A0A3Q0KGI5_SCHMA Loading...

transketolase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KGI5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 623 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.8	Low	90.8	Very high	120 Å²	120	44 Å²	44	59%	0.591	23%	0.229	S	C	*	.				0	142.3	0	-170.8	-179.1	-65	0	0	107.8	Q5 V6 D9 S272 N273 Y279	M1-Q5 HydrophobicContact CG-CB 3.6Å; M1-Q5 HydrophobicContact CG-CG 3.59Å; M1-Q5 HydrophobicContact SD-CB 4.13Å; M1-Q5 HydrophobicContact SD-CG 3.77Å; M1-V6 HydrophobicContact CB-CG2 4.14Å; M1-V6 HydrophobicContact CG-CG2 3.94Å; M1-V6 HydrophobicContact SD-CB 4.27Å; M1-V6 HydrophobicContact SD-CG2 3.57Å; M1-V6 VanDerWaalsContact SD-CG2 3.57Å; M1-D9 WeakPolarHBondContact CE-OD2 3.41Å; M1-S272 WeakPolarHBondContact CE-OG 3.5Å; M1-N273 HydrophobicContact CE-CB 3.4Å; M1-Y279 HydrophobicContact SD-CE1 4.42Å
2	S	86.1	Confident	91.4	Very high	74 Å²	74	40.9 Å²	40.9	52%	0.517	21%	0.213	S	C	.	.			trans	-68.9	154.4	173.2	62.7	0	0	0	0	110.5	V4 Q5 V6	S2-V4 VanDerWaalsContact C-N 3.25Å; S2-V4 PolarHBondContact O-N 3Å; S2-Q5 PolarHBondContact O-N 3.11Å; S2-Q5 VanDerWaalsContact O-N 3.12Å; S2-Q5 WeakPolarHBondContact OG-CB 2.82Å; S2-Q5 PolarHBondContact OG-N 2.9Å; S2-V6 PolarHBondContact O-N 2.99Å
3	E	89.4	Confident	91.7	Very high	97 Å²	97	39.1 Å²	39.1	45%	0.453	20%	0.202	S	C	.	.	H	α-helix	trans	-55.9	-42	176.2	-179.8	175.3	-113.3	0	0	111.7	Q5 V6 L7 K46	E3-Q5 PolarHBondContact O-N 3.45Å; E3-V6 WeakPolarHBondContact O-CB 3.4Å; E3-V6 PolarHBondContact O-N 3.47Å; E3-L7 HydrophobicContact CG-CD1 4.21Å; E3-L7 WeakPolarHBondContact O-CG 3.32Å; E3-L7 PolarHBondContact O-N 2.83Å; E3-K46 WeakPolarHBondContact OE1-CE 3.49Å; E3-K46 IonicContact OE1-NZ 3.77Å; E3-K46 PolarHBondContact OE1-NZ 3.28Å; E3-K46 IonicContact OE2-NZ 3.53Å
4	V	94.1	Very high	92.1	Very high	29 Å²	29	36.4 Å²	36.4	18%	0.176	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-45.9	175.7	173.3	0	0	0	0	111.6	S2 V6 L7 K8 I213 E214 L217	S2-V4 VanDerWaalsContact C-N 3.25Å; S2-V4 PolarHBondContact O-N 3Å; V4-V6 VanDerWaalsContact C-N 3.33Å; V4-V6 PolarHBondContact O-N 3.45Å; V4-L7 PolarHBondContact O-N 2.68Å; V4-K8 HydrophobicContact CG1-CD 4.13Å; V4-K8 WeakPolarHBondContact O-CG 3.43Å; V4-K8 PolarHBondContact O-N 3.02Å; V4-I213 HydrophobicContact CB-CG2 4.42Å; V4-I213 HydrophobicContact CG1-CB 4.29Å; V4-I213 HydrophobicContact CG1-CG2 4.05Å; V4-I213 HydrophobicContact CG2-CG2 4.46Å; V4-E214 HydrophobicContact CG1-CG 4.22Å; V4-E214 WeakPolarHBondContact CG1-OE1 3.5Å; V4-E214 HydrophobicContact CG2-CG 3.86Å; V4-L217 HydrophobicContact CG2-CD1 4.34Å
5	Q	93.8	Very high	92.6	Very high	60 Å²	60	34.1 Å²	34.1	28%	0.28	18%	0.176	S	C	.	.	H	α-helix	trans	-68	-35.3	-179.3	-176.4	64.6	49.6	0	0	111.7	M1 S2 E3 L7 K8 D9 S272	M1-Q5 HydrophobicContact CG-CB 3.6Å; M1-Q5 HydrophobicContact CG-CG 3.59Å; M1-Q5 HydrophobicContact SD-CB 4.13Å; M1-Q5 HydrophobicContact SD-CG 3.77Å; S2-Q5 PolarHBondContact O-N 3.11Å; S2-Q5 VanDerWaalsContact O-N 3.12Å; S2-Q5 WeakPolarHBondContact OG-CB 2.82Å; S2-Q5 PolarHBondContact OG-N 2.9Å; E3-Q5 PolarHBondContact O-N 3.45Å; Q5-L7 VanDerWaalsContact C-N 3.33Å; Q5-L7 PolarHBondContact O-N 3.45Å; Q5-K8 PolarHBondContact O-N 3.36Å; Q5-D9 PolarHBondContact NE2-OD1 3.17Å; Q5-D9 PolarHBondContact O-N 3.33Å; Q5-S272 WeakPolarHBondContact CG-OG 3.38Å; Q5-S272 PolarHBondContact NE2-OG 3.32Å
6	V	92.6	Very high	92.9	Very high	23 Å²	23	32.3 Å²	32.3	14%	0.139	17%	0.167	C	C	.	.	H	α-helix	trans	-56.7	-48.5	171.4	161.1	0	0	0	0	110.8	M1 S2 E3 V4 K8 D9 V10 Y279	M1-V6 HydrophobicContact CB-CG2 4.14Å; M1-V6 HydrophobicContact CG-CG2 3.94Å; M1-V6 HydrophobicContact SD-CB 4.27Å; M1-V6 HydrophobicContact SD-CG2 3.57Å; M1-V6 VanDerWaalsContact SD-CG2 3.57Å; S2-V6 PolarHBondContact O-N 2.99Å; E3-V6 WeakPolarHBondContact O-CB 3.4Å; E3-V6 PolarHBondContact O-N 3.47Å; V4-V6 VanDerWaalsContact C-N 3.33Å; V4-V6 PolarHBondContact O-N 3.45Å; V6-K8 VanDerWaalsContact C-N 3.35Å; V6-K8 PolarHBondContact O-N 3.16Å; V6-D9 PolarHBondContact O-N 2.99Å; V6-V10 VanDerWaalsContact O-CG2 3.32Å; V6-V10 WeakPolarHBondContact O-CG2 3.41Å; V6-V10 PolarHBondContact O-N 2.7Å; V6-Y279 HydrophobicContact CB-CD1 3.98Å; V6-Y279 HydrophobicContact CB-CE1 4.07Å; V6-Y279 HydrophobicContact CG1-CD1 3.22Å; V6-Y279 HydrophobicContact CG1-CE1 3.73Å; V6-Y279 HydrophobicContact CG1-CG 3.99Å; V6-Y279 HydrophobicContact CG2-CD1 3.79Å; V6-Y279 HydrophobicContact CG2-CE1 3.87Å
7	L	94.7	Very high	93.2	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-33.7	-178.8	-66.2	167.8	0	0	0	112.3	E3 V4 Q5 V10 A11 S41 V42 L45 I213 L217	E3-L7 HydrophobicContact CG-CD1 4.21Å; E3-L7 WeakPolarHBondContact O-CG 3.32Å; E3-L7 PolarHBondContact O-N 2.83Å; V4-L7 PolarHBondContact O-N 2.68Å; Q5-L7 VanDerWaalsContact C-N 3.33Å; Q5-L7 PolarHBondContact O-N 3.45Å; L7-V10 PolarHBondContact O-N 2.88Å; L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.38Å; L7-S41 WeakPolarHBondContact CA-OG 3.41Å; L7-S41 PolarHBondContact O-OG 3.38Å; L7-V42 HydrophobicContact CD1-CG2 4.3Å; L7-L45 HydrophobicContact CD2-CB 3.87Å; L7-L45 HydrophobicContact CD2-CD2 4.32Å; L7-I213 HydrophobicContact CB-CD1 4.08Å; L7-I213 HydrophobicContact CB-CG1 4.47Å; L7-I213 HydrophobicContact CB-CG2 3.86Å; L7-I213 HydrophobicContact CD1-CG2 3.8Å; L7-L217 HydrophobicContact CD1-CD1 4.07Å; L7-L217 HydrophobicContact CD1-CD2 3.99Å; L7-L217 HydrophobicContact CD1-CG 4.33Å
8	K	95.7	Very high	93.5	Very high	76 Å²	76	29.1 Å²	29.1	33%	0.33	15%	0.15	S	C	.	.	H	α-helix	trans	-64.9	-45.5	172.3	-72.6	176.6	-179.7	170.2	0	112	V4 Q5 V6 V10 A11 T12 I213 E214	V4-K8 HydrophobicContact CG1-CD 4.13Å; V4-K8 WeakPolarHBondContact O-CG 3.43Å; V4-K8 PolarHBondContact O-N 3.02Å; Q5-K8 PolarHBondContact O-N 3.36Å; V6-K8 VanDerWaalsContact C-N 3.35Å; V6-K8 PolarHBondContact O-N 3.16Å; K8-V10 VanDerWaalsContact C-N 3.3Å; K8-V10 PolarHBondContact O-N 3.02Å; K8-A11 PolarHBondContact O-N 3.17Å; K8-T12 PolarHBondContact O-N 3.16Å; K8-T12 PolarHBondContact O-OG1 2.94Å; K8-I213 HydrophobicContact CG-CG1 3.89Å; K8-E214 IonicContact NZ-OE1 3.47Å; K8-E214 IonicContact NZ-OE2 2.77Å
9	D	94.8	Very high	93.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-41.8	175.8	-78.9	11.5	0	0	0	110.8	M1 Q5 V6 T12 R13 L271 S272 N273	M1-D9 WeakPolarHBondContact CE-OD2 3.41Å; Q5-D9 PolarHBondContact NE2-OD1 3.17Å; Q5-D9 PolarHBondContact O-N 3.33Å; V6-D9 PolarHBondContact O-N 2.99Å; D9-T12 WeakPolarHBondContact O-CB 3.49Å; D9-T12 PolarHBondContact O-N 3.01Å; D9-R13 WeakPolarHBondContact O-CG 3.3Å; D9-R13 PolarHBondContact O-N 3.27Å; D9-L271 HydrophobicContact CB-CD2 4.15Å; D9-L271 WeakPolarHBondContact O-CD2 3.34Å; D9-S272 VanDerWaalsContact CG-OG 3.27Å; D9-S272 PolarHBondContact OD1-N 3.34Å; D9-S272 VanDerWaalsContact OD1-N 3.13Å; D9-S272 PolarHBondContact OD1-OG 2.99Å; D9-S272 VanDerWaalsContact OD1-OG 3.09Å; D9-S272 PolarHBondContact OD2-N 3.33Å; D9-S272 PolarHBondContact OD2-OG 3.09Å; D9-N273 PolarHBondContact OD2-N 3.47Å
10	V	94.9	Very high	94	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-46.2	177.3	168.1	0	0	0	0	111.3	V6 L7 K8 T12 R13 L14 S41 L45 Q80 Y279	V6-V10 VanDerWaalsContact O-CG2 3.32Å; V6-V10 WeakPolarHBondContact O-CG2 3.41Å; V6-V10 PolarHBondContact O-N 2.7Å; L7-V10 PolarHBondContact O-N 2.88Å; K8-V10 VanDerWaalsContact C-N 3.3Å; K8-V10 PolarHBondContact O-N 3.02Å; V10-T12 PolarHBondContact O-N 3.4Å; V10-R13 WeakPolarHBondContact O-CB 3.46Å; V10-R13 PolarHBondContact O-N 2.99Å; V10-L14 HydrophobicContact CG1-CD1 4.4Å; V10-L14 HydrophobicContact CG1-CG 4.31Å; V10-L14 VanDerWaalsContact O-CG 3.32Å; V10-L14 WeakPolarHBondContact O-CG 3.44Å; V10-L14 PolarHBondContact O-N 3.38Å; V10-S41 WeakPolarHBondContact CG1-OG 3.47Å; V10-L45 HydrophobicContact CB-CD2 4.14Å; V10-L45 HydrophobicContact CG1-CD1 3.94Å; V10-L45 HydrophobicContact CG1-CD2 3.94Å; V10-L45 HydrophobicContact CG2-CD2 3.6Å; V10-Q80 HydrophobicContact CG1-CG 3.92Å; V10-Y279 HydrophobicContact CG2-CD2 4.11Å; V10-Y279 HydrophobicContact CG2-CE2 4.16Å; V10-Y279 HydrophobicContact CG2-CG 4.37Å
11	A	97.2	Very high	94.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55	-44	174.5	0	0	0	0	0	111.5	L7 K8 R13 L14 R15 A37 E38	L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.38Å; K8-A11 PolarHBondContact O-N 3.17Å; A11-R13 PolarHBondContact O-N 2.85Å; A11-L14 WeakPolarHBondContact O-CB 3.37Å; A11-L14 PolarHBondContact O-N 2.66Å; A11-R15 PolarHBondContact O-N 2.91Å; A11-A37 HydrophobicContact CB-CB 4.01Å; A11-A37 WeakPolarHBondContact CB-O 3.39Å; A11-A37 WeakPolarHBondContact O-CB 3.49Å; A11-E38 HydrophobicContact CB-CG 4.2Å
12	T	97.5	Very high	95.8	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-42.6	175.9	-55	0	0	0	0	111.9	K8 D9 V10 R15 I16 L267 Q270 L271	K8-T12 PolarHBondContact O-N 3.16Å; K8-T12 PolarHBondContact O-OG1 2.94Å; D9-T12 WeakPolarHBondContact O-CB 3.49Å; D9-T12 PolarHBondContact O-N 3.01Å; V10-T12 PolarHBondContact O-N 3.4Å; T12-R15 WeakPolarHBondContact O-CB 3.25Å; T12-R15 PolarHBondContact O-N 3.16Å; T12-I16 HydrophobicContact CG2-CD1 4.15Å; T12-I16 WeakPolarHBondContact O-CG1 3.48Å; T12-I16 PolarHBondContact O-N 3.11Å; T12-L267 HydrophobicContact CG2-CB 4.02Å; T12-L267 HydrophobicContact CG2-CD2 4.19Å; T12-L267 WeakPolarHBondContact CG2-O 3.48Å; T12-Q270 HydrophobicContact CG2-CB 4.28Å; T12-L271 HydrophobicContact CG2-CD2 3.78Å; T12-L271 HydrophobicContact CG2-CG 4.05Å
13	R	95.9	Very high	96.4	Very high	17 Å²	17	22.7 Å²	22.7	6%	0.064	11%	0.108	C	C	.	.	H	α-helix	trans	-64.1	-41.2	174.7	-71.1	174.7	-173.7	-83.7	-0.1	112.6	D9 V10 A11 R15 I16 N17 Q80 L271 N273 T274 S275 V276	D9-R13 WeakPolarHBondContact O-CG 3.3Å; D9-R13 PolarHBondContact O-N 3.27Å; V10-R13 WeakPolarHBondContact O-CB 3.46Å; V10-R13 PolarHBondContact O-N 2.99Å; A11-R13 PolarHBondContact O-N 2.85Å; R13-R15 VanDerWaalsContact C-N 3.26Å; R13-R15 PolarHBondContact O-N 3.37Å; R13-I16 PolarHBondContact O-N 3.48Å; R13-N17 VanDerWaalsContact O-CB 3.31Å; R13-N17 WeakPolarHBondContact O-CB 3.37Å; R13-N17 PolarHBondContact O-N 3.39Å; R13-Q80 VanDerWaalsContact CD-OE1 3.28Å; R13-L271 HydrophobicContact CG-CD2 3.94Å; R13-N273 PolarHBondContact NH2-O 3.13Å; R13-T274 PolarHBondContact NH1-O 3.04Å; R13-T274 VanDerWaalsContact NH2-CA 3.33Å; R13-T274 PolarHBondContact NH2-O 2.75Å; R13-S275 PolarHBondContact NH2-O 2.9Å; R13-V276 VanDerWaalsContact NH1-CG2 3.3Å
14	L	97.7	Very high	96.8	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-59	-40.2	175.8	-65.6	-176.9	0	0	0	111.1	V10 A11 S18 M40 I73 A76 A77 Q80	V10-L14 HydrophobicContact CG1-CD1 4.4Å; V10-L14 HydrophobicContact CG1-CG 4.31Å; V10-L14 VanDerWaalsContact O-CG 3.32Å; V10-L14 WeakPolarHBondContact O-CG 3.44Å; V10-L14 PolarHBondContact O-N 3.38Å; A11-L14 WeakPolarHBondContact O-CB 3.37Å; A11-L14 PolarHBondContact O-N 2.66Å; L14-S18 VanDerWaalsContact O-CB 3.31Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 3.25Å; L14-S18 PolarHBondContact O-OG 3.45Å; L14-M40 HydrophobicContact CD1-CB 3.83Å; L14-I73 HydrophobicContact CB-CD1 4.03Å; L14-I73 HydrophobicContact CB-CG1 3.98Å; L14-I73 HydrophobicContact CD1-CD1 4.48Å; L14-I73 HydrophobicContact CD1-CG1 4.31Å; L14-A76 VanDerWaalsContact CD2-C 3.41Å; L14-A76 HydrophobicContact CD2-CB 3.76Å; L14-A76 WeakPolarHBondContact CD2-O 3.15Å; L14-A77 HydrophobicContact CD2-CB 4.16Å; L14-Q80 HydrophobicContact CD2-CB 4.24Å
15	R	98.5	Very high	96.9	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-61.8	-53	171.5	-69.8	-176	176.5	94.7	17.1	111.9	A11 T12 R13 N17 S18 V19 A34 A37 E38 Q240 D241 F242 L267	A11-R15 PolarHBondContact O-N 2.91Å; T12-R15 WeakPolarHBondContact O-CB 3.25Å; T12-R15 PolarHBondContact O-N 3.16Å; R13-R15 VanDerWaalsContact C-N 3.26Å; R13-R15 PolarHBondContact O-N 3.37Å; R15-N17 VanDerWaalsContact C-N 3.3Å; R15-N17 PolarHBondContact O-N 3.02Å; R15-S18 PolarHBondContact O-N 3.35Å; R15-V19 WeakPolarHBondContact O-CG2 3.48Å; R15-V19 PolarHBondContact O-N 3.45Å; R15-A34 HydrophobicContact CG-CB 4.25Å; R15-A34 PolarHBondContact NE-O 3.36Å; R15-A34 PolarHBondContact NH2-O 3.36Å; R15-A37 HydrophobicContact CG-CB 3.78Å; R15-E38 IonicContact CZ-OE1 4Å; R15-E38 IonicContact CZ-OE2 3.56Å; R15-E38 IonicContact NH1-OE1 2.83Å; R15-E38 PolarHBondContact NH1-OE1 2.87Å; R15-E38 IonicContact NH2-OE1 2.77Å; R15-E38 PolarHBondContact NH2-OE1 2.71Å; R15-E38 IonicContact NH2-OE2 2.84Å; R15-E38 PolarHBondContact NH2-OE2 3.37Å; R15-Q240 PolarHBondContact NE-O 2.78Å; R15-D241 IonicContact CZ-OD2 3.71Å; R15-D241 IonicContact NE-OD2 2.93Å; R15-D241 IonicContact NH1-OD2 3.38Å; R15-D241 PolarHBondContact NH1-OD2 3.2Å; R15-D241 IonicContact NH2-OD2 2.71Å; R15-F242 HydrophobicContact CB-CE1 4.21Å; R15-F242 HydrophobicContact CG-CE1 4.45Å; R15-L267 HydrophobicContact CB-CD1 3.85Å; R15-L267 HydrophobicContact CB-CD2 4.17Å
16	I	98.1	Very high	97.1	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-53.9	-49.2	179.7	-71.8	165.7	0	0	0	110.6	T12 R13 V19 K20 L264 L267 L271	T12-I16 HydrophobicContact CG2-CD1 4.15Å; T12-I16 WeakPolarHBondContact O-CG1 3.48Å; T12-I16 PolarHBondContact O-N 3.11Å; R13-I16 PolarHBondContact O-N 3.48Å; I16-V19 PolarHBondContact O-N 3.27Å; I16-K20 HydrophobicContact CG2-CD 4.01Å; I16-K20 WeakPolarHBondContact O-CG 3.38Å; I16-K20 PolarHBondContact O-N 3.06Å; I16-L264 HydrophobicContact CB-CD2 4.34Å; I16-L264 HydrophobicContact CG1-CD2 4.39Å; I16-L264 HydrophobicContact CG2-CD2 3.94Å; I16-L267 HydrophobicContact CD1-CB 3.91Å; I16-L267 HydrophobicContact CG1-CB 3.57Å; I16-L267 HydrophobicContact CG1-CD1 3.88Å; I16-L267 HydrophobicContact CG1-CG 4.36Å; I16-L271 HydrophobicContact CD1-CD1 3.89Å; I16-L271 HydrophobicContact CD1-CG 4.46Å
17	N	98	Very high	97.3	Very high	7 Å²	7	20.9 Å²	20.9	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-67.8	-37	-177.9	-76.7	-14.4	0	0	0	111.9	R13 R15 K20 A21 A76 E86 L89	R13-N17 VanDerWaalsContact O-CB 3.31Å; R13-N17 WeakPolarHBondContact O-CB 3.37Å; R13-N17 PolarHBondContact O-N 3.39Å; R15-N17 VanDerWaalsContact C-N 3.3Å; R15-N17 PolarHBondContact O-N 3.02Å; N17-K20 PolarHBondContact O-N 3.13Å; N17-A21 VanDerWaalsContact O-CB 3.24Å; N17-A21 WeakPolarHBondContact O-CB 3.49Å; N17-A21 PolarHBondContact O-N 3.12Å; N17-A76 HydrophobicContact CB-CB 3.87Å; N17-E86 PolarHBondContact ND2-OE1 2.85Å; N17-E86 VanDerWaalsContact ND2-OE1 3.14Å; N17-L89 HydrophobicContact CB-CD1 3.71Å
18	S	98.5	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.5	-41.5	172.7	-59.9	0	0	0	0	112.2	L14 R15 T22	L14-S18 VanDerWaalsContact O-CB 3.31Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 3.25Å; L14-S18 PolarHBondContact O-OG 3.45Å; R15-S18 PolarHBondContact O-N 3.35Å; S18-T22 WeakPolarHBondContact O-CB 3.39Å; S18-T22 VanDerWaalsContact O-CG2 3.3Å; S18-T22 WeakPolarHBondContact O-CG2 3.21Å; S18-T22 PolarHBondContact O-N 3.49Å; S18-T22 VanDerWaalsContact O-N 3.1Å; S18-T22 PolarHBondContact O-OG1 2.83Å
19	V	98.7	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.2	-53.7	174.4	173.6	0	0	0	0	109.7	R15 I16 A21 T22 E23 P30 F242 L256 A260 V263 L264	R15-V19 WeakPolarHBondContact O-CG2 3.48Å; R15-V19 PolarHBondContact O-N 3.45Å; I16-V19 PolarHBondContact O-N 3.27Å; V19-A21 VanDerWaalsContact C-N 3.34Å; V19-A21 PolarHBondContact O-N 2.86Å; V19-T22 PolarHBondContact O-N 3.33Å; V19-T22 PolarHBondContact O-OG1 2.79Å; V19-T22 VanDerWaalsContact O-OG1 3.1Å; V19-E23 HydrophobicContact CG1-CG 4.11Å; V19-E23 WeakPolarHBondContact O-CG 3.4Å; V19-E23 PolarHBondContact O-N 3.04Å; V19-P30 HydrophobicContact CG2-CB 4.26Å; V19-F242 HydrophobicContact CG2-CE1 3.96Å; V19-F242 HydrophobicContact CG2-CE2 4.11Å; V19-F242 HydrophobicContact CG2-CZ 3.43Å; V19-F242 VanDerWaalsContact CG2-CZ 3.43Å; V19-L256 HydrophobicContact CG1-CD1 3.95Å; V19-L256 HydrophobicContact CG2-CD1 3.78Å; V19-A260 HydrophobicContact CG1-CB 4.29Å; V19-V263 HydrophobicContact CG2-CG1 4.44Å; V19-L264 HydrophobicContact CB-CD2 4.09Å; V19-L264 HydrophobicContact CG1-CD1 4.22Å; V19-L264 HydrophobicContact CG1-CD2 3.95Å; V19-L264 HydrophobicContact CG1-CG 3.94Å
20	K	98.5	Very high	97.6	Very high	87 Å²	87	18 Å²	18	38%	0.378	12%	0.116	S	C	.	.	H	α-helix	trans	-55.4	-45.7	179.4	-72.5	175.3	179.4	174.3	0	112.9	I16 N17 A24 L90 L264	I16-K20 HydrophobicContact CG2-CD 4.01Å; I16-K20 WeakPolarHBondContact O-CG 3.38Å; I16-K20 PolarHBondContact O-N 3.06Å; N17-K20 PolarHBondContact O-N 3.13Å; K20-A24 WeakPolarHBondContact O-CB 3.5Å; K20-A24 PolarHBondContact O-N 2.85Å; K20-L90 HydrophobicContact CB-CD2 4.12Å; K20-L264 HydrophobicContact CG-CD2 4.3Å
21	A	98.5	Very high	97.8	Very high	3 Å²	3	18.1 Å²	18.1	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-62	-45.4	179.5	0	0	0	0	0	112	N17 V19 A24 A25 L89 L92	N17-A21 VanDerWaalsContact O-CB 3.24Å; N17-A21 WeakPolarHBondContact O-CB 3.49Å; N17-A21 PolarHBondContact O-N 3.12Å; V19-A21 VanDerWaalsContact C-N 3.34Å; V19-A21 PolarHBondContact O-N 2.86Å; A21-A24 PolarHBondContact O-N 2.93Å; A21-A25 WeakPolarHBondContact O-CB 3.2Å; A21-A25 PolarHBondContact O-N 3.11Å; A21-L89 HydrophobicContact CB-CB 4.22Å; A21-L89 VanDerWaalsContact CB-O 3.24Å; A21-L89 WeakPolarHBondContact CB-O 3.29Å; A21-L92 HydrophobicContact CB-CB 4.28Å; A21-L92 HydrophobicContact CB-CD2 3.98Å
22	T	98.4	Very high	97.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-74.7	-32.9	-178.2	56.4	0	0	0	0	113.3	S18 V19 A25 G26 S27 P30 P72 L92	S18-T22 WeakPolarHBondContact O-CB 3.39Å; S18-T22 VanDerWaalsContact O-CG2 3.3Å; S18-T22 WeakPolarHBondContact O-CG2 3.21Å; S18-T22 PolarHBondContact O-N 3.49Å; S18-T22 VanDerWaalsContact O-N 3.1Å; S18-T22 PolarHBondContact O-OG1 2.83Å; V19-T22 PolarHBondContact O-N 3.33Å; V19-T22 PolarHBondContact O-OG1 2.79Å; V19-T22 VanDerWaalsContact O-OG1 3.1Å; T22-A25 PolarHBondContact O-N 3.46Å; T22-G26 PolarHBondContact O-N 3.47Å; T22-G26 VanDerWaalsContact O-N 3.08Å; T22-S27 PolarHBondContact O-N 3.16Å; T22-P30 HydrophobicContact CG2-CB 4.47Å; T22-P30 WeakPolarHBondContact OG1-CB 3.41Å; T22-P72 HydrophobicContact CG2-CB 4.29Å; T22-P72 HydrophobicContact CG2-CG 3.9Å; T22-L92 HydrophobicContact CG2-CD2 3.92Å
23	E	98.4	Very high	97.9	Very high	57 Å²	57	17.8 Å²	17.8	27%	0.266	11%	0.114	S	C	.	.	H	α-helix	trans	-63	-46.7	169	-69.2	-54.1	133.7	0	0	111	V19 A25 G26 P255 L256 G257 A260	V19-E23 HydrophobicContact CG1-CG 4.11Å; V19-E23 WeakPolarHBondContact O-CG 3.4Å; V19-E23 PolarHBondContact O-N 3.04Å; E23-A25 VanDerWaalsContact C-N 3.28Å; E23-A25 PolarHBondContact O-N 2.87Å; E23-G26 PolarHBondContact O-N 3.34Å; E23-P255 VanDerWaalsContact OE1-CB 3.29Å; E23-P255 WeakPolarHBondContact OE1-CB 3.27Å; E23-L256 WeakPolarHBondContact OE1-CA 3.23Å; E23-L256 WeakPolarHBondContact OE1-CB 3.45Å; E23-L256 PolarHBondContact OE1-N 3.02Å; E23-G257 PolarHBondContact OE1-N 3.34Å; E23-G257 PolarHBondContact OE2-N 2.87Å; E23-A260 HydrophobicContact CG-CB 3.77Å
24	A	97.9	Very high	98	Very high	53 Å²	53	17 Å²	17	44%	0.438	11%	0.111	S	C	.	.	H	α-helix	trans	-62.4	-34.8	178.6	0	0	0	0	0	112.8	K20 A21 G26 L90	K20-A24 WeakPolarHBondContact O-CB 3.5Å; K20-A24 PolarHBondContact O-N 2.85Å; A21-A24 PolarHBondContact O-N 2.93Å; A24-G26 VanDerWaalsContact C-N 3.34Å; A24-L90 HydrophobicContact CB-CB 4.19Å; A24-L90 HydrophobicContact CB-CD2 3.98Å
25	A	97.5	Very high	98	Very high	28 Å²	28	16.9 Å²	16.9	23%	0.231	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.8	175.8	0	0	0	0	0	114	A21 T22 E23 S27 L92 R93	A21-A25 WeakPolarHBondContact O-CB 3.2Å; A21-A25 PolarHBondContact O-N 3.11Å; T22-A25 PolarHBondContact O-N 3.46Å; E23-A25 VanDerWaalsContact C-N 3.28Å; E23-A25 PolarHBondContact O-N 2.87Å; A25-S27 PolarHBondContact O-N 2.9Å; A25-S27 VanDerWaalsContact O-N 3.09Å; A25-S27 PolarHBondContact O-OG 3.35Å; A25-L92 HydrophobicContact CB-CB 4.23Å; A25-L92 HydrophobicContact CB-CD2 4.04Å; A25-L92 HydrophobicContact CB-CG 4.18Å; A25-L92 WeakPolarHBondContact CB-O 3.27Å; A25-R93 HydrophobicContact CB-CB 4.33Å
26	G	97	Very high	98	Very high	53 Å²	53	16.8 Å²	16.8	55%	0.546	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	10.7	-172.2	0	0	0	0	0	114.7	T22 E23 A24	T22-G26 PolarHBondContact O-N 3.47Å; T22-G26 VanDerWaalsContact O-N 3.08Å; E23-G26 PolarHBondContact O-N 3.34Å; A24-G26 VanDerWaalsContact C-N 3.34Å
27	S	96.6	Very high	98.1	Very high	37 Å²	37	16.5 Å²	16.5	26%	0.259	11%	0.109	S	C	.	.			trans	-161.8	154.8	-175.7	67	0	0	0	0	110.5	T22 A25 R93	T22-S27 PolarHBondContact O-N 3.16Å; A25-S27 PolarHBondContact O-N 2.9Å; A25-S27 VanDerWaalsContact O-N 3.09Å; A25-S27 PolarHBondContact O-OG 3.35Å; S27-R93 VanDerWaalsContact CB-NH1 3.31Å; S27-R93 VanDerWaalsContact OG-CD 3.27Å; S27-R93 WeakPolarHBondContact OG-CD 3.25Å; S27-R93 PolarHBondContact OG-NH1 3.03Å
28	G	96.3	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.11	C	C	.	.			trans	141.7	-170.7	176.4	0	0	0	0	0	113.8	P30 G253 K254	G28-P30 VanDerWaalsContact C-CD 3.44Å; G28-P30 WeakPolarHBondContact O-CD 3.25Å; G28-G253 CarbonylContact O-C 3.57Å; G28-G253 VanDerWaalsContact O-CA 3.31Å; G28-G253 WeakPolarHBondContact O-CA 3.43Å; G28-K254 CarbonylContact O-C 3.59Å; G28-K254 PolarHBondContact O-N 3.28Å
29	H	97.6	Very high	98.1	Very high	21 Å²	21	16.8 Å²	16.8	10%	0.097	11%	0.11	C	C	.	.			trans	-125.8	60.9	-172.1	-56	-108.4	0	0	0	112	T31 S32 C33 H69 H252 G253	H29-T31 PolarHBondContact O-N 3.5Å; H29-S32 PolarHBondContact O-N 3.29Å; H29-C33 PolarHBondContact O-N 3.33Å; H29-C33 PolarHBondContact O-SG 3.11Å; H29-H69 PolarHBondContact CD2-O 3.29Å; H29-H69 AromaticContact CG-CD2 3.61Å; H29-H69 AromaticContact ND1-CD2 3.46Å; H29-H69 PolarHBondContact ND1-CD2 2.87Å; H29-H69 AromaticContact ND1-CG 3.98Å; H29-H252 AromaticContact CE1-CD2 3.95Å; H29-H252 AromaticContact CE1-CE1 3.74Å; H29-H252 AromaticContact CE1-NE2 3.35Å; H29-H252 PolarHBondContact CE1-NE2 2.92Å; H29-H252 AromaticContact ND1-CD2 3.99Å; H29-H252 AromaticContact ND1-CE1 3.39Å; H29-H252 PolarHBondContact ND1-CE1 3.05Å; H29-H252 AromaticContact ND1-ND1 3.8Å; H29-H252 AromaticContact ND1-NE2 3.47Å; H29-H252 PolarHBondContact ND1-NE2 3.24Å; H29-G253 VanDerWaalsContact CE1-CA 3.43Å; H29-G253 WeakPolarHBondContact CE1-CA 3.44Å; H29-G253 WeakPolarHBondContact ND1-CA 3.46Å; H29-G253 PolarHBondContact ND1-N 3.31Å
30	P	98.1	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-30.6	-177.7	26.5	-33.9	0	0	0	112.4	V19 T22 G28 C33 A34 F242 K254 L256	V19-P30 HydrophobicContact CG2-CB 4.26Å; T22-P30 HydrophobicContact CG2-CB 4.47Å; T22-P30 WeakPolarHBondContact OG1-CB 3.41Å; G28-P30 VanDerWaalsContact C-CD 3.44Å; G28-P30 WeakPolarHBondContact O-CD 3.25Å; P30-C33 WeakPolarHBondContact O-CB 3.37Å; P30-C33 PolarHBondContact O-N 3.47Å; P30-A34 WeakPolarHBondContact O-CB 3.43Å; P30-A34 PolarHBondContact O-N 2.96Å; P30-F242 HydrophobicContact CB-CE2 4.12Å; P30-F242 HydrophobicContact CB-CZ 4.46Å; P30-K254 WeakPolarHBondContact CD-O 3.39Å; P30-L256 HydrophobicContact CG-CD2 3.99Å; P30-L256 HydrophobicContact CG-CG 4.15Å
31	T	98.2	Very high	98	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-71.1	-38.3	177.2	54.9	0	0	0	0	113.3	H29 C33 A34 S35 G239 F242 I245 W251 L256	H29-T31 PolarHBondContact O-N 3.5Å; T31-C33 VanDerWaalsContact C-N 3.28Å; T31-A34 PolarHBondContact O-N 3.25Å; T31-S35 PolarHBondContact O-N 3.01Å; T31-G239 PolarHBondContact O-N 2.75Å; T31-F242 HydrophobicContact CG2-CD2 4.08Å; T31-F242 HydrophobicContact CG2-CE2 4.22Å; T31-I245 HydrophobicContact CG2-CG2 3.7Å; T31-W251 HydrophobicContact CG2-CB 3.87Å; T31-W251 PolarHBondContact OG1-O 3.3Å; T31-L256 HydrophobicContact CG2-CD2 4.35Å
32	S	98.1	Very high	98	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.7	-28	171.8	-63.3	0	0	0	0	112.4	H29 S35 K67 H69	H29-S32 PolarHBondContact O-N 3.29Å; S32-S35 PolarHBondContact O-OG 3.25Å; S32-S35 VanDerWaalsContact O-OG 3.14Å; S32-K67 PolarHBondContact O-NZ 3.05Å; S32-H69 WeakPolarHBondContact CB-NE2 3.15Å; S32-H69 PolarHBondContact OG-CD2 2.71Å; S32-H69 PolarHBondContact OG-NE2 2.9Å
33	C	98.6	Very high	97.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-70.3	-47.9	172.3	-65.2	0	0	0	0	109.9	H29 P30 T31 S35 L36 I73	H29-C33 PolarHBondContact O-N 3.33Å; H29-C33 PolarHBondContact O-SG 3.11Å; P30-C33 WeakPolarHBondContact O-CB 3.37Å; P30-C33 PolarHBondContact O-N 3.47Å; T31-C33 VanDerWaalsContact C-N 3.28Å; C33-S35 VanDerWaalsContact C-N 3.25Å; C33-S35 PolarHBondContact O-N 3.15Å; C33-L36 PolarHBondContact O-N 2.84Å; C33-I73 HydrophobicContact CB-CB 3.85Å; C33-I73 HydrophobicContact CB-CD1 4.31Å; C33-I73 HydrophobicContact CB-CG2 4.5Å; C33-I73 WeakPolarHBondContact O-CD1 3.31Å
34	A	98.6	Very high	97.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.3	-31.2	-176.3	0	0	0	0	0	114.5	R15 P30 T31 L36 Q240 F242	R15-A34 HydrophobicContact CG-CB 4.25Å; R15-A34 PolarHBondContact NE-O 3.36Å; R15-A34 PolarHBondContact NH2-O 3.36Å; P30-A34 WeakPolarHBondContact O-CB 3.43Å; P30-A34 PolarHBondContact O-N 2.96Å; T31-A34 PolarHBondContact O-N 3.25Å; A34-L36 PolarHBondContact O-N 3.41Å; A34-Q240 WeakPolarHBondContact CB-O 3.49Å; A34-F242 HydrophobicContact CB-CD1 4.48Å; A34-F242 HydrophobicContact CB-CE1 3.9Å; A34-F242 HydrophobicContact CB-CE2 3.95Å; A34-F242 HydrophobicContact CB-CZ 3.61Å
35	S	98.5	Very high	97.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.3	175.4	70.6	0	0	0	0	113.4	T31 S32 C33 K67 D175 H211 T236 Y237	T31-S35 PolarHBondContact O-N 3.01Å; S32-S35 PolarHBondContact O-OG 3.25Å; S32-S35 VanDerWaalsContact O-OG 3.14Å; C33-S35 VanDerWaalsContact C-N 3.25Å; C33-S35 PolarHBondContact O-N 3.15Å; S35-K67 PolarHBondContact OG-NZ 2.85Å; S35-D175 PolarHBondContact OG-OD1 2.88Å; S35-D175 PolarHBondContact OG-OD2 3.04Å; S35-H211 PolarHBondContact O-CE1 3.02Å; S35-T236 WeakPolarHBondContact O-CG2 3.35Å; S35-Y237 VanDerWaalsContact CB-O 3.32Å; S35-Y237 WeakPolarHBondContact CB-O 3.38Å
36	L	98.4	Very high	97.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-5.2	-174.8	-71.6	179.3	0	0	0	114	C33 A34 E38 I39 M40 L65 K67 A70 I73 V144 D175	C33-L36 PolarHBondContact O-N 2.84Å; A34-L36 PolarHBondContact O-N 3.41Å; L36-E38 PolarHBondContact O-N 3.4Å; L36-I39 HydrophobicContact CD2-CD1 4.16Å; L36-I39 WeakPolarHBondContact O-CB 3.22Å; L36-I39 PolarHBondContact O-N 2.91Å; L36-I39 VanDerWaalsContact O-N 3.13Å; L36-M40 HydrophobicContact CB-CG 3.95Å; L36-M40 WeakPolarHBondContact O-CB 3.16Å; L36-M40 WeakPolarHBondContact O-CG 3.41Å; L36-M40 PolarHBondContact O-N 3.4Å; L36-L65 HydrophobicContact CD1-CD1 4.06Å; L36-K67 HydrophobicContact CD1-CD 3.89Å; L36-K67 HydrophobicContact CD1-CG 4.49Å; L36-K67 HydrophobicContact CD2-CD 4.47Å; L36-K67 HydrophobicContact CG-CD 4.47Å; L36-A70 HydrophobicContact CD1-CB 4.12Å; L36-I73 HydrophobicContact CB-CD1 4.27Å; L36-I73 HydrophobicContact CB-CG2 4.44Å; L36-I73 HydrophobicContact CD1-CG2 4.18Å; L36-V144 HydrophobicContact CD1-CG1 4.07Å; L36-V144 HydrophobicContact CD2-CG1 3.66Å; L36-D175 HydrophobicContact CD2-CB 3.63Å
37	A	98.7	Very high	97.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.4	-40.8	-160.9	0	0	0	0	0	114.2	A11 R15 S41 I73	A11-A37 HydrophobicContact CB-CB 4.01Å; A11-A37 WeakPolarHBondContact CB-O 3.39Å; A11-A37 WeakPolarHBondContact O-CB 3.49Å; R15-A37 HydrophobicContact CG-CB 3.78Å; A37-S41 VanDerWaalsContact O-CB 3.25Å; A37-S41 WeakPolarHBondContact O-CB 3.3Å; A37-S41 PolarHBondContact O-N 3.32Å; A37-I73 HydrophobicContact CB-CD1 3.91Å
38	E	98.6	Very high	97.6	Very high	13 Å²	13	7.8 Å²	7.8	6%	0.061	4%	0.035	C	C	.	.	H	α-helix	trans	-65.9	-44.9	174.4	-70.6	73.1	-147.5	0	0	111.7	A11 R15 L36 M40 S41 V42 G210 H211 I213 L216	A11-E38 HydrophobicContact CB-CG 4.2Å; R15-E38 IonicContact CZ-OE1 4Å; R15-E38 IonicContact CZ-OE2 3.56Å; R15-E38 IonicContact NH1-OE1 2.83Å; R15-E38 PolarHBondContact NH1-OE1 2.87Å; R15-E38 IonicContact NH2-OE1 2.77Å; R15-E38 PolarHBondContact NH2-OE1 2.71Å; R15-E38 IonicContact NH2-OE2 2.84Å; R15-E38 PolarHBondContact NH2-OE2 3.37Å; L36-E38 PolarHBondContact O-N 3.4Å; E38-M40 PolarHBondContact O-N 3.03Å; E38-S41 PolarHBondContact O-N 3.29Å; E38-V42 WeakPolarHBondContact O-CG2 3.14Å; E38-V42 PolarHBondContact O-N 3.36Å; E38-G210 WeakPolarHBondContact CB-O 3.43Å; E38-H211 IonicContact OE2-CE1 3.71Å; E38-H211 IonicContact OE2-CG 3.99Å; E38-H211 IonicContact OE2-ND1 3.18Å; E38-H211 PolarHBondContact OE2-ND1 3.04Å; E38-I213 HydrophobicContact CB-CD1 3.65Å; E38-I213 HydrophobicContact CB-CG1 4.45Å; E38-I213 HydrophobicContact CG-CD1 3.81Å; E38-I213 HydrophobicContact CG-CG1 4.18Å; E38-L216 HydrophobicContact CB-CD1 3.73Å
39	I	98.7	Very high	97.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57.5	-50	177.7	-60.7	172.6	0	0	0	109.9	L36 V42 L43 I173 L216 C234 T236	L36-I39 HydrophobicContact CD2-CD1 4.16Å; L36-I39 WeakPolarHBondContact O-CB 3.22Å; L36-I39 PolarHBondContact O-N 2.91Å; L36-I39 VanDerWaalsContact O-N 3.13Å; I39-V42 PolarHBondContact O-N 3.17Å; I39-L43 WeakPolarHBondContact O-CB 3.49Å; I39-L43 PolarHBondContact O-N 2.95Å; I39-I173 HydrophobicContact CD1-CG2 4.24Å; I39-I173 HydrophobicContact CG2-CD1 4.33Å; I39-I173 HydrophobicContact CG2-CG2 3.94Å; I39-L216 HydrophobicContact CG1-CD1 4.21Å; I39-L216 HydrophobicContact CG1-CD2 4.09Å; I39-C234 HydrophobicContact CD1-CB 3.76Å; I39-T236 HydrophobicContact CD1-CG2 4.08Å
40	M	98.3	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.4	-39.7	-179.5	-68.1	-65.2	-66.5	0	0	111.8	L14 L36 E38 L43 F44 F63 I73 L74 A77	L14-M40 HydrophobicContact CD1-CB 3.83Å; L36-M40 HydrophobicContact CB-CG 3.95Å; L36-M40 WeakPolarHBondContact O-CB 3.16Å; L36-M40 WeakPolarHBondContact O-CG 3.41Å; L36-M40 PolarHBondContact O-N 3.4Å; E38-M40 PolarHBondContact O-N 3.03Å; M40-L43 PolarHBondContact O-N 2.73Å; M40-F44 HydrophobicContact CE-CD2 3.76Å; M40-F44 HydrophobicContact CE-CE2 3.25Å; M40-F44 HydrophobicContact CE-CZ 3.88Å; M40-F44 VanDerWaalsContact O-CB 3.32Å; M40-F44 WeakPolarHBondContact O-CB 2.88Å; M40-F44 WeakPolarHBondContact O-CD2 3.47Å; M40-F44 PolarHBondContact O-N 2.97Å; M40-F44 HydrophobicContact SD-CD2 4.44Å; M40-F44 HydrophobicContact SD-CE2 4.1Å; M40-F63 HydrophobicContact CE-CE1 4.08Å; M40-F63 HydrophobicContact CE-CZ 3.9Å; M40-F63 HydrophobicContact SD-CE1 4.42Å; M40-F63 HydrophobicContact SD-CE2 4.25Å; M40-F63 HydrophobicContact SD-CZ 3.65Å; M40-I73 HydrophobicContact CB-CG1 4.5Å; M40-I73 HydrophobicContact CE-CG2 4.41Å; M40-I73 HydrophobicContact CG-CD1 4.28Å; M40-I73 HydrophobicContact CG-CG1 4.26Å; M40-I73 HydrophobicContact CG-CG2 4.09Å; M40-L74 HydrophobicContact CE-CB 4.5Å; M40-L74 HydrophobicContact CE-CD1 4.33Å; M40-A77 HydrophobicContact CE-CB 4.08Å
41	S	97	Very high	97.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.2	-52.9	175.8	179.2	0	0	0	0	111.4	L7 V10 A37 E38 L43 L45	L7-S41 WeakPolarHBondContact CA-OG 3.41Å; L7-S41 PolarHBondContact O-OG 3.38Å; V10-S41 WeakPolarHBondContact CG1-OG 3.47Å; A37-S41 VanDerWaalsContact O-CB 3.25Å; A37-S41 WeakPolarHBondContact O-CB 3.3Å; A37-S41 PolarHBondContact O-N 3.32Å; E38-S41 PolarHBondContact O-N 3.29Å; S41-L43 PolarHBondContact O-N 3.19Å; S41-L45 WeakPolarHBondContact O-CB 3.24Å; S41-L45 PolarHBondContact O-N 3.22Å; S41-L45 VanDerWaalsContact O-N 3.09Å
42	V	97.7	Very high	97.2	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-62.8	-44.5	178.1	177.3	0	0	0	0	110.8	L7 E38 I39 K46 E47 I213 L216 L217 F220	L7-V42 HydrophobicContact CD1-CG2 4.3Å; E38-V42 WeakPolarHBondContact O-CG2 3.14Å; E38-V42 PolarHBondContact O-N 3.36Å; I39-V42 PolarHBondContact O-N 3.17Å; V42-K46 WeakPolarHBondContact O-CA 3.17Å; V42-K46 WeakPolarHBondContact O-CB 3.29Å; V42-K46 PolarHBondContact O-N 2.9Å; V42-E47 PolarHBondContact O-N 3.11Å; V42-I213 HydrophobicContact CG2-CD1 3.56Å; V42-I213 HydrophobicContact CG2-CG2 4.24Å; V42-L216 HydrophobicContact CB-CB 4.4Å; V42-L216 HydrophobicContact CG1-CB 4.31Å; V42-L216 HydrophobicContact CG2-CB 3.93Å; V42-L216 HydrophobicContact CG2-CD1 4.1Å; V42-L217 HydrophobicContact CG1-CD2 3.92Å; V42-L217 HydrophobicContact CG1-CG 4.36Å; V42-F220 HydrophobicContact CB-CE2 4.3Å; V42-F220 HydrophobicContact CG1-CD2 3.56Å; V42-F220 HydrophobicContact CG1-CE2 3.79Å
43	L	97.3	Very high	97	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-63.5	-48.2	-176.3	-172.2	65.6	0	0	0	111.9	I39 M40 S41 E47 M48 F63 Y142 I173 F220	I39-L43 WeakPolarHBondContact O-CB 3.49Å; I39-L43 PolarHBondContact O-N 2.95Å; M40-L43 PolarHBondContact O-N 2.73Å; S41-L43 PolarHBondContact O-N 3.19Å; L43-E47 HydrophobicContact CD1-CB 4.22Å; L43-E47 HydrophobicContact CD1-CG 4.01Å; L43-M48 HydrophobicContact CD1-CG 3.7Å; L43-M48 HydrophobicContact CD1-SD 4.14Å; L43-M48 HydrophobicContact CD2-SD 4.12Å; L43-M48 HydrophobicContact CG-CG 3.84Å; L43-M48 HydrophobicContact CG-SD 3.73Å; L43-M48 VanDerWaalsContact O-CB 3.28Å; L43-M48 WeakPolarHBondContact O-CB 3.38Å; L43-M48 WeakPolarHBondContact O-CG 3.43Å; L43-M48 PolarHBondContact O-N 2.8Å; L43-F63 HydrophobicContact CD2-CD2 3.53Å; L43-F63 HydrophobicContact CD2-CE2 3.31Å; L43-F63 HydrophobicContact CD2-CZ 4.39Å; L43-Y142 HydrophobicContact CD1-CD1 3.48Å; L43-Y142 VanDerWaalsContact CD1-CD1 3.48Å; L43-Y142 HydrophobicContact CD1-CD2 4.25Å; L43-Y142 HydrophobicContact CD1-CE1 3.87Å; L43-Y142 HydrophobicContact CD1-CG 3.71Å; L43-I173 HydrophobicContact CD2-CD1 4.25Å; L43-F220 HydrophobicContact CD1-CE1 4.06Å; L43-F220 HydrophobicContact CD1-CZ 4.05Å
44	F	96.5	Very high	96.8	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	11%	0.107	C	C	.	.	I	π-helix	trans	-81.6	-28.6	-173.6	-85.7	-110.5	0	0	0	114.1	M40 M48 Y50 F63 L74 A77 W78	M40-F44 HydrophobicContact CE-CD2 3.76Å; M40-F44 HydrophobicContact CE-CE2 3.25Å; M40-F44 HydrophobicContact CE-CZ 3.88Å; M40-F44 VanDerWaalsContact O-CB 3.32Å; M40-F44 WeakPolarHBondContact O-CB 2.88Å; M40-F44 WeakPolarHBondContact O-CD2 3.47Å; M40-F44 PolarHBondContact O-N 2.97Å; M40-F44 HydrophobicContact SD-CD2 4.44Å; M40-F44 HydrophobicContact SD-CE2 4.1Å; F44-M48 HydrophobicContact CE2-SD 4.42Å; F44-Y50 WeakPolarHBondContact CD1-OH 3.39Å; F44-Y50 WeakPolarHBondContact O-CE1 3.5Å; F44-Y50 PolarHBondContact O-OH 3.3Å; F44-F63 HydrophobicContact CE2-CD1 4.14Å; F44-F63 HydrophobicContact CE2-CD2 4.28Å; F44-F63 HydrophobicContact CE2-CE1 4.12Å; F44-F63 HydrophobicContact CE2-CE2 4.26Å; F44-F63 HydrophobicContact CE2-CG 4.21Å; F44-F63 HydrophobicContact CE2-CZ 4.19Å; F44-F63 AromaticContact CZ-CD1 3.91Å; F44-F63 HydrophobicContact CZ-CD1 3.91Å; F44-F63 HydrophobicContact CZ-CE1 4.16Å; F44-F63 HydrophobicContact CZ-CG 4.2Å; F44-L74 HydrophobicContact CE1-CD1 4.16Å; F44-L74 HydrophobicContact CE2-CD1 4.45Å; F44-L74 HydrophobicContact CZ-CD1 3.55Å; F44-A77 HydrophobicContact CB-CB 4.47Å; F44-A77 HydrophobicContact CD1-CB 3.72Å; F44-A77 HydrophobicContact CD2-CB 4.22Å; F44-A77 HydrophobicContact CE1-CB 3.98Å; F44-A77 HydrophobicContact CE2-CB 4.47Å; F44-A77 HydrophobicContact CG-CB 3.86Å; F44-A77 HydrophobicContact CZ-CB 4.36Å; F44-W78 AromaticContact CE1-CD1 3.87Å; F44-W78 HydrophobicContact CE1-CD2 4.41Å; F44-W78 AromaticContact CE1-CE2 3.82Å; F44-W78 HydrophobicContact CE1-CG 4.42Å; F44-W78 HydrophobicContact CE1-CZ2 4.35Å; F44-W78 AromaticContact CE1-NE1 3.47Å
45	L	94.6	Very high	96.6	Very high	15 Å²	15	23.5 Å²	23.5	8%	0.079	11%	0.111	C	C	.	.	I	π-helix	trans	-100.1	-22.9	-176.2	-81.1	69.8	0	0	0	113.2	L7 V10 S41 V81	L7-L45 HydrophobicContact CD2-CB 3.87Å; L7-L45 HydrophobicContact CD2-CD2 4.32Å; V10-L45 HydrophobicContact CB-CD2 4.14Å; V10-L45 HydrophobicContact CG1-CD1 3.94Å; V10-L45 HydrophobicContact CG1-CD2 3.94Å; V10-L45 HydrophobicContact CG2-CD2 3.6Å; S41-L45 WeakPolarHBondContact O-CB 3.24Å; S41-L45 PolarHBondContact O-N 3.22Å; S41-L45 VanDerWaalsContact O-N 3.09Å; L45-V81 HydrophobicContact CD1-CG1 4.24Å
46	K	94.7	Very high	96.5	Very high	91 Å²	91	28.9 Å²	28.9	40%	0.396	13%	0.132	S	C	.	.	I	π-helix	trans	-123.7	-50.6	-171.8	-173.7	62.7	175.5	-167.1	0	114.3	E3 V42 L217	E3-K46 WeakPolarHBondContact OE1-CE 3.49Å; E3-K46 IonicContact OE1-NZ 3.77Å; E3-K46 PolarHBondContact OE1-NZ 3.28Å; E3-K46 IonicContact OE2-NZ 3.53Å; V42-K46 WeakPolarHBondContact O-CA 3.17Å; V42-K46 WeakPolarHBondContact O-CB 3.29Å; V42-K46 PolarHBondContact O-N 2.9Å; K46-L217 HydrophobicContact CB-CD2 4.2Å; K46-L217 HydrophobicContact CG-CD2 3.63Å
47	E	96.9	Very high	96.4	Very high	16 Å²	16	29.7 Å²	29.7	8%	0.075	14%	0.136	C	C	.	.	I	π-helix	trans	-80.9	-54.7	-170.3	174	60.3	-168.5	0	0	112.3	V42 L43 Y142 F220 Y224	V42-E47 PolarHBondContact O-N 3.11Å; L43-E47 HydrophobicContact CD1-CB 4.22Å; L43-E47 HydrophobicContact CD1-CG 4.01Å; E47-Y142 HydrophobicContact CG-CE1 3.68Å; E47-Y142 WeakPolarHBondContact CG-OH 3.29Å; E47-Y142 PolarHBondContact OE1-OH 3.37Å; E47-F220 HydrophobicContact CB-CB 4.46Å; E47-F220 HydrophobicContact CB-CD2 4.47Å; E47-F220 HydrophobicContact CB-CG 4.26Å; E47-F220 HydrophobicContact CG-CB 4.09Å; E47-F220 HydrophobicContact CG-CD1 3.75Å; E47-F220 HydrophobicContact CG-CE1 4.31Å; E47-F220 HydrophobicContact CG-CG 3.89Å; E47-Y224 VanDerWaalsContact OE1-CE2 3.29Å; E47-Y224 WeakPolarHBondContact OE1-CE2 3.33Å; E47-Y224 VanDerWaalsContact OE1-CZ 3.32Å; E47-Y224 PolarHBondContact OE1-OH 2.96Å
48	M	97.7	Very high	96.3	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.02	14%	0.142	C	C	.	.			trans	-70.7	142.8	-177.2	-72.9	-179.2	61.9	0	0	112.2	L43 F44 Y50 D61 F63 Y142	L43-M48 HydrophobicContact CD1-CG 3.7Å; L43-M48 HydrophobicContact CD1-SD 4.14Å; L43-M48 HydrophobicContact CD2-SD 4.12Å; L43-M48 HydrophobicContact CG-CG 3.84Å; L43-M48 HydrophobicContact CG-SD 3.73Å; L43-M48 VanDerWaalsContact O-CB 3.28Å; L43-M48 WeakPolarHBondContact O-CB 3.38Å; L43-M48 WeakPolarHBondContact O-CG 3.43Å; L43-M48 PolarHBondContact O-N 2.8Å; F44-M48 HydrophobicContact CE2-SD 4.42Å; M48-Y50 HydrophobicContact CB-CD1 3.76Å; M48-Y50 HydrophobicContact CB-CE1 3.85Å; M48-Y50 HydrophobicContact CE-CD1 4.37Å; M48-D61 WeakPolarHBondContact CA-OD2 3.38Å; M48-D61 HydrophobicContact CB-CB 4.2Å; M48-D61 HydrophobicContact CE-CB 3.9Å; M48-D61 HydrophobicContact CG-CB 4.2Å; M48-F63 HydrophobicContact CE-CB 3.76Å; M48-F63 HydrophobicContact SD-CB 3.99Å; M48-F63 HydrophobicContact SD-CD2 4.22Å; M48-F63 HydrophobicContact SD-CG 4.39Å; M48-Y142 HydrophobicContact CG-CD2 3.7Å; M48-Y142 HydrophobicContact CG-CE2 3.74Å; M48-Y142 HydrophobicContact CG-CG 4.4Å; M48-Y142 HydrophobicContact SD-CD2 4.23Å
49	R	97.5	Very high	96.2	Very high	101 Å²	101	30.1 Å²	30.1	38%	0.381	14%	0.14	S	C	.	.			trans	-109	112.1	175.4	-55.5	-175.6	179.1	-176.5	-0.3	111.1	S60 D61 S283 P285	R49-S60 CarbonylContact O-C 3.58Å; R49-S60 WeakPolarHBondContact O-CA 3.29Å; R49-D61 PolarHBondContact N-OD2 2.59Å; R49-D61 PolarHBondContact O-N 2.9Å; R49-S283 CarbonylContact C-O 3.49Å; R49-S283 WeakPolarHBondContact CA-O 3.44Å; R49-P285 HydrophobicContact CB-CB 4.27Å
50	Y	96.9	Very high	96.2	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.016	14%	0.14	C	C	.	.			trans	-159	171	-177.4	62.7	-76.7	0	0	0	111.1	F44 M48 P52 S60 W78 V81 P282 S283	F44-Y50 WeakPolarHBondContact CD1-OH 3.39Å; F44-Y50 WeakPolarHBondContact O-CE1 3.5Å; F44-Y50 PolarHBondContact O-OH 3.3Å; M48-Y50 HydrophobicContact CB-CD1 3.76Å; M48-Y50 HydrophobicContact CB-CE1 3.85Å; M48-Y50 HydrophobicContact CE-CD1 4.37Å; Y50-P52 HydrophobicContact CD2-CG 4.45Å; Y50-P52 HydrophobicContact CE2-CG 4.11Å; Y50-S60 WeakPolarHBondContact CA-OG 3.37Å; Y50-W78 AromaticContact CD2-CH2 3.56Å; Y50-W78 HydrophobicContact CD2-CH2 3.56Å; Y50-W78 HydrophobicContact CD2-CZ2 4.3Å; Y50-W78 HydrophobicContact CD2-CZ3 4.03Å; Y50-W78 HydrophobicContact CE2-CE3 4.49Å; Y50-W78 AromaticContact CE2-CH2 3.63Å; Y50-W78 HydrophobicContact CE2-CH2 3.63Å; Y50-W78 HydrophobicContact CE2-CZ2 4.18Å; Y50-W78 AromaticContact CE2-CZ3 3.82Å; Y50-W78 HydrophobicContact CE2-CZ3 3.82Å; Y50-V81 HydrophobicContact CE2-CG2 4.37Å; Y50-P282 HydrophobicContact CD1-CB 3.99Å; Y50-P282 HydrophobicContact CD1-CG 4.29Å; Y50-P282 HydrophobicContact CD2-CG 4.35Å; Y50-P282 HydrophobicContact CE1-CB 3.51Å; Y50-P282 HydrophobicContact CE1-CG 3.81Å; Y50-P282 HydrophobicContact CE2-CG 3.92Å; Y50-S283 PolarHBondContact N-O 2.75Å; Y50-S283 VanDerWaalsContact N-O 3.07Å
51	K	94.5	Very high	96.2	Very high	43 Å²	43	30.6 Å²	30.6	19%	0.187	14%	0.142	C	C	.	.			trans	-110.3	108.8	176.7	-63.9	177.1	-174.7	169.3	0	108.4	E53 S54 P285 D287	K51-E53 HydrophobicContact CB-CG 4.44Å; K51-E53 PolarHBondContact O-N 3.04Å; K51-S54 CarbonylContact O-C 3.55Å; K51-S54 PolarHBondContact O-N 3.35Å; K51-P285 HydrophobicContact CG-CG 4.41Å; K51-D287 IonicContact NZ-OD2 2.72Å
52	P	93.4	Very high	96.2	Very high	10 Å²	10	30.6 Å²	30.6	7%	0.065	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-39.6	177	-30.4	37.5	0	0	0	113.1	Y50 S54 P55 V81 L83 L281 P282	Y50-P52 HydrophobicContact CD2-CG 4.45Å; Y50-P52 HydrophobicContact CE2-CG 4.11Å; P52-S54 PolarHBondContact O-N 2.7Å; P52-P55 WeakPolarHBondContact O-CD 3.33Å; P52-P55 WeakPolarHBondContact O-CG 3.34Å; P52-V81 HydrophobicContact CB-CB 4.44Å; P52-V81 HydrophobicContact CB-CG2 4.12Å; P52-V81 HydrophobicContact CG-CB 4.14Å; P52-V81 HydrophobicContact CG-CG2 4.16Å; P52-L83 WeakPolarHBondContact O-CD1 3.38Å; P52-L281 HydrophobicContact CG-CD2 4.48Å; P52-P282 HydrophobicContact CG-CG 3.67Å
53	E	93.8	Very high	96.3	Very high	131 Å²	131	31.5 Å²	31.5	61%	0.612	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.5	177.3	66.7	-86	-161	0	0	114.5	K51	K51-E53 HydrophobicContact CB-CG 4.44Å; K51-E53 PolarHBondContact O-N 3.04Å
54	S	94.9	Very high	96.3	Very high	50 Å²	50	31.6 Å²	31.6	35%	0.35	15%	0.147	S	C	.	.			trans	-142.2	71	178.4	-169.1	0	0	0	0	110.7	K51 P52 R56 N57	K51-S54 CarbonylContact O-C 3.55Å; K51-S54 PolarHBondContact O-N 3.35Å; P52-S54 PolarHBondContact O-N 2.7Å; S54-R56 PolarHBondContact O-N 2.77Å; S54-R56 VanDerWaalsContact O-N 3.1Å; S54-N57 WeakPolarHBondContact O-CB 3.39Å; S54-N57 PolarHBondContact O-N 3.01Å
55	P	95.2	Very high	96.4	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.091	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.8	-172.4	-25.2	34.4	0	0	0	114.7	P52 N57 W78 L83 F109 R376	P52-P55 WeakPolarHBondContact O-CD 3.33Å; P52-P55 WeakPolarHBondContact O-CG 3.34Å; P55-N57 VanDerWaalsContact C-N 3.3Å; P55-W78 HydrophobicContact CB-CH2 3.72Å; P55-W78 HydrophobicContact CB-CZ2 4.46Å; P55-W78 HydrophobicContact CB-CZ3 3.93Å; P55-W78 HydrophobicContact CG-CH2 4.16Å; P55-W78 HydrophobicContact CG-CZ3 3.84Å; P55-L83 HydrophobicContact CG-CD1 3.81Å; P55-L83 HydrophobicContact CG-CD2 3.97Å; P55-F109 HydrophobicContact CB-CB 3.71Å; P55-F109 HydrophobicContact CG-CB 4.35Å; P55-R376 PolarHBondContact O-NH1 2.96Å
56	R	95.1	Very high	96.6	Very high	113 Å²	113	31.1 Å²	31.1	43%	0.426	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5.6	178	-63	-170.2	73.1	82.6	-7	113.9	S54 P108	S54-R56 PolarHBondContact O-N 2.77Å; S54-R56 VanDerWaalsContact O-N 3.1Å; R56-P108 HydrophobicContact CG-CB 4.32Å; R56-P108 WeakPolarHBondContact CG-O 3.28Å
57	N	95.9	Very high	96.8	Very high	17 Å²	17	26.9 Å²	26.9	9%	0.091	13%	0.126	C	C	.	.			trans	-53.9	126.2	-176.6	173.6	-75.4	0	0	0	110.5	S54 P55 S59 S60 R62 R376	S54-N57 WeakPolarHBondContact O-CB 3.39Å; S54-N57 PolarHBondContact O-N 3.01Å; P55-N57 VanDerWaalsContact C-N 3.3Å; N57-S59 PolarHBondContact O-N 2.79Å; N57-S59 PolarHBondContact OD1-N 3.41Å; N57-S60 WeakPolarHBondContact CB-OG 3.43Å; N57-S60 WeakPolarHBondContact O-CB 3.41Å; N57-S60 PolarHBondContact O-N 3.14Å; N57-S60 PolarHBondContact O-OG 2.98Å; N57-S60 PolarHBondContact OD1-N 2.73Å; N57-S60 PolarHBondContact OD1-OG 2.68Å; N57-R62 PolarHBondContact O-NH1 3.49Å; N57-R376 PolarHBondContact O-NH1 3.09Å
58	P	96.5	Very high	96.7	Very high	20 Å²	20	26.1 Å²	26.1	13%	0.13	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.6	-171.4	21.4	-34	0	0	0	114.3	R62 C289	P58-R62 VanDerWaalsContact O-CZ 3.28Å; P58-R62 PolarHBondContact O-NH1 2.87Å; P58-R62 PolarHBondContact O-NH2 2.98Å; P58-C289 HydrophobicContact CB-CB 4.2Å; P58-C289 WeakPolarHBondContact CG-O 3.36Å
59	S	97.5	Very high	96.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.6	176.2	-75.6	0	0	0	0	114.9	N57 P285 L286 D288 C289	N57-S59 PolarHBondContact O-N 2.79Å; N57-S59 PolarHBondContact OD1-N 3.41Å; S59-P285 WeakPolarHBondContact O-CB 3.35Å; S59-L286 WeakPolarHBondContact CB-O 3.27Å; S59-L286 PolarHBondContact OG-O 2.95Å; S59-L286 VanDerWaalsContact OG-O 3.07Å; S59-D288 PolarHBondContact OG-N 3.44Å; S59-D288 VanDerWaalsContact OG-N 3.09Å; S59-D288 PolarHBondContact OG-OD1 3.41Å; S59-C289 WeakPolarHBondContact OG-CB 3.35Å; S59-C289 PolarHBondContact OG-N 3.21Å
60	S	97.7	Very high	96.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	11%	0.11	C	C	.	.	S	Bend	trans	-69.3	150.4	-179.1	-64.3	0	0	0	0	112.4	R49 Y50 N57 R62 Y139	R49-S60 CarbonylContact O-C 3.58Å; R49-S60 WeakPolarHBondContact O-CA 3.29Å; Y50-S60 WeakPolarHBondContact CA-OG 3.37Å; N57-S60 WeakPolarHBondContact CB-OG 3.43Å; N57-S60 WeakPolarHBondContact O-CB 3.41Å; N57-S60 PolarHBondContact O-N 3.14Å; N57-S60 PolarHBondContact O-OG 2.98Å; N57-S60 PolarHBondContact OD1-N 2.73Å; N57-S60 PolarHBondContact OD1-OG 2.68Å; S60-R62 PolarHBondContact O-NH1 3.23Å; S60-Y139 WeakPolarHBondContact O-CB 3.44Å
61	D	98.4	Very high	96.8	Very high	9 Å²	9	22.3 Å²	22.3	5%	0.048	11%	0.109	C	C	.	.			trans	-57.5	151.5	167.3	-68.6	-22.5	0	0	0	111	M48 R49 Y139 R140 Y142	M48-D61 WeakPolarHBondContact CA-OD2 3.38Å; M48-D61 HydrophobicContact CB-CB 4.2Å; M48-D61 HydrophobicContact CE-CB 3.9Å; M48-D61 HydrophobicContact CG-CB 4.2Å; R49-D61 PolarHBondContact N-OD2 2.59Å; R49-D61 PolarHBondContact O-N 2.9Å; D61-Y139 WeakPolarHBondContact OD1-CA 3.42Å; D61-R140 CarbonylContact C-O 3.59Å; D61-R140 WeakPolarHBondContact CA-O 3.41Å; D61-R140 PolarHBondContact OD1-N 3.39Å; D61-Y142 HydrophobicContact CB-CD2 4.39Å; D61-Y142 HydrophobicContact CB-CE2 4.04Å
62	R	98.2	Very high	97	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	144.4	-178.8	-50.3	-59.1	-164.8	-114.7	-7.2	109.7	N57 P58 S60 M127 Y139 R140 V141 Y142	N57-R62 PolarHBondContact O-NH1 3.49Å; P58-R62 VanDerWaalsContact O-CZ 3.28Å; P58-R62 PolarHBondContact O-NH1 2.87Å; P58-R62 PolarHBondContact O-NH2 2.98Å; S60-R62 PolarHBondContact O-NH1 3.23Å; R62-M127 HydrophobicContact CB-SD 4.02Å; R62-M127 HydrophobicContact CG-SD 4.48Å; R62-Y139 HydrophobicContact CG-CD2 3.95Å; R62-Y139 HydrophobicContact CG-CE2 3.98Å; R62-R140 PolarHBondContact N-O 2.95Å; R62-V141 HydrophobicContact CB-CB 4.33Å; R62-V141 HydrophobicContact CB-CG1 4.05Å; R62-V141 HydrophobicContact CB-CG2 4Å; R62-V141 HydrophobicContact CG-CG2 4.08Å; R62-Y142 PolarHBondContact O-N 3.28Å
63	F	98.6	Very high	97.2	Very high	20 Å²	20	20 Å²	20	9%	0.088	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.3	178.6	179.9	-104.4	0	0	0	110.9	M40 L43 F44 M48 L65 L74 Y142 V144	M40-F63 HydrophobicContact CE-CE1 4.08Å; M40-F63 HydrophobicContact CE-CZ 3.9Å; M40-F63 HydrophobicContact SD-CE1 4.42Å; M40-F63 HydrophobicContact SD-CE2 4.25Å; M40-F63 HydrophobicContact SD-CZ 3.65Å; L43-F63 HydrophobicContact CD2-CD2 3.53Å; L43-F63 HydrophobicContact CD2-CE2 3.31Å; L43-F63 HydrophobicContact CD2-CZ 4.39Å; F44-F63 HydrophobicContact CE2-CD1 4.14Å; F44-F63 HydrophobicContact CE2-CD2 4.28Å; F44-F63 HydrophobicContact CE2-CE1 4.12Å; F44-F63 HydrophobicContact CE2-CE2 4.26Å; F44-F63 HydrophobicContact CE2-CG 4.21Å; F44-F63 HydrophobicContact CE2-CZ 4.19Å; F44-F63 AromaticContact CZ-CD1 3.91Å; F44-F63 HydrophobicContact CZ-CD1 3.91Å; F44-F63 HydrophobicContact CZ-CE1 4.16Å; F44-F63 HydrophobicContact CZ-CG 4.2Å; M48-F63 HydrophobicContact CE-CB 3.76Å; M48-F63 HydrophobicContact SD-CB 3.99Å; M48-F63 HydrophobicContact SD-CD2 4.22Å; M48-F63 HydrophobicContact SD-CG 4.39Å; F63-L65 HydrophobicContact CE1-CB 3.79Å; F63-L65 HydrophobicContact CZ-CB 4.21Å; F63-L65 HydrophobicContact CZ-CD1 4.3Å; F63-L74 HydrophobicContact CD1-CD1 3.83Å; F63-L74 HydrophobicContact CE1-CD1 3.71Å; F63-L74 HydrophobicContact CE1-CD2 4.41Å; F63-Y142 CarbonylContact C-O 3.43Å; F63-Y142 WeakPolarHBondContact CA-O 3.42Å; F63-V144 HydrophobicContact CE2-CB 4.49Å; F63-V144 HydrophobicContact CE2-CG2 3.64Å; F63-V144 HydrophobicContact CZ-CB 4.45Å; F63-V144 HydrophobicContact CZ-CG2 3.92Å
64	V	98.7	Very high	97.4	Very high	2 Å²	2	14 Å²	14	1%	0.012	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.3	174.3	-179.1	0	0	0	0	108.6	S66 V112 T114 I123 A124 M127 Y142 C143 V144	V64-S66 PolarHBondContact O-N 3.44Å; V64-V112 HydrophobicContact CG1-CG2 4.17Å; V64-V112 HydrophobicContact CG2-CG2 4.35Å; V64-T114 HydrophobicContact CG1-CG2 4.2Å; V64-I123 HydrophobicContact CG2-CG2 4.48Å; V64-A124 HydrophobicContact CG2-CB 4.21Å; V64-M127 HydrophobicContact CG2-CE 3.84Å; V64-M127 HydrophobicContact CG2-SD 3.73Å; V64-Y142 PolarHBondContact N-O 3.35Å; V64-C143 HydrophobicContact CB-CB 4.39Å; V64-C143 WeakPolarHBondContact O-CA 3.49Å; V64-V144 PolarHBondContact O-N 2.93Å
65	L	98.7	Very high	97.6	Very high	4 Å²	4	11.6 Å²	11.6	2%	0.021	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	87.1	168.3	-175.5	65	0	0	0	108.9	L36 F63 K67 G68 A70 L74 P103 T114 V144	L36-L65 HydrophobicContact CD1-CD1 4.06Å; F63-L65 HydrophobicContact CE1-CB 3.79Å; F63-L65 HydrophobicContact CZ-CB 4.21Å; F63-L65 HydrophobicContact CZ-CD1 4.3Å; L65-K67 HydrophobicContact CD1-CG 3.94Å; L65-G68 PolarHBondContact O-N 3.07Å; L65-A70 HydrophobicContact CD2-CB 4.33Å; L65-L74 HydrophobicContact CB-CD2 4.35Å; L65-L74 HydrophobicContact CD2-CB 4.02Å; L65-L74 HydrophobicContact CD2-CD2 4.41Å; L65-P103 HydrophobicContact CB-CG 4.29Å; L65-P103 HydrophobicContact CD2-CG 4.26Å; L65-T114 VanDerWaalsContact O-CB 3.32Å; L65-T114 WeakPolarHBondContact O-CB 3.47Å; L65-T114 VanDerWaalsContact O-CG2 3.29Å; L65-T114 WeakPolarHBondContact O-CG2 3.38Å; L65-T114 PolarHBondContact O-OG1 3.38Å; L65-V144 HydrophobicContact CD1-CB 4.04Å; L65-V144 HydrophobicContact CD1-CG1 4.04Å
66	S	98.5	Very high	97.7	Very high	1 Å²	1	11 Å²	11	1%	0.007	5%	0.049	C	C	.	.	S	Bend	trans	-63.1	-42.7	-177.6	-154.6	0	0	0	0	111.7	V64 G68 G120 V144 E149	V64-S66 PolarHBondContact O-N 3.44Å; S66-G68 PolarHBondContact O-N 3.48Å; S66-G120 WeakPolarHBondContact OG-CA 3.25Å; S66-G120 PolarHBondContact OG-N 3.15Å; S66-G120 VanDerWaalsContact OG-N 3.09Å; S66-V144 WeakPolarHBondContact CA-O 3.38Å; S66-V144 WeakPolarHBondContact CB-O 3.3Å; S66-V144 PolarHBondContact N-O 3.08Å; S66-E149 WeakPolarHBondContact CB-OE1 3.49Å; S66-E149 WeakPolarHBondContact CB-OE2 3.31Å; S66-E149 VanDerWaalsContact OG-CD 3.3Å; S66-E149 PolarHBondContact OG-OE1 2.73Å
67	K	97.4	Very high	97.8	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.009	3%	0.03	C	C	.	.	S	Bend	trans	-71.6	65.3	167.3	56.8	170.2	-76.3	-162	0	112.1	S32 S35 L36 L65 H69 A70 V144 E149 D175	S32-K67 PolarHBondContact O-NZ 3.05Å; S35-K67 PolarHBondContact OG-NZ 2.85Å; L36-K67 HydrophobicContact CD1-CD 3.89Å; L36-K67 HydrophobicContact CD1-CG 4.49Å; L36-K67 HydrophobicContact CD2-CD 4.47Å; L36-K67 HydrophobicContact CG-CD 4.47Å; L65-K67 HydrophobicContact CD1-CG 3.94Å; K67-H69 PolarHBondContact O-N 3.35Å; K67-A70 PolarHBondContact O-N 3.37Å; K67-V144 HydrophobicContact CD-CG1 4.13Å; K67-V144 HydrophobicContact CG-CG1 4.08Å; K67-V144 PolarHBondContact N-O 3.41Å; K67-E149 PolarHBondContact N-OE2 2.73Å; K67-D175 HydrophobicContact CD-CB 4.24Å; K67-D175 IonicContact NZ-OD2 3.11Å; K67-D175 PolarHBondContact NZ-OD2 3.47Å
68	G	96.6	Very high	97.9	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-57.3	-26.8	-167.5	0	0	0	0	0	115	L65 S66 A70 A71 P103 T114	L65-G68 PolarHBondContact O-N 3.07Å; S66-G68 PolarHBondContact O-N 3.48Å; G68-A70 PolarHBondContact O-N 3.04Å; G68-A71 WeakPolarHBondContact O-CB 3.34Å; G68-A71 PolarHBondContact O-N 3.49Å; G68-P103 VanDerWaalsContact O-CD 3.23Å; G68-P103 WeakPolarHBondContact O-CD 3.46Å; G68-T114 WeakPolarHBondContact CA-OG1 3.34Å
69	H	96.3	Very high	97.8	Very high	30 Å²	30	4.7 Å²	4.7	14%	0.139	2%	0.024	C	C	.	.	G	3₁₀ helix	trans	-62.8	-17.7	178.6	67.6	-96.3	0	0	0	113.5	H29 S32 K67 A71 H102 H252	H29-H69 PolarHBondContact CD2-O 3.29Å; H29-H69 AromaticContact CG-CD2 3.61Å; H29-H69 AromaticContact ND1-CD2 3.46Å; H29-H69 PolarHBondContact ND1-CD2 2.87Å; H29-H69 AromaticContact ND1-CG 3.98Å; S32-H69 WeakPolarHBondContact CB-NE2 3.15Å; S32-H69 PolarHBondContact OG-CD2 2.71Å; S32-H69 PolarHBondContact OG-NE2 2.9Å; K67-H69 PolarHBondContact O-N 3.35Å; H69-A71 PolarHBondContact O-N 2.94Å; H69-H102 PolarHBondContact N-CD2 3.34Å; H69-H102 VanDerWaalsContact N-CD2 3.28Å; H69-H252 AromaticContact NE2-CE1 3.9Å
70	A	97.8	Very high	97.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-81.4	16.8	170.8	0	0	0	0	0	113.3	L36 L65 K67 G68 P72 I73	L36-A70 HydrophobicContact CD1-CB 4.12Å; L65-A70 HydrophobicContact CD2-CB 4.33Å; K67-A70 PolarHBondContact O-N 3.37Å; G68-A70 PolarHBondContact O-N 3.04Å; A70-P72 VanDerWaalsContact C-N 3.26Å; A70-P72 WeakPolarHBondContact O-CD 3.03Å; A70-P72 VanDerWaalsContact O-N 3.08Å; A70-I73 WeakPolarHBondContact O-CG2 3.41Å; A70-I73 PolarHBondContact O-N 2.83Å; A70-I73 VanDerWaalsContact O-N 3.1Å
71	A	98.4	Very high	97.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-44.8	-38.8	178.9	0	0	0	0	0	115.7	G68 H69 I73 L74 Y75 P103	G68-A71 WeakPolarHBondContact O-CB 3.34Å; G68-A71 PolarHBondContact O-N 3.49Å; H69-A71 PolarHBondContact O-N 2.94Å; A71-I73 PolarHBondContact O-N 2.98Å; A71-I73 VanDerWaalsContact O-N 3.11Å; A71-L74 WeakPolarHBondContact O-CB 3.38Å; A71-L74 PolarHBondContact O-N 3.16Å; A71-Y75 HydrophobicContact CB-CD2 4.44Å; A71-Y75 HydrophobicContact CB-CE1 4.3Å; A71-Y75 HydrophobicContact CB-CE2 3.66Å; A71-Y75 WeakPolarHBondContact O-CD2 3.2Å; A71-Y75 PolarHBondContact O-N 3.48Å; A71-P103 HydrophobicContact CB-CG 4.36Å
72	P	98.6	Very high	97.1	Very high	4 Å²	4	8.5 Å²	8.5	3%	0.026	6%	0.058	C	C	.	.	H	α-helix	trans	-55.3	-33.1	-179.6	-27.6	35.7	0	0	0	114	T22 A70 Y75 A76 L92	T22-P72 HydrophobicContact CG2-CB 4.29Å; T22-P72 HydrophobicContact CG2-CG 3.9Å; A70-P72 VanDerWaalsContact C-N 3.26Å; A70-P72 WeakPolarHBondContact O-CD 3.03Å; A70-P72 VanDerWaalsContact O-N 3.08Å; P72-Y75 PolarHBondContact O-N 3.25Å; P72-A76 WeakPolarHBondContact O-CB 3.48Å; P72-A76 PolarHBondContact O-N 3.35Å; P72-L92 HydrophobicContact CB-CD2 4.43Å; P72-L92 HydrophobicContact CG-CD1 4.25Å; P72-L92 HydrophobicContact CG-CD2 3.88Å
73	I	98.7	Very high	96.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-74.5	-32.4	177.5	-157.4	158.2	0	0	0	113.2	L14 C33 L36 A37 M40 A70 A71 Y75 A76 A77	L14-I73 HydrophobicContact CB-CD1 4.03Å; L14-I73 HydrophobicContact CB-CG1 3.98Å; L14-I73 HydrophobicContact CD1-CD1 4.48Å; L14-I73 HydrophobicContact CD1-CG1 4.31Å; C33-I73 HydrophobicContact CB-CB 3.85Å; C33-I73 HydrophobicContact CB-CD1 4.31Å; C33-I73 HydrophobicContact CB-CG2 4.5Å; C33-I73 WeakPolarHBondContact O-CD1 3.31Å; L36-I73 HydrophobicContact CB-CD1 4.27Å; L36-I73 HydrophobicContact CB-CG2 4.44Å; L36-I73 HydrophobicContact CD1-CG2 4.18Å; A37-I73 HydrophobicContact CB-CD1 3.91Å; M40-I73 HydrophobicContact CB-CG1 4.5Å; M40-I73 HydrophobicContact CE-CG2 4.41Å; M40-I73 HydrophobicContact CG-CD1 4.28Å; M40-I73 HydrophobicContact CG-CG1 4.26Å; M40-I73 HydrophobicContact CG-CG2 4.09Å; A70-I73 WeakPolarHBondContact O-CG2 3.41Å; A70-I73 PolarHBondContact O-N 2.83Å; A70-I73 VanDerWaalsContact O-N 3.1Å; A71-I73 PolarHBondContact O-N 2.98Å; A71-I73 VanDerWaalsContact O-N 3.11Å; I73-Y75 VanDerWaalsContact C-N 3.34Å; I73-A76 PolarHBondContact O-N 2.94Å; I73-A77 WeakPolarHBondContact O-CB 3.44Å; I73-A77 PolarHBondContact O-N 3.02Å
74	L	98.6	Very high	96.7	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.021	7%	0.074	C	C	.	.	H	α-helix	trans	-64	-43.8	172.4	172.8	58.3	0	0	0	110.2	M40 F44 F63 L65 A71 A77 W78 P103 F109 V110	M40-L74 HydrophobicContact CE-CB 4.5Å; M40-L74 HydrophobicContact CE-CD1 4.33Å; F44-L74 HydrophobicContact CE1-CD1 4.16Å; F44-L74 HydrophobicContact CE2-CD1 4.45Å; F44-L74 HydrophobicContact CZ-CD1 3.55Å; F63-L74 HydrophobicContact CD1-CD1 3.83Å; F63-L74 HydrophobicContact CE1-CD1 3.71Å; F63-L74 HydrophobicContact CE1-CD2 4.41Å; L65-L74 HydrophobicContact CB-CD2 4.35Å; L65-L74 HydrophobicContact CD2-CB 4.02Å; L65-L74 HydrophobicContact CD2-CD2 4.41Å; A71-L74 WeakPolarHBondContact O-CB 3.38Å; A71-L74 PolarHBondContact O-N 3.16Å; L74-A77 PolarHBondContact O-N 3.16Å; L74-W78 PolarHBondContact O-N 3.04Å; L74-W78 VanDerWaalsContact O-N 3.11Å; L74-P103 HydrophobicContact CD2-CB 4.37Å; L74-P103 HydrophobicContact CD2-CG 4.07Å; L74-F109 HydrophobicContact CG-CE2 4.47Å; L74-V110 HydrophobicContact CD2-CG2 4.22Å
75	Y	98.6	Very high	96.6	Very high	1 Å²	1	15.3 Å²	15.3	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-64.6	-43.1	176.5	-51.2	-30.1	0	0	0	111.3	A71 P72 I73 A77 W78 A79 F84 L92 L99 E100 H102 L107 F109	A71-Y75 HydrophobicContact CB-CD2 4.44Å; A71-Y75 HydrophobicContact CB-CE1 4.3Å; A71-Y75 HydrophobicContact CB-CE2 3.66Å; A71-Y75 WeakPolarHBondContact O-CD2 3.2Å; A71-Y75 PolarHBondContact O-N 3.48Å; P72-Y75 PolarHBondContact O-N 3.25Å; I73-Y75 VanDerWaalsContact C-N 3.34Å; Y75-A77 VanDerWaalsContact C-N 3.28Å; Y75-A77 PolarHBondContact O-N 3.36Å; Y75-W78 PolarHBondContact O-N 3.38Å; Y75-A79 PolarHBondContact O-N 2.96Å; Y75-F84 WeakPolarHBondContact O-CZ 3.18Å; Y75-L92 HydrophobicContact CD2-CD1 3.91Å; Y75-L92 HydrophobicContact CE2-CD1 3.71Å; Y75-L99 HydrophobicContact CD1-CD2 3.89Å; Y75-L99 HydrophobicContact CD2-CB 4.15Å; Y75-L99 HydrophobicContact CD2-CD2 3.98Å; Y75-L99 HydrophobicContact CE1-CD2 4.27Å; Y75-L99 HydrophobicContact CE2-CB 4.11Å; Y75-L99 HydrophobicContact CE2-CD2 4.34Å; Y75-L99 HydrophobicContact CG-CD2 3.74Å; Y75-E100 WeakPolarHBondContact CE2-O 3.22Å; Y75-E100 PolarHBondContact OH-N 2.7Å; Y75-E100 PolarHBondContact OH-O 3.43Å; Y75-H102 PolarHBondContact OH-O 3.21Å; Y75-H102 VanDerWaalsContact OH-O 3.05Å; Y75-L107 HydrophobicContact CD1-CD1 4.06Å; Y75-L107 HydrophobicContact CE1-CD1 3.37Å; Y75-F109 AromaticContact CD1-CE2 3.94Å; Y75-F109 HydrophobicContact CD1-CE2 3.94Å; Y75-F109 HydrophobicContact CD1-CZ 4.07Å; Y75-F109 HydrophobicContact CE1-CE2 4.27Å
76	A	97.8	Very high	96.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-37.7	175.2	0	0	0	0	0	112.2	L14 N17 P72 I73 A79 Q80 L89	L14-A76 VanDerWaalsContact CD2-C 3.41Å; L14-A76 HydrophobicContact CD2-CB 3.76Å; L14-A76 WeakPolarHBondContact CD2-O 3.15Å; N17-A76 HydrophobicContact CB-CB 3.87Å; P72-A76 WeakPolarHBondContact O-CB 3.48Å; P72-A76 PolarHBondContact O-N 3.35Å; I73-A76 PolarHBondContact O-N 2.94Å; A76-A79 PolarHBondContact O-N 3.34Å; A76-Q80 VanDerWaalsContact O-CB 3.24Å; A76-Q80 WeakPolarHBondContact O-CB 3.21Å; A76-Q80 PolarHBondContact O-N 2.98Å; A76-L89 HydrophobicContact CB-CD1 4.29Å
77	A	97.1	Very high	96.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-42.2	176.9	0	0	0	0	0	112	L14 M40 F44 I73 L74 Y75 Q80 V81	L14-A77 HydrophobicContact CD2-CB 4.16Å; M40-A77 HydrophobicContact CE-CB 4.08Å; F44-A77 HydrophobicContact CB-CB 4.47Å; F44-A77 HydrophobicContact CD1-CB 3.72Å; F44-A77 HydrophobicContact CD2-CB 4.22Å; F44-A77 HydrophobicContact CE1-CB 3.98Å; F44-A77 HydrophobicContact CE2-CB 4.47Å; F44-A77 HydrophobicContact CG-CB 3.86Å; F44-A77 HydrophobicContact CZ-CB 4.36Å; I73-A77 WeakPolarHBondContact O-CB 3.44Å; I73-A77 PolarHBondContact O-N 3.02Å; L74-A77 PolarHBondContact O-N 3.16Å; Y75-A77 VanDerWaalsContact C-N 3.28Å; Y75-A77 PolarHBondContact O-N 3.36Å; A77-Q80 WeakPolarHBondContact O-CB 3.43Å; A77-Q80 PolarHBondContact O-N 3.33Å; A77-V81 PolarHBondContact O-N 3.41Å
78	W	96.6	Very high	96.3	Very high	12 Å²	12	24.9 Å²	24.9	5%	0.045	15%	0.15	C	C	.	.	H	α-helix	trans	-69.1	-36.3	175.4	-81	103	0	0	0	113.5	F44 Y50 P55 L74 Y75 Q80 V81 G82 L83 F84 F109	F44-W78 AromaticContact CE1-CD1 3.87Å; F44-W78 HydrophobicContact CE1-CD2 4.41Å; F44-W78 AromaticContact CE1-CE2 3.82Å; F44-W78 HydrophobicContact CE1-CG 4.42Å; F44-W78 HydrophobicContact CE1-CZ2 4.35Å; F44-W78 AromaticContact CE1-NE1 3.47Å; Y50-W78 AromaticContact CD2-CH2 3.56Å; Y50-W78 HydrophobicContact CD2-CH2 3.56Å; Y50-W78 HydrophobicContact CD2-CZ2 4.3Å; Y50-W78 HydrophobicContact CD2-CZ3 4.03Å; Y50-W78 HydrophobicContact CE2-CE3 4.49Å; Y50-W78 AromaticContact CE2-CH2 3.63Å; Y50-W78 HydrophobicContact CE2-CH2 3.63Å; Y50-W78 HydrophobicContact CE2-CZ2 4.18Å; Y50-W78 AromaticContact CE2-CZ3 3.82Å; Y50-W78 HydrophobicContact CE2-CZ3 3.82Å; P55-W78 HydrophobicContact CB-CH2 3.72Å; P55-W78 HydrophobicContact CB-CZ2 4.46Å; P55-W78 HydrophobicContact CB-CZ3 3.93Å; P55-W78 HydrophobicContact CG-CH2 4.16Å; P55-W78 HydrophobicContact CG-CZ3 3.84Å; L74-W78 PolarHBondContact O-N 3.04Å; L74-W78 VanDerWaalsContact O-N 3.11Å; Y75-W78 PolarHBondContact O-N 3.38Å; W78-Q80 VanDerWaalsContact C-N 3.35Å; W78-V81 HydrophobicContact CE3-CG2 4.01Å; W78-V81 WeakPolarHBondContact O-CG2 3.43Å; W78-V81 PolarHBondContact O-N 3.46Å; W78-G82 PolarHBondContact O-N 2.88Å; W78-L83 HydrophobicContact CB-CD2 4.32Å; W78-L83 HydrophobicContact CD2-CD2 4.1Å; W78-L83 HydrophobicContact CE3-CB 3.92Å; W78-L83 HydrophobicContact CE3-CD2 3.56Å; W78-L83 HydrophobicContact CE3-CG 4.3Å; W78-L83 HydrophobicContact CG-CD2 4.43Å; W78-L83 HydrophobicContact CZ3-CD2 4.17Å; W78-L83 WeakPolarHBondContact O-CB 3.45Å; W78-L83 PolarHBondContact O-N 3.03Å; W78-L83 VanDerWaalsContact O-N 3.13Å; W78-F84 HydrophobicContact CB-CE1 3.92Å; W78-F84 HydrophobicContact CB-CZ 4.36Å; W78-F109 HydrophobicContact CB-CE2 4.49Å; W78-F109 HydrophobicContact CB-CZ 4.42Å; W78-F109 AromaticContact CD1-CD2 3.22Å; W78-F109 AromaticContact CD1-CE2 3.61Å; W78-F109 AromaticContact CD1-CG 3.69Å; W78-F109 HydrophobicContact CD2-CB 3.69Å; W78-F109 HydrophobicContact CD2-CD1 4.31Å; W78-F109 HydrophobicContact CD2-CD2 4.17Å; W78-F109 AromaticContact CD2-CG 3.82Å; W78-F109 HydrophobicContact CD2-CG 3.82Å; W78-F109 AromaticContact CE2-CD2 3.95Å; W78-F109 AromaticContact CE2-CG 3.74Å; W78-F109 HydrophobicContact CE3-CB 4.16Å; W78-F109 HydrophobicContact CG-CB 4.22Å; W78-F109 HydrophobicContact CG-CD1 4.22Å; W78-F109 AromaticContact CG-CD2 3.78Å; W78-F109 HydrophobicContact CG-CD2 3.78Å; W78-F109 HydrophobicContact CG-CE1 4.49Å; W78-F109 HydrophobicContact CG-CE2 4.1Å; W78-F109 AromaticContact CG-CG 3.82Å; W78-F109 HydrophobicContact CG-CG 3.82Å; W78-F109 HydrophobicContact CG-CZ 4.42Å; W78-F109 HydrophobicContact CH2-CB 3.89Å; W78-F109 HydrophobicContact CZ2-CB 3.41Å; W78-F109 VanDerWaalsContact CZ2-CB 3.41Å; W78-F109 HydrophobicContact CZ2-CG 4.37Å; W78-F109 HydrophobicContact CZ3-CB 4.22Å; W78-F109 AromaticContact NE1-CD2 3.31Å; W78-F109 VanDerWaalsContact NE1-CD2 3.31Å; W78-F109 AromaticContact NE1-CG 3.61Å
79	A	95.4	Very high	96.4	Very high	6 Å²	6	25.1 Å²	25.1	5%	0.05	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-42.1	171.2	0	0	0	0	0	111.5	Y75 A76 V81 G82 F84 L89	Y75-A79 PolarHBondContact O-N 2.96Å; A76-A79 PolarHBondContact O-N 3.34Å; A79-V81 VanDerWaalsContact C-N 3.29Å; A79-V81 PolarHBondContact O-N 3.43Å; A79-G82 WeakPolarHBondContact O-CA 3.26Å; A79-G82 PolarHBondContact O-N 3.05Å; A79-F84 WeakPolarHBondContact CA-O 3.46Å; A79-F84 HydrophobicContact CB-CD2 4.05Å; A79-F84 HydrophobicContact CB-CE2 3.63Å; A79-F84 HydrophobicContact CB-CZ 4.13Å; A79-L89 HydrophobicContact CB-CD1 3.94Å; A79-L89 HydrophobicContact CB-CD2 4.24Å; A79-L89 HydrophobicContact CB-CG 4.2Å
80	Q	93.7	Very high	96.5	Very high	16 Å²	16	27.2 Å²	27.2	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-33.4	-179.7	177.6	60.9	70.7	0	0	113	V10 R13 L14 A76 A77 W78 G82	V10-Q80 HydrophobicContact CG1-CG 3.92Å; R13-Q80 VanDerWaalsContact CD-OE1 3.28Å; L14-Q80 HydrophobicContact CD2-CB 4.24Å; A76-Q80 VanDerWaalsContact O-CB 3.24Å; A76-Q80 WeakPolarHBondContact O-CB 3.21Å; A76-Q80 PolarHBondContact O-N 2.98Å; A77-Q80 WeakPolarHBondContact O-CB 3.43Å; A77-Q80 PolarHBondContact O-N 3.33Å; W78-Q80 VanDerWaalsContact C-N 3.35Å; Q80-G82 VanDerWaalsContact C-N 3.27Å
81	V	93.2	Very high	96.5	Very high	14 Å²	14	29.3 Å²	29.3	9%	0.085	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	6.6	174.4	-57.8	0	0	0	0	113.4	L45 Y50 P52 A77 W78 A79	L45-V81 HydrophobicContact CD1-CG1 4.24Å; Y50-V81 HydrophobicContact CE2-CG2 4.37Å; P52-V81 HydrophobicContact CB-CB 4.44Å; P52-V81 HydrophobicContact CB-CG2 4.12Å; P52-V81 HydrophobicContact CG-CB 4.14Å; P52-V81 HydrophobicContact CG-CG2 4.16Å; A77-V81 PolarHBondContact O-N 3.41Å; W78-V81 HydrophobicContact CE3-CG2 4.01Å; W78-V81 WeakPolarHBondContact O-CG2 3.43Å; W78-V81 PolarHBondContact O-N 3.46Å; A79-V81 VanDerWaalsContact C-N 3.29Å; A79-V81 PolarHBondContact O-N 3.43Å
82	G	91.9	Very high	96.5	Very high	60 Å²	60	29.4 Å²	29.4	62%	0.619	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.1	16.4	168.5	0	0	0	0	0	115.7	W78 A79 Q80 F84	W78-G82 PolarHBondContact O-N 2.88Å; A79-G82 WeakPolarHBondContact O-CA 3.26Å; A79-G82 PolarHBondContact O-N 3.05Å; Q80-G82 VanDerWaalsContact C-N 3.27Å; G82-F84 VanDerWaalsContact C-N 3.28Å; G82-F84 PolarHBondContact O-N 3.42Å
83	L	93.8	Very high	96.5	Very high	51 Å²	51	33.4 Å²	33.4	27%	0.267	19%	0.189	S	C	.	.	S	Bend	trans	-64.2	-36.3	176.1	176	65.2	0	0	0	111.9	P52 P55 W78 F109	P52-L83 WeakPolarHBondContact O-CD1 3.38Å; P55-L83 HydrophobicContact CG-CD1 3.81Å; P55-L83 HydrophobicContact CG-CD2 3.97Å; W78-L83 HydrophobicContact CB-CD2 4.32Å; W78-L83 HydrophobicContact CD2-CD2 4.1Å; W78-L83 HydrophobicContact CE3-CB 3.92Å; W78-L83 HydrophobicContact CE3-CD2 3.56Å; W78-L83 HydrophobicContact CE3-CG 4.3Å; W78-L83 HydrophobicContact CG-CD2 4.43Å; W78-L83 HydrophobicContact CZ3-CD2 4.17Å; W78-L83 WeakPolarHBondContact O-CB 3.45Å; W78-L83 PolarHBondContact O-N 3.03Å; W78-L83 VanDerWaalsContact O-N 3.13Å; L83-F109 HydrophobicContact CD2-CB 4.43Å; L83-F109 HydrophobicContact CD2-CD1 3.24Å; L83-F109 HydrophobicContact CD2-CE1 3.69Å; L83-F109 HydrophobicContact CD2-CG 4.14Å
84	F	95.1	Very high	96.5	Very high	37 Å²	37	38.2 Å²	38.2	16%	0.162	21%	0.21	C	C	.	.	S	Bend	trans	-151.6	158.2	176.1	56.8	-100.3	0	0	0	109.6	Y75 W78 A79 G82 E88 L89 L99 F109	Y75-F84 WeakPolarHBondContact O-CZ 3.18Å; W78-F84 HydrophobicContact CB-CE1 3.92Å; W78-F84 HydrophobicContact CB-CZ 4.36Å; A79-F84 WeakPolarHBondContact CA-O 3.46Å; A79-F84 HydrophobicContact CB-CD2 4.05Å; A79-F84 HydrophobicContact CB-CE2 3.63Å; A79-F84 HydrophobicContact CB-CZ 4.13Å; G82-F84 VanDerWaalsContact C-N 3.28Å; G82-F84 PolarHBondContact O-N 3.42Å; F84-E88 HydrophobicContact CD2-CB 3.83Å; F84-E88 HydrophobicContact CD2-CG 4.4Å; F84-E88 HydrophobicContact CE2-CB 4.31Å; F84-L89 HydrophobicContact CE2-CD2 3.71Å; F84-L89 HydrophobicContact CE2-CG 4.24Å; F84-L89 HydrophobicContact CZ-CD2 4.13Å; F84-L99 HydrophobicContact CZ-CD2 4.32Å; F84-F109 HydrophobicContact CD1-CE1 4.43Å; F84-F109 AromaticContact CE1-CE1 3.78Å; F84-F109 HydrophobicContact CE1-CE1 3.78Å; F84-F109 AromaticContact CE1-CZ 3.97Å; F84-F109 HydrophobicContact CE1-CZ 3.97Å
85	P	95.1	Very high	96.4	Very high	79 Å²	79	45.7 Å²	45.7	51%	0.513	25%	0.248	S	C	.	.			trans	-70.8	147.4	-175.4	26.7	-31.1	0	0	0	112	S87 E88	P85-S87 PolarHBondContact O-N 3.47Å; P85-E88 HydrophobicContact CG-CG 4.03Å; P85-E88 WeakPolarHBondContact O-CB 3.4Å; P85-E88 PolarHBondContact O-N 3.41Å
86	E	94.9	Very high	96.2	Very high	57 Å²	57	53.3 Å²	53.3	27%	0.266	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-55.1	-26.9	-179.4	-64	-172.6	152.8	0	0	113.6	N17 E88 L89	N17-E86 PolarHBondContact ND2-OE1 2.85Å; N17-E86 VanDerWaalsContact ND2-OE1 3.14Å; E86-E88 PolarHBondContact O-N 3.47Å; E86-L89 VanDerWaalsContact O-CB 3.27Å; E86-L89 WeakPolarHBondContact O-CB 3.43Å; E86-L89 WeakPolarHBondContact O-CG 3.29Å; E86-L89 PolarHBondContact O-N 2.95Å; E86-L89 VanDerWaalsContact O-N 3.11Å
87	S	97.2	Very high	96.2	Very high	72 Å²	72	54.2 Å²	54.2	50%	0.503	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-60.4	-29.2	176.4	53.5	0	0	0	0	113.4	P85 L89 L90	P85-S87 PolarHBondContact O-N 3.47Å; S87-L89 PolarHBondContact O-N 2.91Å; S87-L90 WeakPolarHBondContact O-CB 3.46Å; S87-L90 WeakPolarHBondContact O-CG 3.29Å; S87-L90 PolarHBondContact O-N 3.17Å
88	E	97.7	Very high	96.2	Very high	78 Å²	78	57.5 Å²	57.5	36%	0.364	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-65.3	-24.9	176.8	-70.5	-55.4	134.4	0	0	112.4	F84 P85 E86 L90 N91 L99	F84-E88 HydrophobicContact CD2-CB 3.83Å; F84-E88 HydrophobicContact CD2-CG 4.4Å; F84-E88 HydrophobicContact CE2-CB 4.31Å; P85-E88 HydrophobicContact CG-CG 4.03Å; P85-E88 WeakPolarHBondContact O-CB 3.4Å; P85-E88 PolarHBondContact O-N 3.41Å; E86-E88 PolarHBondContact O-N 3.47Å; E88-L90 PolarHBondContact O-N 3.14Å; E88-L90 VanDerWaalsContact O-N 3.08Å; E88-N91 VanDerWaalsContact O-CB 3.27Å; E88-N91 WeakPolarHBondContact O-CB 3.37Å; E88-N91 PolarHBondContact O-N 2.88Å; E88-N91 PolarHBondContact OE2-ND2 3.48Å; E88-L99 VanDerWaalsContact O-CD1 3.26Å; E88-L99 WeakPolarHBondContact O-CD1 3.48Å
89	L	98.4	Very high	96.3	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-61	-22.3	177.6	-60.3	174.2	0	0	0	112.4	N17 A21 A76 A79 F84 E86 S87 N91 L92 L99	N17-L89 HydrophobicContact CB-CD1 3.71Å; A21-L89 HydrophobicContact CB-CB 4.22Å; A21-L89 VanDerWaalsContact CB-O 3.24Å; A21-L89 WeakPolarHBondContact CB-O 3.29Å; A76-L89 HydrophobicContact CB-CD1 4.29Å; A79-L89 HydrophobicContact CB-CD1 3.94Å; A79-L89 HydrophobicContact CB-CD2 4.24Å; A79-L89 HydrophobicContact CB-CG 4.2Å; F84-L89 HydrophobicContact CE2-CD2 3.71Å; F84-L89 HydrophobicContact CE2-CG 4.24Å; F84-L89 HydrophobicContact CZ-CD2 4.13Å; E86-L89 VanDerWaalsContact O-CB 3.27Å; E86-L89 WeakPolarHBondContact O-CB 3.43Å; E86-L89 WeakPolarHBondContact O-CG 3.29Å; E86-L89 PolarHBondContact O-N 2.95Å; E86-L89 VanDerWaalsContact O-N 3.11Å; S87-L89 PolarHBondContact O-N 2.91Å; L89-N91 PolarHBondContact O-N 3.34Å; L89-L92 WeakPolarHBondContact O-CB 3.45Å; L89-L92 PolarHBondContact O-N 3.27Å; L89-L99 HydrophobicContact CD2-CD1 4.48Å
90	L	98.3	Very high	96.4	Very high	74 Å²	74	59.7 Å²	59.7	39%	0.387	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-73.9	-4.6	174.6	-52.8	-179.2	0	0	0	113.1	K20 A24 S87 E88 K94	K20-L90 HydrophobicContact CB-CD2 4.12Å; A24-L90 HydrophobicContact CB-CB 4.19Å; A24-L90 HydrophobicContact CB-CD2 3.98Å; S87-L90 WeakPolarHBondContact O-CB 3.46Å; S87-L90 WeakPolarHBondContact O-CG 3.29Å; S87-L90 PolarHBondContact O-N 3.17Å; E88-L90 PolarHBondContact O-N 3.14Å; E88-L90 VanDerWaalsContact O-N 3.08Å; L90-K94 WeakPolarHBondContact O-CE 3.46Å; L90-K94 PolarHBondContact O-NZ 2.75Å
91	N	98.3	Very high	96.6	Very high	44 Å²	44	59.7 Å²	59.7	24%	0.235	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-93.5	4.6	174.1	-62.7	-36.7	0	0	0	113.4	E88 L89 R93 K94 S97	E88-N91 VanDerWaalsContact O-CB 3.27Å; E88-N91 WeakPolarHBondContact O-CB 3.37Å; E88-N91 PolarHBondContact O-N 2.88Å; E88-N91 PolarHBondContact OE2-ND2 3.48Å; L89-N91 PolarHBondContact O-N 3.34Å; N91-R93 PolarHBondContact O-N 3.18Å; N91-K94 HydrophobicContact CB-CD 4.24Å; N91-K94 WeakPolarHBondContact O-CB 3.44Å; N91-K94 WeakPolarHBondContact O-CG 3.42Å; N91-K94 PolarHBondContact O-N 3.34Å; N91-K94 VanDerWaalsContact O-N 3.12Å; N91-K94 PolarHBondContact OD1-NZ 3.09Å; N91-S97 WeakPolarHBondContact O-CB 3.38Å; N91-S97 PolarHBondContact O-OG 2.78Å
92	L	98.5	Very high	96.8	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	130.4	174.1	-179.1	73.9	0	0	0	111.7	A21 T22 A25 P72 Y75 L89 K94 L99 E100	A21-L92 HydrophobicContact CB-CB 4.28Å; A21-L92 HydrophobicContact CB-CD2 3.98Å; T22-L92 HydrophobicContact CG2-CD2 3.92Å; A25-L92 HydrophobicContact CB-CB 4.23Å; A25-L92 HydrophobicContact CB-CD2 4.04Å; A25-L92 HydrophobicContact CB-CG 4.18Å; A25-L92 WeakPolarHBondContact CB-O 3.27Å; P72-L92 HydrophobicContact CB-CD2 4.43Å; P72-L92 HydrophobicContact CG-CD1 4.25Å; P72-L92 HydrophobicContact CG-CD2 3.88Å; Y75-L92 HydrophobicContact CD2-CD1 3.91Å; Y75-L92 HydrophobicContact CE2-CD1 3.71Å; L89-L92 WeakPolarHBondContact O-CB 3.45Å; L89-L92 PolarHBondContact O-N 3.27Å; L92-K94 PolarHBondContact O-N 3.29Å; L92-K94 VanDerWaalsContact O-N 3.13Å; L92-L99 CarbonylContact C-O 3.54Å; L92-L99 WeakPolarHBondContact CA-O 3.28Å; L92-L99 WeakPolarHBondContact CD1-O 3.49Å; L92-E100 WeakPolarHBondContact CD1-O 3.44Å
93	R	97.7	Very high	97.1	Very high	89 Å²	89	59.7 Å²	59.7	34%	0.336	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	13.9	177.7	-65.8	170.9	178.4	-150.1	-5.6	115.3	A25 S27 N91 L99	A25-R93 HydrophobicContact CB-CB 4.33Å; S27-R93 VanDerWaalsContact CB-NH1 3.31Å; S27-R93 VanDerWaalsContact OG-CD 3.27Å; S27-R93 WeakPolarHBondContact OG-CD 3.25Å; S27-R93 PolarHBondContact OG-NH1 3.03Å; N91-R93 PolarHBondContact O-N 3.18Å; R93-L99 PolarHBondContact N-O 3.34Å
94	K	97.6	Very high	97.3	Very high	101 Å²	101	57.3 Å²	57.3	44%	0.439	30%	0.298	S	S	.	.			trans	-77.7	145.9	169.6	-63.3	-174.3	-171	164.2	0	110	L90 N91 L92 D96 S97	L90-K94 WeakPolarHBondContact O-CE 3.46Å; L90-K94 PolarHBondContact O-NZ 2.75Å; N91-K94 HydrophobicContact CB-CD 4.24Å; N91-K94 WeakPolarHBondContact O-CB 3.44Å; N91-K94 WeakPolarHBondContact O-CG 3.42Å; N91-K94 PolarHBondContact O-N 3.34Å; N91-K94 VanDerWaalsContact O-N 3.12Å; N91-K94 PolarHBondContact OD1-NZ 3.09Å; L92-K94 PolarHBondContact O-N 3.29Å; L92-K94 VanDerWaalsContact O-N 3.13Å; K94-D96 PolarHBondContact O-N 3.04Å; K94-S97 PolarHBondContact O-N 3.21Å
95	I	96.5	Very high	97.3	Very high	160 Å²	160	56.3 Å²	56.3	82%	0.821	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.1	-174.2	-170.4	61.7	0	0	0	113.5	S97	I95-S97 VanDerWaalsContact C-N 3.35Å
96	D	95.9	Very high	97.4	Very high	161 Å²	161	57.9 Å²	57.9	86%	0.861	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	14.7	-179.9	-54.9	-52.6	0	0	0	113.1	K94	K94-D96 PolarHBondContact O-N 3.04Å
97	S	97.5	Very high	97.6	Very high	19 Å²	19	55.8 Å²	55.8	13%	0.133	28%	0.282	C	S	.	.			trans	-124.2	133.5	179.9	-172	0	0	0	0	111.7	N91 K94 I95 L99	N91-S97 WeakPolarHBondContact O-CB 3.38Å; N91-S97 PolarHBondContact O-OG 2.78Å; K94-S97 PolarHBondContact O-N 3.21Å; I95-S97 VanDerWaalsContact C-N 3.35Å; S97-L99 PolarHBondContact O-N 3.05Å; S97-L99 PolarHBondContact OG-N 3.14Å
98	D	97.6	Very high	97.5	Very high	70 Å²	70	55.2 Å²	55.2	37%	0.374	28%	0.276	S	S	.	.	S	Bend	trans	-76.3	-3.9	173.6	-68.3	-35.7	0	0	0	113.3	E100 T104 R106 L107	D98-E100 PolarHBondContact O-N 3.09Å; D98-T104 WeakPolarHBondContact O-CG2 3.27Å; D98-R106 HydrophobicContact CB-CB 4.12Å; D98-R106 VanDerWaalsContact OD1-CD 3.23Å; D98-R106 WeakPolarHBondContact OD1-CD 3.37Å; D98-R106 IonicContact OD1-NE 3.97Å; D98-L107 HydrophobicContact CB-CD2 3.66Å; D98-L107 HydrophobicContact CB-CG 3.98Å; D98-L107 WeakPolarHBondContact O-CD1 3.41Å
99	L	98.1	Very high	97.4	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.047	26%	0.262	C	S	.	.			trans	-74.8	79	171.3	-60.3	-175.4	0	0	0	109.5	Y75 F84 E88 L89 L92 R93 S97 L107	Y75-L99 HydrophobicContact CD1-CD2 3.89Å; Y75-L99 HydrophobicContact CD2-CB 4.15Å; Y75-L99 HydrophobicContact CD2-CD2 3.98Å; Y75-L99 HydrophobicContact CE1-CD2 4.27Å; Y75-L99 HydrophobicContact CE2-CB 4.11Å; Y75-L99 HydrophobicContact CE2-CD2 4.34Å; Y75-L99 HydrophobicContact CG-CD2 3.74Å; F84-L99 HydrophobicContact CZ-CD2 4.32Å; E88-L99 VanDerWaalsContact O-CD1 3.26Å; E88-L99 WeakPolarHBondContact O-CD1 3.48Å; L89-L99 HydrophobicContact CD2-CD1 4.48Å; L92-L99 CarbonylContact C-O 3.54Å; L92-L99 WeakPolarHBondContact CA-O 3.28Å; L92-L99 WeakPolarHBondContact CD1-O 3.49Å; R93-L99 PolarHBondContact N-O 3.34Å; S97-L99 PolarHBondContact O-N 3.05Å; S97-L99 PolarHBondContact OG-N 3.14Å; L99-L107 HydrophobicContact CD2-CD1 4.12Å; L99-L107 HydrophobicContact CD2-CD2 3.94Å
100	E	97.7	Very high	97.4	Very high	56 Å²	56	52.2 Å²	52.2	26%	0.262	26%	0.262	S	S	.	.			trans	-86.7	-178.4	-171.3	-72.3	174.7	-168.6	0	0	113.7	Y75 L92 D98 H102 T104 R106	Y75-E100 WeakPolarHBondContact CE2-O 3.22Å; Y75-E100 PolarHBondContact OH-N 2.7Å; Y75-E100 PolarHBondContact OH-O 3.43Å; L92-E100 WeakPolarHBondContact CD1-O 3.44Å; D98-E100 PolarHBondContact O-N 3.09Å; E100-H102 PolarHBondContact O-N 3.24Å; E100-T104 HydrophobicContact CB-CG2 4.43Å; E100-T104 HydrophobicContact CG-CG2 4.32Å; E100-R106 IonicContact OE1-CZ 3.75Å; E100-R106 IonicContact OE1-NE 2.64Å; E100-R106 PolarHBondContact OE1-NE 3.12Å; E100-R106 IonicContact OE1-NH2 2.89Å; E100-R106 PolarHBondContact OE1-NH2 3.4Å; E100-R106 IonicContact OE2-CZ 3.41Å; E100-R106 IonicContact OE2-NH2 3.89Å; E100-R106 PolarHBondContact OE2-NH2 3.31Å
101	G	97	Very high	97.4	Very high	15 Å²	15	49.2 Å²	49.2	16%	0.155	25%	0.246	C	C	.	.	S	Bend	trans	-66.5	-17	175.1	0	0	0	0	0	114.1
102	H	97.9	Very high	97.4	Very high	69 Å²	69	47.3 Å²	47.3	32%	0.319	24%	0.237	S	C	.	.	S	Bend	trans	-143.2	157.3	178.7	-62.8	84.9	0	0	0	109.9	H69 Y75 E100 T104 T114 G115	H69-H102 PolarHBondContact N-CD2 3.34Å; H69-H102 VanDerWaalsContact N-CD2 3.28Å; Y75-H102 PolarHBondContact OH-O 3.21Å; Y75-H102 VanDerWaalsContact OH-O 3.05Å; E100-H102 PolarHBondContact O-N 3.24Å; H102-T104 PolarHBondContact O-N 3.48Å; H102-T114 WeakPolarHBondContact CB-O 3.31Å; H102-G115 VanDerWaalsContact CD2-CA 3.48Å; H102-G115 WeakPolarHBondContact CD2-CA 3.3Å
103	P	98	Very high	97.3	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.032	24%	0.238	C	C	.	.			trans	-53.1	138.1	173.2	-25.7	34.3	0	0	0	112.2	L65 G68 A71 L74 V110 A113 T114	L65-P103 HydrophobicContact CB-CG 4.29Å; L65-P103 HydrophobicContact CD2-CG 4.26Å; G68-P103 VanDerWaalsContact O-CD 3.23Å; G68-P103 WeakPolarHBondContact O-CD 3.46Å; A71-P103 HydrophobicContact CB-CG 4.36Å; L74-P103 HydrophobicContact CD2-CB 4.37Å; L74-P103 HydrophobicContact CD2-CG 4.07Å; P103-V110 HydrophobicContact CB-CG1 3.68Å; P103-V110 HydrophobicContact CB-CG2 4.15Å; P103-A113 VanDerWaalsContact O-CA 3.27Å; P103-A113 WeakPolarHBondContact O-CA 3.39Å; P103-T114 WeakPolarHBondContact CD-OG1 3.38Å; P103-T114 WeakPolarHBondContact CG-OG1 3.05Å; P103-T114 PolarHBondContact O-N 3.09Å
104	T	97.4	Very high	97.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	23%	0.225	C	C	.	.			trans	-138.3	140.3	175.9	174.1	0	0	0	0	110	D98 E100 H102 R106 L107 V110	D98-T104 WeakPolarHBondContact O-CG2 3.27Å; E100-T104 HydrophobicContact CB-CG2 4.43Å; E100-T104 HydrophobicContact CG-CG2 4.32Å; H102-T104 PolarHBondContact O-N 3.48Å; T104-R106 HydrophobicContact CG2-CB 4.12Å; T104-R106 PolarHBondContact O-N 3.33Å; T104-R106 VanDerWaalsContact O-N 3.09Å; T104-R106 PolarHBondContact OG1-N 3.15Å; T104-L107 HydrophobicContact CG2-CD1 4.35Å; T104-L107 HydrophobicContact CG2-CG 4.38Å; T104-L107 WeakPolarHBondContact O-CB 3.15Å; T104-L107 PolarHBondContact O-N 3.35Å; T104-V110 VanDerWaalsContact O-CB 3.27Å; T104-V110 WeakPolarHBondContact O-CB 2.96Å
105	P	97	Very high	97	Very high	17 Å²	17	40.1 Å²	40.1	11%	0.11	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	0.9	179.2	32.6	-39.6	0	0	0	114.3	L107 V110 Q404	P105-L107 PolarHBondContact O-N 3.01Å; P105-V110 WeakPolarHBondContact CA-O 3.18Å; P105-Q404 HydrophobicContact CG-CB 4.21Å; P105-Q404 HydrophobicContact CG-CG 3.92Å
106	R	96.6	Very high	96.9	Very high	111 Å²	111	34.5 Å²	34.5	42%	0.419	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-33	162.6	-70.3	-174.1	-81.5	-81.5	8.1	111.2	D98 E100 T104	D98-R106 HydrophobicContact CB-CB 4.12Å; D98-R106 VanDerWaalsContact OD1-CD 3.23Å; D98-R106 WeakPolarHBondContact OD1-CD 3.37Å; D98-R106 IonicContact OD1-NE 3.97Å; E100-R106 IonicContact OE1-CZ 3.75Å; E100-R106 IonicContact OE1-NE 2.64Å; E100-R106 PolarHBondContact OE1-NE 3.12Å; E100-R106 IonicContact OE1-NH2 2.89Å; E100-R106 PolarHBondContact OE1-NH2 3.4Å; E100-R106 IonicContact OE2-CZ 3.41Å; E100-R106 IonicContact OE2-NH2 3.89Å; E100-R106 PolarHBondContact OE2-NH2 3.31Å; T104-R106 HydrophobicContact CG2-CB 4.12Å; T104-R106 PolarHBondContact O-N 3.33Å; T104-R106 VanDerWaalsContact O-N 3.09Å; T104-R106 PolarHBondContact OG1-N 3.15Å
107	L	97.7	Very high	96.9	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.073	17%	0.166	C	C	.	.	S	Bend	trans	-79.1	124.7	170.9	-63.3	167.1	0	0	0	109.4	Y75 D98 L99 T104 P105 F109 V110	Y75-L107 HydrophobicContact CD1-CD1 4.06Å; Y75-L107 HydrophobicContact CE1-CD1 3.37Å; D98-L107 HydrophobicContact CB-CD2 3.66Å; D98-L107 HydrophobicContact CB-CG 3.98Å; D98-L107 WeakPolarHBondContact O-CD1 3.41Å; L99-L107 HydrophobicContact CD2-CD1 4.12Å; L99-L107 HydrophobicContact CD2-CD2 3.94Å; T104-L107 HydrophobicContact CG2-CD1 4.35Å; T104-L107 HydrophobicContact CG2-CG 4.38Å; T104-L107 WeakPolarHBondContact O-CB 3.15Å; T104-L107 PolarHBondContact O-N 3.35Å; P105-L107 PolarHBondContact O-N 3.01Å; L107-F109 HydrophobicContact CB-CD1 4.16Å; L107-F109 HydrophobicContact CB-CD2 4.39Å; L107-F109 HydrophobicContact CB-CE1 3.81Å; L107-F109 HydrophobicContact CB-CE2 4.02Å; L107-F109 HydrophobicContact CB-CG 4.47Å; L107-F109 HydrophobicContact CB-CZ 3.75Å; L107-F109 HydrophobicContact CD1-CE1 4.47Å; L107-F109 HydrophobicContact CD1-CE2 3.93Å; L107-F109 HydrophobicContact CD1-CZ 3.67Å; L107-F109 HydrophobicContact CD2-CE1 3.95Å; L107-F109 HydrophobicContact CD2-CZ 3.88Å; L107-F109 HydrophobicContact CG-CE1 4.29Å; L107-F109 HydrophobicContact CG-CE2 4.48Å; L107-F109 HydrophobicContact CG-CZ 3.97Å; L107-F109 PolarHBondContact O-N 3.25Å; L107-V110 HydrophobicContact CB-CB 4.35Å; L107-V110 HydrophobicContact CB-CG2 3.95Å; L107-V110 HydrophobicContact CD1-CG2 4.25Å; L107-V110 PolarHBondContact O-N 3.02Å
108	P	95.6	Very high	96.9	Very high	60 Å²	60	28.9 Å²	28.9	39%	0.39	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.9	-172.1	24.2	-34.5	0	0	0	113.7	R56	R56-P108 HydrophobicContact CG-CB 4.32Å; R56-P108 WeakPolarHBondContact CG-O 3.28Å
109	F	96.5	Very high	96.9	Very high	13 Å²	13	25.9 Å²	25.9	6%	0.057	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.4	178.8	53.7	-94.5	0	0	0	114.8	P55 L74 Y75 W78 L83 F84 L107	P55-F109 HydrophobicContact CB-CB 3.71Å; P55-F109 HydrophobicContact CG-CB 4.35Å; L74-F109 HydrophobicContact CG-CE2 4.47Å; Y75-F109 AromaticContact CD1-CE2 3.94Å; Y75-F109 HydrophobicContact CD1-CE2 3.94Å; Y75-F109 HydrophobicContact CD1-CZ 4.07Å; Y75-F109 HydrophobicContact CE1-CE2 4.27Å; W78-F109 HydrophobicContact CB-CE2 4.49Å; W78-F109 HydrophobicContact CB-CZ 4.42Å; W78-F109 AromaticContact CD1-CD2 3.22Å; W78-F109 AromaticContact CD1-CE2 3.61Å; W78-F109 AromaticContact CD1-CG 3.69Å; W78-F109 HydrophobicContact CD2-CB 3.69Å; W78-F109 HydrophobicContact CD2-CD1 4.31Å; W78-F109 HydrophobicContact CD2-CD2 4.17Å; W78-F109 AromaticContact CD2-CG 3.82Å; W78-F109 HydrophobicContact CD2-CG 3.82Å; W78-F109 AromaticContact CE2-CD2 3.95Å; W78-F109 AromaticContact CE2-CG 3.74Å; W78-F109 HydrophobicContact CE3-CB 4.16Å; W78-F109 HydrophobicContact CG-CB 4.22Å; W78-F109 HydrophobicContact CG-CD1 4.22Å; W78-F109 AromaticContact CG-CD2 3.78Å; W78-F109 HydrophobicContact CG-CD2 3.78Å; W78-F109 HydrophobicContact CG-CE1 4.49Å; W78-F109 HydrophobicContact CG-CE2 4.1Å; W78-F109 AromaticContact CG-CG 3.82Å; W78-F109 HydrophobicContact CG-CG 3.82Å; W78-F109 HydrophobicContact CG-CZ 4.42Å; W78-F109 HydrophobicContact CH2-CB 3.89Å; W78-F109 HydrophobicContact CZ2-CB 3.41Å; W78-F109 VanDerWaalsContact CZ2-CB 3.41Å; W78-F109 HydrophobicContact CZ2-CG 4.37Å; W78-F109 HydrophobicContact CZ3-CB 4.22Å; W78-F109 AromaticContact NE1-CD2 3.31Å; W78-F109 VanDerWaalsContact NE1-CD2 3.31Å; W78-F109 AromaticContact NE1-CG 3.61Å; L83-F109 HydrophobicContact CD2-CB 4.43Å; L83-F109 HydrophobicContact CD2-CD1 3.24Å; L83-F109 HydrophobicContact CD2-CE1 3.69Å; L83-F109 HydrophobicContact CD2-CG 4.14Å; F84-F109 HydrophobicContact CD1-CE1 4.43Å; F84-F109 AromaticContact CE1-CE1 3.78Å; F84-F109 HydrophobicContact CE1-CE1 3.78Å; F84-F109 AromaticContact CE1-CZ 3.97Å; F84-F109 HydrophobicContact CE1-CZ 3.97Å; L107-F109 HydrophobicContact CB-CD1 4.16Å; L107-F109 HydrophobicContact CB-CD2 4.39Å; L107-F109 HydrophobicContact CB-CE1 3.81Å; L107-F109 HydrophobicContact CB-CE2 4.02Å; L107-F109 HydrophobicContact CB-CG 4.47Å; L107-F109 HydrophobicContact CB-CZ 3.75Å; L107-F109 HydrophobicContact CD1-CE1 4.47Å; L107-F109 HydrophobicContact CD1-CE2 3.93Å; L107-F109 HydrophobicContact CD1-CZ 3.67Å; L107-F109 HydrophobicContact CD2-CE1 3.95Å; L107-F109 HydrophobicContact CD2-CZ 3.88Å; L107-F109 HydrophobicContact CG-CE1 4.29Å; L107-F109 HydrophobicContact CG-CE2 4.48Å; L107-F109 HydrophobicContact CG-CZ 3.97Å; L107-F109 PolarHBondContact O-N 3.25Å
110	V	98.2	Very high	96.9	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.036	14%	0.142	C	C	.	.			trans	-106.8	120.8	177.1	176.5	0	0	0	0	108.7	L74 P103 T104 P105 L107 V112	L74-V110 HydrophobicContact CD2-CG2 4.22Å; P103-V110 HydrophobicContact CB-CG1 3.68Å; P103-V110 HydrophobicContact CB-CG2 4.15Å; T104-V110 VanDerWaalsContact O-CB 3.27Å; T104-V110 WeakPolarHBondContact O-CB 2.96Å; P105-V110 WeakPolarHBondContact CA-O 3.18Å; L107-V110 HydrophobicContact CB-CB 4.35Å; L107-V110 HydrophobicContact CB-CG2 3.95Å; L107-V110 HydrophobicContact CD1-CG2 4.25Å; L107-V110 PolarHBondContact O-N 3.02Å; V110-V112 WeakPolarHBondContact CG1-O 3.26Å
111	D	97.5	Very high	97	Very high	11 Å²	11	22.9 Å²	22.9	6%	0.059	13%	0.13	C	C	.	.	S	Bend	trans	-84.5	-26	-179.2	-72.9	-46.1	0	0	0	113.3	M127 T375 R376	D111-M127 HydrophobicContact CB-CE 3.58Å; D111-T375 HydrophobicContact CB-CG2 4.43Å; D111-R376 VanDerWaalsContact CG-NE 3.33Å; D111-R376 VanDerWaalsContact OD1-CG 3.23Å; D111-R376 WeakPolarHBondContact OD1-CG 3.27Å; D111-R376 IonicContact OD1-CZ 2.85Å; D111-R376 IonicContact OD1-NE 3.75Å; D111-R376 PolarHBondContact OD1-NE 3.42Å; D111-R376 IonicContact OD1-NH2 3.89Å; D111-R376 PolarHBondContact OD1-NH2 3.39Å; D111-R376 IonicContact OD2-CZ 3.11Å; D111-R376 IonicContact OD2-NE 2.54Å; D111-R376 PolarHBondContact OD2-NE 3.3Å; D111-R376 VanDerWaalsContact OD2-NE 3.15Å; D111-R376 IonicContact OD2-NH2 2.69Å; D111-R376 PolarHBondContact OD2-NH2 3.48Å
112	V	98.1	Very high	97.1	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.03	12%	0.123	C	C	.	.	S	Bend	trans	-145	151.2	-179.9	-70	0	0	0	0	111.7	V64 V110 T114 I123 M127 I371 T375	V64-V112 HydrophobicContact CG1-CG2 4.17Å; V64-V112 HydrophobicContact CG2-CG2 4.35Å; V110-V112 WeakPolarHBondContact CG1-O 3.26Å; V112-T114 HydrophobicContact CG2-CG2 4.24Å; V112-I123 HydrophobicContact CB-CD1 4.37Å; V112-I123 HydrophobicContact CB-CG2 4.25Å; V112-I123 HydrophobicContact CG1-CD1 4.4Å; V112-I123 HydrophobicContact CG1-CG2 3.57Å; V112-I123 HydrophobicContact CG2-CD1 4.26Å; V112-I123 HydrophobicContact CG2-CG2 3.87Å; V112-M127 HydrophobicContact CG1-CE 4.08Å; V112-M127 HydrophobicContact CG2-CE 4.43Å; V112-I371 HydrophobicContact CG1-CG2 4.06Å; V112-T375 HydrophobicContact CG1-CG2 3.61Å
113	A	98	Very high	97.1	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.033	11%	0.109	C	C	.	.			trans	-75.5	136.9	167.2	0	0	0	0	0	109.9	P103 M399 I402 S403	P103-A113 VanDerWaalsContact O-CA 3.27Å; P103-A113 WeakPolarHBondContact O-CA 3.39Å; A113-M399 HydrophobicContact CB-CE 4.13Å; A113-M399 WeakPolarHBondContact O-CE 3.24Å; A113-I402 HydrophobicContact CB-CB 4.07Å; A113-I402 HydrophobicContact CB-CG2 3.49Å; A113-I402 VanDerWaalsContact CB-CG2 3.49Å; A113-S403 PolarHBondContact N-OG 3.14Å; A113-S403 PolarHBondContact O-OG 3.17Å
114	T	96.5	Very high	97.2	Very high	10 Å²	10	18.9 Å²	18.9	6%	0.061	11%	0.107	C	C	.	.			trans	-120.3	159.2	170.5	61.9	0	0	0	0	109.1	V64 L65 G68 H102 P103 V112	V64-T114 HydrophobicContact CG1-CG2 4.2Å; L65-T114 VanDerWaalsContact O-CB 3.32Å; L65-T114 WeakPolarHBondContact O-CB 3.47Å; L65-T114 VanDerWaalsContact O-CG2 3.29Å; L65-T114 WeakPolarHBondContact O-CG2 3.38Å; L65-T114 PolarHBondContact O-OG1 3.38Å; G68-T114 WeakPolarHBondContact CA-OG1 3.34Å; H102-T114 WeakPolarHBondContact CB-O 3.31Å; P103-T114 WeakPolarHBondContact CD-OG1 3.38Å; P103-T114 WeakPolarHBondContact CG-OG1 3.05Å; P103-T114 PolarHBondContact O-N 3.09Å; V112-T114 HydrophobicContact CG2-CG2 4.24Å
115	G	91.3	Very high	97.2	Very high	27 Å²	27	18.8 Å²	18.8	28%	0.278	11%	0.107	S	C	.	.			trans	162.4	-55.3	-177.6	0	0	0	0	0	111.9	H102 L117	H102-G115 VanDerWaalsContact CD2-CA 3.48Å; H102-G115 WeakPolarHBondContact CD2-CA 3.3Å; G115-L117 PolarHBondContact O-N 3.36Å
116	S	95.6	Very high	97.3	Very high	42 Å²	42	18 Å²	18	29%	0.294	10%	0.102	S	C	.	.	S	Bend	trans	-70.3	124.1	157.8	-162.1	0	0	0	0	108.6	D395	S116-D395 WeakPolarHBondContact CB-OD2 3.41Å; S116-D395 PolarHBondContact OG-OD2 3.13Å
117	L	95.9	Very high	97.4	Very high	62 Å²	62	12.8 Å²	12.8	33%	0.325	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	162.5	-175	-62.7	176.3	0	0	0	110.2	G115 E149	G115-L117 PolarHBondContact O-N 3.36Å; L117-E149 HydrophobicContact CB-CB 4.05Å; L117-E149 HydrophobicContact CB-CG 3.91Å; L117-E149 HydrophobicContact CD1-CB 4.2Å; L117-E149 HydrophobicContact CD2-CB 4.28Å; L117-E149 HydrophobicContact CD2-CG 4.43Å; L117-E149 HydrophobicContact CG-CB 4.4Å
118	G	97.2	Very high	97.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	-9.6	174	0	0	0	0	0	114.4	E149 S154	G118-E149 PolarHBondContact N-OE1 2.64Å; G118-S154 PolarHBondContact O-OG 2.8Å
119	Q	97.8	Very high	97.6	Very high	6 Å²	6	9.9 Å²	9.9	3%	0.028	6%	0.062	C	C	.	.			trans	-102.4	-24.1	-169.1	-51.8	-170.9	19.5	0	0	114.5	V121 S122 I123 D395 Q396	Q119-V121 VanDerWaalsContact C-N 3.27Å; Q119-V121 PolarHBondContact O-N 3.25Å; Q119-S122 PolarHBondContact O-N 3.31Å; Q119-I123 HydrophobicContact CB-CD1 4.43Å; Q119-I123 PolarHBondContact O-N 3.39Å; Q119-D395 PolarHBondContact NE2-OD2 3.45Å; Q119-Q396 HydrophobicContact CG-CG 4.05Å
120	G	98.4	Very high	97.8	Very high	2 Å²	2	9.3 Å²	9.3	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-66	-26.7	-169.3	0	0	0	0	0	114	S66 A124 C143	S66-G120 WeakPolarHBondContact OG-CA 3.25Å; S66-G120 PolarHBondContact OG-N 3.15Å; S66-G120 VanDerWaalsContact OG-N 3.09Å; G120-A124 VanDerWaalsContact O-CB 3.22Å; G120-A124 WeakPolarHBondContact O-CB 3.23Å; G120-A124 PolarHBondContact O-N 3.01Å; G120-C143 PolarHBondContact O-SG 3.29Å; G120-C143 VanDerWaalsContact O-SG 3.41Å
121	V	98.8	Very high	97.8	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-70.8	-42.2	175.5	-173.8	0	0	0	0	111.3	Q119 I123 A124 A125 V145 I155 A158 L159 I172	Q119-V121 VanDerWaalsContact C-N 3.27Å; Q119-V121 PolarHBondContact O-N 3.25Å; V121-I123 VanDerWaalsContact C-N 3.32Å; V121-I123 PolarHBondContact O-N 3.45Å; V121-A124 PolarHBondContact O-N 2.71Å; V121-A125 WeakPolarHBondContact O-CB 3.44Å; V121-A125 PolarHBondContact O-N 2.87Å; V121-V145 HydrophobicContact CG2-CG2 3.39Å; V121-I155 HydrophobicContact CB-CD1 4.12Å; V121-I155 HydrophobicContact CG2-CD1 3.51Å; V121-I155 HydrophobicContact CG2-CG2 4.42Å; V121-A158 HydrophobicContact CB-CB 3.87Å; V121-A158 HydrophobicContact CG1-CB 3.57Å; V121-L159 HydrophobicContact CG1-CD2 4.05Å; V121-I172 HydrophobicContact CG1-CG1 4.08Å; V121-I172 HydrophobicContact CG2-CG2 4.13Å
122	S	98.9	Very high	97.8	Very high	1 Å²	1	11 Å²	11	1%	0.007	7%	0.066	C	C	.	.	H	α-helix	trans	-60.5	-43.7	174.3	-59.9	0	0	0	0	111.4	Q119 A125 G126 A158 N365 V369	Q119-S122 PolarHBondContact O-N 3.31Å; S122-A125 WeakPolarHBondContact O-CB 3.22Å; S122-A125 PolarHBondContact O-N 3.01Å; S122-G126 PolarHBondContact O-N 3.14Å; S122-A158 WeakPolarHBondContact OG-CB 3.34Å; S122-N365 WeakPolarHBondContact CB-OD1 3.2Å; S122-N365 PolarHBondContact OG-OD1 2.91Å; S122-V369 WeakPolarHBondContact O-CA 3.5Å; S122-V369 WeakPolarHBondContact O-CG2 3.43Å; S122-V369 PolarHBondContact O-N 3.08Å
123	I	98.9	Very high	97.8	Very high	4 Å²	4	15 Å²	15	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-61.8	-48.8	176.3	-66	167.4	0	0	0	110.9	V64 V112 Q119 V121 A125 G126 M127 G368 I371 G372	V64-I123 HydrophobicContact CG2-CG2 4.48Å; V112-I123 HydrophobicContact CB-CD1 4.37Å; V112-I123 HydrophobicContact CB-CG2 4.25Å; V112-I123 HydrophobicContact CG1-CD1 4.4Å; V112-I123 HydrophobicContact CG1-CG2 3.57Å; V112-I123 HydrophobicContact CG2-CD1 4.26Å; V112-I123 HydrophobicContact CG2-CG2 3.87Å; Q119-I123 HydrophobicContact CB-CD1 4.43Å; Q119-I123 PolarHBondContact O-N 3.39Å; V121-I123 VanDerWaalsContact C-N 3.32Å; V121-I123 PolarHBondContact O-N 3.45Å; I123-A125 VanDerWaalsContact C-N 3.27Å; I123-A125 PolarHBondContact O-N 2.89Å; I123-G126 PolarHBondContact O-N 3.45Å; I123-G126 VanDerWaalsContact O-N 3.13Å; I123-M127 HydrophobicContact CG2-CE 3.68Å; I123-M127 HydrophobicContact CG2-SD 4.48Å; I123-M127 WeakPolarHBondContact O-CG 3.2Å; I123-M127 PolarHBondContact O-N 3.01Å; I123-G368 VanDerWaalsContact CA-O 3.31Å; I123-G368 WeakPolarHBondContact CA-O 3.46Å; I123-G368 WeakPolarHBondContact CG1-O 3.48Å; I123-I371 HydrophobicContact CD1-CG2 4.43Å; I123-I371 HydrophobicContact CG1-CB 4.45Å; I123-I371 HydrophobicContact CG1-CG2 4.28Å; I123-G372 WeakPolarHBondContact O-CA 3.25Å
124	A	98.9	Very high	97.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.7	-36.5	177.9	0	0	0	0	0	111.9	V64 G120 V121 M127 A128 V141 C143 L170	V64-A124 HydrophobicContact CG2-CB 4.21Å; G120-A124 VanDerWaalsContact O-CB 3.22Å; G120-A124 WeakPolarHBondContact O-CB 3.23Å; G120-A124 PolarHBondContact O-N 3.01Å; V121-A124 PolarHBondContact O-N 2.71Å; A124-M127 PolarHBondContact O-N 2.83Å; A124-A128 WeakPolarHBondContact O-CB 3.2Å; A124-A128 PolarHBondContact O-N 3.44Å; A124-V141 HydrophobicContact CB-CG1 3.72Å; A124-C143 HydrophobicContact CB-CB 3.66Å; A124-L170 HydrophobicContact CB-CD1 3.7Å
125	A	98.9	Very high	97.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-40	173.9	0	0	0	0	0	112.1	V121 S122 I123 A128 Y129 F161 S162 L167 L170 V369	V121-A125 WeakPolarHBondContact O-CB 3.44Å; V121-A125 PolarHBondContact O-N 2.87Å; S122-A125 WeakPolarHBondContact O-CB 3.22Å; S122-A125 PolarHBondContact O-N 3.01Å; I123-A125 VanDerWaalsContact C-N 3.27Å; I123-A125 PolarHBondContact O-N 2.89Å; A125-A128 PolarHBondContact O-N 3.4Å; A125-Y129 WeakPolarHBondContact O-CB 3.34Å; A125-Y129 PolarHBondContact O-N 2.92Å; A125-F161 HydrophobicContact CB-CD1 3.83Å; A125-F161 HydrophobicContact CB-CE1 3.97Å; A125-S162 WeakPolarHBondContact CB-OG 3.31Å; A125-L167 HydrophobicContact CB-CD1 4Å; A125-L167 WeakPolarHBondContact O-CD1 3.3Å; A125-L170 HydrophobicContact CB-CD2 4.23Å; A125-V369 HydrophobicContact CB-CG2 4.37Å
126	G	98.9	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-45	172.1	0	0	0	0	0	113.1	S122 I123 A128 Y129 V130 V369	S122-G126 PolarHBondContact O-N 3.14Å; I123-G126 PolarHBondContact O-N 3.45Å; I123-G126 VanDerWaalsContact O-N 3.13Å; G126-A128 VanDerWaalsContact C-N 3.33Å; G126-A128 PolarHBondContact O-N 2.84Å; G126-Y129 PolarHBondContact O-N 3.27Å; G126-V130 WeakPolarHBondContact O-CG2 3.23Å; G126-V130 PolarHBondContact O-N 2.66Å; G126-V369 WeakPolarHBondContact CA-O 3.39Å
127	M	98.8	Very high	98.1	Very high	1 Å²	1	22 Å²	22	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-59.8	-43.8	174	-65.3	170.4	178.6	0	0	111.7	R62 V64 D111 V112 I123 A124 V130 G131 V141 T375	R62-M127 HydrophobicContact CB-SD 4.02Å; R62-M127 HydrophobicContact CG-SD 4.48Å; V64-M127 HydrophobicContact CG2-CE 3.84Å; V64-M127 HydrophobicContact CG2-SD 3.73Å; D111-M127 HydrophobicContact CB-CE 3.58Å; V112-M127 HydrophobicContact CG1-CE 4.08Å; V112-M127 HydrophobicContact CG2-CE 4.43Å; I123-M127 HydrophobicContact CG2-CE 3.68Å; I123-M127 HydrophobicContact CG2-SD 4.48Å; I123-M127 WeakPolarHBondContact O-CG 3.2Å; I123-M127 PolarHBondContact O-N 3.01Å; A124-M127 PolarHBondContact O-N 2.83Å; M127-V130 PolarHBondContact O-N 3.02Å; M127-G131 PolarHBondContact O-N 2.89Å; M127-V141 HydrophobicContact CB-CG1 4.08Å; M127-V141 HydrophobicContact CB-CG2 3.83Å; M127-V141 HydrophobicContact SD-CG1 4.16Å; M127-T375 HydrophobicContact CE-CG2 3.48Å; M127-T375 VanDerWaalsContact CE-CG2 3.48Å; M127-T375 HydrophobicContact CG-CG2 4.48Å; M127-T375 WeakPolarHBondContact CG-OG1 3.43Å
128	A	98.8	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.9	-39.4	-178.9	0	0	0	0	0	111.6	A124 A125 G126 G131 K132 V141 L167 N169 L170	A124-A128 WeakPolarHBondContact O-CB 3.2Å; A124-A128 PolarHBondContact O-N 3.44Å; A125-A128 PolarHBondContact O-N 3.4Å; G126-A128 VanDerWaalsContact C-N 3.33Å; G126-A128 PolarHBondContact O-N 2.84Å; A128-G131 PolarHBondContact O-N 3.29Å; A128-K132 WeakPolarHBondContact O-CB 3.41Å; A128-K132 PolarHBondContact O-N 2.76Å; A128-V141 HydrophobicContact CB-CB 4.19Å; A128-V141 HydrophobicContact CB-CG2 3.9Å; A128-L167 HydrophobicContact CB-CB 4.35Å; A128-L167 HydrophobicContact CB-CD1 4.14Å; A128-N169 PolarHBondContact O-ND2 3.12Å; A128-L170 HydrophobicContact CB-CB 3.91Å; A128-L170 HydrophobicContact CB-CD1 4.48Å
129	Y	98.8	Very high	98.2	Very high	13 Å²	13	21.8 Å²	21.8	5%	0.051	11%	0.105	C	C	.	.	H	α-helix	trans	-59.3	-50.1	173.7	-176.1	-82	0	0	0	111.2	A125 G126 G131 K132 Y133 I134 F161 Y165 L167 V357	A125-Y129 WeakPolarHBondContact O-CB 3.34Å; A125-Y129 PolarHBondContact O-N 2.92Å; G126-Y129 PolarHBondContact O-N 3.27Å; Y129-G131 VanDerWaalsContact C-N 3.34Å; Y129-G131 PolarHBondContact O-N 3Å; Y129-K132 PolarHBondContact O-N 3.08Å; Y129-Y133 AromaticContact CD2-CD2 3.72Å; Y129-Y133 HydrophobicContact CD2-CD2 3.72Å; Y129-Y133 HydrophobicContact CD2-CE2 4.25Å; Y129-Y133 AromaticContact CE2-CD2 3.71Å; Y129-Y133 HydrophobicContact CE2-CD2 3.71Å; Y129-Y133 HydrophobicContact CE2-CE2 4.28Å; Y129-Y133 HydrophobicContact CE2-CG 4.38Å; Y129-Y133 HydrophobicContact CG-CD2 4.18Å; Y129-Y133 PolarHBondContact O-N 3.45Å; Y129-I134 HydrophobicContact CD1-CD1 4.33Å; Y129-I134 HydrophobicContact CE1-CD1 4.12Å; Y129-I134 HydrophobicContact CE1-CG1 4.27Å; Y129-F161 HydrophobicContact CD2-CZ 4.32Å; Y129-Y165 HydrophobicContact CD2-CD1 4.13Å; Y129-Y165 HydrophobicContact CD2-CD2 4.45Å; Y129-Y165 HydrophobicContact CD2-CG 4.04Å; Y129-Y165 AromaticContact CE2-CD1 3.6Å; Y129-Y165 HydrophobicContact CE2-CD1 3.6Å; Y129-Y165 HydrophobicContact CE2-CD2 4.47Å; Y129-Y165 AromaticContact CE2-CE1 3.74Å; Y129-Y165 HydrophobicContact CE2-CE1 3.74Å; Y129-Y165 AromaticContact CE2-CG 3.98Å; Y129-Y165 HydrophobicContact CE2-CG 3.98Å; Y129-L167 HydrophobicContact CD2-CD2 4.46Å; Y129-V357 HydrophobicContact CD1-CG2 4.14Å; Y129-V357 HydrophobicContact CD2-CG1 4.36Å; Y129-V357 HydrophobicContact CE1-CG2 3.47Å; Y129-V357 VanDerWaalsContact CE1-CG2 3.47Å; Y129-V357 HydrophobicContact CE2-CG1 4.03Å; Y129-V357 HydrophobicContact CE2-CG2 4.29Å
130	V	98.6	Very high	98.3	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	11%	0.107	C	C	.	.	I	π-helix	trans	-57.9	-48.4	176	172.9	0	0	0	0	110.4	G126 M127 K132 I134 D135 C373 R378 T379	G126-V130 WeakPolarHBondContact O-CG2 3.23Å; G126-V130 PolarHBondContact O-N 2.66Å; M127-V130 PolarHBondContact O-N 3.02Å; V130-K132 VanDerWaalsContact C-N 3.33Å; V130-K132 PolarHBondContact O-N 2.88Å; V130-I134 HydrophobicContact CG1-CB 4.35Å; V130-I134 HydrophobicContact CG2-CD1 4.2Å; V130-I134 CarbonylContact O-C 3.57Å; V130-I134 WeakPolarHBondContact O-CA 3.29Å; V130-I134 PolarHBondContact O-N 3.38Å; V130-D135 WeakPolarHBondContact CG1-OD2 3.24Å; V130-D135 PolarHBondContact O-N 2.89Å; V130-C373 HydrophobicContact CG2-CB 3.79Å; V130-R378 HydrophobicContact CG1-CB 3.7Å; V130-R378 HydrophobicContact CG1-CG 4.1Å; V130-T379 HydrophobicContact CG1-CG2 4.35Å; V130-T379 HydrophobicContact CG2-CG2 3.88Å
131	G	98.3	Very high	98.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.106	C	C	.	.	I	π-helix	trans	-56.6	-46.1	179.8	0	0	0	0	0	113	M127 A128 Y129 K136 A137 Y139	M127-G131 PolarHBondContact O-N 2.89Å; A128-G131 PolarHBondContact O-N 3.29Å; Y129-G131 VanDerWaalsContact C-N 3.34Å; Y129-G131 PolarHBondContact O-N 3Å; G131-K136 CarbonylContact O-C 3.56Å; G131-K136 VanDerWaalsContact O-CA 3.3Å; G131-K136 WeakPolarHBondContact O-CA 3.4Å; G131-K136 PolarHBondContact O-N 2.84Å; G131-A137 PolarHBondContact O-N 2.91Å; G131-Y139 WeakPolarHBondContact CA-OH 3.46Å; G131-Y139 PolarHBondContact N-OH 2.86Å; G131-Y139 VanDerWaalsContact N-OH 3.09Å
132	K	97.9	Very high	98.3	Very high	52 Å²	52	22.3 Å²	22.3	23%	0.226	11%	0.106	C	C	.	.	I	π-helix	trans	-77.1	-48.8	-175.1	-177	165.1	-177.7	157.4	0	113.3	A128 Y129 V130 K166 D168	A128-K132 WeakPolarHBondContact O-CB 3.41Å; A128-K132 PolarHBondContact O-N 2.76Å; Y129-K132 PolarHBondContact O-N 3.08Å; V130-K132 VanDerWaalsContact C-N 3.33Å; V130-K132 PolarHBondContact O-N 2.88Å; K132-K166 PolarHBondContact NZ-O 3.42Å; K132-D168 IonicContact NZ-OD1 2.74Å; K132-D168 PolarHBondContact NZ-OD1 3.49Å; K132-D168 IonicContact NZ-OD2 3.68Å; K132-D168 PolarHBondContact NZ-OD2 3.14Å
133	Y	98	Very high	98.3	Very high	90 Å²	90	22.2 Å²	22.2	35%	0.353	11%	0.106	S	C	.	.	I	π-helix	trans	-101	-29.4	-166.6	-68.3	-67.8	0	0	0	114.1	Y129 Y165 L167	Y129-Y133 AromaticContact CD2-CD2 3.72Å; Y129-Y133 HydrophobicContact CD2-CD2 3.72Å; Y129-Y133 HydrophobicContact CD2-CE2 4.25Å; Y129-Y133 AromaticContact CE2-CD2 3.71Å; Y129-Y133 HydrophobicContact CE2-CD2 3.71Å; Y129-Y133 HydrophobicContact CE2-CE2 4.28Å; Y129-Y133 HydrophobicContact CE2-CG 4.38Å; Y129-Y133 HydrophobicContact CG-CD2 4.18Å; Y129-Y133 PolarHBondContact O-N 3.45Å; Y133-Y165 WeakPolarHBondContact CE2-O 3.48Å; Y133-Y165 PolarHBondContact OH-O 3.29Å; Y133-L167 HydrophobicContact CD2-CD2 4.44Å; Y133-L167 HydrophobicContact CE2-CD2 3.97Å
134	I	97.5	Very high	98.3	Very high	30 Å²	30	22 Å²	22	15%	0.154	11%	0.105	C	C	.	.	I	π-helix	trans	-104.4	-59.4	-173.6	-56.8	179.6	0	0	0	110.8	Y129 V130 K136 I333 T379	Y129-I134 HydrophobicContact CD1-CD1 4.33Å; Y129-I134 HydrophobicContact CE1-CD1 4.12Å; Y129-I134 HydrophobicContact CE1-CG1 4.27Å; V130-I134 HydrophobicContact CG1-CB 4.35Å; V130-I134 HydrophobicContact CG2-CD1 4.2Å; V130-I134 CarbonylContact O-C 3.57Å; V130-I134 WeakPolarHBondContact O-CA 3.29Å; V130-I134 PolarHBondContact O-N 3.38Å; I134-K136 VanDerWaalsContact C-N 3.29Å; I134-I333 HydrophobicContact CD1-CD1 4.31Å; I134-I333 HydrophobicContact CD1-CG2 3.87Å; I134-T379 HydrophobicContact CD1-CG2 3.93Å
135	D	97.5	Very high	98.3	Very high	17 Å²	17	22 Å²	22	9%	0.091	11%	0.105	C	C	.	.	I	π-helix	trans	-69.2	-32	175.9	-74.9	-23.1	0	0	0	111.5	V130 A137 Y139 R331 R378	V130-D135 WeakPolarHBondContact CG1-OD2 3.24Å; V130-D135 PolarHBondContact O-N 2.89Å; D135-A137 HydrophobicContact CB-CB 3.97Å; D135-A137 PolarHBondContact O-N 3.03Å; D135-Y139 HydrophobicContact CB-CE1 4.29Å; D135-Y139 PolarHBondContact OD2-OH 3.34Å; D135-R331 IonicContact OD1-CZ 3.9Å; D135-R331 IonicContact OD1-NH1 2.58Å; D135-R331 PolarHBondContact OD1-NH1 2.92Å; D135-R331 IonicContact OD1-NH2 3.21Å; D135-R331 PolarHBondContact OD1-NH2 3.06Å; D135-R378 IonicContact OD1-CZ 2.84Å; D135-R378 IonicContact OD1-NE 3.62Å; D135-R378 PolarHBondContact OD1-NE 3.29Å; D135-R378 IonicContact OD1-NH2 3.5Å; D135-R378 PolarHBondContact OD1-NH2 3.11Å; D135-R378 IonicContact OD2-CZ 2.99Å; D135-R378 IonicContact OD2-NE 2.78Å; D135-R378 PolarHBondContact OD2-NE 2.9Å; D135-R378 IonicContact OD2-NH2 2.66Å
136	K	97.1	Very high	98.2	Very high	169 Å²	169	22.3 Å²	22.3	74%	0.735	11%	0.108	S	C	*	.			trans	52.1	39.9	-172.5	-57.3	176.6	-177.1	174.8	0	111.3	G131 I134	G131-K136 CarbonylContact O-C 3.56Å; G131-K136 VanDerWaalsContact O-CA 3.3Å; G131-K136 WeakPolarHBondContact O-CA 3.4Å; G131-K136 PolarHBondContact O-N 2.84Å; I134-K136 VanDerWaalsContact C-N 3.29Å
137	A	97.3	Very high	98.2	Very high	13 Å²	13	22.6 Å²	22.6	11%	0.107	11%	0.109	C	C	.	.			trans	-99.8	158.8	-176.5	0	0	0	0	0	110.8	G131 D135 Y139 C289	G131-A137 PolarHBondContact O-N 2.91Å; D135-A137 HydrophobicContact CB-CB 3.97Å; D135-A137 PolarHBondContact O-N 3.03Å; A137-Y139 VanDerWaalsContact C-N 3.28Å; A137-Y139 HydrophobicContact CB-CD1 3.52Å; A137-Y139 HydrophobicContact CB-CE1 3.7Å; A137-Y139 PolarHBondContact O-N 3.4Å; A137-C289 HydrophobicContact CB-CB 4.03Å
138	S	97	Very high	98.1	Very high	56 Å²	56	24.1 Å²	24.1	39%	0.392	13%	0.126	S	C	.	.			trans	-79.6	-7.1	-176.4	60.7	0	0	0	0	114.5	D288	S138-D288 WeakPolarHBondContact CB-OD2 3.47Å; S138-D288 PolarHBondContact N-OD2 3.49Å; S138-D288 PolarHBondContact OG-OD2 2.76Å
139	Y	97.9	Very high	98	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.008	13%	0.126	C	C	.	.			trans	-63.9	142.5	-177.6	70.3	-104.6	0	0	0	112.2	S60 D61 R62 G131 D135 A137 V141	S60-Y139 WeakPolarHBondContact O-CB 3.44Å; D61-Y139 WeakPolarHBondContact OD1-CA 3.42Å; R62-Y139 HydrophobicContact CG-CD2 3.95Å; R62-Y139 HydrophobicContact CG-CE2 3.98Å; G131-Y139 WeakPolarHBondContact CA-OH 3.46Å; G131-Y139 PolarHBondContact N-OH 2.86Å; G131-Y139 VanDerWaalsContact N-OH 3.09Å; D135-Y139 HydrophobicContact CB-CE1 4.29Å; D135-Y139 PolarHBondContact OD2-OH 3.34Å; A137-Y139 VanDerWaalsContact C-N 3.28Å; A137-Y139 HydrophobicContact CB-CD1 3.52Å; A137-Y139 HydrophobicContact CB-CE1 3.7Å; A137-Y139 PolarHBondContact O-N 3.4Å; Y139-V141 HydrophobicContact CD2-CG2 4.3Å; Y139-V141 HydrophobicContact CE2-CG2 4.22Å
140	R	98.4	Very high	97.9	Very high	18 Å²	18	23.8 Å²	23.8	7%	0.068	12%	0.124	C	C	.	.			trans	-101	160.5	173.4	-67.6	174.3	71.6	86.4	-9.2	110.2	D61 R62 Y142 D168 N169 S223 Y224	D61-R140 CarbonylContact C-O 3.59Å; D61-R140 WeakPolarHBondContact CA-O 3.41Å; D61-R140 PolarHBondContact OD1-N 3.39Å; R62-R140 PolarHBondContact N-O 2.95Å; R140-Y142 HydrophobicContact CB-CD2 4.44Å; R140-Y142 HydrophobicContact CB-CE2 3.59Å; R140-Y142 WeakPolarHBondContact CD-OH 3.33Å; R140-Y142 PolarHBondContact NE-OH 3.3Å; R140-D168 PolarHBondContact NH1-O 2.98Å; R140-D168 VanDerWaalsContact NH1-O 3.11Å; R140-N169 CarbonylContact C-O 3.57Å; R140-N169 WeakPolarHBondContact CA-O 3.32Å; R140-N169 HydrophobicContact CG-CB 4.41Å; R140-S223 PolarHBondContact NH2-O 3.36Å; R140-S223 PolarHBondContact NH2-OG 3.43Å; R140-Y224 VanDerWaalsContact CD-CE1 3.45Å
141	V	98.8	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.5	177.4	-175.2	0	0	0	0	108.3	R62 A124 M127 A128 Y139 N169 L170 V171	R62-V141 HydrophobicContact CB-CB 4.33Å; R62-V141 HydrophobicContact CB-CG1 4.05Å; R62-V141 HydrophobicContact CB-CG2 4Å; R62-V141 HydrophobicContact CG-CG2 4.08Å; A124-V141 HydrophobicContact CB-CG1 3.72Å; M127-V141 HydrophobicContact CB-CG1 4.08Å; M127-V141 HydrophobicContact CB-CG2 3.83Å; M127-V141 HydrophobicContact SD-CG1 4.16Å; A128-V141 HydrophobicContact CB-CB 4.19Å; A128-V141 HydrophobicContact CB-CG2 3.9Å; Y139-V141 HydrophobicContact CD2-CG2 4.3Å; Y139-V141 HydrophobicContact CE2-CG2 4.22Å; V141-N169 PolarHBondContact N-O 3.06Å; V141-L170 HydrophobicContact CB-CD1 4.04Å; V141-L170 HydrophobicContact CG1-CD1 3.99Å; V141-L170 WeakPolarHBondContact O-CA 3.26Å; V141-V171 PolarHBondContact O-N 3.27Å
142	Y	98.8	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.3	179.5	-59	-93.6	0	0	0	109.2	L43 E47 M48 D61 R62 F63 V64 R140 V171 F220	L43-Y142 HydrophobicContact CD1-CD1 3.48Å; L43-Y142 VanDerWaalsContact CD1-CD1 3.48Å; L43-Y142 HydrophobicContact CD1-CD2 4.25Å; L43-Y142 HydrophobicContact CD1-CE1 3.87Å; L43-Y142 HydrophobicContact CD1-CG 3.71Å; E47-Y142 HydrophobicContact CG-CE1 3.68Å; E47-Y142 WeakPolarHBondContact CG-OH 3.29Å; E47-Y142 PolarHBondContact OE1-OH 3.37Å; M48-Y142 HydrophobicContact CG-CD2 3.7Å; M48-Y142 HydrophobicContact CG-CE2 3.74Å; M48-Y142 HydrophobicContact CG-CG 4.4Å; M48-Y142 HydrophobicContact SD-CD2 4.23Å; D61-Y142 HydrophobicContact CB-CD2 4.39Å; D61-Y142 HydrophobicContact CB-CE2 4.04Å; R62-Y142 PolarHBondContact O-N 3.28Å; F63-Y142 CarbonylContact C-O 3.43Å; F63-Y142 WeakPolarHBondContact CA-O 3.42Å; V64-Y142 PolarHBondContact N-O 3.35Å; R140-Y142 HydrophobicContact CB-CD2 4.44Å; R140-Y142 HydrophobicContact CB-CE2 3.59Å; R140-Y142 WeakPolarHBondContact CD-OH 3.33Å; R140-Y142 PolarHBondContact NE-OH 3.3Å; Y142-V171 WeakPolarHBondContact CA-O 3.18Å; Y142-V171 HydrophobicContact CD1-CB 3.69Å; Y142-V171 HydrophobicContact CD1-CG1 4.2Å; Y142-V171 HydrophobicContact CD1-CG2 4.08Å; Y142-V171 HydrophobicContact CE1-CB 3.97Å; Y142-V171 HydrophobicContact CE1-CG1 4.47Å; Y142-V171 HydrophobicContact CE1-CG2 3.84Å; Y142-F220 HydrophobicContact CD1-CE1 4.31Å; Y142-F220 HydrophobicContact CE1-CD1 4.32Å; Y142-F220 HydrophobicContact CE1-CE1 4.25Å
143	C	98.8	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.4	179.1	-173	0	0	0	0	110.3	V64 G120 A124 V171 I172 I173	V64-C143 HydrophobicContact CB-CB 4.39Å; V64-C143 WeakPolarHBondContact O-CA 3.49Å; G120-C143 PolarHBondContact O-SG 3.29Å; G120-C143 VanDerWaalsContact O-SG 3.41Å; A124-C143 HydrophobicContact CB-CB 3.66Å; C143-V171 PolarHBondContact N-O 3.04Å; C143-I172 CarbonylContact O-C 3.51Å; C143-I172 WeakPolarHBondContact O-CA 3.33Å; C143-I173 PolarHBondContact O-N 2.85Å
144	V	98.8	Very high	97.7	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.7	176.7	174.5	0	0	0	0	109.5	L36 F63 V64 L65 S66 K67 I173	L36-V144 HydrophobicContact CD1-CG1 4.07Å; L36-V144 HydrophobicContact CD2-CG1 3.66Å; F63-V144 HydrophobicContact CE2-CB 4.49Å; F63-V144 HydrophobicContact CE2-CG2 3.64Å; F63-V144 HydrophobicContact CZ-CB 4.45Å; F63-V144 HydrophobicContact CZ-CG2 3.92Å; V64-V144 PolarHBondContact O-N 2.93Å; L65-V144 HydrophobicContact CD1-CB 4.04Å; L65-V144 HydrophobicContact CD1-CG1 4.04Å; S66-V144 WeakPolarHBondContact CA-O 3.38Å; S66-V144 WeakPolarHBondContact CB-O 3.3Å; S66-V144 PolarHBondContact N-O 3.08Å; K67-V144 HydrophobicContact CD-CG1 4.13Å; K67-V144 HydrophobicContact CG-CG1 4.08Å; K67-V144 PolarHBondContact N-O 3.41Å; V144-I173 WeakPolarHBondContact CA-O 3.24Å; V144-I173 HydrophobicContact CG2-CB 4.17Å; V144-I173 HydrophobicContact CG2-CD1 4.08Å
145	V	98.5	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.7	-174.6	-178.3	0	0	0	0	109.3	V121 E149 I155 I172 I173 F174 D175	V121-V145 HydrophobicContact CG2-CG2 3.39Å; V145-E149 HydrophobicContact CG1-CB 4.35Å; V145-E149 HydrophobicContact CG1-CG 3.87Å; V145-I155 HydrophobicContact CG1-CD1 4.07Å; V145-I172 HydrophobicContact CG2-CG2 3.71Å; V145-I173 PolarHBondContact N-O 2.89Å; V145-F174 HydrophobicContact CB-CD1 4.33Å; V145-F174 HydrophobicContact CB-CE1 4.46Å; V145-F174 HydrophobicContact CG1-CD1 4.2Å; V145-F174 HydrophobicContact CG1-CE1 4.11Å; V145-D175 PolarHBondContact O-N 3.16Å
146	G	98.1	Very high	97.9	Very high	6 Å²	6	26.4 Å²	26.4	6%	0.062	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	145.9	171	0	0	0	0	0	112.1	G148 E149 S150	G146-G148 VanDerWaalsContact C-N 3.29Å; G146-G148 PolarHBondContact O-N 3.01Å; G146-E149 PolarHBondContact N-OE2 2.89Å; G146-E149 WeakPolarHBondContact O-CB 3.41Å; G146-E149 PolarHBondContact O-N 3.14Å; G146-E149 VanDerWaalsContact O-N 3.08Å; G146-S150 PolarHBondContact O-N 3.44Å
147	D	97.8	Very high	97.9	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.027	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.7	171.4	61.5	-24.1	0	0	0	114	E149 S150 D175 V176 R178 T185 Y194	D147-E149 VanDerWaalsContact C-N 3.35Å; D147-S150 PolarHBondContact O-N 3.21Å; D147-S150 PolarHBondContact O-OG 3.43Å; D147-D175 PolarHBondContact N-O 3.29Å; D147-D175 VanDerWaalsContact N-O 3.16Å; D147-V176 HydrophobicContact CB-CB 4.39Å; D147-V176 HydrophobicContact CB-CG1 4.13Å; D147-V176 HydrophobicContact CB-CG2 4.48Å; D147-R178 WeakPolarHBondContact OD2-CA 3.42Å; D147-R178 PolarHBondContact OD2-N 3.18Å; D147-T185 VanDerWaalsContact OD2-CG2 3.29Å; D147-T185 WeakPolarHBondContact OD2-CG2 3.25Å; D147-T185 PolarHBondContact OD2-OG1 2.86Å; D147-Y194 HydrophobicContact CB-CE1 4.42Å
148	G	97	Very high	98	Very high	34 Å²	34	20.7 Å²	20.7	35%	0.351	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-31.6	173	0	0	0	0	0	113.5	G146 S150	G146-G148 VanDerWaalsContact C-N 3.29Å; G146-G148 PolarHBondContact O-N 3.01Å; G148-S150 VanDerWaalsContact C-N 3.32Å
149	E	96.6	Very high	98.1	Very high	4 Å²	4	18 Å²	18	2%	0.019	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-69.7	-30.5	175.1	161.8	174.4	-143.3	0	0	112	S66 K67 L117 G118 V145 G146 D147 T151 E152 I155	S66-E149 WeakPolarHBondContact CB-OE1 3.49Å; S66-E149 WeakPolarHBondContact CB-OE2 3.31Å; S66-E149 VanDerWaalsContact OG-CD 3.3Å; S66-E149 PolarHBondContact OG-OE1 2.73Å; K67-E149 PolarHBondContact N-OE2 2.73Å; L117-E149 HydrophobicContact CB-CB 4.05Å; L117-E149 HydrophobicContact CB-CG 3.91Å; L117-E149 HydrophobicContact CD1-CB 4.2Å; L117-E149 HydrophobicContact CD2-CB 4.28Å; L117-E149 HydrophobicContact CD2-CG 4.43Å; L117-E149 HydrophobicContact CG-CB 4.4Å; G118-E149 PolarHBondContact N-OE1 2.64Å; V145-E149 HydrophobicContact CG1-CB 4.35Å; V145-E149 HydrophobicContact CG1-CG 3.87Å; G146-E149 PolarHBondContact N-OE2 2.89Å; G146-E149 WeakPolarHBondContact O-CB 3.41Å; G146-E149 PolarHBondContact O-N 3.14Å; G146-E149 VanDerWaalsContact O-N 3.08Å; D147-E149 VanDerWaalsContact C-N 3.35Å; E149-T151 PolarHBondContact O-N 3.48Å; E149-E152 WeakPolarHBondContact O-CB 3.49Å; E149-E152 PolarHBondContact O-N 3.38Å; E149-I155 HydrophobicContact CG-CD1 4.21Å
150	S	96.7	Very high	98.1	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-64.4	-6.4	179.3	76.8	0	0	0	0	114.7	G146 D147 G148 E152 W156 Y194	G146-S150 PolarHBondContact O-N 3.44Å; D147-S150 PolarHBondContact O-N 3.21Å; D147-S150 PolarHBondContact O-OG 3.43Å; G148-S150 VanDerWaalsContact C-N 3.32Å; S150-E152 VanDerWaalsContact C-N 3.26Å; S150-W156 VanDerWaalsContact O-CE2 3.28Å; S150-W156 VanDerWaalsContact O-CZ2 3.22Å; S150-W156 WeakPolarHBondContact O-CZ2 3.41Å; S150-W156 PolarHBondContact O-NE1 2.68Å; S150-Y194 WeakPolarHBondContact OG-CE1 3.22Å
151	T	96.2	Very high	98.1	Very high	80 Å²	80	20.4 Å²	20.4	49%	0.491	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-70.4	-23.1	170.2	-63	0	0	0	0	112.2	E149	E149-T151 PolarHBondContact O-N 3.48Å
152	E	97.7	Very high	98.1	Very high	92 Å²	92	20.4 Å²	20.4	43%	0.43	13%	0.128	S	C	.	.	S	Bend	trans	-65.8	135.2	178.4	-69.9	-61.3	140.8	0	0	112.4	E149 S150 S154 I155	E149-E152 WeakPolarHBondContact O-CB 3.49Å; E149-E152 PolarHBondContact O-N 3.38Å; S150-E152 VanDerWaalsContact C-N 3.26Å; E152-S154 VanDerWaalsContact C-N 3.33Å; E152-S154 PolarHBondContact O-N 2.61Å; E152-I155 HydrophobicContact CB-CG1 4.27Å; E152-I155 WeakPolarHBondContact O-CB 3.35Å; E152-I155 PolarHBondContact O-N 2.99Å
153	G	97.9	Very high	98.1	Very high	38 Å²	38	22 Å²	22	39%	0.392	14%	0.139	S	C	.	.	H	α-helix	trans	-60.7	-39.7	-177.5	0	0	0	0	0	113.2	I155 W156 E157	G153-I155 PolarHBondContact O-N 2.85Å; G153-I155 VanDerWaalsContact O-N 3.16Å; G153-W156 PolarHBondContact O-N 2.82Å; G153-E157 PolarHBondContact O-N 3.09Å; G153-E157 VanDerWaalsContact O-N 3.16Å
154	S	98.1	Very high	98.1	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.014	16%	0.164	C	C	.	.	H	α-helix	trans	-61.9	-23.4	-178.2	53.5	0	0	0	0	114.1	G118 E152 W156 A158	G118-S154 PolarHBondContact O-OG 2.8Å; E152-S154 VanDerWaalsContact C-N 3.33Å; E152-S154 PolarHBondContact O-N 2.61Å; S154-W156 VanDerWaalsContact C-N 3.33Å; S154-A158 VanDerWaalsContact O-CB 3.29Å; S154-A158 WeakPolarHBondContact O-CB 3.45Å; S154-A158 PolarHBondContact O-N 2.83Å
155	I	98.6	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-45.7	173.2	-64	-72	0	0	0	109.7	V121 V145 E149 E152 G153 A158 L159 F174	V121-I155 HydrophobicContact CB-CD1 4.12Å; V121-I155 HydrophobicContact CG2-CD1 3.51Å; V121-I155 HydrophobicContact CG2-CG2 4.42Å; V145-I155 HydrophobicContact CG1-CD1 4.07Å; E149-I155 HydrophobicContact CG-CD1 4.21Å; E152-I155 HydrophobicContact CB-CG1 4.27Å; E152-I155 WeakPolarHBondContact O-CB 3.35Å; E152-I155 PolarHBondContact O-N 2.99Å; G153-I155 PolarHBondContact O-N 2.85Å; G153-I155 VanDerWaalsContact O-N 3.16Å; I155-A158 PolarHBondContact O-N 3.2Å; I155-L159 WeakPolarHBondContact O-CG 3.37Å; I155-L159 PolarHBondContact O-N 3.32Å; I155-F174 HydrophobicContact CG2-CE1 4.35Å; I155-F174 HydrophobicContact CG2-CZ 4.34Å
156	W	98.5	Very high	98.1	Very high	34 Å²	34	34.5 Å²	34.5	13%	0.129	19%	0.193	C	C	.	.	H	α-helix	trans	-74.2	-37.2	-177.9	-51.6	105.9	0	0	0	112	S150 G153 S154 A158 L159 S160 R197 T198 F201	S150-W156 VanDerWaalsContact O-CE2 3.28Å; S150-W156 VanDerWaalsContact O-CZ2 3.22Å; S150-W156 WeakPolarHBondContact O-CZ2 3.41Å; S150-W156 PolarHBondContact O-NE1 2.68Å; G153-W156 PolarHBondContact O-N 2.82Å; S154-W156 VanDerWaalsContact C-N 3.33Å; W156-A158 VanDerWaalsContact C-N 3.3Å; W156-A158 PolarHBondContact O-N 3.1Å; W156-L159 HydrophobicContact CE3-CD1 3.89Å; W156-L159 HydrophobicContact CZ3-CD1 3.98Å; W156-L159 PolarHBondContact O-N 3.35Å; W156-S160 PolarHBondContact O-N 2.84Å; W156-R197 HydrophobicContact CE3-CB 4.49Å; W156-R197 HydrophobicContact CH2-CB 3.66Å; W156-R197 HydrophobicContact CH2-CG 4.4Å; W156-R197 HydrophobicContact CZ3-CB 3.62Å; W156-T198 HydrophobicContact CZ3-CG2 4.06Å; W156-F201 HydrophobicContact CB-CD1 4.36Å; W156-F201 HydrophobicContact CB-CD2 4.32Å; W156-F201 HydrophobicContact CB-CE1 3.88Å; W156-F201 HydrophobicContact CB-CE2 3.87Å; W156-F201 HydrophobicContact CB-CZ 3.64Å; W156-F201 HydrophobicContact CD2-CD2 4.26Å; W156-F201 AromaticContact CD2-CE2 3.96Å; W156-F201 HydrophobicContact CD2-CE2 3.96Å; W156-F201 AromaticContact CE3-CD2 3.47Å; W156-F201 HydrophobicContact CE3-CD2 3.47Å; W156-F201 VanDerWaalsContact CE3-CD2 3.47Å; W156-F201 AromaticContact CE3-CE2 3.6Å; W156-F201 HydrophobicContact CE3-CE2 3.6Å; W156-F201 HydrophobicContact CE3-CG 4.36Å; W156-F201 HydrophobicContact CG-CE2 4.09Å; W156-F201 HydrophobicContact CG-CZ 4.24Å; W156-F201 HydrophobicContact CZ3-CD2 4.22Å; W156-F201 HydrophobicContact CZ3-CE2 4.49Å; W156-F201 WeakPolarHBondContact O-CD1 3.33Å
157	E	98.6	Very high	98.1	Very high	62 Å²	62	34.2 Å²	34.2	29%	0.29	19%	0.19	S	C	.	.	H	α-helix	trans	-56.3	-45.2	169.6	-63.6	170.4	-171.8	0	0	111.1	G153 S160 F161 A362 N365	G153-E157 PolarHBondContact O-N 3.09Å; G153-E157 VanDerWaalsContact O-N 3.16Å; E157-S160 WeakPolarHBondContact O-CB 3.49Å; E157-S160 PolarHBondContact O-N 2.98Å; E157-F161 WeakPolarHBondContact O-CB 3.48Å; E157-F161 PolarHBondContact O-N 3.15Å; E157-A362 HydrophobicContact CB-CB 4.32Å; E157-A362 HydrophobicContact CG-CB 4.24Å; E157-N365 HydrophobicContact CB-CB 3.81Å; E157-N365 PolarHBondContact OE2-N 2.82Å
158	A	98.8	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.5	-37	179.4	0	0	0	0	0	113.3	V121 S122 S154 I155 W156 S162 N365	V121-A158 HydrophobicContact CB-CB 3.87Å; V121-A158 HydrophobicContact CG1-CB 3.57Å; S122-A158 WeakPolarHBondContact OG-CB 3.34Å; S154-A158 VanDerWaalsContact O-CB 3.29Å; S154-A158 WeakPolarHBondContact O-CB 3.45Å; S154-A158 PolarHBondContact O-N 2.83Å; I155-A158 PolarHBondContact O-N 3.2Å; W156-A158 VanDerWaalsContact C-N 3.3Å; W156-A158 PolarHBondContact O-N 3.1Å; A158-S162 VanDerWaalsContact O-CB 3.27Å; A158-S162 WeakPolarHBondContact O-CB 3.45Å; A158-S162 PolarHBondContact O-N 3.31Å; A158-S162 PolarHBondContact O-OG 3.43Å; A158-N365 VanDerWaalsContact CA-OD1 3.28Å; A158-N365 WeakPolarHBondContact CA-OD1 3.49Å; A158-N365 WeakPolarHBondContact CB-OD1 3.26Å
159	L	98.8	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.6	-42.7	173.6	-66	-175.1	0	0	0	111.2	V121 I155 W156 S162 S163 I172 F174 T198 F201	V121-L159 HydrophobicContact CG1-CD2 4.05Å; I155-L159 WeakPolarHBondContact O-CG 3.37Å; I155-L159 PolarHBondContact O-N 3.32Å; W156-L159 HydrophobicContact CE3-CD1 3.89Å; W156-L159 HydrophobicContact CZ3-CD1 3.98Å; W156-L159 PolarHBondContact O-N 3.35Å; L159-S162 PolarHBondContact O-N 2.61Å; L159-S163 WeakPolarHBondContact O-CB 3.44Å; L159-S163 PolarHBondContact O-N 3.27Å; L159-I172 HydrophobicContact CD2-CD1 3.63Å; L159-I172 HydrophobicContact CD2-CG1 3.95Å; L159-F174 HydrophobicContact CD1-CZ 4.34Å; L159-T198 HydrophobicContact CD1-CG2 3.9Å; L159-F201 HydrophobicContact CB-CB 3.74Å; L159-F201 HydrophobicContact CB-CG 4.43Å; L159-F201 HydrophobicContact CD1-CB 4.43Å
160	S	98.6	Very high	98.3	Very high	63 Å²	63	34.7 Å²	34.7	44%	0.441	19%	0.185	S	C	.	.	H	α-helix	trans	-58.2	-49.2	174.8	-169.4	0	0	0	0	111.4	W156 E157 S162 S163 F164	W156-S160 PolarHBondContact O-N 2.84Å; E157-S160 WeakPolarHBondContact O-CB 3.49Å; E157-S160 PolarHBondContact O-N 2.98Å; S160-S162 PolarHBondContact O-N 2.98Å; S160-S163 PolarHBondContact O-N 3.02Å; S160-F164 WeakPolarHBondContact O-CB 3.41Å; S160-F164 PolarHBondContact O-N 2.84Å
161	F	98.8	Very high	98.4	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.035	18%	0.184	C	C	.	.	H	α-helix	trans	-57.1	-47.3	174.4	172.5	-87.6	0	0	0	112	A125 Y129 E157 S163 F164 Y165 L167 V357 N365 V369	A125-F161 HydrophobicContact CB-CD1 3.83Å; A125-F161 HydrophobicContact CB-CE1 3.97Å; Y129-F161 HydrophobicContact CD2-CZ 4.32Å; E157-F161 WeakPolarHBondContact O-CB 3.48Å; E157-F161 PolarHBondContact O-N 3.15Å; F161-S163 VanDerWaalsContact C-N 3.29Å; F161-S163 PolarHBondContact O-N 2.96Å; F161-F164 PolarHBondContact O-N 3.41Å; F161-Y165 HydrophobicContact CD1-CD2 4.28Å; F161-Y165 AromaticContact CD2-CD2 3.73Å; F161-Y165 HydrophobicContact CD2-CD2 3.73Å; F161-Y165 AromaticContact CD2-CE2 3.72Å; F161-Y165 HydrophobicContact CD2-CE2 3.72Å; F161-Y165 AromaticContact CE1-CD2 3.98Å; F161-Y165 HydrophobicContact CE1-CD2 3.98Å; F161-Y165 AromaticContact CE2-CD2 3.39Å; F161-Y165 HydrophobicContact CE2-CD2 3.39Å; F161-Y165 AromaticContact CE2-CE2 3.23Å; F161-Y165 HydrophobicContact CE2-CE2 3.23Å; F161-Y165 HydrophobicContact CG-CD2 4.16Å; F161-Y165 AromaticContact CZ-CD2 3.51Å; F161-Y165 HydrophobicContact CZ-CD2 3.51Å; F161-Y165 AromaticContact CZ-CE2 3.74Å; F161-Y165 HydrophobicContact CZ-CE2 3.74Å; F161-Y165 HydrophobicContact CZ-CG 4.46Å; F161-Y165 PolarHBondContact O-N 3.49Å; F161-L167 HydrophobicContact CD1-CD1 4.3Å; F161-L167 HydrophobicContact CE1-CD1 3.99Å; F161-V357 HydrophobicContact CE2-CG1 3.81Å; F161-V357 HydrophobicContact CZ-CG1 3.85Å; F161-N365 WeakPolarHBondContact CB-ND2 3.36Å; F161-V369 HydrophobicContact CD1-CG2 4.05Å; F161-V369 HydrophobicContact CE1-CG1 4.09Å; F161-V369 HydrophobicContact CE1-CG2 3.85Å; F161-V369 HydrophobicContact CE2-CG1 4.24Å; F161-V369 HydrophobicContact CE2-CG2 4.32Å; F161-V369 HydrophobicContact CG-CG2 4.39Å; F161-V369 HydrophobicContact CZ-CG1 3.66Å; F161-V369 HydrophobicContact CZ-CG2 4.01Å
162	S	98.8	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-35.5	-178.1	-59.8	0	0	0	0	112.1	A125 A158 L159 S160 K166 L167 L170	A125-S162 WeakPolarHBondContact CB-OG 3.31Å; A158-S162 VanDerWaalsContact O-CB 3.27Å; A158-S162 WeakPolarHBondContact O-CB 3.45Å; A158-S162 PolarHBondContact O-N 3.31Å; A158-S162 PolarHBondContact O-OG 3.43Å; L159-S162 PolarHBondContact O-N 2.61Å; S160-S162 PolarHBondContact O-N 2.98Å; S162-K166 PolarHBondContact O-N 2.77Å; S162-K166 VanDerWaalsContact O-N 3.08Å; S162-L167 PolarHBondContact O-N 2.66Å; S162-L170 WeakPolarHBondContact OG-CD2 3.49Å
163	S	98.6	Very high	98.6	Very high	34 Å²	34	26.4 Å²	26.4	24%	0.238	14%	0.14	C	C	.	.	H	α-helix	trans	-70.6	-44.6	174.4	-169.3	0	0	0	0	111.8	L159 S160 F161 Y165 K166 F201 G202	L159-S163 WeakPolarHBondContact O-CB 3.44Å; L159-S163 PolarHBondContact O-N 3.27Å; S160-S163 PolarHBondContact O-N 3.02Å; F161-S163 VanDerWaalsContact C-N 3.29Å; F161-S163 PolarHBondContact O-N 2.96Å; S163-Y165 VanDerWaalsContact C-N 3.31Å; S163-Y165 PolarHBondContact O-N 3.02Å; S163-K166 PolarHBondContact O-N 2.98Å; S163-F201 VanDerWaalsContact CB-O 3.26Å; S163-F201 WeakPolarHBondContact CB-O 3.39Å; S163-G202 WeakPolarHBondContact OG-CA 3.28Å; S163-G202 PolarHBondContact OG-O 3.09Å
164	F	98.5	Very high	98.6	Very high	121 Å²	121	24.6 Å²	24.6	53%	0.531	12%	0.122	S	C	.	.	H	α-helix	trans	-56.1	-45.6	177.3	-179.7	-95.2	0	0	0	111.8	S160 F161 K166 F360	S160-F164 WeakPolarHBondContact O-CB 3.41Å; S160-F164 PolarHBondContact O-N 2.84Å; F161-F164 PolarHBondContact O-N 3.41Å; F164-K166 VanDerWaalsContact C-N 3.29Å; F164-K166 PolarHBondContact O-N 2.93Å; F164-F360 HydrophobicContact CD1-CE2 4.03Å; F164-F360 HydrophobicContact CD2-CE2 4.33Å; F164-F360 HydrophobicContact CD2-CZ 4.47Å; F164-F360 AromaticContact CE1-CE2 3.87Å; F164-F360 HydrophobicContact CE1-CE2 3.87Å; F164-F360 AromaticContact CE1-CZ 3.98Å; F164-F360 HydrophobicContact CE1-CZ 3.98Å; F164-F360 HydrophobicContact CE2-CE2 4.19Å; F164-F360 AromaticContact CE2-CZ 3.91Å; F164-F360 HydrophobicContact CE2-CZ 3.91Å; F164-F360 HydrophobicContact CG-CE2 4.26Å; F164-F360 AromaticContact CZ-CE2 3.96Å; F164-F360 HydrophobicContact CZ-CE2 3.96Å; F164-F360 AromaticContact CZ-CZ 3.64Å; F164-F360 HydrophobicContact CZ-CZ 3.64Å
165	Y	98.5	Very high	98.7	Very high	32 Å²	32	24.5 Å²	24.5	13%	0.125	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	10.1	175.7	-73.4	-68.9	0	0	0	114.2	Y129 Y133 F161 S163 L167 V357 E358	Y129-Y165 HydrophobicContact CD2-CD1 4.13Å; Y129-Y165 HydrophobicContact CD2-CD2 4.45Å; Y129-Y165 HydrophobicContact CD2-CG 4.04Å; Y129-Y165 AromaticContact CE2-CD1 3.6Å; Y129-Y165 HydrophobicContact CE2-CD1 3.6Å; Y129-Y165 HydrophobicContact CE2-CD2 4.47Å; Y129-Y165 AromaticContact CE2-CE1 3.74Å; Y129-Y165 HydrophobicContact CE2-CE1 3.74Å; Y129-Y165 AromaticContact CE2-CG 3.98Å; Y129-Y165 HydrophobicContact CE2-CG 3.98Å; Y133-Y165 WeakPolarHBondContact CE2-O 3.48Å; Y133-Y165 PolarHBondContact OH-O 3.29Å; F161-Y165 HydrophobicContact CD1-CD2 4.28Å; F161-Y165 AromaticContact CD2-CD2 3.73Å; F161-Y165 HydrophobicContact CD2-CD2 3.73Å; F161-Y165 AromaticContact CD2-CE2 3.72Å; F161-Y165 HydrophobicContact CD2-CE2 3.72Å; F161-Y165 AromaticContact CE1-CD2 3.98Å; F161-Y165 HydrophobicContact CE1-CD2 3.98Å; F161-Y165 AromaticContact CE2-CD2 3.39Å; F161-Y165 HydrophobicContact CE2-CD2 3.39Å; F161-Y165 AromaticContact CE2-CE2 3.23Å; F161-Y165 HydrophobicContact CE2-CE2 3.23Å; F161-Y165 HydrophobicContact CG-CD2 4.16Å; F161-Y165 AromaticContact CZ-CD2 3.51Å; F161-Y165 HydrophobicContact CZ-CD2 3.51Å; F161-Y165 AromaticContact CZ-CE2 3.74Å; F161-Y165 HydrophobicContact CZ-CE2 3.74Å; F161-Y165 HydrophobicContact CZ-CG 4.46Å; F161-Y165 PolarHBondContact O-N 3.49Å; S163-Y165 VanDerWaalsContact C-N 3.31Å; S163-Y165 PolarHBondContact O-N 3.02Å; Y165-L167 VanDerWaalsContact C-N 3.26Å; Y165-L167 PolarHBondContact O-N 2.66Å; Y165-L167 VanDerWaalsContact O-N 3.15Å; Y165-V357 HydrophobicContact CE2-CG1 4.09Å; Y165-E358 WeakPolarHBondContact CE2-O 3.17Å; Y165-E358 PolarHBondContact OH-N 3.2Å; Y165-E358 PolarHBondContact OH-O 2.82Å; Y165-E358 VanDerWaalsContact OH-O 3.09Å
166	K	98.4	Very high	98.7	Very high	108 Å²	108	24.5 Å²	24.5	47%	0.47	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	46.2	177.1	-57.3	178.9	-178.2	175.2	0	112.9	K132 S162 S163 F164 D168	K132-K166 PolarHBondContact NZ-O 3.42Å; S162-K166 PolarHBondContact O-N 2.77Å; S162-K166 VanDerWaalsContact O-N 3.08Å; S163-K166 PolarHBondContact O-N 2.98Å; F164-K166 VanDerWaalsContact C-N 3.29Å; F164-K166 PolarHBondContact O-N 2.93Å; K166-D168 PolarHBondContact O-N 2.85Å
167	L	98.7	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.			trans	-73.1	73.1	-176.4	-58.1	-176.8	0	0	0	111.3	A125 A128 Y129 Y133 F161 S162 Y165 N169 L170 P229	A125-L167 HydrophobicContact CB-CD1 4Å; A125-L167 WeakPolarHBondContact O-CD1 3.3Å; A128-L167 HydrophobicContact CB-CB 4.35Å; A128-L167 HydrophobicContact CB-CD1 4.14Å; Y129-L167 HydrophobicContact CD2-CD2 4.46Å; Y133-L167 HydrophobicContact CD2-CD2 4.44Å; Y133-L167 HydrophobicContact CE2-CD2 3.97Å; F161-L167 HydrophobicContact CD1-CD1 4.3Å; F161-L167 HydrophobicContact CE1-CD1 3.99Å; S162-L167 PolarHBondContact O-N 2.66Å; Y165-L167 VanDerWaalsContact C-N 3.26Å; Y165-L167 PolarHBondContact O-N 2.66Å; Y165-L167 VanDerWaalsContact O-N 3.15Å; L167-N169 PolarHBondContact O-N 2.83Å; L167-L170 HydrophobicContact CB-CB 4.13Å; L167-L170 WeakPolarHBondContact O-CB 3.32Å; L167-L170 PolarHBondContact O-N 2.94Å; L167-L170 VanDerWaalsContact O-N 3.11Å; L167-P229 VanDerWaalsContact O-CA 3.26Å; L167-P229 WeakPolarHBondContact O-CA 3.31Å
168	D	98.4	Very high	98.6	Very high	40 Å²	40	21.9 Å²	21.9	21%	0.214	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5	179.6	61.3	-6.2	0	0	0	115	K132 R140 K166 L170 K228	K132-D168 IonicContact NZ-OD1 2.74Å; K132-D168 PolarHBondContact NZ-OD1 3.49Å; K132-D168 IonicContact NZ-OD2 3.68Å; K132-D168 PolarHBondContact NZ-OD2 3.14Å; R140-D168 PolarHBondContact NH1-O 2.98Å; R140-D168 VanDerWaalsContact NH1-O 3.11Å; K166-D168 PolarHBondContact O-N 2.85Å; D168-L170 VanDerWaalsContact C-N 3.34Å; D168-K228 WeakPolarHBondContact CA-O 3.48Å
169	N	98.5	Very high	98.6	Very high	13 Å²	13	22.1 Å²	22.1	7%	0.07	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	0.9	165.1	66.3	-34.5	0	0	0	112.8	A128 R140 V141 L167	A128-N169 PolarHBondContact O-ND2 3.12Å; R140-N169 CarbonylContact C-O 3.57Å; R140-N169 WeakPolarHBondContact CA-O 3.32Å; R140-N169 HydrophobicContact CG-CB 4.41Å; V141-N169 PolarHBondContact N-O 3.06Å; L167-N169 PolarHBondContact O-N 2.83Å
170	L	98.8	Very high	98.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.8	175.1	-179.5	63.1	0	0	0	111.5	A124 A125 A128 V141 S162 L167 D168 I172 V230	A124-L170 HydrophobicContact CB-CD1 3.7Å; A125-L170 HydrophobicContact CB-CD2 4.23Å; A128-L170 HydrophobicContact CB-CB 3.91Å; A128-L170 HydrophobicContact CB-CD1 4.48Å; V141-L170 HydrophobicContact CB-CD1 4.04Å; V141-L170 HydrophobicContact CG1-CD1 3.99Å; V141-L170 WeakPolarHBondContact O-CA 3.26Å; S162-L170 WeakPolarHBondContact OG-CD2 3.49Å; L167-L170 HydrophobicContact CB-CB 4.13Å; L167-L170 WeakPolarHBondContact O-CB 3.32Å; L167-L170 PolarHBondContact O-N 2.94Å; L167-L170 VanDerWaalsContact O-N 3.11Å; D168-L170 VanDerWaalsContact C-N 3.34Å; L170-I172 HydrophobicContact CD2-CD1 3.87Å; L170-I172 HydrophobicContact CD2-CG1 4.29Å; L170-I172 HydrophobicContact CG-CD1 3.83Å; L170-I172 HydrophobicContact CG-CG1 4.19Å; L170-V230 PolarHBondContact O-N 3.12Å
171	V	98.8	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.7	172.2	-174.2	0	0	0	0	109.3	V141 Y142 C143 I173 F220 V230 L232	V141-V171 PolarHBondContact O-N 3.27Å; Y142-V171 WeakPolarHBondContact CA-O 3.18Å; Y142-V171 HydrophobicContact CD1-CB 3.69Å; Y142-V171 HydrophobicContact CD1-CG1 4.2Å; Y142-V171 HydrophobicContact CD1-CG2 4.08Å; Y142-V171 HydrophobicContact CE1-CB 3.97Å; Y142-V171 HydrophobicContact CE1-CG1 4.47Å; Y142-V171 HydrophobicContact CE1-CG2 3.84Å; C143-V171 PolarHBondContact N-O 3.04Å; V171-I173 HydrophobicContact CG1-CG1 4.15Å; V171-F220 HydrophobicContact CG1-CE1 4.4Å; V171-V230 WeakPolarHBondContact CA-O 3.46Å; V171-V230 HydrophobicContact CG1-CB 4.49Å; V171-V230 HydrophobicContact CG2-CB 4.48Å; V171-L232 HydrophobicContact CG1-CD1 4.06Å; V171-L232 HydrophobicContact CG1-CG 4.13Å
172	I	98.8	Very high	98	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.5	174.2	-51	95.3	0	0	0	108.7	V121 C143 V145 L159 L170 F174 P229 V230 A231 L232	V121-I172 HydrophobicContact CG1-CG1 4.08Å; V121-I172 HydrophobicContact CG2-CG2 4.13Å; C143-I172 CarbonylContact O-C 3.51Å; C143-I172 WeakPolarHBondContact O-CA 3.33Å; V145-I172 HydrophobicContact CG2-CG2 3.71Å; L159-I172 HydrophobicContact CD2-CD1 3.63Å; L159-I172 HydrophobicContact CD2-CG1 3.95Å; L170-I172 HydrophobicContact CD2-CD1 3.87Å; L170-I172 HydrophobicContact CD2-CG1 4.29Å; L170-I172 HydrophobicContact CG-CD1 3.83Å; L170-I172 HydrophobicContact CG-CG1 4.19Å; I172-F174 HydrophobicContact CB-CE2 4.13Å; I172-F174 HydrophobicContact CG2-CD2 3.97Å; I172-F174 HydrophobicContact CG2-CE2 3.45Å; I172-F174 VanDerWaalsContact CG2-CE2 3.45Å; I172-F174 HydrophobicContact CG2-CZ 3.99Å; I172-P229 HydrophobicContact CD1-CB 4.09Å; I172-V230 WeakPolarHBondContact CD1-O 3.3Å; I172-V230 PolarHBondContact N-O 3.31Å; I172-A231 CarbonylContact O-C 3.5Å; I172-A231 WeakPolarHBondContact O-CA 3.47Å; I172-L232 PolarHBondContact O-N 3.34Å
173	I	98.8	Very high	97.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	107.7	-176.6	-54.2	163.3	0	0	0	107.8	I39 L43 C143 V144 V145 V171 F220 L232	I39-I173 HydrophobicContact CD1-CG2 4.24Å; I39-I173 HydrophobicContact CG2-CD1 4.33Å; I39-I173 HydrophobicContact CG2-CG2 3.94Å; L43-I173 HydrophobicContact CD2-CD1 4.25Å; C143-I173 PolarHBondContact O-N 2.85Å; V144-I173 WeakPolarHBondContact CA-O 3.24Å; V144-I173 HydrophobicContact CG2-CB 4.17Å; V144-I173 HydrophobicContact CG2-CD1 4.08Å; V145-I173 PolarHBondContact N-O 2.89Å; V171-I173 HydrophobicContact CG1-CG1 4.15Å; I173-F220 HydrophobicContact CD1-CE1 3.91Å; I173-F220 HydrophobicContact CD1-CZ 3.84Å; I173-F220 HydrophobicContact CG1-CE1 4.46Å; I173-L232 HydrophobicContact CG1-CD1 4.36Å
174	F	98.7	Very high	97.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	112.9	176.6	-70.5	-99.4	0	0	0	109.5	V145 I155 L159 I172 V176 T198 A231 L232 I233 C234	V145-F174 HydrophobicContact CB-CD1 4.33Å; V145-F174 HydrophobicContact CB-CE1 4.46Å; V145-F174 HydrophobicContact CG1-CD1 4.2Å; V145-F174 HydrophobicContact CG1-CE1 4.11Å; I155-F174 HydrophobicContact CG2-CE1 4.35Å; I155-F174 HydrophobicContact CG2-CZ 4.34Å; L159-F174 HydrophobicContact CD1-CZ 4.34Å; I172-F174 HydrophobicContact CB-CE2 4.13Å; I172-F174 HydrophobicContact CG2-CD2 3.97Å; I172-F174 HydrophobicContact CG2-CE2 3.45Å; I172-F174 VanDerWaalsContact CG2-CE2 3.45Å; I172-F174 HydrophobicContact CG2-CZ 3.99Å; F174-V176 HydrophobicContact CB-CG2 4.26Å; F174-V176 PolarHBondContact O-N 2.65Å; F174-T198 HydrophobicContact CD2-CG2 4.46Å; F174-T198 HydrophobicContact CE2-CG2 3.72Å; F174-T198 HydrophobicContact CZ-CG2 3.82Å; F174-A231 HydrophobicContact CD2-CB 4.48Å; F174-A231 HydrophobicContact CE2-CB 4.16Å; F174-L232 PolarHBondContact N-O 3Å; F174-I233 HydrophobicContact CB-CD1 4.02Å; F174-I233 HydrophobicContact CD2-CD1 3.59Å; F174-I233 HydrophobicContact CE2-CD1 4.27Å; F174-I233 HydrophobicContact CG-CD1 3.91Å; F174-C234 WeakPolarHBondContact O-CB 3.31Å; F174-C234 PolarHBondContact O-N 2.81Å
175	D	98.7	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	92.5	171.1	174.3	47.2	0	0	0	109.7	S35 L36 K67 V145 D147 N177 T236	S35-D175 PolarHBondContact OG-OD1 2.88Å; S35-D175 PolarHBondContact OG-OD2 3.04Å; L36-D175 HydrophobicContact CD2-CB 3.63Å; K67-D175 HydrophobicContact CD-CB 4.24Å; K67-D175 IonicContact NZ-OD2 3.11Å; K67-D175 PolarHBondContact NZ-OD2 3.47Å; V145-D175 PolarHBondContact O-N 3.16Å; D147-D175 PolarHBondContact N-O 3.29Å; D147-D175 VanDerWaalsContact N-O 3.16Å; D175-N177 VanDerWaalsContact C-N 3.32Å; D175-N177 PolarHBondContact O-N 3.42Å; D175-N177 VanDerWaalsContact O-N 3.1Å; D175-N177 PolarHBondContact OD2-ND2 3.3Å; D175-T236 WeakPolarHBondContact OD1-CB 3.24Å; D175-T236 WeakPolarHBondContact OD1-CG2 3.37Å; D175-T236 PolarHBondContact OD1-OG1 3.23Å
176	V	98.7	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	75.1	179.9	-164.1	0	0	0	0	110.4	D147 F174 R178 Q188 H189 L191 Y194 I233 C234 T236	D147-V176 HydrophobicContact CB-CB 4.39Å; D147-V176 HydrophobicContact CB-CG1 4.13Å; D147-V176 HydrophobicContact CB-CG2 4.48Å; F174-V176 HydrophobicContact CB-CG2 4.26Å; F174-V176 PolarHBondContact O-N 2.65Å; V176-R178 VanDerWaalsContact C-N 3.32Å; V176-Q188 WeakPolarHBondContact CG1-O 3.3Å; V176-H189 PolarHBondContact O-CD2 3.31Å; V176-H189 PolarHBondContact O-NE2 2.83Å; V176-L191 HydrophobicContact CB-CD2 3.84Å; V176-L191 HydrophobicContact CG1-CD2 3.8Å; V176-L191 HydrophobicContact CG2-CD2 4.12Å; V176-Y194 HydrophobicContact CG1-CD2 4.17Å; V176-Y194 HydrophobicContact CG1-CE2 3.67Å; V176-Y194 HydrophobicContact CG2-CD2 4.25Å; V176-Y194 HydrophobicContact CG2-CE2 4.36Å; V176-I233 HydrophobicContact CG2-CG2 3.87Å; V176-C234 WeakPolarHBondContact CA-O 3.39Å; V176-C234 WeakPolarHBondContact CB-O 3.48Å; V176-C234 PolarHBondContact N-O 3.34Å; V176-T236 PolarHBondContact O-N 3.16Å; V176-T236 PolarHBondContact O-OG1 2.89Å
177	N	98.5	Very high	97.7	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.027	17%	0.172	C	C	.	.			trans	-89.4	5.6	-177.3	74.1	50.1	0	0	0	114.3	D175 L179 T236 K238	D175-N177 VanDerWaalsContact C-N 3.32Å; D175-N177 PolarHBondContact O-N 3.42Å; D175-N177 VanDerWaalsContact O-N 3.1Å; D175-N177 PolarHBondContact OD2-ND2 3.3Å; N177-L179 PolarHBondContact O-N 3.37Å; N177-L179 PolarHBondContact OD1-N 2.99Å; N177-L179 VanDerWaalsContact OD1-N 3.14Å; N177-L179 PolarHBondContact OD1-O 3.09Å; N177-T236 WeakPolarHBondContact CA-O 3.14Å; N177-T236 VanDerWaalsContact CA-OG1 3.3Å; N177-T236 WeakPolarHBondContact CA-OG1 3.39Å; N177-T236 WeakPolarHBondContact CB-OG1 3.39Å; N177-T236 PolarHBondContact N-OG1 2.88Å; N177-K238 HydrophobicContact CB-CB 4.13Å; N177-K238 PolarHBondContact O-N 3.13Å; N177-K238 VanDerWaalsContact OD1-CE 3.25Å; N177-K238 WeakPolarHBondContact OD1-CE 3.19Å
178	R	98.3	Very high	97.6	Very high	35 Å²	35	37 Å²	37	13%	0.132	19%	0.192	C	C	.	.	S	Bend	trans	71.9	-23.5	176	-158	-175.2	61.6	83.5	-0.1	115.8	D147 V176 P184 T185 Q188 D247	D147-R178 WeakPolarHBondContact OD2-CA 3.42Å; D147-R178 PolarHBondContact OD2-N 3.18Å; V176-R178 VanDerWaalsContact C-N 3.32Å; R178-P184 CarbonylContact O-C 3.57Å; R178-P184 VanDerWaalsContact O-CA 3.27Å; R178-P184 WeakPolarHBondContact O-CA 3.49Å; R178-T185 PolarHBondContact O-N 2.85Å; R178-T185 PolarHBondContact O-OG1 3.38Å; R178-Q188 HydrophobicContact CG-CB 3.6Å; R178-Q188 HydrophobicContact CG-CG 4.05Å; R178-D247 IonicContact CZ-OD1 3.74Å; R178-D247 IonicContact CZ-OD2 3.71Å; R178-D247 IonicContact NE-OD1 2.76Å; R178-D247 PolarHBondContact NE-OD1 3.13Å; R178-D247 IonicContact NE-OD2 3.77Å; R178-D247 PolarHBondContact NH2-O 3.08Å; R178-D247 IonicContact NH2-OD1 3.33Å; R178-D247 PolarHBondContact NH2-OD1 2.78Å; R178-D247 IonicContact NH2-OD2 3.47Å
179	L	98	Very high	97.6	Very high	6 Å²	6	37 Å²	37	3%	0.031	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-112.8	132.4	-166.3	-68.8	-177.6	0	0	0	111.4	N177 P184 K238 Q248 E249	N177-L179 PolarHBondContact O-N 3.37Å; N177-L179 PolarHBondContact OD1-N 2.99Å; N177-L179 VanDerWaalsContact OD1-N 3.14Å; N177-L179 PolarHBondContact OD1-O 3.09Å; L179-P184 HydrophobicContact CD2-CB 4.23Å; L179-P184 HydrophobicContact CD2-CG 3.98Å; L179-K238 HydrophobicContact CB-CB 4.29Å; L179-K238 HydrophobicContact CB-CD 3.84Å; L179-K238 HydrophobicContact CD1-CB 4.17Å; L179-K238 HydrophobicContact CD1-CD 4.22Å; L179-K238 WeakPolarHBondContact O-CE 3.35Å; L179-K238 PolarHBondContact O-NZ 2.81Å; L179-Q248 WeakPolarHBondContact CD1-O 3.4Å; L179-E249 HydrophobicContact CD2-CG 3.93Å
180	G	95.2	Very high	97.6	Very high	21 Å²	21	41.9 Å²	41.9	22%	0.216	21%	0.213	C	C	.	.			trans	-85	-153.4	167.7	0	0	0	0	0	111.8	Q183 K238	G180-Q183 WeakPolarHBondContact CA-O 3.45Å; G180-Q183 PolarHBondContact N-O 3.39Å; G180-K238 PolarHBondContact O-NZ 3.42Å
181	Q	93.7	Very high	97.6	Very high	150 Å²	150	43.1 Å²	43.1	70%	0.701	22%	0.219	S	C	*	.	S	Bend	trans	-73.4	-45.9	176.6	172.7	163.7	-17.7	0	0	112.5	H252	Q181-H252 WeakPolarHBondContact O-CB 3.41Å
182	S	94.1	Very high	97.6	Very high	82 Å²	82	47 Å²	47	57%	0.573	24%	0.238	S	C	*	.	S	Bend	trans	-118.7	-12.6	-171.6	55.8	0	0	0	0	114.8
183	Q	95.7	Very high	97.6	Very high	127 Å²	127	48 Å²	48	59%	0.593	25%	0.245	S	C	*	.	S	Bend	trans	-161.6	173.5	-173.5	63.3	177.9	64	0	0	110.1	G180	G180-Q183 WeakPolarHBondContact CA-O 3.45Å; G180-Q183 PolarHBondContact N-O 3.39Å
184	P	98.1	Very high	97.6	Very high	30 Å²	30	48.1 Å²	48.1	20%	0.195	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-57.2	145.9	170.7	-24.2	35.6	0	0	0	113.2	R178 L179 Q188	R178-P184 CarbonylContact O-C 3.57Å; R178-P184 VanDerWaalsContact O-CA 3.27Å; R178-P184 WeakPolarHBondContact O-CA 3.49Å; L179-P184 HydrophobicContact CD2-CB 4.23Å; L179-P184 HydrophobicContact CD2-CG 3.98Å; P184-Q188 HydrophobicContact CB-CG 3.75Å
185	T	97.9	Very high	97.6	Very high	11 Å²	11	50.7 Å²	50.7	7%	0.067	26%	0.256	C	S	.	.			trans	-67.1	159.2	175.2	58.8	0	0	0	0	110.9	D147 R178 L187 Q188	D147-T185 VanDerWaalsContact OD2-CG2 3.29Å; D147-T185 WeakPolarHBondContact OD2-CG2 3.25Å; D147-T185 PolarHBondContact OD2-OG1 2.86Å; R178-T185 PolarHBondContact O-N 2.85Å; R178-T185 PolarHBondContact O-OG1 3.38Å; T185-L187 VanDerWaalsContact C-N 3.26Å; T185-L187 PolarHBondContact O-N 3.29Å; T185-L187 VanDerWaalsContact O-N 3.14Å; T185-Q188 WeakPolarHBondContact O-CG 3.35Å; T185-Q188 PolarHBondContact O-N 3.22Å; T185-Q188 VanDerWaalsContact O-N 3.1Å; T185-Q188 PolarHBondContact OG1-N 3.2Å
186	Q	96.6	Very high	97.5	Very high	139 Å²	139	54.9 Å²	54.9	65%	0.65	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-40.5	-171.7	-175.6	-175.2	3.3	0	0	113.8
187	L	97.6	Very high	97.5	Very high	28 Å²	28	59 Å²	59	15%	0.147	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-6.8	-179.4	-64.1	178.8	0	0	0	113.5	T185 H189 H190 A193 Y194	T185-L187 VanDerWaalsContact C-N 3.26Å; T185-L187 PolarHBondContact O-N 3.29Å; T185-L187 VanDerWaalsContact O-N 3.14Å; L187-H189 PolarHBondContact O-N 3.39Å; L187-H190 HydrophobicContact CB-CB 4.4Å; L187-H190 WeakPolarHBondContact O-CB 3.31Å; L187-H190 PolarHBondContact O-N 2.86Å; L187-A193 HydrophobicContact CD1-CB 3.93Å; L187-A193 HydrophobicContact CD2-CB 4.21Å; L187-Y194 HydrophobicContact CB-CD2 4.31Å; L187-Y194 HydrophobicContact CB-CE2 3.47Å; L187-Y194 VanDerWaalsContact CB-CE2 3.47Å; L187-Y194 WeakPolarHBondContact CB-OH 3.3Å; L187-Y194 HydrophobicContact CD1-CD1 4.11Å; L187-Y194 HydrophobicContact CD1-CD2 4.08Å; L187-Y194 HydrophobicContact CD1-CE1 3.87Å; L187-Y194 HydrophobicContact CD1-CE2 3.85Å; L187-Y194 HydrophobicContact CD1-CG 4.21Å; L187-Y194 HydrophobicContact CG-CE2 4.32Å
188	Q	98.2	Very high	97.5	Very high	89 Å²	89	58.7 Å²	58.7	42%	0.416	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	-129.8	-179.5	-61.8	-167.2	54.1	0	0	110.8	V176 R178 P184 T185 H190	V176-Q188 WeakPolarHBondContact CG1-O 3.3Å; R178-Q188 HydrophobicContact CG-CB 3.6Å; R178-Q188 HydrophobicContact CG-CG 4.05Å; P184-Q188 HydrophobicContact CB-CG 3.75Å; T185-Q188 WeakPolarHBondContact O-CG 3.35Å; T185-Q188 PolarHBondContact O-N 3.22Å; T185-Q188 VanDerWaalsContact O-N 3.1Å; T185-Q188 PolarHBondContact OG1-N 3.2Å; Q188-H190 VanDerWaalsContact C-N 3.34Å; Q188-H190 PolarHBondContact O-N 3.45Å
189	H	98.4	Very high	97.6	Very high	42 Å²	42	60.7 Å²	60.7	19%	0.194	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	29.5	173.1	-69.9	141	0	0	0	114.2	V176 L187 L191 T236 Y237	V176-H189 PolarHBondContact O-CD2 3.31Å; V176-H189 PolarHBondContact O-NE2 2.83Å; L187-H189 PolarHBondContact O-N 3.39Å; H189-L191 PolarHBondContact O-N 3.13Å; H189-T236 PolarHBondContact CE1-O 3.34Å; H189-T236 PolarHBondContact NE2-O 3.46Å; H189-Y237 AromaticContact CE1-CD1 3.56Å; H189-Y237 AromaticContact CE1-CE1 3.31Å; H189-Y237 WeakPolarHBondContact CE1-CE1 3.31Å; H189-Y237 AromaticContact CE1-CZ 3.98Å; H189-Y237 AromaticContact ND1-CE1 3.95Å
190	H	98.3	Very high	97.6	Very high	114 Å²	114	64.4 Å²	64.4	53%	0.528	33%	0.334	S	S	.	.			trans	-76.6	63.5	171.3	-161.1	-52.1	0	0	0	110.8	L187 Q188 E192 A193	L187-H190 HydrophobicContact CB-CB 4.4Å; L187-H190 WeakPolarHBondContact O-CB 3.31Å; L187-H190 PolarHBondContact O-N 2.86Å; Q188-H190 VanDerWaalsContact C-N 3.34Å; Q188-H190 PolarHBondContact O-N 3.45Å; H190-E192 PolarHBondContact O-N 2.83Å; H190-E192 VanDerWaalsContact O-N 3.11Å; H190-A193 HydrophobicContact CB-CB 4.41Å; H190-A193 VanDerWaalsContact ND1-CB 3.33Å; H190-A193 WeakPolarHBondContact ND1-CB 3.25Å; H190-A193 PolarHBondContact ND1-N 3.05Å; H190-A193 WeakPolarHBondContact O-CB 3.36Å; H190-A193 PolarHBondContact O-N 2.77Å
191	L	98.6	Very high	97.7	Very high	26 Å²	26	67 Å²	67	14%	0.136	34%	0.34	C	S	.	.	H	α-helix	trans	-53.9	-36.3	-172.5	-53.5	175.7	0	0	0	113.1	V176 H189 A193 Y194 R195 V207 I233 K235	V176-L191 HydrophobicContact CB-CD2 3.84Å; V176-L191 HydrophobicContact CG1-CD2 3.8Å; V176-L191 HydrophobicContact CG2-CD2 4.12Å; H189-L191 PolarHBondContact O-N 3.13Å; L191-A193 PolarHBondContact O-N 3.3Å; L191-Y194 WeakPolarHBondContact O-CB 3.41Å; L191-Y194 PolarHBondContact O-N 3.23Å; L191-Y194 VanDerWaalsContact O-N 3.15Å; L191-R195 PolarHBondContact O-N 2.85Å; L191-V207 HydrophobicContact CB-CG1 3.93Å; L191-V207 HydrophobicContact CB-CG2 4.33Å; L191-V207 HydrophobicContact CD1-CG1 3.64Å; L191-V207 HydrophobicContact CG-CG1 4.39Å; L191-I233 HydrophobicContact CB-CG2 4.3Å; L191-I233 HydrophobicContact CD2-CG2 4.22Å; L191-K235 HydrophobicContact CD1-CB 3.6Å; L191-K235 HydrophobicContact CD1-CD 3.95Å; L191-K235 HydrophobicContact CD1-CG 3.84Å; L191-K235 HydrophobicContact CD2-CB 4.07Å; L191-K235 HydrophobicContact CD2-CG 4.19Å; L191-K235 HydrophobicContact CG-CB 4.46Å; L191-K235 HydrophobicContact CG-CG 4.5Å
192	E	98.4	Very high	97.9	Very high	83 Å²	83	60.8 Å²	60.8	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-31.8	178.8	-175.4	57.2	-163.4	0	0	112.5	H190 R195 L196	H190-E192 PolarHBondContact O-N 2.83Å; H190-E192 VanDerWaalsContact O-N 3.11Å; E192-R195 VanDerWaalsContact CD-NE 3.34Å; E192-R195 PolarHBondContact O-N 3.08Å; E192-R195 IonicContact OE1-CZ 2.81Å; E192-R195 VanDerWaalsContact OE1-CZ 3.31Å; E192-R195 IonicContact OE1-NE 3.5Å; E192-R195 PolarHBondContact OE1-NE 3.48Å; E192-R195 IonicContact OE1-NH2 3.82Å; E192-R195 PolarHBondContact OE1-NH2 3.08Å; E192-R195 IonicContact OE2-CZ 3.84Å; E192-R195 IonicContact OE2-NE 2.62Å; E192-R195 PolarHBondContact OE2-NE 2.85Å; E192-R195 IonicContact OE2-NH2 2.77Å; E192-L196 HydrophobicContact CG-CD1 4.1Å; E192-L196 HydrophobicContact CG-CG 4.47Å; E192-L196 WeakPolarHBondContact O-CB 3.26Å; E192-L196 VanDerWaalsContact O-CG 3.23Å; E192-L196 WeakPolarHBondContact O-CG 3.42Å; E192-L196 PolarHBondContact O-N 2.77Å
193	A	98.3	Very high	98.2	Very high	19 Å²	19	57 Å²	57	16%	0.157	29%	0.289	C	S	.	.	H	α-helix	trans	-71.4	-38.8	176.5	0	0	0	0	0	110.8	L187 H190 L191 R197	L187-A193 HydrophobicContact CD1-CB 3.93Å; L187-A193 HydrophobicContact CD2-CB 4.21Å; H190-A193 HydrophobicContact CB-CB 4.41Å; H190-A193 VanDerWaalsContact ND1-CB 3.33Å; H190-A193 WeakPolarHBondContact ND1-CB 3.25Å; H190-A193 PolarHBondContact ND1-N 3.05Å; H190-A193 WeakPolarHBondContact O-CB 3.36Å; H190-A193 PolarHBondContact O-N 2.77Å; L191-A193 PolarHBondContact O-N 3.3Å; A193-R197 WeakPolarHBondContact O-CB 3.44Å; A193-R197 WeakPolarHBondContact O-CG 3.16Å; A193-R197 PolarHBondContact O-N 3.01Å
194	Y	98.6	Very high	98.3	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-48.5	172.1	-70.5	-78.1	0	0	0	111.1	D147 S150 V176 L187 L191 L196 R197 T198 I233	D147-Y194 HydrophobicContact CB-CE1 4.42Å; S150-Y194 WeakPolarHBondContact OG-CE1 3.22Å; V176-Y194 HydrophobicContact CG1-CD2 4.17Å; V176-Y194 HydrophobicContact CG1-CE2 3.67Å; V176-Y194 HydrophobicContact CG2-CD2 4.25Å; V176-Y194 HydrophobicContact CG2-CE2 4.36Å; L187-Y194 HydrophobicContact CB-CD2 4.31Å; L187-Y194 HydrophobicContact CB-CE2 3.47Å; L187-Y194 VanDerWaalsContact CB-CE2 3.47Å; L187-Y194 WeakPolarHBondContact CB-OH 3.3Å; L187-Y194 HydrophobicContact CD1-CD1 4.11Å; L187-Y194 HydrophobicContact CD1-CD2 4.08Å; L187-Y194 HydrophobicContact CD1-CE1 3.87Å; L187-Y194 HydrophobicContact CD1-CE2 3.85Å; L187-Y194 HydrophobicContact CD1-CG 4.21Å; L187-Y194 HydrophobicContact CG-CE2 4.32Å; L191-Y194 WeakPolarHBondContact O-CB 3.41Å; L191-Y194 PolarHBondContact O-N 3.23Å; L191-Y194 VanDerWaalsContact O-N 3.15Å; Y194-L196 PolarHBondContact O-N 3.38Å; Y194-R197 PolarHBondContact O-N 3.4Å; Y194-T198 PolarHBondContact O-N 3.4Å; Y194-T198 PolarHBondContact O-OG1 3.23Å; Y194-I233 HydrophobicContact CG-CG2 4.46Å
195	R	98.7	Very high	98.3	Very high	53 Å²	53	52.8 Å²	52.8	20%	0.2	27%	0.267	C	S	.	.	H	α-helix	trans	-56.5	-49.7	177.7	-169.3	-166.4	72.4	74.3	6.8	111.9	L191 E192 R197 T198 E199 V207 I233	L191-R195 PolarHBondContact O-N 2.85Å; E192-R195 VanDerWaalsContact CD-NE 3.34Å; E192-R195 PolarHBondContact O-N 3.08Å; E192-R195 IonicContact OE1-CZ 2.81Å; E192-R195 VanDerWaalsContact OE1-CZ 3.31Å; E192-R195 IonicContact OE1-NE 3.5Å; E192-R195 PolarHBondContact OE1-NE 3.48Å; E192-R195 IonicContact OE1-NH2 3.82Å; E192-R195 PolarHBondContact OE1-NH2 3.08Å; E192-R195 IonicContact OE2-CZ 3.84Å; E192-R195 IonicContact OE2-NE 2.62Å; E192-R195 PolarHBondContact OE2-NE 2.85Å; E192-R195 IonicContact OE2-NH2 2.77Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R195-R197 PolarHBondContact O-N 2.79Å; R195-T198 PolarHBondContact O-N 2.77Å; R195-T198 PolarHBondContact O-OG1 3.47Å; R195-E199 IonicContact CZ-OE1 3.7Å; R195-E199 IonicContact CZ-OE2 3.15Å; R195-E199 IonicContact NH1-OE1 2.69Å; R195-E199 PolarHBondContact NH1-OE1 3.44Å; R195-E199 IonicContact NH1-OE2 2.75Å; R195-E199 PolarHBondContact NH1-OE2 3.32Å; R195-E199 IonicContact NH2-OE2 2.69Å; R195-E199 WeakPolarHBondContact O-CB 3.29Å; R195-E199 WeakPolarHBondContact O-CG 3.38Å; R195-E199 PolarHBondContact O-N 2.78Å; R195-V207 HydrophobicContact CB-CG2 3.86Å; R195-V207 HydrophobicContact CG-CG2 4.04Å; R195-I233 HydrophobicContact CB-CG1 4.44Å
196	L	98.6	Very high	98.3	Very high	89 Å²	89	53.9 Å²	53.9	47%	0.466	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-39.2	179.2	-73.5	170.3	0	0	0	112.1	E192 Y194 A200	E192-L196 HydrophobicContact CG-CD1 4.1Å; E192-L196 HydrophobicContact CG-CG 4.47Å; E192-L196 WeakPolarHBondContact O-CB 3.26Å; E192-L196 VanDerWaalsContact O-CG 3.23Å; E192-L196 WeakPolarHBondContact O-CG 3.42Å; E192-L196 PolarHBondContact O-N 2.77Å; Y194-L196 PolarHBondContact O-N 3.38Å; L196-A200 WeakPolarHBondContact O-CB 3.11Å; L196-A200 PolarHBondContact O-N 3.21Å
197	R	98.4	Very high	98.4	Very high	85 Å²	85	50 Å²	50	32%	0.321	26%	0.258	S	S	.	.	H	α-helix	trans	-63.3	-51.4	175.4	-74	173.3	-178.2	-167	1.3	110.9	W156 A193 Y194 R195 E199 A200 F201	W156-R197 HydrophobicContact CE3-CB 4.49Å; W156-R197 HydrophobicContact CH2-CB 3.66Å; W156-R197 HydrophobicContact CH2-CG 4.4Å; W156-R197 HydrophobicContact CZ3-CB 3.62Å; A193-R197 WeakPolarHBondContact O-CB 3.44Å; A193-R197 WeakPolarHBondContact O-CG 3.16Å; A193-R197 PolarHBondContact O-N 3.01Å; Y194-R197 PolarHBondContact O-N 3.4Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R195-R197 PolarHBondContact O-N 2.79Å; R197-E199 VanDerWaalsContact C-N 3.31Å; R197-E199 PolarHBondContact O-N 3.32Å; R197-A200 WeakPolarHBondContact O-CB 3.4Å; R197-A200 PolarHBondContact O-N 3.16Å; R197-A200 VanDerWaalsContact O-N 3.12Å; R197-F201 WeakPolarHBondContact O-CD2 3.34Å; R197-F201 PolarHBondContact O-N 2.98Å
198	T	98.7	Very high	98.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-35.8	-178.8	53.9	0	0	0	0	112.5	W156 L159 F174 Y194 R195 F201 G202 C203 S205 A231 I233	W156-T198 HydrophobicContact CZ3-CG2 4.06Å; L159-T198 HydrophobicContact CD1-CG2 3.9Å; F174-T198 HydrophobicContact CD2-CG2 4.46Å; F174-T198 HydrophobicContact CE2-CG2 3.72Å; F174-T198 HydrophobicContact CZ-CG2 3.82Å; Y194-T198 PolarHBondContact O-N 3.4Å; Y194-T198 PolarHBondContact O-OG1 3.23Å; R195-T198 PolarHBondContact O-N 2.77Å; R195-T198 PolarHBondContact O-OG1 3.47Å; T198-F201 CarbonylContact O-C 3.6Å; T198-F201 PolarHBondContact O-N 2.52Å; T198-G202 PolarHBondContact O-N 3.32Å; T198-C203 VanDerWaalsContact O-CB 3.32Å; T198-C203 WeakPolarHBondContact O-CB 3.34Å; T198-C203 PolarHBondContact O-N 3.32Å; T198-C203 VanDerWaalsContact O-N 3.11Å; T198-S205 WeakPolarHBondContact CB-OG 3.2Å; T198-S205 WeakPolarHBondContact OG1-CB 3.38Å; T198-S205 PolarHBondContact OG1-OG 3.05Å; T198-A231 HydrophobicContact CG2-CB 3.97Å; T198-I233 HydrophobicContact CG2-CD1 4.09Å
199	E	98.4	Very high	98.5	Very high	77 Å²	77	47.6 Å²	47.6	36%	0.36	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-38.4	171.7	-75.5	-171	170.5	0	0	113.1	R195 R197 F201 G202 S205	R195-E199 IonicContact CZ-OE1 3.7Å; R195-E199 IonicContact CZ-OE2 3.15Å; R195-E199 IonicContact NH1-OE1 2.69Å; R195-E199 PolarHBondContact NH1-OE1 3.44Å; R195-E199 IonicContact NH1-OE2 2.75Å; R195-E199 PolarHBondContact NH1-OE2 3.32Å; R195-E199 IonicContact NH2-OE2 2.69Å; R195-E199 WeakPolarHBondContact O-CB 3.29Å; R195-E199 WeakPolarHBondContact O-CG 3.38Å; R195-E199 PolarHBondContact O-N 2.78Å; R197-E199 VanDerWaalsContact C-N 3.31Å; R197-E199 PolarHBondContact O-N 3.32Å; E199-F201 PolarHBondContact O-N 3.13Å; E199-G202 WeakPolarHBondContact O-CA 3.41Å; E199-G202 PolarHBondContact O-N 3.35Å; E199-S205 WeakPolarHBondContact CG-OG 3.32Å; E199-S205 PolarHBondContact N-OG 3.31Å
200	A	98.5	Very high	98.5	Very high	84 Å²	84	45.6 Å²	45.6	69%	0.694	24%	0.239	S	C	*	.	H	α-helix	trans	-62.2	-29.8	176.1	0	0	0	0	0	112.3	L196 R197 G202	L196-A200 WeakPolarHBondContact O-CB 3.11Å; L196-A200 PolarHBondContact O-N 3.21Å; R197-A200 WeakPolarHBondContact O-CB 3.4Å; R197-A200 PolarHBondContact O-N 3.16Å; R197-A200 VanDerWaalsContact O-N 3.12Å; A200-G202 VanDerWaalsContact C-N 3.26Å; A200-G202 PolarHBondContact O-N 3.1Å
201	F	98.5	Very high	98.5	Very high	76 Å²	76	41.7 Å²	41.7	33%	0.333	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	11.8	171	-69.8	-81.1	0	0	0	113.6	W156 L159 S163 R197 T198 E199	W156-F201 HydrophobicContact CB-CD1 4.36Å; W156-F201 HydrophobicContact CB-CD2 4.32Å; W156-F201 HydrophobicContact CB-CE1 3.88Å; W156-F201 HydrophobicContact CB-CE2 3.87Å; W156-F201 HydrophobicContact CB-CZ 3.64Å; W156-F201 HydrophobicContact CD2-CD2 4.26Å; W156-F201 AromaticContact CD2-CE2 3.96Å; W156-F201 HydrophobicContact CD2-CE2 3.96Å; W156-F201 AromaticContact CE3-CD2 3.47Å; W156-F201 HydrophobicContact CE3-CD2 3.47Å; W156-F201 VanDerWaalsContact CE3-CD2 3.47Å; W156-F201 AromaticContact CE3-CE2 3.6Å; W156-F201 HydrophobicContact CE3-CE2 3.6Å; W156-F201 HydrophobicContact CE3-CG 4.36Å; W156-F201 HydrophobicContact CG-CE2 4.09Å; W156-F201 HydrophobicContact CG-CZ 4.24Å; W156-F201 HydrophobicContact CZ3-CD2 4.22Å; W156-F201 HydrophobicContact CZ3-CE2 4.49Å; W156-F201 WeakPolarHBondContact O-CD1 3.33Å; L159-F201 HydrophobicContact CB-CB 3.74Å; L159-F201 HydrophobicContact CB-CG 4.43Å; L159-F201 HydrophobicContact CD1-CB 4.43Å; S163-F201 VanDerWaalsContact CB-O 3.26Å; S163-F201 WeakPolarHBondContact CB-O 3.39Å; R197-F201 WeakPolarHBondContact O-CD2 3.34Å; R197-F201 PolarHBondContact O-N 2.98Å; T198-F201 CarbonylContact O-C 3.6Å; T198-F201 PolarHBondContact O-N 2.52Å; E199-F201 PolarHBondContact O-N 3.13Å
202	G	98.3	Very high	98.5	Very high	18 Å²	18	42.5 Å²	42.5	19%	0.186	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	21.6	167.7	0	0	0	0	0	115.6	S163 T198 E199 A200	S163-G202 WeakPolarHBondContact OG-CA 3.28Å; S163-G202 PolarHBondContact OG-O 3.09Å; T198-G202 PolarHBondContact O-N 3.32Å; E199-G202 WeakPolarHBondContact O-CA 3.41Å; E199-G202 PolarHBondContact O-N 3.35Å; A200-G202 VanDerWaalsContact C-N 3.26Å; A200-G202 PolarHBondContact O-N 3.1Å
203	C	98.6	Very high	98.5	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.027	21%	0.208	C	C	.	.			trans	-83.7	155.6	172.9	-57.9	0	0	0	0	112.3	T198 P229 A231	T198-C203 VanDerWaalsContact O-CB 3.32Å; T198-C203 WeakPolarHBondContact O-CB 3.34Å; T198-C203 PolarHBondContact O-N 3.32Å; T198-C203 VanDerWaalsContact O-N 3.11Å; C203-P229 CarbonylContact C-O 3.58Å; C203-P229 VanDerWaalsContact CA-O 3.3Å; C203-P229 WeakPolarHBondContact CA-O 3.38Å; C203-P229 WeakPolarHBondContact CB-O 3.21Å; C203-A231 HydrophobicContact CB-CB 4.03Å
204	H	98.4	Very high	98.5	Very high	58 Å²	58	42.2 Å²	42.2	27%	0.269	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	113.2	157	177.4	74.2	0	0	0	108.3	Q226 K228 P229 V230 A231	H204-Q226 HydrophobicContact CB-CB 4.09Å; H204-Q226 HydrophobicContact CB-CG 4.18Å; H204-K228 HydrophobicContact CB-CB 4.46Å; H204-P229 PolarHBondContact N-O 3Å; H204-V230 HydrophobicContact CB-CG2 4.4Å; H204-V230 CarbonylContact O-C 3.55Å; H204-V230 WeakPolarHBondContact O-CA 3.39Å; H204-A231 PolarHBondContact O-N 3.2Å
205	S	98.5	Very high	98.4	Very high	9 Å²	9	45.8 Å²	45.8	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.5	-169.1	-49.5	0	0	0	0	111.9	T198 E199 A231	T198-S205 WeakPolarHBondContact CB-OG 3.2Å; T198-S205 WeakPolarHBondContact OG1-CB 3.38Å; T198-S205 PolarHBondContact OG1-OG 3.05Å; E199-S205 WeakPolarHBondContact CG-OG 3.32Å; E199-S205 PolarHBondContact N-OG 3.31Å; S205-A231 CarbonylContact C-O 3.53Å; S205-A231 VanDerWaalsContact CA-O 3.26Å; S205-A231 WeakPolarHBondContact CA-O 3.49Å
206	I	98.3	Very high	98.4	Very high	34 Å²	34	43.2 Å²	43.2	17%	0.174	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.8	-177.9	-50.5	175.3	0	0	0	108.8	V219 C222 A231 L232 I233	I206-V219 HydrophobicContact CG2-CG1 3.83Å; I206-C222 HydrophobicContact CD1-CB 4.45Å; I206-A231 PolarHBondContact N-O 3.37Å; I206-L232 HydrophobicContact CB-CD2 4.04Å; I206-L232 HydrophobicContact CD1-CD2 4.07Å; I206-L232 HydrophobicContact CG1-CD2 4.35Å; I206-I233 PolarHBondContact O-N 2.58Å
207	V	98.6	Very high	98.4	Very high	57 Å²	57	40 Å²	40	35%	0.345	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.3	169.9	177.9	0	0	0	0	108.7	L191 R195 I233	L191-V207 HydrophobicContact CB-CG1 3.93Å; L191-V207 HydrophobicContact CB-CG2 4.33Å; L191-V207 HydrophobicContact CD1-CG1 3.64Å; L191-V207 HydrophobicContact CG-CG1 4.39Å; R195-V207 HydrophobicContact CB-CG2 3.86Å; R195-V207 HydrophobicContact CG-CG2 4.04Å; V207-I233 WeakPolarHBondContact CA-O 3.33Å; V207-I233 HydrophobicContact CG2-CB 4.11Å; V207-I233 HydrophobicContact CG2-CG2 4.46Å
208	V	98.4	Very high	98.3	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.6	-175.3	67.5	0	0	0	0	111.1	G210 E215 L216 V219 I233 C234 K235	V208-G210 PolarHBondContact O-N 3.4Å; V208-E215 HydrophobicContact CG2-CB 3.63Å; V208-E215 WeakPolarHBondContact CG2-OE2 3.46Å; V208-L216 HydrophobicContact CG1-CD2 4.47Å; V208-V219 HydrophobicContact CB-CG1 4.19Å; V208-V219 HydrophobicContact CB-CG2 4.47Å; V208-V219 HydrophobicContact CG1-CG2 4.46Å; V208-V219 HydrophobicContact CG2-CG1 3.86Å; V208-V219 HydrophobicContact CG2-CG2 4.08Å; V208-I233 PolarHBondContact N-O 3.44Å; V208-C234 HydrophobicContact CG1-CB 4.18Å; V208-C234 WeakPolarHBondContact CG1-SG 3.26Å; V208-C234 WeakPolarHBondContact O-CA 3.31Å; V208-K235 PolarHBondContact O-N 2.93Å
209	D	98.6	Very high	98.3	Very high	64 Å²	64	43.3 Å²	43.3	34%	0.342	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	109.6	164.5	-175.3	-9.9	0	0	0	109.4	H211 N212 E215	D209-H211 PolarHBondContact O-N 3.43Å; D209-H211 PolarHBondContact OD1-N 2.75Å; D209-N212 HydrophobicContact CB-CB 3.83Å; D209-N212 PolarHBondContact O-N 2.9Å; D209-N212 VanDerWaalsContact O-N 3.15Å; D209-E215 PolarHBondContact N-OE2 3.23Å; D209-E215 VanDerWaalsContact N-OE2 3.13Å
210	G	98.6	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-8	-177.5	0	0	0	0	0	114.3	E38 V208 K235	E38-G210 WeakPolarHBondContact CB-O 3.43Å; V208-G210 PolarHBondContact O-N 3.4Å; G210-K235 WeakPolarHBondContact CA-O 3.49Å; G210-K235 PolarHBondContact N-O 2.81Å
211	H	98.5	Very high	98	Very high	32 Å²	32	41.9 Å²	41.9	15%	0.148	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	1.5	174.4	-61.4	-49	0	0	0	113.2	S35 E38 D209 T236 Y237 Q240	S35-H211 PolarHBondContact O-CE1 3.02Å; E38-H211 IonicContact OE2-CE1 3.71Å; E38-H211 IonicContact OE2-CG 3.99Å; E38-H211 IonicContact OE2-ND1 3.18Å; E38-H211 PolarHBondContact OE2-ND1 3.04Å; D209-H211 PolarHBondContact O-N 3.43Å; D209-H211 PolarHBondContact OD1-N 2.75Å; H211-T236 VanDerWaalsContact NE2-CA 3.27Å; H211-T236 WeakPolarHBondContact NE2-CA 3.27Å; H211-Y237 AromaticContact CD2-CD2 3.91Å; H211-Y237 AromaticContact NE2-CD2 3.96Å; H211-Y237 PolarHBondContact NE2-N 3.24Å; H211-Q240 PolarHBondContact CD2-OE1 2.65Å; H211-Q240 VanDerWaalsContact CE1-CG 3.49Å; H211-Q240 WeakPolarHBondContact CE1-CG 3.4Å; H211-Q240 PolarHBondContact NE2-OE1 2.86Å
212	N	98.5	Very high	97.8	Very high	43 Å²	43	41 Å²	41	23%	0.23	21%	0.213	C	C	.	.			trans	-100	104.9	178.2	-173.6	-35.2	0	0	0	110.6	D209 E214 E215 L216	D209-N212 HydrophobicContact CB-CB 3.83Å; D209-N212 PolarHBondContact O-N 2.9Å; D209-N212 VanDerWaalsContact O-N 3.15Å; N212-E214 VanDerWaalsContact C-N 3.34Å; N212-E214 PolarHBondContact O-N 3.47Å; N212-E214 WeakPolarHBondContact OD1-CB 3.47Å; N212-E214 PolarHBondContact OD1-N 3.21Å; N212-E214 VanDerWaalsContact OD1-N 3.09Å; N212-E214 PolarHBondContact OD1-OE2 2.85Å; N212-E215 HydrophobicContact CB-CB 4.02Å; N212-E215 HydrophobicContact CB-CG 4.13Å; N212-E215 PolarHBondContact ND2-OE1 3.17Å; N212-E215 PolarHBondContact O-N 2.69Å; N212-E215 PolarHBondContact OD1-N 2.54Å; N212-L216 VanDerWaalsContact O-CG 3.32Å; N212-L216 WeakPolarHBondContact O-CG 3.42Å; N212-L216 PolarHBondContact O-N 2.98Å
213	I	98.2	Very high	97.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-59.9	-42.1	-179	-67	-67.4	0	0	0	112	V4 L7 K8 E38 V42 E215 L216 L217	V4-I213 HydrophobicContact CB-CG2 4.42Å; V4-I213 HydrophobicContact CG1-CB 4.29Å; V4-I213 HydrophobicContact CG1-CG2 4.05Å; V4-I213 HydrophobicContact CG2-CG2 4.46Å; L7-I213 HydrophobicContact CB-CD1 4.08Å; L7-I213 HydrophobicContact CB-CG1 4.47Å; L7-I213 HydrophobicContact CB-CG2 3.86Å; L7-I213 HydrophobicContact CD1-CG2 3.8Å; K8-I213 HydrophobicContact CG-CG1 3.89Å; E38-I213 HydrophobicContact CB-CD1 3.65Å; E38-I213 HydrophobicContact CB-CG1 4.45Å; E38-I213 HydrophobicContact CG-CD1 3.81Å; E38-I213 HydrophobicContact CG-CG1 4.18Å; V42-I213 HydrophobicContact CG2-CD1 3.56Å; V42-I213 HydrophobicContact CG2-CG2 4.24Å; I213-E215 VanDerWaalsContact C-N 3.34Å; I213-E215 PolarHBondContact O-N 2.82Å; I213-L216 HydrophobicContact CD1-CD1 4.48Å; I213-L216 PolarHBondContact O-N 3.02Å; I213-L217 HydrophobicContact CG2-CD1 3.97Å; I213-L217 HydrophobicContact CG2-CG 4.38Å; I213-L217 WeakPolarHBondContact O-CB 3.36Å; I213-L217 VanDerWaalsContact O-CG 3.27Å; I213-L217 WeakPolarHBondContact O-CG 3.49Å; I213-L217 PolarHBondContact O-N 3.03Å
214	E	98.1	Very high	97.4	Very high	95 Å²	95	44 Å²	44	44%	0.444	22%	0.218	S	C	.	.	H	α-helix	trans	-62.6	-41.3	178.8	-66.7	94.3	151.1	0	0	112	V4 K8 N212 K218	V4-E214 HydrophobicContact CG1-CG 4.22Å; V4-E214 WeakPolarHBondContact CG1-OE1 3.5Å; V4-E214 HydrophobicContact CG2-CG 3.86Å; K8-E214 IonicContact NZ-OE1 3.47Å; K8-E214 IonicContact NZ-OE2 2.77Å; N212-E214 VanDerWaalsContact C-N 3.34Å; N212-E214 PolarHBondContact O-N 3.47Å; N212-E214 WeakPolarHBondContact OD1-CB 3.47Å; N212-E214 PolarHBondContact OD1-N 3.21Å; N212-E214 VanDerWaalsContact OD1-N 3.09Å; N212-E214 PolarHBondContact OD1-OE2 2.85Å; E214-K218 PolarHBondContact O-N 2.78Å
215	E	98.1	Very high	97	Very high	78 Å²	78	44.7 Å²	44.7	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-67.3	-44.4	174.6	-73.4	-173	-151.5	0	0	112.1	V208 D209 N212 I213 L217 K218 V219	V208-E215 HydrophobicContact CG2-CB 3.63Å; V208-E215 WeakPolarHBondContact CG2-OE2 3.46Å; D209-E215 PolarHBondContact N-OE2 3.23Å; D209-E215 VanDerWaalsContact N-OE2 3.13Å; N212-E215 HydrophobicContact CB-CB 4.02Å; N212-E215 HydrophobicContact CB-CG 4.13Å; N212-E215 PolarHBondContact ND2-OE1 3.17Å; N212-E215 PolarHBondContact O-N 2.69Å; N212-E215 PolarHBondContact OD1-N 2.54Å; I213-E215 VanDerWaalsContact C-N 3.34Å; I213-E215 PolarHBondContact O-N 2.82Å; E215-L217 PolarHBondContact O-N 2.86Å; E215-K218 WeakPolarHBondContact O-CB 3.35Å; E215-K218 PolarHBondContact O-N 2.71Å; E215-K218 VanDerWaalsContact O-N 3.12Å; E215-V219 WeakPolarHBondContact O-CG1 3.47Å; E215-V219 WeakPolarHBondContact O-CG2 3.38Å; E215-V219 PolarHBondContact O-N 3.02Å
216	L	98.6	Very high	96.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56.7	-47.9	177.2	-73.8	172.2	0	0	0	111.7	E38 I39 V42 V208 N212 I213 K218 V219 F220	E38-L216 HydrophobicContact CB-CD1 3.73Å; I39-L216 HydrophobicContact CG1-CD1 4.21Å; I39-L216 HydrophobicContact CG1-CD2 4.09Å; V42-L216 HydrophobicContact CB-CB 4.4Å; V42-L216 HydrophobicContact CG1-CB 4.31Å; V42-L216 HydrophobicContact CG2-CB 3.93Å; V42-L216 HydrophobicContact CG2-CD1 4.1Å; V208-L216 HydrophobicContact CG1-CD2 4.47Å; N212-L216 VanDerWaalsContact O-CG 3.32Å; N212-L216 WeakPolarHBondContact O-CG 3.42Å; N212-L216 PolarHBondContact O-N 2.98Å; I213-L216 HydrophobicContact CD1-CD1 4.48Å; I213-L216 PolarHBondContact O-N 3.02Å; L216-K218 VanDerWaalsContact C-N 3.28Å; L216-K218 PolarHBondContact O-N 3.44Å; L216-V219 VanDerWaalsContact O-CG2 3.32Å; L216-V219 WeakPolarHBondContact O-CG2 3.49Å; L216-V219 PolarHBondContact O-N 2.84Å; L216-F220 WeakPolarHBondContact O-CD2 3.36Å; L216-F220 PolarHBondContact O-N 3.34Å
217	L	97.3	Very high	96.5	Very high	20 Å²	20	50 Å²	50	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-56.4	-43.9	175.7	-73.2	168.8	0	0	0	111.7	V4 L7 V42 K46 I213 E215 M221	V4-L217 HydrophobicContact CG2-CD1 4.34Å; L7-L217 HydrophobicContact CD1-CD1 4.07Å; L7-L217 HydrophobicContact CD1-CD2 3.99Å; L7-L217 HydrophobicContact CD1-CG 4.33Å; V42-L217 HydrophobicContact CG1-CD2 3.92Å; V42-L217 HydrophobicContact CG1-CG 4.36Å; K46-L217 HydrophobicContact CB-CD2 4.2Å; K46-L217 HydrophobicContact CG-CD2 3.63Å; I213-L217 HydrophobicContact CG2-CD1 3.97Å; I213-L217 HydrophobicContact CG2-CG 4.38Å; I213-L217 WeakPolarHBondContact O-CB 3.36Å; I213-L217 VanDerWaalsContact O-CG 3.27Å; I213-L217 WeakPolarHBondContact O-CG 3.49Å; I213-L217 PolarHBondContact O-N 3.03Å; E215-L217 PolarHBondContact O-N 2.86Å; L217-M221 HydrophobicContact CB-CE 4.35Å; L217-M221 WeakPolarHBondContact O-CE 3.47Å; L217-M221 WeakPolarHBondContact O-CG 3.46Å; L217-M221 PolarHBondContact O-N 3.45Å
218	K	97.7	Very high	96.5	Very high	140 Å²	140	52.2 Å²	52.2	61%	0.609	27%	0.272	S	S	*	.	H	α-helix	trans	-65.7	-47.7	179.1	-176.6	-178	176.6	-175.3	0	111.9	E214 E215 L216 M221 C222	E214-K218 PolarHBondContact O-N 2.78Å; E215-K218 WeakPolarHBondContact O-CB 3.35Å; E215-K218 PolarHBondContact O-N 2.71Å; E215-K218 VanDerWaalsContact O-N 3.12Å; L216-K218 VanDerWaalsContact C-N 3.28Å; L216-K218 PolarHBondContact O-N 3.44Å; K218-M221 PolarHBondContact O-N 3.06Å; K218-C222 PolarHBondContact O-N 3.47Å; K218-C222 PolarHBondContact O-SG 2.89Å; K218-C222 VanDerWaalsContact O-SG 3.32Å
219	V	97.4	Very high	96.5	Very high	15 Å²	15	52 Å²	52	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-70.4	-33.8	-175.4	-61.6	0	0	0	0	112.4	I206 V208 E215 L216 C222 S223 L232	I206-V219 HydrophobicContact CG2-CG1 3.83Å; V208-V219 HydrophobicContact CB-CG1 4.19Å; V208-V219 HydrophobicContact CB-CG2 4.47Å; V208-V219 HydrophobicContact CG1-CG2 4.46Å; V208-V219 HydrophobicContact CG2-CG1 3.86Å; V208-V219 HydrophobicContact CG2-CG2 4.08Å; E215-V219 WeakPolarHBondContact O-CG1 3.47Å; E215-V219 WeakPolarHBondContact O-CG2 3.38Å; E215-V219 PolarHBondContact O-N 3.02Å; L216-V219 VanDerWaalsContact O-CG2 3.32Å; L216-V219 WeakPolarHBondContact O-CG2 3.49Å; L216-V219 PolarHBondContact O-N 2.84Å; V219-C222 CarbonylContact O-C 3.57Å; V219-C222 PolarHBondContact O-N 3.49Å; V219-S223 PolarHBondContact O-N 2.95Å; V219-L232 HydrophobicContact CB-CD2 4.23Å; V219-L232 HydrophobicContact CG2-CD1 4.07Å; V219-L232 HydrophobicContact CG2-CD2 4.33Å
220	F	97.4	Very high	96.5	Very high	2 Å²	2	49 Å²	49	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-43.6	172.4	-80.4	-58.6	0	0	0	111.4	V42 L43 E47 Y142 V171 I173 L216 C222 S223 Y224 L232	V42-F220 HydrophobicContact CB-CE2 4.3Å; V42-F220 HydrophobicContact CG1-CD2 3.56Å; V42-F220 HydrophobicContact CG1-CE2 3.79Å; L43-F220 HydrophobicContact CD1-CE1 4.06Å; L43-F220 HydrophobicContact CD1-CZ 4.05Å; E47-F220 HydrophobicContact CB-CB 4.46Å; E47-F220 HydrophobicContact CB-CD2 4.47Å; E47-F220 HydrophobicContact CB-CG 4.26Å; E47-F220 HydrophobicContact CG-CB 4.09Å; E47-F220 HydrophobicContact CG-CD1 3.75Å; E47-F220 HydrophobicContact CG-CE1 4.31Å; E47-F220 HydrophobicContact CG-CG 3.89Å; Y142-F220 HydrophobicContact CD1-CE1 4.31Å; Y142-F220 HydrophobicContact CE1-CD1 4.32Å; Y142-F220 HydrophobicContact CE1-CE1 4.25Å; V171-F220 HydrophobicContact CG1-CE1 4.4Å; I173-F220 HydrophobicContact CD1-CE1 3.91Å; I173-F220 HydrophobicContact CD1-CZ 3.84Å; I173-F220 HydrophobicContact CG1-CE1 4.46Å; L216-F220 WeakPolarHBondContact O-CD2 3.36Å; L216-F220 PolarHBondContact O-N 3.34Å; F220-C222 VanDerWaalsContact C-N 3.33Å; F220-C222 PolarHBondContact O-N 3.08Å; F220-S223 VanDerWaalsContact O-CB 3.32Å; F220-S223 WeakPolarHBondContact O-CB 3.1Å; F220-S223 PolarHBondContact O-N 3.48Å; F220-S223 VanDerWaalsContact O-N 3.08Å; F220-S223 PolarHBondContact O-OG 3.37Å; F220-Y224 VanDerWaalsContact O-CD2 3.23Å; F220-Y224 WeakPolarHBondContact O-CD2 3.48Å; F220-Y224 VanDerWaalsContact O-CE2 3.27Å; F220-Y224 WeakPolarHBondContact O-CE2 3.35Å; F220-L232 HydrophobicContact CD1-CD1 3.93Å; F220-L232 HydrophobicContact CE1-CD1 3.67Å; F220-L232 HydrophobicContact CZ-CD1 4.12Å
221	M	94.6	Very high	96.5	Very high	130 Å²	130	49 Å²	49	64%	0.64	25%	0.254	S	S	*	.	H	α-helix	trans	-61	-38.6	172.1	-73.7	-173.2	-91.8	0	0	112.9	L217 K218 S223 Y224	L217-M221 HydrophobicContact CB-CE 4.35Å; L217-M221 WeakPolarHBondContact O-CE 3.47Å; L217-M221 WeakPolarHBondContact O-CG 3.46Å; L217-M221 PolarHBondContact O-N 3.45Å; K218-M221 PolarHBondContact O-N 3.06Å; M221-S223 VanDerWaalsContact C-N 3.26Å; M221-S223 PolarHBondContact O-N 3.09Å; M221-Y224 WeakPolarHBondContact O-CD2 3.41Å
222	C	94	Very high	96.5	Very high	58 Å²	58	47.4 Å²	47.4	39%	0.392	25%	0.247	S	C	.	.	H	α-helix	trans	-71.5	-17.2	175.6	-67	0	0	0	0	113.7	I206 K218 V219 F220 Y224 Q226	I206-C222 HydrophobicContact CD1-CB 4.45Å; K218-C222 PolarHBondContact O-N 3.47Å; K218-C222 PolarHBondContact O-SG 2.89Å; K218-C222 VanDerWaalsContact O-SG 3.32Å; V219-C222 CarbonylContact O-C 3.57Å; V219-C222 PolarHBondContact O-N 3.49Å; F220-C222 VanDerWaalsContact C-N 3.33Å; F220-C222 PolarHBondContact O-N 3.08Å; C222-Y224 PolarHBondContact O-N 3.45Å; C222-Q226 PolarHBondContact O-NE2 3.29Å
223	S	94.4	Very high	96.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.6	-179.1	80.5	0	0	0	0	114.1	R140 V219 F220 M221 V230	R140-S223 PolarHBondContact NH2-O 3.36Å; R140-S223 PolarHBondContact NH2-OG 3.43Å; V219-S223 PolarHBondContact O-N 2.95Å; F220-S223 VanDerWaalsContact O-CB 3.32Å; F220-S223 WeakPolarHBondContact O-CB 3.1Å; F220-S223 PolarHBondContact O-N 3.48Å; F220-S223 VanDerWaalsContact O-N 3.08Å; F220-S223 PolarHBondContact O-OG 3.37Å; M221-S223 VanDerWaalsContact C-N 3.26Å; M221-S223 PolarHBondContact O-N 3.09Å; S223-V230 WeakPolarHBondContact O-CG2 3.37Å
224	Y	94.1	Very high	96.6	Very high	85 Å²	85	45.3 Å²	45.3	33%	0.333	24%	0.236	S	C	.	.	S	Bend	trans	-83.9	148	178.8	-69.4	-98	0	0	0	111.5	E47 R140 F220 M221 C222 Q226	E47-Y224 VanDerWaalsContact OE1-CE2 3.29Å; E47-Y224 WeakPolarHBondContact OE1-CE2 3.33Å; E47-Y224 VanDerWaalsContact OE1-CZ 3.32Å; E47-Y224 PolarHBondContact OE1-OH 2.96Å; R140-Y224 VanDerWaalsContact CD-CE1 3.45Å; F220-Y224 VanDerWaalsContact O-CD2 3.23Å; F220-Y224 WeakPolarHBondContact O-CD2 3.48Å; F220-Y224 VanDerWaalsContact O-CE2 3.27Å; F220-Y224 WeakPolarHBondContact O-CE2 3.35Å; M221-Y224 WeakPolarHBondContact O-CD2 3.41Å; C222-Y224 PolarHBondContact O-N 3.45Å; Y224-Q226 VanDerWaalsContact C-N 3.31Å; Y224-Q226 PolarHBondContact O-N 3.39Å; Y224-Q226 PolarHBondContact O-NE2 3.25Å
225	G	88.9	Confident	96.6	Very high	72 Å²	72	44 Å²	44	74%	0.742	23%	0.229	S	C	*	.	S	Bend	trans	72	15.2	168.3	0	0	0	0	0	116.1	N227	G225-N227 VanDerWaalsContact C-N 3.32Å; G225-N227 PolarHBondContact O-N 3.2Å
226	Q	91.7	Very high	96.7	Very high	65 Å²	65	40.3 Å²	40.3	30%	0.304	21%	0.212	S	C	.	.			trans	-77.9	-12.6	-176.1	-60.9	-58	-33.8	0	0	114.2	H204 C222 Y224 K228 V230	H204-Q226 HydrophobicContact CB-CB 4.09Å; H204-Q226 HydrophobicContact CB-CG 4.18Å; C222-Q226 PolarHBondContact O-NE2 3.29Å; Y224-Q226 VanDerWaalsContact C-N 3.31Å; Y224-Q226 PolarHBondContact O-N 3.39Å; Y224-Q226 PolarHBondContact O-NE2 3.25Å; Q226-K228 PolarHBondContact O-N 3.13Å; Q226-V230 HydrophobicContact CB-CG2 4.18Å; Q226-V230 HydrophobicContact CG-CG2 3.93Å
227	N	95.4	Very high	96.6	Very high	89 Å²	89	43.6 Å²	43.6	48%	0.476	22%	0.224	S	C	.	.	S	Bend	trans	52.8	23.4	-174.1	-164.7	28.8	0	0	0	113.6	G225	G225-N227 VanDerWaalsContact C-N 3.32Å; G225-N227 PolarHBondContact O-N 3.2Å
228	K	98.3	Very high	96.7	Very high	103 Å²	103	43 Å²	43	45%	0.448	22%	0.221	S	C	.	.	S	Bend	trans	-147.2	152.4	179.6	-68	-178	179.1	-175.9	0	107.9	D168 H204 Q226	D168-K228 WeakPolarHBondContact CA-O 3.48Å; H204-K228 HydrophobicContact CB-CB 4.46Å; Q226-K228 PolarHBondContact O-N 3.13Å
229	P	98.6	Very high	96.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.			trans	-57.5	144.7	165	28.1	-35.6	0	0	0	110	L167 I172 C203 H204	L167-P229 VanDerWaalsContact O-CA 3.26Å; L167-P229 WeakPolarHBondContact O-CA 3.31Å; I172-P229 HydrophobicContact CD1-CB 4.09Å; C203-P229 CarbonylContact C-O 3.58Å; C203-P229 VanDerWaalsContact CA-O 3.3Å; C203-P229 WeakPolarHBondContact CA-O 3.38Å; C203-P229 WeakPolarHBondContact CB-O 3.21Å; H204-P229 PolarHBondContact N-O 3Å
230	V	98.8	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.1	-179.8	178.2	0	0	0	0	109.8	L170 V171 I172 H204 S223 Q226 L232	L170-V230 PolarHBondContact O-N 3.12Å; V171-V230 WeakPolarHBondContact CA-O 3.46Å; V171-V230 HydrophobicContact CG1-CB 4.49Å; V171-V230 HydrophobicContact CG2-CB 4.48Å; I172-V230 WeakPolarHBondContact CD1-O 3.3Å; I172-V230 PolarHBondContact N-O 3.31Å; H204-V230 HydrophobicContact CB-CG2 4.4Å; H204-V230 CarbonylContact O-C 3.55Å; H204-V230 WeakPolarHBondContact O-CA 3.39Å; S223-V230 WeakPolarHBondContact O-CG2 3.37Å; Q226-V230 HydrophobicContact CB-CG2 4.18Å; Q226-V230 HydrophobicContact CG-CG2 3.93Å; V230-L232 HydrophobicContact CG1-CD2 3.77Å; V230-L232 HydrophobicContact CG1-CG 4.28Å
231	A	98.7	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.5	172	0	0	0	0	0	109.9	I172 F174 T198 C203 H204 S205 I206 I233	I172-A231 CarbonylContact O-C 3.5Å; I172-A231 WeakPolarHBondContact O-CA 3.47Å; F174-A231 HydrophobicContact CD2-CB 4.48Å; F174-A231 HydrophobicContact CE2-CB 4.16Å; T198-A231 HydrophobicContact CG2-CB 3.97Å; C203-A231 HydrophobicContact CB-CB 4.03Å; H204-A231 PolarHBondContact O-N 3.2Å; S205-A231 CarbonylContact C-O 3.53Å; S205-A231 VanDerWaalsContact CA-O 3.26Å; S205-A231 WeakPolarHBondContact CA-O 3.49Å; I206-A231 PolarHBondContact N-O 3.37Å; A231-I233 HydrophobicContact CB-CD1 4.36Å
232	L	98.7	Very high	96.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.2	171.7	-56	-174.5	0	0	0	108.5	V171 I172 I173 F174 I206 V219 F220 V230 C234	V171-L232 HydrophobicContact CG1-CD1 4.06Å; V171-L232 HydrophobicContact CG1-CG 4.13Å; I172-L232 PolarHBondContact O-N 3.34Å; I173-L232 HydrophobicContact CG1-CD1 4.36Å; F174-L232 PolarHBondContact N-O 3Å; I206-L232 HydrophobicContact CB-CD2 4.04Å; I206-L232 HydrophobicContact CD1-CD2 4.07Å; I206-L232 HydrophobicContact CG1-CD2 4.35Å; V219-L232 HydrophobicContact CB-CD2 4.23Å; V219-L232 HydrophobicContact CG2-CD1 4.07Å; V219-L232 HydrophobicContact CG2-CD2 4.33Å; F220-L232 HydrophobicContact CD1-CD1 3.93Å; F220-L232 HydrophobicContact CE1-CD1 3.67Å; F220-L232 HydrophobicContact CZ-CD1 4.12Å; V230-L232 HydrophobicContact CG1-CD2 3.77Å; V230-L232 HydrophobicContact CG1-CG 4.28Å; L232-C234 PolarHBondContact O-N 3.03Å
233	I	98.8	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	90.5	178.3	-48.3	-52.4	0	0	0	107.7	F174 V176 L191 Y194 R195 T198 I206 V207 V208 A231	F174-I233 HydrophobicContact CB-CD1 4.02Å; F174-I233 HydrophobicContact CD2-CD1 3.59Å; F174-I233 HydrophobicContact CE2-CD1 4.27Å; F174-I233 HydrophobicContact CG-CD1 3.91Å; V176-I233 HydrophobicContact CG2-CG2 3.87Å; L191-I233 HydrophobicContact CB-CG2 4.3Å; L191-I233 HydrophobicContact CD2-CG2 4.22Å; Y194-I233 HydrophobicContact CG-CG2 4.46Å; R195-I233 HydrophobicContact CB-CG1 4.44Å; T198-I233 HydrophobicContact CG2-CD1 4.09Å; I206-I233 PolarHBondContact O-N 2.58Å; V207-I233 WeakPolarHBondContact CA-O 3.33Å; V207-I233 HydrophobicContact CG2-CB 4.11Å; V207-I233 HydrophobicContact CG2-CG2 4.46Å; V208-I233 PolarHBondContact N-O 3.44Å; A231-I233 HydrophobicContact CB-CD1 4.36Å
234	C	98.8	Very high	97.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	114.6	-174.9	-60.8	0	0	0	0	110	I39 F174 V176 V208 L232 T236	I39-C234 HydrophobicContact CD1-CB 3.76Å; F174-C234 WeakPolarHBondContact O-CB 3.31Å; F174-C234 PolarHBondContact O-N 2.81Å; V176-C234 WeakPolarHBondContact CA-O 3.39Å; V176-C234 WeakPolarHBondContact CB-O 3.48Å; V176-C234 PolarHBondContact N-O 3.34Å; V208-C234 HydrophobicContact CG1-CB 4.18Å; V208-C234 WeakPolarHBondContact CG1-SG 3.26Å; V208-C234 WeakPolarHBondContact O-CA 3.31Å; L232-C234 PolarHBondContact O-N 3.03Å; C234-T236 HydrophobicContact CB-CG2 4.17Å; C234-T236 PolarHBondContact O-N 2.84Å
235	K	98.8	Very high	97.3	Very high	68 Å²	68	31.2 Å²	31.2	30%	0.296	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	118.2	166.9	-165.1	-172.9	-175.4	179.1	0	108.5	L191 V208 G210 Y237	L191-K235 HydrophobicContact CD1-CB 3.6Å; L191-K235 HydrophobicContact CD1-CD 3.95Å; L191-K235 HydrophobicContact CD1-CG 3.84Å; L191-K235 HydrophobicContact CD2-CB 4.07Å; L191-K235 HydrophobicContact CD2-CG 4.19Å; L191-K235 HydrophobicContact CG-CB 4.46Å; L191-K235 HydrophobicContact CG-CG 4.5Å; V208-K235 PolarHBondContact O-N 2.93Å; G210-K235 WeakPolarHBondContact CA-O 3.49Å; G210-K235 PolarHBondContact N-O 2.81Å; K235-Y237 VanDerWaalsContact CE-OH 3.25Å; K235-Y237 WeakPolarHBondContact CE-OH 3.4Å; K235-Y237 PolarHBondContact NZ-OH 3.41Å
236	T	98.8	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.			trans	-134.3	172.8	177.5	61.5	0	0	0	0	110.1	S35 I39 D175 V176 N177 H189 H211 C234	S35-T236 WeakPolarHBondContact O-CG2 3.35Å; I39-T236 HydrophobicContact CD1-CG2 4.08Å; D175-T236 WeakPolarHBondContact OD1-CB 3.24Å; D175-T236 WeakPolarHBondContact OD1-CG2 3.37Å; D175-T236 PolarHBondContact OD1-OG1 3.23Å; V176-T236 PolarHBondContact O-N 3.16Å; V176-T236 PolarHBondContact O-OG1 2.89Å; N177-T236 WeakPolarHBondContact CA-O 3.14Å; N177-T236 VanDerWaalsContact CA-OG1 3.3Å; N177-T236 WeakPolarHBondContact CA-OG1 3.39Å; N177-T236 WeakPolarHBondContact CB-OG1 3.39Å; N177-T236 PolarHBondContact N-OG1 2.88Å; H189-T236 PolarHBondContact CE1-O 3.34Å; H189-T236 PolarHBondContact NE2-O 3.46Å; H211-T236 VanDerWaalsContact NE2-CA 3.27Å; H211-T236 WeakPolarHBondContact NE2-CA 3.27Å; C234-T236 HydrophobicContact CB-CG2 4.17Å; C234-T236 PolarHBondContact O-N 2.84Å
237	Y	98.5	Very high	98	Very high	68 Å²	68	28.5 Å²	28.5	27%	0.267	16%	0.161	S	C	.	.			trans	-125.5	130.3	172.9	-61.8	-89.6	0	0	0	109.9	S35 H189 H211 K235 G239 Q240 D247	S35-Y237 VanDerWaalsContact CB-O 3.32Å; S35-Y237 WeakPolarHBondContact CB-O 3.38Å; H189-Y237 AromaticContact CE1-CD1 3.56Å; H189-Y237 AromaticContact CE1-CE1 3.31Å; H189-Y237 WeakPolarHBondContact CE1-CE1 3.31Å; H189-Y237 AromaticContact CE1-CZ 3.98Å; H189-Y237 AromaticContact ND1-CE1 3.95Å; H211-Y237 AromaticContact CD2-CD2 3.91Å; H211-Y237 AromaticContact NE2-CD2 3.96Å; H211-Y237 PolarHBondContact NE2-N 3.24Å; K235-Y237 VanDerWaalsContact CE-OH 3.25Å; K235-Y237 WeakPolarHBondContact CE-OH 3.4Å; K235-Y237 PolarHBondContact NZ-OH 3.41Å; Y237-G239 PolarHBondContact O-N 3.41Å; Y237-Q240 PolarHBondContact O-N 2.85Å; Y237-Q240 VanDerWaalsContact O-N 3.08Å; Y237-D247 HydrophobicContact CD1-CB 3.96Å
238	K	98.2	Very high	98.1	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.035	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	126.1	174.5	-177.8	172.9	-65	179.5	0	108.9	N177 L179 G180 A246 D247	N177-K238 HydrophobicContact CB-CB 4.13Å; N177-K238 PolarHBondContact O-N 3.13Å; N177-K238 VanDerWaalsContact OD1-CE 3.25Å; N177-K238 WeakPolarHBondContact OD1-CE 3.19Å; L179-K238 HydrophobicContact CB-CB 4.29Å; L179-K238 HydrophobicContact CB-CD 3.84Å; L179-K238 HydrophobicContact CD1-CB 4.17Å; L179-K238 HydrophobicContact CD1-CD 4.22Å; L179-K238 WeakPolarHBondContact O-CE 3.35Å; L179-K238 PolarHBondContact O-NZ 2.81Å; G180-K238 PolarHBondContact O-NZ 3.42Å; K238-A246 WeakPolarHBondContact O-CA 3.48Å; K238-D247 PolarHBondContact O-N 3.45Å
239	G	97.9	Very high	98	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	23.5	-174.9	0	0	0	0	0	114.8	T31 Y237 D241 F242 A246	T31-G239 PolarHBondContact O-N 2.75Å; Y237-G239 PolarHBondContact O-N 3.41Å; G239-D241 PolarHBondContact O-N 3.26Å; G239-F242 VanDerWaalsContact O-CB 3.24Å; G239-F242 WeakPolarHBondContact O-CB 3.44Å; G239-F242 PolarHBondContact O-N 3.11Å; G239-A246 WeakPolarHBondContact O-CA 3.27Å; G239-A246 VanDerWaalsContact O-CB 3.3Å; G239-A246 WeakPolarHBondContact O-CB 3.27Å
240	Q	98.5	Very high	97.8	Very high	41 Å²	41	34.2 Å²	34.2	19%	0.192	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	136.1	174.6	180	61.6	37.8	0	0	112.1	R15 A34 H211 Y237 F242	R15-Q240 PolarHBondContact NE-O 2.78Å; A34-Q240 WeakPolarHBondContact CB-O 3.49Å; H211-Q240 PolarHBondContact CD2-OE1 2.65Å; H211-Q240 VanDerWaalsContact CE1-CG 3.49Å; H211-Q240 WeakPolarHBondContact CE1-CG 3.4Å; H211-Q240 PolarHBondContact NE2-OE1 2.86Å; Y237-Q240 PolarHBondContact O-N 2.85Å; Y237-Q240 VanDerWaalsContact O-N 3.08Å; Q240-F242 PolarHBondContact O-N 3.03Å
241	D	98	Very high	97.6	Very high	28 Å²	28	36.6 Å²	36.6	15%	0.15	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	18.2	-175.1	-59.4	-30.9	0	0	0	115.8	R15 G239 P243 Y266 L267	R15-D241 IonicContact CZ-OD2 3.71Å; R15-D241 IonicContact NE-OD2 2.93Å; R15-D241 IonicContact NH1-OD2 3.38Å; R15-D241 PolarHBondContact NH1-OD2 3.2Å; R15-D241 IonicContact NH2-OD2 2.71Å; G239-D241 PolarHBondContact O-N 3.26Å; D241-P243 WeakPolarHBondContact O-CD 3.47Å; D241-Y266 HydrophobicContact CB-CE1 4.09Å; D241-Y266 WeakPolarHBondContact O-CD1 3.44Å; D241-Y266 WeakPolarHBondContact O-CE1 3.21Å; D241-L267 HydrophobicContact CB-CD2 3.8Å
242	F	98.1	Very high	97.4	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	21%	0.208	C	C	.	.			trans	-104.6	98.4	168.7	-60.5	-3.9	0	0	0	109.4	R15 V19 P30 T31 A34 G239 Q240 G244 I245 A246 L256 V263 L267	R15-F242 HydrophobicContact CB-CE1 4.21Å; R15-F242 HydrophobicContact CG-CE1 4.45Å; V19-F242 HydrophobicContact CG2-CE1 3.96Å; V19-F242 HydrophobicContact CG2-CE2 4.11Å; V19-F242 HydrophobicContact CG2-CZ 3.43Å; V19-F242 VanDerWaalsContact CG2-CZ 3.43Å; P30-F242 HydrophobicContact CB-CE2 4.12Å; P30-F242 HydrophobicContact CB-CZ 4.46Å; T31-F242 HydrophobicContact CG2-CD2 4.08Å; T31-F242 HydrophobicContact CG2-CE2 4.22Å; A34-F242 HydrophobicContact CB-CD1 4.48Å; A34-F242 HydrophobicContact CB-CE1 3.9Å; A34-F242 HydrophobicContact CB-CE2 3.95Å; A34-F242 HydrophobicContact CB-CZ 3.61Å; G239-F242 VanDerWaalsContact O-CB 3.24Å; G239-F242 WeakPolarHBondContact O-CB 3.44Å; G239-F242 PolarHBondContact O-N 3.11Å; Q240-F242 PolarHBondContact O-N 3.03Å; F242-G244 PolarHBondContact O-N 3.19Å; F242-I245 HydrophobicContact CB-CB 3.77Å; F242-I245 HydrophobicContact CB-CD1 4.2Å; F242-I245 HydrophobicContact CB-CG2 4.11Å; F242-I245 HydrophobicContact CD2-CG2 4.22Å; F242-I245 PolarHBondContact O-N 3.41Å; F242-A246 PolarHBondContact O-N 3.35Å; F242-L256 HydrophobicContact CD2-CD1 3.93Å; F242-L256 HydrophobicContact CD2-CD2 4.03Å; F242-L256 HydrophobicContact CE2-CD1 3.89Å; F242-L256 HydrophobicContact CE2-CD2 4.13Å; F242-L256 HydrophobicContact CE2-CG 4.49Å; F242-L256 HydrophobicContact CG-CD1 4.48Å; F242-L256 HydrophobicContact CZ-CD1 4.39Å; F242-V263 HydrophobicContact CB-CG1 4.2Å; F242-V263 HydrophobicContact CB-CG2 3.97Å; F242-V263 HydrophobicContact CD1-CG1 3.29Å; F242-V263 HydrophobicContact CD2-CG1 4.43Å; F242-V263 HydrophobicContact CE1-CG1 3.68Å; F242-V263 HydrophobicContact CG-CG1 3.73Å; F242-V263 HydrophobicContact CG-CG2 4.3Å; F242-V263 HydrophobicContact CZ-CG1 4.39Å; F242-L267 HydrophobicContact CD1-CD1 4.4Å; F242-L267 HydrophobicContact CE1-CD1 3.95Å
243	P	97	Very high	97.1	Very high	42 Å²	42	40 Å²	40	27%	0.273	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	131.7	-178.4	-28	35.7	0	0	0	113	D241 I245 Y266	D241-P243 WeakPolarHBondContact O-CD 3.47Å; P243-I245 PolarHBondContact O-N 3.39Å; P243-Y266 HydrophobicContact CG-CD1 3.86Å; P243-Y266 HydrophobicContact CG-CD2 3.78Å; P243-Y266 HydrophobicContact CG-CE1 4.14Å; P243-Y266 HydrophobicContact CG-CE2 4.08Å; P243-Y266 HydrophobicContact CG-CG 3.66Å
244	G	95.9	Very high	96.9	Very high	68 Å²	68	44 Å²	44	70%	0.701	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	2.7	-177.8	0	0	0	0	0	115.6	F242	F242-G244 PolarHBondContact O-N 3.19Å
245	I	97.6	Very high	96.8	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-35.1	179.6	-65.6	163.2	0	0	0	111.1	T31 F242 P243 D247 Q248 W251 L256 K259 V263	T31-I245 HydrophobicContact CG2-CG2 3.7Å; F242-I245 HydrophobicContact CB-CB 3.77Å; F242-I245 HydrophobicContact CB-CD1 4.2Å; F242-I245 HydrophobicContact CB-CG2 4.11Å; F242-I245 HydrophobicContact CD2-CG2 4.22Å; F242-I245 PolarHBondContact O-N 3.41Å; P243-I245 PolarHBondContact O-N 3.39Å; I245-D247 PolarHBondContact O-N 3.36Å; I245-Q248 VanDerWaalsContact O-CB 3.3Å; I245-Q248 WeakPolarHBondContact O-CB 3.39Å; I245-Q248 PolarHBondContact O-N 2.77Å; I245-W251 HydrophobicContact CD1-CH2 4.16Å; I245-W251 HydrophobicContact CD1-CZ2 4.3Å; I245-W251 HydrophobicContact CD1-CZ3 4.27Å; I245-W251 HydrophobicContact CG1-CD2 4.11Å; I245-W251 HydrophobicContact CG1-CE3 4.44Å; I245-W251 HydrophobicContact CG1-CH2 4.11Å; I245-W251 HydrophobicContact CG1-CZ2 3.73Å; I245-W251 HydrophobicContact CG1-CZ3 4.45Å; I245-W251 HydrophobicContact CG2-CB 4.13Å; I245-W251 HydrophobicContact CG2-CD2 3.8Å; I245-W251 HydrophobicContact CG2-CE3 4.31Å; I245-W251 HydrophobicContact CG2-CG 3.71Å; I245-L256 HydrophobicContact CD1-CD1 4.48Å; I245-L256 HydrophobicContact CD1-CD2 3.89Å; I245-K259 HydrophobicContact CD1-CB 3.86Å; I245-K259 HydrophobicContact CD1-CG 4.28Å; I245-V263 HydrophobicContact CD1-CG2 3.98Å
246	A	97.4	Very high	96.7	Very high	34 Å²	34	42.4 Å²	42.4	28%	0.281	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	130.6	179.3	0	0	0	0	0	111.6	K238 G239 F242 Q248	K238-A246 WeakPolarHBondContact O-CA 3.48Å; G239-A246 WeakPolarHBondContact O-CA 3.27Å; G239-A246 VanDerWaalsContact O-CB 3.3Å; G239-A246 WeakPolarHBondContact O-CB 3.27Å; F242-A246 PolarHBondContact O-N 3.35Å; A246-Q248 PolarHBondContact O-N 3.18Å; A246-Q248 VanDerWaalsContact O-N 3.1Å
247	D	97.7	Very high	96.6	Very high	46 Å²	46	44.2 Å²	44.2	25%	0.246	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	12.4	-179	-159.2	33	0	0	0	115.5	R178 Y237 K238 I245	R178-D247 IonicContact CZ-OD1 3.74Å; R178-D247 IonicContact CZ-OD2 3.71Å; R178-D247 IonicContact NE-OD1 2.76Å; R178-D247 PolarHBondContact NE-OD1 3.13Å; R178-D247 IonicContact NE-OD2 3.77Å; R178-D247 PolarHBondContact NH2-O 3.08Å; R178-D247 IonicContact NH2-OD1 3.33Å; R178-D247 PolarHBondContact NH2-OD1 2.78Å; R178-D247 IonicContact NH2-OD2 3.47Å; Y237-D247 HydrophobicContact CD1-CB 3.96Å; K238-D247 PolarHBondContact O-N 3.45Å; I245-D247 PolarHBondContact O-N 3.36Å
248	Q	97.4	Very high	96.5	Very high	103 Å²	103	47.8 Å²	47.8	48%	0.481	28%	0.284	S	S	.	.			trans	-92.5	143.2	177.6	-57.5	-55.2	-56	0	0	112.1	L179 I245 A246	L179-Q248 WeakPolarHBondContact CD1-O 3.4Å; I245-Q248 VanDerWaalsContact O-CB 3.3Å; I245-Q248 WeakPolarHBondContact O-CB 3.39Å; I245-Q248 PolarHBondContact O-N 2.77Å; A246-Q248 PolarHBondContact O-N 3.18Å; A246-Q248 VanDerWaalsContact O-N 3.1Å
249	E	96.1	Very high	96.4	Very high	90 Å²	90	50.7 Å²	50.7	42%	0.421	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	172	173.8	-65.3	-177	-113.6	0	0	112.2	L179 W251	L179-E249 HydrophobicContact CD2-CG 3.93Å; E249-W251 PolarHBondContact O-N 2.86Å; E249-W251 VanDerWaalsContact O-N 3.13Å
250	N	94.4	Very high	96.5	Very high	119 Å²	119	51 Å²	51	64%	0.636	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	18.3	177.6	-63.2	-44.5	0	0	0	115.7	K254	N250-K254 WeakPolarHBondContact O-CE 3.45Å; N250-K254 PolarHBondContact O-NZ 3.03Å
251	W	95.3	Very high	96.4	Very high	50 Å²	50	56.4 Å²	56.4	19%	0.189	32%	0.323	C	S	.	.			trans	-107.4	17.9	172.1	-69.3	102	0	0	0	114.2	T31 I245 E249 K254 L256 K259	T31-W251 HydrophobicContact CG2-CB 3.87Å; T31-W251 PolarHBondContact OG1-O 3.3Å; I245-W251 HydrophobicContact CD1-CH2 4.16Å; I245-W251 HydrophobicContact CD1-CZ2 4.3Å; I245-W251 HydrophobicContact CD1-CZ3 4.27Å; I245-W251 HydrophobicContact CG1-CD2 4.11Å; I245-W251 HydrophobicContact CG1-CE3 4.44Å; I245-W251 HydrophobicContact CG1-CH2 4.11Å; I245-W251 HydrophobicContact CG1-CZ2 3.73Å; I245-W251 HydrophobicContact CG1-CZ3 4.45Å; I245-W251 HydrophobicContact CG2-CB 4.13Å; I245-W251 HydrophobicContact CG2-CD2 3.8Å; I245-W251 HydrophobicContact CG2-CE3 4.31Å; I245-W251 HydrophobicContact CG2-CG 3.71Å; E249-W251 PolarHBondContact O-N 2.86Å; E249-W251 VanDerWaalsContact O-N 3.13Å; W251-K254 HydrophobicContact CE3-CD 4.46Å; W251-K254 HydrophobicContact CE3-CG 4.42Å; W251-L256 HydrophobicContact CE3-CD2 4.26Å; W251-L256 HydrophobicContact CZ3-CD2 4.34Å; W251-K259 HydrophobicContact CH2-CB 4.47Å; W251-K259 HydrophobicContact CH2-CG 4.09Å
252	H	93	Very high	96.4	Very high	41 Å²	41	59.2 Å²	59.2	19%	0.19	34%	0.335	C	S	.	.	S	Bend	trans	-85.3	138.5	175.6	-171.6	81.1	0	0	0	111.6	H29 H69 Q181 K254	H29-H252 AromaticContact CE1-CD2 3.95Å; H29-H252 AromaticContact CE1-CE1 3.74Å; H29-H252 AromaticContact CE1-NE2 3.35Å; H29-H252 PolarHBondContact CE1-NE2 2.92Å; H29-H252 AromaticContact ND1-CD2 3.99Å; H29-H252 AromaticContact ND1-CE1 3.39Å; H29-H252 PolarHBondContact ND1-CE1 3.05Å; H29-H252 AromaticContact ND1-ND1 3.8Å; H29-H252 AromaticContact ND1-NE2 3.47Å; H29-H252 PolarHBondContact ND1-NE2 3.24Å; H69-H252 AromaticContact NE2-CE1 3.9Å; Q181-H252 WeakPolarHBondContact O-CB 3.41Å; H252-K254 PolarHBondContact O-N 3.49Å
253	G	92.2	Very high	96.4	Very high	32 Å²	32	59.2 Å²	59.2	33%	0.33	34%	0.335	S	S	.	.	S	Bend	trans	68.8	12.3	169.7	0	0	0	0	0	116.1	G28 H29	G28-G253 CarbonylContact O-C 3.57Å; G28-G253 VanDerWaalsContact O-CA 3.31Å; G28-G253 WeakPolarHBondContact O-CA 3.43Å; H29-G253 VanDerWaalsContact CE1-CA 3.43Å; H29-G253 WeakPolarHBondContact CE1-CA 3.44Å; H29-G253 WeakPolarHBondContact ND1-CA 3.46Å; H29-G253 PolarHBondContact ND1-N 3.31Å
254	K	94.7	Very high	96.5	Very high	82 Å²	82	58.7 Å²	58.7	36%	0.357	33%	0.33	S	S	.	.	S	Bend	trans	-127.7	148.1	177.8	69.5	-176	-163.9	-165.4	0	112.7	G28 P30 N250 W251 H252	G28-K254 CarbonylContact O-C 3.59Å; G28-K254 PolarHBondContact O-N 3.28Å; P30-K254 WeakPolarHBondContact CD-O 3.39Å; N250-K254 WeakPolarHBondContact O-CE 3.45Å; N250-K254 PolarHBondContact O-NZ 3.03Å; W251-K254 HydrophobicContact CE3-CD 4.46Å; W251-K254 HydrophobicContact CE3-CG 4.42Å; H252-K254 PolarHBondContact O-N 3.49Å
255	P	96.8	Very high	96.6	Very high	31 Å²	31	59.9 Å²	59.9	20%	0.201	32%	0.32	C	S	.	.			trans	-62.8	165.6	166.4	30.7	-36	0	0	0	110.4	E23	E23-P255 VanDerWaalsContact OE1-CB 3.29Å; E23-P255 WeakPolarHBondContact OE1-CB 3.27Å
256	L	97.8	Very high	96.6	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.026	34%	0.338	C	S	.	.			trans	-76.3	-24.6	178.3	-55.1	-173	0	0	0	112.4	V19 E23 P30 T31 F242 I245 W251 V258 K259 A260 V263	V19-L256 HydrophobicContact CG1-CD1 3.95Å; V19-L256 HydrophobicContact CG2-CD1 3.78Å; E23-L256 WeakPolarHBondContact OE1-CA 3.23Å; E23-L256 WeakPolarHBondContact OE1-CB 3.45Å; E23-L256 PolarHBondContact OE1-N 3.02Å; P30-L256 HydrophobicContact CG-CD2 3.99Å; P30-L256 HydrophobicContact CG-CG 4.15Å; T31-L256 HydrophobicContact CG2-CD2 4.35Å; F242-L256 HydrophobicContact CD2-CD1 3.93Å; F242-L256 HydrophobicContact CD2-CD2 4.03Å; F242-L256 HydrophobicContact CE2-CD1 3.89Å; F242-L256 HydrophobicContact CE2-CD2 4.13Å; F242-L256 HydrophobicContact CE2-CG 4.49Å; F242-L256 HydrophobicContact CG-CD1 4.48Å; F242-L256 HydrophobicContact CZ-CD1 4.39Å; I245-L256 HydrophobicContact CD1-CD1 4.48Å; I245-L256 HydrophobicContact CD1-CD2 3.89Å; W251-L256 HydrophobicContact CE3-CD2 4.26Å; W251-L256 HydrophobicContact CZ3-CD2 4.34Å; L256-V258 PolarHBondContact O-N 2.68Å; L256-K259 HydrophobicContact CB-CB 4.34Å; L256-K259 WeakPolarHBondContact O-CB 3.09Å; L256-K259 PolarHBondContact O-N 2.62Å; L256-K259 VanDerWaalsContact O-N 3.11Å; L256-A260 HydrophobicContact CB-CB 4.01Å; L256-V263 HydrophobicContact CD1-CB 3.91Å; L256-V263 HydrophobicContact CD1-CG1 3.81Å; L256-V263 HydrophobicContact CD1-CG2 3.96Å
257	G	96.5	Very high	96.7	Very high	37 Å²	37	62.9 Å²	62.9	38%	0.381	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	58.2	-122	176.5	0	0	0	0	0	111.8	E23 K259 A260	E23-G257 PolarHBondContact OE1-N 3.34Å; E23-G257 PolarHBondContact OE2-N 2.87Å; G257-K259 PolarHBondContact O-N 3.08Å; G257-A260 WeakPolarHBondContact O-CB 3.28Å; G257-A260 PolarHBondContact O-N 2.96Å
258	V	96.3	Very high	96.6	Very high	143 Å²	143	64.2 Å²	64.2	87%	0.867	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-59.8	-22.5	-179.7	-59.2	0	0	0	0	113.6	L256	L256-V258 PolarHBondContact O-N 2.68Å
259	K	97.1	Very high	96.6	Very high	69 Å²	69	63.5 Å²	63.5	30%	0.3	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-82.5	-12.7	175.9	-72.5	-70.8	-177	176.4	0	113.5	I245 W251 L256 G257 K261 E262 V263	I245-K259 HydrophobicContact CD1-CB 3.86Å; I245-K259 HydrophobicContact CD1-CG 4.28Å; W251-K259 HydrophobicContact CH2-CB 4.47Å; W251-K259 HydrophobicContact CH2-CG 4.09Å; L256-K259 HydrophobicContact CB-CB 4.34Å; L256-K259 WeakPolarHBondContact O-CB 3.09Å; L256-K259 PolarHBondContact O-N 2.62Å; L256-K259 VanDerWaalsContact O-N 3.11Å; G257-K259 PolarHBondContact O-N 3.08Å; K259-K261 PolarHBondContact O-N 2.74Å; K259-E262 VanDerWaalsContact CD-OE2 3.28Å; K259-E262 WeakPolarHBondContact CD-OE2 3.38Å; K259-E262 IonicContact NZ-OE1 3.22Å; K259-E262 IonicContact NZ-OE2 3.42Å; K259-E262 PolarHBondContact NZ-OE2 3.12Å; K259-E262 PolarHBondContact O-N 3.17Å; K259-V263 WeakPolarHBondContact O-CG2 3.34Å; K259-V263 PolarHBondContact O-N 3.39Å
260	A	98	Very high	96.6	Very high	8 Å²	8	62.3 Å²	62.3	7%	0.066	34%	0.338	C	S	.	.	H	α-helix	trans	-59.9	-44.4	-175.9	0	0	0	0	0	112.3	V19 E23 L256 G257 V263 L264	V19-A260 HydrophobicContact CG1-CB 4.29Å; E23-A260 HydrophobicContact CG-CB 3.77Å; L256-A260 HydrophobicContact CB-CB 4.01Å; G257-A260 WeakPolarHBondContact O-CB 3.28Å; G257-A260 PolarHBondContact O-N 2.96Å; A260-V263 PolarHBondContact O-N 3.3Å; A260-L264 VanDerWaalsContact O-CB 3.31Å; A260-L264 WeakPolarHBondContact O-CB 3.46Å; A260-L264 WeakPolarHBondContact O-CG 3.21Å; A260-L264 PolarHBondContact O-N 2.82Å
261	K	97.8	Very high	96.5	Very high	153 Å²	153	57.8 Å²	57.8	67%	0.665	31%	0.314	S	S	*	.	H	α-helix	trans	-60.7	-50.3	179.6	-176.4	-179	176.9	-175.6	0	111.8	K259 V263 L264 D265	K259-K261 PolarHBondContact O-N 2.74Å; K261-V263 VanDerWaalsContact C-N 3.32Å; K261-V263 PolarHBondContact O-N 2.8Å; K261-L264 PolarHBondContact O-N 2.76Å; K261-D265 WeakPolarHBondContact O-CB 3.31Å; K261-D265 VanDerWaalsContact O-CG 3.23Å; K261-D265 PolarHBondContact O-N 2.79Å
262	E	97.9	Very high	96.2	Very high	88 Å²	88	58.6 Å²	58.6	41%	0.411	33%	0.327	S	S	.	.	H	α-helix	trans	-56.8	-46	178.6	-178.1	-174.4	165.9	0	0	111.4	K259 Y266	K259-E262 VanDerWaalsContact CD-OE2 3.28Å; K259-E262 WeakPolarHBondContact CD-OE2 3.38Å; K259-E262 IonicContact NZ-OE1 3.22Å; K259-E262 IonicContact NZ-OE2 3.42Å; K259-E262 PolarHBondContact NZ-OE2 3.12Å; K259-E262 PolarHBondContact O-N 3.17Å; E262-Y266 WeakPolarHBondContact O-CB 3.35Å; E262-Y266 PolarHBondContact O-N 3.42Å
263	V	98.4	Very high	95.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.5	-43.5	178	170	0	0	0	0	111.7	V19 F242 I245 L256 K259 A260 K261 Y266 L267	V19-V263 HydrophobicContact CG2-CG1 4.44Å; F242-V263 HydrophobicContact CB-CG1 4.2Å; F242-V263 HydrophobicContact CB-CG2 3.97Å; F242-V263 HydrophobicContact CD1-CG1 3.29Å; F242-V263 HydrophobicContact CD2-CG1 4.43Å; F242-V263 HydrophobicContact CE1-CG1 3.68Å; F242-V263 HydrophobicContact CG-CG1 3.73Å; F242-V263 HydrophobicContact CG-CG2 4.3Å; F242-V263 HydrophobicContact CZ-CG1 4.39Å; I245-V263 HydrophobicContact CD1-CG2 3.98Å; L256-V263 HydrophobicContact CD1-CB 3.91Å; L256-V263 HydrophobicContact CD1-CG1 3.81Å; L256-V263 HydrophobicContact CD1-CG2 3.96Å; K259-V263 WeakPolarHBondContact O-CG2 3.34Å; K259-V263 PolarHBondContact O-N 3.39Å; A260-V263 PolarHBondContact O-N 3.3Å; K261-V263 VanDerWaalsContact C-N 3.32Å; K261-V263 PolarHBondContact O-N 2.8Å; V263-Y266 PolarHBondContact O-N 3.12Å; V263-L267 HydrophobicContact CG1-CD1 3.8Å; V263-L267 HydrophobicContact CG1-CG 4.32Å; V263-L267 VanDerWaalsContact O-CG 3.24Å; V263-L267 WeakPolarHBondContact O-CG 3.47Å; V263-L267 PolarHBondContact O-N 3.11Å
264	L	98.4	Very high	94.7	Very high	31 Å²	31	62.7 Å²	62.7	16%	0.162	35%	0.347	C	S	.	.	H	α-helix	trans	-64.8	-42	178.1	-73.7	170.5	0	0	0	111.6	I16 V19 K20 A260 K261 Y266 L267 N268	I16-L264 HydrophobicContact CB-CD2 4.34Å; I16-L264 HydrophobicContact CG1-CD2 4.39Å; I16-L264 HydrophobicContact CG2-CD2 3.94Å; V19-L264 HydrophobicContact CB-CD2 4.09Å; V19-L264 HydrophobicContact CG1-CD1 4.22Å; V19-L264 HydrophobicContact CG1-CD2 3.95Å; V19-L264 HydrophobicContact CG1-CG 3.94Å; K20-L264 HydrophobicContact CG-CD2 4.3Å; A260-L264 VanDerWaalsContact O-CB 3.31Å; A260-L264 WeakPolarHBondContact O-CB 3.46Å; A260-L264 WeakPolarHBondContact O-CG 3.21Å; A260-L264 PolarHBondContact O-N 2.82Å; K261-L264 PolarHBondContact O-N 2.76Å; L264-Y266 VanDerWaalsContact C-N 3.33Å; L264-L267 PolarHBondContact O-N 3.01Å; L264-N268 WeakPolarHBondContact O-CB 3.48Å; L264-N268 PolarHBondContact O-N 3.38Å; L264-N268 PolarHBondContact O-ND2 3.12Å
265	D	98.2	Very high	93.6	Very high	93 Å²	93	61.3 Å²	61.3	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-43.5	176.7	-69.4	-18	0	0	0	110.4	K261 A269	K261-D265 WeakPolarHBondContact O-CB 3.31Å; K261-D265 VanDerWaalsContact O-CG 3.23Å; K261-D265 PolarHBondContact O-N 2.79Å; D265-A269 WeakPolarHBondContact O-CB 3.31Å; D265-A269 PolarHBondContact O-N 2.99Å; D265-A269 VanDerWaalsContact O-N 3.1Å
266	Y	98.3	Very high	92	Very high	99 Å²	99	62.5 Å²	62.5	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-59.7	-49.7	174.6	177.9	-96.4	0	0	0	112.5	D241 P243 E262 V263 L264 A269 Q270	D241-Y266 HydrophobicContact CB-CE1 4.09Å; D241-Y266 WeakPolarHBondContact O-CD1 3.44Å; D241-Y266 WeakPolarHBondContact O-CE1 3.21Å; P243-Y266 HydrophobicContact CG-CD1 3.86Å; P243-Y266 HydrophobicContact CG-CD2 3.78Å; P243-Y266 HydrophobicContact CG-CE1 4.14Å; P243-Y266 HydrophobicContact CG-CE2 4.08Å; P243-Y266 HydrophobicContact CG-CG 3.66Å; E262-Y266 WeakPolarHBondContact O-CB 3.35Å; E262-Y266 PolarHBondContact O-N 3.42Å; V263-Y266 PolarHBondContact O-N 3.12Å; L264-Y266 VanDerWaalsContact C-N 3.33Å; Y266-A269 PolarHBondContact O-N 2.84Å; Y266-Q270 HydrophobicContact CE1-CG 4.5Å; Y266-Q270 PolarHBondContact O-N 3.04Å; Y266-Q270 PolarHBondContact OH-NE2 3.34Å
267	L	98.1	Very high	90	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-65.6	-41.5	-179.9	-67.1	168.5	0	0	0	112.2	T12 R15 I16 D241 F242 V263 L264 A269 Q270	T12-L267 HydrophobicContact CG2-CB 4.02Å; T12-L267 HydrophobicContact CG2-CD2 4.19Å; T12-L267 WeakPolarHBondContact CG2-O 3.48Å; R15-L267 HydrophobicContact CB-CD1 3.85Å; R15-L267 HydrophobicContact CB-CD2 4.17Å; I16-L267 HydrophobicContact CD1-CB 3.91Å; I16-L267 HydrophobicContact CG1-CB 3.57Å; I16-L267 HydrophobicContact CG1-CD1 3.88Å; I16-L267 HydrophobicContact CG1-CG 4.36Å; D241-L267 HydrophobicContact CB-CD2 3.8Å; F242-L267 HydrophobicContact CD1-CD1 4.4Å; F242-L267 HydrophobicContact CE1-CD1 3.95Å; V263-L267 HydrophobicContact CG1-CD1 3.8Å; V263-L267 HydrophobicContact CG1-CG 4.32Å; V263-L267 VanDerWaalsContact O-CG 3.24Å; V263-L267 WeakPolarHBondContact O-CG 3.47Å; V263-L267 PolarHBondContact O-N 3.11Å; L264-L267 PolarHBondContact O-N 3.01Å; L267-A269 VanDerWaalsContact C-N 3.25Å; L267-A269 PolarHBondContact O-N 2.86Å; L267-Q270 WeakPolarHBondContact O-CB 3.43Å; L267-Q270 PolarHBondContact O-N 2.81Å; L267-Q270 VanDerWaalsContact O-N 3.11Å
268	N	97	Very high	88.1	Confident	75 Å²	75	67.7 Å²	67.7	40%	0.401	40%	0.398	S	S	.	.	H	α-helix	trans	-62.4	-35	176.9	-78	-61.8	0	0	0	111.8	L264 Q270 L271	L264-N268 WeakPolarHBondContact O-CB 3.48Å; L264-N268 PolarHBondContact O-N 3.38Å; L264-N268 PolarHBondContact O-ND2 3.12Å; N268-Q270 PolarHBondContact O-N 3.13Å; N268-L271 PolarHBondContact O-N 3.06Å
269	A	96.7	Very high	86.8	Confident	88 Å²	88	62.4 Å²	62.4	73%	0.727	36%	0.362	S	S	*	.	H	α-helix	trans	-68.6	-19.9	176.5	0	0	0	0	0	113.7	D265 Y266 L267	D265-A269 WeakPolarHBondContact O-CB 3.31Å; D265-A269 PolarHBondContact O-N 2.99Å; D265-A269 VanDerWaalsContact O-N 3.1Å; Y266-A269 PolarHBondContact O-N 2.84Å; L267-A269 VanDerWaalsContact C-N 3.25Å; L267-A269 PolarHBondContact O-N 2.86Å
270	Q	94.8	Very high	85.5	Confident	65 Å²	65	63.1 Å²	63.1	30%	0.304	38%	0.376	S	S	.	.	H	α-helix	trans	-82.1	-17.5	175.7	-67.5	-169.3	-14.8	0	0	113.7	T12 Y266 L267 N268 S272	T12-Q270 HydrophobicContact CG2-CB 4.28Å; Y266-Q270 HydrophobicContact CE1-CG 4.5Å; Y266-Q270 PolarHBondContact O-N 3.04Å; Y266-Q270 PolarHBondContact OH-NE2 3.34Å; L267-Q270 WeakPolarHBondContact O-CB 3.43Å; L267-Q270 PolarHBondContact O-N 2.81Å; L267-Q270 VanDerWaalsContact O-N 3.11Å; N268-Q270 PolarHBondContact O-N 3.13Å; Q270-S272 PolarHBondContact O-N 3.36Å
271	L	93.8	Very high	84.6	Confident	24 Å²	24	68.5 Å²	68.5	13%	0.126	40%	0.403	C	S	.	.			trans	-69.6	122	-177.8	-69.4	174.3	0	0	0	111	D9 T12 R13 I16 N268	D9-L271 HydrophobicContact CB-CD2 4.15Å; D9-L271 WeakPolarHBondContact O-CD2 3.34Å; T12-L271 HydrophobicContact CG2-CD2 3.78Å; T12-L271 HydrophobicContact CG2-CG 4.05Å; R13-L271 HydrophobicContact CG-CD2 3.94Å; I16-L271 HydrophobicContact CD1-CD1 3.89Å; I16-L271 HydrophobicContact CD1-CG 4.46Å; N268-L271 PolarHBondContact O-N 3.06Å
272	S	89	Confident	84.2	Confident	67 Å²	67	61.6 Å²	61.6	47%	0.469	37%	0.374	S	S	.	.	S	Bend	trans	-80.3	-23	175.3	75.5	0	0	0	0	113.1	M1 Q5 D9 Q270	M1-S272 WeakPolarHBondContact CE-OG 3.5Å; Q5-S272 WeakPolarHBondContact CG-OG 3.38Å; Q5-S272 PolarHBondContact NE2-OG 3.32Å; D9-S272 VanDerWaalsContact CG-OG 3.27Å; D9-S272 PolarHBondContact OD1-N 3.34Å; D9-S272 VanDerWaalsContact OD1-N 3.13Å; D9-S272 PolarHBondContact OD1-OG 2.99Å; D9-S272 VanDerWaalsContact OD1-OG 3.09Å; D9-S272 PolarHBondContact OD2-N 3.33Å; D9-S272 PolarHBondContact OD2-OG 3.09Å; Q270-S272 PolarHBondContact O-N 3.36Å
273	N	80.2	Confident	84	Confident	46 Å²	46	60.4 Å²	60.4	25%	0.246	38%	0.376	C	S	.	.			trans	-138	132.9	169.4	-176.9	5	0	0	0	110.5	M1 D9 R13 S275 S278	M1-N273 HydrophobicContact CE-CB 3.4Å; D9-N273 PolarHBondContact OD2-N 3.47Å; R13-N273 PolarHBondContact NH2-O 3.13Å; N273-S275 PolarHBondContact ND2-OG 2.85Å; N273-S275 PolarHBondContact OD1-N 3.37Å; N273-S275 PolarHBondContact OD1-OG 2.98Å; N273-S278 PolarHBondContact ND2-OG 3.07Å
274	T	73.8	Confident	83.8	Confident	113 Å²	113	67.6 Å²	67.6	69%	0.693	41%	0.407	S	S	*	.			trans	-88	-14.2	178.7	55.9	0	0	0	0	113.9	R13 V276	R13-T274 PolarHBondContact NH1-O 3.04Å; R13-T274 VanDerWaalsContact NH2-CA 3.33Å; R13-T274 PolarHBondContact NH2-O 2.75Å; T274-V276 PolarHBondContact O-N 3.14Å
275	S	70.4	Confident	83.7	Confident	53 Å²	53	66.8 Å²	66.8	37%	0.371	40%	0.403	S	S	.	.			trans	-74.9	124.8	176.5	70.8	0	0	0	0	113.1	R13 N273 G277 S278	R13-S275 PolarHBondContact NH2-O 2.9Å; N273-S275 PolarHBondContact ND2-OG 2.85Å; N273-S275 PolarHBondContact OD1-N 3.37Å; N273-S275 PolarHBondContact OD1-OG 2.98Å; S275-G277 VanDerWaalsContact C-N 3.35Å; S275-S278 PolarHBondContact OG-OG 3.35Å
276	V	64.4	Low	83.5	Confident	56 Å²	56	67 Å²	67	34%	0.339	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-27.5	178.7	-177.2	0	0	0	0	112.6	R13 T274 S278 Y279	R13-V276 VanDerWaalsContact NH1-CG2 3.3Å; T274-V276 PolarHBondContact O-N 3.14Å; V276-S278 PolarHBondContact O-N 3.43Å; V276-Y279 WeakPolarHBondContact O-CD2 3.42Å
277	G	55.7	Low	83.4	Confident	81 Å²	81	68.4 Å²	68.4	84%	0.835	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	10.2	-162	0	0	0	0	0	117.9	S275	S275-G277 VanDerWaalsContact C-N 3.35Å
278	S	56	Low	83.3	Confident	69 Å²	69	71.5 Å²	71.5	48%	0.483	44%	0.435	S	S	.	.			trans	-111.9	23.7	-170.9	65.3	0	0	0	0	114.8	N273 S275 V276	N273-S278 PolarHBondContact ND2-OG 3.07Å; S275-S278 PolarHBondContact OG-OG 3.35Å; V276-S278 PolarHBondContact O-N 3.43Å
279	Y	68.7	Low	83.2	Confident	32 Å²	32	68.4 Å²	68.4	13%	0.125	42%	0.419	C	S	.	.	S	Bend	trans	-109.7	144.6	-177.8	-52.8	-63.1	0	0	0	111.4	M1 V6 V10 V276 L281	M1-Y279 HydrophobicContact SD-CE1 4.42Å; V6-Y279 HydrophobicContact CB-CD1 3.98Å; V6-Y279 HydrophobicContact CB-CE1 4.07Å; V6-Y279 HydrophobicContact CG1-CD1 3.22Å; V6-Y279 HydrophobicContact CG1-CE1 3.73Å; V6-Y279 HydrophobicContact CG1-CG 3.99Å; V6-Y279 HydrophobicContact CG2-CD1 3.79Å; V6-Y279 HydrophobicContact CG2-CE1 3.87Å; V10-Y279 HydrophobicContact CG2-CD2 4.11Å; V10-Y279 HydrophobicContact CG2-CE2 4.16Å; V10-Y279 HydrophobicContact CG2-CG 4.37Å; V276-Y279 WeakPolarHBondContact O-CD2 3.42Å; Y279-L281 PolarHBondContact O-N 3.08Å
280	S	69.6	Low	83	Confident	85 Å²	85	68.1 Å²	68.1	59%	0.594	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-61.7	129.9	178.4	47.9	0	0	0	0	110.4
281	L	79.8	Confident	82.9	Confident	120 Å²	120	72.5 Å²	72.5	63%	0.628	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-57.3	152.7	169.4	-69.3	171.4	0	0	0	110.5	P52 Y279	P52-L281 HydrophobicContact CG-CD2 4.48Å; Y279-L281 PolarHBondContact O-N 3.08Å
282	P	89.1	Confident	82.9	Confident	8 Å²	8	73.6 Å²	73.6	5%	0.052	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-54.4	153.2	172.8	24.9	-35.9	0	0	0	111.1	Y50 P52	Y50-P282 HydrophobicContact CD1-CB 3.99Å; Y50-P282 HydrophobicContact CD1-CG 4.29Å; Y50-P282 HydrophobicContact CD2-CG 4.35Å; Y50-P282 HydrophobicContact CE1-CB 3.51Å; Y50-P282 HydrophobicContact CE1-CG 3.81Å; Y50-P282 HydrophobicContact CE2-CG 3.92Å; P52-P282 HydrophobicContact CG-CG 3.67Å
283	S	93.7	Very high	83.2	Confident	64 Å²	64	78.7 Å²	78.7	45%	0.448	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-61.5	140.9	175.5	-69.1	0	0	0	0	110.3	R49 Y50	R49-S283 CarbonylContact C-O 3.49Å; R49-S283 WeakPolarHBondContact CA-O 3.44Å; Y50-S283 PolarHBondContact N-O 2.75Å; Y50-S283 VanDerWaalsContact N-O 3.07Å
284	K	94.6	Very high	83.9	Confident	150 Å²	150	77.5 Å²	77.5	65%	0.652	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-70.6	143.2	175.6	-66.8	-177.7	179.6	-178.3	0	110
285	P	95.9	Very high	84.9	Confident	14 Å²	14	74.7 Å²	74.7	9%	0.091	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-68	159.6	173	29.9	-33.7	0	0	0	110.9	R49 K51 S59	R49-P285 HydrophobicContact CB-CB 4.27Å; K51-P285 HydrophobicContact CG-CG 4.41Å; S59-P285 WeakPolarHBondContact O-CB 3.35Å
286	L	94.8	Very high	86	Confident	98 Å²	98	74.9 Å²	74.9	51%	0.513	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-72.5	127.9	167.5	-61	176	0	0	0	108	S59 D288	S59-L286 WeakPolarHBondContact CB-O 3.27Å; S59-L286 PolarHBondContact OG-O 2.95Å; S59-L286 VanDerWaalsContact OG-O 3.07Å; L286-D288 PolarHBondContact O-N 3.04Å; L286-D288 VanDerWaalsContact O-OD1 3.09Å
287	D	94.5	Very high	87.6	Confident	128 Å²	128	76.1 Å²	76.1	68%	0.684	45%	0.446	S	S	*	.	S	Bend	trans	-81.1	72.1	-174.9	-150.9	-5.8	0	0	0	110.9	K51	K51-D287 IonicContact NZ-OD2 2.72Å
288	D	96.3	Very high	89.6	Confident	65 Å²	65	72.5 Å²	72.5	35%	0.348	41%	0.407	S	S	.	.			trans	-115.8	6.2	-172.1	61.4	4.6	0	0	0	113.8	S59 S138 L286	S59-D288 PolarHBondContact OG-N 3.44Å; S59-D288 VanDerWaalsContact OG-N 3.09Å; S59-D288 PolarHBondContact OG-OD1 3.41Å; S138-D288 WeakPolarHBondContact CB-OD2 3.47Å; S138-D288 PolarHBondContact N-OD2 3.49Å; S138-D288 PolarHBondContact OG-OD2 2.76Å; L286-D288 PolarHBondContact O-N 3.04Å; L286-D288 VanDerWaalsContact O-OD1 3.09Å
289	C	95.1	Very high	91.6	Very high	10 Å²	10	76 Å²	76	7%	0.068	41%	0.414	C	S	.	.			trans	-139.3	126.4	-176	-165.9	0	0	0	0	109.6	P58 S59 A137 R378	P58-C289 HydrophobicContact CB-CB 4.2Å; P58-C289 WeakPolarHBondContact CG-O 3.36Å; S59-C289 WeakPolarHBondContact OG-CB 3.35Å; S59-C289 PolarHBondContact OG-N 3.21Å; A137-C289 HydrophobicContact CB-CB 4.03Å; C289-R378 PolarHBondContact SG-NH2 3.26Å
290	S	93.1	Very high	93	Very high	83 Å²	83	75.1 Å²	75.1	58%	0.58	41%	0.411	S	S	*	.			trans	-99.3	156.7	-177.9	56.6	0	0	0	0	112.6	R378	S290-R378 PolarHBondContact O-NH1 3.1Å; S290-R378 PolarHBondContact O-NH2 3.04Å
291	E	92	Very high	94.3	Very high	156 Å²	156	75 Å²	75	73%	0.729	41%	0.408	S	S	*	.			trans	-67	145.5	173.3	-169.2	-179.2	171.2	0	0	111.2
292	L	95.1	Very high	95.1	Very high	47 Å²	47	71.7 Å²	71.7	25%	0.246	40%	0.396	C	S	.	.			trans	-126.3	145.4	-178.8	-62.7	174.5	0	0	0	110.9	L294 R331	L292-L294 HydrophobicContact CB-CD2 4.32Å; L292-L294 HydrophobicContact CB-CG 4.19Å; L292-R331 HydrophobicContact CD1-CG 4.32Å
293	K	94.2	Very high	95.5	Very high	174 Å²	174	73.2 Å²	73.2	76%	0.757	41%	0.408	S	S	*	.			trans	-125.2	92.3	170.8	-66.1	-175.2	-178.1	-178.8	0	108.9	T297	K293-T297 WeakPolarHBondContact O-CG2 3.43Å
294	L	95.9	Very high	95.8	Very high	21 Å²	21	70.2 Å²	70.2	11%	0.11	39%	0.388	C	S	.	.			trans	-95.7	-48	-171.9	-56.1	175.4	0	0	0	112.8	L292 G296 T297 R331 G377 I380	L292-L294 HydrophobicContact CB-CD2 4.32Å; L292-L294 HydrophobicContact CB-CG 4.19Å; L294-G296 PolarHBondContact O-N 2.92Å; L294-T297 WeakPolarHBondContact O-CB 3.47Å; L294-T297 PolarHBondContact O-N 3.47Å; L294-T297 PolarHBondContact O-OG1 2.82Å; L294-R331 HydrophobicContact CD1-CB 3.56Å; L294-R331 HydrophobicContact CD1-CG 4.03Å; L294-R331 HydrophobicContact CD2-CB 3.91Å; L294-R331 HydrophobicContact CD2-CG 3.87Å; L294-R331 HydrophobicContact CG-CB 4.39Å; L294-G377 WeakPolarHBondContact CD1-O 3.24Å; L294-I380 HydrophobicContact CB-CD1 3.79Å; L294-I380 HydrophobicContact CB-CG1 4Å; L294-I380 HydrophobicContact CD1-CG1 4.25Å
295	V	93.9	Very high	95.8	Very high	55 Å²	55	70.3 Å²	70.3	33%	0.333	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	128.1	-178.1	-178.6	0	0	0	0	109.8	N460 V462	V295-N460 WeakPolarHBondContact CG1-O 3.21Å; V295-V462 HydrophobicContact CG1-CG2 4.12Å
296	G	94.8	Very high	95.9	Very high	57 Å²	57	71.2 Å²	71.2	59%	0.588	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-5.2	-175.4	0	0	0	0	0	114.5	L294 N460	L294-G296 PolarHBondContact O-N 2.92Å; G296-N460 WeakPolarHBondContact CA-OD1 3.23Å; G296-N460 PolarHBondContact N-OD1 3.31Å
297	T	96.6	Very high	96.1	Very high	82 Å²	82	74 Å²	74	50%	0.503	40%	0.4	S	S	.	.			trans	-106.3	-13	-178.2	73.2	0	0	0	0	114.2	K293 L294 N460	K293-T297 WeakPolarHBondContact O-CG2 3.43Å; L294-T297 WeakPolarHBondContact O-CB 3.47Å; L294-T297 PolarHBondContact O-N 3.47Å; L294-T297 PolarHBondContact O-OG1 2.82Å; T297-N460 PolarHBondContact N-OD1 3.05Å; T297-N460 VanDerWaalsContact N-OD1 3.14Å
298	I	98.1	Very high	96.3	Very high	4 Å²	4	73.7 Å²	73.7	2%	0.021	40%	0.397	C	S	.	.			trans	-80.7	133.3	-172.9	-52.5	-51.4	0	0	0	110.4	I325 C329 V332 I380 A459 N460	I298-I325 HydrophobicContact CG2-CB 3.83Å; I298-I325 HydrophobicContact CG2-CD1 4.23Å; I298-I325 HydrophobicContact CG2-CG2 3.97Å; I298-C329 HydrophobicContact CD1-CB 3.6Å; I298-V332 HydrophobicContact CD1-CG2 4.14Å; I298-V332 HydrophobicContact CG1-CG2 4.44Å; I298-V332 HydrophobicContact CG2-CG2 4.39Å; I298-I380 HydrophobicContact CD1-CD1 3.6Å; I298-I380 HydrophobicContact CG1-CD1 3.24Å; I298-A459 HydrophobicContact CB-CB 3.94Å; I298-A459 HydrophobicContact CG1-CB 4.15Å; I298-A459 HydrophobicContact CG2-CB 3.82Å; I298-N460 PolarHBondContact N-OD1 3.4Å; I298-N460 PolarHBondContact O-ND2 3.36Å
299	K	97.1	Very high	96.3	Very high	142 Å²	142	72.8 Å²	72.8	62%	0.617	40%	0.403	S	S	*	.			trans	-141.5	148.7	177.4	-64.6	-175.5	-179.5	179.1	0	110.8	T328 E456	K299-T328 PolarHBondContact O-OG1 3.26Å; K299-E456 VanDerWaalsContact CA-OE1 3.23Å; K299-E456 WeakPolarHBondContact CA-OE1 3.13Å
300	L	98.1	Very high	96.5	Very high	15 Å²	15	75.2 Å²	75.2	8%	0.079	42%	0.416	C	S	.	.			trans	-62.6	138.1	163.4	-70.6	165.6	0	0	0	108.7	S302 A321 R324 I325 E452 E456	L300-S302 WeakPolarHBondContact CB-O 3.43Å; L300-S302 PolarHBondContact O-N 3.14Å; L300-S302 VanDerWaalsContact O-N 3.14Å; L300-A321 HydrophobicContact CD2-CB 4.46Å; L300-R324 HydrophobicContact CD2-CB 4.14Å; L300-I325 HydrophobicContact CD2-CG2 3.86Å; L300-I325 HydrophobicContact CG-CG2 4.32Å; L300-E452 HydrophobicContact CD1-CB 4.05Å; L300-E456 HydrophobicContact CD1-CB 4.31Å; L300-E456 HydrophobicContact CG-CB 4.21Å; L300-E456 HydrophobicContact CG-CG 4.48Å; L300-E456 PolarHBondContact N-OE1 2.98Å
301	P	97.1	Very high	96.7	Very high	81 Å²	81	76.6 Å²	76.6	53%	0.526	41%	0.414	S	S	.	.	S	Bend	trans	-66.8	-15.4	-179	25.9	-34	0	0	0	113.5	R324 T328	P301-R324 HydrophobicContact CG-CB 4.25Å; P301-T328 HydrophobicContact CB-CG2 3.83Å; P301-T328 HydrophobicContact CG-CG2 4.09Å
302	S	97.8	Very high	97	Very high	52 Å²	52	69.9 Å²	69.9	36%	0.364	38%	0.384	S	S	.	.	S	Bend	trans	-160.3	171.1	178.9	53.8	0	0	0	0	109	L300 R324	L300-S302 WeakPolarHBondContact CB-O 3.43Å; L300-S302 PolarHBondContact O-N 3.14Å; L300-S302 VanDerWaalsContact O-N 3.14Å; S302-R324 PolarHBondContact O-NH2 3.34Å; S302-R324 PolarHBondContact OG-NH2 3.03Å
303	A	97.7	Very high	97.2	Very high	39 Å²	39	67.7 Å²	67.7	32%	0.322	37%	0.373	S	S	.	.	S	Bend	trans	-60.4	156.8	170.5	0	0	0	0	0	111.7	R324 P480	A303-R324 PolarHBondContact O-NH2 3.21Å; A303-P480 HydrophobicContact CB-CB 4.06Å
304	P	98.3	Very high	97.4	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.013	34%	0.337	C	S	.	.			trans	-51.7	139.6	170.4	-28.8	36.9	0	0	0	112.8	Y306 V449 E452 P480	P304-Y306 HydrophobicContact CB-CD2 3.82Å; P304-Y306 HydrophobicContact CB-CE2 4.01Å; P304-Y306 PolarHBondContact O-N 2.86Å; P304-V449 HydrophobicContact CB-CB 4.41Å; P304-V449 HydrophobicContact CB-CG1 4.32Å; P304-V449 HydrophobicContact CB-CG2 4.1Å; P304-V449 HydrophobicContact CG-CG1 4.11Å; P304-E452 VanDerWaalsContact CA-OE2 3.27Å; P304-E452 WeakPolarHBondContact CA-OE2 3.18Å; P304-E452 VanDerWaalsContact CB-OE2 3.28Å; P304-E452 WeakPolarHBondContact CB-OE2 3.03Å; P304-E452 HydrophobicContact CG-CB 4.22Å; P304-E452 WeakPolarHBondContact CG-OE2 3.38Å; P304-P480 WeakPolarHBondContact CD-O 3.33Å; P304-P480 WeakPolarHBondContact O-CB 3.04Å; P304-P480 WeakPolarHBondContact O-CG 3.38Å
305	Q	96.5	Very high	97.5	Very high	151 Å²	151	60.3 Å²	60.3	71%	0.706	34%	0.339	S	S	*	.			trans	-106.3	63.1	-170.8	-64.5	-175.4	-15.2	0	0	111.8
306	Y	98	Very high	97.7	Very high	33 Å²	33	60 Å²	60	13%	0.129	34%	0.335	C	S	.	.			trans	-129	149.9	-177.9	-53.4	-71.6	0	0	0	111.4	P304 V312 A448 V449 E452 V476 P480	P304-Y306 HydrophobicContact CB-CD2 3.82Å; P304-Y306 HydrophobicContact CB-CE2 4.01Å; P304-Y306 PolarHBondContact O-N 2.86Å; Y306-V312 HydrophobicContact CD1-CG2 4.13Å; Y306-V312 HydrophobicContact CE1-CG1 4.28Å; Y306-V312 HydrophobicContact CE1-CG2 4.26Å; Y306-A448 HydrophobicContact CD1-CB 4.08Å; Y306-A448 HydrophobicContact CD2-CB 3.71Å; Y306-A448 HydrophobicContact CE1-CB 3.94Å; Y306-A448 HydrophobicContact CE2-CB 3.55Å; Y306-A448 HydrophobicContact CG-CB 3.97Å; Y306-V449 HydrophobicContact CD2-CG2 3.97Å; Y306-E452 HydrophobicContact CE2-CG 4.07Å; Y306-E452 PolarHBondContact OH-OE1 3.03Å; Y306-V476 HydrophobicContact CG-CG2 4.36Å; Y306-P480 WeakPolarHBondContact O-CG 3.34Å
307	K	97.7	Very high	97.9	Very high	158 Å²	158	57.2 Å²	57.2	69%	0.687	31%	0.307	S	S	*	.			trans	-98.1	146.2	170.2	-60.3	174.5	-176	174.4	0	109.5	G309 D310 V476	K307-G309 PolarHBondContact O-N 3.44Å; K307-D310 WeakPolarHBondContact CB-OD2 3.45Å; K307-D310 PolarHBondContact N-OD2 3.02Å; K307-D310 VanDerWaalsContact O-CB 3.3Å; K307-D310 WeakPolarHBondContact O-CB 3.1Å; K307-D310 PolarHBondContact O-N 2.9Å; K307-V476 WeakPolarHBondContact O-CB 3.49Å
308	I	98.2	Very high	98	Very high	120 Å²	120	53.4 Å²	53.4	62%	0.615	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	130.2	171.6	-65.2	174.5	0	0	0	108.7	V476	I308-V476 WeakPolarHBondContact CA-O 3.43Å
309	G	97.6	Very high	98.1	Very high	46 Å²	46	53.2 Å²	53.2	47%	0.474	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-9.3	-176.3	0	0	0	0	0	115.3	K307 M311 V476	K307-G309 PolarHBondContact O-N 3.44Å; G309-M311 PolarHBondContact O-N 3.37Å; G309-V476 PolarHBondContact N-O 3.41Å
310	D	98.4	Very high	98.2	Very high	62 Å²	62	48 Å²	48	33%	0.332	26%	0.262	S	S	.	.			trans	-59.6	136.7	172	-75.2	-17.4	0	0	0	110	K307 V312 P475 V476	K307-D310 WeakPolarHBondContact CB-OD2 3.45Å; K307-D310 PolarHBondContact N-OD2 3.02Å; K307-D310 VanDerWaalsContact O-CB 3.3Å; K307-D310 WeakPolarHBondContact O-CB 3.1Å; K307-D310 PolarHBondContact O-N 2.9Å; D310-V312 HydrophobicContact CB-CG2 4.2Å; D310-P475 CarbonylContact O-C 3.51Å; D310-P475 WeakPolarHBondContact O-CA 3.4Å; D310-V476 HydrophobicContact CB-CG2 4.21Å; D310-V476 WeakPolarHBondContact O-CG2 3.45Å; D310-V476 PolarHBondContact O-N 2.97Å
311	M	98.3	Very high	98.2	Very high	111 Å²	111	47.2 Å²	47.2	55%	0.547	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	104.5	-178.9	-65.2	-59.4	-63	0	0	110.2	G309 N473 P475	G309-M311 PolarHBondContact O-N 3.37Å; M311-N473 HydrophobicContact CB-CB 4.16Å; M311-N473 HydrophobicContact CE-CB 4.4Å; M311-P475 HydrophobicContact SD-CB 3.89Å
312	V	98.4	Very high	98.3	Very high	15 Å²	15	43.4 Å²	43.4	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.5	-172.7	-175.3	0	0	0	0	110.4	Y306 D310 L316 A448 Q474 V476	Y306-V312 HydrophobicContact CD1-CG2 4.13Å; Y306-V312 HydrophobicContact CE1-CG1 4.28Å; Y306-V312 HydrophobicContact CE1-CG2 4.26Å; D310-V312 HydrophobicContact CB-CG2 4.2Å; V312-L316 HydrophobicContact CG1-CD2 4.23Å; V312-L316 HydrophobicContact CG1-CG 4.49Å; V312-A448 HydrophobicContact CB-CB 3.91Å; V312-A448 HydrophobicContact CG1-CB 3.75Å; V312-A448 HydrophobicContact CG2-CB 4.43Å; V312-Q474 PolarHBondContact N-O 3.34Å; V312-Q474 PolarHBondContact O-N 3.23Å; V312-V476 HydrophobicContact CG2-CG2 4.32Å
313	A	98.1	Very high	98.3	Very high	2 Å²	2	41.4 Å²	41.4	2%	0.017	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	137.2	172.9	0	0	0	0	0	110.9	R315 L316 A317 R471 P472 N473	A313-R315 VanDerWaalsContact C-N 3.26Å; A313-R315 HydrophobicContact CB-CG 3.99Å; A313-R315 PolarHBondContact O-N 3.29Å; A313-L316 HydrophobicContact CB-CB 4.37Å; A313-L316 WeakPolarHBondContact O-CA 3.34Å; A313-L316 WeakPolarHBondContact O-CB 3.3Å; A313-L316 PolarHBondContact O-N 2.67Å; A313-A317 PolarHBondContact O-N 2.95Å; A313-A317 VanDerWaalsContact O-N 3.12Å; A313-R471 WeakPolarHBondContact CB-O 3.31Å; A313-P472 WeakPolarHBondContact CA-O 3.31Å; A313-P472 WeakPolarHBondContact CB-O 3.41Å; A313-N473 WeakPolarHBondContact CB-OD1 3.36Å; A313-N473 PolarHBondContact N-OD1 3.06Å
314	T	98.6	Very high	98.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-32.7	179.5	51.5	0	0	0	0	112.1	L316 A317 Y318 T451 G470	T314-L316 VanDerWaalsContact C-N 3.29Å; T314-L316 PolarHBondContact O-N 2.93Å; T314-A317 PolarHBondContact O-N 3.05Å; T314-Y318 PolarHBondContact O-N 3.25Å; T314-T451 VanDerWaalsContact CB-OG1 3.26Å; T314-T451 WeakPolarHBondContact CB-OG1 3.3Å; T314-T451 VanDerWaalsContact CG2-OG1 3.3Å; T314-T451 WeakPolarHBondContact CG2-OG1 3.4Å; T314-T451 WeakPolarHBondContact O-CG2 3.34Å; T314-G470 PolarHBondContact OG1-N 3.04Å
315	R	98.5	Very high	98.4	Very high	37 Å²	37	40.7 Å²	40.7	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-35.2	170.8	66.3	-176.9	-174.4	142.2	-2.2	113.6	A313 Y318 G319 S342 F344 H413 G470 R471	A313-R315 VanDerWaalsContact C-N 3.26Å; A313-R315 HydrophobicContact CB-CG 3.99Å; A313-R315 PolarHBondContact O-N 3.29Å; R315-Y318 WeakPolarHBondContact O-CB 3.35Å; R315-Y318 PolarHBondContact O-N 2.83Å; R315-G319 PolarHBondContact O-N 3.43Å; R315-G319 VanDerWaalsContact O-N 3.16Å; R315-S342 VanDerWaalsContact CD-O 3.26Å; R315-S342 WeakPolarHBondContact CD-O 3.31Å; R315-S342 PolarHBondContact NH1-O 3.41Å; R315-F344 HydrophobicContact CB-CD2 4.42Å; R315-F344 HydrophobicContact CG-CD2 3.87Å; R315-F344 HydrophobicContact CG-CE2 3.87Å; R315-H413 PolarHBondContact NH1-CE1 3.09Å; R315-G470 VanDerWaalsContact CG-O 3.31Å; R315-G470 WeakPolarHBondContact CG-O 3.2Å; R315-G470 PolarHBondContact N-O 2.89Å; R315-R471 PolarHBondContact NE-O 2.88Å
316	L	98.7	Very high	98.5	Very high	48 Å²	48	33.6 Å²	33.6	25%	0.251	18%	0.175	S	C	.	.	H	α-helix	trans	-71.6	-40.7	176.7	171.7	62.2	0	0	0	111	V312 A313 T314 Y318 G319 T320 F344 K347	V312-L316 HydrophobicContact CG1-CD2 4.23Å; V312-L316 HydrophobicContact CG1-CG 4.49Å; A313-L316 HydrophobicContact CB-CB 4.37Å; A313-L316 WeakPolarHBondContact O-CA 3.34Å; A313-L316 WeakPolarHBondContact O-CB 3.3Å; A313-L316 PolarHBondContact O-N 2.67Å; T314-L316 VanDerWaalsContact C-N 3.29Å; T314-L316 PolarHBondContact O-N 2.93Å; L316-Y318 VanDerWaalsContact C-N 3.33Å; L316-G319 PolarHBondContact O-N 3.41Å; L316-T320 WeakPolarHBondContact O-CB 3.45Å; L316-T320 PolarHBondContact O-N 3.31Å; L316-T320 PolarHBondContact O-OG1 2.97Å; L316-F344 HydrophobicContact CB-CD2 3.91Å; L316-F344 HydrophobicContact CB-CE2 3.94Å; L316-F344 HydrophobicContact CB-CG 4.24Å; L316-F344 HydrophobicContact CB-CZ 4.31Å; L316-F344 HydrophobicContact CD1-CB 4.38Å; L316-F344 HydrophobicContact CD1-CD1 3.51Å; L316-F344 HydrophobicContact CD1-CD2 4.29Å; L316-F344 HydrophobicContact CD1-CE1 3.71Å; L316-F344 HydrophobicContact CD1-CE2 4.46Å; L316-F344 HydrophobicContact CD1-CG 3.81Å; L316-F344 HydrophobicContact CD1-CZ 4.18Å; L316-K347 HydrophobicContact CD1-CD 4.41Å
317	A	98.8	Very high	98.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-39.7	173.7	0	0	0	0	0	111.7	A313 T314 T320 A321 A448 T451	A313-A317 PolarHBondContact O-N 2.95Å; A313-A317 VanDerWaalsContact O-N 3.12Å; T314-A317 PolarHBondContact O-N 3.05Å; A317-T320 WeakPolarHBondContact O-CB 3.45Å; A317-T320 PolarHBondContact O-N 3.43Å; A317-A321 WeakPolarHBondContact O-CB 3.21Å; A317-A321 PolarHBondContact O-N 3.11Å; A317-A448 HydrophobicContact CB-CB 3.76Å; A317-T451 HydrophobicContact CB-CG2 4.09Å
318	Y	98.9	Very high	98.4	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-55.5	-54.2	171.9	161	-105.6	0	0	0	111.9	T314 R315 L316 T320 A321 L322 T343 F382 S384 A410 V455	T314-Y318 PolarHBondContact O-N 3.25Å; R315-Y318 WeakPolarHBondContact O-CB 3.35Å; R315-Y318 PolarHBondContact O-N 2.83Å; L316-Y318 VanDerWaalsContact C-N 3.33Å; Y318-T320 PolarHBondContact O-N 3.07Å; Y318-A321 PolarHBondContact O-N 3.26Å; Y318-L322 HydrophobicContact CE1-CD2 4.45Å; Y318-L322 HydrophobicContact CE2-CB 4.41Å; Y318-L322 WeakPolarHBondContact O-CB 3.4Å; Y318-L322 PolarHBondContact O-N 3.47Å; Y318-T343 WeakPolarHBondContact CD1-O 3.34Å; Y318-F382 HydrophobicContact CE2-CD1 4.07Å; Y318-S384 PolarHBondContact OH-OG 2.88Å; Y318-A410 HydrophobicContact CD1-CB 4.1Å; Y318-A410 HydrophobicContact CD2-CB 3.76Å; Y318-A410 HydrophobicContact CE1-CB 3.65Å; Y318-A410 HydrophobicContact CE2-CB 3.3Å; Y318-A410 HydrophobicContact CG-CB 4.15Å; Y318-A410 WeakPolarHBondContact OH-CB 3.49Å; Y318-V455 HydrophobicContact CD2-CG2 3.61Å; Y318-V455 HydrophobicContact CE2-CG2 4.25Å
319	G	98.8	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.5	-34.5	178	0	0	0	0	0	113.2	R315 L316 S323 F344 K347	R315-G319 PolarHBondContact O-N 3.43Å; R315-G319 VanDerWaalsContact O-N 3.16Å; L316-G319 PolarHBondContact O-N 3.41Å; G319-S323 WeakPolarHBondContact O-CB 3.23Å; G319-S323 PolarHBondContact O-N 3.07Å; G319-S323 VanDerWaalsContact O-N 3.11Å; G319-F344 WeakPolarHBondContact CA-O 3.07Å; G319-K347 WeakPolarHBondContact O-CB 3.18Å
320	T	98.8	Very high	98.4	Very high	32 Å²	32	31 Å²	31	20%	0.196	16%	0.162	C	C	.	.	H	α-helix	trans	-68.3	-48	176.9	-56.1	0	0	0	0	111.1	L316 A317 Y318 S323 R324 E452	L316-T320 WeakPolarHBondContact O-CB 3.45Å; L316-T320 PolarHBondContact O-N 3.31Å; L316-T320 PolarHBondContact O-OG1 2.97Å; A317-T320 WeakPolarHBondContact O-CB 3.45Å; A317-T320 PolarHBondContact O-N 3.43Å; Y318-T320 PolarHBondContact O-N 3.07Å; T320-S323 PolarHBondContact O-N 3.39Å; T320-R324 VanDerWaalsContact O-CG 3.24Å; T320-R324 WeakPolarHBondContact O-CG 3.49Å; T320-R324 PolarHBondContact O-N 3.28Å; T320-E452 WeakPolarHBondContact CG2-OE1 3.27Å
321	A	98.9	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-47.4	176	0	0	0	0	0	112.1	L300 A317 Y318 S323 R324 I325 E452 V455	L300-A321 HydrophobicContact CD2-CB 4.46Å; A317-A321 WeakPolarHBondContact O-CB 3.21Å; A317-A321 PolarHBondContact O-N 3.11Å; Y318-A321 PolarHBondContact O-N 3.26Å; A321-S323 VanDerWaalsContact C-N 3.31Å; A321-S323 PolarHBondContact O-N 3.37Å; A321-R324 WeakPolarHBondContact O-CB 3.23Å; A321-R324 PolarHBondContact O-N 3.06Å; A321-I325 WeakPolarHBondContact O-CG1 3.48Å; A321-I325 PolarHBondContact O-N 2.73Å; A321-E452 HydrophobicContact CB-CB 3.8Å; A321-E452 HydrophobicContact CB-CG 3.86Å; A321-V455 HydrophobicContact CB-CB 3.7Å; A321-V455 HydrophobicContact CB-CG1 3.78Å; A321-V455 HydrophobicContact CB-CG2 3.88Å
322	L	98.9	Very high	98.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56	-47.4	178.8	-179.7	65.3	0	0	0	111.2	Y318 R324 I325 G326 V332 L348 F382	Y318-L322 HydrophobicContact CE1-CD2 4.45Å; Y318-L322 HydrophobicContact CE2-CB 4.41Å; Y318-L322 WeakPolarHBondContact O-CB 3.4Å; Y318-L322 PolarHBondContact O-N 3.47Å; L322-R324 VanDerWaalsContact C-N 3.32Å; L322-R324 PolarHBondContact O-N 3.04Å; L322-I325 WeakPolarHBondContact O-CG1 3.35Å; L322-G326 PolarHBondContact O-N 3.49Å; L322-V332 HydrophobicContact CD1-CG1 4.12Å; L322-L348 HydrophobicContact CD1-CD2 4.19Å; L322-L348 HydrophobicContact CD2-CB 4.09Å; L322-L348 HydrophobicContact CD2-CD2 4.02Å; L322-L348 HydrophobicContact CG-CB 4.08Å; L322-L348 HydrophobicContact CG-CD2 3.87Å; L322-F382 HydrophobicContact CD1-CB 3.62Å; L322-F382 HydrophobicContact CD1-CD1 4.16Å; L322-F382 HydrophobicContact CD1-CD2 3.63Å; L322-F382 HydrophobicContact CD1-CE2 4.32Å; L322-F382 HydrophobicContact CD1-CG 3.53Å
323	S	98.7	Very high	98.4	Very high	11 Å²	11	23.6 Å²	23.6	8%	0.077	12%	0.122	C	C	.	.	H	α-helix	trans	-60.1	-41.2	175.3	-179.6	0	0	0	0	112	G319 T320 A321 Q327 K347 V351	G319-S323 WeakPolarHBondContact O-CB 3.23Å; G319-S323 PolarHBondContact O-N 3.07Å; G319-S323 VanDerWaalsContact O-N 3.11Å; T320-S323 PolarHBondContact O-N 3.39Å; A321-S323 VanDerWaalsContact C-N 3.31Å; A321-S323 PolarHBondContact O-N 3.37Å; S323-Q327 VanDerWaalsContact O-CG 3.3Å; S323-Q327 WeakPolarHBondContact O-CG 3.42Å; S323-Q327 PolarHBondContact O-N 3.48Å; S323-Q327 VanDerWaalsContact O-N 3.09Å; S323-Q327 PolarHBondContact O-NE2 2.8Å; S323-K347 PolarHBondContact OG-O 3.46Å; S323-K347 VanDerWaalsContact OG-O 3.07Å; S323-V351 VanDerWaalsContact OG-CG2 3.27Å; S323-V351 WeakPolarHBondContact OG-CG2 3.36Å
324	R	98.6	Very high	98.4	Very high	26 Å²	26	23.5 Å²	23.5	10%	0.098	12%	0.121	C	C	.	.	H	α-helix	trans	-69.1	-47	-179.4	-72.6	171.2	69.9	-172	-1.3	112.6	L300 P301 S302 A303 T320 A321 L322 G326 Q327 T328 E452	L300-R324 HydrophobicContact CD2-CB 4.14Å; P301-R324 HydrophobicContact CG-CB 4.25Å; S302-R324 PolarHBondContact O-NH2 3.34Å; S302-R324 PolarHBondContact OG-NH2 3.03Å; A303-R324 PolarHBondContact O-NH2 3.21Å; T320-R324 VanDerWaalsContact O-CG 3.24Å; T320-R324 WeakPolarHBondContact O-CG 3.49Å; T320-R324 PolarHBondContact O-N 3.28Å; A321-R324 WeakPolarHBondContact O-CB 3.23Å; A321-R324 PolarHBondContact O-N 3.06Å; L322-R324 VanDerWaalsContact C-N 3.32Å; L322-R324 PolarHBondContact O-N 3.04Å; R324-G326 VanDerWaalsContact C-N 3.35Å; R324-Q327 PolarHBondContact O-N 3.48Å; R324-T328 PolarHBondContact O-N 3.18Å; R324-E452 IonicContact CZ-OE2 2.65Å; R324-E452 IonicContact NH1-OE1 3.63Å; R324-E452 PolarHBondContact NH1-OE1 2.77Å; R324-E452 IonicContact NH1-OE2 3.36Å; R324-E452 PolarHBondContact NH1-OE2 3.15Å
325	I	98.6	Very high	98.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-69	-34.6	176.6	60.8	160	0	0	0	111.6	I298 L300 A321 L322 Q327 T328 C329 V332 F382 V455 A459	I298-I325 HydrophobicContact CG2-CB 3.83Å; I298-I325 HydrophobicContact CG2-CD1 4.23Å; I298-I325 HydrophobicContact CG2-CG2 3.97Å; L300-I325 HydrophobicContact CD2-CG2 3.86Å; L300-I325 HydrophobicContact CG-CG2 4.32Å; A321-I325 WeakPolarHBondContact O-CG1 3.48Å; A321-I325 PolarHBondContact O-N 2.73Å; L322-I325 WeakPolarHBondContact O-CG1 3.35Å; I325-Q327 VanDerWaalsContact C-N 3.27Å; I325-Q327 PolarHBondContact O-N 2.76Å; I325-T328 PolarHBondContact O-N 3.49Å; I325-T328 PolarHBondContact O-OG1 3.07Å; I325-C329 PolarHBondContact O-N 2.83Å; I325-V332 HydrophobicContact CD1-CG1 3.85Å; I325-V332 HydrophobicContact CD1-CG2 4.28Å; I325-V332 HydrophobicContact CG1-CG1 4.04Å; I325-F382 HydrophobicContact CD1-CE2 3.65Å; I325-F382 HydrophobicContact CD1-CZ 3.83Å; I325-V455 HydrophobicContact CD1-CG1 3.63Å; I325-V455 HydrophobicContact CG1-CG1 4.19Å; I325-A459 HydrophobicContact CD1-CB 4.11Å
326	G	98.4	Very high	98.5	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-62.1	-31.3	173.3	0	0	0	0	0	113.6	L322 R324 T328 C329 Q355	L322-G326 PolarHBondContact O-N 3.49Å; R324-G326 VanDerWaalsContact C-N 3.35Å; G326-T328 VanDerWaalsContact C-N 3.33Å; G326-C329 CarbonylContact O-C 3.57Å; G326-C329 VanDerWaalsContact O-O 3.08Å; G326-Q355 PolarHBondContact O-NE2 3.27Å; G326-Q355 PolarHBondContact O-OE1 2.98Å
327	Q	97.6	Very high	98.4	Very high	108 Å²	108	19.4 Å²	19.4	51%	0.505	10%	0.102	S	C	.	.	H	α-helix	trans	-72.4	-25	172.5	-74.7	169.3	88.9	0	0	113.3	S323 R324 I325 V351 K352	S323-Q327 VanDerWaalsContact O-CG 3.3Å; S323-Q327 WeakPolarHBondContact O-CG 3.42Å; S323-Q327 PolarHBondContact O-N 3.48Å; S323-Q327 VanDerWaalsContact O-N 3.09Å; S323-Q327 PolarHBondContact O-NE2 2.8Å; R324-Q327 PolarHBondContact O-N 3.48Å; I325-Q327 VanDerWaalsContact C-N 3.27Å; I325-Q327 PolarHBondContact O-N 2.76Å; Q327-V351 HydrophobicContact CG-CG2 4.15Å; Q327-K352 HydrophobicContact CG-CG 4.45Å
328	T	97.1	Very high	98.4	Very high	68 Å²	68	22.9 Å²	22.9	42%	0.417	12%	0.121	S	C	.	.	H	α-helix	trans	-87.2	-23.9	178	64.9	0	0	0	0	113.8	K299 P301 R324 I325 G326	K299-T328 PolarHBondContact O-OG1 3.26Å; P301-T328 HydrophobicContact CB-CG2 3.83Å; P301-T328 HydrophobicContact CG-CG2 4.09Å; R324-T328 PolarHBondContact O-N 3.18Å; I325-T328 PolarHBondContact O-N 3.49Å; I325-T328 PolarHBondContact O-OG1 3.07Å; G326-T328 VanDerWaalsContact C-N 3.33Å
329	C	97.8	Very high	98.3	Very high	18 Å²	18	23.3 Å²	23.3	12%	0.122	12%	0.123	C	C	.	.			trans	-142.8	117.4	-178.6	-178.6	0	0	0	0	110.1	I298 I325 G326 R331 V332 Q355	I298-C329 HydrophobicContact CD1-CB 3.6Å; I325-C329 PolarHBondContact O-N 2.83Å; G326-C329 CarbonylContact O-C 3.57Å; G326-C329 VanDerWaalsContact O-O 3.08Å; C329-R331 PolarHBondContact O-N 2.81Å; C329-V332 HydrophobicContact CB-CG2 3.99Å; C329-V332 PolarHBondContact O-N 3.16Å; C329-V332 VanDerWaalsContact O-N 3.16Å; C329-Q355 PolarHBondContact O-NE2 3.24Å
330	D	97.2	Very high	98.3	Very high	108 Å²	108	24.7 Å²	24.7	58%	0.578	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.3	178.5	65.4	-8.6	0	0	0	113.7
331	R	98.1	Very high	98.3	Very high	32 Å²	32	28 Å²	28	12%	0.121	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.1	175.4	-56.7	-50.6	-172.6	135.3	-13.5	114.1	D135 L292 L294 C329 R378 T379 I380	D135-R331 IonicContact OD1-CZ 3.9Å; D135-R331 IonicContact OD1-NH1 2.58Å; D135-R331 PolarHBondContact OD1-NH1 2.92Å; D135-R331 IonicContact OD1-NH2 3.21Å; D135-R331 PolarHBondContact OD1-NH2 3.06Å; L292-R331 HydrophobicContact CD1-CG 4.32Å; L294-R331 HydrophobicContact CD1-CB 3.56Å; L294-R331 HydrophobicContact CD1-CG 4.03Å; L294-R331 HydrophobicContact CD2-CB 3.91Å; L294-R331 HydrophobicContact CD2-CG 3.87Å; L294-R331 HydrophobicContact CG-CB 4.39Å; C329-R331 PolarHBondContact O-N 2.81Å; R331-R378 PolarHBondContact NH1-O 3.1Å; R331-T379 CarbonylContact O-C 3.59Å; R331-T379 VanDerWaalsContact O-CA 3.31Å; R331-T379 WeakPolarHBondContact O-CA 3.48Å; R331-T379 WeakPolarHBondContact O-CB 3.33Å; R331-I380 PolarHBondContact O-N 2.98Å
332	V	98.7	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.9	165.7	173.2	0	0	0	0	107.6	I298 L322 I325 C329 Q355 I380 F382	I298-V332 HydrophobicContact CD1-CG2 4.14Å; I298-V332 HydrophobicContact CG1-CG2 4.44Å; I298-V332 HydrophobicContact CG2-CG2 4.39Å; L322-V332 HydrophobicContact CD1-CG1 4.12Å; I325-V332 HydrophobicContact CD1-CG1 3.85Å; I325-V332 HydrophobicContact CD1-CG2 4.28Å; I325-V332 HydrophobicContact CG1-CG1 4.04Å; C329-V332 HydrophobicContact CB-CG2 3.99Å; C329-V332 PolarHBondContact O-N 3.16Å; C329-V332 VanDerWaalsContact O-N 3.16Å; V332-Q355 PolarHBondContact O-NE2 3.34Å; V332-I380 WeakPolarHBondContact CA-O 3.5Å; V332-I380 HydrophobicContact CG2-CB 4.18Å; V332-I380 HydrophobicContact CG2-CD1 4.39Å; V332-I380 HydrophobicContact CG2-CG2 4.49Å; V332-F382 HydrophobicContact CG1-CD2 4Å; V332-F382 HydrophobicContact CG1-CE2 4.1Å
333	I	98.7	Very high	98.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.1	-179.6	65.8	170.2	0	0	0	111	I134 L335 Q355 C373 T379 I380 P381 F382	I134-I333 HydrophobicContact CD1-CD1 4.31Å; I134-I333 HydrophobicContact CD1-CG2 3.87Å; I333-L335 HydrophobicContact CD1-CD1 3.94Å; I333-L335 HydrophobicContact CG1-CD1 3.98Å; I333-Q355 CarbonylContact C-O 3.52Å; I333-Q355 VanDerWaalsContact CA-O 3.23Å; I333-Q355 WeakPolarHBondContact CA-O 3.34Å; I333-Q355 WeakPolarHBondContact CB-O 3.41Å; I333-Q355 HydrophobicContact CG2-CB 4.48Å; I333-C373 HydrophobicContact CD1-CB 3.74Å; I333-T379 HydrophobicContact CD1-CG2 4.09Å; I333-I380 PolarHBondContact N-O 2.91Å; I333-P381 HydrophobicContact CD1-CB 4.33Å; I333-P381 HydrophobicContact CG1-CB 4.05Å; I333-F382 PolarHBondContact O-N 3.35Å
334	G	98.8	Very high	98.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.2	170.1	0	0	0	0	0	110.1	L348 Q355 F356 V357 F382	G334-L348 VanDerWaalsContact N-CD2 3.33Å; G334-Q355 PolarHBondContact N-O 2.88Å; G334-F356 CarbonylContact O-C 3.47Å; G334-F356 WeakPolarHBondContact O-CA 3.46Å; G334-V357 PolarHBondContact O-N 2.81Å; G334-F382 WeakPolarHBondContact CA-O 3.33Å
335	L	98.9	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.7	167.6	-54.8	94.7	0	0	0	108.8	I333 V357 L366 V369 A370 P381 F382 V383 S384	I333-L335 HydrophobicContact CD1-CD1 3.94Å; I333-L335 HydrophobicContact CG1-CD1 3.98Å; L335-V357 VanDerWaalsContact CA-O 3.26Å; L335-V357 WeakPolarHBondContact CA-O 3.36Å; L335-V357 HydrophobicContact CD2-CB 4.12Å; L335-V357 HydrophobicContact CD2-CG1 4.44Å; L335-V357 HydrophobicContact CD2-CG2 4.41Å; L335-V357 HydrophobicContact CG-CB 4.02Å; L335-V357 HydrophobicContact CG-CG2 4.28Å; L335-L366 HydrophobicContact CB-CD1 3.41Å; L335-L366 VanDerWaalsContact CB-CD1 3.41Å; L335-V369 HydrophobicContact CD2-CB 4.43Å; L335-V369 HydrophobicContact CD2-CG1 3.7Å; L335-A370 HydrophobicContact CD1-CB 3.99Å; L335-A370 HydrophobicContact CD2-CB 4.01Å; L335-P381 HydrophobicContact CD1-CB 3.51Å; L335-F382 PolarHBondContact N-O 2.73Å; L335-V383 CarbonylContact O-C 3.52Å; L335-V383 WeakPolarHBondContact O-CA 3.33Å; L335-S384 PolarHBondContact O-N 3.29Å
336	D	98.7	Very high	98.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.4	-171.2	-166.9	83.5	0	0	0	112.9	D338 T339 K340 T343 S345 F356 V357 E358 C359 S384	D336-D338 WeakPolarHBondContact OD2-CA 3.46Å; D336-D338 PolarHBondContact OD2-N 2.92Å; D336-D338 VanDerWaalsContact OD2-N 3.12Å; D336-T339 PolarHBondContact OD2-N 2.52Å; D336-K340 HydrophobicContact CB-CB 4.41Å; D336-K340 VanDerWaalsContact CG-N 3.31Å; D336-K340 VanDerWaalsContact OD1-CA 3.3Å; D336-K340 WeakPolarHBondContact OD1-CA 3.36Å; D336-K340 PolarHBondContact OD1-N 3.13Å; D336-K340 VanDerWaalsContact OD1-N 3.12Å; D336-K340 WeakPolarHBondContact OD2-CB 3.49Å; D336-K340 PolarHBondContact OD2-N 3.07Å; D336-T343 PolarHBondContact OD1-OG1 2.63Å; D336-S345 PolarHBondContact OD1-OG 3.08Å; D336-F356 HydrophobicContact CB-CE1 3.83Å; D336-F356 HydrophobicContact CB-CE2 4.39Å; D336-F356 HydrophobicContact CB-CZ 3.44Å; D336-F356 VanDerWaalsContact CB-CZ 3.44Å; D336-V357 PolarHBondContact N-O 2.8Å; D336-E358 VanDerWaalsContact O-OE1 3.12Å; D336-C359 WeakPolarHBondContact O-CA 3.29Å; D336-C359 WeakPolarHBondContact O-CB 3.46Å; D336-C359 PolarHBondContact O-N 3.1Å; D336-S384 WeakPolarHBondContact CA-O 3.5Å; D336-S384 WeakPolarHBondContact OD1-CB 3.25Å
337	G	97.8	Very high	98.2	Very high	1 Å²	1	35 Å²	35	1%	0.01	18%	0.18	C	C	.	.	S	Bend	trans	-99.1	43.5	178	0	0	0	0	0	113.9	T339 F360 S384	G337-T339 PolarHBondContact O-N 3.09Å; G337-F360 CarbonylContact C-O 3.56Å; G337-F360 VanDerWaalsContact C-O 3.23Å; G337-F360 WeakPolarHBondContact CA-O 3.47Å; G337-S384 PolarHBondContact N-O 3.28Å; G337-S384 VanDerWaalsContact N-O 3.13Å
338	D	98.1	Very high	98.3	Very high	74 Å²	74	29.9 Å²	29.9	40%	0.396	16%	0.156	S	C	.	.	S	Bend	trans	50.4	45.1	-167.4	-163	32.4	0	0	0	115.6	D336 K340 E358 I361	D336-D338 WeakPolarHBondContact OD2-CA 3.46Å; D336-D338 PolarHBondContact OD2-N 2.92Å; D336-D338 VanDerWaalsContact OD2-N 3.12Å; D338-K340 IonicContact OD1-NZ 2.73Å; D338-K340 PolarHBondContact OD1-NZ 2.86Å; D338-E358 PolarHBondContact N-OE1 3.26Å; D338-I361 HydrophobicContact CB-CG1 3.91Å
339	T	98	Very high	98.4	Very high	9 Å²	9	30.6 Å²	30.6	6%	0.055	15%	0.151	C	C	.	.			trans	-130	10	174.9	61.9	0	0	0	0	112.7	D336 G337 N341 S342 T343 T385 F386	D336-T339 PolarHBondContact OD2-N 2.52Å; G337-T339 PolarHBondContact O-N 3.09Å; T339-N341 VanDerWaalsContact C-N 3.25Å; T339-N341 PolarHBondContact O-N 2.85Å; T339-N341 VanDerWaalsContact O-N 3.11Å; T339-S342 CarbonylContact O-C 3.53Å; T339-S342 VanDerWaalsContact O-CA 3.31Å; T339-S342 WeakPolarHBondContact O-CA 3.48Å; T339-S342 VanDerWaalsContact O-CB 3.31Å; T339-S342 WeakPolarHBondContact O-CB 3.14Å; T339-S342 PolarHBondContact O-N 3.19Å; T339-T343 PolarHBondContact O-N 2.86Å; T339-T343 PolarHBondContact O-OG1 2.78Å; T339-T343 WeakPolarHBondContact OG1-CG2 3.29Å; T339-T385 WeakPolarHBondContact OG1-CA 3.49Å; T339-F386 HydrophobicContact CG2-CD1 3.78Å; T339-F386 HydrophobicContact CG2-CE1 3.78Å; T339-F386 HydrophobicContact CG2-CG 4.33Å; T339-F386 HydrophobicContact CG2-CZ 4.33Å
340	K	98.5	Very high	98.4	Very high	29 Å²	29	34.5 Å²	34.5	13%	0.126	17%	0.171	C	C	.	.	H	α-helix	trans	-50	-36.3	-176.1	59.4	-164.9	164.6	-73.9	0	115.9	D336 D338 S342 T343 F344 S345 I346 F356 E358	D336-K340 HydrophobicContact CB-CB 4.41Å; D336-K340 VanDerWaalsContact CG-N 3.31Å; D336-K340 VanDerWaalsContact OD1-CA 3.3Å; D336-K340 WeakPolarHBondContact OD1-CA 3.36Å; D336-K340 PolarHBondContact OD1-N 3.13Å; D336-K340 VanDerWaalsContact OD1-N 3.12Å; D336-K340 WeakPolarHBondContact OD2-CB 3.49Å; D336-K340 PolarHBondContact OD2-N 3.07Å; D338-K340 IonicContact OD1-NZ 2.73Å; D338-K340 PolarHBondContact OD1-NZ 2.86Å; K340-S342 PolarHBondContact O-N 3.23Å; K340-T343 WeakPolarHBondContact CA-OG1 3.46Å; K340-F344 CarbonylContact O-C 3.55Å; K340-F344 WeakPolarHBondContact O-CA 3.35Å; K340-F344 PolarHBondContact O-N 3.01Å; K340-S345 VanDerWaalsContact CA-OG 3.23Å; K340-S345 WeakPolarHBondContact CA-OG 3.16Å; K340-S345 VanDerWaalsContact CB-OG 3.24Å; K340-S345 WeakPolarHBondContact CB-OG 3.33Å; K340-S345 PolarHBondContact O-N 3.36Å; K340-I346 HydrophobicContact CB-CB 3.96Å; K340-I346 HydrophobicContact CB-CG1 4.46Å; K340-I346 HydrophobicContact CG-CB 4.23Å; K340-I346 HydrophobicContact CG-CD1 4.31Å; K340-I346 HydrophobicContact CG-CG1 4.23Å; K340-I346 VanDerWaalsContact O-CB 3.31Å; K340-I346 WeakPolarHBondContact O-CB 3.37Å; K340-I346 WeakPolarHBondContact O-CG2 3.24Å; K340-I346 PolarHBondContact O-N 2.96Å; K340-F356 HydrophobicContact CB-CZ 3.88Å; K340-F356 HydrophobicContact CD-CE1 4.01Å; K340-F356 HydrophobicContact CD-CZ 4.16Å; K340-E358 WeakPolarHBondContact CE-OE2 3.32Å; K340-E358 IonicContact NZ-OE2 3.6Å; K340-E358 PolarHBondContact NZ-OE2 3.44Å
341	N	98	Very high	98.5	Very high	102 Å²	102	32.6 Å²	32.6	55%	0.545	16%	0.163	S	C	.	.	H	α-helix	trans	-68.1	-25.8	175.7	64.5	-27	0	0	0	112.4	T339 I346	T339-N341 VanDerWaalsContact C-N 3.25Å; T339-N341 PolarHBondContact O-N 2.85Å; T339-N341 VanDerWaalsContact O-N 3.11Å; N341-I346 HydrophobicContact CB-CD1 4.38Å
342	S	97.9	Very high	98.5	Very high	26 Å²	26	35 Å²	35	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-100.7	-35	-174.6	-62.1	0	0	0	0	112	R315 T339 K340 F344	R315-S342 VanDerWaalsContact CD-O 3.26Å; R315-S342 WeakPolarHBondContact CD-O 3.31Å; R315-S342 PolarHBondContact NH1-O 3.41Å; T339-S342 CarbonylContact O-C 3.53Å; T339-S342 VanDerWaalsContact O-CA 3.31Å; T339-S342 WeakPolarHBondContact O-CA 3.48Å; T339-S342 VanDerWaalsContact O-CB 3.31Å; T339-S342 WeakPolarHBondContact O-CB 3.14Å; T339-S342 PolarHBondContact O-N 3.19Å; K340-S342 PolarHBondContact O-N 3.23Å; S342-F344 VanDerWaalsContact C-N 3.29Å
343	T	98.4	Very high	98.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-81.1	-12.9	170.6	60.2	0	0	0	0	112	Y318 D336 T339 K340 S345 S412	Y318-T343 WeakPolarHBondContact CD1-O 3.34Å; D336-T343 PolarHBondContact OD1-OG1 2.63Å; T339-T343 PolarHBondContact O-N 2.86Å; T339-T343 PolarHBondContact O-OG1 2.78Å; T339-T343 WeakPolarHBondContact OG1-CG2 3.29Å; K340-T343 WeakPolarHBondContact CA-OG1 3.46Å; T343-S345 PolarHBondContact O-N 3.03Å; T343-S345 WeakPolarHBondContact OG1-CB 3.49Å; T343-S345 PolarHBondContact OG1-N 3Å; T343-S345 PolarHBondContact OG1-OG 3.31Å; T343-S412 WeakPolarHBondContact CG2-OG 3.38Å
344	F	98.7	Very high	98.4	Very high	50 Å²	50	45.5 Å²	45.5	22%	0.219	24%	0.235	C	C	.	.	S	Bend	trans	61.4	11.6	-169.6	-62.3	-88	0	0	0	115	R315 L316 G319 K340 S342 I346 K347	R315-F344 HydrophobicContact CB-CD2 4.42Å; R315-F344 HydrophobicContact CG-CD2 3.87Å; R315-F344 HydrophobicContact CG-CE2 3.87Å; L316-F344 HydrophobicContact CB-CD2 3.91Å; L316-F344 HydrophobicContact CB-CE2 3.94Å; L316-F344 HydrophobicContact CB-CG 4.24Å; L316-F344 HydrophobicContact CB-CZ 4.31Å; L316-F344 HydrophobicContact CD1-CB 4.38Å; L316-F344 HydrophobicContact CD1-CD1 3.51Å; L316-F344 HydrophobicContact CD1-CD2 4.29Å; L316-F344 HydrophobicContact CD1-CE1 3.71Å; L316-F344 HydrophobicContact CD1-CE2 4.46Å; L316-F344 HydrophobicContact CD1-CG 3.81Å; L316-F344 HydrophobicContact CD1-CZ 4.18Å; G319-F344 WeakPolarHBondContact CA-O 3.07Å; K340-F344 CarbonylContact O-C 3.55Å; K340-F344 WeakPolarHBondContact O-CA 3.35Å; K340-F344 PolarHBondContact O-N 3.01Å; S342-F344 VanDerWaalsContact C-N 3.29Å; F344-I346 PolarHBondContact O-N 3.14Å; F344-I346 VanDerWaalsContact O-N 3.08Å; F344-K347 WeakPolarHBondContact O-CB 3.3Å; F344-K347 PolarHBondContact O-N 3.01Å
345	S	98.7	Very high	98.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22	169.5	73.3	0	0	0	0	111.7	D336 K340 T343 K347 L348 F356 S384	D336-S345 PolarHBondContact OD1-OG 3.08Å; K340-S345 VanDerWaalsContact CA-OG 3.23Å; K340-S345 WeakPolarHBondContact CA-OG 3.16Å; K340-S345 VanDerWaalsContact CB-OG 3.24Å; K340-S345 WeakPolarHBondContact CB-OG 3.33Å; K340-S345 PolarHBondContact O-N 3.36Å; T343-S345 PolarHBondContact O-N 3.03Å; T343-S345 WeakPolarHBondContact OG1-CB 3.49Å; T343-S345 PolarHBondContact OG1-N 3Å; T343-S345 PolarHBondContact OG1-OG 3.31Å; S345-K347 PolarHBondContact O-N 3.02Å; S345-L348 WeakPolarHBondContact O-CB 3.32Å; S345-L348 PolarHBondContact O-N 3.41Å; S345-F356 WeakPolarHBondContact O-CE2 3.43Å; S345-S384 WeakPolarHBondContact CB-OG 3.29Å
346	I	98.7	Very high	98.3	Very high	34 Å²	34	46.8 Å²	46.8	17%	0.174	24%	0.241	C	C	.	.	H	α-helix	trans	-50.4	-29.5	171.3	-155.4	171.7	0	0	0	113.5	K340 N341 F344 L348 R349 D350	K340-I346 HydrophobicContact CB-CB 3.96Å; K340-I346 HydrophobicContact CB-CG1 4.46Å; K340-I346 HydrophobicContact CG-CB 4.23Å; K340-I346 HydrophobicContact CG-CD1 4.31Å; K340-I346 HydrophobicContact CG-CG1 4.23Å; K340-I346 VanDerWaalsContact O-CB 3.31Å; K340-I346 WeakPolarHBondContact O-CB 3.37Å; K340-I346 WeakPolarHBondContact O-CG2 3.24Å; K340-I346 PolarHBondContact O-N 2.96Å; N341-I346 HydrophobicContact CB-CD1 4.38Å; F344-I346 PolarHBondContact O-N 3.14Å; F344-I346 VanDerWaalsContact O-N 3.08Å; I346-L348 VanDerWaalsContact C-N 3.27Å; I346-L348 PolarHBondContact O-N 3.45Å; I346-R349 WeakPolarHBondContact O-CB 3.23Å; I346-R349 PolarHBondContact O-N 3.16Å; I346-R349 VanDerWaalsContact O-N 3.16Å; I346-D350 WeakPolarHBondContact O-CB 3.27Å; I346-D350 PolarHBondContact O-N 3.36Å
347	K	98.8	Very high	98.3	Very high	74 Å²	74	46.9 Å²	46.9	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-32.1	176.2	-73.1	179.6	170.4	-70.3	0	112.8	L316 G319 S323 F344 S345 V351	L316-K347 HydrophobicContact CD1-CD 4.41Å; G319-K347 WeakPolarHBondContact O-CB 3.18Å; S323-K347 PolarHBondContact OG-O 3.46Å; S323-K347 VanDerWaalsContact OG-O 3.07Å; F344-K347 WeakPolarHBondContact O-CB 3.3Å; F344-K347 PolarHBondContact O-N 3.01Å; S345-K347 PolarHBondContact O-N 3.02Å; K347-V351 WeakPolarHBondContact O-CG2 3.32Å
348	L	98.8	Very high	98.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-71.5	-48.6	171.6	175.1	63.7	0	0	0	110.1	L322 G334 S345 I346 D350 V351 K352 Q355 F356	L322-L348 HydrophobicContact CD1-CD2 4.19Å; L322-L348 HydrophobicContact CD2-CB 4.09Å; L322-L348 HydrophobicContact CD2-CD2 4.02Å; L322-L348 HydrophobicContact CG-CB 4.08Å; L322-L348 HydrophobicContact CG-CD2 3.87Å; G334-L348 VanDerWaalsContact N-CD2 3.33Å; S345-L348 WeakPolarHBondContact O-CB 3.32Å; S345-L348 PolarHBondContact O-N 3.41Å; I346-L348 VanDerWaalsContact C-N 3.27Å; I346-L348 PolarHBondContact O-N 3.45Å; L348-D350 VanDerWaalsContact C-N 3.26Å; L348-D350 PolarHBondContact O-N 3.01Å; L348-V351 WeakPolarHBondContact O-CG2 3.27Å; L348-V351 PolarHBondContact O-N 3.16Å; L348-K352 HydrophobicContact CD1-CB 4.01Å; L348-K352 CarbonylContact O-C 3.11Å; L348-K352 WeakPolarHBondContact O-CA 3.48Å; L348-K352 PolarHBondContact O-N 3.33Å; L348-Q355 HydrophobicContact CD1-CB 4.46Å; L348-F356 HydrophobicContact CB-CD2 4.38Å; L348-F356 HydrophobicContact CD2-CD2 4.37Å; L348-F356 HydrophobicContact CG-CD2 4.43Å
349	R	98.5	Very high	98.4	Very high	83 Å²	83	44.3 Å²	44.3	31%	0.313	23%	0.227	S	C	.	.	H	α-helix	trans	-52.3	-45.5	178.2	-174.8	-158.7	68.2	179.8	3.7	112.2	I346 V351 K352 P353 F356	I346-R349 WeakPolarHBondContact O-CB 3.23Å; I346-R349 PolarHBondContact O-N 3.16Å; I346-R349 VanDerWaalsContact O-N 3.16Å; R349-V351 VanDerWaalsContact C-N 3.34Å; R349-V351 PolarHBondContact O-N 2.95Å; R349-K352 CarbonylContact O-C 3.52Å; R349-P353 VanDerWaalsContact O-CA 3.24Å; R349-P353 WeakPolarHBondContact O-CA 3.38Å; R349-P353 WeakPolarHBondContact O-CD 3.5Å; R349-P353 VanDerWaalsContact O-N 3.11Å; R349-F356 HydrophobicContact CB-CB 3.98Å; R349-F356 HydrophobicContact CB-CD1 3.86Å; R349-F356 HydrophobicContact CB-CD2 3.71Å; R349-F356 HydrophobicContact CB-CE1 4.24Å; R349-F356 HydrophobicContact CB-CE2 4.09Å; R349-F356 HydrophobicContact CB-CG 3.56Å; R349-F356 HydrophobicContact CB-CZ 4.33Å; R349-F356 HydrophobicContact CG-CB 4.15Å; R349-F356 HydrophobicContact CG-CD1 3.84Å; R349-F356 HydrophobicContact CG-CE1 4.37Å; R349-F356 HydrophobicContact CG-CG 3.93Å
350	D	98.6	Very high	98.4	Very high	99 Å²	99	48.1 Å²	48.1	53%	0.529	24%	0.243	S	C	.	.	H	α-helix	trans	-69.1	-31.9	-174.4	-67	-12.2	0	0	0	112.6	I346 L348	I346-D350 WeakPolarHBondContact O-CB 3.27Å; I346-D350 PolarHBondContact O-N 3.36Å; L348-D350 VanDerWaalsContact C-N 3.26Å; L348-D350 PolarHBondContact O-N 3.01Å
351	V	98.3	Very high	98.3	Very high	69 Å²	69	52.3 Å²	52.3	42%	0.418	27%	0.265	S	S	.	.	H	α-helix	trans	-92.9	-29.2	179.3	-56.9	0	0	0	0	113.4	S323 Q327 K347 L348 R349	S323-V351 VanDerWaalsContact OG-CG2 3.27Å; S323-V351 WeakPolarHBondContact OG-CG2 3.36Å; Q327-V351 HydrophobicContact CG-CG2 4.15Å; K347-V351 WeakPolarHBondContact O-CG2 3.32Å; L348-V351 WeakPolarHBondContact O-CG2 3.27Å; L348-V351 PolarHBondContact O-N 3.16Å; R349-V351 VanDerWaalsContact C-N 3.34Å; R349-V351 PolarHBondContact O-N 2.95Å
352	K	98.1	Very high	98.3	Very high	82 Å²	82	48.2 Å²	48.2	36%	0.357	25%	0.246	S	C	.	.			trans	-144.4	71.7	-174	-69.5	-66.7	-165.8	165.5	0	109.9	Q327 L348 R349 D354 Q355	Q327-K352 HydrophobicContact CG-CG 4.45Å; L348-K352 HydrophobicContact CD1-CB 4.01Å; L348-K352 CarbonylContact O-C 3.11Å; L348-K352 WeakPolarHBondContact O-CA 3.48Å; L348-K352 PolarHBondContact O-N 3.33Å; R349-K352 CarbonylContact O-C 3.52Å; K352-D354 PolarHBondContact O-N 2.89Å; K352-Q355 HydrophobicContact CB-CB 4.09Å; K352-Q355 HydrophobicContact CB-CG 4.24Å; K352-Q355 VanDerWaalsContact CG-OE1 3.23Å; K352-Q355 PolarHBondContact O-N 2.66Å
353	P	97.8	Very high	98.4	Very high	80 Å²	80	47 Å²	47	52%	0.519	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-60.2	-32.4	-176.9	23	-33.6	0	0	0	113.2	R349 Q355 F356	R349-P353 VanDerWaalsContact O-CA 3.24Å; R349-P353 WeakPolarHBondContact O-CA 3.38Å; R349-P353 WeakPolarHBondContact O-CD 3.5Å; R349-P353 VanDerWaalsContact O-N 3.11Å; P353-Q355 PolarHBondContact O-N 2.89Å; P353-F356 PolarHBondContact O-N 2.84Å; P353-F356 VanDerWaalsContact O-N 3.12Å
354	D	97.8	Very high	98.4	Very high	142 Å²	142	49.4 Å²	49.4	76%	0.759	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-68.7	-13.5	177.7	-62.4	-26.3	0	0	0	113.7	K352	K352-D354 PolarHBondContact O-N 2.89Å
355	Q	98.4	Very high	98.4	Very high	12 Å²	12	47.1 Å²	47.1	6%	0.056	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-99.7	12.1	175.4	-67.7	174.1	-113.5	0	0	112.1	G326 C329 V332 I333 G334 L348 K352 P353	G326-Q355 PolarHBondContact O-NE2 3.27Å; G326-Q355 PolarHBondContact O-OE1 2.98Å; C329-Q355 PolarHBondContact O-NE2 3.24Å; V332-Q355 PolarHBondContact O-NE2 3.34Å; I333-Q355 CarbonylContact C-O 3.52Å; I333-Q355 VanDerWaalsContact CA-O 3.23Å; I333-Q355 WeakPolarHBondContact CA-O 3.34Å; I333-Q355 WeakPolarHBondContact CB-O 3.41Å; I333-Q355 HydrophobicContact CG2-CB 4.48Å; G334-Q355 PolarHBondContact N-O 2.88Å; L348-Q355 HydrophobicContact CD1-CB 4.46Å; K352-Q355 HydrophobicContact CB-CB 4.09Å; K352-Q355 HydrophobicContact CB-CG 4.24Å; K352-Q355 VanDerWaalsContact CG-OE1 3.23Å; K352-Q355 PolarHBondContact O-N 2.66Å; P353-Q355 PolarHBondContact O-N 2.89Å
356	F	98.8	Very high	98.4	Very high	15 Å²	15	47.1 Å²	47.1	7%	0.066	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.9	-175	-161.3	-88.4	0	0	0	112.1	G334 D336 K340 S345 L348 R349 P353	G334-F356 CarbonylContact O-C 3.47Å; G334-F356 WeakPolarHBondContact O-CA 3.46Å; D336-F356 HydrophobicContact CB-CE1 3.83Å; D336-F356 HydrophobicContact CB-CE2 4.39Å; D336-F356 HydrophobicContact CB-CZ 3.44Å; D336-F356 VanDerWaalsContact CB-CZ 3.44Å; K340-F356 HydrophobicContact CB-CZ 3.88Å; K340-F356 HydrophobicContact CD-CE1 4.01Å; K340-F356 HydrophobicContact CD-CZ 4.16Å; S345-F356 WeakPolarHBondContact O-CE2 3.43Å; L348-F356 HydrophobicContact CB-CD2 4.38Å; L348-F356 HydrophobicContact CD2-CD2 4.37Å; L348-F356 HydrophobicContact CG-CD2 4.43Å; R349-F356 HydrophobicContact CB-CB 3.98Å; R349-F356 HydrophobicContact CB-CD1 3.86Å; R349-F356 HydrophobicContact CB-CD2 3.71Å; R349-F356 HydrophobicContact CB-CE1 4.24Å; R349-F356 HydrophobicContact CB-CE2 4.09Å; R349-F356 HydrophobicContact CB-CG 3.56Å; R349-F356 HydrophobicContact CB-CZ 4.33Å; R349-F356 HydrophobicContact CG-CB 4.15Å; R349-F356 HydrophobicContact CG-CD1 3.84Å; R349-F356 HydrophobicContact CG-CE1 4.37Å; R349-F356 HydrophobicContact CG-CG 3.93Å; P353-F356 PolarHBondContact O-N 2.84Å; P353-F356 VanDerWaalsContact O-N 3.12Å
357	V	98.7	Very high	98.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.2	-179.2	-165.6	0	0	0	0	109	Y129 F161 Y165 G334 L335 D336	Y129-V357 HydrophobicContact CD1-CG2 4.14Å; Y129-V357 HydrophobicContact CD2-CG1 4.36Å; Y129-V357 HydrophobicContact CE1-CG2 3.47Å; Y129-V357 VanDerWaalsContact CE1-CG2 3.47Å; Y129-V357 HydrophobicContact CE2-CG1 4.03Å; Y129-V357 HydrophobicContact CE2-CG2 4.29Å; F161-V357 HydrophobicContact CE2-CG1 3.81Å; F161-V357 HydrophobicContact CZ-CG1 3.85Å; Y165-V357 HydrophobicContact CE2-CG1 4.09Å; G334-V357 PolarHBondContact O-N 2.81Å; L335-V357 VanDerWaalsContact CA-O 3.26Å; L335-V357 WeakPolarHBondContact CA-O 3.36Å; L335-V357 HydrophobicContact CD2-CB 4.12Å; L335-V357 HydrophobicContact CD2-CG1 4.44Å; L335-V357 HydrophobicContact CD2-CG2 4.41Å; L335-V357 HydrophobicContact CG-CB 4.02Å; L335-V357 HydrophobicContact CG-CG2 4.28Å; D336-V357 PolarHBondContact N-O 2.8Å
358	E	98.6	Very high	98.4	Very high	19 Å²	19	42 Å²	42	9%	0.089	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.3	173.6	-179.9	61	-108.6	0	0	108.8	Y165 D336 D338 K340 F360	Y165-E358 WeakPolarHBondContact CE2-O 3.17Å; Y165-E358 PolarHBondContact OH-N 3.2Å; Y165-E358 PolarHBondContact OH-O 2.82Å; Y165-E358 VanDerWaalsContact OH-O 3.09Å; D336-E358 VanDerWaalsContact O-OE1 3.12Å; D338-E358 PolarHBondContact N-OE1 3.26Å; K340-E358 WeakPolarHBondContact CE-OE2 3.32Å; K340-E358 IonicContact NZ-OE2 3.6Å; K340-E358 PolarHBondContact NZ-OE2 3.44Å; E358-F360 HydrophobicContact CG-CD1 3.78Å; E358-F360 HydrophobicContact CG-CD2 4.08Å; E358-F360 HydrophobicContact CG-CE1 3.68Å; E358-F360 HydrophobicContact CG-CE2 3.99Å; E358-F360 HydrophobicContact CG-CG 3.99Å; E358-F360 HydrophobicContact CG-CZ 3.79Å; E358-F360 WeakPolarHBondContact OE1-CA 3.38Å; E358-F360 PolarHBondContact OE1-N 3.14Å
359	C	98.6	Very high	98.4	Very high	3 Å²	3	42 Å²	42	2%	0.02	22%	0.215	C	C	.	.			trans	-101.4	-0.7	175.9	-64.1	0	0	0	0	112.4	D336 L366	D336-C359 WeakPolarHBondContact O-CA 3.29Å; D336-C359 WeakPolarHBondContact O-CB 3.46Å; D336-C359 PolarHBondContact O-N 3.1Å; C359-L366 HydrophobicContact CB-CB 3.71Å; C359-L366 HydrophobicContact CB-CD1 3.75Å; C359-L366 HydrophobicContact CB-CG 4.26Å
360	F	97.7	Very high	98.4	Very high	88 Å²	88	38 Å²	38	39%	0.386	20%	0.2	S	C	.	.			trans	56.9	-164.5	-177.9	-55.5	-82.2	0	0	0	112	F164 G337 E358 A362	F164-F360 HydrophobicContact CD1-CE2 4.03Å; F164-F360 HydrophobicContact CD2-CE2 4.33Å; F164-F360 HydrophobicContact CD2-CZ 4.47Å; F164-F360 AromaticContact CE1-CE2 3.87Å; F164-F360 HydrophobicContact CE1-CE2 3.87Å; F164-F360 AromaticContact CE1-CZ 3.98Å; F164-F360 HydrophobicContact CE1-CZ 3.98Å; F164-F360 HydrophobicContact CE2-CE2 4.19Å; F164-F360 AromaticContact CE2-CZ 3.91Å; F164-F360 HydrophobicContact CE2-CZ 3.91Å; F164-F360 HydrophobicContact CG-CE2 4.26Å; F164-F360 AromaticContact CZ-CE2 3.96Å; F164-F360 HydrophobicContact CZ-CE2 3.96Å; F164-F360 AromaticContact CZ-CZ 3.64Å; F164-F360 HydrophobicContact CZ-CZ 3.64Å; G337-F360 CarbonylContact C-O 3.56Å; G337-F360 VanDerWaalsContact C-O 3.23Å; G337-F360 WeakPolarHBondContact CA-O 3.47Å; E358-F360 HydrophobicContact CG-CD1 3.78Å; E358-F360 HydrophobicContact CG-CD2 4.08Å; E358-F360 HydrophobicContact CG-CE1 3.68Å; E358-F360 HydrophobicContact CG-CE2 3.99Å; E358-F360 HydrophobicContact CG-CG 3.99Å; E358-F360 HydrophobicContact CG-CZ 3.79Å; E358-F360 WeakPolarHBondContact OE1-CA 3.38Å; E358-F360 PolarHBondContact OE1-N 3.14Å; F360-A362 PolarHBondContact O-N 2.64Å
361	I	97.2	Very high	98.4	Very high	117 Å²	117	33.3 Å²	33.3	60%	0.6	18%	0.175	S	C	*	.	S	Bend	trans	-78.5	52.9	-175	-46.6	173.4	0	0	0	111	D338	D338-I361 HydrophobicContact CB-CG1 3.91Å
362	A	98.1	Very high	98.5	Very high	17 Å²	17	30 Å²	30	14%	0.14	16%	0.155	C	C	.	.			trans	-133.6	72.7	-179.7	0	0	0	0	0	109.9	E157 F360 Q364 N365 L366	E157-A362 HydrophobicContact CB-CB 4.32Å; E157-A362 HydrophobicContact CG-CB 4.24Å; F360-A362 PolarHBondContact O-N 2.64Å; A362-Q364 VanDerWaalsContact C-N 3.29Å; A362-Q364 PolarHBondContact O-N 2.99Å; A362-N365 HydrophobicContact CB-CB 4.07Å; A362-N365 PolarHBondContact O-N 2.83Å; A362-N365 VanDerWaalsContact O-N 3.17Å; A362-L366 WeakPolarHBondContact O-CB 3.32Å; A362-L366 PolarHBondContact O-N 2.91Å
363	E	98.6	Very high	98.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-65.1	-29.2	-171.7	-68.6	80.5	173.7	0	0	113.4	V367 T385 F389 R392 S393	E363-V367 WeakPolarHBondContact O-CG2 3.35Å; E363-V367 PolarHBondContact O-N 3.04Å; E363-V367 VanDerWaalsContact O-N 3.08Å; E363-T385 HydrophobicContact CG-CG2 4.27Å; E363-F389 HydrophobicContact CG-CB 3.99Å; E363-F389 WeakPolarHBondContact OE1-CB 3.44Å; E363-F389 WeakPolarHBondContact OE1-CD2 3.35Å; E363-R392 HydrophobicContact CB-CG 3.86Å; E363-R392 IonicContact OE1-NH1 3.31Å; E363-R392 VanDerWaalsContact OE2-CD 3.26Å; E363-R392 WeakPolarHBondContact OE2-CD 3.19Å; E363-R392 IonicContact OE2-CZ 3.76Å; E363-R392 IonicContact OE2-NE 3.93Å; E363-R392 PolarHBondContact OE2-NE 2.9Å; E363-R392 IonicContact OE2-NH1 2.84Å; E363-R392 PolarHBondContact OE2-NH1 3.33Å; E363-S393 WeakPolarHBondContact O-CB 3.42Å
364	Q	98.6	Very high	98.5	Very high	51 Å²	51	22.6 Å²	22.6	24%	0.238	12%	0.116	C	C	.	.	H	α-helix	trans	-64	-50.1	173	-70	-175.8	-8.4	0	0	110.3	A362 V367 G368 R392	A362-Q364 VanDerWaalsContact C-N 3.29Å; A362-Q364 PolarHBondContact O-N 2.99Å; Q364-V367 PolarHBondContact O-N 3.14Å; Q364-G368 PolarHBondContact O-N 2.86Å; Q364-R392 HydrophobicContact CG-CG 4.4Å; Q364-R392 WeakPolarHBondContact CG-O 3.49Å; Q364-R392 PolarHBondContact NE2-O 3.23Å
365	N	98.8	Very high	98.4	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.011	8%	0.083	C	C	.	.	H	α-helix	trans	-61.9	-43.6	174	-177.4	60.8	0	0	0	112.8	S122 E157 A158 F161 A362 V367 G368 V369	S122-N365 WeakPolarHBondContact CB-OD1 3.2Å; S122-N365 PolarHBondContact OG-OD1 2.91Å; E157-N365 HydrophobicContact CB-CB 3.81Å; E157-N365 PolarHBondContact OE2-N 2.82Å; A158-N365 VanDerWaalsContact CA-OD1 3.28Å; A158-N365 WeakPolarHBondContact CA-OD1 3.49Å; A158-N365 WeakPolarHBondContact CB-OD1 3.26Å; F161-N365 WeakPolarHBondContact CB-ND2 3.36Å; A362-N365 HydrophobicContact CB-CB 4.07Å; A362-N365 PolarHBondContact O-N 2.83Å; A362-N365 VanDerWaalsContact O-N 3.17Å; N365-V367 VanDerWaalsContact C-N 3.34Å; N365-V367 PolarHBondContact O-N 3.29Å; N365-G368 PolarHBondContact O-N 3.23Å; N365-V369 WeakPolarHBondContact O-CB 3.38Å; N365-V369 VanDerWaalsContact O-CG2 3.27Å; N365-V369 WeakPolarHBondContact O-CG2 3.31Å; N365-V369 PolarHBondContact O-N 3.33Å
366	L	98.9	Very high	98.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-51.7	-50.1	176.3	168.4	59.7	0	0	0	112	L335 C359 A362 A370 V383	L335-L366 HydrophobicContact CB-CD1 3.41Å; L335-L366 VanDerWaalsContact CB-CD1 3.41Å; C359-L366 HydrophobicContact CB-CB 3.71Å; C359-L366 HydrophobicContact CB-CD1 3.75Å; C359-L366 HydrophobicContact CB-CG 4.26Å; A362-L366 WeakPolarHBondContact O-CB 3.32Å; A362-L366 PolarHBondContact O-N 2.91Å; L366-A370 WeakPolarHBondContact O-CB 3.38Å; L366-A370 PolarHBondContact O-N 2.66Å; L366-V383 HydrophobicContact CD1-CG1 4.1Å; L366-V383 HydrophobicContact CD2-CG1 3.7Å; L366-V383 HydrophobicContact CG-CG1 3.71Å
367	V	98.9	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.4	-43.6	179.2	176	0	0	0	0	111.1	E363 Q364 N365 V369 A370 I371 L390 S393 Q396 I397 F409	E363-V367 WeakPolarHBondContact O-CG2 3.35Å; E363-V367 PolarHBondContact O-N 3.04Å; E363-V367 VanDerWaalsContact O-N 3.08Å; Q364-V367 PolarHBondContact O-N 3.14Å; N365-V367 VanDerWaalsContact C-N 3.34Å; N365-V367 PolarHBondContact O-N 3.29Å; V367-V369 PolarHBondContact O-N 3.06Å; V367-A370 PolarHBondContact O-N 2.71Å; V367-I371 HydrophobicContact CG1-CD1 3.88Å; V367-I371 HydrophobicContact CG1-CG1 4.46Å; V367-I371 WeakPolarHBondContact O-CG1 3.33Å; V367-I371 PolarHBondContact O-N 3.02Å; V367-L390 HydrophobicContact CG2-CD2 4.43Å; V367-S393 WeakPolarHBondContact CG2-OG 3.4Å; V367-Q396 HydrophobicContact CB-CB 3.89Å; V367-Q396 HydrophobicContact CG1-CB 3.52Å; V367-I397 HydrophobicContact CG1-CG1 4.01Å; V367-I397 HydrophobicContact CG2-CG1 4.4Å; V367-F409 HydrophobicContact CB-CE1 4.4Å; V367-F409 HydrophobicContact CG1-CE1 3.84Å; V367-F409 HydrophobicContact CG1-CZ 4.1Å; V367-F409 HydrophobicContact CG2-CE1 3.87Å
368	G	98.8	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.8	-46.3	177.5	0	0	0	0	0	112.6	I123 Q364 N365 A370 I371 G372	I123-G368 VanDerWaalsContact CA-O 3.31Å; I123-G368 WeakPolarHBondContact CA-O 3.46Å; I123-G368 WeakPolarHBondContact CG1-O 3.48Å; Q364-G368 PolarHBondContact O-N 2.86Å; N365-G368 PolarHBondContact O-N 3.23Å; G368-A370 PolarHBondContact O-N 2.91Å; G368-I371 PolarHBondContact O-N 3.08Å; G368-G372 PolarHBondContact O-N 2.8Å
369	V	98.9	Very high	97.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.5	-45	175.3	170.5	0	0	0	0	110.7	S122 A125 G126 F161 L335 N365 V367 I371 G372 C373	S122-V369 WeakPolarHBondContact O-CA 3.5Å; S122-V369 WeakPolarHBondContact O-CG2 3.43Å; S122-V369 PolarHBondContact O-N 3.08Å; A125-V369 HydrophobicContact CB-CG2 4.37Å; G126-V369 WeakPolarHBondContact CA-O 3.39Å; F161-V369 HydrophobicContact CD1-CG2 4.05Å; F161-V369 HydrophobicContact CE1-CG1 4.09Å; F161-V369 HydrophobicContact CE1-CG2 3.85Å; F161-V369 HydrophobicContact CE2-CG1 4.24Å; F161-V369 HydrophobicContact CE2-CG2 4.32Å; F161-V369 HydrophobicContact CG-CG2 4.39Å; F161-V369 HydrophobicContact CZ-CG1 3.66Å; F161-V369 HydrophobicContact CZ-CG2 4.01Å; L335-V369 HydrophobicContact CD2-CB 4.43Å; L335-V369 HydrophobicContact CD2-CG1 3.7Å; N365-V369 WeakPolarHBondContact O-CB 3.38Å; N365-V369 VanDerWaalsContact O-CG2 3.27Å; N365-V369 WeakPolarHBondContact O-CG2 3.31Å; N365-V369 PolarHBondContact O-N 3.33Å; V367-V369 PolarHBondContact O-N 3.06Å; V369-I371 VanDerWaalsContact C-N 3.34Å; V369-I371 PolarHBondContact O-N 2.96Å; V369-G372 CarbonylContact O-C 3.58Å; V369-G372 WeakPolarHBondContact O-CA 3.35Å; V369-G372 PolarHBondContact O-N 3.16Å; V369-G372 VanDerWaalsContact O-N 3.11Å; V369-C373 PolarHBondContact O-N 3.05Å; V369-C373 PolarHBondContact O-SG 3.42Å
370	A	98.9	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-40.7	178.3	0	0	0	0	0	112.8	L335 L366 V367 G368 G372 C373 A374 P381 V383	L335-A370 HydrophobicContact CD1-CB 3.99Å; L335-A370 HydrophobicContact CD2-CB 4.01Å; L366-A370 WeakPolarHBondContact O-CB 3.38Å; L366-A370 PolarHBondContact O-N 2.66Å; V367-A370 PolarHBondContact O-N 2.71Å; G368-A370 PolarHBondContact O-N 2.91Å; A370-G372 VanDerWaalsContact C-N 3.33Å; A370-C373 PolarHBondContact O-N 3.31Å; A370-A374 PolarHBondContact O-N 2.98Å; A370-P381 HydrophobicContact CB-CB 4.41Å; A370-V383 HydrophobicContact CB-CG2 3.24Å
371	I	98.8	Very high	97.9	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-45.1	173	-67.7	164.6	0	0	0	110.1	V112 I123 V367 G368 V369 C373 A374 T375 Q396 T405	V112-I371 HydrophobicContact CG1-CG2 4.06Å; I123-I371 HydrophobicContact CD1-CG2 4.43Å; I123-I371 HydrophobicContact CG1-CB 4.45Å; I123-I371 HydrophobicContact CG1-CG2 4.28Å; V367-I371 HydrophobicContact CG1-CD1 3.88Å; V367-I371 HydrophobicContact CG1-CG1 4.46Å; V367-I371 WeakPolarHBondContact O-CG1 3.33Å; V367-I371 PolarHBondContact O-N 3.02Å; G368-I371 PolarHBondContact O-N 3.08Å; V369-I371 VanDerWaalsContact C-N 3.34Å; V369-I371 PolarHBondContact O-N 2.96Å; I371-C373 VanDerWaalsContact C-N 3.31Å; I371-C373 PolarHBondContact O-N 3.18Å; I371-A374 WeakPolarHBondContact O-CB 3.46Å; I371-A374 PolarHBondContact O-N 3.28Å; I371-A374 VanDerWaalsContact O-N 3.15Å; I371-T375 VanDerWaalsContact O-CG2 3.26Å; I371-T375 WeakPolarHBondContact O-CG2 3.43Å; I371-T375 PolarHBondContact O-N 2.91Å; I371-Q396 VanDerWaalsContact CD1-O 3.28Å; I371-Q396 WeakPolarHBondContact CD1-O 3.49Å; I371-T405 HydrophobicContact CG1-CG2 4.19Å
372	G	98.7	Very high	98	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-52.9	-46.8	172.3	0	0	0	0	0	112.9	I123 G368 V369 A370 A374 T375	I123-G372 WeakPolarHBondContact O-CA 3.25Å; G368-G372 PolarHBondContact O-N 2.8Å; V369-G372 CarbonylContact O-C 3.58Å; V369-G372 WeakPolarHBondContact O-CA 3.35Å; V369-G372 PolarHBondContact O-N 3.16Å; V369-G372 VanDerWaalsContact O-N 3.11Å; A370-G372 VanDerWaalsContact C-N 3.33Å; G372-A374 VanDerWaalsContact C-N 3.31Å; G372-A374 PolarHBondContact O-N 2.92Å; G372-T375 WeakPolarHBondContact O-CB 3.34Å; G372-T375 WeakPolarHBondContact O-CG2 3.28Å; G372-T375 PolarHBondContact O-N 3.01Å; G372-T375 PolarHBondContact O-OG1 3.34Å
373	C	98.7	Very high	98	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.4	-32.1	178.8	-66.1	0	0	0	0	113.5	V130 I333 V369 A370 I371 T375 T379	V130-C373 HydrophobicContact CG2-CB 3.79Å; I333-C373 HydrophobicContact CD1-CB 3.74Å; V369-C373 PolarHBondContact O-N 3.05Å; V369-C373 PolarHBondContact O-SG 3.42Å; A370-C373 PolarHBondContact O-N 3.31Å; I371-C373 VanDerWaalsContact C-N 3.31Å; I371-C373 PolarHBondContact O-N 3.18Å; C373-T375 VanDerWaalsContact C-N 3.32Å; C373-T379 PolarHBondContact O-OG1 3.04Å
374	A	97.9	Very high	98.1	Very high	6 Å²	6	7.4 Å²	7.4	5%	0.05	4%	0.043	C	C	.	.	H	α-helix	trans	-74.6	-21.1	179.1	0	0	0	0	0	113.2	A370 I371 G372 G377 P381 T405	A370-A374 PolarHBondContact O-N 2.98Å; I371-A374 WeakPolarHBondContact O-CB 3.46Å; I371-A374 PolarHBondContact O-N 3.28Å; I371-A374 VanDerWaalsContact O-N 3.15Å; G372-A374 VanDerWaalsContact C-N 3.31Å; G372-A374 PolarHBondContact O-N 2.92Å; A374-G377 PolarHBondContact O-N 2.91Å; A374-G377 VanDerWaalsContact O-N 3.08Å; A374-P381 HydrophobicContact CB-CG 3.83Å; A374-T405 WeakPolarHBondContact CB-OG1 3.31Å
375	T	96.9	Very high	98.1	Very high	13 Å²	13	5 Å²	5	8%	0.08	3%	0.032	C	C	.	.	G	3₁₀ helix	trans	-56.4	146.9	-174.3	63.6	0	0	0	0	112.1	D111 V112 M127 I371 G372 C373 G377 R378	D111-T375 HydrophobicContact CB-CG2 4.43Å; V112-T375 HydrophobicContact CG1-CG2 3.61Å; M127-T375 HydrophobicContact CE-CG2 3.48Å; M127-T375 VanDerWaalsContact CE-CG2 3.48Å; M127-T375 HydrophobicContact CG-CG2 4.48Å; M127-T375 WeakPolarHBondContact CG-OG1 3.43Å; I371-T375 VanDerWaalsContact O-CG2 3.26Å; I371-T375 WeakPolarHBondContact O-CG2 3.43Å; I371-T375 PolarHBondContact O-N 2.91Å; G372-T375 WeakPolarHBondContact O-CB 3.34Å; G372-T375 WeakPolarHBondContact O-CG2 3.28Å; G372-T375 PolarHBondContact O-N 3.01Å; G372-T375 PolarHBondContact O-OG1 3.34Å; C373-T375 VanDerWaalsContact C-N 3.32Å; T375-G377 PolarHBondContact O-N 3.1Å; T375-R378 WeakPolarHBondContact O-CG 3.43Å; T375-R378 PolarHBondContact O-N 3.21Å
376	R	94.1	Very high	98	Very high	35 Å²	35	6 Å²	6	13%	0.132	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	51.1	21.5	-174	-53.8	-168.9	-173.2	-166.3	0.1	115	P55 N57 D111 R378	P55-R376 PolarHBondContact O-NH1 2.96Å; N57-R376 PolarHBondContact O-NH1 3.09Å; D111-R376 VanDerWaalsContact CG-NE 3.33Å; D111-R376 VanDerWaalsContact OD1-CG 3.23Å; D111-R376 WeakPolarHBondContact OD1-CG 3.27Å; D111-R376 IonicContact OD1-CZ 2.85Å; D111-R376 IonicContact OD1-NE 3.75Å; D111-R376 PolarHBondContact OD1-NE 3.42Å; D111-R376 IonicContact OD1-NH2 3.89Å; D111-R376 PolarHBondContact OD1-NH2 3.39Å; D111-R376 IonicContact OD2-CZ 3.11Å; D111-R376 IonicContact OD2-NE 2.54Å; D111-R376 PolarHBondContact OD2-NE 3.3Å; D111-R376 VanDerWaalsContact OD2-NE 3.15Å; D111-R376 IonicContact OD2-NH2 2.69Å; D111-R376 PolarHBondContact OD2-NH2 3.48Å; R376-R378 VanDerWaalsContact C-N 3.26Å; R376-R378 HydrophobicContact CB-CG 4.33Å; R376-R378 PolarHBondContact O-N 2.86Å
377	G	94.2	Very high	98	Very high	29 Å²	29	6 Å²	6	30%	0.299	4%	0.036	S	C	.	.	G	3₁₀ helix	trans	63.2	29.4	178.1	0	0	0	0	0	113.8	L294 A374 T375	L294-G377 WeakPolarHBondContact CD1-O 3.24Å; A374-G377 PolarHBondContact O-N 2.91Å; A374-G377 VanDerWaalsContact O-N 3.08Å; T375-G377 PolarHBondContact O-N 3.1Å
378	R	96.1	Very high	98	Very high	7 Å²	7	6.6 Å²	6.6	3%	0.026	4%	0.041	C	C	.	.			trans	-73.4	-29.1	-176.6	-60.1	-47	-61.9	164.1	2.7	113.8	V130 D135 C289 S290 R331 T375 R376	V130-R378 HydrophobicContact CG1-CB 3.7Å; V130-R378 HydrophobicContact CG1-CG 4.1Å; D135-R378 IonicContact OD1-CZ 2.84Å; D135-R378 IonicContact OD1-NE 3.62Å; D135-R378 PolarHBondContact OD1-NE 3.29Å; D135-R378 IonicContact OD1-NH2 3.5Å; D135-R378 PolarHBondContact OD1-NH2 3.11Å; D135-R378 IonicContact OD2-CZ 2.99Å; D135-R378 IonicContact OD2-NE 2.78Å; D135-R378 PolarHBondContact OD2-NE 2.9Å; D135-R378 IonicContact OD2-NH2 2.66Å; C289-R378 PolarHBondContact SG-NH2 3.26Å; S290-R378 PolarHBondContact O-NH1 3.1Å; S290-R378 PolarHBondContact O-NH2 3.04Å; R331-R378 PolarHBondContact NH1-O 3.1Å; T375-R378 WeakPolarHBondContact O-CG 3.43Å; T375-R378 PolarHBondContact O-N 3.21Å; R376-R378 VanDerWaalsContact C-N 3.26Å; R376-R378 HydrophobicContact CB-CG 4.33Å; R376-R378 PolarHBondContact O-N 2.86Å
379	T	98.3	Very high	98	Very high	5 Å²	5	8.4 Å²	8.4	3%	0.031	5%	0.049	C	C	.	.			trans	-142.3	167	-176.8	71	0	0	0	0	111.3	V130 I134 R331 I333 C373 P381	V130-T379 HydrophobicContact CG1-CG2 4.35Å; V130-T379 HydrophobicContact CG2-CG2 3.88Å; I134-T379 HydrophobicContact CD1-CG2 3.93Å; R331-T379 CarbonylContact O-C 3.59Å; R331-T379 VanDerWaalsContact O-CA 3.31Å; R331-T379 WeakPolarHBondContact O-CA 3.48Å; R331-T379 WeakPolarHBondContact O-CB 3.33Å; I333-T379 HydrophobicContact CD1-CG2 4.09Å; C373-T379 PolarHBondContact O-OG1 3.04Å; T379-P381 WeakPolarHBondContact O-CD 3.3Å
380	I	98.6	Very high	97.9	Very high	6 Å²	6	8.4 Å²	8.4	3%	0.031	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	91.5	166.2	-61.2	174.8	0	0	0	106.6	L294 I298 R331 V332 I333 F382 A459	L294-I380 HydrophobicContact CB-CD1 3.79Å; L294-I380 HydrophobicContact CB-CG1 4Å; L294-I380 HydrophobicContact CD1-CG1 4.25Å; I298-I380 HydrophobicContact CD1-CD1 3.6Å; I298-I380 HydrophobicContact CG1-CD1 3.24Å; R331-I380 PolarHBondContact O-N 2.98Å; V332-I380 WeakPolarHBondContact CA-O 3.5Å; V332-I380 HydrophobicContact CG2-CB 4.18Å; V332-I380 HydrophobicContact CG2-CD1 4.39Å; V332-I380 HydrophobicContact CG2-CG2 4.49Å; I333-I380 PolarHBondContact N-O 2.91Å; I380-F382 HydrophobicContact CG2-CD2 4.36Å; I380-F382 HydrophobicContact CG2-CE2 3.77Å; I380-A459 HydrophobicContact CG2-CB 4.08Å
381	P	98.8	Very high	97.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	139.2	-176	28.4	-30.3	0	0	0	112.4	I333 L335 A370 A374 T379 N406 C407 N408	I333-P381 HydrophobicContact CD1-CB 4.33Å; I333-P381 HydrophobicContact CG1-CB 4.05Å; L335-P381 HydrophobicContact CD1-CB 3.51Å; A370-P381 HydrophobicContact CB-CB 4.41Å; A374-P381 HydrophobicContact CB-CG 3.83Å; T379-P381 WeakPolarHBondContact O-CD 3.3Å; P381-N406 WeakPolarHBondContact CD-O 3.34Å; P381-C407 HydrophobicContact CG-CB 4.32Å; P381-N408 WeakPolarHBondContact O-CB 3.47Å; P381-N408 PolarHBondContact O-N 3.47Å; P381-N408 PolarHBondContact O-ND2 2.62Å
382	F	98.9	Very high	97.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	105.7	170.4	-79.6	-94.1	0	0	0	110.3	Y318 L322 I325 V332 I333 G334 L335 I380 N408 V455 A458 A459 I467	Y318-F382 HydrophobicContact CE2-CD1 4.07Å; L322-F382 HydrophobicContact CD1-CB 3.62Å; L322-F382 HydrophobicContact CD1-CD1 4.16Å; L322-F382 HydrophobicContact CD1-CD2 3.63Å; L322-F382 HydrophobicContact CD1-CE2 4.32Å; L322-F382 HydrophobicContact CD1-CG 3.53Å; I325-F382 HydrophobicContact CD1-CE2 3.65Å; I325-F382 HydrophobicContact CD1-CZ 3.83Å; V332-F382 HydrophobicContact CG1-CD2 4Å; V332-F382 HydrophobicContact CG1-CE2 4.1Å; I333-F382 PolarHBondContact O-N 3.35Å; G334-F382 WeakPolarHBondContact CA-O 3.33Å; L335-F382 PolarHBondContact N-O 2.73Å; I380-F382 HydrophobicContact CG2-CD2 4.36Å; I380-F382 HydrophobicContact CG2-CE2 3.77Å; F382-N408 CarbonylContact C-O 3.45Å; F382-N408 VanDerWaalsContact CA-O 3.31Å; F382-N408 WeakPolarHBondContact CA-O 3.41Å; F382-N408 HydrophobicContact CD1-CB 3.51Å; F382-N408 HydrophobicContact CD2-CB 4.39Å; F382-N408 HydrophobicContact CE1-CB 3.51Å; F382-N408 HydrophobicContact CE2-CB 4.39Å; F382-N408 HydrophobicContact CG-CB 3.97Å; F382-N408 HydrophobicContact CZ-CB 3.98Å; F382-V455 HydrophobicContact CE1-CG1 3.95Å; F382-V455 HydrophobicContact CZ-CG1 3.98Å; F382-A458 HydrophobicContact CE1-CB 4.47Å; F382-A459 HydrophobicContact CE2-CB 4.14Å; F382-A459 HydrophobicContact CZ-CB 3.94Å; F382-I467 HydrophobicContact CE1-CD1 4.21Å
383	V	98.9	Very high	97.8	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.8	174.7	174.4	0	0	0	0	109.6	L335 L366 A370 L390 N408 F409 A410	L335-V383 CarbonylContact O-C 3.52Å; L335-V383 WeakPolarHBondContact O-CA 3.33Å; L366-V383 HydrophobicContact CD1-CG1 4.1Å; L366-V383 HydrophobicContact CD2-CG1 3.7Å; L366-V383 HydrophobicContact CG-CG1 3.71Å; A370-V383 HydrophobicContact CB-CG2 3.24Å; V383-L390 HydrophobicContact CG1-CD2 4.42Å; V383-N408 PolarHBondContact N-O 2.89Å; V383-F409 HydrophobicContact CB-CD1 3.68Å; V383-F409 HydrophobicContact CB-CE1 4.1Å; V383-F409 HydrophobicContact CB-CG 4.45Å; V383-F409 HydrophobicContact CG1-CD1 3.89Å; V383-F409 HydrophobicContact CG1-CE1 4.32Å; V383-F409 HydrophobicContact CG2-CD1 4.04Å; V383-F409 HydrophobicContact CG2-CE1 3.94Å; V383-A410 PolarHBondContact O-N 2.9Å
384	S	98.9	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118	-178.1	-52.3	0	0	0	0	110.4	Y318 L335 D336 G337 S345	Y318-S384 PolarHBondContact OH-OG 2.88Å; L335-S384 PolarHBondContact O-N 3.29Å; D336-S384 WeakPolarHBondContact CA-O 3.5Å; D336-S384 WeakPolarHBondContact OD1-CB 3.25Å; G337-S384 PolarHBondContact N-O 3.28Å; G337-S384 VanDerWaalsContact N-O 3.13Å; S345-S384 WeakPolarHBondContact CB-OG 3.29Å
385	T	98.7	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	-175.5	168.3	-171.9	0	0	0	0	111	T339 E363 L390 A410 S412	T339-T385 WeakPolarHBondContact OG1-CA 3.49Å; E363-T385 HydrophobicContact CG-CG2 4.27Å; T385-L390 HydrophobicContact CG2-CD1 4.38Å; T385-L390 HydrophobicContact CG2-CD2 3.52Å; T385-L390 HydrophobicContact CG2-CG 3.58Å; T385-A410 PolarHBondContact N-O 2.84Å; T385-S412 PolarHBondContact O-N 2.82Å; T385-S412 PolarHBondContact O-OG 3.41Å
386	F	98.3	Very high	97.9	Very high	22 Å²	22	22.5 Å²	22.5	10%	0.096	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.4	167.6	-67.8	4.5	0	0	0	108.5	T339 A388 F389 L390 S412 H413 Q425	T339-F386 HydrophobicContact CG2-CD1 3.78Å; T339-F386 HydrophobicContact CG2-CE1 3.78Å; T339-F386 HydrophobicContact CG2-CG 4.33Å; T339-F386 HydrophobicContact CG2-CZ 4.33Å; F386-A388 PolarHBondContact O-N 3.4Å; F386-F389 HydrophobicContact CB-CB 4.47Å; F386-F389 HydrophobicContact CB-CD1 4.45Å; F386-F389 HydrophobicContact CB-CD2 3.77Å; F386-F389 HydrophobicContact CB-CE2 4.03Å; F386-F389 HydrophobicContact CB-CG 3.98Å; F386-F389 HydrophobicContact CB-CZ 4.48Å; F386-F389 HydrophobicContact CD2-CD2 4.22Å; F386-F389 HydrophobicContact CD2-CE1 4.48Å; F386-F389 AromaticContact CD2-CE2 3.59Å; F386-F389 HydrophobicContact CD2-CE2 3.59Å; F386-F389 AromaticContact CD2-CZ 3.74Å; F386-F389 HydrophobicContact CD2-CZ 3.74Å; F386-F389 HydrophobicContact CE2-CE2 4.3Å; F386-F389 HydrophobicContact CE2-CZ 4.44Å; F386-F389 HydrophobicContact CG-CD2 4.15Å; F386-F389 AromaticContact CG-CE2 3.97Å; F386-F389 HydrophobicContact CG-CE2 3.97Å; F386-F389 HydrophobicContact CG-CZ 4.46Å; F386-F389 PolarHBondContact O-N 2.84Å; F386-L390 PolarHBondContact O-N 3.11Å; F386-S412 VanDerWaalsContact CD1-OG 3.31Å; F386-S412 WeakPolarHBondContact CD1-OG 3.49Å; F386-H413 AromaticContact CD1-CE1 3.9Å; F386-H413 AromaticContact CD1-ND1 3.38Å; F386-H413 WeakPolarHBondContact CD1-ND1 3.26Å; F386-H413 AromaticContact CE1-CE1 3.3Å; F386-H413 WeakPolarHBondContact CE1-CE1 3.48Å; F386-H413 AromaticContact CE1-ND1 3.29Å; F386-H413 VanDerWaalsContact CE1-ND1 3.29Å; F386-H413 WeakPolarHBondContact CE1-ND1 3.49Å; F386-H413 HydrophobicContact CG-CB 4.37Å; F386-H413 AromaticContact CG-ND1 3.9Å; F386-H413 AromaticContact CZ-CE1 3.53Å; F386-H413 AromaticContact CZ-ND1 3.72Å; F386-H413 AromaticContact CZ-NE2 3.93Å; F386-Q425 HydrophobicContact CD2-CG 4.26Å; F386-Q425 HydrophobicContact CE2-CG 4.34Å
387	A	98.5	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-56.2	-36.3	-179	0	0	0	0	0	111.7	F389 L390 S412 V414 A427 D430 Y466	A387-F389 VanDerWaalsContact C-N 3.27Å; A387-F389 PolarHBondContact O-N 3.15Å; A387-L390 PolarHBondContact O-N 2.69Å; A387-S412 VanDerWaalsContact CB-O 3.3Å; A387-S412 WeakPolarHBondContact CB-O 3.37Å; A387-S412 PolarHBondContact N-O 3.3Å; A387-V414 HydrophobicContact CB-CG1 3.59Å; A387-A427 HydrophobicContact CB-CB 3.23Å; A387-D430 HydrophobicContact CB-CB 4.09Å; A387-Y466 WeakPolarHBondContact CB-OH 3.38Å
388	A	98	Very high	98.3	Very high	13 Å²	13	25.1 Å²	25.1	11%	0.107	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-62.6	-31.8	175.3	0	0	0	0	0	112.6	F386 T391 A427	F386-A388 PolarHBondContact O-N 3.4Å; A388-T391 WeakPolarHBondContact O-CB 3.35Å; A388-T391 VanDerWaalsContact O-CG2 3.25Å; A388-T391 WeakPolarHBondContact O-CG2 3.27Å; A388-T391 PolarHBondContact O-N 2.97Å; A388-T391 PolarHBondContact O-OG1 3.07Å; A388-A427 HydrophobicContact CB-CB 4.19Å; A388-A427 VanDerWaalsContact N-CB 3.33Å
389	F	98.3	Very high	98.4	Very high	38 Å²	38	25.1 Å²	25.1	17%	0.167	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-80.2	-20.3	-178	-59.8	-13.7	0	0	0	112.9	E363 F386 A387 T391 R392 Q425	E363-F389 HydrophobicContact CG-CB 3.99Å; E363-F389 WeakPolarHBondContact OE1-CB 3.44Å; E363-F389 WeakPolarHBondContact OE1-CD2 3.35Å; F386-F389 HydrophobicContact CB-CB 4.47Å; F386-F389 HydrophobicContact CB-CD1 4.45Å; F386-F389 HydrophobicContact CB-CD2 3.77Å; F386-F389 HydrophobicContact CB-CE2 4.03Å; F386-F389 HydrophobicContact CB-CG 3.98Å; F386-F389 HydrophobicContact CB-CZ 4.48Å; F386-F389 HydrophobicContact CD2-CD2 4.22Å; F386-F389 HydrophobicContact CD2-CE1 4.48Å; F386-F389 AromaticContact CD2-CE2 3.59Å; F386-F389 HydrophobicContact CD2-CE2 3.59Å; F386-F389 AromaticContact CD2-CZ 3.74Å; F386-F389 HydrophobicContact CD2-CZ 3.74Å; F386-F389 HydrophobicContact CE2-CE2 4.3Å; F386-F389 HydrophobicContact CE2-CZ 4.44Å; F386-F389 HydrophobicContact CG-CD2 4.15Å; F386-F389 AromaticContact CG-CE2 3.97Å; F386-F389 HydrophobicContact CG-CE2 3.97Å; F386-F389 HydrophobicContact CG-CZ 4.46Å; F386-F389 PolarHBondContact O-N 2.84Å; A387-F389 VanDerWaalsContact C-N 3.27Å; A387-F389 PolarHBondContact O-N 3.15Å; F389-T391 PolarHBondContact O-N 2.84Å; F389-T391 VanDerWaalsContact O-N 3.16Å; F389-R392 WeakPolarHBondContact O-CG 3.29Å; F389-R392 PolarHBondContact O-N 3.38Å; F389-Q425 HydrophobicContact CZ-CG 4.49Å
390	L	98.5	Very high	98.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-63.7	-17	171.4	-67.9	168.4	0	0	0	112.9	V367 V383 T385 F386 A387 R392 S393 F394 I397 F409 M433 F434 Y466	V367-L390 HydrophobicContact CG2-CD2 4.43Å; V383-L390 HydrophobicContact CG1-CD2 4.42Å; T385-L390 HydrophobicContact CG2-CD1 4.38Å; T385-L390 HydrophobicContact CG2-CD2 3.52Å; T385-L390 HydrophobicContact CG2-CG 3.58Å; F386-L390 PolarHBondContact O-N 3.11Å; A387-L390 PolarHBondContact O-N 2.69Å; L390-R392 VanDerWaalsContact C-N 3.25Å; L390-R392 PolarHBondContact O-N 2.96Å; L390-S393 CarbonylContact O-C 3.51Å; L390-S393 PolarHBondContact O-N 2.8Å; L390-S393 VanDerWaalsContact O-N 3.09Å; L390-S393 PolarHBondContact O-OG 2.89Å; L390-S393 VanDerWaalsContact O-OG 3.1Å; L390-F394 PolarHBondContact O-N 3.3Å; L390-I397 HydrophobicContact CB-CD1 4.37Å; L390-I397 HydrophobicContact CD2-CD1 4.46Å; L390-F409 HydrophobicContact CD2-CD1 4.3Å; L390-M433 HydrophobicContact CB-CE 3.85Å; L390-F434 HydrophobicContact CB-CE2 4.42Å; L390-F434 HydrophobicContact CD1-CE2 3.77Å; L390-F434 HydrophobicContact CD1-CZ 3.95Å; L390-Y466 HydrophobicContact CD1-CD2 4.44Å; L390-Y466 HydrophobicContact CD1-CE2 3.84Å
391	T	97.8	Very high	98.3	Very high	72 Å²	72	26 Å²	26	44%	0.442	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-59.2	-36	175.9	59.8	0	0	0	0	112.5	A388 F389 S393 F394	A388-T391 WeakPolarHBondContact O-CB 3.35Å; A388-T391 VanDerWaalsContact O-CG2 3.25Å; A388-T391 WeakPolarHBondContact O-CG2 3.27Å; A388-T391 PolarHBondContact O-N 2.97Å; A388-T391 PolarHBondContact O-OG1 3.07Å; F389-T391 PolarHBondContact O-N 2.84Å; F389-T391 VanDerWaalsContact O-N 3.16Å; T391-S393 PolarHBondContact O-N 3.39Å; T391-F394 PolarHBondContact O-N 2.89Å
392	R	96.9	Very high	98.3	Very high	111 Å²	111	29.1 Å²	29.1	42%	0.419	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-73.2	-15.8	178.7	82.5	-174.6	65.5	168.9	-11.8	113.4	E363 Q364 F389 L390	E363-R392 HydrophobicContact CB-CG 3.86Å; E363-R392 IonicContact OE1-NH1 3.31Å; E363-R392 VanDerWaalsContact OE2-CD 3.26Å; E363-R392 WeakPolarHBondContact OE2-CD 3.19Å; E363-R392 IonicContact OE2-CZ 3.76Å; E363-R392 IonicContact OE2-NE 3.93Å; E363-R392 PolarHBondContact OE2-NE 2.9Å; E363-R392 IonicContact OE2-NH1 2.84Å; E363-R392 PolarHBondContact OE2-NH1 3.33Å; Q364-R392 HydrophobicContact CG-CG 4.4Å; Q364-R392 WeakPolarHBondContact CG-O 3.49Å; Q364-R392 PolarHBondContact NE2-O 3.23Å; F389-R392 WeakPolarHBondContact O-CG 3.29Å; F389-R392 PolarHBondContact O-N 3.38Å; L390-R392 VanDerWaalsContact C-N 3.25Å; L390-R392 PolarHBondContact O-N 2.96Å
393	S	98.1	Very high	98.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-109.7	16.8	179.5	59.8	0	0	0	0	113.5	E363 V367 L390 T391 D395 Q396 I397	E363-S393 WeakPolarHBondContact O-CB 3.42Å; V367-S393 WeakPolarHBondContact CG2-OG 3.4Å; L390-S393 CarbonylContact O-C 3.51Å; L390-S393 PolarHBondContact O-N 2.8Å; L390-S393 VanDerWaalsContact O-N 3.09Å; L390-S393 PolarHBondContact O-OG 2.89Å; L390-S393 VanDerWaalsContact O-OG 3.1Å; T391-S393 PolarHBondContact O-N 3.39Å; S393-D395 VanDerWaalsContact C-N 3.3Å; S393-D395 PolarHBondContact O-N 3.02Å; S393-Q396 VanDerWaalsContact CA-OE1 3.24Å; S393-Q396 WeakPolarHBondContact O-CB 3.22Å; S393-Q396 PolarHBondContact O-N 3.18Å; S393-Q396 VanDerWaalsContact O-N 3.13Å; S393-Q396 PolarHBondContact O-OE1 3.06Å; S393-I397 WeakPolarHBondContact O-CG1 3.43Å; S393-I397 PolarHBondContact O-N 3.2Å
394	F	98.6	Very high	98.2	Very high	71 Å²	71	34.6 Å²	34.6	31%	0.311	17%	0.166	S	C	.	.	H	α-helix	trans	-60.8	-38.1	-177.1	-178	-138.5	0	0	0	113.1	L390 T391 Q396 I397 R398 M433 S436 V437	L390-F394 PolarHBondContact O-N 3.3Å; T391-F394 PolarHBondContact O-N 2.89Å; F394-Q396 VanDerWaalsContact C-N 3.33Å; F394-Q396 PolarHBondContact O-N 3.31Å; F394-I397 PolarHBondContact O-N 3.37Å; F394-R398 WeakPolarHBondContact O-CB 3.26Å; F394-R398 PolarHBondContact O-N 3.17Å; F394-M433 HydrophobicContact CB-CG 4.24Å; F394-M433 HydrophobicContact CB-SD 3.67Å; F394-M433 HydrophobicContact CD1-CG 4.19Å; F394-M433 HydrophobicContact CD2-CG 3.09Å; F394-M433 HydrophobicContact CD2-SD 3.62Å; F394-M433 HydrophobicContact CE1-CG 4.36Å; F394-M433 HydrophobicContact CE2-CB 4.44Å; F394-M433 HydrophobicContact CE2-CG 3.32Å; F394-M433 HydrophobicContact CE2-SD 4.43Å; F394-M433 HydrophobicContact CG-CG 3.58Å; F394-M433 HydrophobicContact CG-SD 3.72Å; F394-M433 HydrophobicContact CZ-CG 3.97Å; F394-S436 WeakPolarHBondContact CZ-OG 3.24Å; F394-V437 HydrophobicContact CE2-CG2 3.83Å
395	D	98.4	Very high	98.1	Very high	53 Å²	53	35 Å²	35	28%	0.283	17%	0.168	S	C	.	.	H	α-helix	trans	-66.1	-36.5	177.6	-173.9	50.3	0	0	0	112	S116 Q119 S393 R398 M399	S116-D395 WeakPolarHBondContact CB-OD2 3.41Å; S116-D395 PolarHBondContact OG-OD2 3.13Å; Q119-D395 PolarHBondContact NE2-OD2 3.45Å; S393-D395 VanDerWaalsContact C-N 3.3Å; S393-D395 PolarHBondContact O-N 3.02Å; D395-R398 PolarHBondContact O-N 3.41Å; D395-R398 IonicContact OD1-NH1 2.91Å; D395-M399 WeakPolarHBondContact O-CB 3.27Å; D395-M399 WeakPolarHBondContact O-CG 3.24Å; D395-M399 PolarHBondContact O-N 3.29Å
396	Q	98.6	Very high	98	Very high	9 Å²	9	37 Å²	37	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-41.2	172.4	-67.7	70.5	16.5	0	0	111.3	Q119 V367 I371 S393 F394 M399 G400	Q119-Q396 HydrophobicContact CG-CG 4.05Å; V367-Q396 HydrophobicContact CB-CB 3.89Å; V367-Q396 HydrophobicContact CG1-CB 3.52Å; I371-Q396 VanDerWaalsContact CD1-O 3.28Å; I371-Q396 WeakPolarHBondContact CD1-O 3.49Å; S393-Q396 VanDerWaalsContact CA-OE1 3.24Å; S393-Q396 WeakPolarHBondContact O-CB 3.22Å; S393-Q396 PolarHBondContact O-N 3.18Å; S393-Q396 VanDerWaalsContact O-N 3.13Å; S393-Q396 PolarHBondContact O-OE1 3.06Å; F394-Q396 VanDerWaalsContact C-N 3.33Å; F394-Q396 PolarHBondContact O-N 3.31Å; Q396-M399 PolarHBondContact O-N 3Å; Q396-G400 PolarHBondContact O-N 3.02Å
397	I	98.7	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-46.3	175	-65.6	163	0	0	0	110.2	V367 L390 S393 F394 G400 A401 F409 M433 F434 V437 I464	V367-I397 HydrophobicContact CG1-CG1 4.01Å; V367-I397 HydrophobicContact CG2-CG1 4.4Å; L390-I397 HydrophobicContact CB-CD1 4.37Å; L390-I397 HydrophobicContact CD2-CD1 4.46Å; S393-I397 WeakPolarHBondContact O-CG1 3.43Å; S393-I397 PolarHBondContact O-N 3.2Å; F394-I397 PolarHBondContact O-N 3.37Å; I397-G400 WeakPolarHBondContact O-CA 3.4Å; I397-G400 PolarHBondContact O-N 3.23Å; I397-G400 VanDerWaalsContact O-N 3.13Å; I397-A401 PolarHBondContact O-N 2.74Å; I397-A401 VanDerWaalsContact O-N 3.13Å; I397-F409 HydrophobicContact CG1-CE1 4.07Å; I397-F409 HydrophobicContact CG1-CZ 4.19Å; I397-M433 HydrophobicContact CD1-CE 4.07Å; I397-F434 HydrophobicContact CD1-CE1 4.02Å; I397-F434 HydrophobicContact CD1-CE2 4.22Å; I397-F434 HydrophobicContact CD1-CZ 3.55Å; I397-F434 HydrophobicContact CG1-CE1 4.47Å; I397-F434 HydrophobicContact CG1-CZ 4.4Å; I397-F434 HydrophobicContact CG2-CD1 4.2Å; I397-F434 HydrophobicContact CG2-CE1 3.74Å; I397-F434 HydrophobicContact CG2-CZ 4.4Å; I397-V437 HydrophobicContact CG2-CG2 3.93Å; I397-I464 HydrophobicContact CG2-CD1 4.01Å; I397-I464 HydrophobicContact CG2-CG2 4.45Å; I397-I464 WeakPolarHBondContact O-CD1 3.41Å
398	R	98.1	Very high	98	Very high	119 Å²	119	36.1 Å²	36.1	45%	0.449	18%	0.176	S	C	.	.	H	α-helix	trans	-60.3	-47.3	177	176.4	-178.4	164.9	-82.3	-6.6	111.4	F394 D395 G400 A401 I402	F394-R398 WeakPolarHBondContact O-CB 3.26Å; F394-R398 PolarHBondContact O-N 3.17Å; D395-R398 PolarHBondContact O-N 3.41Å; D395-R398 IonicContact OD1-NH1 2.91Å; R398-G400 PolarHBondContact O-N 2.8Å; R398-A401 PolarHBondContact O-N 3.19Å; R398-I402 PolarHBondContact O-N 3.35Å
399	M	98.1	Very high	98.1	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.039	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-29.5	175.3	-73.2	-56.5	-55.8	0	0	112.3	A113 D395 Q396 I402 S403	A113-M399 HydrophobicContact CB-CE 4.13Å; A113-M399 WeakPolarHBondContact O-CE 3.24Å; D395-M399 WeakPolarHBondContact O-CB 3.27Å; D395-M399 WeakPolarHBondContact O-CG 3.24Å; D395-M399 PolarHBondContact O-N 3.29Å; Q396-M399 PolarHBondContact O-N 3Å; M399-I402 PolarHBondContact O-N 2.89Å; M399-I402 HydrophobicContact SD-CD1 3.83Å; M399-S403 VanDerWaalsContact O-CB 3.27Å; M399-S403 WeakPolarHBondContact O-CB 3.33Å; M399-S403 PolarHBondContact O-N 3.38Å; M399-S403 PolarHBondContact O-OG 3.12Å
400	G	98.2	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.2	-42.5	170.7	0	0	0	0	0	112.8	Q396 I397 R398 S403 Q404 T405	Q396-G400 PolarHBondContact O-N 3.02Å; I397-G400 WeakPolarHBondContact O-CA 3.4Å; I397-G400 PolarHBondContact O-N 3.23Å; I397-G400 VanDerWaalsContact O-N 3.13Å; R398-G400 PolarHBondContact O-N 2.8Å; G400-S403 CarbonylContact O-C 3.53Å; G400-S403 WeakPolarHBondContact O-CA 3.27Å; G400-S403 WeakPolarHBondContact O-CB 3.47Å; G400-S403 PolarHBondContact O-N 3.45Å; G400-Q404 PolarHBondContact O-N 3.21Å; G400-Q404 VanDerWaalsContact O-N 3.12Å; G400-T405 WeakPolarHBondContact O-CB 2.97Å; G400-T405 WeakPolarHBondContact O-CG2 3.4Å; G400-T405 PolarHBondContact O-N 3.27Å
401	A	98.1	Very high	98.1	Very high	28 Å²	28	33.8 Å²	33.8	23%	0.231	16%	0.164	C	C	.	.	H	α-helix	trans	-66.1	-41.9	176.1	0	0	0	0	0	112.1	I397 R398 S403 Q404 V437 I464	I397-A401 PolarHBondContact O-N 2.74Å; I397-A401 VanDerWaalsContact O-N 3.13Å; R398-A401 PolarHBondContact O-N 3.19Å; A401-S403 PolarHBondContact O-N 2.93Å; A401-Q404 WeakPolarHBondContact O-CA 3.48Å; A401-Q404 PolarHBondContact O-N 2.99Å; A401-V437 HydrophobicContact CB-CG1 3.46Å; A401-V437 VanDerWaalsContact CB-CG1 3.46Å; A401-I464 HydrophobicContact CB-CD1 3.98Å
402	I	97.5	Very high	98.1	Very high	67 Å²	67	30.4 Å²	30.4	34%	0.344	14%	0.143	S	C	.	.	H	α-helix	trans	-63.7	-34.7	174.3	-57.4	169.7	0	0	0	110.2	A113 R398 M399 Q404	A113-I402 HydrophobicContact CB-CB 4.07Å; A113-I402 HydrophobicContact CB-CG2 3.49Å; A113-I402 VanDerWaalsContact CB-CG2 3.49Å; R398-I402 PolarHBondContact O-N 3.35Å; M399-I402 PolarHBondContact O-N 2.89Å; M399-I402 HydrophobicContact SD-CD1 3.83Å; I402-Q404 PolarHBondContact O-N 3.27Å
403	S	98.1	Very high	98.1	Very high	8 Å²	8	25.3 Å²	25.3	6%	0.056	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	2.3	172.7	-57.6	0	0	0	0	113.8	A113 M399 G400 A401 T405	A113-S403 PolarHBondContact N-OG 3.14Å; A113-S403 PolarHBondContact O-OG 3.17Å; M399-S403 VanDerWaalsContact O-CB 3.27Å; M399-S403 WeakPolarHBondContact O-CB 3.33Å; M399-S403 PolarHBondContact O-N 3.38Å; M399-S403 PolarHBondContact O-OG 3.12Å; G400-S403 CarbonylContact O-C 3.53Å; G400-S403 WeakPolarHBondContact O-CA 3.27Å; G400-S403 WeakPolarHBondContact O-CB 3.47Å; G400-S403 PolarHBondContact O-N 3.45Å; A401-S403 PolarHBondContact O-N 2.93Å; S403-T405 PolarHBondContact O-N 2.92Å; S403-T405 VanDerWaalsContact O-N 3.14Å
404	Q	97	Very high	98.1	Very high	107 Å²	107	25.4 Å²	25.4	50%	0.5	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	36.1	-179.5	-54.9	175.5	25.5	0	0	112.3	P105 G400 A401 I402	P105-Q404 HydrophobicContact CG-CB 4.21Å; P105-Q404 HydrophobicContact CG-CG 3.92Å; G400-Q404 PolarHBondContact O-N 3.21Å; G400-Q404 VanDerWaalsContact O-N 3.12Å; A401-Q404 WeakPolarHBondContact O-CA 3.48Å; A401-Q404 PolarHBondContact O-N 2.99Å; I402-Q404 PolarHBondContact O-N 3.27Å
405	T	97.6	Very high	98.1	Very high	8 Å²	8	22 Å²	22	5%	0.049	11%	0.109	C	C	.	.			trans	-72	142.8	-176.1	-163.3	0	0	0	0	111.7	I371 A374 G400 S403 C407 G463 I464	I371-T405 HydrophobicContact CG1-CG2 4.19Å; A374-T405 WeakPolarHBondContact CB-OG1 3.31Å; G400-T405 WeakPolarHBondContact O-CB 2.97Å; G400-T405 WeakPolarHBondContact O-CG2 3.4Å; G400-T405 PolarHBondContact O-N 3.27Å; S403-T405 PolarHBondContact O-N 2.92Å; S403-T405 VanDerWaalsContact O-N 3.14Å; T405-C407 HydrophobicContact CG2-CB 3.85Å; T405-G463 CarbonylContact O-C 3.54Å; T405-G463 VanDerWaalsContact O-CA 3.24Å; T405-G463 WeakPolarHBondContact O-CA 3.14Å; T405-I464 HydrophobicContact CG2-CD1 4.05Å; T405-I464 HydrophobicContact CG2-CG1 3.76Å
406	N	97.3	Very high	98	Very high	44 Å²	44	19.5 Å²	19.5	24%	0.235	10%	0.096	C	C	.	.			trans	-97.8	83.2	168.7	-63.3	-33.2	0	0	0	108.2	P381 V462 G463	P381-N406 WeakPolarHBondContact CD-O 3.34Å; N406-V462 WeakPolarHBondContact OD1-CA 3.26Å; N406-V462 WeakPolarHBondContact OD1-CG1 3.38Å; N406-G463 WeakPolarHBondContact CA-O 3.33Å; N406-G463 PolarHBondContact OD1-N 3.39Å
407	C	98.2	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135	-175.4	-168.5	0	0	0	0	111	P381 T405 F409 G463 I464 C465	P381-C407 HydrophobicContact CG-CB 4.32Å; T405-C407 HydrophobicContact CG2-CB 3.85Å; C407-F409 HydrophobicContact CB-CE2 3.82Å; C407-F409 HydrophobicContact CB-CZ 4.01Å; C407-F409 VanDerWaalsContact SG-CZ 3.58Å; C407-G463 PolarHBondContact N-O 2.95Å; C407-I464 WeakPolarHBondContact O-CA 3.2Å; C407-C465 PolarHBondContact O-N 3.18Å
408	N	98.9	Very high	97.5	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.7	-178.4	-52.9	-71.4	0	0	0	109.3	P381 F382 V383 A458 C465	P381-N408 WeakPolarHBondContact O-CB 3.47Å; P381-N408 PolarHBondContact O-N 3.47Å; P381-N408 PolarHBondContact O-ND2 2.62Å; F382-N408 CarbonylContact C-O 3.45Å; F382-N408 VanDerWaalsContact CA-O 3.31Å; F382-N408 WeakPolarHBondContact CA-O 3.41Å; F382-N408 HydrophobicContact CD1-CB 3.51Å; F382-N408 HydrophobicContact CD2-CB 4.39Å; F382-N408 HydrophobicContact CE1-CB 3.51Å; F382-N408 HydrophobicContact CE2-CB 4.39Å; F382-N408 HydrophobicContact CG-CB 3.97Å; F382-N408 HydrophobicContact CZ-CB 3.98Å; V383-N408 PolarHBondContact N-O 2.89Å; N408-A458 WeakPolarHBondContact OD1-CB 3.33Å; N408-A458 PolarHBondContact OD1-O 2.9Å; N408-C465 CarbonylContact C-O 3.5Å; N408-C465 WeakPolarHBondContact CA-O 3.38Å; N408-C465 WeakPolarHBondContact OD1-CB 3.42Å
409	F	98.9	Very high	97.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.9	-179.2	-59.9	-91.3	0	0	0	108.7	V367 V383 L390 I397 C407 F434 I464 C465 Y466 I467	V367-F409 HydrophobicContact CB-CE1 4.4Å; V367-F409 HydrophobicContact CG1-CE1 3.84Å; V367-F409 HydrophobicContact CG1-CZ 4.1Å; V367-F409 HydrophobicContact CG2-CE1 3.87Å; V383-F409 HydrophobicContact CB-CD1 3.68Å; V383-F409 HydrophobicContact CB-CE1 4.1Å; V383-F409 HydrophobicContact CB-CG 4.45Å; V383-F409 HydrophobicContact CG1-CD1 3.89Å; V383-F409 HydrophobicContact CG1-CE1 4.32Å; V383-F409 HydrophobicContact CG2-CD1 4.04Å; V383-F409 HydrophobicContact CG2-CE1 3.94Å; L390-F409 HydrophobicContact CD2-CD1 4.3Å; I397-F409 HydrophobicContact CG1-CE1 4.07Å; I397-F409 HydrophobicContact CG1-CZ 4.19Å; C407-F409 HydrophobicContact CB-CE2 3.82Å; C407-F409 HydrophobicContact CB-CZ 4.01Å; C407-F409 VanDerWaalsContact SG-CZ 3.58Å; F409-F434 HydrophobicContact CB-CE1 4.01Å; F409-F434 HydrophobicContact CB-CZ 3.77Å; F409-F434 HydrophobicContact CD1-CZ 4.36Å; F409-F434 AromaticContact CD2-CE1 3.83Å; F409-F434 HydrophobicContact CD2-CE1 3.83Å; F409-F434 HydrophobicContact CD2-CZ 4.3Å; F409-F434 HydrophobicContact CE2-CE1 4.5Å; F409-F434 AromaticContact CG-CE1 3.91Å; F409-F434 HydrophobicContact CG-CE1 3.91Å; F409-F434 AromaticContact CG-CZ 3.89Å; F409-F434 HydrophobicContact CG-CZ 3.89Å; F409-I464 HydrophobicContact CD2-CG2 3.87Å; F409-I464 HydrophobicContact CE2-CB 4.47Å; F409-I464 HydrophobicContact CE2-CD1 4.3Å; F409-I464 HydrophobicContact CE2-CG1 4.21Å; F409-I464 HydrophobicContact CE2-CG2 3.76Å; F409-C465 WeakPolarHBondContact CD2-O 3.27Å; F409-C465 PolarHBondContact N-O 2.86Å; F409-Y466 HydrophobicContact CB-CD2 3.99Å; F409-Y466 CarbonylContact O-C 3.23Å; F409-Y466 VanDerWaalsContact O-CA 3.32Å; F409-Y466 WeakPolarHBondContact O-CA 3.43Å; F409-Y466 WeakPolarHBondContact O-CD2 2.99Å; F409-I467 PolarHBondContact O-N 3.33Å
410	A	98.8	Very high	97.1	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.017	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	111.6	172.5	0	0	0	0	0	109.2	Y318 V383 T385 I467	Y318-A410 HydrophobicContact CD1-CB 4.1Å; Y318-A410 HydrophobicContact CD2-CB 3.76Å; Y318-A410 HydrophobicContact CE1-CB 3.65Å; Y318-A410 HydrophobicContact CE2-CB 3.3Å; Y318-A410 HydrophobicContact CG-CB 4.15Å; Y318-A410 WeakPolarHBondContact OH-CB 3.49Å; V383-A410 PolarHBondContact O-N 2.9Å; T385-A410 PolarHBondContact N-O 2.84Å; A410-I467 WeakPolarHBondContact CA-O 3.23Å
411	G	98.5	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.6	174.9	0	0	0	0	0	110	V414 I467 T469	G411-V414 WeakPolarHBondContact O-CG1 3.45Å; G411-I467 PolarHBondContact N-O 3.38Å; G411-I467 VanDerWaalsContact N-O 3.08Å; G411-T469 PolarHBondContact O-N 2.96Å; G411-T469 PolarHBondContact O-OG1 3.39Å
412	S	98	Very high	96.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.007	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	177.1	171.9	68.5	0	0	0	0	111.9	T343 T385 F386 A387 V414 T469	T343-S412 WeakPolarHBondContact CG2-OG 3.38Å; T385-S412 PolarHBondContact O-N 2.82Å; T385-S412 PolarHBondContact O-OG 3.41Å; F386-S412 VanDerWaalsContact CD1-OG 3.31Å; F386-S412 WeakPolarHBondContact CD1-OG 3.49Å; A387-S412 VanDerWaalsContact CB-O 3.3Å; A387-S412 WeakPolarHBondContact CB-O 3.37Å; A387-S412 PolarHBondContact N-O 3.3Å; S412-V414 VanDerWaalsContact C-N 3.27Å; S412-V414 PolarHBondContact O-N 2.92Å; S412-T469 CarbonylContact C-O 3.52Å; S412-T469 VanDerWaalsContact CA-O 3.31Å; S412-T469 WeakPolarHBondContact CA-O 3.39Å; S412-T469 WeakPolarHBondContact CA-OG1 3.31Å
413	H	97.1	Very high	96.7	Very high	4 Å²	4	21 Å²	21	2%	0.019	11%	0.109	C	C	.	.	S	Bend	trans	60.3	38.9	175.9	-60.3	74.4	0	0	0	112.6	R315 F386 I418 D421 A427 T469	R315-H413 PolarHBondContact NH1-CE1 3.09Å; F386-H413 AromaticContact CD1-CE1 3.9Å; F386-H413 AromaticContact CD1-ND1 3.38Å; F386-H413 WeakPolarHBondContact CD1-ND1 3.26Å; F386-H413 AromaticContact CE1-CE1 3.3Å; F386-H413 WeakPolarHBondContact CE1-CE1 3.48Å; F386-H413 AromaticContact CE1-ND1 3.29Å; F386-H413 VanDerWaalsContact CE1-ND1 3.29Å; F386-H413 WeakPolarHBondContact CE1-ND1 3.49Å; F386-H413 HydrophobicContact CG-CB 4.37Å; F386-H413 AromaticContact CG-ND1 3.9Å; F386-H413 AromaticContact CZ-CE1 3.53Å; F386-H413 AromaticContact CZ-ND1 3.72Å; F386-H413 AromaticContact CZ-NE2 3.93Å; H413-I418 VanDerWaalsContact CA-CG2 3.46Å; H413-I418 HydrophobicContact CB-CG2 3.74Å; H413-I418 WeakPolarHBondContact O-CG2 3.47Å; H413-D421 IonicContact CD2-OD2 3.01Å; H413-A427 PolarHBondContact O-N 3.45Å; H413-T469 PolarHBondContact N-O 3.42Å
414	V	97.8	Very high	96.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-78.2	142.6	-178.7	-55.6	0	0	0	0	110.7	A387 G411 S412 Y444 R468 T469	A387-V414 HydrophobicContact CB-CG1 3.59Å; G411-V414 WeakPolarHBondContact O-CG1 3.45Å; S412-V414 VanDerWaalsContact C-N 3.27Å; S412-V414 PolarHBondContact O-N 2.92Å; V414-Y444 HydrophobicContact CG2-CE2 4.36Å; V414-R468 HydrophobicContact CB-CG 3.77Å; V414-R468 HydrophobicContact CG1-CB 4.43Å; V414-R468 HydrophobicContact CG1-CG 3.37Å; V414-R468 HydrophobicContact CG2-CG 3.93Å; V414-T469 VanDerWaalsContact CG1-O 3.25Å; V414-T469 WeakPolarHBondContact CG1-O 3.23Å; V414-T469 VanDerWaalsContact CG2-O 3.23Å; V414-T469 WeakPolarHBondContact CG2-O 3.38Å; V414-T469 PolarHBondContact N-O 3.1Å
415	G	97.8	Very high	96.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	68.1	-175.4	175.4	0	0	0	0	0	115.2	S417 M426 A427 D560	G415-S417 VanDerWaalsContact C-N 3.26Å; G415-S417 PolarHBondContact O-N 3.01Å; G415-M426 WeakPolarHBondContact O-CG 3.33Å; G415-A427 WeakPolarHBondContact CA-O 3.36Å; G415-A427 PolarHBondContact N-O 2.69Å; G415-D560 CarbonylContact C-O 3.57Å; G415-D560 WeakPolarHBondContact CA-O 3.38Å
416	V	97.4	Very high	96.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-74.2	-15.3	-178.3	-64.8	0	0	0	0	113.9	I418 G419 M426 L428 D560 I589 P593 L601 L602 Y605 I607	V416-I418 PolarHBondContact O-N 2.86Å; V416-G419 PolarHBondContact O-N 3.1Å; V416-M426 HydrophobicContact CB-SD 4.19Å; V416-M426 HydrophobicContact CG1-SD 3.97Å; V416-L428 HydrophobicContact CG1-CD2 4.01Å; V416-D560 HydrophobicContact CG2-CB 4.29Å; V416-D560 PolarHBondContact N-O 2.9Å; V416-I589 HydrophobicContact CB-CD1 4.35Å; V416-I589 HydrophobicContact CG1-CD1 3.66Å; V416-I589 HydrophobicContact CG1-CG1 3.78Å; V416-I589 HydrophobicContact CG1-CG2 4.21Å; V416-I589 HydrophobicContact CG2-CD1 3.74Å; V416-I589 HydrophobicContact CG2-CG1 4.4Å; V416-P593 HydrophobicContact CG1-CB 3.88Å; V416-P593 HydrophobicContact CG1-CG 3.51Å; V416-L601 HydrophobicContact CB-CB 4.45Å; V416-L601 WeakPolarHBondContact O-CD1 3.33Å; V416-L602 HydrophobicContact CG2-CD2 4.37Å; V416-Y605 HydrophobicContact CB-CD2 4.35Å; V416-Y605 HydrophobicContact CB-CE2 4.42Å; V416-Y605 HydrophobicContact CG1-CD2 4.15Å; V416-Y605 HydrophobicContact CG1-CE2 4.15Å; V416-Y605 HydrophobicContact CG2-CD2 4.19Å; V416-I607 HydrophobicContact CG2-CD1 3.81Å
417	S	93.7	Very high	96.6	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.014	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-70.7	-3.5	-174.1	67.1	0	0	0	0	114.2	G415 G419 P472 P598	G415-S417 VanDerWaalsContact C-N 3.26Å; G415-S417 PolarHBondContact O-N 3.01Å; S417-G419 PolarHBondContact O-N 3.32Å; S417-P472 WeakPolarHBondContact O-CG 3.36Å; S417-P598 WeakPolarHBondContact O-CB 3.44Å; S417-P598 WeakPolarHBondContact O-CG 3.3Å
418	I	93	Very high	96.5	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-62	-27	172.3	76.5	174.2	0	0	0	112.4	H413 V416 D421 Q425 M426 R471	H413-I418 VanDerWaalsContact CA-CG2 3.46Å; H413-I418 HydrophobicContact CB-CG2 3.74Å; H413-I418 WeakPolarHBondContact O-CG2 3.47Å; V416-I418 PolarHBondContact O-N 2.86Å; I418-D421 HydrophobicContact CD1-CB 3.89Å; I418-D421 HydrophobicContact CG1-CB 4.41Å; I418-Q425 VanDerWaalsContact CD1-C 3.48Å; I418-Q425 HydrophobicContact CD1-CB 3.6Å; I418-M426 HydrophobicContact CD1-CB 4.2Å; I418-M426 HydrophobicContact CD1-CE 4.34Å; I418-M426 HydrophobicContact CD1-CG 3.37Å; I418-M426 HydrophobicContact CG1-CE 3.86Å; I418-M426 HydrophobicContact CG1-CG 3.6Å; I418-R471 HydrophobicContact CG2-CB 4.5Å; I418-R471 PolarHBondContact O-NH1 3.49Å
419	G	92.8	Very high	96.5	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.01	13%	0.134	C	C	.	.			trans	84.7	-121.7	176.4	0	0	0	0	0	114.5	V416 S417 D421 G422 M426 G596	V416-G419 PolarHBondContact O-N 3.1Å; S417-G419 PolarHBondContact O-N 3.32Å; G419-D421 VanDerWaalsContact C-N 3.29Å; G419-D421 PolarHBondContact O-N 3.27Å; G419-G422 PolarHBondContact O-N 2.92Å; G419-M426 WeakPolarHBondContact O-CE 3.37Å; G419-G596 CarbonylContact C-O 3.14Å; G419-G596 WeakPolarHBondContact CA-O 3.4Å
420	E	95.1	Very high	96.5	Very high	139 Å²	139	24.9 Å²	24.9	65%	0.65	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.9	-160.8	-65.3	170.7	115.1	0	0	114.4	G422 S595 G596	E420-G422 PolarHBondContact O-N 3.26Å; E420-S595 WeakPolarHBondContact O-CB 3.49Å; E420-G596 PolarHBondContact N-O 3.33Å; E420-G596 VanDerWaalsContact N-O 3.15Å
421	D	92.9	Very high	96.4	Very high	63 Å²	63	24.8 Å²	24.8	34%	0.337	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.9	178.2	-57.1	9.7	0	0	0	111.3	H413 I418 G419 Q425 R471	H413-D421 IonicContact CD2-OD2 3.01Å; I418-D421 HydrophobicContact CD1-CB 3.89Å; I418-D421 HydrophobicContact CG1-CB 4.41Å; G419-D421 VanDerWaalsContact C-N 3.29Å; G419-D421 PolarHBondContact O-N 3.27Å; D421-Q425 HydrophobicContact CB-CB 4.08Å; D421-Q425 HydrophobicContact CB-CG 4.29Å; D421-Q425 PolarHBondContact O-OE1 3.24Å; D421-R471 IonicContact OD1-CZ 3.95Å; D421-R471 IonicContact OD1-NH1 3.68Å; D421-R471 PolarHBondContact OD1-NH1 3.34Å; D421-R471 IonicContact OD1-NH2 3.84Å; D421-R471 IonicContact OD2-CZ 3.21Å; D421-R471 IonicContact OD2-NH1 3.97Å; D421-R471 PolarHBondContact OD2-NH1 3.45Å
422	G	95.5	Very high	96.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.01	15%	0.145	C	C	.	.			trans	87.1	-176.3	173.2	0	0	0	0	0	115.3	G419 E420 S424 Q425 M426	G419-G422 PolarHBondContact O-N 2.92Å; E420-G422 PolarHBondContact O-N 3.26Å; G422-S424 VanDerWaalsContact C-N 3.28Å; G422-S424 PolarHBondContact O-N 3.06Å; G422-S424 VanDerWaalsContact O-N 3.16Å; G422-Q425 PolarHBondContact O-N 3.33Å; G422-Q425 VanDerWaalsContact O-N 3.14Å; G422-M426 WeakPolarHBondContact O-CG 3.42Å; G422-M426 PolarHBondContact O-N 2.86Å
423	P	95.6	Very high	96.4	Very high	55 Å²	55	27 Å²	27	36%	0.357	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.9	-163.7	26	-37.3	0	0	0	114.9	Q425 M426 V592 P593	P423-Q425 PolarHBondContact O-N 3.16Å; P423-M426 PolarHBondContact O-N 2.86Å; P423-V592 HydrophobicContact CB-CG1 4.11Å; P423-V592 HydrophobicContact CG-CG1 4.44Å; P423-P593 WeakPolarHBondContact CB-O 3.28Å; P423-P593 VanDerWaalsContact CG-O 3.26Å; P423-P593 WeakPolarHBondContact CG-O 3.37Å
424	S	96.1	Very high	96.5	Very high	82 Å²	82	26.8 Å²	26.8	57%	0.573	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.9	178.3	52.6	0	0	0	0	113.6	G422	G422-S424 VanDerWaalsContact C-N 3.28Å; G422-S424 PolarHBondContact O-N 3.06Å; G422-S424 VanDerWaalsContact O-N 3.16Å
425	Q	96.5	Very high	96.6	Very high	46 Å²	46	29.3 Å²	29.3	22%	0.215	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-12.6	173	-70	73.3	28.3	0	0	112.7	F386 F389 I418 D421 G422 P423 A427	F386-Q425 HydrophobicContact CD2-CG 4.26Å; F386-Q425 HydrophobicContact CE2-CG 4.34Å; F389-Q425 HydrophobicContact CZ-CG 4.49Å; I418-Q425 VanDerWaalsContact CD1-C 3.48Å; I418-Q425 HydrophobicContact CD1-CB 3.6Å; D421-Q425 HydrophobicContact CB-CB 4.08Å; D421-Q425 HydrophobicContact CB-CG 4.29Å; D421-Q425 PolarHBondContact O-OE1 3.24Å; G422-Q425 PolarHBondContact O-N 3.33Å; G422-Q425 VanDerWaalsContact O-N 3.14Å; P423-Q425 PolarHBondContact O-N 3.16Å; Q425-A427 PolarHBondContact O-N 2.9Å
426	M	97.2	Very high	96.6	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.02	18%	0.181	C	C	.	.			trans	-75.9	116.3	177.7	-68.6	170.4	-175.1	0	0	110	G415 V416 I418 G419 G422 P423 L428 P593 L601	G415-M426 WeakPolarHBondContact O-CG 3.33Å; V416-M426 HydrophobicContact CB-SD 4.19Å; V416-M426 HydrophobicContact CG1-SD 3.97Å; I418-M426 HydrophobicContact CD1-CB 4.2Å; I418-M426 HydrophobicContact CD1-CE 4.34Å; I418-M426 HydrophobicContact CD1-CG 3.37Å; I418-M426 HydrophobicContact CG1-CE 3.86Å; I418-M426 HydrophobicContact CG1-CG 3.6Å; G419-M426 WeakPolarHBondContact O-CE 3.37Å; G422-M426 WeakPolarHBondContact O-CG 3.42Å; G422-M426 PolarHBondContact O-N 2.86Å; P423-M426 PolarHBondContact O-N 2.86Å; M426-L428 HydrophobicContact CB-CD2 4.22Å; M426-L428 HydrophobicContact CB-CG 4.36Å; M426-L428 PolarHBondContact O-N 3Å; M426-P593 HydrophobicContact SD-CB 3.58Å; M426-P593 VanDerWaalsContact SD-CB 3.58Å; M426-P593 HydrophobicContact SD-CG 4Å; M426-L601 HydrophobicContact CE-CD1 3.65Å
427	A	97.8	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-84.2	110.9	172	0	0	0	0	0	110.3	A387 A388 H413 G415 Q425 D430 R468	A387-A427 HydrophobicContact CB-CB 3.23Å; A388-A427 HydrophobicContact CB-CB 4.19Å; A388-A427 VanDerWaalsContact N-CB 3.33Å; H413-A427 PolarHBondContact O-N 3.45Å; G415-A427 WeakPolarHBondContact CA-O 3.36Å; G415-A427 PolarHBondContact N-O 2.69Å; Q425-A427 PolarHBondContact O-N 2.9Å; A427-D430 VanDerWaalsContact C-OD1 3.22Å; A427-D430 HydrophobicContact CB-CB 3.98Å; A427-D430 VanDerWaalsContact CB-OD1 3.29Å; A427-D430 WeakPolarHBondContact CB-OD1 3.15Å; A427-D430 VanDerWaalsContact O-OD1 3.08Å; A427-R468 PolarHBondContact O-NH2 3.33Å
428	L	97.9	Very high	96.8	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.084	22%	0.22	C	C	.	.	S	Bend	trans	-110.3	-24.5	179.3	-51.7	177.8	0	0	0	111.7	V416 M426 H561 A562 I589 P593	V416-L428 HydrophobicContact CG1-CD2 4.01Å; M426-L428 HydrophobicContact CB-CD2 4.22Å; M426-L428 HydrophobicContact CB-CG 4.36Å; M426-L428 PolarHBondContact O-N 3Å; L428-H561 HydrophobicContact CD2-CB 4.46Å; L428-H561 WeakPolarHBondContact O-CB 3.45Å; L428-A562 HydrophobicContact CB-CB 4.31Å; L428-A562 WeakPolarHBondContact O-CB 3.48Å; L428-A562 PolarHBondContact O-N 2.84Å; L428-A562 VanDerWaalsContact O-N 3.12Å; L428-I589 HydrophobicContact CD1-CG2 4.18Å; L428-I589 HydrophobicContact CD2-CG1 4.49Å; L428-P593 HydrophobicContact CD1-CG 3.7Å
429	E	97.6	Very high	97	Very high	103 Å²	103	43 Å²	43	48%	0.481	25%	0.248	S	C	.	.	S	Bend	trans	-105	-10.4	-174.5	-55.1	82	176.7	0	0	112.8	M431 A432 M433	E429-M431 VanDerWaalsContact C-N 3.3Å; E429-M431 PolarHBondContact O-N 3.25Å; E429-A432 PolarHBondContact O-N 2.72Å; E429-A432 VanDerWaalsContact O-N 3.14Å; E429-M433 WeakPolarHBondContact O-CB 3.41Å; E429-M433 PolarHBondContact O-N 2.76Å
430	D	98.4	Very high	97.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-55.7	-43.3	-175.5	60.9	-66.4	0	0	0	112.3	A387 A427 M433 F434 Y466 R468	A387-D430 HydrophobicContact CB-CB 4.09Å; A427-D430 VanDerWaalsContact C-OD1 3.22Å; A427-D430 HydrophobicContact CB-CB 3.98Å; A427-D430 VanDerWaalsContact CB-OD1 3.29Å; A427-D430 WeakPolarHBondContact CB-OD1 3.15Å; A427-D430 VanDerWaalsContact O-OD1 3.08Å; D430-M433 WeakPolarHBondContact O-CB 3.39Å; D430-M433 PolarHBondContact O-N 3.46Å; D430-F434 WeakPolarHBondContact O-CD2 3.24Å; D430-F434 PolarHBondContact O-N 3.15Å; D430-Y466 HydrophobicContact CB-CE1 4.26Å; D430-Y466 WeakPolarHBondContact OD2-CE1 3.37Å; D430-Y466 PolarHBondContact OD2-OH 2.87Å; D430-R468 IonicContact OD1-NE 2.71Å; D430-R468 IonicContact OD1-NH2 2.68Å; D430-R468 VanDerWaalsContact OD2-CD 3.24Å; D430-R468 WeakPolarHBondContact OD2-CD 3.34Å; D430-R468 WeakPolarHBondContact OD2-CG 3.2Å; D430-R468 IonicContact OD2-CZ 2.73Å; D430-R468 IonicContact OD2-NE 3.98Å; D430-R468 PolarHBondContact OD2-NE 2.85Å
431	M	98.2	Very high	97.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-45.7	179.2	-173.5	179.3	-63.8	0	0	111.2	E429 R435 V442 Y444 I536 H561 I567	E429-M431 VanDerWaalsContact C-N 3.3Å; E429-M431 PolarHBondContact O-N 3.25Å; M431-R435 HydrophobicContact CG-CG 4.45Å; M431-R435 VanDerWaalsContact O-CB 3.31Å; M431-R435 WeakPolarHBondContact O-CB 3.48Å; M431-R435 VanDerWaalsContact O-CG 3.22Å; M431-R435 WeakPolarHBondContact O-CG 3.38Å; M431-R435 PolarHBondContact O-N 3.38Å; M431-V442 HydrophobicContact CG-CG1 4.49Å; M431-Y444 HydrophobicContact CE-CD1 3.68Å; M431-Y444 HydrophobicContact CE-CE1 4.07Å; M431-Y444 HydrophobicContact CE-CG 4.21Å; M431-I536 HydrophobicContact CE-CG1 3.98Å; M431-I536 HydrophobicContact CG-CG2 4.47Å; M431-I536 HydrophobicContact SD-CB 4.33Å; M431-I536 HydrophobicContact SD-CG1 3.9Å; M431-I536 HydrophobicContact SD-CG2 3.89Å; M431-H561 WeakPolarHBondContact CE-NE2 3.22Å; M431-H561 VanDerWaalsContact SD-CE1 3.55Å; M431-I567 HydrophobicContact CE-CG1 4.19Å; M431-I567 HydrophobicContact SD-CG1 4.04Å
432	A	98.4	Very high	97.7	Very high	29 Å²	29	34.2 Å²	34.2	24%	0.24	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-45.5	178.5	0	0	0	0	0	111.1	E429 F434 R435 S436 E564	E429-A432 PolarHBondContact O-N 2.72Å; E429-A432 VanDerWaalsContact O-N 3.14Å; A432-F434 PolarHBondContact O-N 3.02Å; A432-R435 PolarHBondContact O-N 3.05Å; A432-S436 WeakPolarHBondContact O-CB 3.28Å; A432-S436 PolarHBondContact O-N 3.27Å; A432-E564 VanDerWaalsContact CB-O 3.28Å; A432-E564 WeakPolarHBondContact CB-O 3.41Å
433	M	98.6	Very high	97.9	Very high	17 Å²	17	34.1 Å²	34.1	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-53.8	-56.2	177.1	-175.3	-178.2	73.1	0	0	110.7	L390 F394 I397 E429 D430 R435 S436	L390-M433 HydrophobicContact CB-CE 3.85Å; F394-M433 HydrophobicContact CB-CG 4.24Å; F394-M433 HydrophobicContact CB-SD 3.67Å; F394-M433 HydrophobicContact CD1-CG 4.19Å; F394-M433 HydrophobicContact CD2-CG 3.09Å; F394-M433 HydrophobicContact CD2-SD 3.62Å; F394-M433 HydrophobicContact CE1-CG 4.36Å; F394-M433 HydrophobicContact CE2-CB 4.44Å; F394-M433 HydrophobicContact CE2-CG 3.32Å; F394-M433 HydrophobicContact CE2-SD 4.43Å; F394-M433 HydrophobicContact CG-CG 3.58Å; F394-M433 HydrophobicContact CG-SD 3.72Å; F394-M433 HydrophobicContact CZ-CG 3.97Å; I397-M433 HydrophobicContact CD1-CE 4.07Å; E429-M433 WeakPolarHBondContact O-CB 3.41Å; E429-M433 PolarHBondContact O-N 2.76Å; D430-M433 WeakPolarHBondContact O-CB 3.39Å; D430-M433 PolarHBondContact O-N 3.46Å; M433-R435 PolarHBondContact O-N 3.47Å; M433-S436 PolarHBondContact O-N 3.11Å; M433-S436 PolarHBondContact O-OG 2.85Å
434	F	98.8	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70.8	-31.9	-179.4	-82.9	-80.2	0	0	0	113.6	L390 I397 F409 D430 A432 S436 V437 S440 V442 I464 Y466	L390-F434 HydrophobicContact CB-CE2 4.42Å; L390-F434 HydrophobicContact CD1-CE2 3.77Å; L390-F434 HydrophobicContact CD1-CZ 3.95Å; I397-F434 HydrophobicContact CD1-CE1 4.02Å; I397-F434 HydrophobicContact CD1-CE2 4.22Å; I397-F434 HydrophobicContact CD1-CZ 3.55Å; I397-F434 HydrophobicContact CG1-CE1 4.47Å; I397-F434 HydrophobicContact CG1-CZ 4.4Å; I397-F434 HydrophobicContact CG2-CD1 4.2Å; I397-F434 HydrophobicContact CG2-CE1 3.74Å; I397-F434 HydrophobicContact CG2-CZ 4.4Å; F409-F434 HydrophobicContact CB-CE1 4.01Å; F409-F434 HydrophobicContact CB-CZ 3.77Å; F409-F434 HydrophobicContact CD1-CZ 4.36Å; F409-F434 AromaticContact CD2-CE1 3.83Å; F409-F434 HydrophobicContact CD2-CE1 3.83Å; F409-F434 HydrophobicContact CD2-CZ 4.3Å; F409-F434 HydrophobicContact CE2-CE1 4.5Å; F409-F434 AromaticContact CG-CE1 3.91Å; F409-F434 HydrophobicContact CG-CE1 3.91Å; F409-F434 AromaticContact CG-CZ 3.89Å; F409-F434 HydrophobicContact CG-CZ 3.89Å; D430-F434 WeakPolarHBondContact O-CD2 3.24Å; D430-F434 PolarHBondContact O-N 3.15Å; A432-F434 PolarHBondContact O-N 3.02Å; F434-S436 VanDerWaalsContact C-N 3.26Å; F434-S436 PolarHBondContact O-N 2.9Å; F434-V437 PolarHBondContact O-N 3.15Å; F434-S440 WeakPolarHBondContact O-CB 3.42Å; F434-S440 PolarHBondContact O-OG 3.03Å; F434-V442 HydrophobicContact CB-CG2 3.89Å; F434-I464 HydrophobicContact CD1-CG2 4.11Å; F434-I464 HydrophobicContact CE1-CG2 4.07Å; F434-Y466 HydrophobicContact CB-CD1 3.87Å; F434-Y466 HydrophobicContact CB-CG 4.02Å; F434-Y466 HydrophobicContact CD1-CD2 4.33Å; F434-Y466 AromaticContact CD1-CG 3.93Å; F434-Y466 HydrophobicContact CD1-CG 3.93Å; F434-Y466 AromaticContact CD2-CD1 3.52Å; F434-Y466 HydrophobicContact CD2-CD1 3.52Å; F434-Y466 AromaticContact CD2-CD2 3.56Å; F434-Y466 HydrophobicContact CD2-CD2 3.56Å; F434-Y466 AromaticContact CD2-CE1 3.88Å; F434-Y466 HydrophobicContact CD2-CE1 3.88Å; F434-Y466 AromaticContact CD2-CE2 3.91Å; F434-Y466 HydrophobicContact CD2-CE2 3.91Å; F434-Y466 AromaticContact CD2-CG 3.37Å; F434-Y466 HydrophobicContact CD2-CG 3.37Å; F434-Y466 HydrophobicContact CE1-CD2 4.13Å; F434-Y466 HydrophobicContact CE1-CG 4.18Å; F434-Y466 HydrophobicContact CE2-CD1 4.18Å; F434-Y466 AromaticContact CE2-CD2 3.34Å; F434-Y466 HydrophobicContact CE2-CD2 3.34Å; F434-Y466 HydrophobicContact CE2-CE1 4.39Å; F434-Y466 AromaticContact CE2-CE2 3.58Å; F434-Y466 HydrophobicContact CE2-CE2 3.58Å; F434-Y466 AromaticContact CE2-CG 3.69Å; F434-Y466 HydrophobicContact CE2-CG 3.69Å; F434-Y466 VanDerWaalsContact CG-CB 3.5Å; F434-Y466 AromaticContact CG-CD1 3.76Å; F434-Y466 HydrophobicContact CG-CD1 3.76Å; F434-Y466 HydrophobicContact CG-CD2 4.05Å; F434-Y466 AromaticContact CG-CG 3.49Å; F434-Y466 HydrophobicContact CG-CG 3.49Å; F434-Y466 VanDerWaalsContact CG-CG 3.49Å; F434-Y466 AromaticContact CZ-CD2 3.64Å; F434-Y466 HydrophobicContact CZ-CD2 3.64Å; F434-Y466 HydrophobicContact CZ-CE2 4.21Å; F434-Y466 HydrophobicContact CZ-CG 4.07Å
435	R	98.4	Very high	98.1	Very high	54 Å²	54	27.8 Å²	27.8	20%	0.204	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-31.6	173.8	-77.4	-176.9	73.7	-140	-6.7	112.6	M431 A432 M433 V437 V442 I536 K537 G565 G566	M431-R435 HydrophobicContact CG-CG 4.45Å; M431-R435 VanDerWaalsContact O-CB 3.31Å; M431-R435 WeakPolarHBondContact O-CB 3.48Å; M431-R435 VanDerWaalsContact O-CG 3.22Å; M431-R435 WeakPolarHBondContact O-CG 3.38Å; M431-R435 PolarHBondContact O-N 3.38Å; A432-R435 PolarHBondContact O-N 3.05Å; M433-R435 PolarHBondContact O-N 3.47Å; R435-V437 VanDerWaalsContact C-N 3.28Å; R435-V437 PolarHBondContact O-N 3.31Å; R435-V442 HydrophobicContact CG-CB 4.44Å; R435-V442 HydrophobicContact CG-CG2 3.99Å; R435-I536 HydrophobicContact CG-CG2 4.49Å; R435-K537 HydrophobicContact CB-CD 4.49Å; R435-K537 HydrophobicContact CG-CB 4.17Å; R435-K537 WeakPolarHBondContact O-CD 3.36Å; R435-K537 PolarHBondContact O-NZ 2.95Å; R435-G565 WeakPolarHBondContact CD-O 3.34Å; R435-G565 PolarHBondContact NH1-O 3.32Å; R435-G566 PolarHBondContact NH1-O 2.99Å
436	S	98.3	Very high	98.2	Very high	73 Å²	73	25.7 Å²	25.7	51%	0.51	15%	0.152	S	C	.	.	H	α-helix	trans	-69.6	-23.7	178.7	78.7	0	0	0	0	113.5	F394 A432 M433 F434 I438	F394-S436 WeakPolarHBondContact CZ-OG 3.24Å; A432-S436 WeakPolarHBondContact O-CB 3.28Å; A432-S436 PolarHBondContact O-N 3.27Å; M433-S436 PolarHBondContact O-N 3.11Å; M433-S436 PolarHBondContact O-OG 2.85Å; F434-S436 VanDerWaalsContact C-N 3.26Å; F434-S436 PolarHBondContact O-N 2.9Å; S436-I438 PolarHBondContact O-N 2.83Å
437	V	98.6	Very high	98.3	Very high	8 Å²	8	25.5 Å²	25.5	5%	0.048	15%	0.151	C	C	.	.	S	Bend	trans	-69.5	120.1	-179.6	178.9	0	0	0	0	110.7	F394 I397 A401 F434 R435 G439 S440 I464 K537	F394-V437 HydrophobicContact CE2-CG2 3.83Å; I397-V437 HydrophobicContact CG2-CG2 3.93Å; A401-V437 HydrophobicContact CB-CG1 3.46Å; A401-V437 VanDerWaalsContact CB-CG1 3.46Å; F434-V437 PolarHBondContact O-N 3.15Å; R435-V437 VanDerWaalsContact C-N 3.28Å; R435-V437 PolarHBondContact O-N 3.31Å; V437-G439 PolarHBondContact O-N 2.95Å; V437-S440 WeakPolarHBondContact O-CB 3.1Å; V437-S440 PolarHBondContact O-N 3.39Å; V437-S440 PolarHBondContact O-OG 3.24Å; V437-I464 HydrophobicContact CG1-CD1 4.19Å; V437-K537 PolarHBondContact O-NZ 3.29Å
438	I	97.3	Very high	98.3	Very high	154 Å²	154	25.5 Å²	25.5	79%	0.79	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	135.2	-179.1	-61.2	173.9	0	0	0	110.5	S436 S440	S436-I438 PolarHBondContact O-N 2.83Å; I438-S440 PolarHBondContact O-N 3.23Å
439	G	96.3	Very high	98.4	Very high	57 Å²	57	24.8 Å²	24.8	59%	0.588	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	0.7	180	0	0	0	0	0	115.8	V437	V437-G439 PolarHBondContact O-N 2.95Å
440	S	98.6	Very high	98.4	Very high	5 Å²	5	19.9 Å²	19.9	4%	0.035	13%	0.125	C	C	.	.			trans	-70.8	150.6	178.9	66	0	0	0	0	113.9	F434 V437 I438 I464 K537	F434-S440 WeakPolarHBondContact O-CB 3.42Å; F434-S440 PolarHBondContact O-OG 3.03Å; V437-S440 WeakPolarHBondContact O-CB 3.1Å; V437-S440 PolarHBondContact O-N 3.39Å; V437-S440 PolarHBondContact O-OG 3.24Å; I438-S440 PolarHBondContact O-N 3.23Å; S440-I464 CarbonylContact C-O 3.46Å; S440-I464 WeakPolarHBondContact CA-O 3.41Å; S440-K537 WeakPolarHBondContact O-CD 3.48Å; S440-K537 VanDerWaalsContact O-CE 3.3Å; S440-K537 WeakPolarHBondContact O-CE 3.4Å; S440-K537 PolarHBondContact OG-NZ 3.44Å
441	T	98.9	Very high	98.5	Very high	13 Å²	13	19.8 Å²	19.8	8%	0.08	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.1	166.2	-59.1	0	0	0	0	109.7	F443 I464 C465 Y466 I486 K537	T441-F443 HydrophobicContact CG2-CD2 4.04Å; T441-F443 HydrophobicContact CG2-CE1 4.37Å; T441-F443 HydrophobicContact CG2-CE2 3.48Å; T441-F443 VanDerWaalsContact CG2-CE2 3.48Å; T441-F443 HydrophobicContact CG2-CZ 3.67Å; T441-I464 PolarHBondContact N-O 3.01Å; T441-C465 CarbonylContact O-C 3.5Å; T441-C465 WeakPolarHBondContact O-CA 3.34Å; T441-Y466 PolarHBondContact O-N 2.92Å; T441-I486 HydrophobicContact CG2-CD1 4.25Å; T441-I486 HydrophobicContact CG2-CG1 4.33Å; T441-I486 HydrophobicContact CG2-CG2 3.86Å; T441-K537 CarbonylContact C-O 3.52Å; T441-K537 VanDerWaalsContact CA-O 3.31Å; T441-K537 WeakPolarHBondContact CA-O 3.5Å
442	V	98.9	Very high	98.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	105.5	-176.8	178.2	0	0	0	0	109.5	M431 F434 R435 Y466 T535 I536 K537	M431-V442 HydrophobicContact CG-CG1 4.49Å; F434-V442 HydrophobicContact CB-CG2 3.89Å; R435-V442 HydrophobicContact CG-CB 4.44Å; R435-V442 HydrophobicContact CG-CG2 3.99Å; V442-Y466 HydrophobicContact CG1-CD1 4.19Å; V442-T535 CarbonylContact O-C 2.98Å; V442-T535 VanDerWaalsContact O-CA 3.22Å; V442-T535 WeakPolarHBondContact O-CA 3.32Å; V442-I536 HydrophobicContact CG1-CB 4.16Å; V442-I536 HydrophobicContact CG1-CG1 4.4Å; V442-I536 PolarHBondContact O-N 3.01Å; V442-K537 HydrophobicContact CB-CB 4.06Å; V442-K537 HydrophobicContact CG2-CB 4.08Å; V442-K537 PolarHBondContact N-O 3.29Å
443	F	98.9	Very high	98.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	135.9	173.5	-59.5	-91.2	0	0	0	110.3	T441 A454 L457 A458 C465 Y466 I467 R468 I486 F534 T535	T441-F443 HydrophobicContact CG2-CD2 4.04Å; T441-F443 HydrophobicContact CG2-CE1 4.37Å; T441-F443 HydrophobicContact CG2-CE2 3.48Å; T441-F443 VanDerWaalsContact CG2-CE2 3.48Å; T441-F443 HydrophobicContact CG2-CZ 3.67Å; F443-A454 HydrophobicContact CB-CB 4.04Å; F443-A454 HydrophobicContact CD1-CB 3.79Å; F443-A454 HydrophobicContact CE1-CB 4.48Å; F443-A454 HydrophobicContact CG-CB 4.01Å; F443-L457 HydrophobicContact CE1-CB 3.86Å; F443-L457 HydrophobicContact CE1-CD1 4.13Å; F443-L457 HydrophobicContact CZ-CB 3.88Å; F443-A458 HydrophobicContact CD2-CB 4.48Å; F443-A458 HydrophobicContact CE2-CB 3.88Å; F443-A458 HydrophobicContact CZ-CB 4.39Å; F443-C465 HydrophobicContact CE2-CB 4.12Å; F443-Y466 PolarHBondContact N-O 3.46Å; F443-I467 HydrophobicContact CB-CG1 4.42Å; F443-I467 HydrophobicContact CD2-CG1 4.16Å; F443-R468 WeakPolarHBondContact O-CB 3.41Å; F443-R468 PolarHBondContact O-N 2.96Å; F443-I486 HydrophobicContact CE1-CD1 4.34Å; F443-I486 HydrophobicContact CE1-CG1 3.7Å; F443-I486 HydrophobicContact CZ-CD1 3.81Å; F443-I486 HydrophobicContact CZ-CG1 3.68Å; F443-F534 HydrophobicContact CD1-CE1 4.2Å; F443-F534 HydrophobicContact CD1-CZ 4.03Å; F443-F534 HydrophobicContact CE1-CE1 4.3Å; F443-F534 HydrophobicContact CE1-CZ 4.32Å; F443-T535 HydrophobicContact CD1-CG2 3.51Å; F443-T535 HydrophobicContact CE1-CG2 3.82Å; F443-T535 HydrophobicContact CG-CG2 4.19Å
444	Y	98.6	Very high	98.5	Very high	3 Å²	3	19.8 Å²	19.8	1%	0.012	12%	0.117	C	C	.	.			trans	-132.4	74.2	168.9	-171	-156.5	0	0	0	109.6	V414 M431 R468 G507 F534 I536 D560 I567	V414-Y444 HydrophobicContact CG2-CE2 4.36Å; M431-Y444 HydrophobicContact CE-CD1 3.68Å; M431-Y444 HydrophobicContact CE-CE1 4.07Å; M431-Y444 HydrophobicContact CE-CG 4.21Å; Y444-R468 HydrophobicContact CD2-CB 3.77Å; Y444-R468 HydrophobicContact CD2-CG 3.86Å; Y444-R468 HydrophobicContact CE2-CB 4.45Å; Y444-R468 HydrophobicContact CE2-CG 4.08Å; Y444-R468 VanDerWaalsContact CE2-NH1 3.32Å; Y444-R468 HydrophobicContact CG-CB 4.35Å; Y444-R468 PolarHBondContact OH-NH1 3.44Å; Y444-G507 VanDerWaalsContact CE1-O 3.27Å; Y444-G507 WeakPolarHBondContact CE1-O 3.4Å; Y444-G507 VanDerWaalsContact CZ-C 3.45Å; Y444-G507 VanDerWaalsContact CZ-O 3.29Å; Y444-G507 PolarHBondContact OH-O 3.11Å; Y444-G507 VanDerWaalsContact OH-O 3.09Å; Y444-F534 CarbonylContact C-O 2.92Å; Y444-F534 PolarHBondContact N-O 3.31Å; Y444-I536 HydrophobicContact CD1-CD1 4.39Å; Y444-D560 PolarHBondContact OH-OD1 2.77Å; Y444-I567 HydrophobicContact CD1-CD1 4.17Å; Y444-I567 HydrophobicContact CE1-CD1 4.06Å
445	P	98.6	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.117	C	C	.	.			trans	-66.7	145.9	-178.5	29.6	-36.2	0	0	0	111.6	T451 A454 I467	P445-T451 WeakPolarHBondContact CB-OG1 3.38Å; P445-T451 HydrophobicContact CG-CG2 4.11Å; P445-T451 WeakPolarHBondContact CG-OG1 3.5Å; P445-A454 HydrophobicContact CB-CB 4.4Å; P445-A454 HydrophobicContact CG-CB 4.31Å; P445-I467 HydrophobicContact CG-CG2 4.17Å
446	S	98.4	Very high	98.5	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.021	11%	0.114	C	C	.	.			trans	-104.1	-10.2	-171.6	-58.6	0	0	0	0	114.5	S450 Q474 G508 D532	S446-S450 PolarHBondContact N-OG 3.02Å; S446-S450 VanDerWaalsContact N-OG 3.15Å; S446-Q474 PolarHBondContact O-OE1 3.46Å; S446-Q474 VanDerWaalsContact O-OE1 3.08Å; S446-G508 PolarHBondContact OG-N 3.38Å; S446-D532 WeakPolarHBondContact CB-OD2 3.18Å; S446-D532 VanDerWaalsContact OG-CG 3.25Å; S446-D532 PolarHBondContact OG-OD1 3.39Å; S446-D532 PolarHBondContact OG-OD2 3.29Å; S446-D532 VanDerWaalsContact OG-OD2 3.14Å
447	D	98.5	Very high	98.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-153.2	-174.3	176.3	77.7	-7.4	0	0	0	112.2	V449 S450 T451 I477 Y478	D447-V449 PolarHBondContact OD1-N 3.3Å; D447-S450 PolarHBondContact N-OG 3.11Å; D447-S450 PolarHBondContact O-OG 3.29Å; D447-S450 VanDerWaalsContact O-OG 3.09Å; D447-S450 WeakPolarHBondContact OD1-CB 3.37Å; D447-S450 PolarHBondContact OD1-N 3.12Å; D447-S450 PolarHBondContact OD1-OG 2.97Å; D447-T451 WeakPolarHBondContact O-CB 3.47Å; D447-T451 PolarHBondContact O-N 3.2Å; D447-T451 PolarHBondContact O-OG1 3.38Å; D447-I477 HydrophobicContact CB-CG1 4.46Å; D447-I477 PolarHBondContact OD2-N 3.03Å; D447-Y478 WeakPolarHBondContact OD1-CD2 3.41Å; D447-Y478 WeakPolarHBondContact OD2-CD2 3.43Å; D447-Y478 PolarHBondContact OD2-N 3.39Å; D447-Y478 VanDerWaalsContact OD2-N 3.1Å
448	A	98.7	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.3	-43.4	-178.2	0	0	0	0	0	113.6	Y306 V312 A317 T451 E452 V476	Y306-A448 HydrophobicContact CD1-CB 4.08Å; Y306-A448 HydrophobicContact CD2-CB 3.71Å; Y306-A448 HydrophobicContact CE1-CB 3.94Å; Y306-A448 HydrophobicContact CE2-CB 3.55Å; Y306-A448 HydrophobicContact CG-CB 3.97Å; V312-A448 HydrophobicContact CB-CB 3.91Å; V312-A448 HydrophobicContact CG1-CB 3.75Å; V312-A448 HydrophobicContact CG2-CB 4.43Å; A317-A448 HydrophobicContact CB-CB 3.76Å; A448-T451 PolarHBondContact O-N 2.92Å; A448-E452 WeakPolarHBondContact O-CG 3.4Å; A448-E452 PolarHBondContact O-N 2.77Å; A448-V476 HydrophobicContact CB-CG2 3.82Å
449	V	98.8	Very high	98.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.2	-51.9	-178.9	174.1	0	0	0	0	110.3	P304 Y306 D447 T451 E452 R453 V476 S479 F484	P304-V449 HydrophobicContact CB-CB 4.41Å; P304-V449 HydrophobicContact CB-CG1 4.32Å; P304-V449 HydrophobicContact CB-CG2 4.1Å; P304-V449 HydrophobicContact CG-CG1 4.11Å; Y306-V449 HydrophobicContact CD2-CG2 3.97Å; D447-V449 PolarHBondContact OD1-N 3.3Å; V449-T451 VanDerWaalsContact C-N 3.25Å; V449-T451 PolarHBondContact O-N 3.37Å; V449-E452 PolarHBondContact O-N 3.31Å; V449-R453 WeakPolarHBondContact O-CG 3.47Å; V449-R453 PolarHBondContact O-N 2.93Å; V449-R453 VanDerWaalsContact O-N 3.13Å; V449-V476 HydrophobicContact CG2-CG1 3.87Å; V449-S479 WeakPolarHBondContact CG1-O 3.39Å; V449-F484 HydrophobicContact CG1-CE2 4.15Å
450	S	98.8	Very high	98.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61.9	-33.9	177.9	57.6	0	0	0	0	111.8	S446 D447 R453 A454 F534	S446-S450 PolarHBondContact N-OG 3.02Å; S446-S450 VanDerWaalsContact N-OG 3.15Å; D447-S450 PolarHBondContact N-OG 3.11Å; D447-S450 PolarHBondContact O-OG 3.29Å; D447-S450 VanDerWaalsContact O-OG 3.09Å; D447-S450 WeakPolarHBondContact OD1-CB 3.37Å; D447-S450 PolarHBondContact OD1-N 3.12Å; D447-S450 PolarHBondContact OD1-OG 2.97Å; S450-R453 PolarHBondContact O-N 3.19Å; S450-A454 WeakPolarHBondContact O-CB 3.49Å; S450-A454 PolarHBondContact O-N 2.69Å; S450-F534 WeakPolarHBondContact O-CE2 3.24Å
451	T	98.9	Very high	98.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-67.6	-45.1	177	-57.5	0	0	0	0	112.2	T314 A317 P445 D447 A448 V449 R453 A454 V455 T469	T314-T451 VanDerWaalsContact CB-OG1 3.26Å; T314-T451 WeakPolarHBondContact CB-OG1 3.3Å; T314-T451 VanDerWaalsContact CG2-OG1 3.3Å; T314-T451 WeakPolarHBondContact CG2-OG1 3.4Å; T314-T451 WeakPolarHBondContact O-CG2 3.34Å; A317-T451 HydrophobicContact CB-CG2 4.09Å; P445-T451 WeakPolarHBondContact CB-OG1 3.38Å; P445-T451 HydrophobicContact CG-CG2 4.11Å; P445-T451 WeakPolarHBondContact CG-OG1 3.5Å; D447-T451 WeakPolarHBondContact O-CB 3.47Å; D447-T451 PolarHBondContact O-N 3.2Å; D447-T451 PolarHBondContact O-OG1 3.38Å; A448-T451 PolarHBondContact O-N 2.92Å; V449-T451 VanDerWaalsContact C-N 3.25Å; V449-T451 PolarHBondContact O-N 3.37Å; T451-R453 VanDerWaalsContact C-N 3.27Å; T451-R453 PolarHBondContact O-N 3.33Å; T451-A454 WeakPolarHBondContact O-CB 3.31Å; T451-A454 PolarHBondContact O-N 3.18Å; T451-V455 PolarHBondContact O-N 3.26Å; T451-V455 VanDerWaalsContact O-N 3.08Å; T451-T469 HydrophobicContact CG2-CG2 4.26Å
452	E	98.8	Very high	98.7	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-63.5	-37.8	177.5	-59.9	-158.6	151.3	0	0	111.9	L300 P304 Y306 T320 A321 R324 A448 V449 V455 E456	L300-E452 HydrophobicContact CD1-CB 4.05Å; P304-E452 VanDerWaalsContact CA-OE2 3.27Å; P304-E452 WeakPolarHBondContact CA-OE2 3.18Å; P304-E452 VanDerWaalsContact CB-OE2 3.28Å; P304-E452 WeakPolarHBondContact CB-OE2 3.03Å; P304-E452 HydrophobicContact CG-CB 4.22Å; P304-E452 WeakPolarHBondContact CG-OE2 3.38Å; Y306-E452 HydrophobicContact CE2-CG 4.07Å; Y306-E452 PolarHBondContact OH-OE1 3.03Å; T320-E452 WeakPolarHBondContact CG2-OE1 3.27Å; A321-E452 HydrophobicContact CB-CB 3.8Å; A321-E452 HydrophobicContact CB-CG 3.86Å; R324-E452 IonicContact CZ-OE2 2.65Å; R324-E452 IonicContact NH1-OE1 3.63Å; R324-E452 PolarHBondContact NH1-OE1 2.77Å; R324-E452 IonicContact NH1-OE2 3.36Å; R324-E452 PolarHBondContact NH1-OE2 3.15Å; A448-E452 WeakPolarHBondContact O-CG 3.4Å; A448-E452 PolarHBondContact O-N 2.77Å; V449-E452 PolarHBondContact O-N 3.31Å; E452-V455 PolarHBondContact O-N 3.47Å; E452-E456 PolarHBondContact O-N 2.97Å; E452-E456 VanDerWaalsContact O-N 3.08Å
453	R	98.8	Very high	98.6	Very high	45 Å²	45	15 Å²	15	17%	0.17	8%	0.084	C	C	.	.	H	α-helix	trans	-66.6	-37.1	174.6	-65.6	-66	-169.2	-169.6	-0.1	112.4	V449 S450 T451 V455 E456 L457 P480 F484	V449-R453 WeakPolarHBondContact O-CG 3.47Å; V449-R453 PolarHBondContact O-N 2.93Å; V449-R453 VanDerWaalsContact O-N 3.13Å; S450-R453 PolarHBondContact O-N 3.19Å; T451-R453 VanDerWaalsContact C-N 3.27Å; T451-R453 PolarHBondContact O-N 3.33Å; R453-V455 VanDerWaalsContact C-N 3.31Å; R453-V455 PolarHBondContact O-N 3.27Å; R453-E456 IonicContact CZ-OE2 3.63Å; R453-E456 IonicContact NH1-OE2 3.97Å; R453-E456 PolarHBondContact NH1-OE2 3.28Å; R453-E456 PolarHBondContact O-N 3.34Å; R453-L457 WeakPolarHBondContact O-CB 3.36Å; R453-L457 VanDerWaalsContact O-CG 3.27Å; R453-L457 WeakPolarHBondContact O-CG 3.49Å; R453-L457 PolarHBondContact O-N 2.73Å; R453-P480 PolarHBondContact NH2-O 2.94Å; R453-F484 HydrophobicContact CB-CB 4.06Å; R453-F484 HydrophobicContact CB-CD2 3.89Å; R453-F484 HydrophobicContact CB-CG 4.16Å; R453-F484 HydrophobicContact CG-CD2 3.76Å; R453-F484 HydrophobicContact CG-CE2 4.38Å
454	A	98.9	Very high	98.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.4	-39.5	173.4	0	0	0	0	0	111.8	F443 P445 S450 T451 L457 A458 I467 F534	F443-A454 HydrophobicContact CB-CB 4.04Å; F443-A454 HydrophobicContact CD1-CB 3.79Å; F443-A454 HydrophobicContact CE1-CB 4.48Å; F443-A454 HydrophobicContact CG-CB 4.01Å; P445-A454 HydrophobicContact CB-CB 4.4Å; P445-A454 HydrophobicContact CG-CB 4.31Å; S450-A454 WeakPolarHBondContact O-CB 3.49Å; S450-A454 PolarHBondContact O-N 2.69Å; T451-A454 WeakPolarHBondContact O-CB 3.31Å; T451-A454 PolarHBondContact O-N 3.18Å; A454-L457 PolarHBondContact O-N 2.91Å; A454-A458 WeakPolarHBondContact O-CB 3.41Å; A454-A458 PolarHBondContact O-N 3.45Å; A454-I467 HydrophobicContact CB-CG2 4.31Å; A454-F534 HydrophobicContact CB-CE2 4.13Å; A454-F534 HydrophobicContact CB-CZ 4.2Å
455	V	98.9	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.3	-45.6	175.3	171.3	0	0	0	0	111.6	Y318 A321 I325 F382 T451 E452 R453 A458 A459 I467	Y318-V455 HydrophobicContact CD2-CG2 3.61Å; Y318-V455 HydrophobicContact CE2-CG2 4.25Å; A321-V455 HydrophobicContact CB-CB 3.7Å; A321-V455 HydrophobicContact CB-CG1 3.78Å; A321-V455 HydrophobicContact CB-CG2 3.88Å; I325-V455 HydrophobicContact CD1-CG1 3.63Å; I325-V455 HydrophobicContact CG1-CG1 4.19Å; F382-V455 HydrophobicContact CE1-CG1 3.95Å; F382-V455 HydrophobicContact CZ-CG1 3.98Å; T451-V455 PolarHBondContact O-N 3.26Å; T451-V455 VanDerWaalsContact O-N 3.08Å; E452-V455 PolarHBondContact O-N 3.47Å; R453-V455 VanDerWaalsContact C-N 3.31Å; R453-V455 PolarHBondContact O-N 3.27Å; V455-A458 PolarHBondContact O-N 3.27Å; V455-A459 WeakPolarHBondContact O-CB 3.43Å; V455-A459 PolarHBondContact O-N 3.24Å; V455-I467 HydrophobicContact CB-CD1 4.39Å; V455-I467 HydrophobicContact CG2-CD1 3.74Å
456	E	98.8	Very high	98.6	Very high	30 Å²	30	15.1 Å²	15.1	14%	0.14	9%	0.085	C	C	.	.	H	α-helix	trans	-61.1	-44.3	175.9	-178.5	175.8	-137.9	0	0	112.1	K299 L300 E452 R453 N460	K299-E456 VanDerWaalsContact CA-OE1 3.23Å; K299-E456 WeakPolarHBondContact CA-OE1 3.13Å; L300-E456 HydrophobicContact CD1-CB 4.31Å; L300-E456 HydrophobicContact CG-CB 4.21Å; L300-E456 HydrophobicContact CG-CG 4.48Å; L300-E456 PolarHBondContact N-OE1 2.98Å; E452-E456 PolarHBondContact O-N 2.97Å; E452-E456 VanDerWaalsContact O-N 3.08Å; R453-E456 IonicContact CZ-OE2 3.63Å; R453-E456 IonicContact NH1-OE2 3.97Å; R453-E456 PolarHBondContact NH1-OE2 3.28Å; R453-E456 PolarHBondContact O-N 3.34Å; E456-N460 PolarHBondContact O-N 2.83Å; E456-N460 PolarHBondContact O-ND2 3.19Å
457	L	98.8	Very high	98.6	Very high	42 Å²	42	15 Å²	15	22%	0.22	8%	0.084	C	C	.	.	H	α-helix	trans	-66.5	-44.5	177.7	-71.9	168.8	0	0	0	111.8	F443 R453 A454 A459 N460 T461 F484 I486 F534	F443-L457 HydrophobicContact CE1-CB 3.86Å; F443-L457 HydrophobicContact CE1-CD1 4.13Å; F443-L457 HydrophobicContact CZ-CB 3.88Å; R453-L457 WeakPolarHBondContact O-CB 3.36Å; R453-L457 VanDerWaalsContact O-CG 3.27Å; R453-L457 WeakPolarHBondContact O-CG 3.49Å; R453-L457 PolarHBondContact O-N 2.73Å; A454-L457 PolarHBondContact O-N 2.91Å; L457-A459 VanDerWaalsContact C-N 3.34Å; L457-A459 PolarHBondContact O-N 2.92Å; L457-N460 CarbonylContact O-C 3.57Å; L457-N460 PolarHBondContact O-N 3.42Å; L457-T461 PolarHBondContact O-N 3.04Å; L457-T461 VanDerWaalsContact O-N 3.17Å; L457-T461 PolarHBondContact O-OG1 3.06Å; L457-F484 HydrophobicContact CD1-CB 4.18Å; L457-I486 HydrophobicContact CB-CD1 4.45Å; L457-I486 HydrophobicContact CB-CG1 4.41Å; L457-I486 HydrophobicContact CD1-CG1 4.44Å; L457-F534 HydrophobicContact CD1-CE1 3.74Å; L457-F534 HydrophobicContact CD1-CZ 3.77Å
458	A	98.9	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59	-45.3	177.7	0	0	0	0	0	111.3	F382 N408 F443 A454 V455 N460 T461 C465 I467	F382-A458 HydrophobicContact CE1-CB 4.47Å; N408-A458 WeakPolarHBondContact OD1-CB 3.33Å; N408-A458 PolarHBondContact OD1-O 2.9Å; F443-A458 HydrophobicContact CD2-CB 4.48Å; F443-A458 HydrophobicContact CE2-CB 3.88Å; F443-A458 HydrophobicContact CZ-CB 4.39Å; A454-A458 WeakPolarHBondContact O-CB 3.41Å; A454-A458 PolarHBondContact O-N 3.45Å; V455-A458 PolarHBondContact O-N 3.27Å; A458-N460 PolarHBondContact O-N 2.86Å; A458-T461 PolarHBondContact O-N 3.28Å; A458-C465 HydrophobicContact CB-CB 3.86Å; A458-I467 HydrophobicContact CB-CD1 3.89Å; A458-I467 HydrophobicContact CB-CG1 4.34Å
459	A	98.7	Very high	98.6	Very high	2 Å²	2	15 Å²	15	2%	0.017	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-23.6	176.2	0	0	0	0	0	114	I298 I325 I380 F382 V455 L457	I298-A459 HydrophobicContact CB-CB 3.94Å; I298-A459 HydrophobicContact CG1-CB 4.15Å; I298-A459 HydrophobicContact CG2-CB 3.82Å; I325-A459 HydrophobicContact CD1-CB 4.11Å; I380-A459 HydrophobicContact CG2-CB 4.08Å; F382-A459 HydrophobicContact CE2-CB 4.14Å; F382-A459 HydrophobicContact CZ-CB 3.94Å; V455-A459 WeakPolarHBondContact O-CB 3.43Å; V455-A459 PolarHBondContact O-N 3.24Å; L457-A459 VanDerWaalsContact C-N 3.34Å; L457-A459 PolarHBondContact O-N 2.92Å
460	N	98.6	Very high	98.6	Very high	43 Å²	43	15.2 Å²	15.2	23%	0.23	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	11.3	-179.4	-66.7	-63.2	0	0	0	113.8	V295 G296 T297 I298 E456 L457 A458	V295-N460 WeakPolarHBondContact CG1-O 3.21Å; G296-N460 WeakPolarHBondContact CA-OD1 3.23Å; G296-N460 PolarHBondContact N-OD1 3.31Å; T297-N460 PolarHBondContact N-OD1 3.05Å; T297-N460 VanDerWaalsContact N-OD1 3.14Å; I298-N460 PolarHBondContact N-OD1 3.4Å; I298-N460 PolarHBondContact O-ND2 3.36Å; E456-N460 PolarHBondContact O-N 2.83Å; E456-N460 PolarHBondContact O-ND2 3.19Å; L457-N460 CarbonylContact O-C 3.57Å; L457-N460 PolarHBondContact O-N 3.42Å; A458-N460 PolarHBondContact O-N 2.86Å
461	T	98.4	Very high	98.4	Very high	23 Å²	23	19.1 Å²	19.1	14%	0.141	10%	0.101	C	C	.	.			trans	-105.2	134	-178.7	-61.5	0	0	0	0	110.6	L457 A458 C465 I486	L457-T461 PolarHBondContact O-N 3.04Å; L457-T461 VanDerWaalsContact O-N 3.17Å; L457-T461 PolarHBondContact O-OG1 3.06Å; A458-T461 PolarHBondContact O-N 3.28Å; T461-C465 VanDerWaalsContact CB-SG 3.54Å; T461-C465 VanDerWaalsContact CG2-SG 3.57Å; T461-I486 HydrophobicContact CG2-CD1 4.14Å; T461-I486 WeakPolarHBondContact OG1-CD1 3.33Å
462	V	97.3	Very high	98.2	Very high	108 Å²	108	20.4 Å²	20.4	66%	0.655	11%	0.109	S	C	*	.	S	Bend	trans	-76.3	136.8	173.1	174.3	0	0	0	0	109.5	V295 N406	V295-V462 HydrophobicContact CG1-CG2 4.12Å; N406-V462 WeakPolarHBondContact OD1-CA 3.26Å; N406-V462 WeakPolarHBondContact OD1-CG1 3.38Å
463	G	97.6	Very high	98.1	Very high	15 Å²	15	24.9 Å²	24.9	16%	0.155	13%	0.133	C	C	.	.	S	Bend	trans	97.4	-163.8	179.7	0	0	0	0	0	113.8	T405 N406 C407	T405-G463 CarbonylContact O-C 3.54Å; T405-G463 VanDerWaalsContact O-CA 3.24Å; T405-G463 WeakPolarHBondContact O-CA 3.14Å; N406-G463 WeakPolarHBondContact CA-O 3.33Å; N406-G463 PolarHBondContact OD1-N 3.39Å; C407-G463 PolarHBondContact N-O 2.95Å
464	I	98.6	Very high	98	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125	-179.5	-71.5	-172.9	0	0	0	110.1	I397 A401 T405 C407 F409 F434 V437 S440 T441	I397-I464 HydrophobicContact CG2-CD1 4.01Å; I397-I464 HydrophobicContact CG2-CG2 4.45Å; I397-I464 WeakPolarHBondContact O-CD1 3.41Å; A401-I464 HydrophobicContact CB-CD1 3.98Å; T405-I464 HydrophobicContact CG2-CD1 4.05Å; T405-I464 HydrophobicContact CG2-CG1 3.76Å; C407-I464 WeakPolarHBondContact O-CA 3.2Å; F409-I464 HydrophobicContact CD2-CG2 3.87Å; F409-I464 HydrophobicContact CE2-CB 4.47Å; F409-I464 HydrophobicContact CE2-CD1 4.3Å; F409-I464 HydrophobicContact CE2-CG1 4.21Å; F409-I464 HydrophobicContact CE2-CG2 3.76Å; F434-I464 HydrophobicContact CD1-CG2 4.11Å; F434-I464 HydrophobicContact CE1-CG2 4.07Å; V437-I464 HydrophobicContact CG1-CD1 4.19Å; S440-I464 CarbonylContact C-O 3.46Å; S440-I464 WeakPolarHBondContact CA-O 3.41Å; T441-I464 PolarHBondContact N-O 3.01Å
465	C	98.9	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.8	172.6	-66.3	0	0	0	0	110.8	C407 N408 F409 T441 F443 A458 T461	C407-C465 PolarHBondContact O-N 3.18Å; N408-C465 CarbonylContact C-O 3.5Å; N408-C465 WeakPolarHBondContact CA-O 3.38Å; N408-C465 WeakPolarHBondContact OD1-CB 3.42Å; F409-C465 WeakPolarHBondContact CD2-O 3.27Å; F409-C465 PolarHBondContact N-O 2.86Å; T441-C465 CarbonylContact O-C 3.5Å; T441-C465 WeakPolarHBondContact O-CA 3.34Å; F443-C465 HydrophobicContact CE2-CB 4.12Å; A458-C465 HydrophobicContact CB-CB 3.86Å; T461-C465 VanDerWaalsContact CB-SG 3.54Å; T461-C465 VanDerWaalsContact CG2-SG 3.57Å
466	Y	98.9	Very high	98	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128	172.5	-180	-124.2	0	0	0	110.9	A387 L390 F409 D430 F434 T441 V442 F443 R468	A387-Y466 WeakPolarHBondContact CB-OH 3.38Å; L390-Y466 HydrophobicContact CD1-CD2 4.44Å; L390-Y466 HydrophobicContact CD1-CE2 3.84Å; F409-Y466 HydrophobicContact CB-CD2 3.99Å; F409-Y466 CarbonylContact O-C 3.23Å; F409-Y466 VanDerWaalsContact O-CA 3.32Å; F409-Y466 WeakPolarHBondContact O-CA 3.43Å; F409-Y466 WeakPolarHBondContact O-CD2 2.99Å; D430-Y466 HydrophobicContact CB-CE1 4.26Å; D430-Y466 WeakPolarHBondContact OD2-CE1 3.37Å; D430-Y466 PolarHBondContact OD2-OH 2.87Å; F434-Y466 HydrophobicContact CB-CD1 3.87Å; F434-Y466 HydrophobicContact CB-CG 4.02Å; F434-Y466 HydrophobicContact CD1-CD2 4.33Å; F434-Y466 AromaticContact CD1-CG 3.93Å; F434-Y466 HydrophobicContact CD1-CG 3.93Å; F434-Y466 AromaticContact CD2-CD1 3.52Å; F434-Y466 HydrophobicContact CD2-CD1 3.52Å; F434-Y466 AromaticContact CD2-CD2 3.56Å; F434-Y466 HydrophobicContact CD2-CD2 3.56Å; F434-Y466 AromaticContact CD2-CE1 3.88Å; F434-Y466 HydrophobicContact CD2-CE1 3.88Å; F434-Y466 AromaticContact CD2-CE2 3.91Å; F434-Y466 HydrophobicContact CD2-CE2 3.91Å; F434-Y466 AromaticContact CD2-CG 3.37Å; F434-Y466 HydrophobicContact CD2-CG 3.37Å; F434-Y466 HydrophobicContact CE1-CD2 4.13Å; F434-Y466 HydrophobicContact CE1-CG 4.18Å; F434-Y466 HydrophobicContact CE2-CD1 4.18Å; F434-Y466 AromaticContact CE2-CD2 3.34Å; F434-Y466 HydrophobicContact CE2-CD2 3.34Å; F434-Y466 HydrophobicContact CE2-CE1 4.39Å; F434-Y466 AromaticContact CE2-CE2 3.58Å; F434-Y466 HydrophobicContact CE2-CE2 3.58Å; F434-Y466 AromaticContact CE2-CG 3.69Å; F434-Y466 HydrophobicContact CE2-CG 3.69Å; F434-Y466 VanDerWaalsContact CG-CB 3.5Å; F434-Y466 AromaticContact CG-CD1 3.76Å; F434-Y466 HydrophobicContact CG-CD1 3.76Å; F434-Y466 HydrophobicContact CG-CD2 4.05Å; F434-Y466 AromaticContact CG-CG 3.49Å; F434-Y466 HydrophobicContact CG-CG 3.49Å; F434-Y466 VanDerWaalsContact CG-CG 3.49Å; F434-Y466 AromaticContact CZ-CD2 3.64Å; F434-Y466 HydrophobicContact CZ-CD2 3.64Å; F434-Y466 HydrophobicContact CZ-CE2 4.21Å; F434-Y466 HydrophobicContact CZ-CG 4.07Å; T441-Y466 PolarHBondContact O-N 2.92Å; V442-Y466 HydrophobicContact CG1-CD1 4.19Å; F443-Y466 PolarHBondContact N-O 3.46Å; Y466-R468 HydrophobicContact CD1-CB 4.36Å; Y466-R468 HydrophobicContact CE1-CB 3.71Å; Y466-R468 HydrophobicContact CE1-CG 4.01Å
467	I	98.9	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	106.2	177.3	-50.1	175.5	0	0	0	107.9	F382 F409 A410 G411 F443 P445 A454 V455 A458 T469	F382-I467 HydrophobicContact CE1-CD1 4.21Å; F409-I467 PolarHBondContact O-N 3.33Å; A410-I467 WeakPolarHBondContact CA-O 3.23Å; G411-I467 PolarHBondContact N-O 3.38Å; G411-I467 VanDerWaalsContact N-O 3.08Å; F443-I467 HydrophobicContact CB-CG1 4.42Å; F443-I467 HydrophobicContact CD2-CG1 4.16Å; P445-I467 HydrophobicContact CG-CG2 4.17Å; A454-I467 HydrophobicContact CB-CG2 4.31Å; V455-I467 HydrophobicContact CB-CD1 4.39Å; V455-I467 HydrophobicContact CG2-CD1 3.74Å; A458-I467 HydrophobicContact CB-CD1 3.89Å; A458-I467 HydrophobicContact CB-CG1 4.34Å; I467-T469 HydrophobicContact CG2-CG2 3.95Å
468	R	98.6	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113	-178.3	-167.7	177.8	-171.9	-101.1	-5.7	110	V414 A427 D430 F443 Y444 Y466 D560 H561	V414-R468 HydrophobicContact CB-CG 3.77Å; V414-R468 HydrophobicContact CG1-CB 4.43Å; V414-R468 HydrophobicContact CG1-CG 3.37Å; V414-R468 HydrophobicContact CG2-CG 3.93Å; A427-R468 PolarHBondContact O-NH2 3.33Å; D430-R468 IonicContact OD1-NE 2.71Å; D430-R468 IonicContact OD1-NH2 2.68Å; D430-R468 VanDerWaalsContact OD2-CD 3.24Å; D430-R468 WeakPolarHBondContact OD2-CD 3.34Å; D430-R468 WeakPolarHBondContact OD2-CG 3.2Å; D430-R468 IonicContact OD2-CZ 2.73Å; D430-R468 IonicContact OD2-NE 3.98Å; D430-R468 PolarHBondContact OD2-NE 2.85Å; F443-R468 WeakPolarHBondContact O-CB 3.41Å; F443-R468 PolarHBondContact O-N 2.96Å; Y444-R468 HydrophobicContact CD2-CB 3.77Å; Y444-R468 HydrophobicContact CD2-CG 3.86Å; Y444-R468 HydrophobicContact CE2-CB 4.45Å; Y444-R468 HydrophobicContact CE2-CG 4.08Å; Y444-R468 VanDerWaalsContact CE2-NH1 3.32Å; Y444-R468 HydrophobicContact CG-CB 4.35Å; Y444-R468 PolarHBondContact OH-NH1 3.44Å; Y466-R468 HydrophobicContact CD1-CB 4.36Å; Y466-R468 HydrophobicContact CE1-CB 3.71Å; Y466-R468 HydrophobicContact CE1-CG 4.01Å; R468-D560 IonicContact CZ-OD1 3.66Å; R468-D560 IonicContact NH1-OD1 3.92Å; R468-D560 PolarHBondContact NH1-OD1 2.83Å; R468-D560 IonicContact NH2-OD1 2.71Å; R468-D560 PolarHBondContact NH2-OD1 3.18Å; R468-H561 VanDerWaalsContact CZ-CD2 3.46Å; R468-H561 PolarHBondContact NH1-CD2 3.21Å; R468-H561 VanDerWaalsContact NH1-CD2 3.31Å; R468-H561 PolarHBondContact NH2-CD2 2.9Å
469	T	98.7	Very high	97.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	15%	0.146	C	C	.	.			trans	-122.8	142.1	-174.6	63.3	0	0	0	0	113.8	G411 S412 H413 V414 T451 I467	G411-T469 PolarHBondContact O-N 2.96Å; G411-T469 PolarHBondContact O-OG1 3.39Å; S412-T469 CarbonylContact C-O 3.52Å; S412-T469 VanDerWaalsContact CA-O 3.31Å; S412-T469 WeakPolarHBondContact CA-O 3.39Å; S412-T469 WeakPolarHBondContact CA-OG1 3.31Å; H413-T469 PolarHBondContact N-O 3.42Å; V414-T469 VanDerWaalsContact CG1-O 3.25Å; V414-T469 WeakPolarHBondContact CG1-O 3.23Å; V414-T469 VanDerWaalsContact CG2-O 3.23Å; V414-T469 WeakPolarHBondContact CG2-O 3.38Å; V414-T469 PolarHBondContact N-O 3.1Å; T451-T469 HydrophobicContact CG2-CG2 4.26Å; I467-T469 HydrophobicContact CG2-CG2 3.95Å
470	G	96.9	Very high	97.8	Very high	4 Å²	4	27 Å²	27	4%	0.041	15%	0.154	C	C	.	.			trans	-96.2	155.4	-176.9	0	0	0	0	0	113.8	T314 R315	T314-G470 PolarHBondContact OG1-N 3.04Å; R315-G470 VanDerWaalsContact CG-O 3.31Å; R315-G470 WeakPolarHBondContact CG-O 3.2Å; R315-G470 PolarHBondContact N-O 2.89Å
471	R	96	Very high	97.8	Very high	82 Å²	82	31.2 Å²	31.2	31%	0.309	17%	0.172	S	C	.	.	S	Bend	trans	-77.4	-46	174.5	-177	-171.6	-179.6	-173.3	10.8	113.8	A313 R315 I418 D421	A313-R471 WeakPolarHBondContact CB-O 3.31Å; R315-R471 PolarHBondContact NE-O 2.88Å; I418-R471 HydrophobicContact CG2-CB 4.5Å; I418-R471 PolarHBondContact O-NH1 3.49Å; D421-R471 IonicContact OD1-CZ 3.95Å; D421-R471 IonicContact OD1-NH1 3.68Å; D421-R471 PolarHBondContact OD1-NH1 3.34Å; D421-R471 IonicContact OD1-NH2 3.84Å; D421-R471 IonicContact OD2-CZ 3.21Å; D421-R471 IonicContact OD2-NH1 3.97Å; D421-R471 PolarHBondContact OD2-NH1 3.45Å
472	P	95.1	Very high	97.7	Very high	27 Å²	27	33 Å²	33	18%	0.175	18%	0.179	C	C	.	.	S	Bend	trans	-65.4	150.4	-176.1	-22.7	35.2	0	0	0	112.6	A313 S417 I509	A313-P472 WeakPolarHBondContact CA-O 3.31Å; A313-P472 WeakPolarHBondContact CB-O 3.41Å; S417-P472 WeakPolarHBondContact O-CG 3.36Å; P472-I509 HydrophobicContact CB-CD1 4.44Å
473	N	96.8	Very high	97.8	Very high	95 Å²	95	32.1 Å²	32.1	51%	0.508	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	136	166.2	-70.2	-22.1	0	0	0	109.5	M311 A313	M311-N473 HydrophobicContact CB-CB 4.16Å; M311-N473 HydrophobicContact CE-CB 4.4Å; A313-N473 WeakPolarHBondContact CB-OD1 3.36Å; A313-N473 PolarHBondContact N-OD1 3.06Å
474	Q	95.8	Very high	97.8	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151	177.8	-67	176.1	25.8	0	0	109.2	V312 S446 G508 I509	V312-Q474 PolarHBondContact N-O 3.34Å; V312-Q474 PolarHBondContact O-N 3.23Å; S446-Q474 PolarHBondContact O-OE1 3.46Å; S446-Q474 VanDerWaalsContact O-OE1 3.08Å; Q474-G508 PolarHBondContact OE1-O 3.01Å; Q474-I509 HydrophobicContact CG-CD1 3.73Å; Q474-I509 VanDerWaalsContact NE2-CA 3.31Å
475	P	98.1	Very high	97.8	Very high	34 Å²	34	35.3 Å²	35.3	22%	0.221	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	136.3	178.3	28.3	-34	0	0	0	110.3	D310 M311 I477 T512	D310-P475 CarbonylContact O-C 3.51Å; D310-P475 WeakPolarHBondContact O-CA 3.4Å; M311-P475 HydrophobicContact SD-CB 3.89Å; P475-I477 HydrophobicContact CG-CG2 4.48Å; P475-I477 PolarHBondContact O-N 3.08Å; P475-T512 HydrophobicContact CG-CG2 4.23Å
476	V	98.7	Very high	97.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.207	C	C	.	.			trans	-67.6	123.4	165.5	173	0	0	0	0	108.7	Y306 K307 I308 G309 D310 V312 A448 V449 Y478	Y306-V476 HydrophobicContact CG-CG2 4.36Å; K307-V476 WeakPolarHBondContact O-CB 3.49Å; I308-V476 WeakPolarHBondContact CA-O 3.43Å; G309-V476 PolarHBondContact N-O 3.41Å; D310-V476 HydrophobicContact CB-CG2 4.21Å; D310-V476 WeakPolarHBondContact O-CG2 3.45Å; D310-V476 PolarHBondContact O-N 2.97Å; V312-V476 HydrophobicContact CG2-CG2 4.32Å; A448-V476 HydrophobicContact CB-CG2 3.82Å; V449-V476 HydrophobicContact CG2-CG1 3.87Å; V476-Y478 WeakPolarHBondContact CG1-O 3.24Å
477	I	98.2	Very high	97.8	Very high	48 Å²	48	38.4 Å²	38.4	25%	0.246	21%	0.212	C	C	.	.			trans	-113.4	-20.3	-177.4	63.6	170.3	0	0	0	112.5	D447 P475 V492 L511 L515	D447-I477 HydrophobicContact CB-CG1 4.46Å; D447-I477 PolarHBondContact OD2-N 3.03Å; P475-I477 HydrophobicContact CG-CG2 4.48Å; P475-I477 PolarHBondContact O-N 3.08Å; I477-V492 HydrophobicContact CD1-CG1 4.11Å; I477-L511 HydrophobicContact CD1-CD2 3.5Å; I477-L511 VanDerWaalsContact CD1-CD2 3.5Å; I477-L515 HydrophobicContact CD1-CD1 4.47Å; I477-L515 HydrophobicContact CG2-CD1 4.31Å
478	Y	98.5	Very high	97.7	Very high	14 Å²	14	42.5 Å²	42.5	6%	0.055	23%	0.231	C	C	.	.	S	Bend	trans	-98.8	149.4	178.9	-60.7	-67.9	0	0	0	111.6	D447 V476 E482 F484 K490 V492 D532	D447-Y478 WeakPolarHBondContact OD1-CD2 3.41Å; D447-Y478 WeakPolarHBondContact OD2-CD2 3.43Å; D447-Y478 PolarHBondContact OD2-N 3.39Å; D447-Y478 VanDerWaalsContact OD2-N 3.1Å; V476-Y478 WeakPolarHBondContact CG1-O 3.24Å; Y478-E482 HydrophobicContact CD1-CG 3.81Å; Y478-E482 HydrophobicContact CG-CG 4.19Å; Y478-F484 HydrophobicContact CD1-CZ 4.1Å; Y478-F484 HydrophobicContact CD2-CE1 4.29Å; Y478-F484 AromaticContact CD2-CZ 3.57Å; Y478-F484 HydrophobicContact CD2-CZ 3.57Å; Y478-F484 HydrophobicContact CE1-CZ 4.31Å; Y478-F484 HydrophobicContact CE2-CE1 4.07Å; Y478-F484 AromaticContact CE2-CZ 3.8Å; Y478-F484 HydrophobicContact CE2-CZ 3.8Å; Y478-F484 HydrophobicContact CG-CE2 4.45Å; Y478-F484 AromaticContact CG-CZ 3.71Å; Y478-F484 HydrophobicContact CG-CZ 3.71Å; Y478-K490 HydrophobicContact CE1-CB 4.14Å; Y478-K490 HydrophobicContact CE1-CG 4.02Å; Y478-K490 WeakPolarHBondContact OH-CB 3.32Å; Y478-V492 HydrophobicContact CE1-CG1 3.96Å; Y478-V492 WeakPolarHBondContact OH-CG1 3.41Å; Y478-D532 VanDerWaalsContact OH-CB 3.25Å; Y478-D532 WeakPolarHBondContact OH-CB 3.42Å; Y478-D532 PolarHBondContact OH-OD2 3.1Å
479	S	98	Very high	97.7	Very high	39 Å²	39	43 Å²	43	27%	0.273	24%	0.236	S	C	.	.			trans	-74.5	154.3	170.5	76.9	0	0	0	0	110.6	V449 E481 E482	V449-S479 WeakPolarHBondContact CG1-O 3.39Å; S479-E481 PolarHBondContact O-N 2.94Å; S479-E481 VanDerWaalsContact O-N 3.09Å; S479-E481 PolarHBondContact OG-OE2 3.35Å; S479-E482 VanDerWaalsContact O-CB 3.24Å; S479-E482 WeakPolarHBondContact O-CB 3.32Å; S479-E482 PolarHBondContact O-N 3.5Å; S479-E482 PolarHBondContact OG-N 3.33Å
480	P	97.9	Very high	97.7	Very high	26 Å²	26	45.2 Å²	45.2	17%	0.169	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-33.3	172.3	-34.8	41.2	0	0	0	115.6	A303 P304 Y306 R453 E482	A303-P480 HydrophobicContact CB-CB 4.06Å; P304-P480 WeakPolarHBondContact CD-O 3.33Å; P304-P480 WeakPolarHBondContact O-CB 3.04Å; P304-P480 WeakPolarHBondContact O-CG 3.38Å; Y306-P480 WeakPolarHBondContact O-CG 3.34Å; R453-P480 PolarHBondContact NH2-O 2.94Å; P480-E482 VanDerWaalsContact C-N 3.34Å
481	E	97.2	Very high	97.8	Very high	131 Å²	131	47.8 Å²	47.8	61%	0.612	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.1	-177.5	-58.3	72.2	-155.1	0	0	113.4	S479 C483	S479-E481 PolarHBondContact O-N 2.94Å; S479-E481 VanDerWaalsContact O-N 3.09Å; S479-E481 PolarHBondContact OG-OE2 3.35Å; E481-C483 PolarHBondContact O-N 2.79Å
482	E	97.9	Very high	97.9	Very high	60 Å²	60	45.9 Å²	45.9	28%	0.28	26%	0.257	S	S	.	.			trans	-58.7	132.4	-179.9	-174.9	60.7	-118.6	0	0	110.8	Y478 S479 P480 F484 K490	Y478-E482 HydrophobicContact CD1-CG 3.81Å; Y478-E482 HydrophobicContact CG-CG 4.19Å; S479-E482 VanDerWaalsContact O-CB 3.24Å; S479-E482 WeakPolarHBondContact O-CB 3.32Å; S479-E482 PolarHBondContact O-N 3.5Å; S479-E482 PolarHBondContact OG-N 3.33Å; P480-E482 VanDerWaalsContact C-N 3.34Å; E482-F484 HydrophobicContact CB-CE2 3.88Å; E482-F484 HydrophobicContact CG-CD2 4.28Å; E482-F484 HydrophobicContact CG-CE2 3.55Å; E482-F484 HydrophobicContact CG-CZ 3.82Å; E482-K490 IonicContact OE1-NZ 3.35Å; E482-K490 PolarHBondContact OE1-NZ 3.46Å
483	C	97.5	Very high	98.1	Very high	90 Å²	90	48.6 Å²	48.6	61%	0.608	26%	0.264	S	S	*	.			trans	-97.9	130.4	-174.8	-70.2	0	0	0	0	110.6	E481 K490	E481-C483 PolarHBondContact O-N 2.79Å; C483-K490 WeakPolarHBondContact O-CE 3.49Å; C483-K490 PolarHBondContact O-NZ 2.94Å
484	F	98.6	Very high	98.1	Very high	14 Å²	14	47.4 Å²	47.4	6%	0.061	26%	0.261	C	S	.	.			trans	-118.3	142.3	179.5	-69.7	-94.7	0	0	0	110.9	V449 R453 L457 Y478 E482 K490 F534	V449-F484 HydrophobicContact CG1-CE2 4.15Å; R453-F484 HydrophobicContact CB-CB 4.06Å; R453-F484 HydrophobicContact CB-CD2 3.89Å; R453-F484 HydrophobicContact CB-CG 4.16Å; R453-F484 HydrophobicContact CG-CD2 3.76Å; R453-F484 HydrophobicContact CG-CE2 4.38Å; L457-F484 HydrophobicContact CD1-CB 4.18Å; Y478-F484 HydrophobicContact CD1-CZ 4.1Å; Y478-F484 HydrophobicContact CD2-CE1 4.29Å; Y478-F484 AromaticContact CD2-CZ 3.57Å; Y478-F484 HydrophobicContact CD2-CZ 3.57Å; Y478-F484 HydrophobicContact CE1-CZ 4.31Å; Y478-F484 HydrophobicContact CE2-CE1 4.07Å; Y478-F484 AromaticContact CE2-CZ 3.8Å; Y478-F484 HydrophobicContact CE2-CZ 3.8Å; Y478-F484 HydrophobicContact CG-CE2 4.45Å; Y478-F484 AromaticContact CG-CZ 3.71Å; Y478-F484 HydrophobicContact CG-CZ 3.71Å; E482-F484 HydrophobicContact CB-CE2 3.88Å; E482-F484 HydrophobicContact CG-CD2 4.28Å; E482-F484 HydrophobicContact CG-CE2 3.55Å; E482-F484 HydrophobicContact CG-CZ 3.82Å; F484-K490 HydrophobicContact CE1-CG 4.41Å; F484-F534 HydrophobicContact CB-CD1 4.36Å; F484-F534 HydrophobicContact CB-CE1 3.7Å; F484-F534 HydrophobicContact CB-CE2 4.26Å; F484-F534 HydrophobicContact CB-CZ 3.65Å; F484-F534 AromaticContact CD1-CD1 3.93Å; F484-F534 HydrophobicContact CD1-CD1 3.93Å; F484-F534 AromaticContact CD1-CD2 3.52Å; F484-F534 HydrophobicContact CD1-CD2 3.52Å; F484-F534 AromaticContact CD1-CE1 3.97Å; F484-F534 HydrophobicContact CD1-CE1 3.97Å; F484-F534 AromaticContact CD1-CE2 3.55Å; F484-F534 HydrophobicContact CD1-CE2 3.55Å; F484-F534 AromaticContact CD1-CG 3.72Å; F484-F534 HydrophobicContact CD1-CG 3.72Å; F484-F534 AromaticContact CD1-CZ 3.79Å; F484-F534 HydrophobicContact CD1-CZ 3.79Å; F484-F534 AromaticContact CE1-CD2 3.93Å; F484-F534 HydrophobicContact CE1-CD2 3.93Å; F484-F534 HydrophobicContact CE1-CE2 4.2Å; F484-F534 HydrophobicContact CE1-CG 4.31Å; F484-F534 HydrophobicContact CG-CD2 4.48Å; F484-F534 HydrophobicContact CG-CE1 4.28Å; F484-F534 HydrophobicContact CG-CE2 4.1Å; F484-F534 AromaticContact CG-CZ 3.99Å; F484-F534 HydrophobicContact CG-CZ 3.99Å
485	C	98.4	Very high	98.1	Very high	72 Å²	72	49.9 Å²	49.9	49%	0.486	28%	0.281	S	S	.	.			trans	-135.4	146	177.2	-63.1	0	0	0	0	109.3	G487 K488	C485-G487 PolarHBondContact O-N 3.5Å; C485-K488 HydrophobicContact CB-CB 4.05Å; C485-K488 HydrophobicContact CB-CG 3.96Å; C485-K488 PolarHBondContact O-N 3.41Å
486	I	98.7	Very high	97.9	Very high	54 Å²	54	49.7 Å²	49.7	28%	0.277	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	134.3	173.1	-65.7	167.3	0	0	0	109.4	T441 F443 L457 T461 K488 P538	T441-I486 HydrophobicContact CG2-CD1 4.25Å; T441-I486 HydrophobicContact CG2-CG1 4.33Å; T441-I486 HydrophobicContact CG2-CG2 3.86Å; F443-I486 HydrophobicContact CE1-CD1 4.34Å; F443-I486 HydrophobicContact CE1-CG1 3.7Å; F443-I486 HydrophobicContact CZ-CD1 3.81Å; F443-I486 HydrophobicContact CZ-CG1 3.68Å; L457-I486 HydrophobicContact CB-CD1 4.45Å; L457-I486 HydrophobicContact CB-CG1 4.41Å; L457-I486 HydrophobicContact CD1-CG1 4.44Å; T461-I486 HydrophobicContact CG2-CD1 4.14Å; T461-I486 WeakPolarHBondContact OG1-CD1 3.33Å; I486-K488 VanDerWaalsContact C-N 3.26Å; I486-K488 PolarHBondContact O-N 2.55Å; I486-P538 HydrophobicContact CG2-CG 3.76Å
487	G	98.5	Very high	97.4	Very high	11 Å²	11	53.1 Å²	53.1	11%	0.113	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	11.9	-179.3	0	0	0	0	0	114.4	C485 T535 D540	C485-G487 PolarHBondContact O-N 3.5Å; G487-T535 WeakPolarHBondContact CA-OG1 3.32Å; G487-T535 PolarHBondContact N-OG1 2.93Å; G487-D540 VanDerWaalsContact O-CA 3.3Å; G487-D540 WeakPolarHBondContact O-CA 3.38Å; G487-D540 VanDerWaalsContact O-CB 3.25Å; G487-D540 WeakPolarHBondContact O-CB 3.35Å
488	K	98.6	Very high	96.9	Very high	87 Å²	87	55.8 Å²	55.8	38%	0.378	34%	0.339	S	S	.	.			trans	-121.5	117	177.1	-63.6	-61.6	179.4	-172.2	0	111.1	C485 I486 D540 E542	C485-K488 HydrophobicContact CB-CB 4.05Å; C485-K488 HydrophobicContact CB-CG 3.96Å; C485-K488 PolarHBondContact O-N 3.41Å; I486-K488 VanDerWaalsContact C-N 3.26Å; I486-K488 PolarHBondContact O-N 2.55Å; K488-D540 WeakPolarHBondContact CA-OD2 3.32Å; K488-E542 IonicContact NZ-OE2 3.75Å; K488-E542 PolarHBondContact NZ-OE2 3.33Å
489	G	98.6	Very high	96.7	Very high	11 Å²	11	56 Å²	56	11%	0.113	35%	0.346	C	S	.	.			trans	-88.8	179.2	176.9	0	0	0	0	0	112	D532 D540	G489-D532 CarbonylContact C-O 3.59Å; G489-D532 VanDerWaalsContact CA-O 3.23Å; G489-D532 WeakPolarHBondContact CA-O 3.42Å; G489-D540 PolarHBondContact N-OD2 2.83Å
490	K	98.6	Very high	96.6	Very high	46 Å²	46	54.5 Å²	54.5	20%	0.2	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134	-179.6	-60.6	-69.5	-178.7	171.4	0	110.7	Y478 E482 C483 F484 V492 I531 D532	Y478-K490 HydrophobicContact CE1-CB 4.14Å; Y478-K490 HydrophobicContact CE1-CG 4.02Å; Y478-K490 WeakPolarHBondContact OH-CB 3.32Å; E482-K490 IonicContact OE1-NZ 3.35Å; E482-K490 PolarHBondContact OE1-NZ 3.46Å; C483-K490 WeakPolarHBondContact O-CE 3.49Å; C483-K490 PolarHBondContact O-NZ 2.94Å; F484-K490 HydrophobicContact CE1-CG 4.41Å; K490-V492 HydrophobicContact CB-CG1 4.13Å; K490-V492 PolarHBondContact O-N 2.8Å; K490-I531 CarbonylContact O-C 3.53Å; K490-I531 VanDerWaalsContact O-CA 3.29Å; K490-I531 WeakPolarHBondContact O-CA 3.44Å; K490-D532 HydrophobicContact CB-CB 4.36Å; K490-D532 PolarHBondContact N-O 2.97Å; K490-D532 PolarHBondContact O-N 2.8Å
491	V	98.4	Very high	96.6	Very high	59 Å²	59	56.4 Å²	56.4	36%	0.358	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	107.3	164.3	-177.4	0	0	0	0	107.2	R493 T494 R529 I531 L543	V491-R493 WeakPolarHBondContact CG1-O 3.3Å; V491-T494 HydrophobicContact CG1-CG2 3.83Å; V491-R529 HydrophobicContact CG1-CG 3.83Å; V491-I531 HydrophobicContact CG2-CG1 4.39Å; V491-L543 HydrophobicContact CG2-CD1 3.67Å
492	V	98.1	Very high	96.6	Very high	41 Å²	41	50.1 Å²	50.1	25%	0.248	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-14.1	-177	-63.1	0	0	0	0	112.9	I477 Y478 K490 L511 L515 V530 D532	I477-V492 HydrophobicContact CD1-CG1 4.11Å; Y478-V492 HydrophobicContact CE1-CG1 3.96Å; Y478-V492 WeakPolarHBondContact OH-CG1 3.41Å; K490-V492 HydrophobicContact CB-CG1 4.13Å; K490-V492 PolarHBondContact O-N 2.8Å; V492-L511 HydrophobicContact CG2-CD1 3.66Å; V492-L511 HydrophobicContact CG2-CG 4.46Å; V492-L515 HydrophobicContact CG2-CD2 3.92Å; V492-L515 HydrophobicContact CG2-CG 4.5Å; V492-V530 HydrophobicContact CG2-CB 3.9Å; V492-V530 HydrophobicContact CG2-CG1 3.71Å; V492-V530 WeakPolarHBondContact CG2-O 3.33Å; V492-V530 PolarHBondContact N-O 2.87Å; V492-D532 HydrophobicContact CG1-CB 4.04Å
493	R	98.1	Very high	96.6	Very high	84 Å²	84	47.3 Å²	47.3	32%	0.317	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	133.8	172.9	-178.3	68.9	166.2	-142.8	-16.6	109.7	V491 L515 A518 D519 R529 V530	V491-R493 WeakPolarHBondContact CG1-O 3.3Å; R493-L515 HydrophobicContact CB-CD2 3.96Å; R493-A518 HydrophobicContact CG-CB 3.98Å; R493-D519 IonicContact CZ-OD1 3.38Å; R493-D519 VanDerWaalsContact CZ-OD1 3.28Å; R493-D519 IonicContact NH1-OD1 2.8Å; R493-D519 PolarHBondContact NH1-OD1 2.78Å; R493-D519 VanDerWaalsContact NH1-OD1 3.14Å; R493-D519 IonicContact NH2-OD1 3.11Å; R493-D519 PolarHBondContact NH2-OD1 3.3Å; R493-R529 WeakPolarHBondContact O-CA 3.48Å; R493-V530 HydrophobicContact CB-CB 3.86Å; R493-V530 HydrophobicContact CB-CG2 3.88Å; R493-V530 HydrophobicContact CG-CG2 4.36Å; R493-V530 PolarHBondContact N-O 2.82Å; R493-V530 PolarHBondContact O-N 2.6Å
494	T	97.8	Very high	96.7	Very high	71 Å²	71	43 Å²	43	44%	0.436	27%	0.27	S	S	.	.			trans	-162.3	146.5	176.1	178	0	0	0	0	110.4	V491 G496 D500	V491-T494 HydrophobicContact CG1-CG2 3.83Å; T494-G496 PolarHBondContact OG1-N 2.86Å; T494-D500 WeakPolarHBondContact CA-OD1 3.4Å; T494-D500 WeakPolarHBondContact CB-OD2 3.32Å; T494-D500 PolarHBondContact OG1-OD2 2.94Å
495	A	96	Very high	96.7	Very high	54 Å²	54	42.3 Å²	42.3	45%	0.446	27%	0.267	S	S	.	.	S	Bend	trans	-100.7	12.2	165.2	0	0	0	0	0	112.2	D500 N527	A495-D500 PolarHBondContact N-OD1 3.36Å; A495-N527 HydrophobicContact CB-CB 3.66Å
496	G	93	Very high	96.7	Very high	31 Å²	31	38.9 Å²	38.9	32%	0.32	24%	0.244	S	C	.	.			trans	90.2	168.9	-174.2	0	0	0	0	0	113.5	T494 A498 G499 D500	T494-G496 PolarHBondContact OG1-N 2.86Å; G496-A498 VanDerWaalsContact C-N 3.28Å; G496-A498 PolarHBondContact O-N 3.46Å; G496-G499 PolarHBondContact O-N 2.94Å; G496-D500 PolarHBondContact O-N 3.08Å
497	S	88.6	Confident	96.7	Very high	72 Å²	72	36.3 Å²	36.3	50%	0.503	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.2	-175.6	53.7	0	0	0	0	114.2
498	A	87.4	Confident	96.6	Very high	104 Å²	104	35.9 Å²	35.9	86%	0.86	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-13.7	177	0	0	0	0	0	113.6	G496	G496-A498 VanDerWaalsContact C-N 3.28Å; G496-A498 PolarHBondContact O-N 3.46Å
499	G	93.8	Very high	96.5	Very high	20 Å²	20	32.6 Å²	32.6	21%	0.206	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-30.5	-173.5	0	0	0	0	0	114.3	G496 N527	G496-G499 PolarHBondContact O-N 2.94Å; G499-N527 WeakPolarHBondContact O-CB 3.47Å; G499-N527 PolarHBondContact O-ND2 3.15Å
500	D	97.2	Very high	96.5	Very high	7 Å²	7	32 Å²	32	4%	0.037	21%	0.207	C	C	.	.			trans	-77.1	125.8	-177.3	-66.2	-31.9	0	0	0	112	T494 A495 G496 R529 T551	T494-D500 WeakPolarHBondContact CA-OD1 3.4Å; T494-D500 WeakPolarHBondContact CB-OD2 3.32Å; T494-D500 PolarHBondContact OG1-OD2 2.94Å; A495-D500 PolarHBondContact N-OD1 3.36Å; G496-D500 PolarHBondContact O-N 3.08Å; D500-R529 HydrophobicContact CB-CB 4.08Å; D500-R529 IonicContact OD2-CZ 3.25Å; D500-R529 IonicContact OD2-NE 2.71Å; D500-R529 PolarHBondContact OD2-NE 3.45Å; D500-R529 IonicContact OD2-NH2 2.87Å; D500-R529 PolarHBondContact OD2-NH2 3.06Å; D500-R529 VanDerWaalsContact OD2-NH2 3.11Å; D500-T551 HydrophobicContact CB-CG2 3.85Å
501	H	97	Very high	96.5	Very high	65 Å²	65	30 Å²	30	30%	0.301	20%	0.198	S	C	.	.			trans	-90	-33.6	-178.7	-57.7	112	0	0	0	113.7	N525 N527 C552 L620	H501-N525 PolarHBondContact CE1-O 2.72Å; H501-N527 WeakPolarHBondContact CB-O 3.41Å; H501-N527 PolarHBondContact N-O 3.22Å; H501-N527 PolarHBondContact ND1-N 2.91Å; H501-N527 VanDerWaalsContact ND1-N 3.17Å; H501-N527 PolarHBondContact ND1-O 2.79Å; H501-N527 VanDerWaalsContact ND1-O 3.16Å; H501-C552 WeakPolarHBondContact O-CB 3.49Å; H501-C552 PolarHBondContact O-N 2.87Å; H501-C552 PolarHBondContact O-SG 3.3Å; H501-L620 HydrophobicContact CB-CD1 3.78Å; H501-L620 HydrophobicContact CB-CD2 3.98Å
502	L	98.1	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	145.8	-174.4	-172.9	79	0	0	0	109.6	V504 I528 R529 C552 K554 L556 V616 L619 L620	L502-V504 HydrophobicContact CD2-CG2 4.31Å; L502-I528 HydrophobicContact CB-CG2 4.21Å; L502-I528 WeakPolarHBondContact O-CA 3.47Å; L502-R529 PolarHBondContact O-N 3.38Å; L502-C552 WeakPolarHBondContact CD1-SG 3.12Å; L502-K554 HydrophobicContact CD1-CB 3.54Å; L502-K554 VanDerWaalsContact CD1-O 3.23Å; L502-K554 WeakPolarHBondContact CD1-O 3.37Å; L502-L556 HydrophobicContact CD2-CB 4.21Å; L502-V616 HydrophobicContact CD2-CB 4.22Å; L502-V616 HydrophobicContact CD2-CG1 4.09Å; L502-V616 HydrophobicContact CD2-CG2 3.84Å; L502-L619 HydrophobicContact CD1-CB 4.41Å; L502-L619 HydrophobicContact CD1-CD1 4.37Å; L502-L619 HydrophobicContact CD2-CB 4.48Å; L502-L619 HydrophobicContact CD2-CD1 3.96Å; L502-L620 HydrophobicContact CB-CD2 4.34Å
503	T	98.6	Very high	96.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.9	169.6	-59.8	0	0	0	0	110.6	V505 R529 I531 A547 T551 V555 L556	T503-V505 HydrophobicContact CG2-CG2 4.25Å; T503-R529 CarbonylContact C-O 3.58Å; T503-I531 HydrophobicContact CG2-CD1 3.6Å; T503-I531 HydrophobicContact CG2-CG1 4.25Å; T503-A547 HydrophobicContact CG2-CB 3.98Å; T503-A547 PolarHBondContact OG1-O 3.11Å; T503-T551 WeakPolarHBondContact OG1-CG2 3.25Å; T503-T551 PolarHBondContact OG1-OG1 3.19Å; T503-T551 VanDerWaalsContact OG1-OG1 3.06Å; T503-V555 HydrophobicContact CG2-CG1 4.38Å; T503-V555 WeakPolarHBondContact O-CA 3.46Å; T503-L556 PolarHBondContact O-N 3.02Å
504	V	98.9	Very high	96.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.8	173.1	-176	0	0	0	0	108.8	L502 A514 I528 R529 V530 I531 L556 V558 V616	L502-V504 HydrophobicContact CD2-CG2 4.31Å; V504-A514 HydrophobicContact CG1-CB 4.07Å; V504-I528 HydrophobicContact CB-CD1 4.37Å; V504-I528 HydrophobicContact CG2-CB 4.23Å; V504-I528 HydrophobicContact CG2-CD1 3.7Å; V504-I528 HydrophobicContact CG2-CG2 4.49Å; V504-R529 PolarHBondContact N-O 2.92Å; V504-V530 CarbonylContact O-C 3.35Å; V504-V530 WeakPolarHBondContact O-CA 3.48Å; V504-I531 PolarHBondContact O-N 3.04Å; V504-L556 CarbonylContact C-O 3.23Å; V504-L556 VanDerWaalsContact CA-O 3.27Å; V504-L556 WeakPolarHBondContact CA-O 3.35Å; V504-L556 HydrophobicContact CG1-CB 4.47Å; V504-L556 HydrophobicContact CG1-CD2 4.46Å; V504-L556 HydrophobicContact CG2-CB 4.2Å; V504-L556 HydrophobicContact CG2-CD2 4.37Å; V504-V558 HydrophobicContact CG1-CG2 4.06Å; V504-V616 HydrophobicContact CG2-CG2 4.22Å
505	V	98.9	Very high	96.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.4	178.2	-170.9	0	0	0	0	108.8	T503 I531 P533 L544 V555 L556 T557 V558 I567 V571	T503-V505 HydrophobicContact CG2-CG2 4.25Å; V505-I531 WeakPolarHBondContact CA-O 3.37Å; V505-I531 HydrophobicContact CG2-CB 4.31Å; V505-P533 HydrophobicContact CG1-CB 4.39Å; V505-P533 HydrophobicContact CG1-CG 4.35Å; V505-L544 HydrophobicContact CG2-CD2 3.78Å; V505-V555 HydrophobicContact CG2-CG1 3.94Å; V505-L556 PolarHBondContact N-O 2.89Å; V505-T557 HydrophobicContact CB-CG2 4.26Å; V505-T557 WeakPolarHBondContact O-CA 3.35Å; V505-V558 PolarHBondContact O-N 3.17Å; V505-I567 HydrophobicContact CG1-CG2 3.92Å; V505-V571 HydrophobicContact CB-CG2 4.4Å; V505-V571 HydrophobicContact CG1-CG2 4.21Å; V505-V571 HydrophobicContact CG2-CG2 4.25Å
506	G	98.5	Very high	96.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	147.3	177.7	0	0	0	0	0	110.3	L511 I531 P533	G506-L511 WeakPolarHBondContact O-CD1 3.42Å; G506-I531 PolarHBondContact N-O 3.09Å; G506-P533 VanDerWaalsContact O-CD 3.25Å; G506-P533 WeakPolarHBondContact O-CD 3.34Å
507	G	97.7	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.136	C	C	.	.			trans	-129.2	159	178.2	0	0	0	0	0	111.3	Y444 I509 T510	Y444-G507 VanDerWaalsContact CE1-O 3.27Å; Y444-G507 WeakPolarHBondContact CE1-O 3.4Å; Y444-G507 VanDerWaalsContact CZ-C 3.45Å; Y444-G507 VanDerWaalsContact CZ-O 3.29Å; Y444-G507 PolarHBondContact OH-O 3.11Å; Y444-G507 VanDerWaalsContact OH-O 3.09Å; G507-I509 PolarHBondContact O-N 3.34Å; G507-T510 PolarHBondContact N-OG1 2.92Å; G507-T510 VanDerWaalsContact N-OG1 3.09Å; G507-T510 PolarHBondContact O-N 3.5Å; G507-T510 PolarHBondContact O-OG1 2.91Å
508	G	96.6	Very high	97.4	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.021	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-131.9	-177.7	0	0	0	0	0	111.7	S446 Q474 T510 L511	S446-G508 PolarHBondContact OG-N 3.38Å; Q474-G508 PolarHBondContact OE1-O 3.01Å; G508-T510 PolarHBondContact O-N 2.85Å; G508-L511 WeakPolarHBondContact O-CB 3.49Å; G508-L511 PolarHBondContact O-N 2.71Å; G508-L511 VanDerWaalsContact O-N 3.14Å
509	I	96.6	Very high	97.9	Very high	17 Å²	17	17.8 Å²	17.8	9%	0.087	9%	0.093	C	C	.	.	H	α-helix	trans	-61.5	-33	-176.7	-166.1	62.4	0	0	0	112.7	P472 Q474 G507 L511 T512 E513 D560 L602	P472-I509 HydrophobicContact CB-CD1 4.44Å; Q474-I509 HydrophobicContact CG-CD1 3.73Å; Q474-I509 VanDerWaalsContact NE2-CA 3.31Å; G507-I509 PolarHBondContact O-N 3.34Å; I509-L511 VanDerWaalsContact C-N 3.25Å; I509-L511 PolarHBondContact O-N 2.96Å; I509-T512 WeakPolarHBondContact O-CB 3.38Å; I509-T512 PolarHBondContact O-N 2.65Å; I509-T512 VanDerWaalsContact O-N 3.15Å; I509-E513 PolarHBondContact O-N 3.45Å; I509-D560 HydrophobicContact CG2-CB 4.06Å; I509-D560 WeakPolarHBondContact CG2-OD2 3.5Å; I509-L602 HydrophobicContact CG1-CD1 4.24Å
510	T	98.2	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-71.4	-21.3	-177.6	64	0	0	0	0	112.8	G507 G508 T512 E513 A514 V558 D560	G507-T510 PolarHBondContact N-OG1 2.92Å; G507-T510 VanDerWaalsContact N-OG1 3.09Å; G507-T510 PolarHBondContact O-N 3.5Å; G507-T510 PolarHBondContact O-OG1 2.91Å; G508-T510 PolarHBondContact O-N 2.85Å; T510-T512 VanDerWaalsContact C-N 3.35Å; T510-E513 PolarHBondContact O-N 3.45Å; T510-A514 WeakPolarHBondContact O-CB 3.27Å; T510-A514 PolarHBondContact O-N 2.94Å; T510-V558 HydrophobicContact CG2-CG1 3.94Å; T510-V558 PolarHBondContact OG1-O 3.02Å; T510-V558 VanDerWaalsContact OG1-O 3.05Å; T510-D560 HydrophobicContact CG2-CB 3.94Å
511	L	98.5	Very high	98.2	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-65.6	-41.3	171.1	-175.1	65.9	0	0	0	111	I477 V492 G506 G508 I509 E513 A514 L515 V530 D532	I477-L511 HydrophobicContact CD1-CD2 3.5Å; I477-L511 VanDerWaalsContact CD1-CD2 3.5Å; V492-L511 HydrophobicContact CG2-CD1 3.66Å; V492-L511 HydrophobicContact CG2-CG 4.46Å; G506-L511 WeakPolarHBondContact O-CD1 3.42Å; G508-L511 WeakPolarHBondContact O-CB 3.49Å; G508-L511 PolarHBondContact O-N 2.71Å; G508-L511 VanDerWaalsContact O-N 3.14Å; I509-L511 VanDerWaalsContact C-N 3.25Å; I509-L511 PolarHBondContact O-N 2.96Å; L511-E513 VanDerWaalsContact C-N 3.33Å; L511-E513 PolarHBondContact O-N 3.13Å; L511-A514 PolarHBondContact O-N 3.14Å; L511-L515 WeakPolarHBondContact O-CG 3.38Å; L511-L515 PolarHBondContact O-N 3.34Å; L511-V530 HydrophobicContact CD1-CG1 3.63Å; L511-D532 HydrophobicContact CD1-CB 4.14Å; L511-D532 HydrophobicContact CD2-CB 3.82Å
512	T	97.5	Very high	98.2	Very high	19 Å²	19	18.1 Å²	18.1	12%	0.117	10%	0.099	C	C	.	.	H	α-helix	trans	-63	-42	177	-62.5	0	0	0	0	110.8	P475 I509 T510 L515 K516	P475-T512 HydrophobicContact CG-CG2 4.23Å; I509-T512 WeakPolarHBondContact O-CB 3.38Å; I509-T512 PolarHBondContact O-N 2.65Å; I509-T512 VanDerWaalsContact O-N 3.15Å; T510-T512 VanDerWaalsContact C-N 3.35Å; T512-L515 PolarHBondContact O-N 2.96Å; T512-K516 WeakPolarHBondContact O-CG 3.47Å; T512-K516 PolarHBondContact O-N 3.44Å; T512-K516 VanDerWaalsContact O-N 3.08Å
513	E	98.5	Very high	98.2	Very high	16 Å²	16	23.6 Å²	23.6	8%	0.075	13%	0.133	C	C	.	.	H	α-helix	trans	-65.7	-37.6	175	-64.4	-54	120	0	0	112.5	I509 T510 L511 K516 A517 L602 A609 I612	I509-E513 PolarHBondContact O-N 3.45Å; T510-E513 PolarHBondContact O-N 3.45Å; L511-E513 VanDerWaalsContact C-N 3.33Å; L511-E513 PolarHBondContact O-N 3.13Å; E513-K516 PolarHBondContact O-N 3.29Å; E513-K516 IonicContact OE1-NZ 2.93Å; E513-K516 PolarHBondContact OE1-NZ 3.1Å; E513-A517 WeakPolarHBondContact O-CB 3.33Å; E513-A517 PolarHBondContact O-N 3.39Å; E513-L602 HydrophobicContact CG-CD1 4.17Å; E513-A609 PolarHBondContact OE2-N 3.43Å; E513-I612 HydrophobicContact CB-CD1 3.81Å
514	A	98.8	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-38.4	175.7	0	0	0	0	0	112.8	V504 T510 L511 A517 A518 V530 I612	V504-A514 HydrophobicContact CG1-CB 4.07Å; T510-A514 WeakPolarHBondContact O-CB 3.27Å; T510-A514 PolarHBondContact O-N 2.94Å; L511-A514 PolarHBondContact O-N 3.14Å; A514-A517 PolarHBondContact O-N 2.89Å; A514-A518 WeakPolarHBondContact O-CB 3.48Å; A514-A518 PolarHBondContact O-N 3.42Å; A514-V530 HydrophobicContact CB-CG1 3.78Å; A514-V530 HydrophobicContact CB-CG2 4.49Å; A514-I612 HydrophobicContact CB-CD1 4.32Å
515	L	98.6	Very high	98	Very high	36 Å²	36	33.8 Å²	33.8	19%	0.188	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-44.8	174.6	-72.3	173.6	0	0	0	111.7	I477 V492 R493 L511 T512 A517 A518 D519 V530	I477-L515 HydrophobicContact CD1-CD1 4.47Å; I477-L515 HydrophobicContact CG2-CD1 4.31Å; V492-L515 HydrophobicContact CG2-CD2 3.92Å; V492-L515 HydrophobicContact CG2-CG 4.5Å; R493-L515 HydrophobicContact CB-CD2 3.96Å; L511-L515 WeakPolarHBondContact O-CG 3.38Å; L511-L515 PolarHBondContact O-N 3.34Å; T512-L515 PolarHBondContact O-N 2.96Å; L515-A517 VanDerWaalsContact C-N 3.32Å; L515-A517 PolarHBondContact O-N 3.34Å; L515-A518 WeakPolarHBondContact O-CB 3.25Å; L515-A518 PolarHBondContact O-N 2.83Å; L515-A518 VanDerWaalsContact O-N 3.11Å; L515-D519 PolarHBondContact O-N 3.18Å; L515-V530 HydrophobicContact CD2-CB 4.48Å; L515-V530 HydrophobicContact CD2-CG1 4.49Å
516	K	98.4	Very high	98	Very high	103 Å²	103	34 Å²	34	45%	0.448	19%	0.186	S	C	.	.	H	α-helix	trans	-57.8	-44.5	173.4	-71	171.5	-175.4	169.3	0	111.6	T512 E513 A518 D519 V520 A609	T512-K516 WeakPolarHBondContact O-CG 3.47Å; T512-K516 PolarHBondContact O-N 3.44Å; T512-K516 VanDerWaalsContact O-N 3.08Å; E513-K516 PolarHBondContact O-N 3.29Å; E513-K516 IonicContact OE1-NZ 2.93Å; E513-K516 PolarHBondContact OE1-NZ 3.1Å; K516-A518 VanDerWaalsContact C-N 3.31Å; K516-A518 PolarHBondContact O-N 3.04Å; K516-D519 PolarHBondContact O-N 3.3Å; K516-V520 PolarHBondContact O-N 3.49Å; K516-V520 VanDerWaalsContact O-N 3.16Å; K516-A609 HydrophobicContact CB-CB 3.7Å; K516-A609 HydrophobicContact CD-CB 4.49Å
517	A	98.7	Very high	97.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-38.8	176	0	0	0	0	0	112	E513 A514 L515 D519 V520 L521 A609 I612 V613	E513-A517 WeakPolarHBondContact O-CB 3.33Å; E513-A517 PolarHBondContact O-N 3.39Å; A514-A517 PolarHBondContact O-N 2.89Å; L515-A517 VanDerWaalsContact C-N 3.32Å; L515-A517 PolarHBondContact O-N 3.34Å; A517-D519 VanDerWaalsContact C-N 3.32Å; A517-D519 PolarHBondContact O-N 3.49Å; A517-V520 PolarHBondContact O-N 3.11Å; A517-L521 WeakPolarHBondContact O-CB 3.36Å; A517-L521 WeakPolarHBondContact O-CD1 3.32Å; A517-L521 VanDerWaalsContact O-CG 3.25Å; A517-L521 WeakPolarHBondContact O-CG 3.32Å; A517-L521 PolarHBondContact O-N 3.2Å; A517-A609 HydrophobicContact CB-CB 4.28Å; A517-I612 HydrophobicContact CB-CB 3.68Å; A517-I612 HydrophobicContact CB-CD1 4.42Å; A517-I612 HydrophobicContact CB-CG2 3.48Å; A517-I612 VanDerWaalsContact CB-CG2 3.48Å; A517-V613 HydrophobicContact CB-CG2 3.94Å
518	A	98.7	Very high	98	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-35.5	176.8	0	0	0	0	0	112.7	R493 A514 L515 K516 A522 I528 V530	R493-A518 HydrophobicContact CG-CB 3.98Å; A514-A518 WeakPolarHBondContact O-CB 3.48Å; A514-A518 PolarHBondContact O-N 3.42Å; L515-A518 WeakPolarHBondContact O-CB 3.25Å; L515-A518 PolarHBondContact O-N 2.83Å; L515-A518 VanDerWaalsContact O-N 3.11Å; K516-A518 VanDerWaalsContact C-N 3.31Å; K516-A518 PolarHBondContact O-N 3.04Å; A518-A522 VanDerWaalsContact O-CB 3.27Å; A518-A522 WeakPolarHBondContact O-CB 3.36Å; A518-A522 PolarHBondContact O-N 2.77Å; A518-I528 HydrophobicContact CB-CD1 3.78Å; A518-I528 HydrophobicContact CB-CG1 3.66Å; A518-V530 HydrophobicContact CB-CG2 4.06Å
519	D	98.5	Very high	98.1	Very high	85 Å²	85	37.2 Å²	37.2	46%	0.455	20%	0.201	S	C	.	.	H	α-helix	trans	-67.8	-45	174.5	-71.9	-29.7	0	0	0	111.7	R493 L515 K516 A517 A522 T523	R493-D519 IonicContact CZ-OD1 3.38Å; R493-D519 VanDerWaalsContact CZ-OD1 3.28Å; R493-D519 IonicContact NH1-OD1 2.8Å; R493-D519 PolarHBondContact NH1-OD1 2.78Å; R493-D519 VanDerWaalsContact NH1-OD1 3.14Å; R493-D519 IonicContact NH2-OD1 3.11Å; R493-D519 PolarHBondContact NH2-OD1 3.3Å; L515-D519 PolarHBondContact O-N 3.18Å; K516-D519 PolarHBondContact O-N 3.3Å; A517-D519 VanDerWaalsContact C-N 3.32Å; A517-D519 PolarHBondContact O-N 3.49Å; D519-A522 PolarHBondContact O-N 2.86Å; D519-T523 WeakPolarHBondContact O-CG2 3.39Å; D519-T523 PolarHBondContact O-N 2.73Å
520	V	98.5	Very high	98.2	Very high	68 Å²	68	36.4 Å²	36.4	41%	0.412	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-49.3	175.6	176	0	0	0	0	110.9	K516 A517 A522 T523 V613	K516-V520 PolarHBondContact O-N 3.49Å; K516-V520 VanDerWaalsContact O-N 3.16Å; A517-V520 PolarHBondContact O-N 3.11Å; V520-A522 VanDerWaalsContact C-N 3.29Å; V520-A522 PolarHBondContact O-N 3.36Å; V520-T523 WeakPolarHBondContact O-CB 3.44Å; V520-T523 PolarHBondContact O-N 3.22Å; V520-T523 VanDerWaalsContact O-N 3.13Å; V520-T523 PolarHBondContact O-OG1 2.71Å; V520-V613 HydrophobicContact CB-CG2 4.09Å; V520-V613 HydrophobicContact CG1-CG2 4.02Å
521	L	98.5	Very high	98.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-33.9	-179.8	-73.5	162.7	0	0	0	112.6	A517 T523 E524 N525 I526 I528 V613 V616 K617	A517-L521 WeakPolarHBondContact O-CB 3.36Å; A517-L521 WeakPolarHBondContact O-CD1 3.32Å; A517-L521 VanDerWaalsContact O-CG 3.25Å; A517-L521 WeakPolarHBondContact O-CG 3.32Å; A517-L521 PolarHBondContact O-N 3.2Å; L521-T523 VanDerWaalsContact C-N 3.28Å; L521-T523 PolarHBondContact O-N 3.09Å; L521-E524 CarbonylContact O-C 3.48Å; L521-E524 WeakPolarHBondContact O-CA 3.23Å; L521-E524 PolarHBondContact O-N 2.76Å; L521-N525 PolarHBondContact O-N 3.24Å; L521-I526 CarbonylContact C-O 3.48Å; L521-I526 VanDerWaalsContact C-O 3.23Å; L521-I526 HydrophobicContact CB-CB 4.05Å; L521-I526 HydrophobicContact CB-CG2 4.35Å; L521-I526 WeakPolarHBondContact CB-O 3.4Å; L521-I526 HydrophobicContact CD2-CB 4.05Å; L521-I526 HydrophobicContact CD2-CD1 4Å; L521-I526 HydrophobicContact CD2-CG2 4Å; L521-I526 WeakPolarHBondContact O-CA 3.36Å; L521-I526 PolarHBondContact O-N 3.37Å; L521-I528 HydrophobicContact CD1-CD1 3.89Å; L521-I528 HydrophobicContact CD1-CG1 4.26Å; L521-I528 HydrophobicContact CD1-CG2 4Å; L521-V613 HydrophobicContact CD1-CG2 4.48Å; L521-V613 HydrophobicContact CD2-CG1 3.95Å; L521-V613 HydrophobicContact CG-CG1 4.37Å; L521-V613 HydrophobicContact CG-CG2 4.11Å; L521-V616 HydrophobicContact CD1-CB 3.91Å; L521-V616 HydrophobicContact CD1-CG1 3.79Å; L521-V616 HydrophobicContact CD1-CG2 3.88Å; L521-V616 HydrophobicContact CD2-CB 4.39Å; L521-V616 HydrophobicContact CD2-CG1 4.1Å; L521-K617 HydrophobicContact CD2-CG 4.29Å
522	A	97.9	Very high	98.2	Very high	31 Å²	31	36.4 Å²	36.4	26%	0.256	20%	0.197	S	C	.	.	H	α-helix	trans	-63	-34	176	0	0	0	0	0	112.4	A518 D519 V520 E524 N525	A518-A522 VanDerWaalsContact O-CB 3.27Å; A518-A522 WeakPolarHBondContact O-CB 3.36Å; A518-A522 PolarHBondContact O-N 2.77Å; D519-A522 PolarHBondContact O-N 2.86Å; V520-A522 VanDerWaalsContact C-N 3.29Å; V520-A522 PolarHBondContact O-N 3.36Å; A522-E524 PolarHBondContact O-N 2.9Å; A522-E524 VanDerWaalsContact O-N 3.16Å; A522-N525 PolarHBondContact O-N 2.87Å
523	T	97.9	Very high	98.3	Very high	114 Å²	114	35.7 Å²	35.7	70%	0.699	19%	0.193	S	C	*	.	H	α-helix	trans	-63.1	-19.4	173.6	73.8	0	0	0	0	113.1	D519 V520 L521	D519-T523 WeakPolarHBondContact O-CG2 3.39Å; D519-T523 PolarHBondContact O-N 2.73Å; V520-T523 WeakPolarHBondContact O-CB 3.44Å; V520-T523 PolarHBondContact O-N 3.22Å; V520-T523 VanDerWaalsContact O-N 3.13Å; V520-T523 PolarHBondContact O-OG1 2.71Å; L521-T523 VanDerWaalsContact C-N 3.28Å; L521-T523 PolarHBondContact O-N 3.09Å
524	E	96.9	Very high	98.3	Very high	81 Å²	81	34.9 Å²	34.9	38%	0.379	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	14.1	176.8	-55	-175.7	-166.9	0	0	112.8	L521 A522 I526 K617	L521-E524 CarbonylContact O-C 3.48Å; L521-E524 WeakPolarHBondContact O-CA 3.23Å; L521-E524 PolarHBondContact O-N 2.76Å; A522-E524 PolarHBondContact O-N 2.9Å; A522-E524 VanDerWaalsContact O-N 3.16Å; E524-I526 HydrophobicContact CB-CD1 4.37Å; E524-I526 HydrophobicContact CB-CG1 4.39Å; E524-I526 PolarHBondContact O-N 3.39Å; E524-K617 WeakPolarHBondContact OE1-CE 3.27Å; E524-K617 IonicContact OE1-NZ 2.83Å; E524-K617 PolarHBondContact OE1-NZ 3.26Å; E524-K617 WeakPolarHBondContact OE2-CE 3.5Å; E524-K617 IonicContact OE2-NZ 2.68Å; E524-K617 PolarHBondContact OE2-NZ 3.03Å
525	N	96.2	Very high	98.3	Very high	134 Å²	134	34.9 Å²	34.9	72%	0.717	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	29	-174	-56.8	-66.9	0	0	0	113.8	H501 L521 A522	H501-N525 PolarHBondContact CE1-O 2.72Å; L521-N525 PolarHBondContact O-N 3.24Å; A522-N525 PolarHBondContact O-N 2.87Å
526	I	97.6	Very high	98.3	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	18%	0.181	C	C	.	.			trans	-105.8	95.2	172.7	-55.7	173	0	0	0	108.1	L521 E524 V616 K617 L620 K622	L521-I526 CarbonylContact C-O 3.48Å; L521-I526 VanDerWaalsContact C-O 3.23Å; L521-I526 HydrophobicContact CB-CB 4.05Å; L521-I526 HydrophobicContact CB-CG2 4.35Å; L521-I526 WeakPolarHBondContact CB-O 3.4Å; L521-I526 HydrophobicContact CD2-CB 4.05Å; L521-I526 HydrophobicContact CD2-CD1 4Å; L521-I526 HydrophobicContact CD2-CG2 4Å; L521-I526 WeakPolarHBondContact O-CA 3.36Å; L521-I526 PolarHBondContact O-N 3.37Å; E524-I526 HydrophobicContact CB-CD1 4.37Å; E524-I526 HydrophobicContact CB-CG1 4.39Å; E524-I526 PolarHBondContact O-N 3.39Å; I526-V616 HydrophobicContact CG2-CG1 4.11Å; I526-K617 HydrophobicContact CD1-CG 4.23Å; I526-L620 HydrophobicContact CG2-CD1 3.63Å; I526-K622 HydrophobicContact CD1-CD 3.64Å; I526-K622 HydrophobicContact CG1-CD 3.98Å
527	N	98.1	Very high	98.3	Very high	54 Å²	54	30.7 Å²	30.7	29%	0.289	17%	0.17	S	C	.	.			trans	-81.3	133.7	172.8	-53.6	-56.7	0	0	0	110.6	A495 G499 H501	A495-N527 HydrophobicContact CB-CB 3.66Å; G499-N527 WeakPolarHBondContact O-CB 3.47Å; G499-N527 PolarHBondContact O-ND2 3.15Å; H501-N527 WeakPolarHBondContact CB-O 3.41Å; H501-N527 PolarHBondContact N-O 3.22Å; H501-N527 PolarHBondContact ND1-N 2.91Å; H501-N527 VanDerWaalsContact ND1-N 3.17Å; H501-N527 PolarHBondContact ND1-O 2.79Å; H501-N527 VanDerWaalsContact ND1-O 3.16Å
528	I	98.4	Very high	98.3	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146	170.1	57.4	166.9	0	0	0	109.8	L502 V504 A518 L521 V530 V616	L502-I528 HydrophobicContact CB-CG2 4.21Å; L502-I528 WeakPolarHBondContact O-CA 3.47Å; V504-I528 HydrophobicContact CB-CD1 4.37Å; V504-I528 HydrophobicContact CG2-CB 4.23Å; V504-I528 HydrophobicContact CG2-CD1 3.7Å; V504-I528 HydrophobicContact CG2-CG2 4.49Å; A518-I528 HydrophobicContact CB-CD1 3.78Å; A518-I528 HydrophobicContact CB-CG1 3.66Å; L521-I528 HydrophobicContact CD1-CD1 3.89Å; L521-I528 HydrophobicContact CD1-CG1 4.26Å; L521-I528 HydrophobicContact CD1-CG2 4Å; I528-V530 HydrophobicContact CD1-CG2 3.93Å; I528-V530 HydrophobicContact CG1-CG2 4.13Å; I528-V616 HydrophobicContact CG2-CG1 3.68Å; I528-V616 HydrophobicContact CG2-CG2 4.2Å
529	R	98.5	Very high	98.3	Very high	11 Å²	11	34.9 Å²	34.9	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.3	168.3	-173.7	172.8	-65.9	-176.1	4.4	108.9	V491 R493 D500 L502 T503 V504 I531 E550	V491-R529 HydrophobicContact CG1-CG 3.83Å; R493-R529 WeakPolarHBondContact O-CA 3.48Å; D500-R529 HydrophobicContact CB-CB 4.08Å; D500-R529 IonicContact OD2-CZ 3.25Å; D500-R529 IonicContact OD2-NE 2.71Å; D500-R529 PolarHBondContact OD2-NE 3.45Å; D500-R529 IonicContact OD2-NH2 2.87Å; D500-R529 PolarHBondContact OD2-NH2 3.06Å; D500-R529 VanDerWaalsContact OD2-NH2 3.11Å; L502-R529 PolarHBondContact O-N 3.38Å; T503-R529 CarbonylContact C-O 3.58Å; V504-R529 PolarHBondContact N-O 2.92Å; R529-I531 HydrophobicContact CG-CG1 4.3Å; R529-E550 IonicContact CZ-OE2 3.38Å; R529-E550 VanDerWaalsContact CZ-OE2 3.25Å; R529-E550 IonicContact NH1-OE2 3.15Å; R529-E550 PolarHBondContact NH1-OE2 3.38Å; R529-E550 IonicContact NH2-OE2 2.77Å; R529-E550 PolarHBondContact NH2-OE2 2.7Å
530	V	98.8	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.3	176.1	-173.4	0	0	0	0	109.5	V492 R493 V504 L511 A514 L515 A518 I528	V492-V530 HydrophobicContact CG2-CB 3.9Å; V492-V530 HydrophobicContact CG2-CG1 3.71Å; V492-V530 WeakPolarHBondContact CG2-O 3.33Å; V492-V530 PolarHBondContact N-O 2.87Å; R493-V530 HydrophobicContact CB-CB 3.86Å; R493-V530 HydrophobicContact CB-CG2 3.88Å; R493-V530 HydrophobicContact CG-CG2 4.36Å; R493-V530 PolarHBondContact N-O 2.82Å; R493-V530 PolarHBondContact O-N 2.6Å; V504-V530 CarbonylContact O-C 3.35Å; V504-V530 WeakPolarHBondContact O-CA 3.48Å; L511-V530 HydrophobicContact CD1-CG1 3.63Å; A514-V530 HydrophobicContact CB-CG1 3.78Å; A514-V530 HydrophobicContact CB-CG2 4.49Å; L515-V530 HydrophobicContact CD2-CB 4.48Å; L515-V530 HydrophobicContact CD2-CG1 4.49Å; A518-V530 HydrophobicContact CB-CG2 4.06Å; I528-V530 HydrophobicContact CD1-CG2 3.93Å; I528-V530 HydrophobicContact CG1-CG2 4.13Å
531	I	98.8	Very high	98.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.2	-179.5	-62.8	177.5	0	0	0	109.8	K490 V491 T503 V504 V505 G506 R529 L543 L544 A547	K490-I531 CarbonylContact O-C 3.53Å; K490-I531 VanDerWaalsContact O-CA 3.29Å; K490-I531 WeakPolarHBondContact O-CA 3.44Å; V491-I531 HydrophobicContact CG2-CG1 4.39Å; T503-I531 HydrophobicContact CG2-CD1 3.6Å; T503-I531 HydrophobicContact CG2-CG1 4.25Å; V504-I531 PolarHBondContact O-N 3.04Å; V505-I531 WeakPolarHBondContact CA-O 3.37Å; V505-I531 HydrophobicContact CG2-CB 4.31Å; G506-I531 PolarHBondContact N-O 3.09Å; R529-I531 HydrophobicContact CG-CG1 4.3Å; I531-L543 HydrophobicContact CD1-CG 4.26Å; I531-L543 HydrophobicContact CG2-CD2 3.91Å; I531-L544 HydrophobicContact CD1-CD2 4.31Å; I531-A547 HydrophobicContact CD1-CB 3.56Å
532	D	98.8	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.5	163	-177	-4.7	0	0	0	108.4	S446 Y478 G489 K490 V492 L511 F534	S446-D532 WeakPolarHBondContact CB-OD2 3.18Å; S446-D532 VanDerWaalsContact OG-CG 3.25Å; S446-D532 PolarHBondContact OG-OD1 3.39Å; S446-D532 PolarHBondContact OG-OD2 3.29Å; S446-D532 VanDerWaalsContact OG-OD2 3.14Å; Y478-D532 VanDerWaalsContact OH-CB 3.25Å; Y478-D532 WeakPolarHBondContact OH-CB 3.42Å; Y478-D532 PolarHBondContact OH-OD2 3.1Å; G489-D532 CarbonylContact C-O 3.59Å; G489-D532 VanDerWaalsContact CA-O 3.23Å; G489-D532 WeakPolarHBondContact CA-O 3.42Å; K490-D532 HydrophobicContact CB-CB 4.36Å; K490-D532 PolarHBondContact N-O 2.97Å; K490-D532 PolarHBondContact O-N 2.8Å; V492-D532 HydrophobicContact CG1-CB 4.04Å; L511-D532 HydrophobicContact CD1-CB 4.14Å; L511-D532 HydrophobicContact CD2-CB 3.82Å; D532-F534 VanDerWaalsContact C-N 3.29Å; D532-F534 PolarHBondContact O-N 2.78Å; D532-F534 PolarHBondContact OD1-N 3.36Å
533	P	98.7	Very high	98.3	Very high	4 Å²	4	36 Å²	36	3%	0.026	19%	0.193	C	C	.	.			trans	-70	-26.4	-179.1	29.1	-34.6	0	0	0	112.7	V505 G506 T535 I536 I539	V505-P533 HydrophobicContact CG1-CB 4.39Å; V505-P533 HydrophobicContact CG1-CG 4.35Å; G506-P533 VanDerWaalsContact O-CD 3.25Å; G506-P533 WeakPolarHBondContact O-CD 3.34Å; P533-T535 PolarHBondContact O-N 3.11Å; P533-I536 HydrophobicContact CB-CD1 3.84Å; P533-I536 HydrophobicContact CG-CD1 3.54Å; P533-I539 HydrophobicContact CB-CD1 4.41Å; P533-I539 HydrophobicContact CB-CG1 4.42Å
534	F	98.7	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	57.1	-47.8	-171.6	179.3	-115.5	0	0	0	115.9	F443 Y444 S450 A454 L457 F484 D532	F443-F534 HydrophobicContact CD1-CE1 4.2Å; F443-F534 HydrophobicContact CD1-CZ 4.03Å; F443-F534 HydrophobicContact CE1-CE1 4.3Å; F443-F534 HydrophobicContact CE1-CZ 4.32Å; Y444-F534 CarbonylContact C-O 2.92Å; Y444-F534 PolarHBondContact N-O 3.31Å; S450-F534 WeakPolarHBondContact O-CE2 3.24Å; A454-F534 HydrophobicContact CB-CE2 4.13Å; A454-F534 HydrophobicContact CB-CZ 4.2Å; L457-F534 HydrophobicContact CD1-CE1 3.74Å; L457-F534 HydrophobicContact CD1-CZ 3.77Å; F484-F534 HydrophobicContact CB-CD1 4.36Å; F484-F534 HydrophobicContact CB-CE1 3.7Å; F484-F534 HydrophobicContact CB-CE2 4.26Å; F484-F534 HydrophobicContact CB-CZ 3.65Å; F484-F534 AromaticContact CD1-CD1 3.93Å; F484-F534 HydrophobicContact CD1-CD1 3.93Å; F484-F534 AromaticContact CD1-CD2 3.52Å; F484-F534 HydrophobicContact CD1-CD2 3.52Å; F484-F534 AromaticContact CD1-CE1 3.97Å; F484-F534 HydrophobicContact CD1-CE1 3.97Å; F484-F534 AromaticContact CD1-CE2 3.55Å; F484-F534 HydrophobicContact CD1-CE2 3.55Å; F484-F534 AromaticContact CD1-CG 3.72Å; F484-F534 HydrophobicContact CD1-CG 3.72Å; F484-F534 AromaticContact CD1-CZ 3.79Å; F484-F534 HydrophobicContact CD1-CZ 3.79Å; F484-F534 AromaticContact CE1-CD2 3.93Å; F484-F534 HydrophobicContact CE1-CD2 3.93Å; F484-F534 HydrophobicContact CE1-CE2 4.2Å; F484-F534 HydrophobicContact CE1-CG 4.31Å; F484-F534 HydrophobicContact CG-CD2 4.48Å; F484-F534 HydrophobicContact CG-CE1 4.28Å; F484-F534 HydrophobicContact CG-CE2 4.1Å; F484-F534 AromaticContact CG-CZ 3.99Å; F484-F534 HydrophobicContact CG-CZ 3.99Å; D532-F534 VanDerWaalsContact C-N 3.29Å; D532-F534 PolarHBondContact O-N 2.78Å; D532-F534 PolarHBondContact OD1-N 3.36Å
535	T	98.8	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.5	169.3	54.6	0	0	0	0	110.6	V442 F443 G487 P533 P538	V442-T535 CarbonylContact O-C 2.98Å; V442-T535 VanDerWaalsContact O-CA 3.22Å; V442-T535 WeakPolarHBondContact O-CA 3.32Å; F443-T535 HydrophobicContact CD1-CG2 3.51Å; F443-T535 HydrophobicContact CE1-CG2 3.82Å; F443-T535 HydrophobicContact CG-CG2 4.19Å; G487-T535 WeakPolarHBondContact CA-OG1 3.32Å; G487-T535 PolarHBondContact N-OG1 2.93Å; P533-T535 PolarHBondContact O-N 3.11Å; T535-P538 CarbonylContact C-O 3.59Å; T535-P538 VanDerWaalsContact CB-O 3.29Å; T535-P538 WeakPolarHBondContact CB-O 3.21Å; T535-P538 PolarHBondContact OG1-O 2.9Å
536	I	98.7	Very high	98.4	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-25.1	177.4	-46.9	-54.2	0	0	0	111	M431 R435 V442 Y444 P533 I567 A570	M431-I536 HydrophobicContact CE-CG1 3.98Å; M431-I536 HydrophobicContact CG-CG2 4.47Å; M431-I536 HydrophobicContact SD-CB 4.33Å; M431-I536 HydrophobicContact SD-CG1 3.9Å; M431-I536 HydrophobicContact SD-CG2 3.89Å; R435-I536 HydrophobicContact CG-CG2 4.49Å; V442-I536 HydrophobicContact CG1-CB 4.16Å; V442-I536 HydrophobicContact CG1-CG1 4.4Å; V442-I536 PolarHBondContact O-N 3.01Å; Y444-I536 HydrophobicContact CD1-CD1 4.39Å; P533-I536 HydrophobicContact CB-CD1 3.84Å; P533-I536 HydrophobicContact CG-CD1 3.54Å; I536-I567 HydrophobicContact CD1-CD1 4.5Å; I536-I567 HydrophobicContact CD1-CG1 4.02Å; I536-A570 HydrophobicContact CG2-CB 3.63Å
537	K	98.7	Very high	98.4	Very high	48 Å²	48	26.5 Å²	26.5	21%	0.209	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	115.3	172.5	-177.2	-178.8	172.7	-174.6	0	109.2	R435 V437 S440 T441 V442	R435-K537 HydrophobicContact CB-CD 4.49Å; R435-K537 HydrophobicContact CG-CB 4.17Å; R435-K537 WeakPolarHBondContact O-CD 3.36Å; R435-K537 PolarHBondContact O-NZ 2.95Å; V437-K537 PolarHBondContact O-NZ 3.29Å; S440-K537 WeakPolarHBondContact O-CD 3.48Å; S440-K537 VanDerWaalsContact O-CE 3.3Å; S440-K537 WeakPolarHBondContact O-CE 3.4Å; S440-K537 PolarHBondContact OG-NZ 3.44Å; T441-K537 CarbonylContact C-O 3.52Å; T441-K537 VanDerWaalsContact CA-O 3.31Å; T441-K537 WeakPolarHBondContact CA-O 3.5Å; V442-K537 HydrophobicContact CB-CB 4.06Å; V442-K537 HydrophobicContact CG2-CB 4.08Å; V442-K537 PolarHBondContact N-O 3.29Å
538	P	98.6	Very high	98.3	Very high	63 Å²	63	23.9 Å²	23.9	41%	0.409	12%	0.123	S	C	.	.	S	Bend	cis	-63	152.2	-15.6	28.6	-33.8	0	0	0	111.7	I486 T535	I486-P538 HydrophobicContact CG2-CG 3.76Å; T535-P538 CarbonylContact C-O 3.59Å; T535-P538 VanDerWaalsContact CB-O 3.29Å; T535-P538 WeakPolarHBondContact CB-O 3.21Å; T535-P538 PolarHBondContact OG1-O 2.9Å
539	I	98.7	Very high	98.1	Very high	27 Å²	27	30.8 Å²	30.8	14%	0.138	15%	0.153	C	C	.	.			trans	-98.7	151	169.2	-162.8	167.3	0	0	0	109.4	P533 A541 L544 A570 V571 A574	P533-I539 HydrophobicContact CB-CD1 4.41Å; P533-I539 HydrophobicContact CB-CG1 4.42Å; I539-A541 PolarHBondContact O-N 2.88Å; I539-L544 HydrophobicContact CD1-CD1 3.73Å; I539-L544 HydrophobicContact CG1-CD1 3.81Å; I539-L544 HydrophobicContact CG2-CD1 4.32Å; I539-A570 HydrophobicContact CB-CB 4.48Å; I539-A570 HydrophobicContact CD1-CB 3.77Å; I539-A570 HydrophobicContact CG2-CB 4.4Å; I539-V571 HydrophobicContact CD1-CG2 3.78Å; I539-A574 HydrophobicContact CG2-CB 3.68Å
540	D	98.7	Very high	97.9	Very high	14 Å²	14	33.3 Å²	33.3	8%	0.075	17%	0.165	C	C	.	.			trans	-73.5	84	-178.5	-165.9	-19	0	0	0	112.3	G487 K488 G489 E542 L543 L544	G487-D540 VanDerWaalsContact O-CA 3.3Å; G487-D540 WeakPolarHBondContact O-CA 3.38Å; G487-D540 VanDerWaalsContact O-CB 3.25Å; G487-D540 WeakPolarHBondContact O-CB 3.35Å; K488-D540 WeakPolarHBondContact CA-OD2 3.32Å; G489-D540 PolarHBondContact N-OD2 2.83Å; D540-E542 VanDerWaalsContact C-N 3.3Å; D540-E542 PolarHBondContact O-N 2.84Å; D540-E542 PolarHBondContact OD1-N 2.96Å; D540-L543 HydrophobicContact CB-CB 3.94Å; D540-L543 HydrophobicContact CB-CD2 4.48Å; D540-L543 PolarHBondContact O-N 3.45Å; D540-L543 WeakPolarHBondContact OD1-CB 3.48Å; D540-L543 PolarHBondContact OD1-N 2.93Å; D540-L543 VanDerWaalsContact OD2-CB 3.31Å; D540-L543 WeakPolarHBondContact OD2-CB 3.37Å; D540-L544 WeakPolarHBondContact O-CB 3.45Å; D540-L544 VanDerWaalsContact O-CG 3.26Å; D540-L544 WeakPolarHBondContact O-CG 3.32Å; D540-L544 PolarHBondContact O-N 3.03Å
541	A	98.5	Very high	97.7	Very high	27 Å²	27	34.3 Å²	34.3	22%	0.223	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-35.5	-177.5	0	0	0	0	0	112.9	I539 A545 A574	I539-A541 PolarHBondContact O-N 2.88Å; A541-A545 WeakPolarHBondContact O-CB 3.34Å; A541-A545 PolarHBondContact O-N 3.37Å; A541-A574 HydrophobicContact CB-CB 3.88Å
542	E	98.3	Very high	97.4	Very high	135 Å²	135	36.6 Å²	36.6	63%	0.631	19%	0.186	S	C	*	.	H	α-helix	trans	-67.6	-47.8	179.6	-66.6	175.8	162.2	0	0	111.2	K488 D540 A545 K546	K488-E542 IonicContact NZ-OE2 3.75Å; K488-E542 PolarHBondContact NZ-OE2 3.33Å; D540-E542 VanDerWaalsContact C-N 3.3Å; D540-E542 PolarHBondContact O-N 2.84Å; D540-E542 PolarHBondContact OD1-N 2.96Å; E542-A545 PolarHBondContact O-N 3.02Å; E542-K546 WeakPolarHBondContact O-CB 3.46Å; E542-K546 PolarHBondContact O-N 2.75Å
543	L	98.3	Very high	97.1	Very high	31 Å²	31	39 Å²	39	16%	0.162	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-47.5	176.6	174	61	0	0	0	111.2	V491 I531 D540 K546 A547	V491-L543 HydrophobicContact CG2-CD1 3.67Å; I531-L543 HydrophobicContact CD1-CG 4.26Å; I531-L543 HydrophobicContact CG2-CD2 3.91Å; D540-L543 HydrophobicContact CB-CB 3.94Å; D540-L543 HydrophobicContact CB-CD2 4.48Å; D540-L543 PolarHBondContact O-N 3.45Å; D540-L543 WeakPolarHBondContact OD1-CB 3.48Å; D540-L543 PolarHBondContact OD1-N 2.93Å; D540-L543 VanDerWaalsContact OD2-CB 3.31Å; D540-L543 WeakPolarHBondContact OD2-CB 3.37Å; L543-K546 PolarHBondContact O-N 2.69Å; L543-A547 WeakPolarHBondContact O-CB 3.07Å; L543-A547 PolarHBondContact O-N 3.13Å
544	L	98.5	Very high	97	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-48.8	178.7	-70.5	171.5	0	0	0	110.9	V505 I531 I539 D540 K546 A547 V548 V571 A574 L575	V505-L544 HydrophobicContact CG2-CD2 3.78Å; I531-L544 HydrophobicContact CD1-CD2 4.31Å; I539-L544 HydrophobicContact CD1-CD1 3.73Å; I539-L544 HydrophobicContact CG1-CD1 3.81Å; I539-L544 HydrophobicContact CG2-CD1 4.32Å; D540-L544 WeakPolarHBondContact O-CB 3.45Å; D540-L544 VanDerWaalsContact O-CG 3.26Å; D540-L544 WeakPolarHBondContact O-CG 3.32Å; D540-L544 PolarHBondContact O-N 3.03Å; L544-K546 VanDerWaalsContact C-N 3.3Å; L544-K546 PolarHBondContact O-N 2.77Å; L544-A547 PolarHBondContact O-N 2.89Å; L544-V548 WeakPolarHBondContact O-CB 3.5Å; L544-V548 VanDerWaalsContact O-CG2 3.24Å; L544-V548 WeakPolarHBondContact O-CG2 3.47Å; L544-V548 PolarHBondContact O-N 3.4Å; L544-V571 HydrophobicContact CD1-CB 4.45Å; L544-V571 HydrophobicContact CD1-CG1 4.49Å; L544-V571 HydrophobicContact CD1-CG2 4.01Å; L544-V571 HydrophobicContact CD2-CG2 4.23Å; L544-A574 HydrophobicContact CD1-CB 4.18Å; L544-L575 HydrophobicContact CB-CD2 4.07Å
545	A	97.7	Very high	97	Very high	10 Å²	10	42.5 Å²	42.5	8%	0.083	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-42.3	178.8	0	0	0	0	0	112	A541 E542 K549 C578 I580	A541-A545 WeakPolarHBondContact O-CB 3.34Å; A541-A545 PolarHBondContact O-N 3.37Å; E542-A545 PolarHBondContact O-N 3.02Å; A545-K549 WeakPolarHBondContact O-CB 3.18Å; A545-K549 VanDerWaalsContact O-CG 3.29Å; A545-K549 WeakPolarHBondContact O-CG 3.49Å; A545-K549 PolarHBondContact O-N 2.76Å; A545-K549 VanDerWaalsContact O-N 3.17Å; A545-C578 HydrophobicContact CB-CB 4.03Å; A545-I580 HydrophobicContact CB-CD1 4.05Å; A545-I580 HydrophobicContact CB-CG1 3.83Å
546	K	96.6	Very high	97	Very high	122 Å²	122	42.5 Å²	42.5	53%	0.53	22%	0.218	S	C	.	.	H	α-helix	trans	-62.8	-49.6	175.3	-178.3	179.1	176.9	-178.1	0	111.5	E542 L543 L544 V548 K549 E550	E542-K546 WeakPolarHBondContact O-CB 3.46Å; E542-K546 PolarHBondContact O-N 2.75Å; L543-K546 PolarHBondContact O-N 2.69Å; L544-K546 VanDerWaalsContact C-N 3.3Å; L544-K546 PolarHBondContact O-N 2.77Å; K546-V548 VanDerWaalsContact C-N 3.34Å; K546-V548 PolarHBondContact O-N 2.81Å; K546-K549 PolarHBondContact O-N 3.31Å; K546-E550 WeakPolarHBondContact CE-OE1 3.47Å; K546-E550 HydrophobicContact CG-CG 4.5Å; K546-E550 WeakPolarHBondContact CG-OE1 3.43Å; K546-E550 WeakPolarHBondContact O-CG 3.42Å; K546-E550 PolarHBondContact O-N 2.85Å
547	A	97.1	Very high	97	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-41.1	-178.3	0	0	0	0	0	113.3	T503 I531 L543 L544 E550 T551	T503-A547 HydrophobicContact CG2-CB 3.98Å; T503-A547 PolarHBondContact OG1-O 3.11Å; I531-A547 HydrophobicContact CD1-CB 3.56Å; L543-A547 WeakPolarHBondContact O-CB 3.07Å; L543-A547 PolarHBondContact O-N 3.13Å; L544-A547 PolarHBondContact O-N 2.89Å; A547-E550 PolarHBondContact O-N 2.71Å; A547-T551 WeakPolarHBondContact O-CB 3.49Å; A547-T551 WeakPolarHBondContact O-CG2 3.47Å; A547-T551 PolarHBondContact O-N 2.95Å; A547-T551 VanDerWaalsContact O-N 3.13Å; A547-T551 PolarHBondContact O-OG1 3.24Å
548	V	95.8	Very high	97	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.8	-34.9	-179.4	178.4	0	0	0	0	112.3	L544 K546 S553 V555 L575 I580 H582	L544-V548 WeakPolarHBondContact O-CB 3.5Å; L544-V548 VanDerWaalsContact O-CG2 3.24Å; L544-V548 WeakPolarHBondContact O-CG2 3.47Å; L544-V548 PolarHBondContact O-N 3.4Å; K546-V548 VanDerWaalsContact C-N 3.34Å; K546-V548 PolarHBondContact O-N 2.81Å; V548-S553 PolarHBondContact O-N 2.86Å; V548-V555 HydrophobicContact CB-CG2 4.33Å; V548-V555 HydrophobicContact CG1-CG2 4.13Å; V548-V555 HydrophobicContact CG2-CG2 3.22Å; V548-L575 HydrophobicContact CB-CD2 4.04Å; V548-L575 HydrophobicContact CG1-CD2 4.49Å; V548-L575 HydrophobicContact CG2-CD1 3.91Å; V548-L575 HydrophobicContact CG2-CD2 3.75Å; V548-L575 HydrophobicContact CG2-CG 4.5Å; V548-I580 HydrophobicContact CB-CG2 4.33Å; V548-I580 HydrophobicContact CG1-CG2 3.86Å; V548-H582 HydrophobicContact CG1-CB 4.12Å
549	K	94.6	Very high	97	Very high	147 Å²	147	37.1 Å²	37.1	64%	0.639	19%	0.188	S	C	*	.	H	α-helix	trans	-67	-38	173.1	-76.5	-178.3	-170.8	-177.7	0	112.9	A545 K546 T551 I580	A545-K549 WeakPolarHBondContact O-CB 3.18Å; A545-K549 VanDerWaalsContact O-CG 3.29Å; A545-K549 WeakPolarHBondContact O-CG 3.49Å; A545-K549 PolarHBondContact O-N 2.76Å; A545-K549 VanDerWaalsContact O-N 3.17Å; K546-K549 PolarHBondContact O-N 3.31Å; K549-T551 VanDerWaalsContact C-N 3.32Å; K549-I580 HydrophobicContact CD-CD1 4.27Å; K549-I580 HydrophobicContact CG-CD1 4.25Å
550	E	95.2	Very high	96.9	Very high	65 Å²	65	35.9 Å²	35.9	30%	0.304	18%	0.182	S	C	.	.	H	α-helix	trans	-79.9	-15	-178.3	-70.9	175.6	179.9	0	0	113.1	R529 K546 A547	R529-E550 IonicContact CZ-OE2 3.38Å; R529-E550 VanDerWaalsContact CZ-OE2 3.25Å; R529-E550 IonicContact NH1-OE2 3.15Å; R529-E550 PolarHBondContact NH1-OE2 3.38Å; R529-E550 IonicContact NH2-OE2 2.77Å; R529-E550 PolarHBondContact NH2-OE2 2.7Å; K546-E550 WeakPolarHBondContact CE-OE1 3.47Å; K546-E550 HydrophobicContact CG-CG 4.5Å; K546-E550 WeakPolarHBondContact CG-OE1 3.43Å; K546-E550 WeakPolarHBondContact O-CG 3.42Å; K546-E550 PolarHBondContact O-N 2.85Å; A547-E550 PolarHBondContact O-N 2.71Å
551	T	94.9	Very high	96.9	Very high	20 Å²	20	35.2 Å²	35.2	12%	0.123	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-148.4	176.5	56.2	0	0	0	0	110.5	D500 T503 A547 K549 S553	D500-T551 HydrophobicContact CB-CG2 3.85Å; T503-T551 WeakPolarHBondContact OG1-CG2 3.25Å; T503-T551 PolarHBondContact OG1-OG1 3.19Å; T503-T551 VanDerWaalsContact OG1-OG1 3.06Å; A547-T551 WeakPolarHBondContact O-CB 3.49Å; A547-T551 WeakPolarHBondContact O-CG2 3.47Å; A547-T551 PolarHBondContact O-N 2.95Å; A547-T551 VanDerWaalsContact O-N 3.13Å; A547-T551 PolarHBondContact O-OG1 3.24Å; K549-T551 VanDerWaalsContact C-N 3.32Å; T551-S553 PolarHBondContact O-N 3.05Å
552	C	90.9	Very high	96.9	Very high	50 Å²	50	34.8 Å²	34.8	34%	0.338	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	23.6	-175.5	65.3	0	0	0	0	115.2	H501 L502 K554	H501-C552 WeakPolarHBondContact O-CB 3.49Å; H501-C552 PolarHBondContact O-N 2.87Å; H501-C552 PolarHBondContact O-SG 3.3Å; L502-C552 WeakPolarHBondContact CD1-SG 3.12Å; C552-K554 PolarHBondContact O-N 3.15Å
553	S	93.6	Very high	96.9	Very high	51 Å²	51	28.5 Å²	28.5	36%	0.357	15%	0.146	S	C	.	.	S	Bend	trans	58.5	12	-174.1	-57.3	0	0	0	0	115	V548 T551 H582 T583	V548-S553 PolarHBondContact O-N 2.86Å; T551-S553 PolarHBondContact O-N 3.05Å; S553-H582 CarbonylContact O-C 3.48Å; S553-H582 WeakPolarHBondContact O-CA 3.37Å; S553-T583 PolarHBondContact O-N 3.03Å
554	K	96.5	Very high	96.8	Very high	77 Å²	77	33 Å²	33	34%	0.335	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.4	172.7	-59.1	177.5	-173.2	-178.5	0	108.7	L502 C552 T583 L619	L502-K554 HydrophobicContact CD1-CB 3.54Å; L502-K554 VanDerWaalsContact CD1-O 3.23Å; L502-K554 WeakPolarHBondContact CD1-O 3.37Å; C552-K554 PolarHBondContact O-N 3.15Å; K554-T583 CarbonylContact C-O 3.29Å; K554-T583 WeakPolarHBondContact CA-O 3.32Å; K554-L619 HydrophobicContact CD-CB 4.27Å; K554-L619 HydrophobicContact CD-CD2 4.14Å; K554-L619 WeakPolarHBondContact CD-O 3.42Å; K554-L619 PolarHBondContact NZ-O 3.32Å
555	V	98.3	Very high	96.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.8	178.6	-167.8	0	0	0	0	108.9	T503 V505 V548 T557 V571 L575 T583 V584 Q585	T503-V555 HydrophobicContact CG2-CG1 4.38Å; T503-V555 WeakPolarHBondContact O-CA 3.46Å; V505-V555 HydrophobicContact CG2-CG1 3.94Å; V548-V555 HydrophobicContact CB-CG2 4.33Å; V548-V555 HydrophobicContact CG1-CG2 4.13Å; V548-V555 HydrophobicContact CG2-CG2 3.22Å; V555-T557 HydrophobicContact CG1-CG2 4.46Å; V555-V571 HydrophobicContact CG1-CG1 4.14Å; V555-L575 HydrophobicContact CG2-CD1 3.96Å; V555-T583 PolarHBondContact N-O 2.58Å; V555-V584 WeakPolarHBondContact O-CA 3.45Å; V555-Q585 PolarHBondContact O-N 3.24Å
556	L	98.8	Very high	96.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.7	168.1	-175.8	65.6	0	0	0	108.5	L502 T503 V504 V505 V558 Q585 L587 I612 A615 V616 L619	L502-L556 HydrophobicContact CD2-CB 4.21Å; T503-L556 PolarHBondContact O-N 3.02Å; V504-L556 CarbonylContact C-O 3.23Å; V504-L556 VanDerWaalsContact CA-O 3.27Å; V504-L556 WeakPolarHBondContact CA-O 3.35Å; V504-L556 HydrophobicContact CG1-CB 4.47Å; V504-L556 HydrophobicContact CG1-CD2 4.46Å; V504-L556 HydrophobicContact CG2-CB 4.2Å; V504-L556 HydrophobicContact CG2-CD2 4.37Å; V505-L556 PolarHBondContact N-O 2.89Å; L556-V558 HydrophobicContact CG-CG2 4.37Å; L556-Q585 CarbonylContact C-O 3.54Å; L556-Q585 WeakPolarHBondContact CA-O 3.4Å; L556-Q585 HydrophobicContact CD1-CB 3.91Å; L556-Q585 HydrophobicContact CD1-CG 3.76Å; L556-L587 HydrophobicContact CD1-CD1 4.27Å; L556-L587 HydrophobicContact CD1-CD2 4.46Å; L556-L587 HydrophobicContact CD1-CG 3.9Å; L556-L587 HydrophobicContact CD2-CD1 4.3Å; L556-I612 HydrophobicContact CD2-CG2 3.95Å; L556-A615 HydrophobicContact CD1-CB 3.89Å; L556-A615 HydrophobicContact CD2-CB 3.83Å; L556-V616 HydrophobicContact CD2-CG2 3.93Å; L556-L619 HydrophobicContact CB-CD1 4.18Å; L556-L619 HydrophobicContact CD1-CD1 4.22Å
557	T	98.8	Very high	96.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.2	166.4	63.5	0	0	0	0	109.9	V505 V555 I567 G568 V571 V584 Q585 R586 L587	V505-T557 HydrophobicContact CB-CG2 4.26Å; V505-T557 WeakPolarHBondContact O-CA 3.35Å; V555-T557 HydrophobicContact CG1-CG2 4.46Å; T557-I567 HydrophobicContact CG2-CG2 4.28Å; T557-G568 WeakPolarHBondContact OG1-CA 3.3Å; T557-V571 HydrophobicContact CG2-CB 4.17Å; T557-V571 HydrophobicContact CG2-CG1 4.38Å; T557-V571 HydrophobicContact CG2-CG2 3.99Å; T557-V584 HydrophobicContact CG2-CG1 3.95Å; T557-Q585 PolarHBondContact N-O 2.76Å; T557-R586 WeakPolarHBondContact OG1-CG 3.32Å; T557-L587 PolarHBondContact O-N 3.11Å
558	V	98.8	Very high	97	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.1	177.5	-166.4	0	0	0	0	107.6	V504 V505 T510 L556 L587 I607 I612	V504-V558 HydrophobicContact CG1-CG2 4.06Å; V505-V558 PolarHBondContact O-N 3.17Å; T510-V558 HydrophobicContact CG2-CG1 3.94Å; T510-V558 PolarHBondContact OG1-O 3.02Å; T510-V558 VanDerWaalsContact OG1-O 3.05Å; L556-V558 HydrophobicContact CG-CG2 4.37Å; V558-L587 WeakPolarHBondContact CA-O 3.3Å; V558-L587 HydrophobicContact CG1-CB 4.31Å; V558-L587 HydrophobicContact CG2-CD1 4.39Å; V558-I607 HydrophobicContact CG1-CB 4.11Å; V558-I607 HydrophobicContact CG1-CG2 4.4Å; V558-I612 HydrophobicContact CB-CD1 4.49Å; V558-I612 HydrophobicContact CG1-CD1 4.01Å; V558-I612 HydrophobicContact CG1-CG1 4.22Å; V558-I612 HydrophobicContact CG2-CD1 3.9Å; V558-I612 HydrophobicContact CG2-CG1 3.84Å
559	E	98.2	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.			trans	-145	131.6	-171.5	39	-168	169.1	0	0	110.3	H561 G566 I567 G568 L587 A588	E559-H561 WeakPolarHBondContact CB-NE2 3.47Å; E559-H561 PolarHBondContact O-N 3.13Å; E559-H561 IonicContact OE2-CE1 3.19Å; E559-H561 PolarHBondContact OE2-CE1 3.02Å; E559-H561 IonicContact OE2-ND1 2.69Å; E559-H561 IonicContact OE2-NE2 3.56Å; E559-G566 WeakPolarHBondContact OE2-CA 3.5Å; E559-I567 HydrophobicContact CB-CD1 4.27Å; E559-I567 HydrophobicContact CB-CG1 4.45Å; E559-I567 PolarHBondContact OE2-N 2.91Å; E559-G568 PolarHBondContact OE2-N 3.07Å; E559-L587 WeakPolarHBondContact CG-O 3.47Å; E559-L587 PolarHBondContact N-O 2.81Å; E559-A588 HydrophobicContact CG-CB 3.63Å; E559-A588 WeakPolarHBondContact O-CA 3.38Å
560	D	97.7	Very high	97.3	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.129	C	C	.	.	S	Bend	trans	-90	19.8	-177.1	71.6	-18.1	0	0	0	113.3	G415 V416 Y444 R468 I509 T510 I589 I607	G415-D560 CarbonylContact C-O 3.57Å; G415-D560 WeakPolarHBondContact CA-O 3.38Å; V416-D560 HydrophobicContact CG2-CB 4.29Å; V416-D560 PolarHBondContact N-O 2.9Å; Y444-D560 PolarHBondContact OH-OD1 2.77Å; R468-D560 IonicContact CZ-OD1 3.66Å; R468-D560 IonicContact NH1-OD1 3.92Å; R468-D560 PolarHBondContact NH1-OD1 2.83Å; R468-D560 IonicContact NH2-OD1 2.71Å; R468-D560 PolarHBondContact NH2-OD1 3.18Å; I509-D560 HydrophobicContact CG2-CB 4.06Å; I509-D560 WeakPolarHBondContact CG2-OD2 3.5Å; T510-D560 HydrophobicContact CG2-CB 3.94Å; D560-I589 VanDerWaalsContact C-CG1 3.44Å; D560-I589 WeakPolarHBondContact O-CG1 3.14Å; D560-I607 HydrophobicContact CB-CD1 3.84Å
561	H	98.1	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-138.4	-176.5	-174.2	56.5	77.2	0	0	0	111.8	L428 M431 R468 E559 I589	L428-H561 HydrophobicContact CD2-CB 4.46Å; L428-H561 WeakPolarHBondContact O-CB 3.45Å; M431-H561 WeakPolarHBondContact CE-NE2 3.22Å; M431-H561 VanDerWaalsContact SD-CE1 3.55Å; R468-H561 VanDerWaalsContact CZ-CD2 3.46Å; R468-H561 PolarHBondContact NH1-CD2 3.21Å; R468-H561 VanDerWaalsContact NH1-CD2 3.31Å; R468-H561 PolarHBondContact NH2-CD2 2.9Å; E559-H561 WeakPolarHBondContact CB-NE2 3.47Å; E559-H561 PolarHBondContact O-N 3.13Å; E559-H561 IonicContact OE2-CE1 3.19Å; E559-H561 PolarHBondContact OE2-CE1 3.02Å; E559-H561 IonicContact OE2-ND1 2.69Å; E559-H561 IonicContact OE2-NE2 3.56Å; H561-I589 WeakPolarHBondContact O-CB 3.4Å; H561-I589 PolarHBondContact O-N 2.96Å
562	A	97.8	Very high	97.6	Very high	18 Å²	18	20.5 Å²	20.5	15%	0.149	12%	0.119	C	C	.	.			trans	-62.2	140.3	177.8	0	0	0	0	0	110.5	L428 E564	L428-A562 HydrophobicContact CB-CB 4.31Å; L428-A562 WeakPolarHBondContact O-CB 3.48Å; L428-A562 PolarHBondContact O-N 2.84Å; L428-A562 VanDerWaalsContact O-N 3.12Å; A562-E564 VanDerWaalsContact C-N 3.35Å
563	P	97.8	Very high	98	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.019	12%	0.119	C	C	.	.	S	Bend	trans	-71.6	-28.1	-179.1	25.3	-31.7	0	0	0	113	G565 G566 A588 I589	P563-G565 PolarHBondContact O-N 3.48Å; P563-G566 PolarHBondContact O-N 3.5Å; P563-G566 VanDerWaalsContact O-N 3.09Å; P563-A588 HydrophobicContact CB-CB 3.72Å; P563-A588 HydrophobicContact CG-CB 4.11Å; P563-I589 WeakPolarHBondContact CD-O 3.42Å
564	E	97.8	Very high	98.2	Very high	125 Å²	125	17.8 Å²	17.8	58%	0.584	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	120.7	179.6	-66.6	71.9	-155.3	0	0	110.4	A432 A562 G566	A432-E564 VanDerWaalsContact CB-O 3.28Å; A432-E564 WeakPolarHBondContact CB-O 3.41Å; A562-E564 VanDerWaalsContact C-N 3.35Å; E564-G566 PolarHBondContact O-N 3.34Å
565	G	97.7	Very high	98.3	Very high	18 Å²	18	14.1 Å²	14.1	19%	0.186	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	10	-174.3	0	0	0	0	0	113.7	R435 P563 D569	R435-G565 WeakPolarHBondContact CD-O 3.34Å; R435-G565 PolarHBondContact NH1-O 3.32Å; P563-G565 PolarHBondContact O-N 3.48Å; G565-D569 PolarHBondContact N-OD2 2.71Å
566	G	98.3	Very high	98.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-79.9	-161.5	180	0	0	0	0	0	115.4	R435 E559 P563 E564 G568 D569 A570	R435-G566 PolarHBondContact NH1-O 2.99Å; E559-G566 WeakPolarHBondContact OE2-CA 3.5Å; P563-G566 PolarHBondContact O-N 3.5Å; P563-G566 VanDerWaalsContact O-N 3.09Å; E564-G566 PolarHBondContact O-N 3.34Å; G566-G568 VanDerWaalsContact C-N 3.34Å; G566-D569 PolarHBondContact O-N 2.92Å; G566-A570 PolarHBondContact O-N 3.09Å
567	I	98.6	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-43.6	175.5	-56.9	-179.8	0	0	0	109.5	M431 Y444 V505 I536 T557 E559 D569 A570 V571	M431-I567 HydrophobicContact CE-CG1 4.19Å; M431-I567 HydrophobicContact SD-CG1 4.04Å; Y444-I567 HydrophobicContact CD1-CD1 4.17Å; Y444-I567 HydrophobicContact CE1-CD1 4.06Å; V505-I567 HydrophobicContact CG1-CG2 3.92Å; I536-I567 HydrophobicContact CD1-CD1 4.5Å; I536-I567 HydrophobicContact CD1-CG1 4.02Å; T557-I567 HydrophobicContact CG2-CG2 4.28Å; E559-I567 HydrophobicContact CB-CD1 4.27Å; E559-I567 HydrophobicContact CB-CG1 4.45Å; E559-I567 PolarHBondContact OE2-N 2.91Å; I567-D569 VanDerWaalsContact C-N 3.32Å; I567-D569 PolarHBondContact O-N 3.09Å; I567-A570 PolarHBondContact O-N 2.71Å; I567-A570 VanDerWaalsContact O-N 3.14Å; I567-V571 HydrophobicContact CG2-CG2 4.14Å; I567-V571 WeakPolarHBondContact O-CG2 3.26Å; I567-V571 PolarHBondContact O-N 3.07Å
568	G	98.6	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57	-42.2	179.7	0	0	0	0	0	113.4	T557 E559 G566 S572	T557-G568 WeakPolarHBondContact OG1-CA 3.3Å; E559-G568 PolarHBondContact OE2-N 3.07Å; G566-G568 VanDerWaalsContact C-N 3.34Å; G568-S572 VanDerWaalsContact O-CB 3.28Å; G568-S572 WeakPolarHBondContact O-CB 3.37Å; G568-S572 PolarHBondContact O-N 2.74Å
569	D	98.3	Very high	98	Very high	54 Å²	54	31.4 Å²	31.4	29%	0.289	20%	0.2	S	C	.	.	H	α-helix	trans	-70.6	-38.6	175.8	-81.6	-16.2	0	0	0	112.4	G565 G566 I567 S572 A573 R586	G565-D569 PolarHBondContact N-OD2 2.71Å; G566-D569 PolarHBondContact O-N 2.92Å; I567-D569 VanDerWaalsContact C-N 3.32Å; I567-D569 PolarHBondContact O-N 3.09Å; D569-S572 PolarHBondContact O-N 2.77Å; D569-A573 VanDerWaalsContact O-CB 3.29Å; D569-A573 WeakPolarHBondContact O-CB 3.47Å; D569-A573 PolarHBondContact O-N 2.61Å; D569-R586 IonicContact OD1-CZ 3.28Å; D569-R586 IonicContact OD1-NH1 3.14Å; D569-R586 PolarHBondContact OD1-NH1 3.42Å; D569-R586 IonicContact OD1-NH2 2.79Å; D569-R586 PolarHBondContact OD1-NH2 2.73Å; D569-R586 IonicContact OD2-NH1 3.09Å
570	A	98.6	Very high	97.9	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-46	175.9	0	0	0	0	0	111.8	I536 I539 G566 I567 A573 A574	I536-A570 HydrophobicContact CG2-CB 3.63Å; I539-A570 HydrophobicContact CB-CB 4.48Å; I539-A570 HydrophobicContact CD1-CB 3.77Å; I539-A570 HydrophobicContact CG2-CB 4.4Å; G566-A570 PolarHBondContact O-N 3.09Å; I567-A570 PolarHBondContact O-N 2.71Å; I567-A570 VanDerWaalsContact O-N 3.14Å; A570-A573 PolarHBondContact O-N 3.3Å; A570-A574 WeakPolarHBondContact O-CB 3.26Å; A570-A574 PolarHBondContact O-N 3.37Å
571	V	98.8	Very high	97.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-48	176.5	170.4	0	0	0	0	110.9	V505 I539 L544 V555 T557 I567 A573 A574 L575 V584	V505-V571 HydrophobicContact CB-CG2 4.4Å; V505-V571 HydrophobicContact CG1-CG2 4.21Å; V505-V571 HydrophobicContact CG2-CG2 4.25Å; I539-V571 HydrophobicContact CD1-CG2 3.78Å; L544-V571 HydrophobicContact CD1-CB 4.45Å; L544-V571 HydrophobicContact CD1-CG1 4.49Å; L544-V571 HydrophobicContact CD1-CG2 4.01Å; L544-V571 HydrophobicContact CD2-CG2 4.23Å; V555-V571 HydrophobicContact CG1-CG1 4.14Å; T557-V571 HydrophobicContact CG2-CB 4.17Å; T557-V571 HydrophobicContact CG2-CG1 4.38Å; T557-V571 HydrophobicContact CG2-CG2 3.99Å; I567-V571 HydrophobicContact CG2-CG2 4.14Å; I567-V571 WeakPolarHBondContact O-CG2 3.26Å; I567-V571 PolarHBondContact O-N 3.07Å; V571-A573 VanDerWaalsContact C-N 3.34Å; V571-A573 PolarHBondContact O-N 2.92Å; V571-A574 PolarHBondContact O-N 3.3Å; V571-L575 HydrophobicContact CG1-CD1 3.72Å; V571-L575 HydrophobicContact CG1-CG 4.34Å; V571-L575 WeakPolarHBondContact O-CB 3.48Å; V571-L575 WeakPolarHBondContact O-CG 3.45Å; V571-L575 PolarHBondContact O-N 2.88Å; V571-V584 HydrophobicContact CG1-CG2 4.46Å
572	S	98.4	Very high	97.7	Very high	32 Å²	32	43.2 Å²	43.2	22%	0.224	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-42.3	179.6	-166.4	0	0	0	0	112	G568 D569 S576	G568-S572 VanDerWaalsContact O-CB 3.28Å; G568-S572 WeakPolarHBondContact O-CB 3.37Å; G568-S572 PolarHBondContact O-N 2.74Å; D569-S572 PolarHBondContact O-N 2.77Å; S572-S576 VanDerWaalsContact O-CB 3.29Å; S572-S576 WeakPolarHBondContact O-CB 3.46Å; S572-S576 PolarHBondContact O-N 2.96Å; S572-S576 PolarHBondContact O-OG 3.35Å
573	A	98.2	Very high	97.7	Very high	41 Å²	41	46.1 Å²	46.1	34%	0.339	27%	0.269	S	S	.	.	H	α-helix	trans	-64.6	-46.8	177.6	0	0	0	0	0	111.6	D569 A570 V571 S576 Q577	D569-A573 VanDerWaalsContact O-CB 3.29Å; D569-A573 WeakPolarHBondContact O-CB 3.47Å; D569-A573 PolarHBondContact O-N 2.61Å; A570-A573 PolarHBondContact O-N 3.3Å; V571-A573 VanDerWaalsContact C-N 3.34Å; V571-A573 PolarHBondContact O-N 2.92Å; A573-S576 PolarHBondContact O-N 3.46Å; A573-Q577 WeakPolarHBondContact O-CB 3.08Å; A573-Q577 VanDerWaalsContact O-CG 3.29Å; A573-Q577 WeakPolarHBondContact O-CG 3.22Å; A573-Q577 PolarHBondContact O-N 2.93Å
574	A	98.4	Very high	97.7	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-47.7	179.6	0	0	0	0	0	112.4	I539 A541 L544 A570 V571 S576 Q577 C578	I539-A574 HydrophobicContact CG2-CB 3.68Å; A541-A574 HydrophobicContact CB-CB 3.88Å; L544-A574 HydrophobicContact CD1-CB 4.18Å; A570-A574 WeakPolarHBondContact O-CB 3.26Å; A570-A574 PolarHBondContact O-N 3.37Å; V571-A574 PolarHBondContact O-N 3.3Å; A574-S576 VanDerWaalsContact C-N 3.35Å; A574-S576 PolarHBondContact O-N 3.32Å; A574-Q577 PolarHBondContact O-N 3.48Å; A574-C578 PolarHBondContact O-N 2.98Å; A574-C578 PolarHBondContact O-SG 3.47Å; A574-C578 VanDerWaalsContact O-SG 3.41Å
575	L	98.5	Very high	97.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-39.4	178.4	-67.8	172.8	0	0	0	112.2	L544 V548 V555 V571 C578 G579 I580 H582	L544-L575 HydrophobicContact CB-CD2 4.07Å; V548-L575 HydrophobicContact CB-CD2 4.04Å; V548-L575 HydrophobicContact CG1-CD2 4.49Å; V548-L575 HydrophobicContact CG2-CD1 3.91Å; V548-L575 HydrophobicContact CG2-CD2 3.75Å; V548-L575 HydrophobicContact CG2-CG 4.5Å; V555-L575 HydrophobicContact CG2-CD1 3.96Å; V571-L575 HydrophobicContact CG1-CD1 3.72Å; V571-L575 HydrophobicContact CG1-CG 4.34Å; V571-L575 WeakPolarHBondContact O-CB 3.48Å; V571-L575 WeakPolarHBondContact O-CG 3.45Å; V571-L575 PolarHBondContact O-N 2.88Å; L575-C578 PolarHBondContact O-N 3.44Å; L575-G579 PolarHBondContact O-N 2.86Å; L575-I580 HydrophobicContact CB-CB 4.3Å; L575-I580 HydrophobicContact CD2-CB 4.25Å; L575-I580 HydrophobicContact CD2-CG1 4.22Å; L575-I580 HydrophobicContact CD2-CG2 4.31Å; L575-I580 WeakPolarHBondContact O-CB 3.43Å; L575-I580 PolarHBondContact O-N 2.98Å; L575-H582 HydrophobicContact CD1-CB 4Å
576	S	98	Very high	97.7	Very high	71 Å²	71	47.4 Å²	47.4	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-44.6	176.1	-59.4	0	0	0	0	111.7	S572 A573 A574 C578 G579 H582	S572-S576 VanDerWaalsContact O-CB 3.29Å; S572-S576 WeakPolarHBondContact O-CB 3.46Å; S572-S576 PolarHBondContact O-N 2.96Å; S572-S576 PolarHBondContact O-OG 3.35Å; A573-S576 PolarHBondContact O-N 3.46Å; A574-S576 VanDerWaalsContact C-N 3.35Å; A574-S576 PolarHBondContact O-N 3.32Å; S576-C578 VanDerWaalsContact C-N 3.28Å; S576-C578 PolarHBondContact O-N 2.94Å; S576-G579 PolarHBondContact O-N 3.34Å; S576-H582 PolarHBondContact OG-CE1 2.7Å; S576-H582 VanDerWaalsContact OG-CE1 3.3Å
577	Q	97	Very high	97.7	Very high	164 Å²	164	48.7 Å²	48.7	77%	0.766	28%	0.276	S	S	*	.	H	α-helix	trans	-63.7	-33.6	177.1	-74	173.7	-6.9	0	0	112.4	A573 A574 G579	A573-Q577 WeakPolarHBondContact O-CB 3.08Å; A573-Q577 VanDerWaalsContact O-CG 3.29Å; A573-Q577 WeakPolarHBondContact O-CG 3.22Å; A573-Q577 PolarHBondContact O-N 2.93Å; A574-Q577 PolarHBondContact O-N 3.48Å; Q577-G579 PolarHBondContact O-N 3.46Å
578	C	97.3	Very high	97.7	Very high	60 Å²	60	49.1 Å²	49.1	41%	0.405	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	1.6	173.7	-68.7	0	0	0	0	114.2	A545 A574 L575 S576 I580	A545-C578 HydrophobicContact CB-CB 4.03Å; A574-C578 PolarHBondContact O-N 2.98Å; A574-C578 PolarHBondContact O-SG 3.47Å; A574-C578 VanDerWaalsContact O-SG 3.41Å; L575-C578 PolarHBondContact O-N 3.44Å; S576-C578 VanDerWaalsContact C-N 3.28Å; S576-C578 PolarHBondContact O-N 2.94Å; C578-I580 VanDerWaalsContact C-N 3.27Å; C578-I580 HydrophobicContact CB-CD1 4.28Å; C578-I580 HydrophobicContact CB-CG1 3.79Å; C578-I580 PolarHBondContact O-N 3.32Å
579	G	96.4	Very high	97.7	Very high	68 Å²	68	49.4 Å²	49.4	70%	0.701	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	24.7	-179.3	0	0	0	0	0	114	L575 S576 Q577	L575-G579 PolarHBondContact O-N 2.86Å; S576-G579 PolarHBondContact O-N 3.34Å; Q577-G579 PolarHBondContact O-N 3.46Å
580	I	95.6	Very high	97.6	Very high	16 Å²	16	54.9 Å²	54.9	8%	0.082	30%	0.297	C	S	.	.			trans	-83.1	126.8	-179.4	-51.7	-53.1	0	0	0	108.9	A545 V548 K549 L575 C578 H582	A545-I580 HydrophobicContact CB-CD1 4.05Å; A545-I580 HydrophobicContact CB-CG1 3.83Å; V548-I580 HydrophobicContact CB-CG2 4.33Å; V548-I580 HydrophobicContact CG1-CG2 3.86Å; K549-I580 HydrophobicContact CD-CD1 4.27Å; K549-I580 HydrophobicContact CG-CD1 4.25Å; L575-I580 HydrophobicContact CB-CB 4.3Å; L575-I580 HydrophobicContact CD2-CB 4.25Å; L575-I580 HydrophobicContact CD2-CG1 4.22Å; L575-I580 HydrophobicContact CD2-CG2 4.31Å; L575-I580 WeakPolarHBondContact O-CB 3.43Å; L575-I580 PolarHBondContact O-N 2.98Å; C578-I580 VanDerWaalsContact C-N 3.27Å; C578-I580 HydrophobicContact CB-CD1 4.28Å; C578-I580 HydrophobicContact CB-CG1 3.79Å; C578-I580 PolarHBondContact O-N 3.32Å; I580-H582 HydrophobicContact CG2-CB 4.42Å; I580-H582 PolarHBondContact O-N 3.03Å; I580-H582 PolarHBondContact O-ND1 2.87Å
581	K	94.7	Very high	97.5	Very high	191 Å²	191	59.7 Å²	59.7	83%	0.83	32%	0.32	S	S	*	.			trans	-71.3	121.2	166.3	-176.4	178.1	179.7	180	0	108.2
582	H	97	Very high	97.4	Very high	42 Å²	42	65.5 Å²	65.5	19%	0.194	36%	0.355	C	S	.	.			trans	-148.1	164.8	-173.7	63.3	-76	0	0	0	112.8	V548 S553 L575 S576 I580	V548-H582 HydrophobicContact CG1-CB 4.12Å; S553-H582 CarbonylContact O-C 3.48Å; S553-H582 WeakPolarHBondContact O-CA 3.37Å; L575-H582 HydrophobicContact CD1-CB 4Å; S576-H582 PolarHBondContact OG-CE1 2.7Å; S576-H582 VanDerWaalsContact OG-CE1 3.3Å; I580-H582 HydrophobicContact CG2-CB 4.42Å; I580-H582 PolarHBondContact O-N 3.03Å; I580-H582 PolarHBondContact O-ND1 2.87Å
583	T	97.2	Very high	97.4	Very high	79 Å²	79	64.3 Å²	64.3	49%	0.485	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.5	166.4	-58.7	0	0	0	0	108.3	S553 K554 V555	S553-T583 PolarHBondContact O-N 3.03Å; K554-T583 CarbonylContact C-O 3.29Å; K554-T583 WeakPolarHBondContact CA-O 3.32Å; V555-T583 PolarHBondContact N-O 2.58Å
584	V	98.1	Very high	97.3	Very high	29 Å²	29	70.8 Å²	70.8	18%	0.176	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.3	175	-170.6	0	0	0	0	109.4	V555 T557 V571 R586	V555-V584 WeakPolarHBondContact O-CA 3.45Å; T557-V584 HydrophobicContact CG2-CG1 3.95Å; V571-V584 HydrophobicContact CG1-CG2 4.46Å; V584-R586 HydrophobicContact CG1-CG 3.98Å
585	Q	98.2	Very high	97.2	Very high	88 Å²	88	74.2 Å²	74.2	41%	0.411	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.3	165	-177.6	63.2	33	0	0	108.6	V555 L556 T557 L619	V555-Q585 PolarHBondContact O-N 3.24Å; L556-Q585 CarbonylContact C-O 3.54Å; L556-Q585 WeakPolarHBondContact CA-O 3.4Å; L556-Q585 HydrophobicContact CD1-CB 3.91Å; L556-Q585 HydrophobicContact CD1-CG 3.76Å; T557-Q585 PolarHBondContact N-O 2.76Å; Q585-L619 HydrophobicContact CB-CD1 3.9Å; Q585-L619 HydrophobicContact CB-CD2 4.06Å; Q585-L619 HydrophobicContact CB-CG 4.46Å; Q585-L619 HydrophobicContact CG-CD1 4.35Å
586	R	98.3	Very high	97.1	Very high	56 Å²	56	75 Å²	75	21%	0.211	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.6	-175.6	-48.8	-179.9	-170.4	176	-1.3	110.8	T557 D569 V584	T557-R586 WeakPolarHBondContact OG1-CG 3.32Å; D569-R586 IonicContact OD1-CZ 3.28Å; D569-R586 IonicContact OD1-NH1 3.14Å; D569-R586 PolarHBondContact OD1-NH1 3.42Å; D569-R586 IonicContact OD1-NH2 2.79Å; D569-R586 PolarHBondContact OD1-NH2 2.73Å; D569-R586 IonicContact OD2-NH1 3.09Å; V584-R586 HydrophobicContact CG1-CG 3.98Å
587	L	98.7	Very high	97	Very high	26 Å²	26	76.9 Å²	76.9	14%	0.136	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	112.2	163.7	-54.9	-177.4	0	0	0	107.1	L556 T557 V558 E559 I607 A611 I612 A615	L556-L587 HydrophobicContact CD1-CD1 4.27Å; L556-L587 HydrophobicContact CD1-CD2 4.46Å; L556-L587 HydrophobicContact CD1-CG 3.9Å; L556-L587 HydrophobicContact CD2-CD1 4.3Å; T557-L587 PolarHBondContact O-N 3.11Å; V558-L587 WeakPolarHBondContact CA-O 3.3Å; V558-L587 HydrophobicContact CG1-CB 4.31Å; V558-L587 HydrophobicContact CG2-CD1 4.39Å; E559-L587 WeakPolarHBondContact CG-O 3.47Å; E559-L587 PolarHBondContact N-O 2.81Å; L587-I607 HydrophobicContact CB-CG2 3.93Å; L587-A611 HydrophobicContact CD1-CB 4.44Å; L587-I612 HydrophobicContact CD1-CB 4.49Å; L587-I612 HydrophobicContact CD1-CG1 3.88Å; L587-A615 HydrophobicContact CD1-CB 4.07Å; L587-A615 HydrophobicContact CD2-CB 4.17Å; L587-A615 HydrophobicContact CG-CB 4.47Å
588	A	98.3	Very high	97	Very high	9 Å²	9	70.7 Å²	70.7	7%	0.074	37%	0.366	C	S	.	.			trans	-153.6	165.7	-166.9	0	0	0	0	0	111	E559 P563 R590	E559-A588 HydrophobicContact CG-CB 3.63Å; E559-A588 WeakPolarHBondContact O-CA 3.38Å; P563-A588 HydrophobicContact CB-CB 3.72Å; P563-A588 HydrophobicContact CG-CB 4.11Å; A588-R590 PolarHBondContact O-N 3.01Å
589	I	98.1	Very high	96.9	Very high	6 Å²	6	74 Å²	74	3%	0.031	38%	0.376	C	S	.	.			trans	-81.3	117.3	177.5	-51	-56	0	0	0	109.8	V416 L428 D560 H561 P563 E591 P593 Y605 I607	V416-I589 HydrophobicContact CB-CD1 4.35Å; V416-I589 HydrophobicContact CG1-CD1 3.66Å; V416-I589 HydrophobicContact CG1-CG1 3.78Å; V416-I589 HydrophobicContact CG1-CG2 4.21Å; V416-I589 HydrophobicContact CG2-CD1 3.74Å; V416-I589 HydrophobicContact CG2-CG1 4.4Å; L428-I589 HydrophobicContact CD1-CG2 4.18Å; L428-I589 HydrophobicContact CD2-CG1 4.49Å; D560-I589 VanDerWaalsContact C-CG1 3.44Å; D560-I589 WeakPolarHBondContact O-CG1 3.14Å; H561-I589 WeakPolarHBondContact O-CB 3.4Å; H561-I589 PolarHBondContact O-N 2.96Å; P563-I589 WeakPolarHBondContact CD-O 3.42Å; I589-E591 WeakPolarHBondContact CG2-O 3.16Å; I589-P593 HydrophobicContact CG2-CG 3.69Å; I589-Y605 VanDerWaalsContact CD1-CB 3.42Å; I589-Y605 HydrophobicContact CD1-CD1 4.46Å; I589-Y605 HydrophobicContact CD1-CD2 3.82Å; I589-Y605 HydrophobicContact CD1-CG 3.65Å; I589-I607 HydrophobicContact CD1-CD1 3.84Å
590	R	96.9	Very high	96.9	Very high	169 Å²	169	75.9 Å²	75.9	64%	0.638	37%	0.367	S	S	*	.			trans	-117.5	0.8	-173.7	-63.4	-178.9	179.1	-78.9	-1.5	114.7	A588	A588-R590 PolarHBondContact O-N 3.01Å
591	E	96.5	Very high	97	Very high	104 Å²	104	75.3 Å²	75.3	49%	0.486	36%	0.364	S	S	.	.	S	Bend	trans	-134.9	159.5	175.1	65.8	177.2	-163.3	0	0	109	I589 P593 K604 Y605	I589-E591 WeakPolarHBondContact CG2-O 3.16Å; E591-P593 WeakPolarHBondContact O-CD 3.15Å; E591-K604 IonicContact OE1-NZ 2.88Å; E591-K604 PolarHBondContact OE1-NZ 3.35Å; E591-Y605 HydrophobicContact CG-CD1 4.19Å; E591-Y605 HydrophobicContact CG-CE1 3.75Å; E591-Y605 WeakPolarHBondContact OE1-CE1 3.38Å
592	V	96.6	Very high	97.2	Very high	122 Å²	122	66.6 Å²	66.6	74%	0.739	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-60.5	120.7	170.9	178.2	0	0	0	0	108.4	P423	P423-V592 HydrophobicContact CB-CG1 4.11Å; P423-V592 HydrophobicContact CG-CG1 4.44Å
593	P	97	Very high	97.2	Very high	6 Å²	6	67 Å²	67	4%	0.039	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-68.3	164.2	-176.2	-24.2	36.1	0	0	0	113.9	V416 P423 M426 L428 I589 E591 Y605	V416-P593 HydrophobicContact CG1-CB 3.88Å; V416-P593 HydrophobicContact CG1-CG 3.51Å; P423-P593 WeakPolarHBondContact CB-O 3.28Å; P423-P593 VanDerWaalsContact CG-O 3.26Å; P423-P593 WeakPolarHBondContact CG-O 3.37Å; M426-P593 HydrophobicContact SD-CB 3.58Å; M426-P593 VanDerWaalsContact SD-CB 3.58Å; M426-P593 HydrophobicContact SD-CG 4Å; L428-P593 HydrophobicContact CD1-CG 3.7Å; I589-P593 HydrophobicContact CG2-CG 3.69Å; E591-P593 WeakPolarHBondContact O-CD 3.15Å; P593-Y605 WeakPolarHBondContact CA-OH 3.44Å; P593-Y605 HydrophobicContact CB-CE2 3.95Å; P593-Y605 WeakPolarHBondContact CB-OH 3.5Å
594	R	96	Very high	97.3	Very high	178 Å²	178	68.1 Å²	68.1	67%	0.672	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-99.7	163.7	165.8	-57.4	-169.8	178.7	-158.1	-1.9	110.6	L601 Y605	R594-L601 WeakPolarHBondContact O-CD2 3.39Å; R594-Y605 PolarHBondContact N-OH 2.95Å
595	S	96.8	Very high	97.2	Very high	74 Å²	74	67.9 Å²	67.9	52%	0.517	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-72.1	151.5	161	51	0	0	0	0	111	E420	E420-S595 WeakPolarHBondContact O-CB 3.49Å
596	G	96.6	Very high	97.2	Very high	16 Å²	16	64.6 Å²	64.6	17%	0.165	32%	0.321	C	S	.	.			trans	170.6	177.4	179.1	0	0	0	0	0	110.7	G419 E420	G419-G596 CarbonylContact C-O 3.14Å; G419-G596 WeakPolarHBondContact CA-O 3.4Å; E420-G596 PolarHBondContact N-O 3.33Å; E420-G596 VanDerWaalsContact N-O 3.15Å
597	K	96.6	Very high	97.2	Very high	112 Å²	112	62 Å²	62	49%	0.487	31%	0.311	S	S	.	.			trans	-66.3	146.5	175.2	-64	178.5	-173.9	163.5	0	110.3	E599 E600 L601	K597-E599 VanDerWaalsContact C-N 3.26Å; K597-E599 PolarHBondContact O-N 2.96Å; K597-E599 VanDerWaalsContact O-N 3.16Å; K597-E600 HydrophobicContact CB-CB 4.32Å; K597-E600 HydrophobicContact CB-CG 4Å; K597-E600 PolarHBondContact N-OE2 3.09Å; K597-E600 VanDerWaalsContact N-OE2 3.16Å; K597-E600 WeakPolarHBondContact O-CB 3.34Å; K597-E600 PolarHBondContact O-N 2.94Å; K597-L601 WeakPolarHBondContact O-CG 3.34Å; K597-L601 PolarHBondContact O-N 3.35Å
598	P	95.7	Very high	97.2	Very high	33 Å²	33	61.8 Å²	61.8	21%	0.214	31%	0.31	C	S	.	.	H	α-helix	trans	-48.3	-46.5	-179.3	-30.2	36.8	0	0	0	113.4	S417 E600 L601 L602	S417-P598 WeakPolarHBondContact O-CB 3.44Å; S417-P598 WeakPolarHBondContact O-CG 3.3Å; P598-E600 PolarHBondContact O-N 3.03Å; P598-L601 PolarHBondContact O-N 3.43Å; P598-L602 VanDerWaalsContact O-CG 3.31Å; P598-L602 WeakPolarHBondContact O-CG 3.14Å; P598-L602 PolarHBondContact O-N 3.12Å
599	E	95.7	Very high	97.2	Very high	131 Å²	131	62 Å²	62	61%	0.612	31%	0.312	S	S	*	.	H	α-helix	trans	-67.1	-37.7	-178.7	-56.3	74.7	-161.7	0	0	112.4	K597 L601 L602 A603	K597-E599 VanDerWaalsContact C-N 3.26Å; K597-E599 PolarHBondContact O-N 2.96Å; K597-E599 VanDerWaalsContact O-N 3.16Å; E599-L601 VanDerWaalsContact C-N 3.32Å; E599-L602 PolarHBondContact O-N 2.88Å; E599-A603 WeakPolarHBondContact O-CB 3.29Å; E599-A603 PolarHBondContact O-N 3.27Å
600	E	97.1	Very high	97.3	Very high	107 Å²	107	64.7 Å²	64.7	50%	0.5	33%	0.331	S	S	.	.	H	α-helix	trans	-64.9	-39.1	175.6	-66.5	170	177	0	0	110.9	K597 P598 K604	K597-E600 HydrophobicContact CB-CB 4.32Å; K597-E600 HydrophobicContact CB-CG 4Å; K597-E600 PolarHBondContact N-OE2 3.09Å; K597-E600 VanDerWaalsContact N-OE2 3.16Å; K597-E600 WeakPolarHBondContact O-CB 3.34Å; K597-E600 PolarHBondContact O-N 2.94Å; P598-E600 PolarHBondContact O-N 3.03Å; E600-K604 WeakPolarHBondContact O-CB 3.48Å; E600-K604 PolarHBondContact O-N 3.04Å
601	L	97.8	Very high	97.3	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-69.6	-45.4	177.5	-63.1	177	0	0	0	111.4	V416 M426 R594 K597 P598 E599 A603 K604 Y605	V416-L601 HydrophobicContact CB-CB 4.45Å; V416-L601 WeakPolarHBondContact O-CD1 3.33Å; M426-L601 HydrophobicContact CE-CD1 3.65Å; R594-L601 WeakPolarHBondContact O-CD2 3.39Å; K597-L601 WeakPolarHBondContact O-CG 3.34Å; K597-L601 PolarHBondContact O-N 3.35Å; P598-L601 PolarHBondContact O-N 3.43Å; E599-L601 VanDerWaalsContact C-N 3.32Å; L601-A603 VanDerWaalsContact C-N 3.29Å; L601-A603 PolarHBondContact O-N 3.41Å; L601-K604 PolarHBondContact O-N 3.32Å; L601-Y605 HydrophobicContact CB-CD2 4.39Å; L601-Y605 HydrophobicContact CB-CE2 4.14Å; L601-Y605 HydrophobicContact CD2-CE2 3.92Å; L601-Y605 WeakPolarHBondContact O-CD2 3.32Å; L601-Y605 PolarHBondContact O-N 2.65Å
602	L	98	Very high	97.4	Very high	8 Å²	8	52 Å²	52	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-43.4	176.3	-66	178.2	0	0	0	111.3	V416 I509 E513 P598 E599 G606 I607 D608	V416-L602 HydrophobicContact CG2-CD2 4.37Å; I509-L602 HydrophobicContact CG1-CD1 4.24Å; E513-L602 HydrophobicContact CG-CD1 4.17Å; P598-L602 VanDerWaalsContact O-CG 3.31Å; P598-L602 WeakPolarHBondContact O-CG 3.14Å; P598-L602 PolarHBondContact O-N 3.12Å; E599-L602 PolarHBondContact O-N 2.88Å; L602-G606 PolarHBondContact O-N 3.4Å; L602-I607 HydrophobicContact CB-CG1 4.24Å; L602-I607 HydrophobicContact CD2-CD1 3.47Å; L602-I607 VanDerWaalsContact CD2-CD1 3.47Å; L602-I607 HydrophobicContact CD2-CG1 3.78Å; L602-I607 WeakPolarHBondContact O-CG1 3.46Å; L602-I607 PolarHBondContact O-N 3.22Å; L602-D608 HydrophobicContact CB-CB 4.2Å; L602-D608 PolarHBondContact O-N 3.23Å
603	A	97.9	Very high	97.5	Very high	50 Å²	50	46.9 Å²	46.9	41%	0.413	25%	0.249	S	C	.	.	H	α-helix	trans	-68.1	-45.1	176.3	0	0	0	0	0	112.4	E599 L601 Y605 G606	E599-A603 WeakPolarHBondContact O-CB 3.29Å; E599-A603 PolarHBondContact O-N 3.27Å; L601-A603 VanDerWaalsContact C-N 3.29Å; L601-A603 PolarHBondContact O-N 3.41Å; A603-Y605 VanDerWaalsContact C-N 3.32Å; A603-Y605 PolarHBondContact O-N 3.08Å; A603-G606 PolarHBondContact O-N 2.86Å; A603-G606 VanDerWaalsContact O-N 3.11Å
604	K	97.6	Very high	97.6	Very high	103 Å²	103	53.6 Å²	53.6	45%	0.448	27%	0.274	S	S	.	.	H	α-helix	trans	-58.3	-41.7	-179.8	172.5	174.3	158.4	53	0	112.3	E591 E600 L601 G606	E591-K604 IonicContact OE1-NZ 2.88Å; E591-K604 PolarHBondContact OE1-NZ 3.35Å; E600-K604 WeakPolarHBondContact O-CB 3.48Å; E600-K604 PolarHBondContact O-N 3.04Å; L601-K604 PolarHBondContact O-N 3.32Å; K604-G606 VanDerWaalsContact C-N 3.33Å
605	Y	97.9	Very high	97.7	Very high	24 Å²	24	45.9 Å²	45.9	9%	0.094	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	7.2	-180	-55.3	-65.7	0	0	0	113.6	V416 I589 E591 P593 R594 L601 A603 I607	V416-Y605 HydrophobicContact CB-CD2 4.35Å; V416-Y605 HydrophobicContact CB-CE2 4.42Å; V416-Y605 HydrophobicContact CG1-CD2 4.15Å; V416-Y605 HydrophobicContact CG1-CE2 4.15Å; V416-Y605 HydrophobicContact CG2-CD2 4.19Å; I589-Y605 VanDerWaalsContact CD1-CB 3.42Å; I589-Y605 HydrophobicContact CD1-CD1 4.46Å; I589-Y605 HydrophobicContact CD1-CD2 3.82Å; I589-Y605 HydrophobicContact CD1-CG 3.65Å; E591-Y605 HydrophobicContact CG-CD1 4.19Å; E591-Y605 HydrophobicContact CG-CE1 3.75Å; E591-Y605 WeakPolarHBondContact OE1-CE1 3.38Å; P593-Y605 WeakPolarHBondContact CA-OH 3.44Å; P593-Y605 HydrophobicContact CB-CE2 3.95Å; P593-Y605 WeakPolarHBondContact CB-OH 3.5Å; R594-Y605 PolarHBondContact N-OH 2.95Å; L601-Y605 HydrophobicContact CB-CD2 4.39Å; L601-Y605 HydrophobicContact CB-CE2 4.14Å; L601-Y605 HydrophobicContact CD2-CE2 3.92Å; L601-Y605 WeakPolarHBondContact O-CD2 3.32Å; L601-Y605 PolarHBondContact O-N 2.65Å; A603-Y605 VanDerWaalsContact C-N 3.32Å; A603-Y605 PolarHBondContact O-N 3.08Å; Y605-I607 PolarHBondContact O-N 3.4Å
606	G	98.1	Very high	97.8	Very high	19 Å²	19	42.3 Å²	42.3	20%	0.196	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	40.6	172.6	0	0	0	0	0	113.7	L602 A603 K604 A611	L602-G606 PolarHBondContact O-N 3.4Å; A603-G606 PolarHBondContact O-N 2.86Å; A603-G606 VanDerWaalsContact O-N 3.11Å; K604-G606 VanDerWaalsContact C-N 3.33Å; G606-A611 WeakPolarHBondContact O-CB 3.32Å
607	I	98.3	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.			trans	-122.2	7	177.9	56.7	170.6	0	0	0	112.6	V416 V558 D560 L587 I589 L602 Y605	V416-I607 HydrophobicContact CG2-CD1 3.81Å; V558-I607 HydrophobicContact CG1-CB 4.11Å; V558-I607 HydrophobicContact CG1-CG2 4.4Å; D560-I607 HydrophobicContact CB-CD1 3.84Å; L587-I607 HydrophobicContact CB-CG2 3.93Å; I589-I607 HydrophobicContact CD1-CD1 3.84Å; L602-I607 HydrophobicContact CB-CG1 4.24Å; L602-I607 HydrophobicContact CD2-CD1 3.47Å; L602-I607 VanDerWaalsContact CD2-CD1 3.47Å; L602-I607 HydrophobicContact CD2-CG1 3.78Å; L602-I607 WeakPolarHBondContact O-CG1 3.46Å; L602-I607 PolarHBondContact O-N 3.22Å; Y605-I607 PolarHBondContact O-N 3.4Å
608	D	98.3	Very high	97.9	Very high	23 Å²	23	42.1 Å²	42.1	12%	0.123	23%	0.229	C	C	.	.	S	Bend	trans	-77.3	168	172.5	78.2	-43.9	0	0	0	112.2	L602 S610 A611 I612	L602-D608 HydrophobicContact CB-CB 4.2Å; L602-D608 PolarHBondContact O-N 3.23Å; D608-S610 PolarHBondContact O-N 3.36Å; D608-S610 VanDerWaalsContact O-N 3.15Å; D608-S610 WeakPolarHBondContact OD2-CB 3.32Å; D608-S610 PolarHBondContact OD2-N 2.94Å; D608-S610 PolarHBondContact OD2-OG 2.91Å; D608-A611 PolarHBondContact O-N 3.04Å; D608-A611 WeakPolarHBondContact OD1-CB 3.48Å; D608-A611 PolarHBondContact OD1-N 3.29Å; D608-I612 WeakPolarHBondContact O-CG1 3.47Å; D608-I612 PolarHBondContact O-N 3.47Å
609	A	98.6	Very high	97.9	Very high	14 Å²	14	41.5 Å²	41.5	12%	0.116	22%	0.224	C	C	.	.	H	α-helix	trans	-50.7	-40.6	177.3	0	0	0	0	0	112.8	E513 K516 A517 A611 I612 V613	E513-A609 PolarHBondContact OE2-N 3.43Å; K516-A609 HydrophobicContact CB-CB 3.7Å; K516-A609 HydrophobicContact CD-CB 4.49Å; A517-A609 HydrophobicContact CB-CB 4.28Å; A609-A611 PolarHBondContact O-N 3.29Å; A609-I612 PolarHBondContact O-N 3.4Å; A609-V613 VanDerWaalsContact O-CG2 3.3Å; A609-V613 WeakPolarHBondContact O-CG2 3.34Å; A609-V613 PolarHBondContact O-N 2.9Å
610	S	98.6	Very high	98	Very high	61 Å²	61	37.2 Å²	37.2	43%	0.427	21%	0.205	S	C	.	.	H	α-helix	trans	-63.9	-41.7	179.8	-42.4	0	0	0	0	112.2	D608 V613 R614	D608-S610 PolarHBondContact O-N 3.36Å; D608-S610 VanDerWaalsContact O-N 3.15Å; D608-S610 WeakPolarHBondContact OD2-CB 3.32Å; D608-S610 PolarHBondContact OD2-N 2.94Å; D608-S610 PolarHBondContact OD2-OG 2.91Å; S610-V613 PolarHBondContact O-N 3.44Å; S610-R614 WeakPolarHBondContact O-CG 3.34Å; S610-R614 PolarHBondContact O-N 3.04Å; S610-R614 VanDerWaalsContact O-N 3.11Å; S610-R614 PolarHBondContact O-NH1 3.33Å
611	A	98.5	Very high	97.8	Very high	6 Å²	6	35.5 Å²	35.5	5%	0.05	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-38.2	175.4	0	0	0	0	0	112.2	L587 G606 D608 A609 R614 A615	L587-A611 HydrophobicContact CD1-CB 4.44Å; G606-A611 WeakPolarHBondContact O-CB 3.32Å; D608-A611 PolarHBondContact O-N 3.04Å; D608-A611 WeakPolarHBondContact OD1-CB 3.48Å; D608-A611 PolarHBondContact OD1-N 3.29Å; A609-A611 PolarHBondContact O-N 3.29Å; A611-R614 PolarHBondContact O-N 2.73Å; A611-A615 WeakPolarHBondContact O-CB 3.39Å; A611-A615 PolarHBondContact O-N 3.45Å
612	I	98.8	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-48.4	174.8	-61.4	167.9	0	0	0	110.1	E513 A514 A517 L556 V558 L587 D608 A609 R614 A615 V616	E513-I612 HydrophobicContact CB-CD1 3.81Å; A514-I612 HydrophobicContact CB-CD1 4.32Å; A517-I612 HydrophobicContact CB-CB 3.68Å; A517-I612 HydrophobicContact CB-CD1 4.42Å; A517-I612 HydrophobicContact CB-CG2 3.48Å; A517-I612 VanDerWaalsContact CB-CG2 3.48Å; L556-I612 HydrophobicContact CD2-CG2 3.95Å; V558-I612 HydrophobicContact CB-CD1 4.49Å; V558-I612 HydrophobicContact CG1-CD1 4.01Å; V558-I612 HydrophobicContact CG1-CG1 4.22Å; V558-I612 HydrophobicContact CG2-CD1 3.9Å; V558-I612 HydrophobicContact CG2-CG1 3.84Å; L587-I612 HydrophobicContact CD1-CB 4.49Å; L587-I612 HydrophobicContact CD1-CG1 3.88Å; D608-I612 WeakPolarHBondContact O-CG1 3.47Å; D608-I612 PolarHBondContact O-N 3.47Å; A609-I612 PolarHBondContact O-N 3.4Å; I612-R614 VanDerWaalsContact C-N 3.34Å; I612-R614 PolarHBondContact O-N 3.09Å; I612-A615 PolarHBondContact O-N 3.34Å; I612-A615 VanDerWaalsContact O-N 3.16Å; I612-V616 HydrophobicContact CG2-CG2 4.18Å; I612-V616 VanDerWaalsContact O-CG2 3.25Å; I612-V616 WeakPolarHBondContact O-CG2 3.39Å; I612-V616 PolarHBondContact O-N 2.9Å
613	V	98.7	Very high	95.5	Very high	16 Å²	16	50.6 Å²	50.6	10%	0.097	29%	0.285	C	S	.	.	H	α-helix	trans	-54.5	-49.3	176.1	172.9	0	0	0	0	111	A517 V520 L521 A609 S610 A615 V616 K617	A517-V613 HydrophobicContact CB-CG2 3.94Å; V520-V613 HydrophobicContact CB-CG2 4.09Å; V520-V613 HydrophobicContact CG1-CG2 4.02Å; L521-V613 HydrophobicContact CD1-CG2 4.48Å; L521-V613 HydrophobicContact CD2-CG1 3.95Å; L521-V613 HydrophobicContact CG-CG1 4.37Å; L521-V613 HydrophobicContact CG-CG2 4.11Å; A609-V613 VanDerWaalsContact O-CG2 3.3Å; A609-V613 WeakPolarHBondContact O-CG2 3.34Å; A609-V613 PolarHBondContact O-N 2.9Å; S610-V613 PolarHBondContact O-N 3.44Å; V613-A615 PolarHBondContact O-N 3.13Å; V613-V616 PolarHBondContact O-N 3.47Å; V613-K617 HydrophobicContact CG1-CD 4.3Å; V613-K617 WeakPolarHBondContact O-CB 3.32Å; V613-K617 WeakPolarHBondContact O-CG 3.39Å; V613-K617 PolarHBondContact O-N 3.06Å
614	R	98.4	Very high	95.4	Very high	147 Å²	147	50.6 Å²	50.6	56%	0.555	28%	0.278	S	S	*	.	H	α-helix	trans	-60.6	-43.6	178	-71.3	-171.3	-59.7	-88.5	2.3	112.2	S610 A611 I612 S618	S610-R614 WeakPolarHBondContact O-CG 3.34Å; S610-R614 PolarHBondContact O-N 3.04Å; S610-R614 VanDerWaalsContact O-N 3.11Å; S610-R614 PolarHBondContact O-NH1 3.33Å; A611-R614 PolarHBondContact O-N 2.73Å; I612-R614 VanDerWaalsContact C-N 3.34Å; I612-R614 PolarHBondContact O-N 3.09Å; R614-S618 VanDerWaalsContact O-CB 3.32Å; R614-S618 WeakPolarHBondContact O-CB 3.45Å; R614-S618 PolarHBondContact O-N 3.49Å
615	A	98.3	Very high	95.3	Very high	15 Å²	15	47.8 Å²	47.8	12%	0.124	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-41.9	179.4	0	0	0	0	0	112	L556 L587 A611 I612 V613 S618 L619	L556-A615 HydrophobicContact CD1-CB 3.89Å; L556-A615 HydrophobicContact CD2-CB 3.83Å; L587-A615 HydrophobicContact CD1-CB 4.07Å; L587-A615 HydrophobicContact CD2-CB 4.17Å; L587-A615 HydrophobicContact CG-CB 4.47Å; A611-A615 WeakPolarHBondContact O-CB 3.39Å; A611-A615 PolarHBondContact O-N 3.45Å; I612-A615 PolarHBondContact O-N 3.34Å; I612-A615 VanDerWaalsContact O-N 3.16Å; V613-A615 PolarHBondContact O-N 3.13Å; A615-S618 PolarHBondContact O-N 3.43Å; A615-L619 WeakPolarHBondContact O-CB 3.27Å; A615-L619 VanDerWaalsContact O-CG 3.3Å; A615-L619 WeakPolarHBondContact O-CG 3.23Å; A615-L619 PolarHBondContact O-N 3.48Å
616	V	98.4	Very high	95.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-50.6	175.7	171.7	0	0	0	0	110.6	L502 V504 L521 I526 I528 L556 I612 V613 S618 L619 L620	L502-V616 HydrophobicContact CD2-CB 4.22Å; L502-V616 HydrophobicContact CD2-CG1 4.09Å; L502-V616 HydrophobicContact CD2-CG2 3.84Å; V504-V616 HydrophobicContact CG2-CG2 4.22Å; L521-V616 HydrophobicContact CD1-CB 3.91Å; L521-V616 HydrophobicContact CD1-CG1 3.79Å; L521-V616 HydrophobicContact CD1-CG2 3.88Å; L521-V616 HydrophobicContact CD2-CB 4.39Å; L521-V616 HydrophobicContact CD2-CG1 4.1Å; I526-V616 HydrophobicContact CG2-CG1 4.11Å; I528-V616 HydrophobicContact CG2-CG1 3.68Å; I528-V616 HydrophobicContact CG2-CG2 4.2Å; L556-V616 HydrophobicContact CD2-CG2 3.93Å; I612-V616 HydrophobicContact CG2-CG2 4.18Å; I612-V616 VanDerWaalsContact O-CG2 3.25Å; I612-V616 WeakPolarHBondContact O-CG2 3.39Å; I612-V616 PolarHBondContact O-N 2.9Å; V613-V616 PolarHBondContact O-N 3.47Å; V616-S618 PolarHBondContact O-N 3.24Å; V616-L619 PolarHBondContact O-N 3.22Å; V616-L620 HydrophobicContact CG1-CD1 3.85Å; V616-L620 HydrophobicContact CG1-CG 4.46Å; V616-L620 WeakPolarHBondContact O-CB 3.22Å; V616-L620 WeakPolarHBondContact O-CG 3.46Å; V616-L620 PolarHBondContact O-N 2.95Å
617	K	98.1	Very high	95	Very high	30 Å²	30	50.9 Å²	50.9	13%	0.13	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-48.2	178.4	-76.1	-173.5	-179.2	-166.7	0	111.7	L521 E524 I526 V613 L619 L620 G621 K622	L521-K617 HydrophobicContact CD2-CG 4.29Å; E524-K617 WeakPolarHBondContact OE1-CE 3.27Å; E524-K617 IonicContact OE1-NZ 2.83Å; E524-K617 PolarHBondContact OE1-NZ 3.26Å; E524-K617 WeakPolarHBondContact OE2-CE 3.5Å; E524-K617 IonicContact OE2-NZ 2.68Å; E524-K617 PolarHBondContact OE2-NZ 3.03Å; I526-K617 HydrophobicContact CD1-CG 4.23Å; V613-K617 HydrophobicContact CG1-CD 4.3Å; V613-K617 WeakPolarHBondContact O-CB 3.32Å; V613-K617 WeakPolarHBondContact O-CG 3.39Å; V613-K617 PolarHBondContact O-N 3.06Å; K617-L619 PolarHBondContact O-N 3.25Å; K617-L620 CarbonylContact O-C 3.55Å; K617-L620 PolarHBondContact O-N 3.3Å; K617-L620 VanDerWaalsContact O-N 3.17Å; K617-G621 PolarHBondContact O-N 3.34Å; K617-K622 CarbonylContact C-O 3.51Å; K617-K622 VanDerWaalsContact C-O 3.29Å; K617-K622 WeakPolarHBondContact CB-O 3.05Å; K617-K622 PolarHBondContact O-N 2.69Å; K617-K622 VanDerWaalsContact O-O 3.1Å
618	S	97.3	Very high	94.8	Very high	93 Å²	93	54.1 Å²	54.1	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-57.3	-47.7	176	-179.5	0	0	0	0	112.6	R614 A615 V616 L620 G621	R614-S618 VanDerWaalsContact O-CB 3.32Å; R614-S618 WeakPolarHBondContact O-CB 3.45Å; R614-S618 PolarHBondContact O-N 3.49Å; A615-S618 PolarHBondContact O-N 3.43Å; V616-S618 PolarHBondContact O-N 3.24Å; S618-L620 VanDerWaalsContact C-N 3.28Å; S618-L620 PolarHBondContact O-N 3.27Å; S618-G621 PolarHBondContact O-N 3.12Å; S618-G621 VanDerWaalsContact O-N 3.11Å
619	L	96.7	Very high	94.5	Very high	20 Å²	20	56.2 Å²	56.2	11%	0.105	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-31.1	178.2	-73.8	168.6	0	0	0	113.1	L502 K554 L556 Q585 A615 V616 K617	L502-L619 HydrophobicContact CD1-CB 4.41Å; L502-L619 HydrophobicContact CD1-CD1 4.37Å; L502-L619 HydrophobicContact CD2-CB 4.48Å; L502-L619 HydrophobicContact CD2-CD1 3.96Å; K554-L619 HydrophobicContact CD-CB 4.27Å; K554-L619 HydrophobicContact CD-CD2 4.14Å; K554-L619 WeakPolarHBondContact CD-O 3.42Å; K554-L619 PolarHBondContact NZ-O 3.32Å; L556-L619 HydrophobicContact CB-CD1 4.18Å; L556-L619 HydrophobicContact CD1-CD1 4.22Å; Q585-L619 HydrophobicContact CB-CD1 3.9Å; Q585-L619 HydrophobicContact CB-CD2 4.06Å; Q585-L619 HydrophobicContact CB-CG 4.46Å; Q585-L619 HydrophobicContact CG-CD1 4.35Å; A615-L619 WeakPolarHBondContact O-CB 3.27Å; A615-L619 VanDerWaalsContact O-CG 3.3Å; A615-L619 WeakPolarHBondContact O-CG 3.23Å; A615-L619 PolarHBondContact O-N 3.48Å; V616-L619 PolarHBondContact O-N 3.22Å; K617-L619 PolarHBondContact O-N 3.25Å
620	L	96.1	Very high	94.2	Very high	42 Å²	42	59.2 Å²	59.2	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-86.8	-3.6	176.6	-66	178.1	0	0	0	113.5	H501 L502 I526 V616 K617 S618 K622	H501-L620 HydrophobicContact CB-CD1 3.78Å; H501-L620 HydrophobicContact CB-CD2 3.98Å; L502-L620 HydrophobicContact CB-CD2 4.34Å; I526-L620 HydrophobicContact CG2-CD1 3.63Å; V616-L620 HydrophobicContact CG1-CD1 3.85Å; V616-L620 HydrophobicContact CG1-CG 4.46Å; V616-L620 WeakPolarHBondContact O-CB 3.22Å; V616-L620 WeakPolarHBondContact O-CG 3.46Å; V616-L620 PolarHBondContact O-N 2.95Å; K617-L620 CarbonylContact O-C 3.55Å; K617-L620 PolarHBondContact O-N 3.3Å; K617-L620 VanDerWaalsContact O-N 3.17Å; S618-L620 VanDerWaalsContact C-N 3.28Å; S618-L620 PolarHBondContact O-N 3.27Å; L620-K622 VanDerWaalsContact C-N 3.26Å; L620-K622 HydrophobicContact CB-CD 4.34Å; L620-K622 HydrophobicContact CB-CG 4.16Å; L620-K622 PolarHBondContact O-N 3.46Å
621	G	92.7	Very high	93.9	Very high	70 Å²	70	59.1 Å²	59.1	72%	0.722	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	26.3	-175.7	0	0	0	0	0	113.5	K617 S618	K617-G621 PolarHBondContact O-N 3.34Å; S618-G621 PolarHBondContact O-N 3.12Å; S618-G621 VanDerWaalsContact O-N 3.11Å
622	K	83.4	Confident	93.5	Very high	84 Å²	84	63.5 Å²	63.5	37%	0.365	34%	0.343	S	S	.	.			trans	-100.2	136.4	175.4	-62	-175.9	176.5	-175	0	108.2	I526 K617 L620	I526-K622 HydrophobicContact CD1-CD 3.64Å; I526-K622 HydrophobicContact CG1-CD 3.98Å; K617-K622 CarbonylContact C-O 3.51Å; K617-K622 VanDerWaalsContact C-O 3.29Å; K617-K622 WeakPolarHBondContact CB-O 3.05Å; K617-K622 PolarHBondContact O-N 2.69Å; K617-K622 VanDerWaalsContact O-O 3.1Å; L620-K622 VanDerWaalsContact C-N 3.26Å; L620-K622 HydrophobicContact CB-CD 4.34Å; L620-K622 HydrophobicContact CB-CG 4.16Å; L620-K622 PolarHBondContact O-N 3.46Å
623	Q	65.5	Low	93	Very high	245 Å²	245	69.3 Å²	69.3	100%	1.145	37%	0.374	S	S	*	.			trans	-86.1	0	174.5	-76	-172.7	-10.5	0	0	111

Retrieved 623 of 623 residues in 1277.8 ms (Link to these results)

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