydrophobicContact CE-CD2 4.46Å; M191-V204 HydrophobicContact CB-CG1 4.32Å; M191-V204 HydrophobicContact CE-CG1 3.41Å; M191-V204 VanDerWaalsContact CE-CG1 3.41Å; M191-Q205 CarbonylContact C-O 3.52Å; M191-Q205 VanDerWaalsContact CA-O 3.31Å; M191-Q205 WeakPolarHBondContact CA-O 3.36Å; M191-E206 HydrophobicContact CG-CG 3.81Å
192	R	98.1	Very high	94.3	Very high	46 Å²	46	38.2 Å²	38.2	17%	0.174	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	156.3	173	-67	-173.5	59	-151.9	-9	111	T177 E178 M180 L190 L194 Q205 F207	T177-R192 VanDerWaalsContact O-CG 3.32Å; T177-R192 WeakPolarHBondContact O-CG 3.34Å; E178-R192 IonicContact OE2-CZ 3.59Å; E178-R192 VanDerWaalsContact OE2-CZ 3.25Å; E178-R192 IonicContact OE2-NE 3.77Å; E178-R192 PolarHBondContact OE2-NE 3.39Å; E178-R192 IonicContact OE2-NH2 3.78Å; E178-R192 PolarHBondContact OE2-NH2 3.09Å; M180-R192 VanDerWaalsContact SD-CD 3.53Å; L190-R192 HydrophobicContact CG-CG 4.44Å; R192-L194 PolarHBondContact O-N 3.15Å; R192-Q205 HydrophobicContact CB-CB 4.32Å; R192-Q205 PolarHBondContact N-O 3Å; R192-Q205 PolarHBondContact O-N 3.03Å; R192-F207 HydrophobicContact CB-CE2 4.39Å; R192-F207 HydrophobicContact CG-CD2 4.43Å; R192-F207 HydrophobicContact CG-CE2 4.07Å
193	H	96.6	Very high	94.1	Very high	30 Å²	30	40.5 Å²	40.5	14%	0.139	22%	0.216	C	C	.	.	S	Bend	trans	68	10.8	-179.2	-43.9	150.4	0	0	0	115.6	E178 A196 L202 P203	E178-H193 WeakPolarHBondContact OE1-CA 3.43Å; E178-H193 IonicContact OE1-CD2 3.95Å; E178-H193 PolarHBondContact OE1-N 2.95Å; E178-H193 IonicContact OE2-CD2 3.3Å; E178-H193 IonicContact OE2-NE2 2.92Å; H193-A196 HydrophobicContact CB-CB 4.15Å; H193-A196 VanDerWaalsContact O-CB 3.24Å; H193-A196 WeakPolarHBondContact O-CB 3.08Å; H193-A196 PolarHBondContact O-N 3.3Å; H193-L202 HydrophobicContact CB-CB 4.19Å; H193-P203 PolarHBondContact ND1-O 3.33Å
194	L	96.2	Very high	94.1	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-42.8	179.1	-175.3	63.1	0	0	0	112.1	I23 V31 M74 I79 A176 M191 R192 A196 V204	I23-L194 HydrophobicContact CD1-CD1 4.06Å; I23-L194 HydrophobicContact CG1-CD1 4.22Å; V31-L194 HydrophobicContact CB-CD2 4.44Å; V31-L194 HydrophobicContact CG1-CD2 3.78Å; M74-L194 HydrophobicContact CG-CD1 4.39Å; M74-L194 HydrophobicContact CG-CG 4.43Å; M74-L194 HydrophobicContact SD-CD1 4.33Å; M74-L194 HydrophobicContact SD-CD2 3.84Å; M74-L194 HydrophobicContact SD-CG 3.77Å; I79-L194 HydrophobicContact CD1-CD1 3.81Å; A176-L194 HydrophobicContact CB-CB 4.17Å; A176-L194 HydrophobicContact CB-CD2 3.59Å; A176-L194 HydrophobicContact CB-CG 4.5Å; M191-L194 HydrophobicContact CE-CD1 4.36Å; M191-L194 HydrophobicContact CE-CD2 4.46Å; R192-L194 PolarHBondContact O-N 3.15Å; L194-A196 VanDerWaalsContact C-N 3.27Å; L194-A196 PolarHBondContact O-N 3.46Å; L194-V204 HydrophobicContact CD1-CG2 4.28Å
195	T	92.3	Very high	94	Very high	10 Å²	10	42.4 Å²	42.4	6%	0.061	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.6	177.6	57.2	0	0	0	0	113.4	I33 S38 Q41 R70	I33-T195 HydrophobicContact CG2-CG2 3.86Å; S38-T195 WeakPolarHBondContact OG-CG2 3.3Å; Q41-T195 PolarHBondContact OE1-OG1 2.95Å; R70-T195 VanDerWaalsContact CD-O 3.26Å; R70-T195 WeakPolarHBondContact CD-O 3.28Å; R70-T195 PolarHBondContact NE-O 2.84Å
196	A	89.6	Confident	94	Very high	17 Å²	17	42.4 Å²	42.4	14%	0.14	23%	0.225	C	C	.	.	S	Bend	trans	-64.6	157.3	179.9	0	0	0	0	0	111.9	R70 R73 H193 L194 E198 L202	R70-A196 PolarHBondContact NE-O 2.95Å; R73-A196 PolarHBondContact NH1-O 2.78Å; H193-A196 HydrophobicContact CB-CB 4.15Å; H193-A196 VanDerWaalsContact O-CB 3.24Å; H193-A196 WeakPolarHBondContact O-CB 3.08Å; H193-A196 PolarHBondContact O-N 3.3Å; L194-A196 VanDerWaalsContact C-N 3.27Å; L194-A196 PolarHBondContact O-N 3.46Å; A196-E198 PolarHBondContact O-N 3.17Å; A196-L202 HydrophobicContact CB-CD1 4.3Å
197	S	87	Confident	94.1	Very high	33 Å²	33	42.3 Å²	42.3	23%	0.231	22%	0.223	C	C	.	.			trans	-65.4	132.1	176.7	-167.1	0	0	0	0	112.7	R70 A199 K200	R70-S197 PolarHBondContact NH2-OG 3.47Å; S197-A199 PolarHBondContact O-N 3.46Å; S197-A199 PolarHBondContact OG-N 3.21Å; S197-K200 WeakPolarHBondContact O-CB 3.47Å; S197-K200 PolarHBondContact O-N 3.18Å
198	E	84.2	Confident	94.1	Very high	120 Å²	120	43.7 Å²	43.7	56%	0.561	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-55.1	-36	172.6	-175.9	173.8	-165.1	0	0	111.6	A196 K200 K201	A196-E198 PolarHBondContact O-N 3.17Å; E198-K200 PolarHBondContact O-N 2.7Å; E198-K200 VanDerWaalsContact O-N 3.15Å; E198-K201 PolarHBondContact O-N 3Å
199	A	86	Confident	94.1	Very high	86 Å²	86	42.2 Å²	42.2	71%	0.711	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-59.3	-26.6	176.1	0	0	0	0	0	113.4	S197 K201	S197-A199 PolarHBondContact O-N 3.46Å; S197-A199 PolarHBondContact OG-N 3.21Å; A199-K201 VanDerWaalsContact C-N 3.3Å
200	K	85.8	Confident	94	Very high	135 Å²	135	47.1 Å²	47.1	59%	0.587	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-77.9	-14.8	177	-66	-175.5	175.2	-174.4	0	113	S197 E198 L202	S197-K200 WeakPolarHBondContact O-CB 3.47Å; S197-K200 PolarHBondContact O-N 3.18Å; E198-K200 PolarHBondContact O-N 2.7Å; E198-K200 VanDerWaalsContact O-N 3.15Å; K200-L202 HydrophobicContact CB-CD1 4.21Å; K200-L202 HydrophobicContact CB-CG 3.96Å; K200-L202 HydrophobicContact CD-CD1 4.27Å; K200-L202 PolarHBondContact O-N 3.37Å; K200-L202 VanDerWaalsContact O-N 3.07Å
201	K	87.6	Confident	94	Very high	188 Å²	188	51.2 Å²	51.2	82%	0.817	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	34.5	179.9	-57.9	-179	-178.9	178.7	0	113.7	E198 A199	E198-K201 PolarHBondContact O-N 3Å; A199-K201 VanDerWaalsContact C-N 3.3Å
202	L	91.6	Very high	94	Very high	73 Å²	73	51.1 Å²	51.1	38%	0.382	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-76.9	130.7	177.3	-64.7	175.3	0	0	0	109.4	H193 A196 K200	H193-L202 HydrophobicContact CB-CB 4.19Å; A196-L202 HydrophobicContact CB-CD1 4.3Å; K200-L202 HydrophobicContact CB-CD1 4.21Å; K200-L202 HydrophobicContact CB-CG 3.96Å; K200-L202 HydrophobicContact CD-CD1 4.27Å; K200-L202 PolarHBondContact O-N 3.37Å; K200-L202 VanDerWaalsContact O-N 3.07Å
203	P	95.3	Very high	94	Very high	48 Å²	48	50.1 Å²	50.1	31%	0.312	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-66.7	152.1	170.3	30.5	-34.3	0	0	0	109.8	E20 H193 Q205	E20-P203 HydrophobicContact CB-CB 4.2Å; E20-P203 HydrophobicContact CB-CG 4.38Å; H193-P203 PolarHBondContact ND1-O 3.33Å; P203-Q205 PolarHBondContact O-N 3.21Å
204	V	97.4	Very high	94	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	125	174.4	-177.9	0	0	0	0	107.8	E20 N21 I23 Y26 M191 L194	E20-V204 WeakPolarHBondContact CA-O 3.33Å; N21-V204 PolarHBondContact N-O 3.16Å; N21-V204 PolarHBondContact O-N 3.5Å; I23-V204 HydrophobicContact CB-CG2 4.3Å; Y26-V204 HydrophobicContact CE2-CB 3.78Å; Y26-V204 HydrophobicContact CE2-CG1 3.81Å; Y26-V204 HydrophobicContact CE2-CG2 4.16Å; M191-V204 HydrophobicContact CB-CG1 4.32Å; M191-V204 HydrophobicContact CE-CG1 3.41Å; M191-V204 VanDerWaalsContact CE-CG1 3.41Å; L194-V204 HydrophobicContact CD1-CG2 4.28Å
205	Q	97.7	Very high	94	Very high	39 Å²	39	56.8 Å²	56.8	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.8	-179.7	-71	-172.4	-14.4	0	0	110.2	R19 E20 M191 R192 P203 F207	R19-Q205 CarbonylContact O-C 3.53Å; R19-Q205 WeakPolarHBondContact O-CA 3.25Å; E20-Q205 HydrophobicContact CG-CG 4.15Å; E20-Q205 PolarHBondContact OE1-NE2 3.25Å; M191-Q205 CarbonylContact C-O 3.52Å; M191-Q205 VanDerWaalsContact CA-O 3.31Å; M191-Q205 WeakPolarHBondContact CA-O 3.36Å; R192-Q205 HydrophobicContact CB-CB 4.32Å; R192-Q205 PolarHBondContact N-O 3Å; R192-Q205 PolarHBondContact O-N 3.03Å; P203-Q205 PolarHBondContact O-N 3.21Å; Q205-F207 HydrophobicContact CB-CE2 4.02Å
206	E	98.1	Very high	94.2	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.019	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.1	171.8	-79.8	172.9	-117	0	0	111.1	I18 R19 N21 Y26 Y173 V189 L190 M191 H208	I18-E206 CarbonylContact C-O 3.42Å; I18-E206 VanDerWaalsContact CA-O 3.26Å; I18-E206 WeakPolarHBondContact CA-O 3.3Å; R19-E206 HydrophobicContact CB-CB 4.28Å; R19-E206 PolarHBondContact N-O 2.73Å; R19-E206 PolarHBondContact O-N 3.27Å; N21-E206 PolarHBondContact ND2-OE1 2.92Å; Y26-E206 HydrophobicContact CE1-CG 4.29Å; Y26-E206 WeakPolarHBondContact CE1-OE1 3.42Å; Y26-E206 WeakPolarHBondContact OH-CG 3.5Å; Y26-E206 PolarHBondContact OH-OE1 2.86Å; Y173-E206 PolarHBondContact OH-OE2 3.1Å; V189-E206 HydrophobicContact CG1-CG 4.24Å; L190-E206 CarbonylContact O-C 3.55Å; L190-E206 VanDerWaalsContact O-CA 3.31Å; L190-E206 WeakPolarHBondContact O-CA 3.26Å; M191-E206 HydrophobicContact CG-CG 3.81Å; E206-H208 IonicContact OE2-CE1 3.83Å; E206-H208 PolarHBondContact OE2-CE1 3.46Å; E206-H208 IonicContact OE2-NE2 2.79Å; E206-H208 PolarHBondContact OE2-NE2 3.25Å
207	F	98.7	Very high	94.6	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.009	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.6	169.4	-63.8	-101.1	0	0	0	108.5	I10 A17 I18 M180 L183 V189 L190 R192 Q205 I212	I10-F207 HydrophobicContact CD1-CD1 4.11Å; I10-F207 HydrophobicContact CD1-CE1 4.48Å; I10-F207 HydrophobicContact CG2-CD1 4.2Å; I10-F207 HydrophobicContact CG2-CE1 4.45Å; A17-F207 WeakPolarHBondContact O-CA 3.28Å; I18-F207 HydrophobicContact CD1-CD1 4.23Å; I18-F207 HydrophobicContact CD1-CE1 3.58Å; I18-F207 HydrophobicContact CD1-CZ 4.23Å; I18-F207 HydrophobicContact CG1-CD1 3.86Å; I18-F207 HydrophobicContact CG1-CE1 3.7Å; I18-F207 HydrophobicContact CG1-CZ 4.45Å; I18-F207 HydrophobicContact CG2-CE1 4.48Å; I18-F207 HydrophobicContact CG2-CZ 4.44Å; M180-F207 HydrophobicContact CE-CD1 4.01Å; M180-F207 HydrophobicContact CE-CE1 3.97Å; M180-F207 HydrophobicContact CE-CG 4.42Å; M180-F207 HydrophobicContact CE-CZ 4.37Å; M180-F207 HydrophobicContact SD-CZ 4.5Å; L183-F207 HydrophobicContact CD1-CB 3.92Å; L183-F207 HydrophobicContact CD1-CG 4.4Å; L183-F207 HydrophobicContact CD2-CB 4.25Å; V189-F207 WeakPolarHBondContact CA-O 3.43Å; L190-F207 HydrophobicContact CB-CB 4.29Å; L190-F207 PolarHBondContact N-O 3.49Å; L190-F207 PolarHBondContact O-N 2.91Å; R192-F207 HydrophobicContact CB-CE2 4.39Å; R192-F207 HydrophobicContact CG-CD2 4.43Å; R192-F207 HydrophobicContact CG-CE2 4.07Å; Q205-F207 HydrophobicContact CB-CE2 4.02Å; F207-I212 HydrophobicContact CB-CD1 4.47Å
208	H	98.6	Very high	95.1	Very high	30 Å²	30	60.5 Å²	60.5	14%	0.139	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	104.8	-178.6	-74.3	-102.6	0	0	0	110.3	A17 E206 N210 R211 I212	A17-H208 PolarHBondContact O-N 3.02Å; E206-H208 IonicContact OE2-CE1 3.83Å; E206-H208 PolarHBondContact OE2-CE1 3.46Å; E206-H208 IonicContact OE2-NE2 2.79Å; E206-H208 PolarHBondContact OE2-NE2 3.25Å; H208-N210 VanDerWaalsContact C-N 3.33Å; H208-N210 PolarHBondContact O-N 3.49Å; H208-R211 HydrophobicContact CB-CB 4.18Å; H208-R211 PolarHBondContact O-N 3.24Å; H208-I212 WeakPolarHBondContact O-CG1 3.46Å; H208-I212 PolarHBondContact O-N 3.33Å
209	L	98.6	Very high	95.8	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-56.4	-44.9	-174.1	178.7	61.4	0	0	0	112.4	L183 S187 P188 R211 I212 L213 F223	L183-L209 HydrophobicContact CD2-CB 4.06Å; S187-L209 VanDerWaalsContact O-CB 3.28Å; S187-L209 WeakPolarHBondContact O-CB 2.89Å; P188-L209 PolarHBondContact O-N 2.94Å; L209-R211 PolarHBondContact O-N 3.31Å; L209-I212 WeakPolarHBondContact O-CA 3.41Å; L209-I212 WeakPolarHBondContact O-CB 3.38Å; L209-I212 PolarHBondContact O-N 3.41Å; L209-L213 HydrophobicContact CD1-CD1 4.33Å; L209-L213 HydrophobicContact CD1-CD2 4.25Å; L209-L213 HydrophobicContact CD1-CG 4.03Å; L209-L213 HydrophobicContact CG-CD1 4.08Å; L209-L213 HydrophobicContact CG-CG 4.21Å; L209-L213 WeakPolarHBondContact O-CG 3.24Å; L209-L213 PolarHBondContact O-N 2.88Å; L209-F223 HydrophobicContact CD1-CD1 4.03Å; L209-F223 HydrophobicContact CD1-CE1 3.86Å; L209-F223 HydrophobicContact CD1-CZ 4.33Å
210	N	97.4	Very high	96.3	Very high	117 Å²	117	56.5 Å²	56.5	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-58.8	-33.4	179	-69.2	-20.7	0	0	0	112.5	H208 Q214	H208-N210 VanDerWaalsContact C-N 3.33Å; H208-N210 PolarHBondContact O-N 3.49Å; N210-Q214 VanDerWaalsContact O-CB 3.28Å; N210-Q214 WeakPolarHBondContact O-CB 3.49Å; N210-Q214 PolarHBondContact O-N 2.81Å
211	R	98	Very high	96.9	Very high	85 Å²	85	54.6 Å²	54.6	32%	0.321	27%	0.267	S	S	.	.	H	α-helix	trans	-76.1	-37	174.7	-84.6	-65	176.3	-171	-8	112.8	A17 H208 L209 Q214 D215	A17-R211 HydrophobicContact CB-CB 3.67Å; H208-R211 HydrophobicContact CB-CB 4.18Å; H208-R211 PolarHBondContact O-N 3.24Å; L209-R211 PolarHBondContact O-N 3.31Å; R211-Q214 PolarHBondContact O-N 2.65Å; R211-D215 WeakPolarHBondContact O-CB 3.36Å; R211-D215 VanDerWaalsContact O-CG 3.28Å; R211-D215 PolarHBondContact O-N 3.2Å
212	I	98.4	Very high	97.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.8	-51.2	172.4	-61.5	170.5	0	0	0	109.9	I10 A17 L183 F207 H208 L209 Q214 D215 L216 F223	I10-I212 HydrophobicContact CD1-CD1 3.63Å; I10-I212 HydrophobicContact CD1-CG1 4.43Å; I10-I212 HydrophobicContact CG1-CD1 4.16Å; I10-I212 HydrophobicContact CG1-CG1 4.45Å; I10-I212 HydrophobicContact CG1-CG2 4.38Å; I10-I212 HydrophobicContact CG2-CD1 4.21Å; I10-I212 HydrophobicContact CG2-CG1 4.04Å; A17-I212 HydrophobicContact CB-CB 4.47Å; A17-I212 HydrophobicContact CB-CG1 3.51Å; L183-I212 HydrophobicContact CD1-CD1 3.77Å; L183-I212 HydrophobicContact CD2-CD1 4.36Å; F207-I212 HydrophobicContact CB-CD1 4.47Å; H208-I212 WeakPolarHBondContact O-CG1 3.46Å; H208-I212 PolarHBondContact O-N 3.33Å; L209-I212 WeakPolarHBondContact O-CA 3.41Å; L209-I212 WeakPolarHBondContact O-CB 3.38Å; L209-I212 PolarHBondContact O-N 3.41Å; I212-Q214 VanDerWaalsContact C-N 3.34Å; I212-Q214 PolarHBondContact O-N 2.83Å; I212-D215 PolarHBondContact O-N 3.31Å; I212-L216 HydrophobicContact CG2-CD1 3.69Å; I212-L216 HydrophobicContact CG2-CG 4.46Å; I212-L216 VanDerWaalsContact O-CB 3.23Å; I212-L216 WeakPolarHBondContact O-CB 3.41Å; I212-L216 WeakPolarHBondContact O-CG 2.82Å; I212-L216 PolarHBondContact O-N 3.32Å; I212-F223 HydrophobicContact CG2-CD2 4.17Å; I212-F223 HydrophobicContact CG2-CE2 3.66Å; I212-F223 HydrophobicContact CG2-CZ 4.33Å
213	L	98.3	Very high	97.8	Very high	24 Å²	24	43.6 Å²	43.6	13%	0.126	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-42.9	179.3	-65	-178.3	0	0	0	111.9	L209 D217 L218 W220 F223	L209-L213 HydrophobicContact CD1-CD1 4.33Å; L209-L213 HydrophobicContact CD1-CD2 4.25Å; L209-L213 HydrophobicContact CD1-CG 4.03Å; L209-L213 HydrophobicContact CG-CD1 4.08Å; L209-L213 HydrophobicContact CG-CG 4.21Å; L209-L213 WeakPolarHBondContact O-CG 3.24Å; L209-L213 PolarHBondContact O-N 2.88Å; L213-D217 WeakPolarHBondContact O-CA 3.43Å; L213-D217 PolarHBondContact O-N 2.91Å; L213-L218 WeakPolarHBondContact CB-O 3.43Å; L213-L218 PolarHBondContact O-N 3.23Å; L213-W220 HydrophobicContact CD1-CB 4.18Å; L213-F223 HydrophobicContact CD2-CB 3.44Å; L213-F223 VanDerWaalsContact CD2-CB 3.44Å; L213-F223 HydrophobicContact CD2-CD1 4.46Å; L213-F223 HydrophobicContact CD2-CD2 4.24Å; L213-F223 HydrophobicContact CD2-CG 3.81Å
214	Q	97.6	Very high	98	Very high	116 Å²	116	41.3 Å²	41.3	54%	0.542	20%	0.202	S	C	.	.	H	α-helix	trans	-66.1	-47.4	178.3	-179	172	10.7	0	0	112.9	N210 R211 I212 L216 D217	N210-Q214 VanDerWaalsContact O-CB 3.28Å; N210-Q214 WeakPolarHBondContact O-CB 3.49Å; N210-Q214 PolarHBondContact O-N 2.81Å; R211-Q214 PolarHBondContact O-N 2.65Å; I212-Q214 VanDerWaalsContact C-N 3.34Å; I212-Q214 PolarHBondContact O-N 2.83Å; Q214-L216 VanDerWaalsContact C-N 3.32Å; Q214-D217 PolarHBondContact O-N 3.21Å
215	D	96.9	Very high	98	Very high	58 Å²	58	41.3 Å²	41.3	31%	0.31	20%	0.202	S	C	.	.	H	α-helix	trans	-71.2	-32.7	-177.1	-69.1	-3.3	0	0	0	111.1	A14 R211 I212	A14-D215 HydrophobicContact CB-CB 3.66Å; R211-D215 WeakPolarHBondContact O-CB 3.36Å; R211-D215 VanDerWaalsContact O-CG 3.28Å; R211-D215 PolarHBondContact O-N 3.2Å; I212-D215 PolarHBondContact O-N 3.31Å
216	L	95.9	Very high	98.1	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-79.8	-14.8	173	-72	176.1	0	0	0	113.5	V13 I212 Q214 L218 F223 L226 I247 K251	V13-L216 HydrophobicContact CB-CD2 4.37Å; V13-L216 HydrophobicContact CG2-CD2 3.46Å; V13-L216 VanDerWaalsContact CG2-CD2 3.46Å; V13-L216 HydrophobicContact CG2-CG 4.35Å; I212-L216 HydrophobicContact CG2-CD1 3.69Å; I212-L216 HydrophobicContact CG2-CG 4.46Å; I212-L216 VanDerWaalsContact O-CB 3.23Å; I212-L216 WeakPolarHBondContact O-CB 3.41Å; I212-L216 WeakPolarHBondContact O-CG 2.82Å; I212-L216 PolarHBondContact O-N 3.32Å; Q214-L216 VanDerWaalsContact C-N 3.32Å; L216-L218 HydrophobicContact CB-CB 4.39Å; L216-L218 HydrophobicContact CB-CD1 3.92Å; L216-L218 HydrophobicContact CB-CG 3.86Å; L216-L218 HydrophobicContact CD1-CD1 4.13Å; L216-F223 HydrophobicContact CD1-CD2 4.39Å; L216-L226 HydrophobicContact CD1-CD2 4.19Å; L216-I247 HydrophobicContact CD2-CD1 4.05Å; L216-K251 WeakPolarHBondContact O-CE 3.27Å; L216-K251 PolarHBondContact O-NZ 2.81Å
217	D	97.1	Very high	98.1	Very high	119 Å²	119	39.3 Å²	39.3	64%	0.636	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	50.7	-171.2	-171.4	41.7	0	0	0	112.2	L213 Q214	L213-D217 WeakPolarHBondContact O-CA 3.43Å; L213-D217 PolarHBondContact O-N 2.91Å; Q214-D217 PolarHBondContact O-N 3.21Å
218	L	97.9	Very high	98.1	Very high	13 Å²	13	39.2 Å²	39.2	7%	0.068	19%	0.192	C	C	.	.			trans	-125.1	147.3	-179.8	-62.8	-179	0	0	0	111	L213 L216 Q222 L226 I250 K251	L213-L218 WeakPolarHBondContact CB-O 3.43Å; L213-L218 PolarHBondContact O-N 3.23Å; L216-L218 HydrophobicContact CB-CB 4.39Å; L216-L218 HydrophobicContact CB-CD1 3.92Å; L216-L218 HydrophobicContact CB-CG 3.86Å; L216-L218 HydrophobicContact CD1-CD1 4.13Å; L218-Q222 HydrophobicContact CB-CB 4.15Å; L218-Q222 HydrophobicContact CD2-CB 4.15Å; L218-L226 HydrophobicContact CD1-CD2 3.88Å; L218-I250 HydrophobicContact CD1-CG2 4.23Å; L218-I250 HydrophobicContact CD2-CG2 3.69Å; L218-K251 HydrophobicContact CD2-CG 4.17Å
219	T	98.3	Very high	98	Very high	63 Å²	63	37.8 Å²	37.8	39%	0.387	19%	0.186	S	C	.	.			trans	-75.8	167.4	163.2	77.8	0	0	0	0	110.4	E221 Q222 F223	T219-E221 VanDerWaalsContact C-N 3.32Å; T219-E221 WeakPolarHBondContact CB-OE2 3.19Å; T219-E221 PolarHBondContact O-N 3.43Å; T219-E221 PolarHBondContact OG1-OE2 3.22Å; T219-Q222 VanDerWaalsContact N-OE1 3.1Å; T219-Q222 PolarHBondContact O-N 2.94Å; T219-Q222 WeakPolarHBondContact OG1-CG 3.25Å; T219-Q222 PolarHBondContact OG1-N 2.85Å; T219-F223 WeakPolarHBondContact O-CB 3.13Å; T219-F223 PolarHBondContact O-N 3.04Å
220	W	98.1	Very high	98	Very high	59 Å²	59	38.1 Å²	38.1	22%	0.223	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-40.3	177.7	176.6	41.9	0	0	0	111.9	T184 L213 Q222 F223 V224 L284	T184-W220 PolarHBondContact O-NE1 3.16Å; L213-W220 HydrophobicContact CD1-CB 4.18Å; W220-Q222 VanDerWaalsContact C-N 3.35Å; W220-Q222 PolarHBondContact O-N 3.22Å; W220-F223 CarbonylContact O-C 3.59Å; W220-F223 WeakPolarHBondContact O-CA 3.29Å; W220-F223 WeakPolarHBondContact O-CB 3.36Å; W220-F223 PolarHBondContact O-N 3.36Å; W220-F223 VanDerWaalsContact O-N 3.12Å; W220-V224 WeakPolarHBondContact O-CG2 3.32Å; W220-V224 PolarHBondContact O-N 3.29Å; W220-L284 HydrophobicContact CD2-CD2 4Å; W220-L284 HydrophobicContact CE3-CD2 3.83Å; W220-L284 HydrophobicContact CH2-CB 4.42Å; W220-L284 HydrophobicContact CH2-CD2 3.67Å; W220-L284 HydrophobicContact CZ2-CD2 3.83Å; W220-L284 HydrophobicContact CZ3-CD2 3.67Å
221	E	98.3	Very high	97.9	Very high	94 Å²	94	33.1 Å²	33.1	44%	0.439	16%	0.163	S	C	.	.	H	α-helix	trans	-63.1	-41.3	177.3	-53.8	80.6	-179.4	0	0	111.5	T219 F223 V224 D225 L284	T219-E221 VanDerWaalsContact C-N 3.32Å; T219-E221 WeakPolarHBondContact CB-OE2 3.19Å; T219-E221 PolarHBondContact O-N 3.43Å; T219-E221 PolarHBondContact OG1-OE2 3.22Å; E221-F223 VanDerWaalsContact C-N 3.29Å; E221-F223 PolarHBondContact O-N 3.19Å; E221-V224 WeakPolarHBondContact O-CB 3.14Å; E221-V224 PolarHBondContact O-N 3.5Å; E221-D225 PolarHBondContact O-N 3.33Å; E221-L284 HydrophobicContact CG-CD1 4.36Å; E221-L284 HydrophobicContact CG-CD2 4.3Å
222	Q	98.6	Very high	97.9	Very high	31 Å²	31	29.7 Å²	29.7	15%	0.145	15%	0.153	C	C	.	.	H	α-helix	trans	-66.7	-33.4	175.1	-65.3	171.3	-3.1	0	0	111.8	L218 T219 W220 D225 L226 I250 K254	L218-Q222 HydrophobicContact CB-CB 4.15Å; L218-Q222 HydrophobicContact CD2-CB 4.15Å; T219-Q222 VanDerWaalsContact N-OE1 3.1Å; T219-Q222 PolarHBondContact O-N 2.94Å; T219-Q222 WeakPolarHBondContact OG1-CG 3.25Å; T219-Q222 PolarHBondContact OG1-N 2.85Å; W220-Q222 VanDerWaalsContact C-N 3.35Å; W220-Q222 PolarHBondContact O-N 3.22Å; Q222-D225 PolarHBondContact O-N 2.9Å; Q222-L226 WeakPolarHBondContact O-CB 3.27Å; Q222-L226 PolarHBondContact O-N 2.59Å; Q222-I250 HydrophobicContact CB-CG2 4.05Å; Q222-K254 WeakPolarHBondContact CG-O 3.45Å
223	F	98.6	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.7	-38.4	173.5	178.7	-100.7	0	0	0	111.9	L6 L183 L209 I212 L213 L216 T219 W220 E221 L226 C227	L6-F223 HydrophobicContact CD1-CE2 4.18Å; L6-F223 HydrophobicContact CD1-CZ 4.21Å; L6-F223 HydrophobicContact CD2-CZ 4.12Å; L183-F223 HydrophobicContact CB-CE1 4.17Å; L183-F223 HydrophobicContact CB-CZ 4.36Å; L209-F223 HydrophobicContact CD1-CD1 4.03Å; L209-F223 HydrophobicContact CD1-CE1 3.86Å; L209-F223 HydrophobicContact CD1-CZ 4.33Å; I212-F223 HydrophobicContact CG2-CD2 4.17Å; I212-F223 HydrophobicContact CG2-CE2 3.66Å; I212-F223 HydrophobicContact CG2-CZ 4.33Å; L213-F223 HydrophobicContact CD2-CB 3.44Å; L213-F223 VanDerWaalsContact CD2-CB 3.44Å; L213-F223 HydrophobicContact CD2-CD1 4.46Å; L213-F223 HydrophobicContact CD2-CD2 4.24Å; L213-F223 HydrophobicContact CD2-CG 3.81Å; L216-F223 HydrophobicContact CD1-CD2 4.39Å; T219-F223 WeakPolarHBondContact O-CB 3.13Å; T219-F223 PolarHBondContact O-N 3.04Å; W220-F223 CarbonylContact O-C 3.59Å; W220-F223 WeakPolarHBondContact O-CA 3.29Å; W220-F223 WeakPolarHBondContact O-CB 3.36Å; W220-F223 PolarHBondContact O-N 3.36Å; W220-F223 VanDerWaalsContact O-N 3.12Å; E221-F223 VanDerWaalsContact C-N 3.29Å; E221-F223 PolarHBondContact O-N 3.19Å; F223-L226 HydrophobicContact CD2-CD2 4.46Å; F223-L226 WeakPolarHBondContact O-CB 2.96Å; F223-L226 PolarHBondContact O-N 3.4Å; F223-C227 PolarHBondContact O-N 3.29Å; F223-C227 PolarHBondContact O-SG 3.47Å; F223-C227 VanDerWaalsContact O-SG 3.33Å
224	V	98.7	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.6	-47.1	171.3	174.1	0	0	0	0	110.8	T184 W220 E221 L226 C227 I228 Q280 F283 L284	T184-V224 HydrophobicContact CG2-CB 4.25Å; T184-V224 HydrophobicContact CG2-CG1 4.17Å; T184-V224 HydrophobicContact CG2-CG2 3.93Å; W220-V224 WeakPolarHBondContact O-CG2 3.32Å; W220-V224 PolarHBondContact O-N 3.29Å; E221-V224 WeakPolarHBondContact O-CB 3.14Å; E221-V224 PolarHBondContact O-N 3.5Å; V224-L226 VanDerWaalsContact C-N 3.32Å; V224-L226 PolarHBondContact O-N 3.36Å; V224-C227 WeakPolarHBondContact O-CB 3.39Å; V224-C227 PolarHBondContact O-N 3.15Å; V224-C227 VanDerWaalsContact O-N 3.12Å; V224-I228 HydrophobicContact CG1-CD1 4.05Å; V224-I228 WeakPolarHBondContact O-CG1 3.47Å; V224-I228 PolarHBondContact O-N 3.44Å; V224-Q280 HydrophobicContact CG1-CB 4.43Å; V224-Q280 HydrophobicContact CG1-CG 3.95Å; V224-F283 HydrophobicContact CG1-CB 3.65Å; V224-F283 HydrophobicContact CG1-CD2 3.89Å; V224-F283 HydrophobicContact CG1-CG 4.1Å; V224-F283 HydrophobicContact CG2-CB 4.21Å; V224-L284 HydrophobicContact CG2-CD2 3.82Å; V224-L284 HydrophobicContact CG2-CG 4.45Å
225	D	98.6	Very high	97.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-40.7	176.2	-85.8	-0.9	0	0	0	112.6	E221 Q222 C227 I228 L229 I250 T255 I256 Q280	E221-D225 PolarHBondContact O-N 3.33Å; Q222-D225 PolarHBondContact O-N 2.9Å; D225-C227 PolarHBondContact O-N 3.29Å; D225-I228 PolarHBondContact O-N 2.94Å; D225-L229 WeakPolarHBondContact O-CG 3.4Å; D225-L229 PolarHBondContact O-N 3.28Å; D225-I250 HydrophobicContact CB-CD1 3.57Å; D225-T255 VanDerWaalsContact OD2-CA 3.26Å; D225-T255 WeakPolarHBondContact OD2-CA 3.45Å; D225-I256 HydrophobicContact CB-CD1 4.02Å; D225-I256 HydrophobicContact CB-CG1 3.84Å; D225-I256 WeakPolarHBondContact OD1-CD1 3.08Å; D225-I256 PolarHBondContact OD2-N 3.34Å; D225-Q280 VanDerWaalsContact CG-NE2 3.35Å; D225-Q280 PolarHBondContact OD1-NE2 2.89Å; D225-Q280 PolarHBondContact OD2-NE2 3.11Å
226	L	98.5	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.5	-47.9	172.5	175.1	62.4	0	0	0	111	L9 L216 L218 Q222 F223 V224 I228 L229 L230 A246 I247 I250	L9-L226 HydrophobicContact CD2-CD2 4.42Å; L216-L226 HydrophobicContact CD1-CD2 4.19Å; L218-L226 HydrophobicContact CD1-CD2 3.88Å; Q222-L226 WeakPolarHBondContact O-CB 3.27Å; Q222-L226 PolarHBondContact O-N 2.59Å; F223-L226 HydrophobicContact CD2-CD2 4.46Å; F223-L226 WeakPolarHBondContact O-CB 2.96Å; F223-L226 PolarHBondContact O-N 3.4Å; V224-L226 VanDerWaalsContact C-N 3.32Å; V224-L226 PolarHBondContact O-N 3.36Å; L226-I228 VanDerWaalsContact C-N 3.33Å; L226-I228 PolarHBondContact O-N 3.22Å; L226-L229 PolarHBondContact O-N 3.29Å; L226-L229 VanDerWaalsContact O-N 3.17Å; L226-L230 HydrophobicContact CD1-CG 4.33Å; L226-L230 HydrophobicContact CG-CD1 4.29Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 2.94Å; L226-L230 PolarHBondContact O-N 3.3Å; L226-A246 HydrophobicContact CD1-CB 3.72Å; L226-I247 HydrophobicContact CD1-CG1 3.91Å; L226-I247 HydrophobicContact CD2-CG1 4.07Å; L226-I250 HydrophobicContact CB-CG1 4.2Å; L226-I250 HydrophobicContact CD1-CG1 4.43Å
227	C	98.4	Very high	97.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-39.9	178.8	-72.7	0	0	0	0	112.7	I3 T184 F223 V224 D225 L230 G231	I3-C227 HydrophobicContact CD1-CB 3.91Å; I3-C227 HydrophobicContact CG1-CB 4.07Å; I3-C227 HydrophobicContact CG2-CB 4.01Å; T184-C227 HydrophobicContact CG2-CB 3.69Å; T184-C227 PolarHBondContact OG1-SG 2.93Å; F223-C227 PolarHBondContact O-N 3.29Å; F223-C227 PolarHBondContact O-SG 3.47Å; F223-C227 VanDerWaalsContact O-SG 3.33Å; V224-C227 WeakPolarHBondContact O-CB 3.39Å; V224-C227 PolarHBondContact O-N 3.15Å; V224-C227 VanDerWaalsContact O-N 3.12Å; D225-C227 PolarHBondContact O-N 3.29Å; C227-L230 PolarHBondContact O-N 3.07Å; C227-G231 PolarHBondContact O-N 3.44Å
228	I	98.4	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-43.5	174.6	-69.8	167.2	0	0	0	110.8	V224 D225 L226 L230 G231 I256 W274 H276 A279 Q280 F283	V224-I228 HydrophobicContact CG1-CD1 4.05Å; V224-I228 WeakPolarHBondContact O-CG1 3.47Å; V224-I228 PolarHBondContact O-N 3.44Å; D225-I228 PolarHBondContact O-N 2.94Å; L226-I228 VanDerWaalsContact C-N 3.33Å; L226-I228 PolarHBondContact O-N 3.22Å; I228-L230 VanDerWaalsContact C-N 3.32Å; I228-L230 PolarHBondContact O-N 3.47Å; I228-G231 PolarHBondContact O-N 2.87Å; I228-G231 VanDerWaalsContact O-N 3.15Å; I228-I256 HydrophobicContact CB-CD1 3.89Å; I228-I256 HydrophobicContact CD1-CD1 4.31Å; I228-I256 HydrophobicContact CG2-CD1 3.63Å; I228-W274 HydrophobicContact CG2-CZ2 4.19Å; I228-H276 HydrophobicContact CG2-CB 4.2Å; I228-A279 HydrophobicContact CD1-CB 4.23Å; I228-Q280 HydrophobicContact CD1-CB 3.82Å; I228-F283 HydrophobicContact CD1-CD2 4.45Å; I228-F283 HydrophobicContact CG1-CD2 4.34Å; I228-F283 HydrophobicContact CG1-CE2 4.19Å
229	L	98	Very high	97.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-66	-32.5	177.3	-70.2	177.5	0	0	0	113.4	D225 L226 G231 I238 A246 I250 I256 I259 W274	D225-L229 WeakPolarHBondContact O-CG 3.4Å; D225-L229 PolarHBondContact O-N 3.28Å; L226-L229 PolarHBondContact O-N 3.29Å; L226-L229 VanDerWaalsContact O-N 3.17Å; L229-G231 VanDerWaalsContact C-N 3.26Å; L229-I238 HydrophobicContact CD2-CD1 3.83Å; L229-I238 HydrophobicContact CD2-CG1 4.27Å; L229-A246 HydrophobicContact CB-CB 4.1Å; L229-A246 HydrophobicContact CD1-CB 4.48Å; L229-I250 HydrophobicContact CD1-CD1 3.67Å; L229-I250 HydrophobicContact CD1-CG1 3.66Å; L229-I256 HydrophobicContact CD2-CG1 4.24Å; L229-I256 HydrophobicContact CG-CD1 4.4Å; L229-I256 HydrophobicContact CG-CG1 4.17Å; L229-I259 HydrophobicContact CD1-CD1 3.65Å; L229-W274 HydrophobicContact CD2-CH2 3.95Å; L229-W274 HydrophobicContact CD2-CZ2 4.47Å
230	L	97.6	Very high	97.1	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.068	17%	0.17	C	C	.	.	H	α-helix	trans	-67.9	-29.7	174	-68	175.6	0	0	0	112.1	I3 L6 L9 L226 C227 I228 P243 A246	I3-L230 HydrophobicContact CG2-CB 3.88Å; I3-L230 HydrophobicContact CG2-CD1 4.02Å; L6-L230 HydrophobicContact CB-CD1 4.41Å; L6-L230 HydrophobicContact CD1-CD1 3.99Å; L9-L230 HydrophobicContact CD2-CD1 3.66Å; L9-L230 HydrophobicContact CD2-CD2 4.15Å; L226-L230 HydrophobicContact CD1-CG 4.33Å; L226-L230 HydrophobicContact CG-CD1 4.29Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 2.94Å; L226-L230 PolarHBondContact O-N 3.3Å; C227-L230 PolarHBondContact O-N 3.07Å; I228-L230 VanDerWaalsContact C-N 3.32Å; I228-L230 PolarHBondContact O-N 3.47Å; L230-P243 HydrophobicContact CD2-CB 3.67Å; L230-P243 HydrophobicContact CD2-CG 3.86Å; L230-A246 HydrophobicContact CD2-CB 4.32Å
231	G	96.8	Very high	96.9	Very high	12 Å²	12	30.5 Å²	30.5	12%	0.124	16%	0.163	C	C	.	.			trans	112.3	119.7	-176.3	0	0	0	0	0	110.9	I3 H4 C227 I228 L229	I3-G231 WeakPolarHBondContact CA-O 3.33Å; H4-G231 PolarHBondContact N-O 3.49Å; C227-G231 PolarHBondContact O-N 3.44Å; I228-G231 PolarHBondContact O-N 2.87Å; I228-G231 VanDerWaalsContact O-N 3.15Å; L229-G231 VanDerWaalsContact C-N 3.26Å
232	C	96.1	Very high	96.7	Very high	14 Å²	14	27.7 Å²	27.7	10%	0.095	16%	0.159	C	C	.	.			trans	-123.3	173.1	177.3	73.6	0	0	0	0	110.9	G2 I3 Y234 F283	G2-C232 WeakPolarHBondContact O-CA 3.44Å; I3-C232 HydrophobicContact CD1-CB 3.49Å; I3-C232 VanDerWaalsContact CD1-CB 3.49Å; C232-Y234 VanDerWaalsContact C-N 3.27Å; C232-Y234 HydrophobicContact CB-CD2 4.45Å; C232-Y234 PolarHBondContact O-N 2.67Å; C232-F283 HydrophobicContact CB-CE2 4.08Å; C232-F283 HydrophobicContact CB-CZ 4.01Å
233	D	95.7	Very high	96.6	Very high	20 Å²	20	28.8 Å²	28.8	11%	0.107	17%	0.169	C	C	.	.	S	Bend	trans	-78.3	-6.3	-178	-77.6	10.3	0	0	0	114	E96 R100	E96-D233 HydrophobicContact CB-CB 4.32Å; E96-D233 WeakPolarHBondContact CB-O 3.45Å; E96-D233 HydrophobicContact CG-CB 4.04Å; R100-D233 IonicContact CZ-OD2 2.99Å; R100-D233 IonicContact NH2-OD2 3.91Å; R100-D233 PolarHBondContact NH2-OD2 2.91Å
234	Y	96.6	Very high	96.3	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.016	20%	0.204	C	C	.	.	S	Bend	trans	-108.2	-15.6	-169.3	-49.3	-71.7	0	0	0	114.8	P90 L92 K93 E160 F185 C232 L282 F283	P90-Y234 HydrophobicContact CG-CD1 4.02Å; P90-Y234 HydrophobicContact CG-CE1 3.75Å; L92-Y234 WeakPolarHBondContact CB-O 3.25Å; K93-Y234 HydrophobicContact CB-CD1 4.05Å; K93-Y234 HydrophobicContact CB-CE1 4.25Å; K93-Y234 HydrophobicContact CD-CD1 4.5Å; K93-Y234 HydrophobicContact CD-CE1 3.94Å; K93-Y234 HydrophobicContact CG-CD1 4.48Å; K93-Y234 HydrophobicContact CG-CE1 4.4Å; E160-Y234 PolarHBondContact OE1-OH 3.25Å; F185-Y234 HydrophobicContact CZ-CE2 4.18Å; F185-Y234 AromaticContact CZ-CZ 3.98Å; F185-Y234 WeakPolarHBondContact CZ-OH 3.39Å; C232-Y234 VanDerWaalsContact C-N 3.27Å; C232-Y234 HydrophobicContact CB-CD2 4.45Å; C232-Y234 PolarHBondContact O-N 2.67Å; Y234-L282 HydrophobicContact CD1-CD2 3.29Å; Y234-L282 HydrophobicContact CD2-CD2 3.97Å; Y234-L282 HydrophobicContact CE1-CD2 3.58Å; Y234-L282 HydrophobicContact CE2-CD2 4.23Å; Y234-L282 HydrophobicContact CG-CD2 3.5Å; Y234-L282 VanDerWaalsContact CG-CD2 3.5Å; Y234-F283 AromaticContact CD2-CE1 3.95Å; Y234-F283 HydrophobicContact CD2-CE1 3.95Å; Y234-F283 AromaticContact CD2-CE2 3.7Å; Y234-F283 HydrophobicContact CD2-CE2 3.7Å; Y234-F283 AromaticContact CD2-CZ 3.33Å; Y234-F283 HydrophobicContact CD2-CZ 3.33Å; Y234-F283 HydrophobicContact CE2-CD1 4.4Å; Y234-F283 AromaticContact CE2-CE1 3.46Å; Y234-F283 HydrophobicContact CE2-CE1 3.46Å; Y234-F283 VanDerWaalsContact CE2-CE1 3.46Å; Y234-F283 HydrophobicContact CE2-CE2 4.1Å; Y234-F283 AromaticContact CE2-CZ 3.29Å; Y234-F283 HydrophobicContact CE2-CZ 3.29Å
235	C	95.9	Very high	96.2	Very high	19 Å²	19	41.1 Å²	41.1	13%	0.128	22%	0.22	C	C	.	.	S	Bend	trans	-158	165.7	173.3	70	0	0	0	0	110.7	A279	C235-A279 HydrophobicContact CB-CB 4.06Å
236	E	95.4	Very high	96.1	Very high	98 Å²	98	41 Å²	41	46%	0.458	22%	0.22	S	C	.	.			trans	-65.4	167.7	173.2	-64.8	-60.5	150.9	0	0	112.2	K99 P271 W274	K99-E236 IonicContact NZ-OE1 2.67Å; K99-E236 PolarHBondContact NZ-OE1 3.05Å; K99-E236 IonicContact NZ-OE2 3.49Å; K99-E236 PolarHBondContact NZ-OE2 3.49Å; E236-P271 HydrophobicContact CB-CB 3.75Å; E236-P271 HydrophobicContact CB-CG 3.69Å; E236-P271 HydrophobicContact CG-CB 4.36Å; E236-W274 PolarHBondContact O-NE1 2.75Å
237	S	95.7	Very high	96	Very high	44 Å²	44	42 Å²	42	31%	0.308	22%	0.224	S	C	.	.			trans	-119.1	165.1	172.6	57.5	0	0	0	0	110.9	R239 P271	S237-R239 PolarHBondContact O-N 3.48Å; S237-P271 WeakPolarHBondContact O-CG 3.32Å
238	I	96.3	Very high	96	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	25%	0.247	C	C	.	.			trans	-76	115.8	179.9	-55.9	175.1	0	0	0	109.7	L229 G240 I241 I263 L270 W274	L229-I238 HydrophobicContact CD2-CD1 3.83Å; L229-I238 HydrophobicContact CD2-CG1 4.27Å; I238-G240 PolarHBondContact O-N 2.98Å; I238-I241 HydrophobicContact CB-CB 4.42Å; I238-I241 HydrophobicContact CB-CD1 3.78Å; I238-I241 HydrophobicContact CB-CG1 4.13Å; I238-I241 HydrophobicContact CD1-CD1 3.9Å; I238-I241 HydrophobicContact CG1-CD1 4.44Å; I238-I241 HydrophobicContact CG2-CD1 3.55Å; I238-I241 HydrophobicContact CG2-CG1 3.84Å; I238-I241 PolarHBondContact O-N 3.15Å; I238-I263 HydrophobicContact CD1-CD1 4.09Å; I238-L270 HydrophobicContact CD1-CD2 4.02Å; I238-L270 HydrophobicContact CG1-CD2 4.27Å; I238-W274 HydrophobicContact CD1-CH2 3.59Å; I238-W274 HydrophobicContact CD1-CZ3 3.76Å; I238-W274 HydrophobicContact CG1-CH2 3.51Å; I238-W274 HydrophobicContact CG1-CZ2 4.06Å; I238-W274 HydrophobicContact CG1-CZ3 3.82Å
239	R	94.7	Very high	95.9	Very high	210 Å²	210	47 Å²	47	79%	0.792	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	131.5	179.3	-172.7	178.9	179.7	-172.9	0.6	111	S237 I241	S237-R239 PolarHBondContact O-N 3.48Å; R239-I241 VanDerWaalsContact C-N 3.34Å
240	G	94.3	Very high	95.9	Very high	62 Å²	62	46.9 Å²	46.9	64%	0.639	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	-2.1	177.6	0	0	0	0	0	114.8	I238	I238-G240 PolarHBondContact O-N 2.98Å
241	I	94.9	Very high	95.9	Very high	16 Å²	16	50.2 Å²	50.2	8%	0.082	26%	0.261	C	S	.	.			trans	-94.7	106.4	170.2	-60.7	-172.3	0	0	0	108.8	I238 R239 R245 A246 L249 Y268	I238-I241 HydrophobicContact CB-CB 4.42Å; I238-I241 HydrophobicContact CB-CD1 3.78Å; I238-I241 HydrophobicContact CB-CG1 4.13Å; I238-I241 HydrophobicContact CD1-CD1 3.9Å; I238-I241 HydrophobicContact CG1-CD1 4.44Å; I238-I241 HydrophobicContact CG2-CD1 3.55Å; I238-I241 HydrophobicContact CG2-CG1 3.84Å; I238-I241 PolarHBondContact O-N 3.15Å; R239-I241 VanDerWaalsContact C-N 3.34Å; I241-R245 HydrophobicContact CG2-CB 4.33Å; I241-R245 HydrophobicContact CG2-CG 4.31Å; I241-A246 HydrophobicContact CG2-CB 4.03Å; I241-L249 HydrophobicContact CD1-CD1 3.74Å; I241-L249 HydrophobicContact CG2-CD1 4.17Å; I241-Y268 HydrophobicContact CD1-CD1 4.47Å; I241-Y268 HydrophobicContact CD1-CG 4.48Å; I241-Y268 HydrophobicContact CG1-CD1 3.78Å; I241-Y268 HydrophobicContact CG1-CE1 4.14Å; I241-Y268 HydrophobicContact CG1-CG 4.26Å
242	G	93.4	Very high	95.9	Very high	34 Å²	34	55.6 Å²	55.6	35%	0.351	28%	0.283	S	S	.	.			trans	-90.9	176.4	174.8	0	0	0	0	0	113.3	K244 R245 A246	G242-K244 PolarHBondContact O-N 3.36Å; G242-R245 PolarHBondContact O-N 3.44Å; G242-R245 VanDerWaalsContact O-N 3.09Å; G242-A246 PolarHBondContact O-N 3.39Å
243	P	95.3	Very high	96	Very high	55 Å²	55	56.1 Å²	56.1	36%	0.357	28%	0.284	S	S	.	.	H	α-helix	trans	-55.9	-44.3	-170.9	-27.3	33.4	0	0	0	115.5	L9 L230 R245 A246 I247	L9-P243 HydrophobicContact CD1-CB 3.69Å; L9-P243 HydrophobicContact CD2-CB 4.36Å; L9-P243 HydrophobicContact CG-CB 4.45Å; L230-P243 HydrophobicContact CD2-CB 3.67Å; L230-P243 HydrophobicContact CD2-CG 3.86Å; P243-R245 PolarHBondContact O-N 2.72Å; P243-A246 PolarHBondContact O-N 3.25Å; P243-I247 PolarHBondContact O-N 3.45Å; P243-I247 VanDerWaalsContact O-N 3.11Å
244	K	94.2	Very high	96	Very high	169 Å²	169	58.9 Å²	58.9	74%	0.735	30%	0.295	S	S	*	.	H	α-helix	trans	-61.1	-46	178.5	-66.3	-172.9	177.8	-175.4	0	111.6	G242 I247 E248	G242-K244 PolarHBondContact O-N 3.36Å; K244-I247 PolarHBondContact O-N 3.12Å; K244-E248 WeakPolarHBondContact O-CG 3.27Å; K244-E248 PolarHBondContact O-N 3.31Å
245	R	95.6	Very high	96	Very high	89 Å²	89	60.8 Å²	60.8	34%	0.336	31%	0.307	S	S	.	.	H	α-helix	trans	-69.8	-36.8	-179.3	-174.7	57.1	-179.1	158	5.7	111.6	I241 G242 P243 E248 L249	I241-R245 HydrophobicContact CG2-CB 4.33Å; I241-R245 HydrophobicContact CG2-CG 4.31Å; G242-R245 PolarHBondContact O-N 3.44Å; G242-R245 VanDerWaalsContact O-N 3.09Å; P243-R245 PolarHBondContact O-N 2.72Å; R245-E248 VanDerWaalsContact CD-OE2 3.31Å; R245-E248 WeakPolarHBondContact CD-OE2 3.27Å; R245-E248 IonicContact CZ-OE2 3.86Å; R245-E248 IonicContact NH1-OE2 3.98Å; R245-E248 PolarHBondContact NH1-OE2 2.98Å; R245-E248 PolarHBondContact O-N 3.44Å; R245-L249 HydrophobicContact CG-CD1 3.96Å; R245-L249 HydrophobicContact CG-CG 4.31Å; R245-L249 WeakPolarHBondContact O-CB 3.48Å; R245-L249 VanDerWaalsContact O-CG 3.28Å; R245-L249 WeakPolarHBondContact O-CG 3.07Å; R245-L249 PolarHBondContact O-N 2.89Å
246	A	97.3	Very high	96.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-45.6	175	0	0	0	0	0	111.5	L226 L229 L230 I241 G242 P243 L249 I250	L226-A246 HydrophobicContact CD1-CB 3.72Å; L229-A246 HydrophobicContact CB-CB 4.1Å; L229-A246 HydrophobicContact CD1-CB 4.48Å; L230-A246 HydrophobicContact CD2-CB 4.32Å; I241-A246 HydrophobicContact CG2-CB 4.03Å; G242-A246 PolarHBondContact O-N 3.39Å; P243-A246 PolarHBondContact O-N 3.25Å; A246-L249 PolarHBondContact O-N 2.82Å; A246-I250 WeakPolarHBondContact O-CB 3.47Å; A246-I250 WeakPolarHBondContact O-CG1 3.45Å; A246-I250 PolarHBondContact O-N 2.95Å
247	I	96.5	Very high	96.2	Very high	20 Å²	20	57.8 Å²	57.8	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-48.8	175	-69	173	0	0	0	111.3	L9 V13 L216 L226 P243 K244 L249 I250 K251	L9-I247 HydrophobicContact CD1-CD1 3.41Å; L9-I247 VanDerWaalsContact CD1-CD1 3.41Å; L9-I247 HydrophobicContact CD1-CG1 4.43Å; L9-I247 HydrophobicContact CD2-CD1 3.98Å; L9-I247 HydrophobicContact CD2-CG1 4.36Å; L9-I247 HydrophobicContact CG-CD1 3.98Å; V13-I247 HydrophobicContact CG1-CD1 4.27Å; V13-I247 HydrophobicContact CG2-CD1 4.26Å; L216-I247 HydrophobicContact CD2-CD1 4.05Å; L226-I247 HydrophobicContact CD1-CG1 3.91Å; L226-I247 HydrophobicContact CD2-CG1 4.07Å; P243-I247 PolarHBondContact O-N 3.45Å; P243-I247 VanDerWaalsContact O-N 3.11Å; K244-I247 PolarHBondContact O-N 3.12Å; I247-L249 VanDerWaalsContact C-N 3.32Å; I247-L249 PolarHBondContact O-N 2.92Å; I247-I250 PolarHBondContact O-N 3.47Å; I247-K251 HydrophobicContact CG2-CD 3.98Å; I247-K251 HydrophobicContact CG2-CG 4.28Å; I247-K251 WeakPolarHBondContact O-CB 3.48Å; I247-K251 WeakPolarHBondContact O-CG 3.22Å; I247-K251 PolarHBondContact O-N 2.87Å
248	E	96.6	Very high	96.3	Very high	101 Å²	101	61 Å²	61	47%	0.472	30%	0.3	S	S	.	.	H	α-helix	trans	-56.7	-47.4	179.1	-71.6	169.5	-169.6	0	0	111.7	K244 R245 K251 Q252	K244-E248 WeakPolarHBondContact O-CG 3.27Å; K244-E248 PolarHBondContact O-N 3.31Å; R245-E248 VanDerWaalsContact CD-OE2 3.31Å; R245-E248 WeakPolarHBondContact CD-OE2 3.27Å; R245-E248 IonicContact CZ-OE2 3.86Å; R245-E248 IonicContact NH1-OE2 3.98Å; R245-E248 PolarHBondContact NH1-OE2 2.98Å; R245-E248 PolarHBondContact O-N 3.44Å; E248-K251 PolarHBondContact O-N 2.89Å; E248-Q252 VanDerWaalsContact O-CB 3.3Å; E248-Q252 WeakPolarHBondContact O-CB 3.03Å; E248-Q252 PolarHBondContact O-N 3.25Å
249	L	97.5	Very high	96.3	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-44.2	-179.3	-73.8	171.7	0	0	0	111.8	I241 R245 A246 I247 Q252 H253 I259 I263	I241-L249 HydrophobicContact CD1-CD1 3.74Å; I241-L249 HydrophobicContact CG2-CD1 4.17Å; R245-L249 HydrophobicContact CG-CD1 3.96Å; R245-L249 HydrophobicContact CG-CG 4.31Å; R245-L249 WeakPolarHBondContact O-CB 3.48Å; R245-L249 VanDerWaalsContact O-CG 3.28Å; R245-L249 WeakPolarHBondContact O-CG 3.07Å; R245-L249 PolarHBondContact O-N 2.89Å; A246-L249 PolarHBondContact O-N 2.82Å; I247-L249 VanDerWaalsContact C-N 3.32Å; I247-L249 PolarHBondContact O-N 2.92Å; L249-Q252 PolarHBondContact O-N 2.95Å; L249-H253 WeakPolarHBondContact O-CB 3.37Å; L249-H253 PolarHBondContact O-CD2 2.87Å; L249-H253 PolarHBondContact O-N 3.36Å; L249-I259 HydrophobicContact CB-CD1 3.78Å; L249-I259 HydrophobicContact CB-CG1 4.04Å; L249-I259 HydrophobicContact CB-CG2 4.33Å; L249-I259 HydrophobicContact CD1-CG2 4.08Å; L249-I259 HydrophobicContact CD2-CG2 4.36Å; L249-I263 HydrophobicContact CD1-CG2 4.37Å; L249-I263 HydrophobicContact CD2-CG2 4.08Å
250	I	97.9	Very high	96.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-41.8	177.1	-69.3	-73	0	0	0	110.7	L218 Q222 D225 L226 L229 A246 I247 Q252 K254 I259	L218-I250 HydrophobicContact CD1-CG2 4.23Å; L218-I250 HydrophobicContact CD2-CG2 3.69Å; Q222-I250 HydrophobicContact CB-CG2 4.05Å; D225-I250 HydrophobicContact CB-CD1 3.57Å; L226-I250 HydrophobicContact CB-CG1 4.2Å; L226-I250 HydrophobicContact CD1-CG1 4.43Å; L229-I250 HydrophobicContact CD1-CD1 3.67Å; L229-I250 HydrophobicContact CD1-CG1 3.66Å; A246-I250 WeakPolarHBondContact O-CB 3.47Å; A246-I250 WeakPolarHBondContact O-CG1 3.45Å; A246-I250 PolarHBondContact O-N 2.95Å; I247-I250 PolarHBondContact O-N 3.47Å; I250-Q252 VanDerWaalsContact C-N 3.29Å; I250-Q252 PolarHBondContact O-N 3.15Å; I250-K254 WeakPolarHBondContact O-CA 3.48Å; I250-K254 PolarHBondContact O-N 3.36Å; I250-I259 HydrophobicContact CD1-CD1 3.58Å; I250-I259 HydrophobicContact CG1-CD1 4Å
251	K	96.6	Very high	96.3	Very high	82 Å²	82	56.6 Å²	56.6	36%	0.357	27%	0.274	S	S	.	.	H	α-helix	trans	-62.5	-38	176.3	-76.3	-171.8	175.3	-155.3	0	112.6	L216 L218 I247 E248 K254	L216-K251 WeakPolarHBondContact O-CE 3.27Å; L216-K251 PolarHBondContact O-NZ 2.81Å; L218-K251 HydrophobicContact CD2-CG 4.17Å; I247-K251 HydrophobicContact CG2-CD 3.98Å; I247-K251 HydrophobicContact CG2-CG 4.28Å; I247-K251 WeakPolarHBondContact O-CB 3.48Å; I247-K251 WeakPolarHBondContact O-CG 3.22Å; I247-K251 PolarHBondContact O-N 2.87Å; E248-K251 PolarHBondContact O-N 2.89Å; K251-K254 WeakPolarHBondContact O-CD 3.34Å; K251-K254 VanDerWaalsContact O-CE 3.23Å; K251-K254 WeakPolarHBondContact O-CE 3.49Å; K251-K254 PolarHBondContact O-NZ 3.41Å
252	Q	97.3	Very high	96.3	Very high	126 Å²	126	61.8 Å²	61.8	59%	0.589	30%	0.298	S	S	*	.	H	α-helix	trans	-77.5	-47.5	-178.1	-175.7	175.2	-1	0	0	112.6	E248 L249 I250	E248-Q252 VanDerWaalsContact O-CB 3.3Å; E248-Q252 WeakPolarHBondContact O-CB 3.03Å; E248-Q252 PolarHBondContact O-N 3.25Å; L249-Q252 PolarHBondContact O-N 2.95Å; I250-Q252 VanDerWaalsContact C-N 3.29Å; I250-Q252 PolarHBondContact O-N 3.15Å
253	H	97.6	Very high	96.3	Very high	24 Å²	24	61 Å²	61	11%	0.111	29%	0.285	C	S	.	.	H	α-helix	trans	-106.5	-12.9	-168.4	-60.9	-70	0	0	0	113.7	L249 T255 K258 I259 H262	L249-H253 WeakPolarHBondContact O-CB 3.37Å; L249-H253 PolarHBondContact O-CD2 2.87Å; L249-H253 PolarHBondContact O-N 3.36Å; H253-T255 PolarHBondContact O-N 2.95Å; H253-K258 HydrophobicContact CB-CB 3.92Å; H253-K258 WeakPolarHBondContact O-CB 3.33Å; H253-K258 WeakPolarHBondContact O-CD 3.23Å; H253-I259 HydrophobicContact CB-CG1 3.6Å; H253-H262 VanDerWaalsContact CE1-CB 3.47Å; H253-H262 WeakPolarHBondContact CE1-CB 3.36Å; H253-H262 AromaticContact CE1-CG 3.65Å; H253-H262 AromaticContact ND1-CG 3.86Å; H253-H262 AromaticContact ND1-ND1 3.9Å
254	K	96.4	Very high	96.3	Very high	79 Å²	79	62.6 Å²	62.6	34%	0.343	29%	0.291	S	S	.	.	S	Bend	trans	68.6	-37.6	177.2	-49.4	-51.7	-168.5	-177.4	0	115.9	Q222 I250 K251	Q222-K254 WeakPolarHBondContact CG-O 3.45Å; I250-K254 WeakPolarHBondContact O-CA 3.48Å; I250-K254 PolarHBondContact O-N 3.36Å; K251-K254 WeakPolarHBondContact O-CD 3.34Å; K251-K254 VanDerWaalsContact O-CE 3.23Å; K251-K254 WeakPolarHBondContact O-CE 3.49Å; K251-K254 PolarHBondContact O-NZ 3.41Å
255	T	97.7	Very high	96.2	Very high	44 Å²	44	58.2 Å²	58.2	27%	0.27	28%	0.278	S	S	.	.	S	Bend	trans	-130.1	156	-179.3	80.5	0	0	0	0	112.5	D225 H253 E257 K258 I259	D225-T255 VanDerWaalsContact OD2-CA 3.26Å; D225-T255 WeakPolarHBondContact OD2-CA 3.45Å; H253-T255 PolarHBondContact O-N 2.95Å; T255-E257 VanDerWaalsContact C-N 3.28Å; T255-E257 VanDerWaalsContact CB-OE2 3.27Å; T255-E257 WeakPolarHBondContact CB-OE2 3.3Å; T255-E257 PolarHBondContact O-N 3.37Å; T255-E257 PolarHBondContact OG1-OE2 3.28Å; T255-K258 PolarHBondContact O-N 3.27Å; T255-K258 PolarHBondContact OG1-N 2.91Å; T255-I259 WeakPolarHBondContact O-CG1 3.46Å; T255-I259 PolarHBondContact O-N 3.41Å
256	I	97.6	Very high	96	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-40.5	176.1	-69.2	171.2	0	0	0	111.5	D225 I228 L229 K258 I259 V260 W274 H276	D225-I256 HydrophobicContact CB-CD1 4.02Å; D225-I256 HydrophobicContact CB-CG1 3.84Å; D225-I256 WeakPolarHBondContact OD1-CD1 3.08Å; D225-I256 PolarHBondContact OD2-N 3.34Å; I228-I256 HydrophobicContact CB-CD1 3.89Å; I228-I256 HydrophobicContact CD1-CD1 4.31Å; I228-I256 HydrophobicContact CG2-CD1 3.63Å; L229-I256 HydrophobicContact CD2-CG1 4.24Å; L229-I256 HydrophobicContact CG-CD1 4.4Å; L229-I256 HydrophobicContact CG-CG1 4.17Å; I256-K258 VanDerWaalsContact C-N 3.31Å; I256-K258 PolarHBondContact O-N 3.12Å; I256-I259 WeakPolarHBondContact O-CB 3.33Å; I256-I259 PolarHBondContact O-N 2.75Å; I256-I259 VanDerWaalsContact O-N 3.13Å; I256-V260 HydrophobicContact CG2-CG2 4.11Å; I256-V260 WeakPolarHBondContact O-CG2 3.46Å; I256-V260 PolarHBondContact O-N 3.17Å; I256-W274 HydrophobicContact CG2-CH2 3.5Å; I256-W274 HydrophobicContact CG2-CZ2 4.45Å; I256-W274 HydrophobicContact CG2-CZ3 3.58Å; I256-H276 HydrophobicContact CD1-CB 4.32Å; I256-H276 HydrophobicContact CG2-CB 4.47Å
257	E	96.7	Very high	95.9	Very high	54 Å²	54	69.7 Å²	69.7	25%	0.252	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-42.9	180	-61.8	77.2	-170.2	0	0	111.7	T255 V260 Q261 H276 K277	T255-E257 VanDerWaalsContact C-N 3.28Å; T255-E257 VanDerWaalsContact CB-OE2 3.27Å; T255-E257 WeakPolarHBondContact CB-OE2 3.3Å; T255-E257 PolarHBondContact O-N 3.37Å; T255-E257 PolarHBondContact OG1-OE2 3.28Å; E257-V260 PolarHBondContact O-N 3.41Å; E257-Q261 WeakPolarHBondContact O-CG 3.09Å; E257-Q261 PolarHBondContact O-N 3.11Å; E257-H276 IonicContact OE1-CE1 3.37Å; E257-H276 PolarHBondContact OE1-CE1 3.33Å; E257-K277 WeakPolarHBondContact OE1-CE 3.49Å
258	K	97.1	Very high	95.8	Very high	110 Å²	110	70.7 Å²	70.7	48%	0.478	33%	0.333	S	S	.	.	H	α-helix	trans	-70.4	-34.6	177.9	-74.3	177.8	174	177.2	0	111.6	H253 T255 I256 Q261 H262	H253-K258 HydrophobicContact CB-CB 3.92Å; H253-K258 WeakPolarHBondContact O-CB 3.33Å; H253-K258 WeakPolarHBondContact O-CD 3.23Å; T255-K258 PolarHBondContact O-N 3.27Å; T255-K258 PolarHBondContact OG1-N 2.91Å; I256-K258 VanDerWaalsContact C-N 3.31Å; I256-K258 PolarHBondContact O-N 3.12Å; K258-Q261 PolarHBondContact O-N 3.5Å; K258-H262 PolarHBondContact O-N 3.46Å; K258-H262 PolarHBondContact O-ND1 2.73Å
259	I	96.8	Very high	95.8	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-52.4	173.2	-68.2	169.3	0	0	0	109.5	L229 L249 I250 H253 T255 I256 Q261 H262 I263	L229-I259 HydrophobicContact CD1-CD1 3.65Å; L249-I259 HydrophobicContact CB-CD1 3.78Å; L249-I259 HydrophobicContact CB-CG1 4.04Å; L249-I259 HydrophobicContact CB-CG2 4.33Å; L249-I259 HydrophobicContact CD1-CG2 4.08Å; L249-I259 HydrophobicContact CD2-CG2 4.36Å; I250-I259 HydrophobicContact CD1-CD1 3.58Å; I250-I259 HydrophobicContact CG1-CD1 4Å; H253-I259 HydrophobicContact CB-CG1 3.6Å; T255-I259 WeakPolarHBondContact O-CG1 3.46Å; T255-I259 PolarHBondContact O-N 3.41Å; I256-I259 WeakPolarHBondContact O-CB 3.33Å; I256-I259 PolarHBondContact O-N 2.75Å; I256-I259 VanDerWaalsContact O-N 3.13Å; I259-Q261 PolarHBondContact O-N 2.79Å; I259-Q261 VanDerWaalsContact O-N 3.15Å; I259-H262 PolarHBondContact O-N 2.82Å; I259-I263 HydrophobicContact CG2-CG2 3.59Å; I259-I263 WeakPolarHBondContact O-CG2 3.3Å; I259-I263 PolarHBondContact O-N 3.33Å
260	V	95.1	Very high	95.7	Very high	36 Å²	36	72.1 Å²	72.1	22%	0.218	35%	0.348	C	S	.	.	H	α-helix	trans	-55.4	-35.9	-178.8	169	0	0	0	0	112.3	I256 E257 H262 L270 W274	I256-V260 HydrophobicContact CG2-CG2 4.11Å; I256-V260 WeakPolarHBondContact O-CG2 3.46Å; I256-V260 PolarHBondContact O-N 3.17Å; E257-V260 PolarHBondContact O-N 3.41Å; V260-H262 VanDerWaalsContact C-N 3.33Å; V260-H262 PolarHBondContact O-N 3.38Å; V260-L270 HydrophobicContact CG1-CD1 3.53Å; V260-L270 HydrophobicContact CG1-CD2 4.39Å; V260-L270 HydrophobicContact CG2-CD1 4.45Å; V260-L270 HydrophobicContact CG2-CD2 3.98Å; V260-W274 HydrophobicContact CG2-CE3 4.46Å; V260-W274 HydrophobicContact CG2-CZ3 3.78Å
261	Q	95	Very high	95.5	Very high	147 Å²	147	73.5 Å²	73.5	69%	0.687	36%	0.356	S	S	*	.	H	α-helix	trans	-70.2	-24.1	177.1	-71.1	170.7	3.8	0	0	114.5	E257 K258 I259	E257-Q261 WeakPolarHBondContact O-CG 3.09Å; E257-Q261 PolarHBondContact O-N 3.11Å; K258-Q261 PolarHBondContact O-N 3.5Å; I259-Q261 PolarHBondContact O-N 2.79Å; I259-Q261 VanDerWaalsContact O-N 3.15Å
262	H	94.3	Very high	95.3	Very high	124 Å²	124	77.9 Å²	77.9	57%	0.574	38%	0.378	S	S	*	.	H	α-helix	trans	-114	-10.5	-171.3	-67.2	82.8	0	0	0	114.2	H253 K258 I259 V260	H253-H262 VanDerWaalsContact CE1-CB 3.47Å; H253-H262 WeakPolarHBondContact CE1-CB 3.36Å; H253-H262 AromaticContact CE1-CG 3.65Å; H253-H262 AromaticContact ND1-CG 3.86Å; H253-H262 AromaticContact ND1-ND1 3.9Å; K258-H262 PolarHBondContact O-N 3.46Å; K258-H262 PolarHBondContact O-ND1 2.73Å; I259-H262 PolarHBondContact O-N 2.82Å; V260-H262 VanDerWaalsContact C-N 3.33Å; V260-H262 PolarHBondContact O-N 3.38Å
263	I	94.3	Very high	95.1	Very high	19 Å²	19	78.3 Å²	78.3	10%	0.097	39%	0.385	C	S	.	.	S	Bend	trans	-79.8	151.8	176.6	64.6	171.7	0	0	0	111.8	I238 L249 I259 T265 L270	I238-I263 HydrophobicContact CD1-CD1 4.09Å; L249-I263 HydrophobicContact CD1-CG2 4.37Å; L249-I263 HydrophobicContact CD2-CG2 4.08Å; I259-I263 HydrophobicContact CG2-CG2 3.59Å; I259-I263 WeakPolarHBondContact O-CG2 3.3Å; I259-I263 PolarHBondContact O-N 3.33Å; I263-T265 HydrophobicContact CG1-CG2 4.44Å; I263-T265 PolarHBondContact O-N 2.91Å; I263-T265 VanDerWaalsContact O-N 3.1Å; I263-L270 HydrophobicContact CD1-CD2 3.89Å
264	D	93.7	Very high	95	Very high	88 Å²	88	78.8 Å²	78.8	47%	0.471	39%	0.385	S	S	.	.			trans	-72.2	100.1	168.2	178.1	1.1	0	0	0	109.8	K266 K267 Y268	D264-K266 PolarHBondContact O-N 3.47Å; D264-K266 WeakPolarHBondContact OD1-CB 3.35Å; D264-K266 PolarHBondContact OD1-N 3.44Å; D264-K267 HydrophobicContact CB-CB 4.13Å; D264-K267 PolarHBondContact O-N 3.33Å; D264-K267 VanDerWaalsContact O-N 3.17Å; D264-K267 PolarHBondContact OD1-N 3.17Å; D264-K267 WeakPolarHBondContact OD2-CB 3.4Å; D264-Y268 PolarHBondContact O-N 2.95Å
265	T	92.1	Very high	95	Very high	76 Å²	76	78.8 Å²	78.8	47%	0.466	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-17.1	-178.9	54.5	0	0	0	0	113.7	I263 Y268 P269	I263-T265 HydrophobicContact CG1-CG2 4.44Å; I263-T265 PolarHBondContact O-N 2.91Å; I263-T265 VanDerWaalsContact O-N 3.1Å; T265-Y268 CarbonylContact O-C 3.53Å; T265-P269 WeakPolarHBondContact O-CA 3.3Å
266	K	92.5	Very high	95	Very high	196 Å²	196	77.6 Å²	77.6	85%	0.852	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-38.5	172.4	-62.2	-177.6	179.9	179.3	0	110.8	D264	D264-K266 PolarHBondContact O-N 3.47Å; D264-K266 WeakPolarHBondContact OD1-CB 3.35Å; D264-K266 PolarHBondContact OD1-N 3.44Å
267	K	94.9	Very high	95	Very high	135 Å²	135	82.9 Å²	82.9	59%	0.587	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-37.8	177.3	-175	177.5	179.2	-170.5	0	112.5	D264 P269	D264-K267 HydrophobicContact CB-CB 4.13Å; D264-K267 PolarHBondContact O-N 3.33Å; D264-K267 VanDerWaalsContact O-N 3.17Å; D264-K267 PolarHBondContact OD1-N 3.17Å; D264-K267 WeakPolarHBondContact OD2-CB 3.4Å; K267-P269 WeakPolarHBondContact O-CD 3.48Å
268	Y	95.3	Very high	95	Very high	41 Å²	41	84.7 Å²	84.7	16%	0.161	41%	0.412	C	S	.	.	S	Bend	trans	-121.4	77.5	-177.9	-56.9	-69	0	0	0	109.3	I241 D264 T265 L270	I241-Y268 HydrophobicContact CD1-CD1 4.47Å; I241-Y268 HydrophobicContact CD1-CG 4.48Å; I241-Y268 HydrophobicContact CG1-CD1 3.78Å; I241-Y268 HydrophobicContact CG1-CE1 4.14Å; I241-Y268 HydrophobicContact CG1-CG 4.26Å; D264-Y268 PolarHBondContact O-N 2.95Å; T265-Y268 CarbonylContact O-C 3.53Å; Y268-L270 PolarHBondContact O-N 2.93Å
269	P	94.8	Very high	95.1	Very high	70 Å²	70	79.4 Å²	79.4	46%	0.455	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-62.8	136.1	179.4	26.8	-34.3	0	0	0	110.2	T265 K267	T265-P269 WeakPolarHBondContact O-CA 3.3Å; K267-P269 WeakPolarHBondContact O-CD 3.48Å
270	L	95.4	Very high	95.1	Very high	64 Å²	64	81.4 Å²	81.4	34%	0.335	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-77.4	147.1	177.2	-56.7	175.2	0	0	0	110	I238 V260 I263 Y268 W274	I238-L270 HydrophobicContact CD1-CD2 4.02Å; I238-L270 HydrophobicContact CG1-CD2 4.27Å; V260-L270 HydrophobicContact CG1-CD1 3.53Å; V260-L270 HydrophobicContact CG1-CD2 4.39Å; V260-L270 HydrophobicContact CG2-CD1 4.45Å; V260-L270 HydrophobicContact CG2-CD2 3.98Å; I263-L270 HydrophobicContact CD1-CD2 3.89Å; Y268-L270 PolarHBondContact O-N 2.93Å; L270-W274 HydrophobicContact CD2-CE3 4.49Å; L270-W274 HydrophobicContact CD2-CZ3 4.34Å
271	P	94.8	Very high	95.3	Very high	28 Å²	28	85.7 Å²	85.7	18%	0.182	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-57.4	143.4	168	-21.5	33	0	0	0	111.3	E236 S237 W274	E236-P271 HydrophobicContact CB-CB 3.75Å; E236-P271 HydrophobicContact CB-CG 3.69Å; E236-P271 HydrophobicContact CG-CB 4.36Å; S237-P271 WeakPolarHBondContact O-CG 3.32Å; P271-W274 HydrophobicContact CB-CB 4.03Å; P271-W274 HydrophobicContact CB-CG 4.02Å; P271-W274 HydrophobicContact CG-CB 4.44Å; P271-W274 HydrophobicContact CG-CD2 4.18Å; P271-W274 HydrophobicContact CG-CG 3.96Å
272	E	91.8	Very high	95.4	Very high	175 Å²	175	80.3 Å²	80.3	82%	0.818	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	137.4	173.7	-168.1	178.3	174.5	0	0	109.9	W274	E272-W274 PolarHBondContact O-N 3.18Å
273	N	92.7	Very high	95.6	Very high	135 Å²	135	74.4 Å²	74.4	72%	0.722	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	44	-177.8	-59.4	-41.6	0	0	0	113.3	L275	N273-L275 WeakPolarHBondContact O-CG 3.43Å; N273-L275 PolarHBondContact O-N 3.09Å
274	W	95.7	Very high	95.8	Very high	33 Å²	33	75.6 Å²	75.6	13%	0.125	37%	0.368	C	S	.	.			trans	-63.8	108.9	-171.8	-169.3	25.6	0	0	0	113.3	I228 L229 E236 I238 I256 V260 L270 P271 E272 H276	I228-W274 HydrophobicContact CG2-CZ2 4.19Å; L229-W274 HydrophobicContact CD2-CH2 3.95Å; L229-W274 HydrophobicContact CD2-CZ2 4.47Å; E236-W274 PolarHBondContact O-NE1 2.75Å; I238-W274 HydrophobicContact CD1-CH2 3.59Å; I238-W274 HydrophobicContact CD1-CZ3 3.76Å; I238-W274 HydrophobicContact CG1-CH2 3.51Å; I238-W274 HydrophobicContact CG1-CZ2 4.06Å; I238-W274 HydrophobicContact CG1-CZ3 3.82Å; I256-W274 HydrophobicContact CG2-CH2 3.5Å; I256-W274 HydrophobicContact CG2-CZ2 4.45Å; I256-W274 HydrophobicContact CG2-CZ3 3.58Å; V260-W274 HydrophobicContact CG2-CE3 4.46Å; V260-W274 HydrophobicContact CG2-CZ3 3.78Å; L270-W274 HydrophobicContact CD2-CE3 4.49Å; L270-W274 HydrophobicContact CD2-CZ3 4.34Å; P271-W274 HydrophobicContact CB-CB 4.03Å; P271-W274 HydrophobicContact CB-CG 4.02Å; P271-W274 HydrophobicContact CG-CB 4.44Å; P271-W274 HydrophobicContact CG-CD2 4.18Å; P271-W274 HydrophobicContact CG-CG 3.96Å; E272-W274 PolarHBondContact O-N 3.18Å; W274-H276 HydrophobicContact CD2-CB 3.87Å; W274-H276 AromaticContact CD2-CD2 3.83Å; W274-H276 HydrophobicContact CE3-CB 4.36Å; W274-H276 AromaticContact CE3-CD2 3.64Å; W274-H276 HydrophobicContact CG-CB 4.26Å; W274-H276 HydrophobicContact CH2-CB 4.34Å; W274-H276 HydrophobicContact CZ2-CB 3.87Å; W274-H276 PolarHBondContact O-N 3.25Å
275	L	96.7	Very high	96	Very high	79 Å²	79	78 Å²	78	41%	0.414	38%	0.377	S	S	.	.			trans	-81.1	38.5	-177.3	-56.7	178.8	0	0	0	114	L92 N273 K277 E278 A279	L92-L275 HydrophobicContact CD2-CB 4.12Å; L92-L275 HydrophobicContact CD2-CD1 3.62Å; N273-L275 WeakPolarHBondContact O-CG 3.43Å; N273-L275 PolarHBondContact O-N 3.09Å; L275-K277 VanDerWaalsContact C-N 3.28Å; L275-K277 PolarHBondContact O-N 2.99Å; L275-E278 WeakPolarHBondContact CA-OE2 3.43Å; L275-E278 HydrophobicContact CB-CB 4.38Å; L275-E278 PolarHBondContact O-N 2.96Å; L275-A279 WeakPolarHBondContact O-CB 3.34Å; L275-A279 PolarHBondContact O-N 3.35Å
276	H	97.3	Very high	96.2	Very high	19 Å²	19	75.4 Å²	75.4	9%	0.088	36%	0.361	C	S	.	.	H	α-helix	trans	-66.6	-29.9	-174.8	74.6	83	0	0	0	112.8	I228 I256 E257 W274 Q280	I228-H276 HydrophobicContact CG2-CB 4.2Å; I256-H276 HydrophobicContact CD1-CB 4.32Å; I256-H276 HydrophobicContact CG2-CB 4.47Å; E257-H276 IonicContact OE1-CE1 3.37Å; E257-H276 PolarHBondContact OE1-CE1 3.33Å; W274-H276 HydrophobicContact CD2-CB 3.87Å; W274-H276 AromaticContact CD2-CD2 3.83Å; W274-H276 HydrophobicContact CE3-CB 4.36Å; W274-H276 AromaticContact CE3-CD2 3.64Å; W274-H276 HydrophobicContact CG-CB 4.26Å; W274-H276 HydrophobicContact CH2-CB 4.34Å; W274-H276 HydrophobicContact CZ2-CB 3.87Å; W274-H276 PolarHBondContact O-N 3.25Å; H276-Q280 WeakPolarHBondContact O-CB 3.48Å; H276-Q280 PolarHBondContact O-N 3.22Å
277	K	97.8	Very high	96.4	Very high	111 Å²	111	71.2 Å²	71.2	48%	0.483	35%	0.348	S	S	.	.	H	α-helix	trans	-72.9	-41.1	179.8	-64.6	-175.9	178.2	175.9	0	111.2	E257 L275 Q280 K281	E257-K277 WeakPolarHBondContact OE1-CE 3.49Å; L275-K277 VanDerWaalsContact C-N 3.28Å; L275-K277 PolarHBondContact O-N 2.99Å; K277-Q280 PolarHBondContact O-N 3.44Å; K277-K281 WeakPolarHBondContact O-CB 3.28Å; K277-K281 PolarHBondContact O-N 3.36Å
278	E	98	Very high	96.5	Very high	92 Å²	92	66.7 Å²	66.7	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-66.2	-41	176.1	-63	77.5	-177.1	0	0	110.3	L92 L275 K281 L282	L92-E278 HydrophobicContact CD1-CB 3.89Å; L92-E278 HydrophobicContact CD2-CB 4.06Å; L275-E278 WeakPolarHBondContact CA-OE2 3.43Å; L275-E278 HydrophobicContact CB-CB 4.38Å; L275-E278 PolarHBondContact O-N 2.96Å; E278-K281 PolarHBondContact O-N 2.94Å; E278-L282 WeakPolarHBondContact O-CB 3.42Å; E278-L282 PolarHBondContact O-N 3.02Å
279	A	97.8	Very high	96.5	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-43.2	172.9	0	0	0	0	0	112.1	I228 C235 L275 K281 L282 F283	I228-A279 HydrophobicContact CD1-CB 4.23Å; C235-A279 HydrophobicContact CB-CB 4.06Å; L275-A279 WeakPolarHBondContact O-CB 3.34Å; L275-A279 PolarHBondContact O-N 3.35Å; A279-K281 VanDerWaalsContact C-N 3.34Å; A279-K281 PolarHBondContact O-N 3.13Å; A279-L282 WeakPolarHBondContact O-CB 3.35Å; A279-L282 PolarHBondContact O-N 3.12Å; A279-F283 VanDerWaalsContact O-CD2 3.23Å; A279-F283 WeakPolarHBondContact O-CD2 3.31Å; A279-F283 PolarHBondContact O-N 3.32Å; A279-F283 VanDerWaalsContact O-N 3.07Å
280	Q	98.3	Very high	96.6	Very high	41 Å²	41	66.9 Å²	66.9	19%	0.192	33%	0.332	C	S	.	.	H	α-helix	trans	-59.2	-47	174.7	-173.4	-163.8	69.7	0	0	110.7	V224 D225 I228 H276 K277 L282 F283 L284	V224-Q280 HydrophobicContact CG1-CB 4.43Å; V224-Q280 HydrophobicContact CG1-CG 3.95Å; D225-Q280 VanDerWaalsContact CG-NE2 3.35Å; D225-Q280 PolarHBondContact OD1-NE2 2.89Å; D225-Q280 PolarHBondContact OD2-NE2 3.11Å; I228-Q280 HydrophobicContact CD1-CB 3.82Å; H276-Q280 WeakPolarHBondContact O-CB 3.48Å; H276-Q280 PolarHBondContact O-N 3.22Å; K277-Q280 PolarHBondContact O-N 3.44Å; Q280-L282 VanDerWaalsContact C-N 3.34Å; Q280-L282 PolarHBondContact O-N 3.16Å; Q280-F283 PolarHBondContact O-N 2.91Å; Q280-L284 HydrophobicContact CG-CD1 3.92Å; Q280-L284 HydrophobicContact CG-CG 4.49Å; Q280-L284 WeakPolarHBondContact O-CG 3.3Å; Q280-L284 PolarHBondContact O-N 3.4Å
281	K	98.2	Very high	96.6	Very high	127 Å²	127	65 Å²	65	55%	0.552	32%	0.324	S	S	*	.	H	α-helix	trans	-59.5	-43.8	176.2	-173.1	178.7	-179.2	-178.7	0	111.8	K277 E278 A279 F283 L284 E285	K277-K281 WeakPolarHBondContact O-CB 3.28Å; K277-K281 PolarHBondContact O-N 3.36Å; E278-K281 PolarHBondContact O-N 2.94Å; A279-K281 VanDerWaalsContact C-N 3.34Å; A279-K281 PolarHBondContact O-N 3.13Å; K281-F283 VanDerWaalsContact C-N 3.29Å; K281-F283 PolarHBondContact O-N 3.28Å; K281-L284 PolarHBondContact O-N 2.96Å; K281-E285 WeakPolarHBondContact CE-OE2 3.45Å; K281-E285 WeakPolarHBondContact O-CA 3.38Å; K281-E285 PolarHBondContact O-N 3.38Å
282	L	97.8	Very high	96.6	Very high	34 Å²	34	69.6 Å²	69.6	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-57.5	-41.5	176.8	-179.6	75.2	0	0	0	112	P90 L92 Y234 E278 A279 Q280 P286	P90-L282 HydrophobicContact CB-CD1 3.91Å; P90-L282 HydrophobicContact CB-CD2 4.21Å; P90-L282 HydrophobicContact CG-CD1 4.3Å; P90-L282 HydrophobicContact CG-CD2 3.97Å; L92-L282 HydrophobicContact CD1-CB 4.21Å; L92-L282 HydrophobicContact CD1-CD2 4.21Å; Y234-L282 HydrophobicContact CD1-CD2 3.29Å; Y234-L282 HydrophobicContact CD2-CD2 3.97Å; Y234-L282 HydrophobicContact CE1-CD2 3.58Å; Y234-L282 HydrophobicContact CE2-CD2 4.23Å; Y234-L282 HydrophobicContact CG-CD2 3.5Å; Y234-L282 VanDerWaalsContact CG-CD2 3.5Å; E278-L282 WeakPolarHBondContact O-CB 3.42Å; E278-L282 PolarHBondContact O-N 3.02Å; A279-L282 WeakPolarHBondContact O-CB 3.35Å; A279-L282 PolarHBondContact O-N 3.12Å; Q280-L282 VanDerWaalsContact C-N 3.34Å; Q280-L282 PolarHBondContact O-N 3.16Å; L282-P286 VanDerWaalsContact O-CA 3.25Å; L282-P286 WeakPolarHBondContact O-CA 3.27Å; L282-P286 WeakPolarHBondContact O-CB 3.45Å
283	F	98.4	Very high	96.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-71.1	-37	178.8	-80.2	-59.2	0	0	0	113.7	I3 D181 T184 F185 V224 I228 C232 Y234 A279 Q280 K281	I3-F283 HydrophobicContact CD1-CZ 4.07Å; D181-F283 HydrophobicContact CB-CE1 4.08Å; T184-F283 HydrophobicContact CG2-CB 4.14Å; T184-F283 HydrophobicContact CG2-CD1 3.47Å; T184-F283 VanDerWaalsContact CG2-CD1 3.47Å; T184-F283 HydrophobicContact CG2-CD2 3.82Å; T184-F283 HydrophobicContact CG2-CE1 3.66Å; T184-F283 HydrophobicContact CG2-CE2 3.98Å; T184-F283 HydrophobicContact CG2-CG 3.55Å; T184-F283 HydrophobicContact CG2-CZ 3.89Å; F185-F283 AromaticContact CD1-CD1 3.78Å; F185-F283 HydrophobicContact CD1-CD1 3.78Å; F185-F283 HydrophobicContact CD2-CD1 4.33Å; F185-F283 HydrophobicContact CD2-CE1 4.39Å; F185-F283 AromaticContact CE1-CD1 3.58Å; F185-F283 HydrophobicContact CE1-CD1 3.58Å; F185-F283 HydrophobicContact CE1-CE1 4.15Å; F185-F283 HydrophobicContact CE1-CG 4.45Å; F185-F283 HydrophobicContact CE2-CD1 4.16Å; F185-F283 AromaticContact CE2-CE1 3.99Å; F185-F283 HydrophobicContact CE2-CE1 3.99Å; F185-F283 HydrophobicContact CG-CD1 4.14Å; F185-F283 AromaticContact CZ-CD1 3.79Å; F185-F283 HydrophobicContact CZ-CD1 3.79Å; F185-F283 AromaticContact CZ-CE1 3.86Å; F185-F283 HydrophobicContact CZ-CE1 3.86Å; V224-F283 HydrophobicContact CG1-CB 3.65Å; V224-F283 HydrophobicContact CG1-CD2 3.89Å; V224-F283 HydrophobicContact CG1-CG 4.1Å; V224-F283 HydrophobicContact CG2-CB 4.21Å; I228-F283 HydrophobicContact CD1-CD2 4.45Å; I228-F283 HydrophobicContact CG1-CD2 4.34Å; I228-F283 HydrophobicContact CG1-CE2 4.19Å; C232-F283 HydrophobicContact CB-CE2 4.08Å; C232-F283 HydrophobicContact CB-CZ 4.01Å; Y234-F283 AromaticContact CD2-CE1 3.95Å; Y234-F283 HydrophobicContact CD2-CE1 3.95Å; Y234-F283 AromaticContact CD2-CE2 3.7Å; Y234-F283 HydrophobicContact CD2-CE2 3.7Å; Y234-F283 AromaticContact CD2-CZ 3.33Å; Y234-F283 HydrophobicContact CD2-CZ 3.33Å; Y234-F283 HydrophobicContact CE2-CD1 4.4Å; Y234-F283 AromaticContact CE2-CE1 3.46Å; Y234-F283 HydrophobicContact CE2-CE1 3.46Å; Y234-F283 VanDerWaalsContact CE2-CE1 3.46Å; Y234-F283 HydrophobicContact CE2-CE2 4.1Å; Y234-F283 AromaticContact CE2-CZ 3.29Å; Y234-F283 HydrophobicContact CE2-CZ 3.29Å; A279-F283 VanDerWaalsContact O-CD2 3.23Å; A279-F283 WeakPolarHBondContact O-CD2 3.31Å; A279-F283 PolarHBondContact O-N 3.32Å; A279-F283 VanDerWaalsContact O-N 3.07Å; Q280-F283 PolarHBondContact O-N 2.91Å; K281-F283 VanDerWaalsContact C-N 3.29Å; K281-F283 PolarHBondContact O-N 3.28Å
284	L	98.1	Very high	96.8	Very high	43 Å²	43	59.6 Å²	59.6	23%	0.225	31%	0.311	C	S	.	.	H	α-helix	trans	-80.3	-37	-178.1	-65.9	176	0	0	0	112.4	W220 E221 V224 Q280 K281 P286	W220-L284 HydrophobicContact CD2-CD2 4Å; W220-L284 HydrophobicContact CE3-CD2 3.83Å; W220-L284 HydrophobicContact CH2-CB 4.42Å; W220-L284 HydrophobicContact CH2-CD2 3.67Å; W220-L284 HydrophobicContact CZ2-CD2 3.83Å; W220-L284 HydrophobicContact CZ3-CD2 3.67Å; E221-L284 HydrophobicContact CG-CD1 4.36Å; E221-L284 HydrophobicContact CG-CD2 4.3Å; V224-L284 HydrophobicContact CG2-CD2 3.82Å; V224-L284 HydrophobicContact CG2-CG 4.45Å; Q280-L284 HydrophobicContact CG-CD1 3.92Å; Q280-L284 HydrophobicContact CG-CG 4.49Å; Q280-L284 WeakPolarHBondContact O-CG 3.3Å; Q280-L284 PolarHBondContact O-N 3.4Å; K281-L284 PolarHBondContact O-N 2.96Å; L284-P286 VanDerWaalsContact C-CD 3.41Å
285	E	97.3	Very high	96.7	Very high	138 Å²	138	64.8 Å²	64.8	65%	0.645	34%	0.336	S	S	*	.	S	Bend	trans	-128.2	60.9	-176.1	-60.8	174.7	-176.4	0	0	110.7	K281	K281-E285 WeakPolarHBondContact CE-OE2 3.45Å; K281-E285 WeakPolarHBondContact O-CA 3.38Å; K281-E285 PolarHBondContact O-N 3.38Å
286	P	96.8	Very high	96.7	Very high	23 Å²	23	62.4 Å²	62.4	15%	0.149	32%	0.324	C	S	.	.			trans	-69.8	152.6	179.8	29.7	-35.6	0	0	0	111.7	A161 F185 L282 L284 V288	A161-P286 HydrophobicContact CB-CB 3.92Å; A161-P286 HydrophobicContact CB-CG 4.21Å; F185-P286 HydrophobicContact CD1-CB 3.92Å; F185-P286 HydrophobicContact CD1-CG 3.92Å; F185-P286 HydrophobicContact CE1-CB 3.84Å; F185-P286 HydrophobicContact CE1-CG 4.36Å; L282-P286 VanDerWaalsContact O-CA 3.25Å; L282-P286 WeakPolarHBondContact O-CA 3.27Å; L282-P286 WeakPolarHBondContact O-CB 3.45Å; L284-P286 VanDerWaalsContact C-CD 3.41Å; P286-V288 HydrophobicContact CB-CG1 3.8Å; P286-V288 HydrophobicContact CG-CG1 3.63Å; P286-V288 PolarHBondContact O-N 2.8Å
287	D	96.4	Very high	96.6	Very high	108 Å²	108	67.9 Å²	67.9	58%	0.578	35%	0.348	S	S	*	.			trans	-72.8	109.7	166.6	-169.7	10.6	0	0	0	108.9	P156	P156-D287 HydrophobicContact CG-CB 4.47Å; P156-D287 WeakPolarHBondContact CG-OD1 3.05Å
288	V	97.4	Very high	96.5	Very high	39 Å²	39	65 Å²	65	24%	0.236	33%	0.333	C	S	.	.			trans	-138.4	161.3	-170.4	-66.9	0	0	0	0	111.4	A161 T165 P286	A161-V288 HydrophobicContact CB-CG1 3.79Å; T165-V288 HydrophobicContact CG2-CG2 4.06Å; P286-V288 HydrophobicContact CB-CG1 3.8Å; P286-V288 HydrophobicContact CG-CG1 3.63Å; P286-V288 PolarHBondContact O-N 2.8Å
289	V	96.2	Very high	96.3	Very high	18 Å²	18	64.4 Å²	64.4	11%	0.109	34%	0.336	C	S	.	.			trans	-60.9	145.4	172.5	-59.7	0	0	0	0	111.7	V153 E154 S162 L166 P291 V294	V153-V289 HydrophobicContact CG1-CB 4.4Å; V153-V289 HydrophobicContact CG1-CG1 3.67Å; V153-V289 HydrophobicContact CG1-CG2 4.35Å; E154-V289 WeakPolarHBondContact O-CG1 3.36Å; S162-V289 PolarHBondContact OG-N 2.84Å; L166-V289 HydrophobicContact CD2-CG2 4.39Å; L166-V289 HydrophobicContact CG-CG2 4.47Å; V289-P291 VanDerWaalsContact O-CD 3.28Å; V289-P291 WeakPolarHBondContact O-CD 3.37Å; V289-V294 HydrophobicContact CB-CG2 4.26Å; V289-V294 HydrophobicContact CG2-CG2 4.12Å
290	D	96.9	Very high	96.2	Very high	97 Å²	97	69.8 Å²	69.8	52%	0.519	36%	0.361	S	S	.	.			trans	-70.9	112.4	166.6	178	-0.3	0	0	0	109.1	D292 A293 V294	D290-D292 PolarHBondContact O-N 2.81Å; D290-D292 PolarHBondContact OD1-N 2.9Å; D290-A293 HydrophobicContact CB-CB 4.09Å; D290-A293 PolarHBondContact O-N 3.37Å; D290-V294 WeakPolarHBondContact O-CG2 3.44Å; D290-V294 PolarHBondContact O-N 3.03Å
291	P	94.3	Very high	96.1	Very high	26 Å²	26	68.6 Å²	68.6	17%	0.169	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.5	-177.3	28.3	-35.8	0	0	0	113.4	T165 L166 A169 K171 V289	T165-P291 HydrophobicContact CG2-CB 4.46Å; T165-P291 HydrophobicContact CG2-CG 4.15Å; L166-P291 HydrophobicContact CD2-CB 4.26Å; A169-P291 HydrophobicContact CB-CB 3.45Å; A169-P291 VanDerWaalsContact CB-CB 3.45Å; A169-P291 HydrophobicContact CB-CG 3.75Å; K171-P291 WeakPolarHBondContact CE-O 3.35Å; K171-P291 HydrophobicContact CG-CB 4.24Å; K171-P291 PolarHBondContact NZ-O 3.27Å; V289-P291 VanDerWaalsContact O-CD 3.28Å; V289-P291 WeakPolarHBondContact O-CD 3.37Å
292	D	94.1	Very high	96.1	Very high	124 Å²	124	65.5 Å²	65.5	66%	0.663	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-26	178.2	-71.9	-31.7	0	0	0	113.2	K171 D290 V294	K171-D292 IonicContact NZ-OD1 2.87Å; K171-D292 PolarHBondContact NZ-OD1 3.37Å; D290-D292 PolarHBondContact O-N 2.81Å; D290-D292 PolarHBondContact OD1-N 2.9Å; D292-V294 VanDerWaalsContact C-N 3.29Å
293	A	94.6	Very high	96	Very high	76 Å²	76	67.8 Å²	67.8	63%	0.628	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.9	170.5	0	0	0	0	0	113.3	D290 E295	D290-A293 HydrophobicContact CB-CB 4.09Å; D290-A293 PolarHBondContact O-N 3.37Å; A293-E295 PolarHBondContact O-N 3.46Å
294	V	94.8	Very high	95.9	Very high	23 Å²	23	73.7 Å²	73.7	14%	0.139	39%	0.388	C	S	.	.			trans	-85.3	104.8	-176.5	176.5	0	0	0	0	111.4	V153 L166 V289 D290 D292 L296	V153-V294 HydrophobicContact CG1-CG2 4.45Å; V153-V294 HydrophobicContact CG2-CG1 3.86Å; L166-V294 HydrophobicContact CD2-CB 4.21Å; L166-V294 HydrophobicContact CD2-CG1 4.1Å; L166-V294 HydrophobicContact CD2-CG2 4.31Å; V289-V294 HydrophobicContact CB-CG2 4.26Å; V289-V294 HydrophobicContact CG2-CG2 4.12Å; D290-V294 WeakPolarHBondContact O-CG2 3.44Å; D290-V294 PolarHBondContact O-N 3.03Å; D292-V294 VanDerWaalsContact C-N 3.29Å; V294-L296 HydrophobicContact CG1-CD2 3.46Å; V294-L296 VanDerWaalsContact CG1-CD2 3.46Å; V294-L296 HydrophobicContact CG1-CG 3.95Å
295	E	94	Very high	95.9	Very high	142 Å²	142	76.7 Å²	76.7	66%	0.664	40%	0.401	S	S	*	.			trans	-95.1	112.5	169.1	-71.2	-166	-179.5	0	0	111.9	A293 K297	A293-E295 PolarHBondContact O-N 3.46Å; E295-K297 VanDerWaalsContact OE2-CE 3.22Å; E295-K297 WeakPolarHBondContact OE2-CE 3.49Å; E295-K297 IonicContact OE2-NZ 2.67Å; E295-K297 PolarHBondContact OE2-NZ 2.68Å
296	L	95.6	Very high	96	Very high	30 Å²	30	70.1 Å²	70.1	16%	0.157	37%	0.37	C	S	.	.			trans	-93.1	109.4	179.6	-56.1	-178.6	0	0	0	111.3	V82 P151 V153 V172 V294 W298	V82-L296 HydrophobicContact CB-CD1 4.35Å; V82-L296 HydrophobicContact CB-CD2 4.11Å; V82-L296 HydrophobicContact CG1-CD1 3.96Å; V82-L296 HydrophobicContact CG1-CD2 4.4Å; V82-L296 HydrophobicContact CG2-CD2 3.6Å; P151-L296 HydrophobicContact CB-CD2 4.49Å; V153-L296 HydrophobicContact CG2-CD2 4.25Å; V172-L296 HydrophobicContact CG1-CD1 3.81Å; V294-L296 HydrophobicContact CG1-CD2 3.46Å; V294-L296 VanDerWaalsContact CG1-CD2 3.46Å; V294-L296 HydrophobicContact CG1-CG 3.95Å; L296-W298 HydrophobicContact CB-CE3 4.37Å; L296-W298 HydrophobicContact CB-CH2 3.6Å; L296-W298 HydrophobicContact CB-CZ3 3.44Å; L296-W298 VanDerWaalsContact CB-CZ3 3.44Å; L296-W298 HydrophobicContact CD1-CH2 3.93Å; L296-W298 HydrophobicContact CG-CH2 4.36Å
297	K	95.6	Very high	96	Very high	134 Å²	134	69.4 Å²	69.4	58%	0.583	37%	0.366	S	S	*	.			trans	-121.7	129.8	176.9	-67	177.2	-171.9	157.7	0	110.6	P151 E295	P151-K297 WeakPolarHBondContact CD-O 3.26Å; E295-K297 VanDerWaalsContact OE2-CE 3.22Å; E295-K297 WeakPolarHBondContact OE2-CE 3.49Å; E295-K297 IonicContact OE2-NZ 2.67Å; E295-K297 PolarHBondContact OE2-NZ 2.68Å
298	W	95.6	Very high	96.1	Very high	49 Å²	49	69.1 Å²	69.1	19%	0.186	36%	0.361	C	S	.	.			trans	-105.2	110	176.9	-80.4	-89.8	0	0	0	107.5	K30 K80 P81 V82 G149 P151 L296 R332	K30-W298 HydrophobicContact CB-CH2 4.49Å; K30-W298 HydrophobicContact CD-CH2 4.16Å; K30-W298 HydrophobicContact CD-CZ3 4.33Å; K30-W298 HydrophobicContact CG-CH2 4.03Å; K30-W298 HydrophobicContact CG-CZ3 4.47Å; K80-W298 HydrophobicContact CB-CD2 4.24Å; K80-W298 HydrophobicContact CB-CH2 4.18Å; K80-W298 HydrophobicContact CB-CZ2 3.73Å; K80-W298 VanDerWaalsContact O-CZ2 3.31Å; K80-W298 WeakPolarHBondContact O-CZ2 3.09Å; P81-W298 VanDerWaalsContact O-CE2 3.31Å; P81-W298 WeakPolarHBondContact O-CZ2 3.33Å; P81-W298 PolarHBondContact O-NE1 3.03Å; V82-W298 HydrophobicContact CB-CZ2 4.26Å; G149-W298 CarbonylContact O-C 3.51Å; G149-W298 WeakPolarHBondContact O-CA 3.09Å; P151-W298 VanDerWaalsContact CD-CD1 3.4Å; P151-W298 VanDerWaalsContact CD-NE1 3.29Å; P151-W298 HydrophobicContact CG-CD2 3.85Å; P151-W298 HydrophobicContact CG-CE3 4.35Å; P151-W298 HydrophobicContact CG-CG 4.28Å; P151-W298 HydrophobicContact CG-CH2 4.26Å; P151-W298 HydrophobicContact CG-CZ2 3.73Å; L296-W298 HydrophobicContact CB-CE3 4.37Å; L296-W298 HydrophobicContact CB-CH2 3.6Å; L296-W298 HydrophobicContact CB-CZ3 3.44Å; L296-W298 VanDerWaalsContact CB-CZ3 3.44Å; L296-W298 HydrophobicContact CD1-CH2 3.93Å; L296-W298 HydrophobicContact CG-CH2 4.36Å; W298-R332 PolarHBondContact O-NH1 2.79Å
299	T	95.3	Very high	96.1	Very high	80 Å²	80	67.4 Å²	67.4	49%	0.491	35%	0.35	S	S	.	.			trans	-104.5	166.1	-176.7	58.9	0	0	0	0	112.7	G149 R332	G149-T299 WeakPolarHBondContact CA-O 3.49Å; G149-T299 VanDerWaalsContact CA-OG1 3.22Å; G149-T299 WeakPolarHBondContact CA-OG1 3.35Å; G149-T299 PolarHBondContact O-N 3.27Å; T299-R332 VanDerWaalsContact C-NH1 3.25Å; T299-R332 PolarHBondContact O-NH1 3.45Å; T299-R332 PolarHBondContact O-NH2 3.01Å
300	E	94.9	Very high	96.2	Very high	113 Å²	113	66.6 Å²	66.6	53%	0.528	35%	0.345	S	S	.	.			trans	-62.3	144.7	174.2	-68.5	-56.5	126.9	0	0	111.3
301	P	96.6	Very high	96.2	Very high	17 Å²	17	62.6 Å²	62.6	11%	0.11	33%	0.325	C	S	.	.			trans	-70	143.3	177.1	29.4	-34	0	0	0	111.3	L147 E303 L306 I325 L328 S329	L147-P301 CarbonylContact O-C 3.59Å; L147-P301 VanDerWaalsContact O-CA 3.28Å; L147-P301 WeakPolarHBondContact O-CA 3.23Å; P301-E303 PolarHBondContact O-N 3.04Å; P301-L306 HydrophobicContact CB-CD1 3.94Å; P301-I325 HydrophobicContact CG-CG2 4.35Å; P301-L328 HydrophobicContact CB-CD2 3.94Å; P301-L328 HydrophobicContact CG-CD2 4.14Å; P301-L328 HydrophobicContact CG-CG 4.44Å; P301-S329 VanDerWaalsContact CG-OG 3.3Å; P301-S329 WeakPolarHBondContact CG-OG 3.5Å
302	N	97.1	Very high	96.2	Very high	62 Å²	62	67.1 Å²	67.1	33%	0.332	34%	0.342	S	S	.	.			trans	-85.5	95	172.6	-170.6	-18.8	0	0	0	109.4	L147 D304 E305 L306	L147-N302 PolarHBondContact O-N 3.36Å; N302-D304 PolarHBondContact O-N 3.21Å; N302-E305 HydrophobicContact CB-CB 4.3Å; N302-E305 WeakPolarHBondContact ND2-CG 3.44Å; N302-E305 PolarHBondContact ND2-OE1 3.44Å; N302-E305 PolarHBondContact ND2-OE2 3.25Å; N302-E305 PolarHBondContact OD1-N 2.9Å; N302-L306 WeakPolarHBondContact O-CB 3.47Å; N302-L306 VanDerWaalsContact O-CG 3.26Å; N302-L306 WeakPolarHBondContact O-CG 3.12Å; N302-L306 PolarHBondContact O-N 3.07Å
303	E	96.4	Very high	96.2	Very high	82 Å²	82	65.2 Å²	65.2	38%	0.383	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-45.6	-173.7	-179.4	170.2	170.3	0	0	112.9	P301 L306 V307 R322 I325	P301-E303 PolarHBondContact O-N 3.04Å; E303-L306 PolarHBondContact O-N 3.36Å; E303-V307 WeakPolarHBondContact O-CG2 3.25Å; E303-V307 PolarHBondContact O-N 3.47Å; E303-R322 IonicContact OE1-NH1 2.8Å; E303-R322 PolarHBondContact OE1-NH1 2.96Å; E303-I325 HydrophobicContact CB-CG2 4.11Å; E303-I325 HydrophobicContact CG-CD1 4.07Å; E303-I325 HydrophobicContact CG-CG2 4.07Å
304	D	96.8	Very high	96.3	Very high	123 Å²	123	62.3 Å²	62.3	66%	0.658	30%	0.302	S	S	*	.	H	α-helix	trans	-66.4	-45.2	-175.2	-68.4	-28.6	0	0	0	111.4	N302 V307 Q308	N302-D304 PolarHBondContact O-N 3.21Å; D304-V307 PolarHBondContact O-N 3.4Å; D304-Q308 WeakPolarHBondContact O-CB 3.45Å; D304-Q308 PolarHBondContact O-N 3.34Å
305	E	98.1	Very high	96.3	Very high	106 Å²	106	65.1 Å²	65.1	50%	0.495	31%	0.314	S	S	.	.	H	α-helix	trans	-69.4	-33.8	177	-72.1	-178.9	-169.9	0	0	112.4	L147 N302 Q308 F309	L147-E305 HydrophobicContact CD1-CB 4.33Å; L147-E305 HydrophobicContact CD2-CB 3.6Å; L147-E305 HydrophobicContact CD2-CG 4.45Å; L147-E305 WeakPolarHBondContact CD2-OE2 3.34Å; N302-E305 HydrophobicContact CB-CB 4.3Å; N302-E305 WeakPolarHBondContact ND2-CG 3.44Å; N302-E305 PolarHBondContact ND2-OE1 3.44Å; N302-E305 PolarHBondContact ND2-OE2 3.25Å; N302-E305 PolarHBondContact OD1-N 2.9Å; E305-Q308 PolarHBondContact O-N 2.96Å; E305-F309 VanDerWaalsContact O-CB 3.3Å; E305-F309 WeakPolarHBondContact O-CB 3.39Å; E305-F309 PolarHBondContact O-N 3.01Å
306	L	97.8	Very high	96.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-44.1	172.9	-81.4	172.6	0	0	0	111.7	L144 L147 M148 P301 N302 E303 M310 I325	L144-L306 HydrophobicContact CD1-CD2 3.75Å; L147-L306 HydrophobicContact CB-CD2 3.4Å; L147-L306 HydrophobicContact CB-CG 3.71Å; L147-L306 HydrophobicContact CD1-CD2 4.28Å; L147-L306 HydrophobicContact CG-CD2 4.5Å; M148-L306 HydrophobicContact CG-CD1 4.32Å; M148-L306 HydrophobicContact CG-CD2 3.95Å; P301-L306 HydrophobicContact CB-CD1 3.94Å; N302-L306 WeakPolarHBondContact O-CB 3.47Å; N302-L306 VanDerWaalsContact O-CG 3.26Å; N302-L306 WeakPolarHBondContact O-CG 3.12Å; N302-L306 PolarHBondContact O-N 3.07Å; E303-L306 PolarHBondContact O-N 3.36Å; L306-M310 VanDerWaalsContact O-CB 3.26Å; L306-M310 WeakPolarHBondContact O-CB 3.45Å; L306-M310 WeakPolarHBondContact O-CG 3.43Å; L306-M310 PolarHBondContact O-N 2.96Å; L306-I325 HydrophobicContact CB-CD1 3.64Å; L306-I325 HydrophobicContact CB-CG1 4.43Å; L306-I325 HydrophobicContact CD1-CD1 3.9Å; L306-I325 HydrophobicContact CD1-CG1 3.82Å; L306-I325 HydrophobicContact CG-CD1 4.41Å
307	V	97.9	Very high	96.4	Very high	8 Å²	8	62.4 Å²	62.4	5%	0.048	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-41.2	177.8	171.5	0	0	0	0	110.6	E303 D304 C311 K312 E318 R322 I325	E303-V307 WeakPolarHBondContact O-CG2 3.25Å; E303-V307 PolarHBondContact O-N 3.47Å; D304-V307 PolarHBondContact O-N 3.4Å; V307-C311 HydrophobicContact CG1-CB 4.22Å; V307-C311 WeakPolarHBondContact O-CA 2.87Å; V307-C311 WeakPolarHBondContact O-CB 3.38Å; V307-C311 PolarHBondContact O-N 3.42Å; V307-K312 PolarHBondContact O-N 2.76Å; V307-E318 HydrophobicContact CG1-CG 4.03Å; V307-R322 HydrophobicContact CG2-CG 3.91Å; V307-I325 HydrophobicContact CG2-CD1 4.06Å
308	Q	97.9	Very high	96.5	Very high	102 Å²	102	59.2 Å²	59.2	48%	0.477	29%	0.29	S	S	.	.	I	π-helix	trans	-58.2	-52	174.6	-178.2	61.5	21.9	0	0	111.1	D304 E305 K312 E313	D304-Q308 WeakPolarHBondContact O-CB 3.45Å; D304-Q308 PolarHBondContact O-N 3.34Å; E305-Q308 PolarHBondContact O-N 2.96Å; Q308-K312 WeakPolarHBondContact O-CA 3.36Å; Q308-K312 VanDerWaalsContact O-CB 3.28Å; Q308-K312 WeakPolarHBondContact O-CB 3.36Å; Q308-K312 PolarHBondContact O-N 3.15Å; Q308-E313 PolarHBondContact O-N 3.38Å; Q308-E313 VanDerWaalsContact O-N 3.11Å
309	F	98.1	Very high	96.6	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.018	31%	0.311	C	S	.	.	I	π-helix	trans	-66.7	-53.3	-177.8	177.4	-126.9	0	0	0	112.6	L64 E140 K143 L144 L147 E305 E313 K314	L64-F309 HydrophobicContact CD1-CE1 4.27Å; L64-F309 HydrophobicContact CD1-CZ 4.01Å; L64-F309 HydrophobicContact CD2-CE1 4.22Å; L64-F309 HydrophobicContact CD2-CZ 4.3Å; E140-F309 HydrophobicContact CB-CZ 4.17Å; E140-F309 HydrophobicContact CG-CZ 4.46Å; K143-F309 HydrophobicContact CD-CD2 3.9Å; K143-F309 HydrophobicContact CD-CE1 4.46Å; K143-F309 HydrophobicContact CD-CE2 3.8Å; K143-F309 HydrophobicContact CD-CG 4.27Å; K143-F309 HydrophobicContact CD-CZ 4.1Å; K143-F309 HydrophobicContact CG-CE1 4.47Å; K143-F309 VanDerWaalsContact NZ-CD2 3.33Å; L144-F309 HydrophobicContact CB-CE1 4.12Å; L147-F309 HydrophobicContact CD1-CB 3.92Å; L147-F309 HydrophobicContact CD1-CD1 4.07Å; L147-F309 HydrophobicContact CD1-CG 4.24Å; E305-F309 VanDerWaalsContact O-CB 3.3Å; E305-F309 WeakPolarHBondContact O-CB 3.39Å; E305-F309 PolarHBondContact O-N 3.01Å; F309-E313 VanDerWaalsContact CD2-OE2 3.29Å; F309-E313 WeakPolarHBondContact CD2-OE2 3.29Å; F309-E313 WeakPolarHBondContact O-CB 3.34Å; F309-K314 HydrophobicContact CD2-CG 4.4Å; F309-K314 HydrophobicContact CE2-CG 4.04Å; F309-K314 HydrophobicContact CZ-CG 4.36Å; F309-K314 WeakPolarHBondContact O-CG 3.3Å; F309-K314 PolarHBondContact O-N 2.84Å
310	M	97.8	Very high	96.6	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.318	C	S	.	.	I	π-helix	trans	-73.9	-41.3	-174.5	-65.5	-67.5	-76.4	0	0	111.5	L64 F68 L144 L306 K314 Q315 F316 I321	L64-M310 HydrophobicContact CB-CE 4.12Å; L64-M310 HydrophobicContact CB-SD 4.21Å; L64-M310 HydrophobicContact CD1-SD 4.41Å; F68-M310 HydrophobicContact CB-CE 4.3Å; F68-M310 HydrophobicContact CG-CE 4.41Å; L144-M310 HydrophobicContact CD1-CG 4.21Å; L144-M310 HydrophobicContact CD1-SD 3.8Å; L144-M310 HydrophobicContact CD2-SD 4.49Å; L306-M310 VanDerWaalsContact O-CB 3.26Å; L306-M310 WeakPolarHBondContact O-CB 3.45Å; L306-M310 WeakPolarHBondContact O-CG 3.43Å; L306-M310 PolarHBondContact O-N 2.96Å; M310-K314 CarbonylContact O-C 3.58Å; M310-K314 VanDerWaalsContact O-C 3.25Å; M310-Q315 PolarHBondContact O-N 3.2Å; M310-F316 HydrophobicContact CB-CB 4.42Å; M310-F316 HydrophobicContact CB-CD2 4.17Å; M310-F316 HydrophobicContact CE-CD2 3.6Å; M310-F316 HydrophobicContact CE-CE2 3.59Å; M310-F316 HydrophobicContact CE-CG 4.17Å; M310-F316 HydrophobicContact CE-CZ 4.13Å; M310-F316 VanDerWaalsContact O-CB 3.3Å; M310-F316 WeakPolarHBondContact O-CB 3.46Å; M310-F316 VanDerWaalsContact O-CD2 3.25Å; M310-F316 WeakPolarHBondContact O-CD2 3.41Å; M310-F316 PolarHBondContact O-N 3.34Å; M310-F316 HydrophobicContact SD-CD2 4.14Å; M310-F316 HydrophobicContact SD-CE2 4.17Å; M310-I321 HydrophobicContact CB-CD1 4.12Å; M310-I321 HydrophobicContact CB-CG1 4.03Å; M310-I321 HydrophobicContact CB-CG2 4.13Å; M310-I321 HydrophobicContact CE-CD1 3.89Å; M310-I321 HydrophobicContact CG-CD1 4.49Å
311	C	96.5	Very high	96.7	Very high	13 Å²	13	62.3 Å²	62.3	9%	0.088	29%	0.293	C	S	.	.	I	π-helix	trans	-95.4	-39.6	-170.4	-52.9	0	0	0	0	113.4	V307 Q315 F316 E318	V307-C311 HydrophobicContact CG1-CB 4.22Å; V307-C311 WeakPolarHBondContact O-CA 2.87Å; V307-C311 WeakPolarHBondContact O-CB 3.38Å; V307-C311 PolarHBondContact O-N 3.42Å; C311-Q315 VanDerWaalsContact O-CA 3.28Å; C311-Q315 WeakPolarHBondContact O-CA 3.42Å; C311-Q315 PolarHBondContact O-N 2.71Å; C311-F316 WeakPolarHBondContact CA-O 3.49Å; C311-F316 WeakPolarHBondContact CB-O 3.12Å; C311-F316 PolarHBondContact SG-O 3.26Å; C311-E318 HydrophobicContact CB-CB 4.26Å; C311-E318 VanDerWaalsContact SG-CA 3.51Å
312	K	94.7	Very high	96.7	Very high	122 Å²	122	65.5 Å²	65.5	53%	0.53	30%	0.303	S	S	.	.	I	π-helix	trans	-85.8	-48.2	-178.7	-53.3	-57.5	-176.8	-167.4	0	111.8	V307 Q308 E318	V307-K312 PolarHBondContact O-N 2.76Å; Q308-K312 WeakPolarHBondContact O-CA 3.36Å; Q308-K312 VanDerWaalsContact O-CB 3.28Å; Q308-K312 WeakPolarHBondContact O-CB 3.36Å; Q308-K312 PolarHBondContact O-N 3.15Å; K312-E318 IonicContact NZ-OE2 3.04Å
313	E	94.8	Very high	96.7	Very high	84 Å²	84	66.4 Å²	66.4	39%	0.393	31%	0.308	S	S	.	.	I	π-helix	trans	-78.4	-49	179.8	-58.5	172.2	-148.1	0	0	111.4	K143 Q308 F309	K143-E313 IonicContact NZ-OE1 3.83Å; K143-E313 PolarHBondContact NZ-OE1 3.08Å; K143-E313 IonicContact NZ-OE2 2.69Å; K143-E313 PolarHBondContact NZ-OE2 3.46Å; Q308-E313 PolarHBondContact O-N 3.38Å; Q308-E313 VanDerWaalsContact O-N 3.11Å; F309-E313 VanDerWaalsContact CD2-OE2 3.29Å; F309-E313 WeakPolarHBondContact CD2-OE2 3.29Å; F309-E313 WeakPolarHBondContact O-CB 3.34Å
314	K	95.9	Very high	96.8	Very high	14 Å²	14	62.6 Å²	62.6	6%	0.061	29%	0.291	C	S	.	.	S	Bend	trans	-99	6.3	-173.8	-57.6	-63.5	178.4	178	0	114.7	E59 T61 L64 E140 F309 M310 F316	E59-K314 IonicContact OE1-NZ 3.47Å; E59-K314 IonicContact OE2-NZ 2.84Å; E59-K314 PolarHBondContact OE2-NZ 3.36Å; T61-K314 HydrophobicContact CG2-CB 4.39Å; T61-K314 HydrophobicContact CG2-CD 4.49Å; L64-K314 HydrophobicContact CD1-CB 4.28Å; L64-K314 HydrophobicContact CD1-CD 4.1Å; L64-K314 HydrophobicContact CD1-CG 3.72Å; E140-K314 WeakPolarHBondContact OE1-CE 3.49Å; E140-K314 IonicContact OE1-NZ 2.65Å; E140-K314 PolarHBondContact OE1-NZ 3.43Å; E140-K314 IonicContact OE2-NZ 2.75Å; F309-K314 HydrophobicContact CD2-CG 4.4Å; F309-K314 HydrophobicContact CE2-CG 4.04Å; F309-K314 HydrophobicContact CZ-CG 4.36Å; F309-K314 WeakPolarHBondContact O-CG 3.3Å; F309-K314 PolarHBondContact O-N 2.84Å; M310-K314 CarbonylContact O-C 3.58Å; M310-K314 VanDerWaalsContact O-C 3.25Å; K314-F316 HydrophobicContact CB-CD2 3.86Å; K314-F316 HydrophobicContact CB-CE2 3.93Å; K314-F316 PolarHBondContact O-N 2.83Å; K314-F316 VanDerWaalsContact O-N 3.13Å
315	Q	95.5	Very high	96.8	Very high	83 Å²	83	56.8 Å²	56.8	39%	0.388	26%	0.26	S	S	.	.			trans	57.1	26.3	170.4	-58.5	-177.6	-30.5	0	0	115.6	N55 E56 M310 C311	N55-Q315 HydrophobicContact CB-CB 4.43Å; N55-Q315 HydrophobicContact CB-CG 4.44Å; E56-Q315 VanDerWaalsContact CD-NE2 3.32Å; E56-Q315 VanDerWaalsContact CG-OE1 3.24Å; E56-Q315 PolarHBondContact OE2-NE2 3.3Å; M310-Q315 PolarHBondContact O-N 3.2Å; C311-Q315 VanDerWaalsContact O-CA 3.28Å; C311-Q315 WeakPolarHBondContact O-CA 3.42Å; C311-Q315 PolarHBondContact O-N 2.71Å
316	F	95.8	Very high	96.7	Very high	29 Å²	29	59 Å²	59	13%	0.127	27%	0.268	C	S	.	.			trans	-70.4	148.5	171.1	-73.9	-80.4	0	0	0	111.8	T61 L64 M65 M310 C311 K314 E318 I321	T61-F316 HydrophobicContact CG2-CE2 4.38Å; L64-F316 HydrophobicContact CB-CE2 4.1Å; L64-F316 HydrophobicContact CB-CZ 4.25Å; L64-F316 HydrophobicContact CD1-CE2 4.39Å; M65-F316 HydrophobicContact CB-CE1 3.82Å; M65-F316 HydrophobicContact CB-CZ 3.98Å; M65-F316 HydrophobicContact CG-CE1 4.18Å; M65-F316 HydrophobicContact SD-CE1 4.21Å; M310-F316 HydrophobicContact CB-CB 4.42Å; M310-F316 HydrophobicContact CB-CD2 4.17Å; M310-F316 HydrophobicContact CE-CD2 3.6Å; M310-F316 HydrophobicContact CE-CE2 3.59Å; M310-F316 HydrophobicContact CE-CG 4.17Å; M310-F316 HydrophobicContact CE-CZ 4.13Å; M310-F316 VanDerWaalsContact O-CB 3.3Å; M310-F316 WeakPolarHBondContact O-CB 3.46Å; M310-F316 VanDerWaalsContact O-CD2 3.25Å; M310-F316 WeakPolarHBondContact O-CD2 3.41Å; M310-F316 PolarHBondContact O-N 3.34Å; M310-F316 HydrophobicContact SD-CD2 4.14Å; M310-F316 HydrophobicContact SD-CE2 4.17Å; C311-F316 WeakPolarHBondContact CA-O 3.49Å; C311-F316 WeakPolarHBondContact CB-O 3.12Å; C311-F316 PolarHBondContact SG-O 3.26Å; K314-F316 HydrophobicContact CB-CD2 3.86Å; K314-F316 HydrophobicContact CB-CE2 3.93Å; K314-F316 PolarHBondContact O-N 2.83Å; K314-F316 VanDerWaalsContact O-N 3.13Å; F316-E318 PolarHBondContact O-N 2.91Å; F316-I321 HydrophobicContact CB-CD1 3.96Å; F316-I321 HydrophobicContact CB-CG1 3.75Å; F316-I321 HydrophobicContact CG-CD1 4.3Å
317	N	96.4	Very high	96.5	Very high	85 Å²	85	63.8 Å²	63.8	46%	0.455	29%	0.286	S	S	.	.			trans	-59.3	120.4	175	176.4	-83.4	0	0	0	111.8	E319 R320 I321	N317-E319 PolarHBondContact O-N 3.48Å; N317-E319 WeakPolarHBondContact OD1-CB 3.27Å; N317-E319 PolarHBondContact OD1-N 2.92Å; N317-R320 HydrophobicContact CB-CB 4.31Å; N317-R320 HydrophobicContact CB-CG 4.31Å; N317-R320 PolarHBondContact O-N 3.44Å; N317-R320 WeakPolarHBondContact OD1-CG 3.33Å; N317-R320 PolarHBondContact OD1-N 3.31Å; N317-I321 WeakPolarHBondContact O-CG1 3.33Å; N317-I321 PolarHBondContact O-N 3.28Å; N317-I321 VanDerWaalsContact O-N 3.13Å
318	E	96.8	Very high	96.4	Very high	68 Å²	68	63.4 Å²	63.4	32%	0.318	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-43.1	-173	-173.3	171.8	161.4	0	0	113.6	V307 C311 K312 F316 R320 I321 R322	V307-E318 HydrophobicContact CG1-CG 4.03Å; C311-E318 HydrophobicContact CB-CB 4.26Å; C311-E318 VanDerWaalsContact SG-CA 3.51Å; K312-E318 IonicContact NZ-OE2 3.04Å; F316-E318 PolarHBondContact O-N 2.91Å; E318-R320 VanDerWaalsContact C-N 3.32Å; E318-R320 PolarHBondContact O-N 3.04Å; E318-I321 PolarHBondContact O-N 3.11Å; E318-R322 HydrophobicContact CG-CG 4.31Å; E318-R322 WeakPolarHBondContact O-CB 3.44Å; E318-R322 WeakPolarHBondContact O-CG 3.47Å; E318-R322 PolarHBondContact O-N 3.15Å; E318-R322 IonicContact OE1-CZ 3.35Å; E318-R322 VanDerWaalsContact OE1-CZ 3.3Å; E318-R322 IonicContact OE1-NE 2.69Å; E318-R322 PolarHBondContact OE1-NE 3.04Å; E318-R322 IonicContact OE1-NH2 3.19Å; E318-R322 PolarHBondContact OE1-NH2 3Å
319	E	96.9	Very high	96.2	Very high	136 Å²	136	59.8 Å²	59.8	64%	0.636	27%	0.27	S	S	*	.	H	α-helix	trans	-59.8	-43.9	178.8	-171.7	-172	170	0	0	111.5	N317 N323	N317-E319 PolarHBondContact O-N 3.48Å; N317-E319 WeakPolarHBondContact OD1-CB 3.27Å; N317-E319 PolarHBondContact OD1-N 2.92Å; E319-N323 VanDerWaalsContact O-CB 3.31Å; E319-N323 WeakPolarHBondContact O-CB 3.33Å; E319-N323 VanDerWaalsContact O-CG 3.22Å; E319-N323 PolarHBondContact O-N 2.89Å; E319-N323 PolarHBondContact O-ND2 3.1Å; E319-N323 VanDerWaalsContact O-ND2 3.13Å
320	R	95.4	Very high	95.9	Very high	168 Å²	168	67.3 Å²	67.3	63%	0.634	30%	0.302	S	S	*	.	H	α-helix	trans	-63.6	-43.5	177.5	-72.8	-177	179.9	-174.9	0.6	112.2	N317 E318 N323 G324	N317-R320 HydrophobicContact CB-CB 4.31Å; N317-R320 HydrophobicContact CB-CG 4.31Å; N317-R320 PolarHBondContact O-N 3.44Å; N317-R320 WeakPolarHBondContact OD1-CG 3.33Å; N317-R320 PolarHBondContact OD1-N 3.31Å; E318-R320 VanDerWaalsContact C-N 3.32Å; E318-R320 PolarHBondContact O-N 3.04Å; R320-N323 PolarHBondContact O-N 3.16Å; R320-G324 PolarHBondContact O-N 3.32Å
321	I	97.7	Very high	95.3	Very high	2 Å²	2	69.1 Å²	69.1	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-49.2	178.8	-64.6	-56.6	0	0	0	110.6	F68 M310 F316 N317 E318 N323 G324 I325	F68-I321 HydrophobicContact CD1-CD1 4.18Å; F68-I321 HydrophobicContact CE1-CD1 3.86Å; F68-I321 HydrophobicContact CZ-CD1 4.26Å; F68-I321 HydrophobicContact CZ-CG2 4.26Å; M310-I321 HydrophobicContact CB-CD1 4.12Å; M310-I321 HydrophobicContact CB-CG1 4.03Å; M310-I321 HydrophobicContact CB-CG2 4.13Å; M310-I321 HydrophobicContact CE-CD1 3.89Å; M310-I321 HydrophobicContact CG-CD1 4.49Å; F316-I321 HydrophobicContact CB-CD1 3.96Å; F316-I321 HydrophobicContact CB-CG1 3.75Å; F316-I321 HydrophobicContact CG-CD1 4.3Å; N317-I321 WeakPolarHBondContact O-CG1 3.33Å; N317-I321 PolarHBondContact O-N 3.28Å; N317-I321 VanDerWaalsContact O-N 3.13Å; E318-I321 PolarHBondContact O-N 3.11Å; I321-N323 VanDerWaalsContact C-N 3.31Å; I321-N323 PolarHBondContact O-N 3.4Å; I321-G324 CarbonylContact O-C 3.51Å; I321-G324 WeakPolarHBondContact O-CA 3.42Å; I321-G324 PolarHBondContact O-N 3.28Å; I321-I325 HydrophobicContact CG2-CD1 3.84Å; I321-I325 HydrophobicContact CG2-CG1 4.35Å; I321-I325 WeakPolarHBondContact O-CG1 3.32Å; I321-I325 PolarHBondContact O-N 3.41Å
322	R	97.3	Very high	94.4	Very high	84 Å²	84	71.1 Å²	71.1	32%	0.317	32%	0.321	S	S	.	.	H	α-helix	trans	-58.4	-41.7	176.9	-71.6	-173.9	-178.7	-77.6	1.6	112.5	E303 V307 E318 G324 I325 K326	E303-R322 IonicContact OE1-NH1 2.8Å; E303-R322 PolarHBondContact OE1-NH1 2.96Å; V307-R322 HydrophobicContact CG2-CG 3.91Å; E318-R322 HydrophobicContact CG-CG 4.31Å; E318-R322 WeakPolarHBondContact O-CB 3.44Å; E318-R322 WeakPolarHBondContact O-CG 3.47Å; E318-R322 PolarHBondContact O-N 3.15Å; E318-R322 IonicContact OE1-CZ 3.35Å; E318-R322 VanDerWaalsContact OE1-CZ 3.3Å; E318-R322 IonicContact OE1-NE 2.69Å; E318-R322 PolarHBondContact OE1-NE 3.04Å; E318-R322 IonicContact OE1-NH2 3.19Å; E318-R322 PolarHBondContact OE1-NH2 3Å; R322-G324 VanDerWaalsContact C-N 3.32Å; R322-G324 PolarHBondContact O-N 3.08Å; R322-I325 PolarHBondContact O-N 2.95Å; R322-K326 WeakPolarHBondContact O-CB 3.48Å; R322-K326 PolarHBondContact O-N 3.24Å
323	N	97.1	Very high	93.3	Very high	81 Å²	81	72.9 Å²	72.9	43%	0.433	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-38.5	174.1	-76.6	-30.6	0	0	0	112.3	E319 R320 I321 R327	E319-N323 VanDerWaalsContact O-CB 3.31Å; E319-N323 WeakPolarHBondContact O-CB 3.33Å; E319-N323 VanDerWaalsContact O-CG 3.22Å; E319-N323 PolarHBondContact O-N 2.89Å; E319-N323 PolarHBondContact O-ND2 3.1Å; E319-N323 VanDerWaalsContact O-ND2 3.13Å; R320-N323 PolarHBondContact O-N 3.16Å; I321-N323 VanDerWaalsContact C-N 3.31Å; I321-N323 PolarHBondContact O-N 3.4Å; N323-R327 WeakPolarHBondContact O-CD 3.36Å; N323-R327 VanDerWaalsContact O-CG 3.29Å; N323-R327 WeakPolarHBondContact O-CG 3.17Å; N323-R327 PolarHBondContact O-N 2.92Å; N323-R327 VanDerWaalsContact O-N 3.16Å
324	G	96.9	Very high	91.7	Very high	2 Å²	2	71.1 Å²	71.1	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-63.2	-45.6	172.8	0	0	0	0	0	113.1	I72 R320 I321 R322 K326 R327 L328	I72-G324 WeakPolarHBondContact CD1-O 3.18Å; R320-G324 PolarHBondContact O-N 3.32Å; I321-G324 CarbonylContact O-C 3.51Å; I321-G324 WeakPolarHBondContact O-CA 3.42Å; I321-G324 PolarHBondContact O-N 3.28Å; R322-G324 VanDerWaalsContact C-N 3.32Å; R322-G324 PolarHBondContact O-N 3.08Å; G324-K326 PolarHBondContact O-N 3.35Å; G324-R327 WeakPolarHBondContact O-CB 3.44Å; G324-R327 PolarHBondContact O-N 3.04Å; G324-L328 PolarHBondContact O-N 2.89Å
325	I	96.8	Very high	89.8	Confident	1 Å²	1	76 Å²	76	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-61.3	-46.2	177.1	-62.8	168.2	0	0	0	110.2	F68 P301 E303 L306 V307 I321 R322 R327 L328 S329	F68-I325 HydrophobicContact CE2-CG1 4.35Å; F68-I325 HydrophobicContact CZ-CG1 4.16Å; P301-I325 HydrophobicContact CG-CG2 4.35Å; E303-I325 HydrophobicContact CB-CG2 4.11Å; E303-I325 HydrophobicContact CG-CD1 4.07Å; E303-I325 HydrophobicContact CG-CG2 4.07Å; L306-I325 HydrophobicContact CB-CD1 3.64Å; L306-I325 HydrophobicContact CB-CG1 4.43Å; L306-I325 HydrophobicContact CD1-CD1 3.9Å; L306-I325 HydrophobicContact CD1-CG1 3.82Å; L306-I325 HydrophobicContact CG-CD1 4.41Å; V307-I325 HydrophobicContact CG2-CD1 4.06Å; I321-I325 HydrophobicContact CG2-CD1 3.84Å; I321-I325 HydrophobicContact CG2-CG1 4.35Å; I321-I325 WeakPolarHBondContact O-CG1 3.32Å; I321-I325 PolarHBondContact O-N 3.41Å; R322-I325 PolarHBondContact O-N 2.95Å; I325-R327 VanDerWaalsContact C-N 3.28Å; I325-R327 PolarHBondContact O-N 3.35Å; I325-L328 WeakPolarHBondContact O-CA 3.49Å; I325-L328 VanDerWaalsContact O-CB 3.31Å; I325-L328 WeakPolarHBondContact O-CB 3.42Å; I325-L328 PolarHBondContact O-N 3.38Å; I325-S329 PolarHBondContact O-N 2.9Å; I325-S329 PolarHBondContact O-OG 3.44Å
326	K	96	Very high	88.1	Confident	154 Å²	154	74.7 Å²	74.7	67%	0.67	37%	0.369	S	S	*	.	H	α-helix	trans	-57.1	-40.5	177.1	-174	176.3	-176.6	175	0	112.6	R322 G324 K330	R322-K326 WeakPolarHBondContact O-CB 3.48Å; R322-K326 PolarHBondContact O-N 3.24Å; G324-K326 PolarHBondContact O-N 3.35Å; K326-K330 VanDerWaalsContact O-CB 3.29Å; K326-K330 WeakPolarHBondContact O-CB 3.4Å; K326-K330 PolarHBondContact O-N 2.88Å
327	R	95.3	Very high	86.5	Confident	99 Å²	99	81.1 Å²	81.1	37%	0.374	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-42.8	174.9	-72.9	165.6	63.7	-168.4	0.7	111.7	I72 E76 N323 G324 I325 S331	I72-R327 HydrophobicContact CG2-CB 4.09Å; E76-R327 VanDerWaalsContact CD-NH2 3.3Å; E76-R327 WeakPolarHBondContact OE1-CB 3.49Å; E76-R327 IonicContact OE1-CZ 3.56Å; E76-R327 IonicContact OE1-NE 3.7Å; E76-R327 PolarHBondContact OE1-NE 3.37Å; E76-R327 IonicContact OE1-NH2 2.67Å; E76-R327 PolarHBondContact OE1-NH2 3.41Å; E76-R327 IonicContact OE2-CZ 3.58Å; E76-R327 IonicContact OE2-NE 2.89Å; E76-R327 IonicContact OE2-NH2 2.59Å; E76-R327 PolarHBondContact OE2-NH2 2.89Å; N323-R327 WeakPolarHBondContact O-CD 3.36Å; N323-R327 VanDerWaalsContact O-CG 3.29Å; N323-R327 WeakPolarHBondContact O-CG 3.17Å; N323-R327 PolarHBondContact O-N 2.92Å; N323-R327 VanDerWaalsContact O-N 3.16Å; G324-R327 WeakPolarHBondContact O-CB 3.44Å; G324-R327 PolarHBondContact O-N 3.04Å; I325-R327 VanDerWaalsContact C-N 3.28Å; I325-R327 PolarHBondContact O-N 3.35Å; R327-S331 WeakPolarHBondContact O-CB 3.35Å; R327-S331 PolarHBondContact O-N 3.46Å; R327-S331 VanDerWaalsContact O-N 3.15Å; R327-S331 PolarHBondContact O-OG 2.97Å
328	L	95.1	Very high	84.8	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-59.7	-51.4	176.5	-174.9	61.7	0	0	0	111.6	I72 V75 M148 P301 G324 I325 S331	I72-L328 HydrophobicContact CG1-CB 4.24Å; I72-L328 HydrophobicContact CG1-CD1 4.38Å; V75-L328 HydrophobicContact CB-CD1 3.93Å; V75-L328 HydrophobicContact CG1-CD1 3.87Å; V75-L328 HydrophobicContact CG2-CD1 3.99Å; M148-L328 HydrophobicContact CB-CD2 4.02Å; M148-L328 HydrophobicContact CE-CD2 3.9Å; M148-L328 HydrophobicContact CG-CD2 4.28Å; P301-L328 HydrophobicContact CB-CD2 3.94Å; P301-L328 HydrophobicContact CG-CD2 4.14Å; P301-L328 HydrophobicContact CG-CG 4.44Å; G324-L328 PolarHBondContact O-N 2.89Å; I325-L328 WeakPolarHBondContact O-CA 3.49Å; I325-L328 VanDerWaalsContact O-CB 3.31Å; I325-L328 WeakPolarHBondContact O-CB 3.42Å; I325-L328 PolarHBondContact O-N 3.38Å; L328-S331 PolarHBondContact O-N 3.15Å
329	S	92.9	Very high	83.8	Confident	27 Å²	27	80.3 Å²	80.3	19%	0.189	40%	0.401	C	S	.	.	H	α-helix	trans	-65.2	-42.7	-178.9	-49.7	0	0	0	0	112	P301 I325 S331 R332	P301-S329 VanDerWaalsContact CG-OG 3.3Å; P301-S329 WeakPolarHBondContact CG-OG 3.5Å; I325-S329 PolarHBondContact O-N 2.9Å; I325-S329 PolarHBondContact O-OG 3.44Å; S329-S331 VanDerWaalsContact C-N 3.27Å; S329-S331 PolarHBondContact O-N 2.93Å; S329-R332 PolarHBondContact O-N 3.13Å
330	K	91.7	Very high	82.7	Confident	161 Å²	161	79.7 Å²	79.7	70%	0.7	40%	0.402	S	S	*	.	H	α-helix	trans	-60.1	-38.1	177.9	-175.4	179.4	179	-176.8	0	112.3	K326 R332 Q333	K326-K330 VanDerWaalsContact O-CB 3.29Å; K326-K330 WeakPolarHBondContact O-CB 3.4Å; K326-K330 PolarHBondContact O-N 2.88Å; K330-R332 PolarHBondContact O-N 3.46Å; K330-Q333 PolarHBondContact O-N 3.03Å
331	S	86.5	Confident	81.8	Confident	39 Å²	39	75.7 Å²	75.7	27%	0.273	39%	0.393	S	S	.	.	H	α-helix	trans	-70.2	-18.4	-176.8	-58	0	0	0	0	113.4	E76 R327 L328 S329	E76-S331 WeakPolarHBondContact CA-OG 3.26Å; E76-S331 VanDerWaalsContact CG-OG 3.25Å; E76-S331 WeakPolarHBondContact CG-OG 3.33Å; R327-S331 WeakPolarHBondContact O-CB 3.35Å; R327-S331 PolarHBondContact O-N 3.46Å; R327-S331 VanDerWaalsContact O-N 3.15Å; R327-S331 PolarHBondContact O-OG 2.97Å; L328-S331 PolarHBondContact O-N 3.15Å; S329-S331 VanDerWaalsContact C-N 3.27Å; S329-S331 PolarHBondContact O-N 2.93Å
332	R	77.6	Confident	80.6	Confident	54 Å²	54	79.3 Å²	79.3	20%	0.204	41%	0.412	C	S	.	.	H	α-helix	trans	-87	-22	177.9	-77.6	173.4	156.1	-105.4	8.8	114.6	V75 G149 W298 T299 S329 K330 G334	V75-R332 HydrophobicContact CG1-CG 4.34Å; G149-R332 PolarHBondContact O-NH2 3.36Å; W298-R332 PolarHBondContact O-NH1 2.79Å; T299-R332 VanDerWaalsContact C-NH1 3.25Å; T299-R332 PolarHBondContact O-NH1 3.45Å; T299-R332 PolarHBondContact O-NH2 3.01Å; S329-R332 PolarHBondContact O-N 3.13Å; K330-R332 PolarHBondContact O-N 3.46Å; R332-G334 PolarHBondContact O-N 3.14Å
333	Q	70.9	Confident	79.4	Confident	160 Å²	160	82.7 Å²	82.7	75%	0.748	43%	0.43	S	S	*	.	S	Bend	trans	-73.3	-11.5	-178.3	-67.3	177.6	-8.7	0	0	113.4	K330	K330-Q333 PolarHBondContact O-N 3.03Å
334	G	60.6	Low	78.4	Confident	46 Å²	46	85.5 Å²	85.5	47%	0.474	44%	0.438	S	S	.	.	S	Bend	trans	-78	127.3	174.2	0	0	0	0	0	111.6	R332 T336	R332-G334 PolarHBondContact O-N 3.14Å; G334-T336 PolarHBondContact O-N 2.98Å
335	S	56.8	Low	77.1	Confident	116 Å²	116	95 Å²	95	81%	0.811	48%	0.479	S	S	*	.			trans	-59.9	109.9	170.1	59.6	0	0	0	0	109.6	Q337	S335-Q337 PolarHBondContact O-N 3.23Å
336	T	59.9	Low	76	Confident	57 Å²	57	100.5 Å²	100.5	35%	0.35	51%	0.513	S	S	.	.			trans	-70.1	104.3	173.4	53.5	0	0	0	0	109.1	F27 K80 G334 G338	F27-T336 HydrophobicContact CE1-CG2 4.48Å; F27-T336 HydrophobicContact CZ-CG2 4.19Å; K80-T336 PolarHBondContact NZ-OG1 2.74Å; G334-T336 PolarHBondContact O-N 2.98Å; T336-G338 PolarHBondContact O-N 3.35Å
337	Q	61.3	Low	74.8	Confident	163 Å²	163	100.1 Å²	100.1	76%	0.762	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-62.5	122.2	167.4	-176.1	174.9	-5.6	0	0	108.5	S335	S335-Q337 PolarHBondContact O-N 3.23Å
338	G	62.3	Low	73.2	Confident	47 Å²	47	98 Å²	98	49%	0.485	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-65.6	147.2	177.7	0	0	0	0	0	111.8	T336	T336-G338 PolarHBondContact O-N 3.35Å
339	R	74.6	Confident	71.7	Confident	89 Å²	89	102 Å²	102	34%	0.336	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-89.5	144.1	178.3	-61.4	-176.5	67.5	101.8	2.4	110.6	A25 F27 D341 D342 F343	A25-R339 PolarHBondContact O-NH1 3.05Å; A25-R339 VanDerWaalsContact O-NH1 3.17Å; F27-R339 WeakPolarHBondContact O-CD 3.46Å; R339-D341 VanDerWaalsContact C-N 3.26Å; R339-D341 PolarHBondContact O-N 3.25Å; R339-D342 WeakPolarHBondContact O-CB 3.19Å; R339-D342 PolarHBondContact O-N 2.7Å; R339-F343 WeakPolarHBondContact O-CD2 3.43Å; R339-F343 WeakPolarHBondContact O-CE2 3.36Å
340	L	73.9	Confident	70.1	Confident	124 Å²	124	109.1 Å²	109.1	65%	0.649	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-57.3	-38.6	178.5	-72.8	169.4	0	0	0	112.7	D342 F343 F344	L340-D342 PolarHBondContact O-N 2.95Å; L340-D342 VanDerWaalsContact O-N 3.16Å; L340-F343 PolarHBondContact O-N 3.15Å; L340-F344 HydrophobicContact CD2-CD2 4.46Å; L340-F344 HydrophobicContact CD2-CE2 4.04Å; L340-F344 WeakPolarHBondContact O-CD2 3.39Å; L340-F344 PolarHBondContact O-N 2.67Å; L340-F344 VanDerWaalsContact O-N 3.12Å
341	D	76.5	Confident	68.4	Low	83 Å²	83	107 Å²	107	44%	0.444	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-66.5	-16.8	-179.3	-36.7	-43.5	0	0	0	113.1	R29 R339 F343	R29-D341 IonicContact CZ-OD2 3.25Å; R29-D341 IonicContact NH2-OD2 2.7Å; R29-D341 PolarHBondContact NH2-OD2 3.29Å; R339-D341 VanDerWaalsContact C-N 3.26Å; R339-D341 PolarHBondContact O-N 3.25Å; D341-F343 VanDerWaalsContact C-N 3.3Å
342	D	73.3	Confident	66.8	Low	78 Å²	78	110.5 Å²	110.5	42%	0.417	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-76.9	-20.3	172.8	-61.4	-38.5	0	0	0	111.5	R29 R339 L340	R29-D342 IonicContact CZ-OD1 2.71Å; R29-D342 IonicContact NH1-OD1 3.27Å; R29-D342 PolarHBondContact NH1-OD1 3.49Å; R29-D342 IonicContact NH1-OD2 2.81Å; R339-D342 WeakPolarHBondContact O-CB 3.19Å; R339-D342 PolarHBondContact O-N 2.7Å; L340-D342 PolarHBondContact O-N 2.95Å; L340-D342 VanDerWaalsContact O-N 3.16Å
343	F	71.2	Confident	65.9	Low	155 Å²	155	112.6 Å²	112.6	68%	0.68	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-27.7	-179.1	-61.9	-81.9	0	0	0	113.3	R339 L340 D341	R339-F343 WeakPolarHBondContact O-CD2 3.43Å; R339-F343 WeakPolarHBondContact O-CE2 3.36Å; L340-F343 PolarHBondContact O-N 3.15Å; D341-F343 VanDerWaalsContact C-N 3.3Å
344	F	75.9	Confident	65.1	Low	140 Å²	140	114.9 Å²	114.9	61%	0.614	66%	0.656	S	S	*	*	S	Bend	trans	-119.9	131.4	-175.4	-60.4	-76.2	0	0	0	111.5	L340 V346	L340-F344 HydrophobicContact CD2-CD2 4.46Å; L340-F344 HydrophobicContact CD2-CE2 4.04Å; L340-F344 WeakPolarHBondContact O-CD2 3.39Å; L340-F344 PolarHBondContact O-N 2.67Å; L340-F344 VanDerWaalsContact O-N 3.12Å; F344-V346 PolarHBondContact O-N 3.3Å
345	K	71.1	Confident	64.8	Low	201 Å²	201	124.3 Å²	124.3	87%	0.874	68%	0.677	S	S	*	*			trans	-68.4	128.2	170.6	-69.7	-174.6	179.5	-177.9	0	109.6	T347	K345-T347 PolarHBondContact O-N 3.01Å
346	V	73.7	Confident	64.5	Low	118 Å²	118	128.3 Å²	128.3	72%	0.715	68%	0.68	S	S	*	*			trans	-70.6	111	176.1	-179.9	0	0	0	0	109.3	F344 G348	F344-V346 PolarHBondContact O-N 3.3Å; V346-G348 VanDerWaalsContact C-N 3.33Å
347	T	69.9	Low	63.9	Low	146 Å²	146	134 Å²	134	90%	0.896	70%	0.702	S	S	*	*			trans	-90.7	10.2	-179.3	55.3	0	0	0	0	113.9	K345	K345-T347 PolarHBondContact O-N 3.01Å
348	G	62.3	Low	63.1	Low	53 Å²	53	132 Å²	132	55%	0.546	70%	0.704	S	S	.	*			trans	112.7	169.3	-177.2	0	0	0	0	0	113.1	V346	V346-G348 VanDerWaalsContact C-N 3.33Å
349	S	62.9	Low	62	Low	86 Å²	86	138.6 Å²	138.6	60%	0.601	72%	0.722	S	S	*	*			trans	-101.5	130.4	176	47.4	0	0	0	0	110.3	T351	S349-T351 PolarHBondContact O-N 2.94Å; S349-T351 VanDerWaalsContact O-N 3.08Å
350	I	58.6	Low	60.3	Low	176 Å²	176	140.1 Å²	140.1	90%	0.903	75%	0.746	S	S	*	*			trans	-69.8	105.3	169.4	-59.7	172.3	0	0	0	106.9
351	T	56.2	Low	58.6	Low	116 Å²	116	144.1 Å²	144.1	71%	0.712	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-80	126.3	171	46.3	0	0	0	0	108.8	S349	S349-T351 PolarHBondContact O-N 2.94Å; S349-T351 VanDerWaalsContact O-N 3.08Å
352	S	54.3	Low	56.5	Low	113 Å²	113	143.3 Å²	143.3	79%	0.79	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-64.6	139.1	173.2	46.6	0	0	0	0	109.6	K354	S352-K354 PolarHBondContact O-N 3.46Å
353	A	58.2	Low	55	Low	97 Å²	97	145.9 Å²	145.9	80%	0.802	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-52.6	131.6	179.3	0	0	0	0	0	110.2	R355	A353-R355 PolarHBondContact O-N 3.22Å
354	K	53.4	Low	53.3	Low	209 Å²	209	143.2 Å²	143.2	91%	0.909	80%	0.801	S	S	*	*			trans	-44.5	113.1	-179.5	-149.9	176.3	-172.1	-179.6	0	108.9	S352 K356	S352-K354 PolarHBondContact O-N 3.46Å; K354-K356 PolarHBondContact O-N 3.06Å
355	R	54.6	Low	51.4	Low	243 Å²	243	146.3 Å²	146.3	92%	0.917	81%	0.814	S	S	*	*			trans	-54.4	115.9	177.1	-123.4	178.4	-176.1	170.3	0.9	106.9	A353 E357	A353-R355 PolarHBondContact O-N 3.22Å; R355-E357 PolarHBondContact O-N 3.1Å
356	K	50.3	Low	49.6	Very low	200 Å²	200	147.2 Å²	147.2	87%	0.87	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-55	127.4	172	-81.7	-176.1	174.6	-177.4	0	107.5	K354	K354-K356 PolarHBondContact O-N 3.06Å
357	E	47.2	Very low	47.6	Very low	176 Å²	176	151.3 Å²	151.3	82%	0.822	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-52.7	136.7	169.6	-73.4	-179.3	159.9	0	0	108.4	R355 E359	R355-E357 PolarHBondContact O-N 3.1Å; E357-E359 PolarHBondContact O-N 3.21Å; E357-E359 VanDerWaalsContact O-N 3.12Å
358	P	44.3	Very low	46.1	Very low	123 Å²	123	149 Å²	149	80%	0.799	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-61.8	121.1	176.1	24.8	-30	0	0	0	108.1	S360	P358-S360 PolarHBondContact O-N 3.36Å
359	E	39.7	Very low	44.6	Very low	184 Å²	184	156.4 Å²	156.4	86%	0.86	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-48.4	127	171	-73.7	-179.6	165.5	0	0	109	E357 K361	E357-E359 PolarHBondContact O-N 3.21Å; E357-E359 VanDerWaalsContact O-N 3.12Å; E359-K361 PolarHBondContact O-N 2.98Å
360	S	39.6	Very low	43.1	Very low	122 Å²	122	158.7 Å²	158.7	85%	0.853	85%	0.849	S	S	*	*			trans	-60.9	104.6	175.4	54.6	0	0	0	0	108.7	P358 G362	P358-S360 PolarHBondContact O-N 3.36Å; S360-G362 PolarHBondContact O-N 3.17Å; S360-G362 VanDerWaalsContact O-N 3.14Å
361	K	37.7	Very low	41.7	Very low	207 Å²	207	157.4 Å²	157.4	90%	0.9	84%	0.844	S	S	*	*			trans	-60.4	121.1	170.1	-82.6	-173.3	175.9	179.9	0	108.1	E359	E359-K361 PolarHBondContact O-N 2.98Å
362	G	33.3	Very low	40.8	Very low	67 Å²	67	159 Å²	159	69%	0.691	85%	0.849	S	S	*	*			trans	-49.2	152.8	179	0	0	0	0	0	113.9	S360 A364	S360-G362 PolarHBondContact O-N 3.17Å; S360-G362 VanDerWaalsContact O-N 3.14Å; G362-A364 PolarHBondContact O-N 2.83Å
363	S	40.4	Very low	39.8	Very low	131 Å²	131	160 Å²	160	92%	0.916	85%	0.85	S	S	*	*			trans	-43.3	101.2	178	38.4	0	0	0	0	114.3
364	A	36.1	Very low	38.5	Very low	100 Å²	100	160.5 Å²	160.5	83%	0.826	85%	0.854	S	S	*	*			trans	-91.3	115.5	161.6	0	0	0	0	0	109.8	G362 K366	G362-A364 PolarHBondContact O-N 2.83Å; A364-K366 PolarHBondContact O-N 3.3Å
365	K	35.4	Very low	37.6	Very low	205 Å²	205	155 Å²	155	89%	0.891	85%	0.847	S	S	*	*			trans	-39.4	124.5	177	-76.5	169.6	170.5	172	0	113.5	K367	K365-K367 PolarHBondContact O-N 3.45Å; K365-K367 VanDerWaalsContact O-N 3.11Å
366	K	33.4	Very low	36.5	Very low	220 Å²	220	147.1 Å²	147.1	96%	0.957	84%	0.842	S	S	*	*			trans	-56.2	109	161.3	-98.5	178.7	173.5	175.3	0	109.5	A364	A364-K366 PolarHBondContact O-N 3.3Å
367	K	32	Very low	35.8	Very low	203 Å²	203	147 Å²	147	88%	0.883	84%	0.841	S	S	*	*			trans	-88.7	116.4	154.3	-98.2	-178.4	175.1	177.1	0	107.5	K365	K365-K367 PolarHBondContact O-N 3.45Å; K365-K367 VanDerWaalsContact O-N 3.11Å
368	A	38.3	Very low	35	Very low	99 Å²	99	148.7 Å²	148.7	82%	0.818	85%	0.846	S	S	*	*			trans	-62.8	130.2	170.4	0	0	0	0	0	110.1
369	K	31	Very low	34.6	Very low	207 Å²	207	152.7 Å²	152.7	90%	0.9	85%	0.851	S	S	*	*			trans	-145.6	118.7	154.6	-101	-174.5	179.1	-176.5	0	109.3
370	T	31.8	Very low	34.3	Very low	134 Å²	134	153.9 Å²	153.9	82%	0.822	85%	0.853	S	S	*	*			trans	-51.1	139.9	170.5	39.7	0	0	0	0	113.5
371	N	29.3	Very low	34.1	Very low	149 Å²	149	151.9 Å²	151.9	80%	0.797	85%	0.852	S	S	*	*			trans	-143.6	107.9	154.9	-96.1	-15.9	0	0	0	107.1
372	N	37.1	Very low	33.9	Very low	149 Å²	149	157.4 Å²	157.4	80%	0.797	87%	0.867	S	S	*	*				80.5	111.9	90	-106.2	-0.4	0	0	0	112.5
373	V	32.3	Very low	34	Very low	136 Å²	136	161.9 Å²	161.9	82%	0.824	88%	0.876	S	S	*	*			trans	-144.7	101.9	156.2	-171.1	0	0	0	0	109.6	A375	V373-A375 HydrophobicContact CG1-CB 4.38Å
374	A	31.5	Very low	33.6	Very low	107 Å²	107	163.5 Å²	163.5	88%	0.884	87%	0.873	S	S	*	*			trans	-90.7	111.2	154.5	0	0	0	0	0	107.1
375	A	34.8	Very low	33.5	Very low	93 Å²	93	167.1 Å²	167.1	77%	0.769	88%	0.876	S	S	*	*			trans	-94	125	176.8	0	0	0	0	0	110.1	V373	V373-A375 HydrophobicContact CG1-CB 4.38Å
376	G	31.7	Very low	33.4	Very low	77 Å²	77	164.8 Å²	164.8	79%	0.794	88%	0.875	S	S	*	*			trans	-79.9	118.8	177.6	0	0	0	0	0	112.9
377	K	34.9	Very low	33.4	Very low	198 Å²	198	161.4 Å²	161.4	86%	0.861	87%	0.87	S	S	*	*			trans	57	122.6	147.6	-70.3	-177	176.9	177	0	119.7
378	F	30.4	Very low	33.5	Very low	212 Å²	212	158.6 Å²	158.6	93%	0.93	87%	0.869	S	S	*	*				-154.7	123.6	117.8	-110.1	-82.6	0	0	0	109.6
379	K	35.5	Very low	33.1	Very low	207 Å²	207	162.9 Å²	162.9	90%	0.9	87%	0.873	S	S	*	*			trans	-111.1	132.4	170.3	-125.3	-174.1	-177.5	-174	0	107.4
380	K	34.6	Very low	33.3	Very low	209 Å²	209	159.5 Å²	159.5	91%	0.909	87%	0.871	S	S	*	*			trans	-112.9	128.3	172.9	-124.6	-174	-177.2	-179.2	0	108
381	G	35.3	Very low	33.4	Very low	79 Å²	79	161.6 Å²	161.6	81%	0.814	88%	0.875	S	S	*	*			trans	70	139.2	164.3	0	0	0	0	0	115.1
382	R	33.7	Very low	33.8	Very low	323 Å²	323	162.7 Å²	162.7	100%	1.219	88%	0.882	S	S	*	*			cis	-150.7	0	12.9	-152	-177.9	-167.2	178.5	2.5	107.4

Retrieved 382 of 382 residues in 242.4 ms (Link to these results)

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