A0A077Z8P9_TRITR Loading...

NADPH-dependent diflavin oxidoreductase 1

NADPH-dependent reductase which is a central component of the cytosolic iron-sulfur (Fe-S) protein assembly (CIA) machinery. Transfers electrons from NADPH via its FAD and FMN prosthetic groups to the [2Fe-2S] cluster of the anamorsin/DRE2 homolog, another key component of the CIA machinery. In turn, this reduced cluster provides electrons for assembly of cytosolic iron-sulfur cluster proteins.

AlphaFold DB , UniProt , Accession A0A077Z8P9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 589 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.4	Low	89.2	Confident	202 Å²	202	34.3 Å²	34.3	100%	0.995	20%	0.202	S	C	*	.				0	141.6	0	-74	-174.6	-80.5	0	0	107.9	Q159	M1-Q159 PolarHBondContact O-NE2 2.75Å
2	A	75	Confident	89.3	Confident	84 Å²	84	37.1 Å²	37.1	69%	0.694	21%	0.211	S	C	*	.			trans	-63.4	141	173.9	0	0	0	0	0	109.8	S4	A2-S4 PolarHBondContact O-N 2.66Å
3	V	83.1	Confident	89.2	Confident	3 Å²	3	40 Å²	40	2%	0.018	23%	0.23	C	C	.	.			trans	-66	122.2	175.2	178.8	0	0	0	0	108.6	L5 L32 M152 Y156 Q159 V160	V3-L5 HydrophobicContact CG1-CB 4.45Å; V3-L32 HydrophobicContact CB-CD2 4.21Å; V3-L32 HydrophobicContact CG1-CD2 4.37Å; V3-M152 HydrophobicContact CG1-CE 3.8Å; V3-Y156 HydrophobicContact CG1-CD2 4.5Å; V3-Y156 HydrophobicContact CG2-CD1 3.55Å; V3-Y156 HydrophobicContact CG2-CD2 3.73Å; V3-Y156 HydrophobicContact CG2-CE1 4.13Å; V3-Y156 HydrophobicContact CG2-CE2 4.29Å; V3-Y156 HydrophobicContact CG2-CG 3.31Å; V3-Q159 HydrophobicContact CG2-CB 4.05Å; V3-V160 HydrophobicContact CG2-CG2 4.14Å
4	S	91.1	Very high	89.3	Confident	40 Å²	40	37.6 Å²	37.6	28%	0.28	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	110.6	167.9	-177.2	0	0	0	0	107.8	A2 T53	A2-S4 PolarHBondContact O-N 2.66Å; S4-T53 PolarHBondContact O-N 3.07Å
5	L	95.5	Very high	89.6	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.7	-177.5	-179	62.8	0	0	0	110.4	V3 I7 A27 N33 V34 Q35 T53 V55 F148 W149	V3-L5 HydrophobicContact CG1-CB 4.45Å; L5-I7 HydrophobicContact CD2-CD1 4.36Å; L5-I7 HydrophobicContact CD2-CG1 4.46Å; L5-I7 HydrophobicContact CG-CG1 4.24Å; L5-A27 HydrophobicContact CD2-CB 3.87Å; L5-N33 PolarHBondContact N-O 3.04Å; L5-N33 VanDerWaalsContact N-O 3.08Å; L5-V34 HydrophobicContact CB-CB 4.31Å; L5-V34 HydrophobicContact CB-CG2 4.02Å; L5-V34 HydrophobicContact CD2-CG2 3.83Å; L5-V34 HydrophobicContact CG-CG2 3.86Å; L5-V34 CarbonylContact O-C 3.58Å; L5-V34 WeakPolarHBondContact O-CA 3.49Å; L5-Q35 PolarHBondContact O-N 3.46Å; L5-T53 CarbonylContact C-O 3.57Å; L5-T53 WeakPolarHBondContact CA-O 3.29Å; L5-T53 HydrophobicContact CD1-CG2 3.89Å; L5-V55 HydrophobicContact CD1-CG2 3.93Å; L5-F148 HydrophobicContact CD1-CZ 4.11Å; L5-W149 HydrophobicContact CD2-CH2 4.26Å
6	T	96.2	Very high	90	Very high	5 Å²	5	35 Å²	35	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.2	173.7	-57.3	0	0	0	0	108.8	L8 F42 Q52 T53 V54 V55	T6-L8 HydrophobicContact CG2-CD1 4.44Å; T6-L8 HydrophobicContact CG2-CD2 3.6Å; T6-L8 HydrophobicContact CG2-CG 3.82Å; T6-F42 HydrophobicContact CG2-CD2 4.05Å; T6-F42 HydrophobicContact CG2-CE2 3.65Å; T6-F42 HydrophobicContact CG2-CZ 4.44Å; T6-Q52 PolarHBondContact OG1-OE1 2.94Å; T6-T53 PolarHBondContact N-O 3.15Å; T6-V54 HydrophobicContact CG2-CG1 4.43Å; T6-V54 CarbonylContact O-C 3.41Å; T6-V54 VanDerWaalsContact O-CA 3.24Å; T6-V54 WeakPolarHBondContact O-CA 3.3Å; T6-V55 PolarHBondContact O-N 2.86Å
7	I	97.4	Very high	90.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.1	175.5	-56.7	168.1	0	0	0	107.9	L5 A20 I23 W24 V34 Q35 L36 R37 V55	L5-I7 HydrophobicContact CD2-CD1 4.36Å; L5-I7 HydrophobicContact CD2-CG1 4.46Å; L5-I7 HydrophobicContact CG-CG1 4.24Å; I7-A20 HydrophobicContact CG2-CB 3.76Å; I7-I23 HydrophobicContact CD1-CB 4.13Å; I7-I23 HydrophobicContact CD1-CG2 3.7Å; I7-I23 HydrophobicContact CG1-CG2 4.43Å; I7-W24 VanDerWaalsContact CD1-CA 3.41Å; I7-W24 HydrophobicContact CD1-CB 3.72Å; I7-V34 HydrophobicContact CD1-CG2 3.75Å; I7-V34 HydrophobicContact CG1-CG2 4.15Å; I7-Q35 PolarHBondContact N-O 2.91Å; I7-L36 HydrophobicContact CB-CD1 4.09Å; I7-L36 HydrophobicContact CG2-CD1 3.84Å; I7-L36 WeakPolarHBondContact O-CA 3.22Å; I7-R37 PolarHBondContact O-N 3.41Å; I7-V55 WeakPolarHBondContact CA-O 3.25Å; I7-V55 HydrophobicContact CG1-CB 4.33Å
8	L	97.7	Very high	90.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.7	-179.1	-59.8	-175.2	0	0	0	110.2	T6 R37 M39 F42 V54 V55 F56 V57 F73	T6-L8 HydrophobicContact CG2-CD1 4.44Å; T6-L8 HydrophobicContact CG2-CD2 3.6Å; T6-L8 HydrophobicContact CG2-CG 3.82Å; L8-R37 WeakPolarHBondContact CA-O 3.39Å; L8-R37 HydrophobicContact CD2-CB 3.92Å; L8-M39 HydrophobicContact CB-CG 3.92Å; L8-F42 HydrophobicContact CD1-CB 4.24Å; L8-F42 HydrophobicContact CD1-CD1 3.94Å; L8-F42 HydrophobicContact CD1-CD2 4.22Å; L8-F42 HydrophobicContact CD1-CE1 4.31Å; L8-F42 HydrophobicContact CD1-CG 3.86Å; L8-F42 HydrophobicContact CD2-CB 3.75Å; L8-F42 HydrophobicContact CD2-CD2 3.63Å; L8-F42 HydrophobicContact CD2-CE2 4.38Å; L8-F42 HydrophobicContact CD2-CG 3.76Å; L8-F42 HydrophobicContact CG-CG 4.48Å; L8-V54 HydrophobicContact CD1-CG1 3.85Å; L8-V54 HydrophobicContact CG-CG1 3.98Å; L8-V55 PolarHBondContact N-O 3.43Å; L8-F56 HydrophobicContact CB-CD1 4.08Å; L8-F56 HydrophobicContact CB-CE1 4.27Å; L8-F56 HydrophobicContact CD1-CD1 4.37Å; L8-F56 HydrophobicContact CD1-CE1 3.72Å; L8-F56 HydrophobicContact CD1-CZ 4.21Å; L8-F56 CarbonylContact O-C 3.45Å; L8-F56 WeakPolarHBondContact O-CA 3.35Å; L8-V57 PolarHBondContact O-N 3.18Å; L8-F73 HydrophobicContact CD1-CE2 4.22Å; L8-F73 HydrophobicContact CD1-CZ 4.46Å
9	Y	97.7	Very high	90.8	Very high	32 Å²	32	34.4 Å²	34.4	13%	0.125	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.6	177.7	69.3	-91.6	0	0	0	114	K17 A20 L36 R37 C38 M39 V57	Y9-K17 HydrophobicContact CD2-CB 3.81Å; Y9-K17 HydrophobicContact CD2-CG 4.16Å; Y9-K17 HydrophobicContact CE1-CG 4.18Å; Y9-K17 HydrophobicContact CE2-CB 3.79Å; Y9-K17 HydrophobicContact CE2-CD 4.05Å; Y9-K17 HydrophobicContact CE2-CG 3.74Å; Y9-K17 HydrophobicContact CG-CB 4.34Å; Y9-A20 HydrophobicContact CD1-CB 4.1Å; Y9-A20 HydrophobicContact CG-CB 4.23Å; Y9-L36 HydrophobicContact CD1-CD1 3.78Å; Y9-L36 HydrophobicContact CD1-CG 4.46Å; Y9-L36 HydrophobicContact CE1-CD1 4.07Å; Y9-L36 HydrophobicContact CE1-CG 4.25Å; Y9-R37 WeakPolarHBondContact CD1-O 3.16Å; Y9-R37 VanDerWaalsContact CE1-C 3.42Å; Y9-R37 WeakPolarHBondContact CE1-O 3.36Å; Y9-R37 PolarHBondContact N-O 2.89Å; Y9-C38 HydrophobicContact CD2-CB 4.28Å; Y9-C38 HydrophobicContact CE1-CB 4.17Å; Y9-C38 HydrophobicContact CE2-CB 3.66Å; Y9-C38 WeakPolarHBondContact O-CA 3.3Å; Y9-M39 WeakPolarHBondContact O-CG 3.31Å; Y9-M39 PolarHBondContact O-N 2.91Å; Y9-V57 CarbonylContact C-O 3.59Å; Y9-V57 WeakPolarHBondContact CA-O 3.47Å
10	G	97.2	Very high	91	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.3	165.6	0	0	0	0	0	106.9	A16 V57 C58 S59 N69	G10-A16 WeakPolarHBondContact O-CB 3.44Å; G10-V57 PolarHBondContact N-O 3.23Å; G10-C58 CarbonylContact O-C 3.57Å; G10-C58 WeakPolarHBondContact O-CA 3.35Å; G10-S59 PolarHBondContact O-N 3.17Å; G10-S59 PolarHBondContact O-OG 3Å; G10-N69 WeakPolarHBondContact CA-OD1 3.38Å
11	S	94.9	Very high	91.1	Very high	10 Å²	10	31.8 Å²	31.8	7%	0.07	18%	0.178	C	C	.	.			trans	-143.5	120.7	-169.1	-173.3	0	0	0	0	111.1	G14 K17 S59 N69	S11-G14 WeakPolarHBondContact OG-CA 3.26Å; S11-G14 PolarHBondContact OG-N 3.38Å; S11-G14 PolarHBondContact OG-O 3.17Å; S11-K17 PolarHBondContact OG-N 3.05Å; S11-S59 WeakPolarHBondContact CA-OG 3.48Å; S11-N69 PolarHBondContact N-ND2 3.38Å; S11-N69 PolarHBondContact N-OD1 2.92Å; S11-N69 PolarHBondContact O-ND2 3.23Å; S11-N69 PolarHBondContact O-OD1 3.43Å
12	E	90.2	Very high	92.9	Very high	68 Å²	68	24.1 Å²	24.1	32%	0.318	14%	0.141	S	C	.	.	S	Bend	trans	-90	-48.6	178.1	-168.9	66.3	-154.3	0	0	111.6	S59 T61 P67 D68 R377	E12-S59 PolarHBondContact N-OG 3.46Å; E12-T61 HydrophobicContact CB-CG2 3.24Å; E12-T61 HydrophobicContact CG-CG2 3.42Å; E12-T61 VanDerWaalsContact CG-CG2 3.42Å; E12-P67 HydrophobicContact CB-CB 4.28Å; E12-P67 WeakPolarHBondContact OE2-CA 3.45Å; E12-D68 PolarHBondContact OE2-N 3.35Å; E12-R377 PolarHBondContact O-NE 3.48Å; E12-R377 PolarHBondContact O-NH1 2.91Å; E12-R377 PolarHBondContact O-NH2 3.26Å
13	T	87.8	Confident	93.9	Very high	75 Å²	75	20.1 Å²	20.1	46%	0.46	11%	0.108	S	C	.	.	S	Bend	trans	-98.4	-6.4	-176.3	58.4	0	0	0	0	114.1	R377	T13-R377 PolarHBondContact O-NH2 2.92Å
14	G	91.2	Very high	94.4	Very high	6 Å²	6	20.2 Å²	20.2	6%	0.062	11%	0.108	C	C	.	.	S	Bend	trans	105.3	-25.7	179.6	0	0	0	0	0	113.4	S11 A16 K17 D18 R307	S11-G14 WeakPolarHBondContact OG-CA 3.26Å; S11-G14 PolarHBondContact OG-N 3.38Å; S11-G14 PolarHBondContact OG-O 3.17Å; G14-A16 VanDerWaalsContact C-N 3.34Å; G14-A16 PolarHBondContact O-N 3.03Å; G14-K17 CarbonylContact O-C 3.6Å; G14-K17 WeakPolarHBondContact O-CA 3.38Å; G14-K17 VanDerWaalsContact O-CB 3.24Å; G14-K17 WeakPolarHBondContact O-CB 3.17Å; G14-K17 PolarHBondContact O-N 3.2Å; G14-D18 PolarHBondContact O-N 3.04Å; G14-R307 VanDerWaalsContact CA-NH1 3.33Å; G14-R307 PolarHBondContact O-NH1 3.44Å
15	N	93.7	Very high	94.5	Very high	34 Å²	34	18.7 Å²	18.7	18%	0.182	10%	0.096	C	C	.	.	H	α-helix	trans	-55.7	-45.8	-172.9	-65.1	-16.3	0	0	0	112.7	K17 D18 V19 L96 Y137 R307	N15-K17 PolarHBondContact O-N 3.09Å; N15-D18 PolarHBondContact O-N 3.33Å; N15-V19 PolarHBondContact O-N 3.11Å; N15-V19 VanDerWaalsContact O-N 3.08Å; N15-L96 HydrophobicContact CB-CD2 3.71Å; N15-Y137 HydrophobicContact CB-CE1 4.17Å; N15-R307 WeakPolarHBondContact OD1-CD 3.44Å
16	A	96.6	Very high	94.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.6	-27	176.9	0	0	0	0	0	113	G10 G14 A20 V57 L96	G10-A16 WeakPolarHBondContact O-CB 3.44Å; G14-A16 VanDerWaalsContact C-N 3.34Å; G14-A16 PolarHBondContact O-N 3.03Å; A16-A20 VanDerWaalsContact O-CB 3.3Å; A16-A20 WeakPolarHBondContact O-CB 3.31Å; A16-A20 PolarHBondContact O-N 2.96Å; A16-A20 VanDerWaalsContact O-N 3.1Å; A16-V57 HydrophobicContact CB-CG1 3.89Å; A16-V57 VanDerWaalsContact O-CG1 3.28Å; A16-V57 WeakPolarHBondContact O-CG1 3.4Å; A16-L96 HydrophobicContact CB-CD1 4.29Å; A16-L96 HydrophobicContact CB-CD2 4.31Å
17	K	94.8	Very high	94.3	Very high	78 Å²	78	19.2 Å²	19.2	34%	0.339	10%	0.098	S	C	.	.	H	α-helix	trans	-70.3	-44.7	173.2	178.8	-174.2	174.5	-170.1	0	110	Y9 S11 G14 N15 V19 A20 T21	Y9-K17 HydrophobicContact CD2-CB 3.81Å; Y9-K17 HydrophobicContact CD2-CG 4.16Å; Y9-K17 HydrophobicContact CE1-CG 4.18Å; Y9-K17 HydrophobicContact CE2-CB 3.79Å; Y9-K17 HydrophobicContact CE2-CD 4.05Å; Y9-K17 HydrophobicContact CE2-CG 3.74Å; Y9-K17 HydrophobicContact CG-CB 4.34Å; S11-K17 PolarHBondContact OG-N 3.05Å; G14-K17 CarbonylContact O-C 3.6Å; G14-K17 WeakPolarHBondContact O-CA 3.38Å; G14-K17 VanDerWaalsContact O-CB 3.24Å; G14-K17 WeakPolarHBondContact O-CB 3.17Å; G14-K17 PolarHBondContact O-N 3.2Å; N15-K17 PolarHBondContact O-N 3.09Å; K17-V19 PolarHBondContact O-N 3.3Å; K17-A20 WeakPolarHBondContact O-CB 3.39Å; K17-A20 PolarHBondContact O-N 3.34Å; K17-T21 WeakPolarHBondContact O-CB 3.46Å; K17-T21 PolarHBondContact O-N 3.36Å; K17-T21 PolarHBondContact O-OG1 3.26Å; K17-T21 VanDerWaalsContact O-OG1 3.09Å
18	D	93.6	Very high	94	Very high	11 Å²	11	21.1 Å²	21.1	6%	0.059	11%	0.108	C	C	.	.	H	α-helix	trans	-62.7	-44.2	179.9	-72.1	19.5	0	0	0	111.6	G14 N15 A20 T21 M22 R307 L309	G14-D18 PolarHBondContact O-N 3.04Å; N15-D18 PolarHBondContact O-N 3.33Å; D18-A20 VanDerWaalsContact C-N 3.34Å; D18-A20 PolarHBondContact O-N 2.98Å; D18-T21 WeakPolarHBondContact O-CB 3.2Å; D18-T21 PolarHBondContact O-N 2.87Å; D18-M22 PolarHBondContact O-N 3.43Å; D18-R307 VanDerWaalsContact CG-CZ 3.45Å; D18-R307 IonicContact OD1-CZ 3.41Å; D18-R307 IonicContact OD1-NH1 2.71Å; D18-R307 PolarHBondContact OD1-NH1 3.06Å; D18-R307 IonicContact OD1-NH2 3.9Å; D18-R307 PolarHBondContact OD1-NH2 3.45Å; D18-R307 IonicContact OD2-CZ 3.32Å; D18-R307 IonicContact OD2-NE 2.68Å; D18-R307 IonicContact OD2-NH1 3.11Å; D18-R307 PolarHBondContact OD2-NH1 2.85Å; D18-R307 IonicContact OD2-NH2 2.66Å; D18-R307 PolarHBondContact OD2-NH2 3.23Å; D18-L309 HydrophobicContact CB-CB 4.14Å; D18-L309 HydrophobicContact CB-CD2 4Å; D18-L309 VanDerWaalsContact OD2-CB 3.27Å; D18-L309 WeakPolarHBondContact OD2-CB 3.5Å
19	V	95.6	Very high	93.7	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.03	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-43.3	174.9	172.6	0	0	0	0	110.9	N15 K17 T21 M22 I23 V57 L94 L96 Y137 V141	N15-V19 PolarHBondContact O-N 3.11Å; N15-V19 VanDerWaalsContact O-N 3.08Å; K17-V19 PolarHBondContact O-N 3.3Å; V19-T21 VanDerWaalsContact C-N 3.35Å; V19-T21 PolarHBondContact O-N 3.28Å; V19-M22 HydrophobicContact CG1-CE 4.45Å; V19-M22 WeakPolarHBondContact O-CB 3.33Å; V19-M22 PolarHBondContact O-N 3.3Å; V19-I23 HydrophobicContact CG1-CD1 4.18Å; V19-I23 WeakPolarHBondContact O-CG1 3.34Å; V19-I23 PolarHBondContact O-N 3.14Å; V19-V57 HydrophobicContact CB-CG1 4.02Å; V19-V57 HydrophobicContact CG1-CG1 3.9Å; V19-V57 HydrophobicContact CG1-CG2 4.48Å; V19-L94 HydrophobicContact CG1-CD2 3.72Å; V19-L96 HydrophobicContact CG2-CD2 4.14Å; V19-Y137 HydrophobicContact CG2-CD2 4.29Å; V19-Y137 HydrophobicContact CG2-CE2 3.83Å; V19-V141 HydrophobicContact CG1-CG1 3.64Å; V19-V141 HydrophobicContact CG1-CG2 4.43Å; V19-V141 HydrophobicContact CG2-CG1 4.08Å; V19-V141 HydrophobicContact CG2-CG2 4.29Å
20	A	96.2	Very high	93.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.6	-40.2	174.6	0	0	0	0	0	112.6	I7 Y9 A16 K17 D18 I23 W24 L36 V57	I7-A20 HydrophobicContact CG2-CB 3.76Å; Y9-A20 HydrophobicContact CD1-CB 4.1Å; Y9-A20 HydrophobicContact CG-CB 4.23Å; A16-A20 VanDerWaalsContact O-CB 3.3Å; A16-A20 WeakPolarHBondContact O-CB 3.31Å; A16-A20 PolarHBondContact O-N 2.96Å; A16-A20 VanDerWaalsContact O-N 3.1Å; K17-A20 WeakPolarHBondContact O-CB 3.39Å; K17-A20 PolarHBondContact O-N 3.34Å; D18-A20 VanDerWaalsContact C-N 3.34Å; D18-A20 PolarHBondContact O-N 2.98Å; A20-I23 PolarHBondContact O-N 2.93Å; A20-W24 VanDerWaalsContact O-CB 3.29Å; A20-W24 WeakPolarHBondContact O-CB 3.5Å; A20-W24 PolarHBondContact O-N 2.99Å; A20-L36 HydrophobicContact CB-CD1 3.76Å; A20-V57 HydrophobicContact CB-CB 4.15Å; A20-V57 HydrophobicContact CB-CG2 3.96Å
21	T	93.2	Very high	93	Very high	13 Å²	13	30.6 Å²	30.6	8%	0.08	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-39.1	174.9	-66.3	0	0	0	0	111.8	K17 D18 V19 W24 R25 L309	K17-T21 WeakPolarHBondContact O-CB 3.46Å; K17-T21 PolarHBondContact O-N 3.36Å; K17-T21 PolarHBondContact O-OG1 3.26Å; K17-T21 VanDerWaalsContact O-OG1 3.09Å; D18-T21 WeakPolarHBondContact O-CB 3.2Å; D18-T21 PolarHBondContact O-N 2.87Å; V19-T21 VanDerWaalsContact C-N 3.35Å; V19-T21 PolarHBondContact O-N 3.28Å; T21-W24 HydrophobicContact CG2-CE3 4.3Å; T21-W24 PolarHBondContact O-N 3.47Å; T21-R25 WeakPolarHBondContact O-CG 3.37Å; T21-R25 PolarHBondContact O-N 3.46Å; T21-L309 HydrophobicContact CG2-CD2 4.25Å
22	M	93.3	Very high	92.8	Very high	41 Å²	41	30.8 Å²	30.8	20%	0.202	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-51.3	174.6	178.9	-161.6	68.1	0	0	111	D18 V19 W24 R25 Q26 V141 V145 P167	D18-M22 PolarHBondContact O-N 3.43Å; V19-M22 HydrophobicContact CG1-CE 4.45Å; V19-M22 WeakPolarHBondContact O-CB 3.33Å; V19-M22 PolarHBondContact O-N 3.3Å; M22-W24 VanDerWaalsContact C-N 3.26Å; M22-W24 PolarHBondContact O-N 3.42Å; M22-R25 PolarHBondContact O-N 3.21Å; M22-Q26 WeakPolarHBondContact O-CG 3.34Å; M22-Q26 PolarHBondContact O-N 2.99Å; M22-V141 HydrophobicContact CE-CG1 4.05Å; M22-V145 HydrophobicContact CE-CB 4.36Å; M22-V145 HydrophobicContact CE-CG1 4.17Å; M22-V145 HydrophobicContact CE-CG2 3.8Å; M22-P167 HydrophobicContact CG-CG 4.29Å
23	I	95.3	Very high	92.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-39.6	177.7	-61	167.2	0	0	0	110.3	I7 V19 A20 Q26 A27 V55 V57 W144 V145 F148 W149	I7-I23 HydrophobicContact CD1-CB 4.13Å; I7-I23 HydrophobicContact CD1-CG2 3.7Å; I7-I23 HydrophobicContact CG1-CG2 4.43Å; V19-I23 HydrophobicContact CG1-CD1 4.18Å; V19-I23 WeakPolarHBondContact O-CG1 3.34Å; V19-I23 PolarHBondContact O-N 3.14Å; A20-I23 PolarHBondContact O-N 2.93Å; I23-Q26 PolarHBondContact O-N 2.96Å; I23-A27 PolarHBondContact O-N 3.25Å; I23-V55 HydrophobicContact CD1-CG1 4.22Å; I23-V57 HydrophobicContact CD1-CG2 4.14Å; I23-W144 HydrophobicContact CD1-CZ3 4.5Å; I23-V145 HydrophobicContact CD1-CG2 3.85Å; I23-V145 HydrophobicContact CG1-CG1 4.29Å; I23-V145 HydrophobicContact CG1-CG2 3.81Å; I23-F148 HydrophobicContact CG2-CE1 4.41Å; I23-W149 HydrophobicContact CG2-CZ2 4.21Å
24	W	94.1	Very high	93	Very high	5 Å²	5	28.6 Å²	28.6	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-46.7	176.8	172.8	67.7	0	0	0	112.6	I7 A20 T21 M22 Q26 A27 L28 L36 V276 I279	I7-W24 VanDerWaalsContact CD1-CA 3.41Å; I7-W24 HydrophobicContact CD1-CB 3.72Å; A20-W24 VanDerWaalsContact O-CB 3.29Å; A20-W24 WeakPolarHBondContact O-CB 3.5Å; A20-W24 PolarHBondContact O-N 2.99Å; T21-W24 HydrophobicContact CG2-CE3 4.3Å; T21-W24 PolarHBondContact O-N 3.47Å; M22-W24 VanDerWaalsContact C-N 3.26Å; M22-W24 PolarHBondContact O-N 3.42Å; W24-Q26 VanDerWaalsContact C-N 3.33Å; W24-Q26 PolarHBondContact O-N 3.41Å; W24-A27 WeakPolarHBondContact O-CB 3.48Å; W24-A27 PolarHBondContact O-N 3.34Å; W24-A27 VanDerWaalsContact O-N 3.13Å; W24-L28 HydrophobicContact CD2-CD1 4.04Å; W24-L28 HydrophobicContact CE3-CD1 4.34Å; W24-L28 HydrophobicContact CH2-CD1 3.94Å; W24-L28 HydrophobicContact CZ2-CD1 3.61Å; W24-L28 HydrophobicContact CZ3-CD1 4.3Å; W24-L28 WeakPolarHBondContact O-CG 3.39Å; W24-L28 PolarHBondContact O-N 3.45Å; W24-L36 HydrophobicContact CB-CB 4.16Å; W24-L36 HydrophobicContact CB-CD1 4.4Å; W24-L36 HydrophobicContact CB-CD2 4.11Å; W24-L36 HydrophobicContact CB-CG 4.45Å; W24-L36 HydrophobicContact CD2-CB 4.09Å; W24-L36 HydrophobicContact CD2-CD2 3.94Å; W24-L36 HydrophobicContact CE3-CD2 3.95Å; W24-L36 HydrophobicContact CG-CB 3.72Å; W24-L36 HydrophobicContact CG-CD2 4.03Å; W24-L36 HydrophobicContact CG-CG 4.38Å; W24-V276 HydrophobicContact CH2-CB 4.43Å; W24-V276 HydrophobicContact CH2-CG2 4.4Å; W24-V276 HydrophobicContact CZ2-CB 3.89Å; W24-V276 HydrophobicContact CZ2-CG1 3.95Å; W24-V276 HydrophobicContact CZ2-CG2 4.24Å; W24-I279 HydrophobicContact CH2-CD1 3.93Å; W24-I279 HydrophobicContact CZ2-CB 4.19Å; W24-I279 HydrophobicContact CZ2-CD1 4.37Å; W24-I279 HydrophobicContact CZ3-CD1 4.36Å
25	R	92.4	Very high	93.2	Very high	8 Å²	8	31 Å²	31	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-38.4	176.9	-72.7	-178.4	176.9	167	1.6	112.2	T21 M22 A27 L28 Q29 P167 D371	T21-R25 WeakPolarHBondContact O-CG 3.37Å; T21-R25 PolarHBondContact O-N 3.46Å; M22-R25 PolarHBondContact O-N 3.21Å; R25-A27 VanDerWaalsContact C-N 3.32Å; R25-A27 PolarHBondContact O-N 3.48Å; R25-L28 PolarHBondContact O-N 3.39Å; R25-Q29 PolarHBondContact O-N 2.91Å; R25-Q29 VanDerWaalsContact O-N 3.16Å; R25-Q29 PolarHBondContact O-NE2 2.76Å; R25-Q29 VanDerWaalsContact O-NE2 3.13Å; R25-P167 HydrophobicContact CB-CB 3.53Å; R25-P167 HydrophobicContact CB-CG 4.47Å; R25-D371 IonicContact NH2-OD2 3.65Å
26	Q	93.9	Very high	93.2	Very high	17 Å²	17	29.8 Å²	29.8	8%	0.079	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-39.4	172.7	-76.5	-177	-33.4	0	0	112.1	M22 I23 W24 L28 Q29 Q30 V145 W149 V164 G165 P167	M22-Q26 WeakPolarHBondContact O-CG 3.34Å; M22-Q26 PolarHBondContact O-N 2.99Å; I23-Q26 PolarHBondContact O-N 2.96Å; W24-Q26 VanDerWaalsContact C-N 3.33Å; W24-Q26 PolarHBondContact O-N 3.41Å; Q26-L28 VanDerWaalsContact C-N 3.35Å; Q26-L28 PolarHBondContact O-N 3.12Å; Q26-Q29 PolarHBondContact O-N 2.79Å; Q26-Q30 WeakPolarHBondContact O-CG 3.38Å; Q26-V145 VanDerWaalsContact OE1-CG1 3.23Å; Q26-W149 HydrophobicContact CB-CZ2 3.66Å; Q26-V164 HydrophobicContact CB-CG1 3.82Å; Q26-V164 HydrophobicContact CG-CG1 4.01Å; Q26-G165 PolarHBondContact NE2-O 3.48Å; Q26-G165 VanDerWaalsContact NE2-O 3.1Å; Q26-P167 HydrophobicContact CG-CB 4.39Å
27	A	93.6	Very high	93	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.7	-39	174.5	0	0	0	0	0	112.5	L5 I23 W24 R25 Q30 L32 V34 W149	L5-A27 HydrophobicContact CD2-CB 3.87Å; I23-A27 PolarHBondContact O-N 3.25Å; W24-A27 WeakPolarHBondContact O-CB 3.48Å; W24-A27 PolarHBondContact O-N 3.34Å; W24-A27 VanDerWaalsContact O-N 3.13Å; R25-A27 VanDerWaalsContact C-N 3.32Å; R25-A27 PolarHBondContact O-N 3.48Å; A27-Q30 WeakPolarHBondContact O-CB 3.45Å; A27-Q30 PolarHBondContact O-N 2.73Å; A27-Q30 VanDerWaalsContact O-N 3.14Å; A27-L32 HydrophobicContact CB-CB 4.48Å; A27-L32 HydrophobicContact CB-CD1 4.27Å; A27-L32 WeakPolarHBondContact O-CB 3.39Å; A27-L32 PolarHBondContact O-N 2.82Å; A27-V34 HydrophobicContact CB-CB 3.91Å; A27-V34 HydrophobicContact CB-CG1 3.85Å; A27-V34 HydrophobicContact CB-CG2 3.84Å; A27-W149 HydrophobicContact CB-CH2 3.71Å; A27-W149 HydrophobicContact CB-CZ2 4.28Å
28	L	91.4	Very high	92.9	Very high	41 Å²	41	30.2 Å²	30.2	22%	0.215	15%	0.15	C	C	.	.	H	α-helix	trans	-65.7	-36	177.6	-66.8	175.3	0	0	0	113.3	W24 R25 Q26 Q30 D31 V34 V276	W24-L28 HydrophobicContact CD2-CD1 4.04Å; W24-L28 HydrophobicContact CE3-CD1 4.34Å; W24-L28 HydrophobicContact CH2-CD1 3.94Å; W24-L28 HydrophobicContact CZ2-CD1 3.61Å; W24-L28 HydrophobicContact CZ3-CD1 4.3Å; W24-L28 WeakPolarHBondContact O-CG 3.39Å; W24-L28 PolarHBondContact O-N 3.45Å; R25-L28 PolarHBondContact O-N 3.39Å; Q26-L28 VanDerWaalsContact C-N 3.35Å; Q26-L28 PolarHBondContact O-N 3.12Å; L28-Q30 PolarHBondContact O-N 3.07Å; L28-D31 PolarHBondContact O-N 3.28Å; L28-V34 HydrophobicContact CD2-CG1 3.5Å; L28-V34 HydrophobicContact CG-CG1 3.98Å; L28-V276 HydrophobicContact CD1-CB 4.42Å; L28-V276 HydrophobicContact CD1-CG1 3.88Å; L28-V276 HydrophobicContact CD1-CG2 3.9Å; L28-V276 HydrophobicContact CD2-CG1 3.37Å; L28-V276 HydrophobicContact CG-CG1 4.26Å
29	Q	91.1	Very high	93	Very high	54 Å²	54	29.7 Å²	29.7	25%	0.252	15%	0.148	S	C	.	.	H	α-helix	trans	-65.4	-18.4	173.3	-81.3	142.6	41.6	0	0	114.2	R25 Q26 D31 P167 L168	R25-Q29 PolarHBondContact O-N 2.91Å; R25-Q29 VanDerWaalsContact O-N 3.16Å; R25-Q29 PolarHBondContact O-NE2 2.76Å; R25-Q29 VanDerWaalsContact O-NE2 3.13Å; Q26-Q29 PolarHBondContact O-N 2.79Å; Q29-D31 VanDerWaalsContact C-N 3.31Å; Q29-P167 VanDerWaalsContact NE2-C 3.32Å; Q29-L168 HydrophobicContact CG-CB 4.21Å; Q29-L168 HydrophobicContact CG-CD1 4.32Å; Q29-L168 PolarHBondContact NE2-O 2.98Å
30	Q	90.8	Very high	92.8	Very high	23 Å²	23	31.1 Å²	31.1	11%	0.107	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	10.2	175	-60.8	-67.3	-13.6	0	0	111.5	Q26 A27 L28 L32 V164	Q26-Q30 WeakPolarHBondContact O-CG 3.38Å; A27-Q30 WeakPolarHBondContact O-CB 3.45Å; A27-Q30 PolarHBondContact O-N 2.73Å; A27-Q30 VanDerWaalsContact O-N 3.14Å; L28-Q30 PolarHBondContact O-N 3.07Å; Q30-L32 HydrophobicContact CB-CD1 4.05Å; Q30-L32 HydrophobicContact CB-CD2 4.45Å; Q30-L32 HydrophobicContact CB-CG 3.78Å; Q30-L32 PolarHBondContact O-N 3.32Å; Q30-L32 VanDerWaalsContact O-N 3.13Å; Q30-V164 HydrophobicContact CG-CG1 4.19Å; Q30-V164 HydrophobicContact CG-CG2 4.04Å
31	D	89.3	Confident	92.4	Very high	154 Å²	154	33.2 Å²	33.2	82%	0.824	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	28.3	-177.4	-59.3	-56.7	0	0	0	113.4	L28 Q29	L28-D31 PolarHBondContact O-N 3.28Å; Q29-D31 VanDerWaalsContact C-N 3.31Å
32	L	90.9	Very high	92.4	Very high	14 Å²	14	33.2 Å²	33.2	7%	0.073	17%	0.165	C	C	.	.			trans	-78.4	144.4	-178.6	-59.3	178.1	0	0	0	111.5	V3 A27 Q30 V34 W149 V160	V3-L32 HydrophobicContact CB-CD2 4.21Å; V3-L32 HydrophobicContact CG1-CD2 4.37Å; A27-L32 HydrophobicContact CB-CB 4.48Å; A27-L32 HydrophobicContact CB-CD1 4.27Å; A27-L32 WeakPolarHBondContact O-CB 3.39Å; A27-L32 PolarHBondContact O-N 2.82Å; Q30-L32 HydrophobicContact CB-CD1 4.05Å; Q30-L32 HydrophobicContact CB-CD2 4.45Å; Q30-L32 HydrophobicContact CB-CG 3.78Å; Q30-L32 PolarHBondContact O-N 3.32Å; Q30-L32 VanDerWaalsContact O-N 3.13Å; L32-V34 PolarHBondContact O-N 2.89Å; L32-W149 HydrophobicContact CD1-CH2 4.13Å; L32-W149 HydrophobicContact CD1-CZ3 3.81Å; L32-V160 HydrophobicContact CD1-CG2 4.12Å; L32-V160 HydrophobicContact CD2-CG2 3.9Å
33	N	89.7	Confident	92.2	Very high	95 Å²	95	32.4 Å²	32.4	51%	0.508	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	98.2	166.3	-177.5	12.3	0	0	0	109.4	L5	L5-N33 PolarHBondContact N-O 3.04Å; L5-N33 VanDerWaalsContact N-O 3.08Å
34	V	93.4	Very high	92.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.5	-173.1	65.5	0	0	0	0	112.5	L5 I7 A27 L28 L32	L5-V34 HydrophobicContact CB-CB 4.31Å; L5-V34 HydrophobicContact CB-CG2 4.02Å; L5-V34 HydrophobicContact CD2-CG2 3.83Å; L5-V34 HydrophobicContact CG-CG2 3.86Å; L5-V34 CarbonylContact O-C 3.58Å; L5-V34 WeakPolarHBondContact O-CA 3.49Å; I7-V34 HydrophobicContact CD1-CG2 3.75Å; I7-V34 HydrophobicContact CG1-CG2 4.15Å; A27-V34 HydrophobicContact CB-CB 3.91Å; A27-V34 HydrophobicContact CB-CG1 3.85Å; A27-V34 HydrophobicContact CB-CG2 3.84Å; L28-V34 HydrophobicContact CD2-CG1 3.5Å; L28-V34 HydrophobicContact CG-CG1 3.98Å; L32-V34 PolarHBondContact O-N 2.89Å
35	Q	93.6	Very high	91.8	Very high	57 Å²	57	35.4 Å²	35.4	27%	0.266	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.8	170.9	-55.9	-167.4	4.3	0	0	111.2	L5 I7 R37 G278	L5-Q35 PolarHBondContact O-N 3.46Å; I7-Q35 PolarHBondContact N-O 2.91Å; Q35-R37 VanDerWaalsContact OE1-NH2 3.09Å; Q35-G278 WeakPolarHBondContact CA-O 3.09Å
36	L	94.1	Very high	91.7	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.8	172.4	175.7	66.5	0	0	0	109.3	I7 Y9 A20 W24 G278	I7-L36 HydrophobicContact CB-CD1 4.09Å; I7-L36 HydrophobicContact CG2-CD1 3.84Å; I7-L36 WeakPolarHBondContact O-CA 3.22Å; Y9-L36 HydrophobicContact CD1-CD1 3.78Å; Y9-L36 HydrophobicContact CD1-CG 4.46Å; Y9-L36 HydrophobicContact CE1-CD1 4.07Å; Y9-L36 HydrophobicContact CE1-CG 4.25Å; A20-L36 HydrophobicContact CB-CD1 3.76Å; W24-L36 HydrophobicContact CB-CB 4.16Å; W24-L36 HydrophobicContact CB-CD1 4.4Å; W24-L36 HydrophobicContact CB-CD2 4.11Å; W24-L36 HydrophobicContact CB-CG 4.45Å; W24-L36 HydrophobicContact CD2-CB 4.09Å; W24-L36 HydrophobicContact CD2-CD2 3.94Å; W24-L36 HydrophobicContact CE3-CD2 3.95Å; W24-L36 HydrophobicContact CG-CB 3.72Å; W24-L36 HydrophobicContact CG-CD2 4.03Å; W24-L36 HydrophobicContact CG-CG 4.38Å; L36-G278 PolarHBondContact N-O 2.9Å
37	R	93.4	Very high	91.6	Very high	74 Å²	74	42.7 Å²	42.7	28%	0.279	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.8	179.7	-57.8	-166.6	-170.7	-148.2	-1.4	112.1	I7 L8 Y9 Q35 D41	I7-R37 PolarHBondContact O-N 3.41Å; L8-R37 WeakPolarHBondContact CA-O 3.39Å; L8-R37 HydrophobicContact CD2-CB 3.92Å; Y9-R37 WeakPolarHBondContact CD1-O 3.16Å; Y9-R37 VanDerWaalsContact CE1-C 3.42Å; Y9-R37 WeakPolarHBondContact CE1-O 3.36Å; Y9-R37 PolarHBondContact N-O 2.89Å; Q35-R37 VanDerWaalsContact OE1-NH2 3.09Å; R37-D41 PolarHBondContact NH1-O 3.23Å
38	C	92.5	Very high	91.5	Very high	12 Å²	12	43.5 Å²	43.5	8%	0.081	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	149.7	160.1	87.8	0	0	0	0	108.6	Y9 N40 D41 N69	Y9-C38 HydrophobicContact CD2-CB 4.28Å; Y9-C38 HydrophobicContact CE1-CB 4.17Å; Y9-C38 HydrophobicContact CE2-CB 3.66Å; Y9-C38 WeakPolarHBondContact O-CA 3.3Å; C38-N40 VanDerWaalsContact C-N 3.25Å; C38-N40 PolarHBondContact O-N 3Å; C38-D41 PolarHBondContact O-N 3.02Å; C38-D41 PolarHBondContact SG-OD2 3.48Å; C38-N69 HydrophobicContact CB-CB 4.38Å
39	M	95.3	Very high	91.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-59.3	-36.3	-174.6	-75	-178.3	-161.7	0	0	112.6	L8 Y9 D41 F42 F56 C58 M70 F73 L111	L8-M39 HydrophobicContact CB-CG 3.92Å; Y9-M39 WeakPolarHBondContact O-CG 3.31Å; Y9-M39 PolarHBondContact O-N 2.91Å; M39-D41 VanDerWaalsContact C-N 3.26Å; M39-D41 PolarHBondContact O-N 2.88Å; M39-F42 PolarHBondContact O-N 3.37Å; M39-F56 HydrophobicContact CE-CB 4.15Å; M39-F56 HydrophobicContact CE-CD1 3.7Å; M39-F56 HydrophobicContact CE-CG 4.43Å; M39-F56 HydrophobicContact SD-CD1 4.35Å; M39-C58 HydrophobicContact CE-CB 4.12Å; M39-M70 HydrophobicContact CB-CB 4.2Å; M39-M70 HydrophobicContact CB-CG 4.29Å; M39-M70 HydrophobicContact CE-SD 4.39Å; M39-M70 HydrophobicContact SD-CB 4.04Å; M39-M70 HydrophobicContact SD-CE 3.91Å; M39-M70 HydrophobicContact SD-CG 3.49Å; M39-M70 WeakPolarHBondContact SD-CG 3.41Å; M39-M70 HydrophobicContact SD-SD 3.54Å; M39-F73 HydrophobicContact CB-CB 3.87Å; M39-F73 HydrophobicContact CB-CD1 4.29Å; M39-F73 HydrophobicContact CB-CD2 4.37Å; M39-F73 HydrophobicContact CB-CG 3.93Å; M39-F73 WeakPolarHBondContact O-CB 3.42Å; M39-F73 WeakPolarHBondContact O-CD2 3.46Å; M39-F73 HydrophobicContact SD-CD1 4.28Å; M39-L111 HydrophobicContact CE-CD2 3.93Å; M39-L111 HydrophobicContact SD-CD2 4.4Å
40	N	91.7	Very high	91.3	Very high	36 Å²	36	45.6 Å²	45.6	19%	0.193	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-66.3	-22.5	177.1	-75.6	-8.2	0	0	0	114.3	C38 F42 D68 N69 M70 K71 T72 F73	C38-N40 VanDerWaalsContact C-N 3.25Å; C38-N40 PolarHBondContact O-N 3Å; N40-F42 VanDerWaalsContact C-N 3.33Å; N40-D68 PolarHBondContact ND2-O 2.77Å; N40-N69 WeakPolarHBondContact CB-O 3.47Å; N40-N69 PolarHBondContact N-O 3.33Å; N40-N69 VanDerWaalsContact ND2-C 3.27Å; N40-N69 WeakPolarHBondContact ND2-CA 3.44Å; N40-N69 PolarHBondContact ND2-O 2.86Å; N40-N69 PolarHBondContact OD1-O 2.83Å; N40-M70 WeakPolarHBondContact OD1-CA 3.26Å; N40-M70 PolarHBondContact OD1-O 2.95Å; N40-K71 PolarHBondContact OD1-N 3.48Å; N40-T72 WeakPolarHBondContact OD1-CB 3.34Å; N40-T72 PolarHBondContact OD1-N 2.76Å; N40-F73 PolarHBondContact OD1-N 2.88Å
41	D	88.3	Confident	91.4	Very high	44 Å²	44	47.2 Å²	47.2	24%	0.235	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-91	2	179.3	-64.9	-22.9	0	0	0	113.1	R37 C38 M39 S195	R37-D41 PolarHBondContact NH1-O 3.23Å; C38-D41 PolarHBondContact O-N 3.02Å; C38-D41 PolarHBondContact SG-OD2 3.48Å; M39-D41 VanDerWaalsContact C-N 3.26Å; M39-D41 PolarHBondContact O-N 2.88Å; D41-S195 WeakPolarHBondContact OD1-CB 3.5Å
42	F	91.7	Very high	91.6	Very high	12 Å²	12	40.3 Å²	40.3	5%	0.053	22%	0.222	C	C	.	.	S	Bend	trans	-98.6	122	177.6	-173.8	-93.4	0	0	0	110.7	T6 L8 M39 N40 L44 N47 F73 W89	T6-F42 HydrophobicContact CG2-CD2 4.05Å; T6-F42 HydrophobicContact CG2-CE2 3.65Å; T6-F42 HydrophobicContact CG2-CZ 4.44Å; L8-F42 HydrophobicContact CD1-CB 4.24Å; L8-F42 HydrophobicContact CD1-CD1 3.94Å; L8-F42 HydrophobicContact CD1-CD2 4.22Å; L8-F42 HydrophobicContact CD1-CE1 4.31Å; L8-F42 HydrophobicContact CD1-CG 3.86Å; L8-F42 HydrophobicContact CD2-CB 3.75Å; L8-F42 HydrophobicContact CD2-CD2 3.63Å; L8-F42 HydrophobicContact CD2-CE2 4.38Å; L8-F42 HydrophobicContact CD2-CG 3.76Å; L8-F42 HydrophobicContact CG-CG 4.48Å; M39-F42 PolarHBondContact O-N 3.37Å; N40-F42 VanDerWaalsContact C-N 3.33Å; F42-L44 PolarHBondContact O-N 2.91Å; F42-N47 HydrophobicContact CE1-CB 3.76Å; F42-N47 HydrophobicContact CE2-CB 4.25Å; F42-N47 HydrophobicContact CZ-CB 3.36Å; F42-F73 HydrophobicContact CD1-CD2 4.48Å; F42-F73 AromaticContact CD1-CE2 3.96Å; F42-F73 HydrophobicContact CD1-CE2 3.96Å; F42-W89 AromaticContact CE1-CH2 3.61Å; F42-W89 HydrophobicContact CE1-CH2 3.61Å; F42-W89 HydrophobicContact CE1-CZ2 4.04Å; F42-W89 HydrophobicContact CZ-CH2 4.02Å; F42-W89 HydrophobicContact CZ-CZ2 4.13Å
43	D	90.6	Very high	91.9	Very high	24 Å²	24	39.7 Å²	39.7	13%	0.128	22%	0.219	C	C	.	.			trans	-76.3	90.5	173	-165.2	-38.6	0	0	0	110.1	V45 Q46 N47 R197	D43-V45 VanDerWaalsContact C-N 3.33Å; D43-V45 PolarHBondContact O-N 3.37Å; D43-V45 PolarHBondContact OD1-N 3.22Å; D43-Q46 HydrophobicContact CB-CB 4.13Å; D43-Q46 HydrophobicContact CB-CG 4.39Å; D43-Q46 VanDerWaalsContact CG-CG 3.47Å; D43-Q46 WeakPolarHBondContact OD1-CG 3.03Å; D43-Q46 PolarHBondContact OD1-N 3.33Å; D43-Q46 WeakPolarHBondContact OD2-CG 3.46Å; D43-Q46 PolarHBondContact OD2-NE2 2.9Å; D43-Q46 PolarHBondContact OD2-OE1 3.38Å; D43-N47 PolarHBondContact O-N 3.33Å; D43-N47 PolarHBondContact O-ND2 3.14Å; D43-R197 IonicContact OD2-CZ 2.89Å; D43-R197 IonicContact OD2-NH1 3.84Å; D43-R197 PolarHBondContact OD2-NH1 3.18Å; D43-R197 IonicContact OD2-NH2 2.75Å; D43-R197 PolarHBondContact OD2-NH2 3.34Å
44	L	91.7	Very high	92.3	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-51.9	-51.2	179.9	175.6	60.7	0	0	0	112.1	F42 N47 T48 F73 C76 M77 W84 L86 W89	F42-L44 PolarHBondContact O-N 2.91Å; L44-N47 PolarHBondContact O-N 3.41Å; L44-T48 WeakPolarHBondContact O-CG2 3.47Å; L44-T48 PolarHBondContact O-N 3.48Å; L44-F73 HydrophobicContact CB-CD2 4.22Å; L44-F73 HydrophobicContact CB-CE2 3.95Å; L44-F73 HydrophobicContact CD1-CE2 3.88Å; L44-F73 HydrophobicContact CD1-CZ 4.02Å; L44-F73 HydrophobicContact CD2-CE2 4.3Å; L44-F73 HydrophobicContact CD2-CZ 4.45Å; L44-F73 HydrophobicContact CG-CE2 4.26Å; L44-C76 HydrophobicContact CD2-CB 4.07Å; L44-M77 HydrophobicContact CD1-SD 4.11Å; L44-M77 HydrophobicContact CD2-CG 3.68Å; L44-M77 HydrophobicContact CD2-SD 3.49Å; L44-M77 WeakPolarHBondContact CD2-SD 3.17Å; L44-M77 HydrophobicContact CG-SD 4.45Å; L44-W84 HydrophobicContact CD2-CH2 3.74Å; L44-W84 HydrophobicContact CD2-CZ2 4.15Å; L44-W84 HydrophobicContact CD2-CZ3 4.43Å; L44-W84 HydrophobicContact CG-CH2 4.3Å; L44-L86 HydrophobicContact CD1-CD2 4.31Å; L44-W89 HydrophobicContact CD1-CH2 3.58Å; L44-W89 HydrophobicContact CD1-CZ2 4.41Å; L44-W89 HydrophobicContact CD1-CZ3 4.12Å
45	V	89.1	Confident	92.6	Very high	63 Å²	63	35 Å²	35	38%	0.382	19%	0.194	S	C	.	.	H	α-helix	trans	-67.2	-45	-169.8	-179.4	0	0	0	0	110.6	D43 N47 T48	D43-V45 VanDerWaalsContact C-N 3.33Å; D43-V45 PolarHBondContact O-N 3.37Å; D43-V45 PolarHBondContact OD1-N 3.22Å; V45-N47 PolarHBondContact O-N 2.99Å; V45-T48 PolarHBondContact O-N 3.36Å; V45-T48 PolarHBondContact O-OG1 2.88Å
46	Q	89.8	Confident	92.8	Very high	134 Å²	134	32.3 Å²	32.3	63%	0.626	18%	0.181	S	C	*	.	H	α-helix	trans	-64.4	-25	180	-70.9	-176.7	-5.1	0	0	113.4	D43	D43-Q46 HydrophobicContact CB-CB 4.13Å; D43-Q46 HydrophobicContact CB-CG 4.39Å; D43-Q46 VanDerWaalsContact CG-CG 3.47Å; D43-Q46 WeakPolarHBondContact OD1-CG 3.03Å; D43-Q46 PolarHBondContact OD1-N 3.33Å; D43-Q46 WeakPolarHBondContact OD2-CG 3.46Å; D43-Q46 PolarHBondContact OD2-NE2 2.9Å; D43-Q46 PolarHBondContact OD2-OE1 3.38Å
47	N	92.2	Very high	93	Very high	44 Å²	44	32 Å²	32	24%	0.235	18%	0.179	C	C	.	.	H	α-helix	trans	-98.4	-4.9	-175.3	-75	-82.2	0	0	0	114.3	F42 D43 L44 V45 S49 V50 Q52 W89	F42-N47 HydrophobicContact CE1-CB 3.76Å; F42-N47 HydrophobicContact CE2-CB 4.25Å; F42-N47 HydrophobicContact CZ-CB 3.36Å; D43-N47 PolarHBondContact O-N 3.33Å; D43-N47 PolarHBondContact O-ND2 3.14Å; L44-N47 PolarHBondContact O-N 3.41Å; V45-N47 PolarHBondContact O-N 2.99Å; N47-S49 VanDerWaalsContact C-N 3.31Å; N47-S49 PolarHBondContact O-N 2.93Å; N47-V50 PolarHBondContact O-N 2.9Å; N47-Q52 PolarHBondContact O-NE2 3.48Å; N47-Q52 VanDerWaalsContact O-NE2 3.17Å; N47-W89 HydrophobicContact CB-CZ2 4.08Å; N47-W89 PolarHBondContact O-NE1 3.39Å
48	T	90.6	Very high	93.3	Very high	16 Å²	16	28.4 Å²	28.4	10%	0.098	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-33.9	-178.4	55.4	0	0	0	0	113.8	L44 V45 V50 W84 L86	L44-T48 WeakPolarHBondContact O-CG2 3.47Å; L44-T48 PolarHBondContact O-N 3.48Å; V45-T48 PolarHBondContact O-N 3.36Å; V45-T48 PolarHBondContact O-OG1 2.88Å; T48-V50 VanDerWaalsContact C-N 3.32Å; T48-V50 PolarHBondContact O-N 2.93Å; T48-W84 HydrophobicContact CG2-CB 4.1Å; T48-W84 HydrophobicContact CG2-CD2 3.9Å; T48-W84 HydrophobicContact CG2-CE3 3.71Å; T48-W84 HydrophobicContact CG2-CG 4.08Å; T48-W84 HydrophobicContact CG2-CZ3 4.41Å; T48-L86 HydrophobicContact CG2-CD2 3.74Å
49	S	88.2	Confident	93.5	Very high	74 Å²	74	28.2 Å²	28.2	52%	0.517	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.4	-178.5	57.5	0	0	0	0	114.2	N47 R88	N47-S49 VanDerWaalsContact C-N 3.31Å; N47-S49 PolarHBondContact O-N 2.93Å; S49-R88 WeakPolarHBondContact O-CD 3.38Å; S49-R88 PolarHBondContact O-NH1 3.18Å
50	V	91.2	Very high	93.5	Very high	66 Å²	66	29.7 Å²	29.7	40%	0.4	17%	0.174	S	C	.	.	S	Bend	trans	-90.4	126.8	-176.5	-177.6	0	0	0	0	110	N47 T48 Q52 W89	N47-V50 PolarHBondContact O-N 2.9Å; T48-V50 VanDerWaalsContact C-N 3.32Å; T48-V50 PolarHBondContact O-N 2.93Å; V50-Q52 PolarHBondContact O-N 3.18Å; V50-W89 PolarHBondContact O-NE1 3.41Å
51	A	92.3	Very high	93.4	Very high	56 Å²	56	29 Å²	29	46%	0.463	17%	0.171	S	C	.	.			trans	-71.1	123.5	173	0	0	0	0	0	110.5	R88	A51-R88 WeakPolarHBondContact CA-O 3.34Å; A51-R88 HydrophobicContact CB-CB 4.35Å
52	Q	94.5	Very high	93	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.047	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	161.5	-174.8	62.1	-173.7	-65.8	0	0	111.9	T6 N47 V50 V54 R88 W89 N90	T6-Q52 PolarHBondContact OG1-OE1 2.94Å; N47-Q52 PolarHBondContact O-NE2 3.48Å; N47-Q52 VanDerWaalsContact O-NE2 3.17Å; V50-Q52 PolarHBondContact O-N 3.18Å; Q52-V54 HydrophobicContact CG-CG2 3.68Å; Q52-R88 PolarHBondContact N-O 2.88Å; Q52-W89 HydrophobicContact CG-CD2 4.33Å; Q52-W89 HydrophobicContact CG-CG 4.09Å; Q52-W89 WeakPolarHBondContact O-CA 3.43Å; Q52-N90 PolarHBondContact O-N 3.19Å
53	T	96.8	Very high	92.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.6	165.9	-61.5	0	0	0	0	108.9	S4 L5 T6 N90 I123 M152 Y156	S4-T53 PolarHBondContact O-N 3.07Å; L5-T53 CarbonylContact C-O 3.57Å; L5-T53 WeakPolarHBondContact CA-O 3.29Å; L5-T53 HydrophobicContact CD1-CG2 3.89Å; T6-T53 PolarHBondContact N-O 3.15Å; T53-N90 CarbonylContact C-O 3.38Å; T53-N90 VanDerWaalsContact CA-O 3.27Å; T53-N90 WeakPolarHBondContact CA-O 3.29Å; T53-N90 HydrophobicContact CG2-CB 4.3Å; T53-I123 HydrophobicContact CG2-CD1 3.74Å; T53-M152 HydrophobicContact CG2-CE 4.33Å; T53-M152 HydrophobicContact CG2-SD 3.89Å; T53-Y156 PolarHBondContact OG1-OH 3.23Å
54	V	97.8	Very high	92	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.7	-178.5	-165.7	0	0	0	0	110.8	T6 L8 Q52 F56 W89 N90 V91 A92	T6-V54 HydrophobicContact CG2-CG1 4.43Å; T6-V54 CarbonylContact O-C 3.41Å; T6-V54 VanDerWaalsContact O-CA 3.24Å; T6-V54 WeakPolarHBondContact O-CA 3.3Å; L8-V54 HydrophobicContact CD1-CG1 3.85Å; L8-V54 HydrophobicContact CG-CG1 3.98Å; Q52-V54 HydrophobicContact CG-CG2 3.68Å; V54-F56 HydrophobicContact CB-CD2 4.5Å; V54-F56 HydrophobicContact CB-CE2 3.83Å; V54-F56 HydrophobicContact CB-CZ 4.28Å; V54-F56 HydrophobicContact CG1-CD2 4.05Å; V54-F56 HydrophobicContact CG1-CE1 4.21Å; V54-F56 HydrophobicContact CG1-CE2 3.48Å; V54-F56 VanDerWaalsContact CG1-CE2 3.48Å; V54-F56 HydrophobicContact CG1-CZ 3.58Å; V54-W89 HydrophobicContact CB-CE3 4.35Å; V54-W89 HydrophobicContact CG2-CD2 3.85Å; V54-W89 HydrophobicContact CG2-CE3 3.66Å; V54-W89 HydrophobicContact CG2-CG 4.3Å; V54-W89 HydrophobicContact CG2-CZ3 4.1Å; V54-N90 PolarHBondContact N-O 3.19Å; V54-V91 HydrophobicContact CB-CG1 4.37Å; V54-V91 WeakPolarHBondContact O-CA 3.37Å; V54-A92 PolarHBondContact O-N 3.49Å
55	V	98.5	Very high	91.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.6	172.8	179.3	0	0	0	0	108.7	L5 T6 I7 L8 I23 V57 A92 W144 F148	L5-V55 HydrophobicContact CD1-CG2 3.93Å; T6-V55 PolarHBondContact O-N 2.86Å; I7-V55 WeakPolarHBondContact CA-O 3.25Å; I7-V55 HydrophobicContact CG1-CB 4.33Å; L8-V55 PolarHBondContact N-O 3.43Å; I23-V55 HydrophobicContact CD1-CG1 4.22Å; V55-V57 HydrophobicContact CG1-CG2 4.26Å; V55-A92 CarbonylContact C-O 3.49Å; V55-A92 WeakPolarHBondContact CA-O 3.41Å; V55-A92 HydrophobicContact CG2-CB 4.38Å; V55-W144 HydrophobicContact CG1-CH2 4.18Å; V55-W144 HydrophobicContact CG1-CZ3 4.42Å; V55-F148 HydrophobicContact CG2-CD2 4.36Å; V55-F148 HydrophobicContact CG2-CE1 4.12Å; V55-F148 HydrophobicContact CG2-CE2 3.51Å; V55-F148 HydrophobicContact CG2-CZ 3.36Å
56	F	98.7	Very high	92.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.2	175.7	-64.8	-92.5	0	0	0	110.1	L8 M39 V54 F73 W89 V91 A92 V93 L94 L111 L115	L8-F56 HydrophobicContact CB-CD1 4.08Å; L8-F56 HydrophobicContact CB-CE1 4.27Å; L8-F56 HydrophobicContact CD1-CD1 4.37Å; L8-F56 HydrophobicContact CD1-CE1 3.72Å; L8-F56 HydrophobicContact CD1-CZ 4.21Å; L8-F56 CarbonylContact O-C 3.45Å; L8-F56 WeakPolarHBondContact O-CA 3.35Å; M39-F56 HydrophobicContact CE-CB 4.15Å; M39-F56 HydrophobicContact CE-CD1 3.7Å; M39-F56 HydrophobicContact CE-CG 4.43Å; M39-F56 HydrophobicContact SD-CD1 4.35Å; V54-F56 HydrophobicContact CB-CD2 4.5Å; V54-F56 HydrophobicContact CB-CE2 3.83Å; V54-F56 HydrophobicContact CB-CZ 4.28Å; V54-F56 HydrophobicContact CG1-CD2 4.05Å; V54-F56 HydrophobicContact CG1-CE1 4.21Å; V54-F56 HydrophobicContact CG1-CE2 3.48Å; V54-F56 VanDerWaalsContact CG1-CE2 3.48Å; V54-F56 HydrophobicContact CG1-CZ 3.58Å; F56-F73 HydrophobicContact CE1-CE1 4.05Å; F56-F73 AromaticContact CE1-CZ 3.78Å; F56-F73 HydrophobicContact CE1-CZ 3.78Å; F56-F73 HydrophobicContact CZ-CZ 4.35Å; F56-W89 HydrophobicContact CZ-CZ3 4.11Å; F56-V91 HydrophobicContact CE2-CB 4.27Å; F56-V91 HydrophobicContact CE2-CG1 3.99Å; F56-A92 PolarHBondContact N-O 3.44Å; F56-V93 HydrophobicContact CB-CB 4.5Å; F56-V93 HydrophobicContact CB-CG1 4.26Å; F56-V93 HydrophobicContact CB-CG2 4.23Å; F56-V93 HydrophobicContact CD2-CG2 4.21Å; F56-V93 WeakPolarHBondContact O-CA 3.43Å; F56-L94 PolarHBondContact O-N 2.67Å; F56-L111 HydrophobicContact CB-CD2 3.93Å; F56-L111 HydrophobicContact CD1-CD2 3.84Å; F56-L111 HydrophobicContact CG-CD2 4.04Å; F56-L115 HydrophobicContact CD2-CD1 3.86Å; F56-L115 HydrophobicContact CE2-CD1 3.73Å; F56-L115 HydrophobicContact CE2-CD2 3.95Å; F56-L115 HydrophobicContact CG-CD1 4.44Å; F56-L115 HydrophobicContact CZ-CD1 4.21Å; F56-L115 HydrophobicContact CZ-CD2 3.86Å
57	V	98.7	Very high	92.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	111.8	171.6	-168.6	0	0	0	0	108.9	L8 Y9 G10 A16 V19 A20 I23 V55 L94 L96	L8-V57 PolarHBondContact O-N 3.18Å; Y9-V57 CarbonylContact C-O 3.59Å; Y9-V57 WeakPolarHBondContact CA-O 3.47Å; G10-V57 PolarHBondContact N-O 3.23Å; A16-V57 HydrophobicContact CB-CG1 3.89Å; A16-V57 VanDerWaalsContact O-CG1 3.28Å; A16-V57 WeakPolarHBondContact O-CG1 3.4Å; V19-V57 HydrophobicContact CB-CG1 4.02Å; V19-V57 HydrophobicContact CG1-CG1 3.9Å; V19-V57 HydrophobicContact CG1-CG2 4.48Å; A20-V57 HydrophobicContact CB-CB 4.15Å; A20-V57 HydrophobicContact CB-CG2 3.96Å; I23-V57 HydrophobicContact CD1-CG2 4.14Å; V55-V57 HydrophobicContact CG1-CG2 4.26Å; V57-L94 CarbonylContact C-O 3.48Å; V57-L94 WeakPolarHBondContact CA-O 3.3Å; V57-L96 HydrophobicContact CG1-CD1 3.58Å
58	C	98.4	Very high	92.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118.6	-167.5	-172.7	0	0	0	0	112.4	G10 M39 M70 L94 G95 L96 A108 L111	G10-C58 CarbonylContact O-C 3.57Å; G10-C58 WeakPolarHBondContact O-CA 3.35Å; M39-C58 HydrophobicContact CE-CB 4.12Å; C58-M70 PolarHBondContact SG-SD 3.38Å; C58-L94 PolarHBondContact N-O 2.95Å; C58-G95 CarbonylContact O-C 3.52Å; C58-G95 WeakPolarHBondContact O-CA 3.47Å; C58-L96 PolarHBondContact O-N 2.77Å; C58-A108 HydrophobicContact CB-CB 4.31Å; C58-L111 HydrophobicContact CB-CD2 4.32Å
59	S	97.6	Very high	92.1	Very high	8 Å²	8	29 Å²	29	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	153.7	168.3	63.2	0	0	0	0	111.4	G10 S11 E12 P67 L96	G10-S59 PolarHBondContact O-N 3.17Å; G10-S59 PolarHBondContact O-OG 3Å; S11-S59 WeakPolarHBondContact CA-OG 3.48Å; E12-S59 PolarHBondContact N-OG 3.46Å; S59-P67 WeakPolarHBondContact O-CD 3.28Å; S59-P67 WeakPolarHBondContact O-CG 3.1Å; S59-P67 WeakPolarHBondContact OG-CG 3.39Å; S59-L96 VanDerWaalsContact CA-O 3.28Å; S59-L96 WeakPolarHBondContact CA-O 3.43Å
60	T	95	Very high	92.4	Very high	31 Å²	31	25.4 Å²	25.4	19%	0.19	16%	0.156	C	C	.	.			trans	-98.7	139.5	166.2	-59.2	0	0	0	0	110.3	G64 L96 N105 F106 A107	T60-G64 VanDerWaalsContact CG2-CA 3.5Å; T60-L96 PolarHBondContact N-O 3.24Å; T60-L96 VanDerWaalsContact N-O 3.11Å; T60-N105 VanDerWaalsContact OG1-CA 3.32Å; T60-N105 WeakPolarHBondContact OG1-CA 3.39Å; T60-F106 HydrophobicContact CG2-CB 4.28Å; T60-F106 PolarHBondContact OG1-N 3.08Å; T60-A107 HydrophobicContact CG2-CB 4.28Å; T60-A107 WeakPolarHBondContact OG1-CB 3.46Å; T60-A107 PolarHBondContact OG1-N 2.88Å; T60-A107 VanDerWaalsContact OG1-N 3.16Å
61	T	89	Confident	92.4	Very high	20 Å²	20	26.4 Å²	26.4	12%	0.123	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-110.4	153.9	178.8	58.7	0	0	0	0	111.6	E12 Q63 G64 E65 V66 P67	E12-T61 HydrophobicContact CB-CG2 3.24Å; E12-T61 HydrophobicContact CG-CG2 3.42Å; E12-T61 VanDerWaalsContact CG-CG2 3.42Å; T61-Q63 PolarHBondContact O-N 3.22Å; T61-G64 CarbonylContact O-C 3.46Å; T61-G64 PolarHBondContact O-N 2.67Å; T61-E65 PolarHBondContact N-O 3.36Å; T61-E65 PolarHBondContact O-N 2.96Å; T61-E65 VanDerWaalsContact OG1-C 3.31Å; T61-E65 WeakPolarHBondContact OG1-CB 3.5Å; T61-E65 PolarHBondContact OG1-O 3.4Å; T61-E65 VanDerWaalsContact OG1-O 3.09Å; T61-V66 PolarHBondContact OG1-O 3.32Å; T61-P67 HydrophobicContact CG2-CB 4.2Å; T61-P67 HydrophobicContact CG2-CG 4.03Å
62	G	80.5	Confident	92.3	Very high	50 Å²	50	27.2 Å²	27.2	52%	0.515	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	-120.1	170.6	0	0	0	0	0	114	G64 E65	G62-G64 VanDerWaalsContact C-N 3.33Å; G62-E65 VanDerWaalsContact CA-OE2 3.31Å; G62-E65 WeakPolarHBondContact CA-OE2 3.4Å
63	Q	75.2	Confident	92.4	Very high	83 Å²	83	27 Å²	27	39%	0.388	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	35.2	179.5	-62.8	-58.8	-27.3	0	0	111.9	T61 E65 R103	T61-Q63 PolarHBondContact O-N 3.22Å; Q63-E65 PolarHBondContact N-OE2 2.87Å; Q63-R103 WeakPolarHBondContact O-CD 3.28Å; Q63-R103 WeakPolarHBondContact O-CG 3.3Å; Q63-R103 PolarHBondContact O-NE 3.25Å; Q63-R103 PolarHBondContact O-NH1 3.39Å
64	G	86.1	Confident	92.3	Very high	6 Å²	6	28.5 Å²	28.5	6%	0.062	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	14.1	180	0	0	0	0	0	114.4	T60 T61 G62 F106	T60-G64 VanDerWaalsContact CG2-CA 3.5Å; T61-G64 CarbonylContact O-C 3.46Å; T61-G64 PolarHBondContact O-N 2.67Å; G62-G64 VanDerWaalsContact C-N 3.33Å; G64-F106 WeakPolarHBondContact O-CD1 3.5Å
65	E	88.4	Confident	92	Very high	91 Å²	91	36.1 Å²	36.1	43%	0.425	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-68.7	160.3	172.1	-59	86.4	-177.1	0	0	111.5	T61 G62 Q63	T61-E65 PolarHBondContact N-O 3.36Å; T61-E65 PolarHBondContact O-N 2.96Å; T61-E65 VanDerWaalsContact OG1-C 3.31Å; T61-E65 WeakPolarHBondContact OG1-CB 3.5Å; T61-E65 PolarHBondContact OG1-O 3.4Å; T61-E65 VanDerWaalsContact OG1-O 3.09Å; G62-E65 VanDerWaalsContact CA-OE2 3.31Å; G62-E65 WeakPolarHBondContact CA-OE2 3.4Å; Q63-E65 PolarHBondContact N-OE2 2.87Å
66	V	95	Very high	91.8	Very high	14 Å²	14	37 Å²	37	9%	0.085	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-79.6	149.9	168.5	-61.4	0	0	0	0	109.7	T61 M70 K71 W74 A107	T61-V66 PolarHBondContact OG1-O 3.32Å; V66-M70 HydrophobicContact CB-CG 4.25Å; V66-M70 HydrophobicContact CB-SD 3.94Å; V66-M70 HydrophobicContact CG1-CE 4.14Å; V66-M70 HydrophobicContact CG1-SD 3.99Å; V66-K71 HydrophobicContact CG2-CG 3.79Å; V66-W74 HydrophobicContact CG1-CD2 4.33Å; V66-W74 HydrophobicContact CG1-CG 4.04Å; V66-W74 HydrophobicContact CG2-CB 4.34Å; V66-W74 HydrophobicContact CG2-CG 4.31Å; V66-A107 HydrophobicContact CG1-CB 4.02Å
67	P	93.7	Very high	91.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-56.5	150.8	173.8	-26.5	37.3	0	0	0	112.7	E12 S59 T61 N69 M70 K71	E12-P67 HydrophobicContact CB-CB 4.28Å; E12-P67 WeakPolarHBondContact OE2-CA 3.45Å; S59-P67 WeakPolarHBondContact O-CD 3.28Å; S59-P67 WeakPolarHBondContact O-CG 3.1Å; S59-P67 WeakPolarHBondContact OG-CG 3.39Å; T61-P67 HydrophobicContact CG2-CB 4.2Å; T61-P67 HydrophobicContact CG2-CG 4.03Å; P67-N69 VanDerWaalsContact C-N 3.26Å; P67-N69 WeakPolarHBondContact CB-OD1 3.39Å; P67-N69 PolarHBondContact O-N 2.98Å; P67-M70 WeakPolarHBondContact O-CB 3.34Å; P67-M70 PolarHBondContact O-N 3.15Å; P67-K71 PolarHBondContact O-N 2.89Å
68	D	88.7	Confident	91.3	Very high	60 Å²	60	41.1 Å²	41.1	32%	0.321	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-58.5	-37.9	-177.5	-100.2	-2.8	0	0	0	112.4	E12 N40 M70 K71 K432	E12-D68 PolarHBondContact OE2-N 3.35Å; N40-D68 PolarHBondContact ND2-O 2.77Å; D68-M70 PolarHBondContact O-N 3.49Å; D68-M70 VanDerWaalsContact O-N 3.14Å; D68-K71 PolarHBondContact O-N 2.79Å; D68-K71 VanDerWaalsContact OD1-CD 3.31Å; D68-K71 WeakPolarHBondContact OD1-CD 3.36Å; D68-K71 WeakPolarHBondContact OD1-CE 3.5Å; D68-K71 IonicContact OD1-NZ 3.73Å; D68-K71 PolarHBondContact OD1-NZ 2.89Å; D68-K432 IonicContact OD1-NZ 2.68Å; D68-K432 PolarHBondContact OD1-NZ 3.1Å; D68-K432 IonicContact OD2-NZ 3.19Å; D68-K432 PolarHBondContact OD2-NZ 3.34Å
69	N	90.7	Very high	91.1	Very high	39 Å²	39	48.4 Å²	48.4	21%	0.209	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-75.9	10	176.6	64.9	3.1	0	0	0	115	G10 S11 C38 N40 P67	G10-N69 WeakPolarHBondContact CA-OD1 3.38Å; S11-N69 PolarHBondContact N-ND2 3.38Å; S11-N69 PolarHBondContact N-OD1 2.92Å; S11-N69 PolarHBondContact O-ND2 3.23Å; S11-N69 PolarHBondContact O-OD1 3.43Å; C38-N69 HydrophobicContact CB-CB 4.38Å; N40-N69 WeakPolarHBondContact CB-O 3.47Å; N40-N69 PolarHBondContact N-O 3.33Å; N40-N69 VanDerWaalsContact ND2-C 3.27Å; N40-N69 WeakPolarHBondContact ND2-CA 3.44Å; N40-N69 PolarHBondContact ND2-O 2.86Å; N40-N69 PolarHBondContact OD1-O 2.83Å; P67-N69 VanDerWaalsContact C-N 3.26Å; P67-N69 WeakPolarHBondContact CB-OD1 3.39Å; P67-N69 PolarHBondContact O-N 2.98Å
70	M	94	Very high	90.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-118.9	-14	172.4	173.1	-179.6	-180	0	0	113.3	M39 N40 C58 V66 P67 D68 T72 F73 W74 L111	M39-M70 HydrophobicContact CB-CB 4.2Å; M39-M70 HydrophobicContact CB-CG 4.29Å; M39-M70 HydrophobicContact CE-SD 4.39Å; M39-M70 HydrophobicContact SD-CB 4.04Å; M39-M70 HydrophobicContact SD-CE 3.91Å; M39-M70 HydrophobicContact SD-CG 3.49Å; M39-M70 WeakPolarHBondContact SD-CG 3.41Å; M39-M70 HydrophobicContact SD-SD 3.54Å; N40-M70 WeakPolarHBondContact OD1-CA 3.26Å; N40-M70 PolarHBondContact OD1-O 2.95Å; C58-M70 PolarHBondContact SG-SD 3.38Å; V66-M70 HydrophobicContact CB-CG 4.25Å; V66-M70 HydrophobicContact CB-SD 3.94Å; V66-M70 HydrophobicContact CG1-CE 4.14Å; V66-M70 HydrophobicContact CG1-SD 3.99Å; P67-M70 WeakPolarHBondContact O-CB 3.34Å; P67-M70 PolarHBondContact O-N 3.15Å; D68-M70 PolarHBondContact O-N 3.49Å; D68-M70 VanDerWaalsContact O-N 3.14Å; M70-T72 PolarHBondContact O-N 2.86Å; M70-F73 WeakPolarHBondContact O-CB 3.27Å; M70-F73 PolarHBondContact O-N 3.03Å; M70-W74 HydrophobicContact CE-CB 4.27Å; M70-W74 HydrophobicContact CE-CD2 4.15Å; M70-W74 HydrophobicContact CE-CE3 3.77Å; M70-W74 HydrophobicContact CE-CG 4.39Å; M70-W74 HydrophobicContact CG-CB 4.25Å; M70-W74 WeakPolarHBondContact O-CB 3.29Å; M70-W74 PolarHBondContact O-N 3.49Å; M70-L111 HydrophobicContact CE-CB 4.08Å; M70-L111 HydrophobicContact CE-CD1 3.87Å; M70-L111 HydrophobicContact CE-CD2 3.87Å; M70-L111 HydrophobicContact CE-CG 4.15Å
71	K	91.4	Very high	90.2	Very high	87 Å²	87	62.1 Å²	62.1	38%	0.378	32%	0.319	S	S	.	.	H	α-helix	trans	-57	-41.8	-170.1	-75.8	-178.7	174.4	172.7	0	114.8	N40 V66 P67 D68 W74 K75	N40-K71 PolarHBondContact OD1-N 3.48Å; V66-K71 HydrophobicContact CG2-CG 3.79Å; P67-K71 PolarHBondContact O-N 2.89Å; D68-K71 PolarHBondContact O-N 2.79Å; D68-K71 VanDerWaalsContact OD1-CD 3.31Å; D68-K71 WeakPolarHBondContact OD1-CD 3.36Å; D68-K71 WeakPolarHBondContact OD1-CE 3.5Å; D68-K71 IonicContact OD1-NZ 3.73Å; D68-K71 PolarHBondContact OD1-NZ 2.89Å; K71-W74 PolarHBondContact O-N 3.23Å; K71-K75 WeakPolarHBondContact O-CB 3.07Å; K71-K75 PolarHBondContact O-N 2.8Å
72	T	90.5	Very high	90.2	Very high	73 Å²	73	63 Å²	63	45%	0.448	32%	0.324	S	S	.	.	H	α-helix	trans	-67.9	-45.7	-179.9	-58.4	0	0	0	0	110.9	N40 M70 W74 K75 C76	N40-T72 WeakPolarHBondContact OD1-CB 3.34Å; N40-T72 PolarHBondContact OD1-N 2.76Å; M70-T72 PolarHBondContact O-N 2.86Å; T72-W74 VanDerWaalsContact C-N 3.33Å; T72-W74 PolarHBondContact O-N 3.45Å; T72-K75 PolarHBondContact O-N 3.13Å; T72-C76 PolarHBondContact O-N 2.87Å; T72-C76 VanDerWaalsContact O-N 3.1Å
73	F	94.7	Very high	90.6	Very high	5 Å²	5	67.6 Å²	67.6	2%	0.022	34%	0.342	C	S	.	.	H	α-helix	trans	-58.4	-46.9	174.7	-178.2	-88.1	0	0	0	111.1	L8 M39 N40 F42 L44 F56 M70 C76 M77 L111	L8-F73 HydrophobicContact CD1-CE2 4.22Å; L8-F73 HydrophobicContact CD1-CZ 4.46Å; M39-F73 HydrophobicContact CB-CB 3.87Å; M39-F73 HydrophobicContact CB-CD1 4.29Å; M39-F73 HydrophobicContact CB-CD2 4.37Å; M39-F73 HydrophobicContact CB-CG 3.93Å; M39-F73 WeakPolarHBondContact O-CB 3.42Å; M39-F73 WeakPolarHBondContact O-CD2 3.46Å; M39-F73 HydrophobicContact SD-CD1 4.28Å; N40-F73 PolarHBondContact OD1-N 2.88Å; F42-F73 HydrophobicContact CD1-CD2 4.48Å; F42-F73 AromaticContact CD1-CE2 3.96Å; F42-F73 HydrophobicContact CD1-CE2 3.96Å; L44-F73 HydrophobicContact CB-CD2 4.22Å; L44-F73 HydrophobicContact CB-CE2 3.95Å; L44-F73 HydrophobicContact CD1-CE2 3.88Å; L44-F73 HydrophobicContact CD1-CZ 4.02Å; L44-F73 HydrophobicContact CD2-CE2 4.3Å; L44-F73 HydrophobicContact CD2-CZ 4.45Å; L44-F73 HydrophobicContact CG-CE2 4.26Å; F56-F73 HydrophobicContact CE1-CE1 4.05Å; F56-F73 AromaticContact CE1-CZ 3.78Å; F56-F73 HydrophobicContact CE1-CZ 3.78Å; F56-F73 HydrophobicContact CZ-CZ 4.35Å; M70-F73 WeakPolarHBondContact O-CB 3.27Å; M70-F73 PolarHBondContact O-N 3.03Å; F73-C76 WeakPolarHBondContact O-CB 3.38Å; F73-C76 PolarHBondContact O-N 3.02Å; F73-M77 HydrophobicContact CD1-CG 4Å; F73-M77 HydrophobicContact CE1-CG 3.64Å; F73-M77 HydrophobicContact CE1-SD 4.25Å; F73-M77 HydrophobicContact CZ-CG 4.18Å; F73-M77 HydrophobicContact CZ-SD 4.31Å; F73-M77 WeakPolarHBondContact O-CG 3.46Å; F73-M77 PolarHBondContact O-N 2.97Å; F73-L111 HydrophobicContact CE1-CD1 4.29Å
74	W	95.5	Very high	91.4	Very high	31 Å²	31	65.4 Å²	65.4	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-43.2	-180	-172.2	-123.9	0	0	0	112.8	V66 M70 K71 T72 C76 M77 L78 K110 L111 R114	V66-W74 HydrophobicContact CG1-CD2 4.33Å; V66-W74 HydrophobicContact CG1-CG 4.04Å; V66-W74 HydrophobicContact CG2-CB 4.34Å; V66-W74 HydrophobicContact CG2-CG 4.31Å; M70-W74 HydrophobicContact CE-CB 4.27Å; M70-W74 HydrophobicContact CE-CD2 4.15Å; M70-W74 HydrophobicContact CE-CE3 3.77Å; M70-W74 HydrophobicContact CE-CG 4.39Å; M70-W74 HydrophobicContact CG-CB 4.25Å; M70-W74 WeakPolarHBondContact O-CB 3.29Å; M70-W74 PolarHBondContact O-N 3.49Å; K71-W74 PolarHBondContact O-N 3.23Å; T72-W74 VanDerWaalsContact C-N 3.33Å; T72-W74 PolarHBondContact O-N 3.45Å; W74-C76 VanDerWaalsContact C-N 3.25Å; W74-C76 PolarHBondContact O-N 3.42Å; W74-M77 HydrophobicContact CE3-CB 4.14Å; W74-M77 HydrophobicContact CZ3-CB 4.37Å; W74-M77 WeakPolarHBondContact O-CB 3.45Å; W74-M77 PolarHBondContact O-N 2.93Å; W74-L78 HydrophobicContact CD2-CD1 4.29Å; W74-L78 HydrophobicContact CD2-CG 4.19Å; W74-L78 HydrophobicContact CG-CD1 4.36Å; W74-L78 HydrophobicContact CH2-CD2 4.01Å; W74-L78 HydrophobicContact CZ2-CD1 4.1Å; W74-L78 HydrophobicContact CZ2-CD2 3.68Å; W74-L78 HydrophobicContact CZ2-CG 4.03Å; W74-L78 VanDerWaalsContact NE1-CD1 3.35Å; W74-L78 WeakPolarHBondContact O-CG 3.14Å; W74-L78 PolarHBondContact O-N 2.88Å; W74-K110 HydrophobicContact CH2-CB 3.93Å; W74-K110 WeakPolarHBondContact CH2-O 3.23Å; W74-K110 HydrophobicContact CZ2-CB 3.87Å; W74-K110 HydrophobicContact CZ2-CD 4.45Å; W74-L111 HydrophobicContact CE3-CD1 4.33Å; W74-L111 HydrophobicContact CZ3-CB 4.34Å; W74-L111 HydrophobicContact CZ3-CD1 4.08Å; W74-R114 HydrophobicContact CH2-CB 3.78Å; W74-R114 HydrophobicContact CH2-CG 4.21Å; W74-R114 HydrophobicContact CZ3-CB 3.89Å; W74-R114 HydrophobicContact CZ3-CG 4.13Å
75	K	92.7	Very high	91.7	Very high	160 Å²	160	66.8 Å²	66.8	70%	0.696	34%	0.339	S	S	*	.	H	α-helix	trans	-59.6	-37	174.2	-173.4	176.3	-178	176	0	111.8	K71 T72	K71-K75 WeakPolarHBondContact O-CB 3.07Å; K71-K75 PolarHBondContact O-N 2.8Å; T72-K75 PolarHBondContact O-N 3.13Å
76	C	93.1	Very high	92.1	Very high	20 Å²	20	62.4 Å²	62.4	14%	0.135	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-46.9	175	-164	0	0	0	0	111.7	L44 T72 F73 W74 L78 R79	L44-C76 HydrophobicContact CD2-CB 4.07Å; T72-C76 PolarHBondContact O-N 2.87Å; T72-C76 VanDerWaalsContact O-N 3.1Å; F73-C76 WeakPolarHBondContact O-CB 3.38Å; F73-C76 PolarHBondContact O-N 3.02Å; W74-C76 VanDerWaalsContact C-N 3.25Å; W74-C76 PolarHBondContact O-N 3.42Å; C76-L78 VanDerWaalsContact C-N 3.26Å; C76-L78 PolarHBondContact O-N 3.06Å; C76-R79 WeakPolarHBondContact O-CB 3.34Å; C76-R79 WeakPolarHBondContact O-CG 3.27Å; C76-R79 PolarHBondContact O-N 2.99Å
77	M	93.7	Very high	92.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.8	-34.7	177	-72.9	-73.4	-79.4	0	0	113.1	L44 F73 W74 R79 W84 L86 L111 R114 L115 L118	L44-M77 HydrophobicContact CD1-SD 4.11Å; L44-M77 HydrophobicContact CD2-CG 3.68Å; L44-M77 HydrophobicContact CD2-SD 3.49Å; L44-M77 WeakPolarHBondContact CD2-SD 3.17Å; L44-M77 HydrophobicContact CG-SD 4.45Å; F73-M77 HydrophobicContact CD1-CG 4Å; F73-M77 HydrophobicContact CE1-CG 3.64Å; F73-M77 HydrophobicContact CE1-SD 4.25Å; F73-M77 HydrophobicContact CZ-CG 4.18Å; F73-M77 HydrophobicContact CZ-SD 4.31Å; F73-M77 WeakPolarHBondContact O-CG 3.46Å; F73-M77 PolarHBondContact O-N 2.97Å; W74-M77 HydrophobicContact CE3-CB 4.14Å; W74-M77 HydrophobicContact CZ3-CB 4.37Å; W74-M77 WeakPolarHBondContact O-CB 3.45Å; W74-M77 PolarHBondContact O-N 2.93Å; M77-R79 VanDerWaalsContact C-N 3.34Å; M77-R79 PolarHBondContact O-N 2.73Å; M77-W84 HydrophobicContact SD-CH2 4.3Å; M77-L86 HydrophobicContact CE-CD1 4.16Å; M77-L86 HydrophobicContact SD-CD1 4.33Å; M77-L111 HydrophobicContact CE-CD1 4.41Å; M77-R114 HydrophobicContact CB-CG 4.38Å; M77-R114 HydrophobicContact CE-CG 4.16Å; M77-R114 VanDerWaalsContact O-CZ 3.25Å; M77-R114 PolarHBondContact O-NE 2.89Å; M77-R114 PolarHBondContact O-NH2 3.5Å; M77-L115 HydrophobicContact CE-CD2 3.57Å; M77-L115 HydrophobicContact CE-CG 4Å; M77-L118 HydrophobicContact CE-CD1 3.53Å; M77-L118 HydrophobicContact SD-CD1 3.68Å
78	L	93.9	Very high	92.1	Very high	86 Å²	86	72.5 Å²	72.5	45%	0.45	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.4	-177.4	-70.9	-178	0	0	0	114.9	W74 C76 R80	W74-L78 HydrophobicContact CD2-CD1 4.29Å; W74-L78 HydrophobicContact CD2-CG 4.19Å; W74-L78 HydrophobicContact CG-CD1 4.36Å; W74-L78 HydrophobicContact CH2-CD2 4.01Å; W74-L78 HydrophobicContact CZ2-CD1 4.1Å; W74-L78 HydrophobicContact CZ2-CD2 3.68Å; W74-L78 HydrophobicContact CZ2-CG 4.03Å; W74-L78 VanDerWaalsContact NE1-CD1 3.35Å; W74-L78 WeakPolarHBondContact O-CG 3.14Å; W74-L78 PolarHBondContact O-N 2.88Å; C76-L78 VanDerWaalsContact C-N 3.26Å; C76-L78 PolarHBondContact O-N 3.06Å; L78-R80 PolarHBondContact O-N 3.18Å
79	R	93.2	Very high	92.5	Very high	153 Å²	153	69.6 Å²	69.6	58%	0.577	35%	0.346	S	S	*	.			trans	-57.7	136.1	177.4	-70.5	179.2	179.3	-178.9	-0.1	110.4	C76 M77 V82 R114	C76-R79 WeakPolarHBondContact O-CB 3.34Å; C76-R79 WeakPolarHBondContact O-CG 3.27Å; C76-R79 PolarHBondContact O-N 2.99Å; M77-R79 VanDerWaalsContact C-N 3.34Å; M77-R79 PolarHBondContact O-N 2.73Å; R79-V82 HydrophobicContact CB-CG1 3.72Å; R79-R114 PolarHBondContact O-NH2 3.47Å; R79-R114 VanDerWaalsContact O-NH2 3.13Å
80	R	88	Confident	92.8	Very high	248 Å²	248	69.4 Å²	69.4	94%	0.936	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	145	174.9	-64.3	-176.6	-179.7	-176.7	0.2	109.5	L78 V82	L78-R80 PolarHBondContact O-N 3.18Å; R80-V82 PolarHBondContact O-N 3.43Å
81	G	86	Confident	93	Very high	79 Å²	79	69.5 Å²	69.5	81%	0.814	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	36.1	175.4	0	0	0	0	0	114.4
82	V	88.6	Confident	93.4	Very high	38 Å²	38	65.4 Å²	65.4	23%	0.23	33%	0.328	C	S	.	.			trans	-62	141.3	175.3	-67	0	0	0	0	110.7	R79 R80 W84 L118	R79-V82 HydrophobicContact CB-CG1 3.72Å; R80-V82 PolarHBondContact O-N 3.43Å; V82-W84 VanDerWaalsContact C-N 3.32Å; V82-W84 HydrophobicContact CB-CD2 4.05Å; V82-W84 HydrophobicContact CB-CG 4.45Å; V82-W84 HydrophobicContact CB-CH2 4.47Å; V82-W84 HydrophobicContact CB-CZ2 3.95Å; V82-W84 HydrophobicContact CG1-CH2 4.2Å; V82-W84 HydrophobicContact CG1-CZ2 3.58Å; V82-W84 HydrophobicContact CG2-CD2 4.3Å; V82-W84 HydrophobicContact CG2-CE3 4.33Å; V82-W84 HydrophobicContact CG2-CH2 4.4Å; V82-W84 HydrophobicContact CG2-CZ2 4.36Å; V82-W84 HydrophobicContact CG2-CZ3 4.39Å; V82-L118 HydrophobicContact CG2-CD2 3.72Å
83	T	89.1	Confident	93.8	Very high	146 Å²	146	62 Å²	62	90%	0.896	31%	0.307	S	S	*	.	S	Bend	trans	-88.3	-0	-178.5	53.6	0	0	0	0	113.6
84	W	92.2	Very high	94	Very high	38 Å²	38	61.8 Å²	61.8	14%	0.144	31%	0.306	C	S	.	.			trans	-117.3	158.5	-177.9	46.6	-100.3	0	0	0	110.7	L44 T48 M77 V82 L86 L118	L44-W84 HydrophobicContact CD2-CH2 3.74Å; L44-W84 HydrophobicContact CD2-CZ2 4.15Å; L44-W84 HydrophobicContact CD2-CZ3 4.43Å; L44-W84 HydrophobicContact CG-CH2 4.3Å; T48-W84 HydrophobicContact CG2-CB 4.1Å; T48-W84 HydrophobicContact CG2-CD2 3.9Å; T48-W84 HydrophobicContact CG2-CE3 3.71Å; T48-W84 HydrophobicContact CG2-CG 4.08Å; T48-W84 HydrophobicContact CG2-CZ3 4.41Å; M77-W84 HydrophobicContact SD-CH2 4.3Å; V82-W84 VanDerWaalsContact C-N 3.32Å; V82-W84 HydrophobicContact CB-CD2 4.05Å; V82-W84 HydrophobicContact CB-CG 4.45Å; V82-W84 HydrophobicContact CB-CH2 4.47Å; V82-W84 HydrophobicContact CB-CZ2 3.95Å; V82-W84 HydrophobicContact CG1-CH2 4.2Å; V82-W84 HydrophobicContact CG1-CZ2 3.58Å; V82-W84 HydrophobicContact CG2-CD2 4.3Å; V82-W84 HydrophobicContact CG2-CE3 4.33Å; V82-W84 HydrophobicContact CG2-CH2 4.4Å; V82-W84 HydrophobicContact CG2-CZ2 4.36Å; V82-W84 HydrophobicContact CG2-CZ3 4.39Å; W84-L86 HydrophobicContact CE3-CD2 4.36Å; W84-L86 HydrophobicContact CZ3-CD2 4.29Å; W84-L86 HydrophobicContact CZ3-CG 4.39Å; W84-L118 HydrophobicContact CH2-CD1 4.26Å; W84-L118 HydrophobicContact CZ3-CD1 3.97Å; W84-L118 HydrophobicContact CZ3-CD2 4.2Å
85	S	93.2	Very high	94.1	Very high	34 Å²	34	60.3 Å²	60.3	24%	0.238	30%	0.3	C	S	.	.			trans	-132.1	159.3	-178.1	170.5	0	0	0	0	109.1	D87 N119	S85-D87 WeakPolarHBondContact CB-OD1 3.33Å; S85-D87 PolarHBondContact OG-N 3.06Å; S85-D87 PolarHBondContact OG-OD1 3.18Å; S85-N119 PolarHBondContact OG-ND2 3.08Å
86	L	95.4	Very high	94.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.27	C	S	.	.			trans	-108.4	19.5	179.1	-56.9	-179.5	0	0	0	112.2	L44 T48 M77 W84 R88 W89 L115 L118 A120	L44-L86 HydrophobicContact CD1-CD2 4.31Å; T48-L86 HydrophobicContact CG2-CD2 3.74Å; M77-L86 HydrophobicContact CE-CD1 4.16Å; M77-L86 HydrophobicContact SD-CD1 4.33Å; W84-L86 HydrophobicContact CE3-CD2 4.36Å; W84-L86 HydrophobicContact CZ3-CD2 4.29Å; W84-L86 HydrophobicContact CZ3-CG 4.39Å; L86-R88 PolarHBondContact O-N 2.87Å; L86-W89 HydrophobicContact CB-CB 4.49Å; L86-W89 HydrophobicContact CB-CG 4.48Å; L86-W89 HydrophobicContact CD1-CE3 4.27Å; L86-W89 HydrophobicContact CD1-CZ3 4.39Å; L86-W89 HydrophobicContact CD2-CD2 3.95Å; L86-W89 HydrophobicContact CD2-CE3 3.95Å; L86-W89 HydrophobicContact CD2-CH2 4.1Å; L86-W89 HydrophobicContact CD2-CZ2 4.11Å; L86-W89 HydrophobicContact CD2-CZ3 4.02Å; L86-W89 HydrophobicContact CG-CE3 4.5Å; L86-W89 WeakPolarHBondContact O-CB 3.2Å; L86-W89 PolarHBondContact O-N 3.21Å; L86-L115 HydrophobicContact CD1-CD2 3.72Å; L86-L118 WeakPolarHBondContact CB-O 3.43Å; L86-L118 HydrophobicContact CD1-CB 3.92Å; L86-L118 HydrophobicContact CD1-CD1 4.18Å; L86-L118 HydrophobicContact CG-CB 4.06Å; L86-L118 PolarHBondContact N-O 3.35Å; L86-A120 HydrophobicContact CB-CB 3.94Å; L86-A120 WeakPolarHBondContact O-CA 3.48Å
87	D	95.3	Very high	94.4	Very high	82 Å²	82	52.8 Å²	52.8	44%	0.439	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.7	-179	57.2	-63.3	0	0	0	114.6	S85 N119 N121	S85-D87 WeakPolarHBondContact CB-OD1 3.33Å; S85-D87 PolarHBondContact OG-N 3.06Å; S85-D87 PolarHBondContact OG-OD1 3.18Å; D87-N119 VanDerWaalsContact CA-O 3.26Å; D87-N119 WeakPolarHBondContact CA-O 3.34Å; D87-N119 HydrophobicContact CB-CB 4.22Å; D87-N121 PolarHBondContact O-ND2 3.32Å
88	R	94.7	Very high	94.3	Very high	143 Å²	143	54.3 Å²	54.3	54%	0.54	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.3	175.6	-61.2	-175.4	176.1	-165.8	-5.2	113.7	S49 A51 Q52 L86	S49-R88 WeakPolarHBondContact O-CD 3.38Å; S49-R88 PolarHBondContact O-NH1 3.18Å; A51-R88 WeakPolarHBondContact CA-O 3.34Å; A51-R88 HydrophobicContact CB-CB 4.35Å; Q52-R88 PolarHBondContact N-O 2.88Å; L86-R88 PolarHBondContact O-N 2.87Å
89	W	97	Very high	94.3	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.6	-179	-69.3	15.8	0	0	0	110.6	F42 L44 N47 V50 Q52 V54 F56 L86 V91 N121	F42-W89 AromaticContact CE1-CH2 3.61Å; F42-W89 HydrophobicContact CE1-CH2 3.61Å; F42-W89 HydrophobicContact CE1-CZ2 4.04Å; F42-W89 HydrophobicContact CZ-CH2 4.02Å; F42-W89 HydrophobicContact CZ-CZ2 4.13Å; L44-W89 HydrophobicContact CD1-CH2 3.58Å; L44-W89 HydrophobicContact CD1-CZ2 4.41Å; L44-W89 HydrophobicContact CD1-CZ3 4.12Å; N47-W89 HydrophobicContact CB-CZ2 4.08Å; N47-W89 PolarHBondContact O-NE1 3.39Å; V50-W89 PolarHBondContact O-NE1 3.41Å; Q52-W89 HydrophobicContact CG-CD2 4.33Å; Q52-W89 HydrophobicContact CG-CG 4.09Å; Q52-W89 WeakPolarHBondContact O-CA 3.43Å; V54-W89 HydrophobicContact CB-CE3 4.35Å; V54-W89 HydrophobicContact CG2-CD2 3.85Å; V54-W89 HydrophobicContact CG2-CE3 3.66Å; V54-W89 HydrophobicContact CG2-CG 4.3Å; V54-W89 HydrophobicContact CG2-CZ3 4.1Å; F56-W89 HydrophobicContact CZ-CZ3 4.11Å; L86-W89 HydrophobicContact CB-CB 4.49Å; L86-W89 HydrophobicContact CB-CG 4.48Å; L86-W89 HydrophobicContact CD1-CE3 4.27Å; L86-W89 HydrophobicContact CD1-CZ3 4.39Å; L86-W89 HydrophobicContact CD2-CD2 3.95Å; L86-W89 HydrophobicContact CD2-CE3 3.95Å; L86-W89 HydrophobicContact CD2-CH2 4.1Å; L86-W89 HydrophobicContact CD2-CZ2 4.11Å; L86-W89 HydrophobicContact CD2-CZ3 4.02Å; L86-W89 HydrophobicContact CG-CE3 4.5Å; L86-W89 WeakPolarHBondContact O-CB 3.2Å; L86-W89 PolarHBondContact O-N 3.21Å; W89-V91 HydrophobicContact CB-CG1 3.93Å; W89-V91 HydrophobicContact CE3-CG1 4.35Å; W89-N121 WeakPolarHBondContact O-CB 3.43Å; W89-N121 PolarHBondContact O-N 2.89Å
90	N	97.5	Very high	93.9	Very high	35 Å²	35	49.7 Å²	49.7	19%	0.187	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.5	163	-68.8	-32.8	0	0	0	107.8	Q52 T53 V54 N121 I123 M155	Q52-N90 PolarHBondContact O-N 3.19Å; T53-N90 CarbonylContact C-O 3.38Å; T53-N90 VanDerWaalsContact CA-O 3.27Å; T53-N90 WeakPolarHBondContact CA-O 3.29Å; T53-N90 HydrophobicContact CG2-CB 4.3Å; V54-N90 PolarHBondContact N-O 3.19Å; N90-N121 CarbonylContact C-O 3.55Å; N90-N121 WeakPolarHBondContact CA-O 3.31Å; N90-I123 HydrophobicContact CB-CD1 4.42Å; N90-I123 HydrophobicContact CB-CG2 3.69Å; N90-M155 HydrophobicContact CB-CE 4.29Å; N90-M155 VanDerWaalsContact ND2-CE 3.33Å; N90-M155 WeakPolarHBondContact ND2-CE 3.39Å
91	V	98.2	Very high	93.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.5	-172.3	-58.6	0	0	0	0	112.9	V54 F56 W89 F116 A120 N121 I123	V54-V91 HydrophobicContact CB-CG1 4.37Å; V54-V91 WeakPolarHBondContact O-CA 3.37Å; F56-V91 HydrophobicContact CE2-CB 4.27Å; F56-V91 HydrophobicContact CE2-CG1 3.99Å; W89-V91 HydrophobicContact CB-CG1 3.93Å; W89-V91 HydrophobicContact CE3-CG1 4.35Å; V91-F116 HydrophobicContact CG2-CZ 4.22Å; V91-A120 HydrophobicContact CB-CB 4.42Å; V91-A120 HydrophobicContact CG1-CB 3.84Å; V91-A120 HydrophobicContact CG2-CB 3.66Å; V91-N121 PolarHBondContact N-O 3.47Å; V91-I123 WeakPolarHBondContact O-CG1 3.49Å; V91-I123 PolarHBondContact O-N 2.97Å
92	A	98.5	Very high	93.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.9	169.8	0	0	0	0	0	108.4	V54 V55 F56 I123 M124 W144 F148	V54-A92 PolarHBondContact O-N 3.49Å; V55-A92 CarbonylContact C-O 3.49Å; V55-A92 WeakPolarHBondContact CA-O 3.41Å; V55-A92 HydrophobicContact CG2-CB 4.38Å; F56-A92 PolarHBondContact N-O 3.44Å; A92-I123 HydrophobicContact CB-CD1 4.34Å; A92-I123 HydrophobicContact CB-CG1 4.09Å; A92-M124 HydrophobicContact CB-CB 3.84Å; A92-M124 HydrophobicContact CB-CG 3.92Å; A92-W144 HydrophobicContact CB-CH2 3.69Å; A92-W144 HydrophobicContact CB-CZ2 3.82Å; A92-F148 HydrophobicContact CB-CD2 4.18Å; A92-F148 HydrophobicContact CB-CE2 4.27Å
93	V	98.7	Very high	93.2	Very high	2 Å²	2	51 Å²	51	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.8	-178	-174	0	0	0	0	109.3	F56 A108 H112 L115 L126 G127	F56-V93 HydrophobicContact CB-CB 4.5Å; F56-V93 HydrophobicContact CB-CG1 4.26Å; F56-V93 HydrophobicContact CB-CG2 4.23Å; F56-V93 HydrophobicContact CD2-CG2 4.21Å; F56-V93 WeakPolarHBondContact O-CA 3.43Å; V93-A108 HydrophobicContact CG1-CB 4.43Å; V93-H112 HydrophobicContact CB-CB 4.46Å; V93-H112 HydrophobicContact CG1-CB 4.4Å; V93-H112 HydrophobicContact CG2-CB 4.32Å; V93-L115 HydrophobicContact CG2-CD1 3.68Å; V93-L126 HydrophobicContact CB-CD1 3.77Å; V93-L126 HydrophobicContact CG1-CD1 3.62Å; V93-G127 PolarHBondContact O-N 3.2Å
94	L	98.8	Very high	93.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.7	174.9	179.5	59.7	0	0	0	108.8	V19 F56 V57 C58 L96 V141 W144	V19-L94 HydrophobicContact CG1-CD2 3.72Å; F56-L94 PolarHBondContact O-N 2.67Å; V57-L94 CarbonylContact C-O 3.48Å; V57-L94 WeakPolarHBondContact CA-O 3.3Å; C58-L94 PolarHBondContact N-O 2.95Å; L94-L96 HydrophobicContact CG-CD1 4.36Å; L94-V141 HydrophobicContact CD1-CG2 4.37Å; L94-V141 HydrophobicContact CD2-CG1 4.22Å; L94-V141 HydrophobicContact CD2-CG2 4.08Å; L94-W144 HydrophobicContact CB-CD2 4.38Å; L94-W144 HydrophobicContact CB-CE3 4.23Å; L94-W144 HydrophobicContact CB-CH2 3.99Å; L94-W144 HydrophobicContact CB-CZ2 4.13Å; L94-W144 HydrophobicContact CB-CZ3 4.05Å; L94-W144 HydrophobicContact CD1-CD2 4.05Å; L94-W144 HydrophobicContact CD1-CE3 4.33Å; L94-W144 HydrophobicContact CD1-CG 4.14Å; L94-W144 HydrophobicContact CD2-CD2 4.4Å; L94-W144 HydrophobicContact CD2-CE3 3.83Å; L94-W144 HydrophobicContact CD2-CZ3 4.07Å; L94-W144 HydrophobicContact CG-CE3 4.37Å
95	G	98.4	Very high	93.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	140.4	174	0	0	0	0	0	111.7	C58 N105 A108 G127 A129	C58-G95 CarbonylContact O-C 3.52Å; C58-G95 WeakPolarHBondContact O-CA 3.47Å; G95-N105 WeakPolarHBondContact CA-OD1 3.28Å; G95-N105 PolarHBondContact O-OD1 3.22Å; G95-A108 VanDerWaalsContact CA-CB 3.41Å; G95-G127 PolarHBondContact N-O 3.4Å; G95-A129 VanDerWaalsContact O-CB 3.27Å; G95-A129 WeakPolarHBondContact O-CB 3.35Å; G95-A129 PolarHBondContact O-N 3.47Å
96	L	97.6	Very high	93.8	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.052	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.3	164.9	-77.8	75.5	0	0	0	108.7	N15 A16 V19 V57 C58 S59 T60 L94 N105 A129 Y137	N15-L96 HydrophobicContact CB-CD2 3.71Å; A16-L96 HydrophobicContact CB-CD1 4.29Å; A16-L96 HydrophobicContact CB-CD2 4.31Å; V19-L96 HydrophobicContact CG2-CD2 4.14Å; V57-L96 HydrophobicContact CG1-CD1 3.58Å; C58-L96 PolarHBondContact O-N 2.77Å; S59-L96 VanDerWaalsContact CA-O 3.28Å; S59-L96 WeakPolarHBondContact CA-O 3.43Å; T60-L96 PolarHBondContact N-O 3.24Å; T60-L96 VanDerWaalsContact N-O 3.11Å; L94-L96 HydrophobicContact CG-CD1 4.36Å; L96-N105 VanDerWaalsContact C-OD1 3.23Å; L96-N105 PolarHBondContact N-OD1 3.03Å; L96-N105 VanDerWaalsContact N-OD1 3.11Å; L96-A129 HydrophobicContact CG-CB 4.47Å; L96-Y137 HydrophobicContact CD2-CD1 4.41Å; L96-Y137 HydrophobicContact CD2-CD2 4.33Å; L96-Y137 HydrophobicContact CD2-CG 4.23Å
97	G	95.1	Very high	93.9	Very high	13 Å²	13	45.8 Å²	45.8	13%	0.134	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	-176.6	179.6	0	0	0	0	0	112	N105 A129 D130 D131	G97-N105 PolarHBondContact N-ND2 3.27Å; G97-N105 PolarHBondContact N-OD1 3.27Å; G97-A129 PolarHBondContact N-O 3.33Å; G97-D130 WeakPolarHBondContact O-CA 3.23Å; G97-D131 PolarHBondContact O-N 3.33Å
98	D	91.8	Very high	94	Very high	32 Å²	32	41.9 Å²	41.9	17%	0.171	20%	0.202	C	C	.	.			trans	-135.5	118.8	178.2	175.5	-33.4	0	0	0	107	S100 Y101 F104 D130 D131 Q132	D98-S100 VanDerWaalsContact CG-OG 3.31Å; D98-S100 PolarHBondContact O-N 3.01Å; D98-S100 WeakPolarHBondContact OD1-CA 3.45Å; D98-S100 WeakPolarHBondContact OD1-CB 3.39Å; D98-S100 PolarHBondContact OD1-N 3.48Å; D98-S100 PolarHBondContact OD1-OG 2.92Å; D98-Y101 HydrophobicContact CB-CD2 3.78Å; D98-Y101 HydrophobicContact CB-CE2 4.12Å; D98-Y101 PolarHBondContact O-N 2.72Å; D98-Y101 VanDerWaalsContact O-N 3.15Å; D98-F104 VanDerWaalsContact C-CD2 3.41Å; D98-F104 WeakPolarHBondContact O-CD2 3.26Å; D98-D130 WeakPolarHBondContact CA-OD1 3.49Å; D98-D131 HydrophobicContact CB-CB 4.29Å; D98-Q132 WeakPolarHBondContact OD1-CG 3.47Å; D98-Q132 PolarHBondContact OD1-NE2 3.33Å; D98-Q132 PolarHBondContact OD2-NE2 3.44Å
99	S	92.3	Very high	94.2	Very high	59 Å²	59	40.4 Å²	40.4	41%	0.413	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-9.5	-174.7	59.6	0	0	0	0	114.5	Y101 D130	S99-Y101 PolarHBondContact O-N 3Å; S99-D130 WeakPolarHBondContact CB-OD2 3.47Å; S99-D130 PolarHBondContact N-OD1 2.7Å; S99-D130 VanDerWaalsContact OG-CG 3.3Å; S99-D130 PolarHBondContact OG-OD1 2.92Å; S99-D130 PolarHBondContact OG-OD2 2.84Å
100	S	85.9	Confident	94.2	Very high	83 Å²	83	44.8 Å²	44.8	58%	0.58	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.1	168.9	75	0	0	0	0	112.5	D98	D98-S100 VanDerWaalsContact CG-OG 3.31Å; D98-S100 PolarHBondContact O-N 3.01Å; D98-S100 WeakPolarHBondContact OD1-CA 3.45Å; D98-S100 WeakPolarHBondContact OD1-CB 3.39Å; D98-S100 PolarHBondContact OD1-N 3.48Å; D98-S100 PolarHBondContact OD1-OG 2.92Å
101	Y	80.8	Confident	94.2	Very high	113 Å²	113	43.1 Å²	43.1	44%	0.443	21%	0.207	S	C	.	.	S	Bend	trans	-91	135.6	174.3	-69.4	-100.3	0	0	0	111.6	D98 S99 R103 F104	D98-Y101 HydrophobicContact CB-CD2 3.78Å; D98-Y101 HydrophobicContact CB-CE2 4.12Å; D98-Y101 PolarHBondContact O-N 2.72Å; D98-Y101 VanDerWaalsContact O-N 3.15Å; S99-Y101 PolarHBondContact O-N 3Å; Y101-R103 PolarHBondContact O-N 2.94Å; Y101-F104 PolarHBondContact O-N 3.24Å
102	Q	78.6	Confident	94.2	Very high	183 Å²	183	44.6 Å²	44.6	86%	0.855	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-37.5	179.1	-170.8	-176.1	17.2	0	0	113	F104	Q102-F104 VanDerWaalsContact C-N 3.33Å; Q102-F104 PolarHBondContact O-N 2.68Å
103	R	87.5	Confident	94.2	Very high	95 Å²	95	47.2 Å²	47.2	36%	0.358	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	52.6	178.8	-58.4	-138.7	-168.1	135.9	-10.5	111.6	Q63 Y101 N105 F106	Q63-R103 WeakPolarHBondContact O-CD 3.28Å; Q63-R103 WeakPolarHBondContact O-CG 3.3Å; Q63-R103 PolarHBondContact O-NE 3.25Å; Q63-R103 PolarHBondContact O-NH1 3.39Å; Y101-R103 PolarHBondContact O-N 2.94Å; R103-N105 PolarHBondContact O-N 2.96Å; R103-F106 HydrophobicContact CB-CB 3.81Å; R103-F106 HydrophobicContact CB-CD1 4.36Å; R103-F106 HydrophobicContact CB-CG 4.13Å; R103-F106 VanDerWaalsContact O-CB 3.24Å; R103-F106 WeakPolarHBondContact O-CB 3.49Å; R103-F106 PolarHBondContact O-N 2.81Å
104	F	93.1	Very high	94.1	Very high	48 Å²	48	49.7 Å²	49.7	21%	0.211	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	123.5	179.9	176	-120.2	0	0	0	113.1	D98 Y101 Q102 F106 R109 L128 D130	D98-F104 VanDerWaalsContact C-CD2 3.41Å; D98-F104 WeakPolarHBondContact O-CD2 3.26Å; Y101-F104 PolarHBondContact O-N 3.24Å; Q102-F104 VanDerWaalsContact C-N 3.33Å; Q102-F104 PolarHBondContact O-N 2.68Å; F104-F106 PolarHBondContact O-N 2.94Å; F104-R109 PolarHBondContact O-NE 3.19Å; F104-L128 HydrophobicContact CE1-CB 4.3Å; F104-D130 HydrophobicContact CE2-CB 3.92Å; F104-D130 HydrophobicContact CZ-CB 3.79Å
105	N	97.4	Very high	94	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	23.4	-179.8	-89.9	-67.4	0	0	0	114.7	T60 G95 L96 G97 R103 A107 A108 R109 L128 A129	T60-N105 VanDerWaalsContact OG1-CA 3.32Å; T60-N105 WeakPolarHBondContact OG1-CA 3.39Å; G95-N105 WeakPolarHBondContact CA-OD1 3.28Å; G95-N105 PolarHBondContact O-OD1 3.22Å; L96-N105 VanDerWaalsContact C-OD1 3.23Å; L96-N105 PolarHBondContact N-OD1 3.03Å; L96-N105 VanDerWaalsContact N-OD1 3.11Å; G97-N105 PolarHBondContact N-ND2 3.27Å; G97-N105 PolarHBondContact N-OD1 3.27Å; R103-N105 PolarHBondContact O-N 2.96Å; N105-A107 VanDerWaalsContact C-N 3.32Å; N105-A107 PolarHBondContact O-N 3.25Å; N105-A108 PolarHBondContact O-N 3.07Å; N105-R109 WeakPolarHBondContact O-CG 3.46Å; N105-R109 PolarHBondContact O-N 3.04Å; N105-L128 HydrophobicContact CB-CD2 3.52Å; N105-A129 PolarHBondContact ND2-O 3.31Å
106	F	96.5	Very high	93.9	Very high	61 Å²	61	52.6 Å²	52.6	27%	0.268	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-34.8	-169.2	-168.3	-121	0	0	0	113.7	T60 G64 R103 F104 R109 K110	T60-F106 HydrophobicContact CG2-CB 4.28Å; T60-F106 PolarHBondContact OG1-N 3.08Å; G64-F106 WeakPolarHBondContact O-CD1 3.5Å; R103-F106 HydrophobicContact CB-CB 3.81Å; R103-F106 HydrophobicContact CB-CD1 4.36Å; R103-F106 HydrophobicContact CB-CG 4.13Å; R103-F106 VanDerWaalsContact O-CB 3.24Å; R103-F106 WeakPolarHBondContact O-CB 3.49Å; R103-F106 PolarHBondContact O-N 2.81Å; F104-F106 PolarHBondContact O-N 2.94Å; F106-R109 PolarHBondContact O-N 3.38Å; F106-K110 HydrophobicContact CD1-CD 4.09Å; F106-K110 HydrophobicContact CE1-CD 3.91Å; F106-K110 HydrophobicContact CZ-CD 4.27Å; F106-K110 WeakPolarHBondContact O-CB 3.48Å; F106-K110 WeakPolarHBondContact O-CG 3.49Å; F106-K110 PolarHBondContact O-N 2.88Å
107	A	97.4	Very high	93.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-48.1	175.5	0	0	0	0	0	111.4	T60 V66 N105 K110 L111	T60-A107 HydrophobicContact CG2-CB 4.28Å; T60-A107 WeakPolarHBondContact OG1-CB 3.46Å; T60-A107 PolarHBondContact OG1-N 2.88Å; T60-A107 VanDerWaalsContact OG1-N 3.16Å; V66-A107 HydrophobicContact CG1-CB 4.02Å; N105-A107 VanDerWaalsContact C-N 3.32Å; N105-A107 PolarHBondContact O-N 3.25Å; A107-K110 PolarHBondContact O-N 2.93Å; A107-L111 WeakPolarHBondContact O-CB 3.37Å; A107-L111 PolarHBondContact O-N 3.44Å
108	A	98.2	Very high	93.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-40.5	178.3	0	0	0	0	0	112	C58 V93 G95 N105 L111 H112	C58-A108 HydrophobicContact CB-CB 4.31Å; V93-A108 HydrophobicContact CG1-CB 4.43Å; G95-A108 VanDerWaalsContact CA-CB 3.41Å; N105-A108 PolarHBondContact O-N 3.07Å; A108-L111 PolarHBondContact O-N 3.39Å; A108-H112 VanDerWaalsContact O-CB 3.24Å; A108-H112 WeakPolarHBondContact O-CB 3.47Å; A108-H112 PolarHBondContact O-N 3.12Å
109	R	98.1	Very high	94	Very high	113 Å²	113	61.3 Å²	61.3	43%	0.426	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-45.9	174.9	-70.9	175.3	178.5	-85.3	6.1	112.2	F104 N105 F106 S113 L126 L128	F104-R109 PolarHBondContact O-NE 3.19Å; N105-R109 WeakPolarHBondContact O-CG 3.46Å; N105-R109 PolarHBondContact O-N 3.04Å; F106-R109 PolarHBondContact O-N 3.38Å; R109-S113 WeakPolarHBondContact O-CB 3.38Å; R109-S113 PolarHBondContact O-N 3Å; R109-L126 HydrophobicContact CG-CD2 4.02Å; R109-L128 HydrophobicContact CG-CD2 4.12Å
110	K	97.8	Very high	94.3	Very high	92 Å²	92	58.8 Å²	58.8	40%	0.4	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-45.4	175.7	-81.3	-178.9	165.3	175.7	0	111.7	W74 F106 A107 S113 R114	W74-K110 HydrophobicContact CH2-CB 3.93Å; W74-K110 WeakPolarHBondContact CH2-O 3.23Å; W74-K110 HydrophobicContact CZ2-CB 3.87Å; W74-K110 HydrophobicContact CZ2-CD 4.45Å; F106-K110 HydrophobicContact CD1-CD 4.09Å; F106-K110 HydrophobicContact CE1-CD 3.91Å; F106-K110 HydrophobicContact CZ-CD 4.27Å; F106-K110 WeakPolarHBondContact O-CB 3.48Å; F106-K110 WeakPolarHBondContact O-CG 3.49Å; F106-K110 PolarHBondContact O-N 2.88Å; A107-K110 PolarHBondContact O-N 2.93Å; K110-S113 PolarHBondContact O-N 2.82Å; K110-R114 WeakPolarHBondContact O-CB 3.25Å; K110-R114 PolarHBondContact O-N 2.78Å
111	L	98.2	Very high	94.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-52.6	176.6	176.3	59.8	0	0	0	111.3	M39 F56 C58 M70 F73 W74 M77 A107 A108 S113 R114 L115	M39-L111 HydrophobicContact CE-CD2 3.93Å; M39-L111 HydrophobicContact SD-CD2 4.4Å; F56-L111 HydrophobicContact CB-CD2 3.93Å; F56-L111 HydrophobicContact CD1-CD2 3.84Å; F56-L111 HydrophobicContact CG-CD2 4.04Å; C58-L111 HydrophobicContact CB-CD2 4.32Å; M70-L111 HydrophobicContact CE-CB 4.08Å; M70-L111 HydrophobicContact CE-CD1 3.87Å; M70-L111 HydrophobicContact CE-CD2 3.87Å; M70-L111 HydrophobicContact CE-CG 4.15Å; F73-L111 HydrophobicContact CE1-CD1 4.29Å; W74-L111 HydrophobicContact CE3-CD1 4.33Å; W74-L111 HydrophobicContact CZ3-CB 4.34Å; W74-L111 HydrophobicContact CZ3-CD1 4.08Å; M77-L111 HydrophobicContact CE-CD1 4.41Å; A107-L111 WeakPolarHBondContact O-CB 3.37Å; A107-L111 PolarHBondContact O-N 3.44Å; A108-L111 PolarHBondContact O-N 3.39Å; L111-S113 PolarHBondContact O-N 3.44Å; L111-R114 PolarHBondContact O-N 2.86Å; L111-R114 VanDerWaalsContact O-N 3.16Å; L111-L115 HydrophobicContact CD1-CD1 4.11Å; L111-L115 HydrophobicContact CD1-CG 4.2Å; L111-L115 HydrophobicContact CG-CD1 4Å; L111-L115 WeakPolarHBondContact O-CG 3.19Å; L111-L115 PolarHBondContact O-N 2.95Å
112	H	98.2	Very high	95.6	Very high	31 Å²	31	57.2 Å²	57.2	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-53.5	-55.6	177	-179.3	-86.9	0	0	0	111	V93 A108 R114 L115 F116 Q122 L126	V93-H112 HydrophobicContact CB-CB 4.46Å; V93-H112 HydrophobicContact CG1-CB 4.4Å; V93-H112 HydrophobicContact CG2-CB 4.32Å; A108-H112 VanDerWaalsContact O-CB 3.24Å; A108-H112 WeakPolarHBondContact O-CB 3.47Å; A108-H112 PolarHBondContact O-N 3.12Å; H112-R114 VanDerWaalsContact C-N 3.28Å; H112-R114 PolarHBondContact O-N 3.25Å; H112-L115 PolarHBondContact O-N 2.73Å; H112-L115 VanDerWaalsContact O-N 3.17Å; H112-F116 AromaticContact CD2-CE2 3.61Å; H112-F116 AromaticContact CE1-CD2 3.72Å; H112-F116 AromaticContact CE1-CE2 3.22Å; H112-F116 WeakPolarHBondContact CE1-CE2 3.36Å; H112-F116 AromaticContact CG-CE2 3.77Å; H112-F116 AromaticContact ND1-CD2 3.77Å; H112-F116 AromaticContact ND1-CE2 3.54Å; H112-F116 AromaticContact NE2-CE2 3.28Å; H112-F116 VanDerWaalsContact NE2-CE2 3.28Å; H112-F116 WeakPolarHBondContact NE2-CE2 3.46Å; H112-F116 AromaticContact NE2-CZ 3.97Å; H112-F116 WeakPolarHBondContact O-CD2 3.45Å; H112-F116 WeakPolarHBondContact O-CE2 3.4Å; H112-F116 PolarHBondContact O-N 3Å; H112-Q122 PolarHBondContact NE2-NE2 3.44Å; H112-L126 HydrophobicContact CB-CD1 4.04Å; H112-L126 HydrophobicContact CB-CD2 4.06Å
113	S	97.6	Very high	96.5	Very high	56 Å²	56	49.3 Å²	49.3	39%	0.392	23%	0.228	S	C	.	.	H	α-helix	trans	-56.1	-42	177.8	179.6	0	0	0	0	112.4	R109 K110 L111 F116 H117	R109-S113 WeakPolarHBondContact O-CB 3.38Å; R109-S113 PolarHBondContact O-N 3Å; K110-S113 PolarHBondContact O-N 2.82Å; L111-S113 PolarHBondContact O-N 3.44Å; S113-F116 PolarHBondContact O-N 2.97Å; S113-H117 PolarHBondContact O-N 3.12Å; S113-H117 PolarHBondContact O-ND1 2.92Å; S113-H117 PolarHBondContact OG-CE1 2.91Å; S113-H117 VanDerWaalsContact OG-CE1 3.25Å
114	R	97.1	Very high	97	Very high	55 Å²	55	45.6 Å²	45.6	21%	0.208	22%	0.215	C	C	.	.	H	α-helix	trans	-69.5	-34.3	-179.8	-174.6	56	176.3	168.8	1.7	113.1	W74 M77 R79 K110 L111 H112 F116 H117 L118	W74-R114 HydrophobicContact CH2-CB 3.78Å; W74-R114 HydrophobicContact CH2-CG 4.21Å; W74-R114 HydrophobicContact CZ3-CB 3.89Å; W74-R114 HydrophobicContact CZ3-CG 4.13Å; M77-R114 HydrophobicContact CB-CG 4.38Å; M77-R114 HydrophobicContact CE-CG 4.16Å; M77-R114 VanDerWaalsContact O-CZ 3.25Å; M77-R114 PolarHBondContact O-NE 2.89Å; M77-R114 PolarHBondContact O-NH2 3.5Å; R79-R114 PolarHBondContact O-NH2 3.47Å; R79-R114 VanDerWaalsContact O-NH2 3.13Å; K110-R114 WeakPolarHBondContact O-CB 3.25Å; K110-R114 PolarHBondContact O-N 2.78Å; L111-R114 PolarHBondContact O-N 2.86Å; L111-R114 VanDerWaalsContact O-N 3.16Å; H112-R114 VanDerWaalsContact C-N 3.28Å; H112-R114 PolarHBondContact O-N 3.25Å; R114-F116 VanDerWaalsContact C-N 3.33Å; R114-F116 PolarHBondContact O-N 2.92Å; R114-H117 PolarHBondContact O-N 2.86Å; R114-L118 HydrophobicContact CG-CD1 4.09Å; R114-L118 WeakPolarHBondContact O-CG 3.35Å; R114-L118 PolarHBondContact O-N 3.19Å
115	L	97.3	Very high	97.2	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-42.2	175.5	-73.3	163.2	0	0	0	111.3	F56 M77 L86 V93 L111 H112 L118 N119 A120	F56-L115 HydrophobicContact CD2-CD1 3.86Å; F56-L115 HydrophobicContact CE2-CD1 3.73Å; F56-L115 HydrophobicContact CE2-CD2 3.95Å; F56-L115 HydrophobicContact CG-CD1 4.44Å; F56-L115 HydrophobicContact CZ-CD1 4.21Å; F56-L115 HydrophobicContact CZ-CD2 3.86Å; M77-L115 HydrophobicContact CE-CD2 3.57Å; M77-L115 HydrophobicContact CE-CG 4Å; L86-L115 HydrophobicContact CD1-CD2 3.72Å; V93-L115 HydrophobicContact CG2-CD1 3.68Å; L111-L115 HydrophobicContact CD1-CD1 4.11Å; L111-L115 HydrophobicContact CD1-CG 4.2Å; L111-L115 HydrophobicContact CG-CD1 4Å; L111-L115 WeakPolarHBondContact O-CG 3.19Å; L111-L115 PolarHBondContact O-N 2.95Å; H112-L115 PolarHBondContact O-N 2.73Å; H112-L115 VanDerWaalsContact O-N 3.17Å; L115-L118 CarbonylContact O-C 3.6Å; L115-L118 WeakPolarHBondContact O-CA 3.35Å; L115-L118 PolarHBondContact O-N 3.33Å; L115-L118 VanDerWaalsContact O-N 3.11Å; L115-N119 PolarHBondContact O-N 3.32Å; L115-A120 HydrophobicContact CB-CB 4.09Å; L115-A120 WeakPolarHBondContact O-CB 3.4Å; L115-A120 PolarHBondContact O-N 3.2Å
116	F	95.1	Very high	97.2	Very high	61 Å²	61	53 Å²	53	27%	0.268	25%	0.251	S	S	.	.	H	α-helix	trans	-69.4	-38.7	176.3	-68	-63.1	0	0	0	113.7	V91 H112 S113 R114 L118 N119 A120 Q122	V91-F116 HydrophobicContact CG2-CZ 4.22Å; H112-F116 AromaticContact CD2-CE2 3.61Å; H112-F116 AromaticContact CE1-CD2 3.72Å; H112-F116 AromaticContact CE1-CE2 3.22Å; H112-F116 WeakPolarHBondContact CE1-CE2 3.36Å; H112-F116 AromaticContact CG-CE2 3.77Å; H112-F116 AromaticContact ND1-CD2 3.77Å; H112-F116 AromaticContact ND1-CE2 3.54Å; H112-F116 AromaticContact NE2-CE2 3.28Å; H112-F116 VanDerWaalsContact NE2-CE2 3.28Å; H112-F116 WeakPolarHBondContact NE2-CE2 3.46Å; H112-F116 AromaticContact NE2-CZ 3.97Å; H112-F116 WeakPolarHBondContact O-CD2 3.45Å; H112-F116 WeakPolarHBondContact O-CE2 3.4Å; H112-F116 PolarHBondContact O-N 3Å; S113-F116 PolarHBondContact O-N 2.97Å; R114-F116 VanDerWaalsContact C-N 3.33Å; R114-F116 PolarHBondContact O-N 2.92Å; F116-L118 PolarHBondContact O-N 3.25Å; F116-L118 VanDerWaalsContact O-N 3.12Å; F116-N119 PolarHBondContact O-N 3.48Å; F116-A120 WeakPolarHBondContact CD1-O 3.25Å; F116-A120 VanDerWaalsContact CE1-O 3.27Å; F116-A120 WeakPolarHBondContact CE1-O 3.3Å; F116-Q122 HydrophobicContact CE1-CB 3.37Å; F116-Q122 HydrophobicContact CE1-CG 4.05Å; F116-Q122 HydrophobicContact CE2-CG 4.43Å; F116-Q122 HydrophobicContact CZ-CB 3.37Å; F116-Q122 HydrophobicContact CZ-CG 3.5Å; F116-Q122 VanDerWaalsContact CZ-CG 3.5Å
117	H	95.5	Very high	97.3	Very high	129 Å²	129	50.2 Å²	50.2	60%	0.597	24%	0.241	S	C	*	.	H	α-helix	trans	-61.3	-18	171.1	-69.2	121	0	0	0	113.2	S113 R114	S113-H117 PolarHBondContact O-N 3.12Å; S113-H117 PolarHBondContact O-ND1 2.92Å; S113-H117 PolarHBondContact OG-CE1 2.91Å; S113-H117 VanDerWaalsContact OG-CE1 3.25Å; R114-H117 PolarHBondContact O-N 2.86Å
118	L	96	Very high	97.4	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	17.6	175.1	-65.1	167.8	0	0	0	112.1	M77 V82 W84 L86 R114 L115 F116 A120	M77-L118 HydrophobicContact CE-CD1 3.53Å; M77-L118 HydrophobicContact SD-CD1 3.68Å; V82-L118 HydrophobicContact CG2-CD2 3.72Å; W84-L118 HydrophobicContact CH2-CD1 4.26Å; W84-L118 HydrophobicContact CZ3-CD1 3.97Å; W84-L118 HydrophobicContact CZ3-CD2 4.2Å; L86-L118 WeakPolarHBondContact CB-O 3.43Å; L86-L118 HydrophobicContact CD1-CB 3.92Å; L86-L118 HydrophobicContact CD1-CD1 4.18Å; L86-L118 HydrophobicContact CG-CB 4.06Å; L86-L118 PolarHBondContact N-O 3.35Å; R114-L118 HydrophobicContact CG-CD1 4.09Å; R114-L118 WeakPolarHBondContact O-CG 3.35Å; R114-L118 PolarHBondContact O-N 3.19Å; L115-L118 CarbonylContact O-C 3.6Å; L115-L118 WeakPolarHBondContact O-CA 3.35Å; L115-L118 PolarHBondContact O-N 3.33Å; L115-L118 VanDerWaalsContact O-N 3.11Å; F116-L118 PolarHBondContact O-N 3.25Å; F116-L118 VanDerWaalsContact O-N 3.12Å; L118-A120 PolarHBondContact O-N 3.19Å
119	N	96.2	Very high	97.3	Very high	100 Å²	100	52.3 Å²	52.3	54%	0.535	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	18.2	175.8	-49.2	-48.6	0	0	0	116.6	S85 D87 L115 F116	S85-N119 PolarHBondContact OG-ND2 3.08Å; D87-N119 VanDerWaalsContact CA-O 3.26Å; D87-N119 WeakPolarHBondContact CA-O 3.34Å; D87-N119 HydrophobicContact CB-CB 4.22Å; L115-N119 PolarHBondContact O-N 3.32Å; F116-N119 PolarHBondContact O-N 3.48Å
120	A	97.4	Very high	97.2	Very high	5 Å²	5	48.5 Å²	48.5	4%	0.041	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-62.4	144.6	174.3	0	0	0	0	0	112.4	L86 V91 L115 F116 L118	L86-A120 HydrophobicContact CB-CB 3.94Å; L86-A120 WeakPolarHBondContact O-CA 3.48Å; V91-A120 HydrophobicContact CB-CB 4.42Å; V91-A120 HydrophobicContact CG1-CB 3.84Å; V91-A120 HydrophobicContact CG2-CB 3.66Å; L115-A120 HydrophobicContact CB-CB 4.09Å; L115-A120 WeakPolarHBondContact O-CB 3.4Å; L115-A120 PolarHBondContact O-N 3.2Å; F116-A120 WeakPolarHBondContact CD1-O 3.25Å; F116-A120 VanDerWaalsContact CE1-O 3.27Å; F116-A120 WeakPolarHBondContact CE1-O 3.3Å; L118-A120 PolarHBondContact O-N 3.19Å
121	N	97.5	Very high	96.9	Very high	72 Å²	72	46.8 Å²	46.8	39%	0.385	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.9	-179.4	-58.1	-49.4	0	0	0	110.8	D87 W89 N90 V91 I123	D87-N121 PolarHBondContact O-ND2 3.32Å; W89-N121 WeakPolarHBondContact O-CB 3.43Å; W89-N121 PolarHBondContact O-N 2.89Å; N90-N121 CarbonylContact C-O 3.55Å; N90-N121 WeakPolarHBondContact CA-O 3.31Å; V91-N121 PolarHBondContact N-O 3.47Å; N121-I123 PolarHBondContact O-N 3.26Å
122	Q	97.5	Very high	96.5	Very high	91 Å²	91	51.6 Å²	51.6	43%	0.425	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	126.7	177.7	-160.2	161.6	-19.8	0	0	110.4	H112 F116 M124	H112-Q122 PolarHBondContact NE2-NE2 3.44Å; F116-Q122 HydrophobicContact CE1-CB 3.37Å; F116-Q122 HydrophobicContact CE1-CG 4.05Å; F116-Q122 HydrophobicContact CE2-CG 4.43Å; F116-Q122 HydrophobicContact CZ-CB 3.37Å; F116-Q122 HydrophobicContact CZ-CG 3.5Å; F116-Q122 VanDerWaalsContact CZ-CG 3.5Å; Q122-M124 WeakPolarHBondContact CG-O 3.36Å; Q122-M124 PolarHBondContact NE2-O 3.38Å
123	I	97.2	Very high	96	Very high	17 Å²	17	53.8 Å²	53.8	9%	0.087	27%	0.267	C	S	.	.			trans	-109.2	-19.6	171.8	59.6	163.6	0	0	0	113.8	T53 N90 V91 A92 N121 F148 K151 M152 M155	T53-I123 HydrophobicContact CG2-CD1 3.74Å; N90-I123 HydrophobicContact CB-CD1 4.42Å; N90-I123 HydrophobicContact CB-CG2 3.69Å; V91-I123 WeakPolarHBondContact O-CG1 3.49Å; V91-I123 PolarHBondContact O-N 2.97Å; A92-I123 HydrophobicContact CB-CD1 4.34Å; A92-I123 HydrophobicContact CB-CG1 4.09Å; N121-I123 PolarHBondContact O-N 3.26Å; I123-F148 HydrophobicContact CD1-CE2 4.03Å; I123-K151 HydrophobicContact CB-CG 4.46Å; I123-K151 VanDerWaalsContact O-CE 3.32Å; I123-K151 WeakPolarHBondContact O-CE 3.15Å; I123-M152 HydrophobicContact CD1-SD 4.43Å; I123-M155 HydrophobicContact CB-SD 4.19Å; I123-M155 HydrophobicContact CD1-SD 4.41Å; I123-M155 HydrophobicContact CG2-CE 3.89Å; I123-M155 HydrophobicContact CG2-SD 3.84Å
124	M	97.7	Very high	95.4	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.089	29%	0.286	C	S	.	.	S	Bend	trans	-135.2	148.1	-178.9	-73.7	-63.1	-68.1	0	0	110.3	A92 Q122 W144 Q147 F148 K151	A92-M124 HydrophobicContact CB-CB 3.84Å; A92-M124 HydrophobicContact CB-CG 3.92Å; Q122-M124 WeakPolarHBondContact CG-O 3.36Å; Q122-M124 PolarHBondContact NE2-O 3.38Å; M124-W144 HydrophobicContact CB-CZ2 3.98Å; M124-W144 HydrophobicContact CE-CD2 4.38Å; M124-W144 HydrophobicContact CE-CG 4.45Å; M124-W144 HydrophobicContact CG-CZ2 4.33Å; M124-Q147 HydrophobicContact CE-CB 3.72Å; M124-F148 HydrophobicContact CE-CB 4.21Å; M124-F148 HydrophobicContact CG-CB 4.41Å; M124-F148 HydrophobicContact CG-CD2 4.02Å; M124-F148 HydrophobicContact SD-CB 4.37Å; M124-K151 HydrophobicContact SD-CB 3.97Å; M124-K151 HydrophobicContact SD-CG 4.29Å
125	E	97.5	Very high	94.9	Very high	162 Å²	162	60.8 Å²	60.8	76%	0.757	30%	0.296	S	S	*	.			trans	-61.9	149.8	166	-66.6	-171.7	173.6	0	0	110.9	G127 W144	E125-G127 PolarHBondContact O-N 2.91Å; E125-G127 VanDerWaalsContact O-N 3.07Å; E125-W144 PolarHBondContact O-NE1 3.08Å
126	L	98.2	Very high	94.5	Very high	40 Å²	40	60.8 Å²	60.8	21%	0.209	30%	0.296	C	S	.	.			trans	-60.7	112.2	177.2	176.4	57.7	0	0	0	109.7	V93 R109 H112 L128	V93-L126 HydrophobicContact CB-CD1 3.77Å; V93-L126 HydrophobicContact CG1-CD1 3.62Å; R109-L126 HydrophobicContact CG-CD2 4.02Å; H112-L126 HydrophobicContact CB-CD1 4.04Å; H112-L126 HydrophobicContact CB-CD2 4.06Å; L126-L128 HydrophobicContact CD1-CD2 4.37Å; L126-L128 HydrophobicContact CD2-CD2 3.81Å; L126-L128 HydrophobicContact CD2-CG 4.36Å; L126-L128 HydrophobicContact CG-CD2 3.79Å; L126-L128 HydrophobicContact CG-CG 4.06Å
127	G	98.3	Very high	94.4	Very high	4 Å²	4	58.9 Å²	58.9	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.4	171.9	0	0	0	0	0	109.9	V93 G95 E125	V93-G127 PolarHBondContact O-N 3.2Å; G95-G127 PolarHBondContact N-O 3.4Å; E125-G127 PolarHBondContact O-N 2.91Å; E125-G127 VanDerWaalsContact O-N 3.07Å
128	L	98.2	Very high	94.3	Very high	43 Å²	43	53.2 Å²	53.2	23%	0.225	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	79.7	-179.9	-64.3	173.7	0	0	0	109.2	F104 N105 R109 L126	F104-L128 HydrophobicContact CE1-CB 4.3Å; N105-L128 HydrophobicContact CB-CD2 3.52Å; R109-L128 HydrophobicContact CG-CD2 4.12Å; L126-L128 HydrophobicContact CD1-CD2 4.37Å; L126-L128 HydrophobicContact CD2-CD2 3.81Å; L126-L128 HydrophobicContact CD2-CG 4.36Å; L126-L128 HydrophobicContact CG-CD2 3.79Å; L126-L128 HydrophobicContact CG-CG 4.06Å
129	A	97.7	Very high	94.2	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142.2	-178	0	0	0	0	0	111.4	G95 L96 G97 N105 I140 V141	G95-A129 VanDerWaalsContact O-CB 3.27Å; G95-A129 WeakPolarHBondContact O-CB 3.35Å; G95-A129 PolarHBondContact O-N 3.47Å; L96-A129 HydrophobicContact CG-CB 4.47Å; G97-A129 PolarHBondContact N-O 3.33Å; N105-A129 PolarHBondContact ND2-O 3.31Å; A129-I140 HydrophobicContact CB-CB 3.94Å; A129-I140 HydrophobicContact CB-CG2 4.2Å; A129-V141 HydrophobicContact CB-CG2 3.82Å
130	D	95.1	Very high	94.2	Very high	34 Å²	34	54.2 Å²	54.2	18%	0.182	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.3	-172.4	-169.7	5	0	0	0	111.4	G97 D98 S99 F104 Q132 H133 G136 Y137	G97-D130 WeakPolarHBondContact O-CA 3.23Å; D98-D130 WeakPolarHBondContact CA-OD1 3.49Å; S99-D130 WeakPolarHBondContact CB-OD2 3.47Å; S99-D130 PolarHBondContact N-OD1 2.7Å; S99-D130 VanDerWaalsContact OG-CG 3.3Å; S99-D130 PolarHBondContact OG-OD1 2.92Å; S99-D130 PolarHBondContact OG-OD2 2.84Å; F104-D130 HydrophobicContact CE2-CB 3.92Å; F104-D130 HydrophobicContact CZ-CB 3.79Å; D130-Q132 PolarHBondContact O-N 3.3Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.4Å; D130-Q132 PolarHBondContact OD1-N 2.98Å; D130-Q132 VanDerWaalsContact OD1-N 3.1Å; D130-H133 PolarHBondContact O-N 3.45Å; D130-G136 CarbonylContact O-C 3.49Å; D130-G136 VanDerWaalsContact O-O 3.12Å; D130-Y137 PolarHBondContact O-N 3.02Å
131	D	91.5	Very high	94.2	Very high	55 Å²	55	54 Å²	54	29%	0.294	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.3	177.7	-151	50.8	0	0	0	113.1	G97 D98 H133 Y137	G97-D131 PolarHBondContact O-N 3.33Å; D98-D131 HydrophobicContact CB-CB 4.29Å; D131-H133 VanDerWaalsContact C-N 3.32Å; D131-H133 PolarHBondContact O-N 3.37Å; D131-Y137 WeakPolarHBondContact OD1-CD1 3.32Å
132	Q	88.9	Confident	94	Very high	101 Å²	101	54.5 Å²	54.5	47%	0.472	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-10.4	179.5	-65.7	-64.9	-47	0	0	114.2	D98 D130	D98-Q132 WeakPolarHBondContact OD1-CG 3.47Å; D98-Q132 PolarHBondContact OD1-NE2 3.33Å; D98-Q132 PolarHBondContact OD2-NE2 3.44Å; D130-Q132 PolarHBondContact O-N 3.3Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.4Å; D130-Q132 PolarHBondContact OD1-N 2.98Å; D130-Q132 VanDerWaalsContact OD1-N 3.1Å
133	H	89.1	Confident	93.9	Very high	78 Å²	78	53 Å²	53	36%	0.361	26%	0.26	S	S	.	.	S	Bend	trans	-69.5	153.5	175.8	-168.5	-90.3	0	0	0	110.8	D130 D131 R135 G136 Q139	D130-H133 PolarHBondContact O-N 3.45Å; D131-H133 VanDerWaalsContact C-N 3.32Å; D131-H133 PolarHBondContact O-N 3.37Å; H133-R135 PolarHBondContact ND1-N 3.11Å; H133-R135 VanDerWaalsContact ND1-N 3.12Å; H133-R135 PolarHBondContact O-N 3.1Å; H133-G136 VanDerWaalsContact O-CA 3.24Å; H133-G136 WeakPolarHBondContact O-CA 3.28Å; H133-G136 PolarHBondContact O-N 3.06Å; H133-Q139 HydrophobicContact CB-CB 4.35Å; H133-Q139 VanDerWaalsContact CE1-CD 3.48Å; H133-Q139 WeakPolarHBondContact CE1-CG 3.47Å; H133-Q139 PolarHBondContact CE1-OE1 2.97Å; H133-Q139 WeakPolarHBondContact ND1-CB 3.48Å
134	D	85.4	Confident	93.9	Very high	148 Å²	148	52.8 Å²	52.8	79%	0.791	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-34.1	179.2	-65.2	-22.6	0	0	0	112.6
135	R	86.6	Confident	93.8	Very high	110 Å²	110	52.1 Å²	52.1	42%	0.415	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	16.1	170.1	-54	-173.8	-175.2	-157.9	-4.4	113.6	H133 D138 Q139 E334 Q336	H133-R135 PolarHBondContact ND1-N 3.11Å; H133-R135 VanDerWaalsContact ND1-N 3.12Å; H133-R135 PolarHBondContact O-N 3.1Å; R135-D138 PolarHBondContact O-N 3.11Å; R135-Q139 HydrophobicContact CB-CB 4.32Å; R135-Q139 PolarHBondContact O-N 2.76Å; R135-E334 IonicContact CZ-OE1 2.7Å; R135-E334 IonicContact NH1-OE1 3.19Å; R135-E334 PolarHBondContact NH1-OE1 3.24Å; R135-Q336 PolarHBondContact O-OE1 3.05Å
136	G	88.9	Confident	93.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-151.9	175.5	0	0	0	0	0	113.2	D130 H133 D138 Q139	D130-G136 CarbonylContact O-C 3.49Å; D130-G136 VanDerWaalsContact O-O 3.12Å; H133-G136 VanDerWaalsContact O-CA 3.24Å; H133-G136 WeakPolarHBondContact O-CA 3.28Å; H133-G136 PolarHBondContact O-N 3.06Å; G136-D138 PolarHBondContact O-N 2.83Å; G136-D138 VanDerWaalsContact O-N 3.11Å; G136-Q139 WeakPolarHBondContact O-CB 3.41Å; G136-Q139 PolarHBondContact O-N 3.26Å
137	Y	92.3	Very high	93.7	Very high	20 Å²	20	52 Å²	52	8%	0.078	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.1	179.8	60.4	-105.6	0	0	0	112.5	N15 V19 L96 D130 D131 Q139 I140 V141	N15-Y137 HydrophobicContact CB-CE1 4.17Å; V19-Y137 HydrophobicContact CG2-CD2 4.29Å; V19-Y137 HydrophobicContact CG2-CE2 3.83Å; L96-Y137 HydrophobicContact CD2-CD1 4.41Å; L96-Y137 HydrophobicContact CD2-CD2 4.33Å; L96-Y137 HydrophobicContact CD2-CG 4.23Å; D130-Y137 PolarHBondContact O-N 3.02Å; D131-Y137 WeakPolarHBondContact OD1-CD1 3.32Å; Y137-Q139 PolarHBondContact O-N 2.75Å; Y137-I140 PolarHBondContact O-N 3.35Å; Y137-I140 VanDerWaalsContact O-N 3.08Å; Y137-V141 HydrophobicContact CD2-CB 4.43Å; Y137-V141 HydrophobicContact CD2-CG2 3.76Å; Y137-V141 WeakPolarHBondContact O-CG2 3.33Å; Y137-V141 PolarHBondContact O-N 3.25Å
138	D	92.4	Very high	93.6	Very high	10 Å²	10	51.8 Å²	51.8	5%	0.053	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-25	-178.8	-72.4	-62.1	0	0	0	114.1	R135 G136 I140 V141 Q142 R308 P333	R135-D138 PolarHBondContact O-N 3.11Å; G136-D138 PolarHBondContact O-N 2.83Å; G136-D138 VanDerWaalsContact O-N 3.11Å; D138-I140 PolarHBondContact O-N 2.86Å; D138-I140 VanDerWaalsContact O-N 3.1Å; D138-V141 PolarHBondContact O-N 3.15Å; D138-Q142 HydrophobicContact CB-CG 4.39Å; D138-Q142 PolarHBondContact O-N 3.07Å; D138-R308 IonicContact OD2-CZ 2.76Å; D138-R308 IonicContact OD2-NE 2.78Å; D138-R308 PolarHBondContact OD2-NE 3.38Å; D138-R308 IonicContact OD2-NH1 3.86Å; D138-R308 PolarHBondContact OD2-NH1 3.45Å; D138-R308 IonicContact OD2-NH2 3.79Å; D138-P333 HydrophobicContact CB-CB 4.21Å; D138-P333 HydrophobicContact CB-CG 4.35Å
139	Q	94	Very high	93.6	Very high	68 Å²	68	49.9 Å²	49.9	32%	0.318	25%	0.25	S	C	.	.	H	α-helix	trans	-52.2	-34	171.1	-179	59.4	41.8	0	0	112.5	H133 R135 G136 Y137 P143	H133-Q139 HydrophobicContact CB-CB 4.35Å; H133-Q139 VanDerWaalsContact CE1-CD 3.48Å; H133-Q139 WeakPolarHBondContact CE1-CG 3.47Å; H133-Q139 PolarHBondContact CE1-OE1 2.97Å; H133-Q139 WeakPolarHBondContact ND1-CB 3.48Å; R135-Q139 HydrophobicContact CB-CB 4.32Å; R135-Q139 PolarHBondContact O-N 2.76Å; G136-Q139 WeakPolarHBondContact O-CB 3.41Å; G136-Q139 PolarHBondContact O-N 3.26Å; Y137-Q139 PolarHBondContact O-N 2.75Å; Q139-P143 WeakPolarHBondContact O-CD 3.01Å; Q139-P143 WeakPolarHBondContact O-CG 3.46Å
140	I	96.8	Very high	93.5	Very high	63 Å²	63	50.2 Å²	50.2	32%	0.323	25%	0.253	S	S	.	.	H	α-helix	trans	-101.3	-42.2	177.3	-59.7	-60	0	0	0	111	A129 Y137 D138 Q142 P143 W144	A129-I140 HydrophobicContact CB-CB 3.94Å; A129-I140 HydrophobicContact CB-CG2 4.2Å; Y137-I140 PolarHBondContact O-N 3.35Å; Y137-I140 VanDerWaalsContact O-N 3.08Å; D138-I140 PolarHBondContact O-N 2.86Å; D138-I140 VanDerWaalsContact O-N 3.1Å; I140-Q142 PolarHBondContact O-N 3.34Å; I140-P143 WeakPolarHBondContact O-CD 3.39Å; I140-W144 WeakPolarHBondContact O-CB 3.38Å; I140-W144 PolarHBondContact O-N 3.23Å
141	V	96.4	Very high	93.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-47.6	-175.4	171.5	0	0	0	0	111.3	V19 M22 L94 A129 Y137 D138 W144 V145	V19-V141 HydrophobicContact CG1-CG1 3.64Å; V19-V141 HydrophobicContact CG1-CG2 4.43Å; V19-V141 HydrophobicContact CG2-CG1 4.08Å; V19-V141 HydrophobicContact CG2-CG2 4.29Å; M22-V141 HydrophobicContact CE-CG1 4.05Å; L94-V141 HydrophobicContact CD1-CG2 4.37Å; L94-V141 HydrophobicContact CD2-CG1 4.22Å; L94-V141 HydrophobicContact CD2-CG2 4.08Å; A129-V141 HydrophobicContact CB-CG2 3.82Å; Y137-V141 HydrophobicContact CD2-CB 4.43Å; Y137-V141 HydrophobicContact CD2-CG2 3.76Å; Y137-V141 WeakPolarHBondContact O-CG2 3.33Å; Y137-V141 PolarHBondContact O-N 3.25Å; D138-V141 PolarHBondContact O-N 3.15Å; V141-W144 PolarHBondContact O-N 3.16Å; V141-V145 HydrophobicContact CG1-CG2 4.13Å; V141-V145 WeakPolarHBondContact O-CB 3.41Å; V141-V145 VanDerWaalsContact O-CG2 3.24Å; V141-V145 WeakPolarHBondContact O-CG2 3.48Å; V141-V145 PolarHBondContact O-N 2.84Å
142	Q	93.8	Very high	93.8	Very high	82 Å²	82	50 Å²	50	38%	0.383	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-54.3	-175.6	-72.8	-168	-23.7	0	0	113	D138 I140 W144 V145 S146 P333	D138-Q142 HydrophobicContact CB-CG 4.39Å; D138-Q142 PolarHBondContact O-N 3.07Å; I140-Q142 PolarHBondContact O-N 3.34Å; Q142-W144 VanDerWaalsContact C-N 3.25Å; Q142-W144 PolarHBondContact O-N 3.03Å; Q142-V145 PolarHBondContact O-N 3.39Å; Q142-S146 PolarHBondContact O-N 2.84Å; Q142-S146 PolarHBondContact O-OG 2.97Å; Q142-P333 HydrophobicContact CG-CG 4.47Å; Q142-P333 VanDerWaalsContact OE1-CG 3.3Å
143	P	95.4	Very high	94.1	Very high	59 Å²	59	45.8 Å²	45.8	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-59.8	-37.5	177.1	-23.8	35	0	0	0	112.5	Q139 I140 S146 Q147	Q139-P143 WeakPolarHBondContact O-CD 3.01Å; Q139-P143 WeakPolarHBondContact O-CG 3.46Å; I140-P143 WeakPolarHBondContact O-CD 3.39Å; P143-S146 PolarHBondContact O-N 2.9Å; P143-Q147 WeakPolarHBondContact O-CB 3.44Å; P143-Q147 VanDerWaalsContact O-CG 3.23Å; P143-Q147 WeakPolarHBondContact O-CG 3.48Å; P143-Q147 PolarHBondContact O-N 3.08Å
144	W	97.7	Very high	94.4	Very high	14 Å²	14	50.2 Å²	50.2	5%	0.053	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-42.3	178.9	-172.4	96.2	0	0	0	111.8	I23 V55 A92 L94 M124 E125 I140 V141 Q142 Q147 F148	I23-W144 HydrophobicContact CD1-CZ3 4.5Å; V55-W144 HydrophobicContact CG1-CH2 4.18Å; V55-W144 HydrophobicContact CG1-CZ3 4.42Å; A92-W144 HydrophobicContact CB-CH2 3.69Å; A92-W144 HydrophobicContact CB-CZ2 3.82Å; L94-W144 HydrophobicContact CB-CD2 4.38Å; L94-W144 HydrophobicContact CB-CE3 4.23Å; L94-W144 HydrophobicContact CB-CH2 3.99Å; L94-W144 HydrophobicContact CB-CZ2 4.13Å; L94-W144 HydrophobicContact CB-CZ3 4.05Å; L94-W144 HydrophobicContact CD1-CD2 4.05Å; L94-W144 HydrophobicContact CD1-CE3 4.33Å; L94-W144 HydrophobicContact CD1-CG 4.14Å; L94-W144 HydrophobicContact CD2-CD2 4.4Å; L94-W144 HydrophobicContact CD2-CE3 3.83Å; L94-W144 HydrophobicContact CD2-CZ3 4.07Å; L94-W144 HydrophobicContact CG-CE3 4.37Å; M124-W144 HydrophobicContact CB-CZ2 3.98Å; M124-W144 HydrophobicContact CE-CD2 4.38Å; M124-W144 HydrophobicContact CE-CG 4.45Å; M124-W144 HydrophobicContact CG-CZ2 4.33Å; E125-W144 PolarHBondContact O-NE1 3.08Å; I140-W144 WeakPolarHBondContact O-CB 3.38Å; I140-W144 PolarHBondContact O-N 3.23Å; V141-W144 PolarHBondContact O-N 3.16Å; Q142-W144 VanDerWaalsContact C-N 3.25Å; Q142-W144 PolarHBondContact O-N 3.03Å; W144-Q147 PolarHBondContact O-N 3.21Å; W144-F148 HydrophobicContact CE3-CB 4.38Å; W144-F148 HydrophobicContact CZ3-CB 4.19Å; W144-F148 HydrophobicContact CZ3-CG 4.44Å; W144-F148 WeakPolarHBondContact O-CB 3.39Å; W144-F148 PolarHBondContact O-N 3.25Å
145	V	96.3	Very high	94.8	Very high	4 Å²	4	46 Å²	46	2%	0.024	23%	0.225	C	C	.	.	H	α-helix	trans	-67.7	-41.1	177.1	170.1	0	0	0	0	111.3	M22 I23 Q26 V141 Q142 Q147 F148 W149	M22-V145 HydrophobicContact CE-CB 4.36Å; M22-V145 HydrophobicContact CE-CG1 4.17Å; M22-V145 HydrophobicContact CE-CG2 3.8Å; I23-V145 HydrophobicContact CD1-CG2 3.85Å; I23-V145 HydrophobicContact CG1-CG1 4.29Å; I23-V145 HydrophobicContact CG1-CG2 3.81Å; Q26-V145 VanDerWaalsContact OE1-CG1 3.23Å; V141-V145 HydrophobicContact CG1-CG2 4.13Å; V141-V145 WeakPolarHBondContact O-CB 3.41Å; V141-V145 VanDerWaalsContact O-CG2 3.24Å; V141-V145 WeakPolarHBondContact O-CG2 3.48Å; V141-V145 PolarHBondContact O-N 2.84Å; Q142-V145 PolarHBondContact O-N 3.39Å; V145-Q147 PolarHBondContact O-N 3.49Å; V145-F148 WeakPolarHBondContact O-CB 3.46Å; V145-F148 PolarHBondContact O-N 2.9Å; V145-W149 PolarHBondContact O-N 3.48Å
146	S	95.7	Very high	95.2	Very high	77 Å²	77	42.8 Å²	42.8	54%	0.538	21%	0.213	S	C	.	.	H	α-helix	trans	-59.9	-44.9	173	-61.6	0	0	0	0	111.8	Q142 P143 F148 W149 G150	Q142-S146 PolarHBondContact O-N 2.84Å; Q142-S146 PolarHBondContact O-OG 2.97Å; P143-S146 PolarHBondContact O-N 2.9Å; S146-F148 VanDerWaalsContact C-N 3.33Å; S146-F148 PolarHBondContact O-N 3.36Å; S146-W149 PolarHBondContact O-N 2.91Å; S146-G150 PolarHBondContact O-N 3.38Å; S146-G150 VanDerWaalsContact O-N 3.12Å
147	Q	96.9	Very high	95.3	Very high	121 Å²	121	47.1 Å²	47.1	57%	0.565	24%	0.242	S	C	*	.	H	α-helix	trans	-64.8	-37.2	176.1	-71.6	173.3	20.6	0	0	112.5	M124 P143 W144 V145 G150 K151	M124-Q147 HydrophobicContact CE-CB 3.72Å; P143-Q147 WeakPolarHBondContact O-CB 3.44Å; P143-Q147 VanDerWaalsContact O-CG 3.23Å; P143-Q147 WeakPolarHBondContact O-CG 3.48Å; P143-Q147 PolarHBondContact O-N 3.08Å; W144-Q147 PolarHBondContact O-N 3.21Å; V145-Q147 PolarHBondContact O-N 3.49Å; Q147-G150 PolarHBondContact O-N 3.12Å; Q147-K151 WeakPolarHBondContact O-CB 3.5Å; Q147-K151 PolarHBondContact O-N 3.5Å
148	F	97.3	Very high	95.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-45.8	174.7	169.2	-100.6	0	0	0	111.3	L5 I23 V55 A92 I123 M124 W144 V145 S146 G150 K151 M152	L5-F148 HydrophobicContact CD1-CZ 4.11Å; I23-F148 HydrophobicContact CG2-CE1 4.41Å; V55-F148 HydrophobicContact CG2-CD2 4.36Å; V55-F148 HydrophobicContact CG2-CE1 4.12Å; V55-F148 HydrophobicContact CG2-CE2 3.51Å; V55-F148 HydrophobicContact CG2-CZ 3.36Å; A92-F148 HydrophobicContact CB-CD2 4.18Å; A92-F148 HydrophobicContact CB-CE2 4.27Å; I123-F148 HydrophobicContact CD1-CE2 4.03Å; M124-F148 HydrophobicContact CE-CB 4.21Å; M124-F148 HydrophobicContact CG-CB 4.41Å; M124-F148 HydrophobicContact CG-CD2 4.02Å; M124-F148 HydrophobicContact SD-CB 4.37Å; W144-F148 HydrophobicContact CE3-CB 4.38Å; W144-F148 HydrophobicContact CZ3-CB 4.19Å; W144-F148 HydrophobicContact CZ3-CG 4.44Å; W144-F148 WeakPolarHBondContact O-CB 3.39Å; W144-F148 PolarHBondContact O-N 3.25Å; V145-F148 WeakPolarHBondContact O-CB 3.46Å; V145-F148 PolarHBondContact O-N 2.9Å; S146-F148 VanDerWaalsContact C-N 3.33Å; S146-F148 PolarHBondContact O-N 3.36Å; F148-G150 PolarHBondContact O-N 2.56Å; F148-K151 WeakPolarHBondContact O-CB 3.45Å; F148-K151 PolarHBondContact O-N 3.28Å; F148-M152 HydrophobicContact CD1-CG 4.28Å; F148-M152 HydrophobicContact CD2-CG 4.2Å; F148-M152 HydrophobicContact CE1-CG 3.78Å; F148-M152 HydrophobicContact CE2-CG 3.68Å; F148-M152 HydrophobicContact CE2-SD 3.97Å; F148-M152 HydrophobicContact CG-CG 4.48Å; F148-M152 HydrophobicContact CZ-CE 4.47Å; F148-M152 HydrophobicContact CZ-CG 3.45Å; F148-M152 VanDerWaalsContact CZ-CG 3.45Å; F148-M152 HydrophobicContact CZ-SD 3.85Å; F148-M152 WeakPolarHBondContact O-CG 3.42Å; F148-M152 PolarHBondContact O-N 3.41Å
149	W	96.8	Very high	95.2	Very high	3 Å²	3	57 Å²	57	1%	0.011	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-40.5	177.3	-73	121.9	0	0	0	112.8	L5 I23 Q26 A27 L32 V145 S146 K151 M152 A153 V160 D162 V164	L5-W149 HydrophobicContact CD2-CH2 4.26Å; I23-W149 HydrophobicContact CG2-CZ2 4.21Å; Q26-W149 HydrophobicContact CB-CZ2 3.66Å; A27-W149 HydrophobicContact CB-CH2 3.71Å; A27-W149 HydrophobicContact CB-CZ2 4.28Å; L32-W149 HydrophobicContact CD1-CH2 4.13Å; L32-W149 HydrophobicContact CD1-CZ3 3.81Å; V145-W149 PolarHBondContact O-N 3.48Å; S146-W149 PolarHBondContact O-N 2.91Å; W149-K151 VanDerWaalsContact C-N 3.32Å; W149-K151 PolarHBondContact O-N 3.25Å; W149-M152 HydrophobicContact CE3-CB 4.31Å; W149-M152 PolarHBondContact O-N 3.28Å; W149-A153 WeakPolarHBondContact O-CB 3.42Å; W149-A153 PolarHBondContact O-N 3.1Å; W149-V160 HydrophobicContact CE3-CG1 3.96Å; W149-V160 HydrophobicContact CZ3-CG1 4.26Å; W149-D162 WeakPolarHBondContact CB-O 3.46Å; W149-V164 HydrophobicContact CB-CG2 3.96Å; W149-V164 HydrophobicContact CD2-CB 4.44Å; W149-V164 HydrophobicContact CD2-CG2 3.56Å; W149-V164 HydrophobicContact CE3-CG2 3.97Å; W149-V164 HydrophobicContact CG-CB 4.25Å; W149-V164 HydrophobicContact CG-CG2 3.54Å
150	G	96.2	Very high	95.1	Very high	7 Å²	7	54 Å²	54	7%	0.072	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-32.3	173	0	0	0	0	0	114.3	S146 Q147 F148 K154 D162	S146-G150 PolarHBondContact O-N 3.38Å; S146-G150 VanDerWaalsContact O-N 3.12Å; Q147-G150 PolarHBondContact O-N 3.12Å; F148-G150 PolarHBondContact O-N 2.56Å; G150-K154 WeakPolarHBondContact O-CG 3.36Å; G150-K154 PolarHBondContact O-N 2.83Å; G150-D162 WeakPolarHBondContact CA-OD1 3.3Å; G150-D162 PolarHBondContact N-OD1 2.99Å
151	K	96.4	Very high	94.8	Very high	84 Å²	84	57.9 Å²	57.9	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-44.6	170.7	-176.4	67.5	176.4	-169.5	0	111.3	I123 M124 Q147 F148 W149 K154 M155	I123-K151 HydrophobicContact CB-CG 4.46Å; I123-K151 VanDerWaalsContact O-CE 3.32Å; I123-K151 WeakPolarHBondContact O-CE 3.15Å; M124-K151 HydrophobicContact SD-CB 3.97Å; M124-K151 HydrophobicContact SD-CG 4.29Å; Q147-K151 WeakPolarHBondContact O-CB 3.5Å; Q147-K151 PolarHBondContact O-N 3.5Å; F148-K151 WeakPolarHBondContact O-CB 3.45Å; F148-K151 PolarHBondContact O-N 3.28Å; W149-K151 VanDerWaalsContact C-N 3.32Å; W149-K151 PolarHBondContact O-N 3.25Å; K151-K154 PolarHBondContact O-N 2.86Å; K151-M155 HydrophobicContact CD-SD 4.47Å; K151-M155 HydrophobicContact CG-SD 4.08Å; K151-M155 WeakPolarHBondContact O-CG 3.32Å; K151-M155 PolarHBondContact O-N 3.21Å
152	M	96	Very high	94.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-41.5	177.9	-72.9	-66.9	-71.2	0	0	111.8	V3 T53 I123 F148 W149 K154 M155 Y156 V160	V3-M152 HydrophobicContact CG1-CE 3.8Å; T53-M152 HydrophobicContact CG2-CE 4.33Å; T53-M152 HydrophobicContact CG2-SD 3.89Å; I123-M152 HydrophobicContact CD1-SD 4.43Å; F148-M152 HydrophobicContact CD1-CG 4.28Å; F148-M152 HydrophobicContact CD2-CG 4.2Å; F148-M152 HydrophobicContact CE1-CG 3.78Å; F148-M152 HydrophobicContact CE2-CG 3.68Å; F148-M152 HydrophobicContact CE2-SD 3.97Å; F148-M152 HydrophobicContact CG-CG 4.48Å; F148-M152 HydrophobicContact CZ-CE 4.47Å; F148-M152 HydrophobicContact CZ-CG 3.45Å; F148-M152 VanDerWaalsContact CZ-CG 3.45Å; F148-M152 HydrophobicContact CZ-SD 3.85Å; F148-M152 WeakPolarHBondContact O-CG 3.42Å; F148-M152 PolarHBondContact O-N 3.41Å; W149-M152 HydrophobicContact CE3-CB 4.31Å; W149-M152 PolarHBondContact O-N 3.28Å; M152-K154 VanDerWaalsContact C-N 3.32Å; M152-K154 PolarHBondContact O-N 3.15Å; M152-M155 PolarHBondContact O-N 2.75Å; M152-Y156 HydrophobicContact CE-CD2 3.79Å; M152-Y156 HydrophobicContact CE-CE2 3.75Å; M152-Y156 PolarHBondContact O-N 2.62Å; M152-Y156 HydrophobicContact SD-CD2 4.17Å; M152-Y156 HydrophobicContact SD-CE2 3.96Å; M152-V160 HydrophobicContact CB-CB 4.45Å; M152-V160 HydrophobicContact CB-CG1 3.78Å; M152-V160 HydrophobicContact CB-CG2 4.43Å
153	A	95.6	Very high	93.7	Very high	13 Å²	13	64.8 Å²	64.8	11%	0.107	33%	0.334	C	S	.	.	H	α-helix	trans	-60.1	-39.1	173.9	0	0	0	0	0	112.4	W149 Y156 P157 V160 D162	W149-A153 WeakPolarHBondContact O-CB 3.42Å; W149-A153 PolarHBondContact O-N 3.1Å; A153-Y156 CarbonylContact O-C 3.6Å; A153-P157 WeakPolarHBondContact O-CA 3.23Å; A153-P157 VanDerWaalsContact O-N 3.1Å; A153-V160 HydrophobicContact CB-CG1 4.3Å; A153-V160 WeakPolarHBondContact CB-O 3.38Å; A153-D162 HydrophobicContact CB-CB 3.96Å
154	K	95.4	Very high	93.2	Very high	172 Å²	172	63 Å²	63	75%	0.748	32%	0.322	S	S	*	.	H	α-helix	trans	-68.7	-35.1	174.6	-71	169.4	-174.8	173.2	0	113	G150 K151 M152	G150-K154 WeakPolarHBondContact O-CG 3.36Å; G150-K154 PolarHBondContact O-N 2.83Å; K151-K154 PolarHBondContact O-N 2.86Å; M152-K154 VanDerWaalsContact C-N 3.32Å; M152-K154 PolarHBondContact O-N 3.15Å
155	M	94.3	Very high	92.6	Very high	59 Å²	59	64.3 Å²	64.3	29%	0.291	34%	0.339	S	S	.	.	H	α-helix	trans	-78	-29.9	179.2	-70.4	175.8	61.3	0	0	112.7	N90 I123 K151 M152	N90-M155 HydrophobicContact CB-CE 4.29Å; N90-M155 VanDerWaalsContact ND2-CE 3.33Å; N90-M155 WeakPolarHBondContact ND2-CE 3.39Å; I123-M155 HydrophobicContact CB-SD 4.19Å; I123-M155 HydrophobicContact CD1-SD 4.41Å; I123-M155 HydrophobicContact CG2-CE 3.89Å; I123-M155 HydrophobicContact CG2-SD 3.84Å; K151-M155 HydrophobicContact CD-SD 4.47Å; K151-M155 HydrophobicContact CG-SD 4.08Å; K151-M155 WeakPolarHBondContact O-CG 3.32Å; K151-M155 PolarHBondContact O-N 3.21Å; M152-M155 PolarHBondContact O-N 2.75Å
156	Y	93.6	Very high	92	Very high	43 Å²	43	69.4 Å²	69.4	17%	0.169	37%	0.373	C	S	.	.	S	Bend	trans	-138.1	61.6	-173.5	-52.4	-74	0	0	0	111.7	V3 T53 M152 A153 D158 Q159 V160	V3-Y156 HydrophobicContact CG1-CD2 4.5Å; V3-Y156 HydrophobicContact CG2-CD1 3.55Å; V3-Y156 HydrophobicContact CG2-CD2 3.73Å; V3-Y156 HydrophobicContact CG2-CE1 4.13Å; V3-Y156 HydrophobicContact CG2-CE2 4.29Å; V3-Y156 HydrophobicContact CG2-CG 3.31Å; T53-Y156 PolarHBondContact OG1-OH 3.23Å; M152-Y156 HydrophobicContact CE-CD2 3.79Å; M152-Y156 HydrophobicContact CE-CE2 3.75Å; M152-Y156 PolarHBondContact O-N 2.62Å; M152-Y156 HydrophobicContact SD-CD2 4.17Å; M152-Y156 HydrophobicContact SD-CE2 3.96Å; A153-Y156 CarbonylContact O-C 3.6Å; Y156-D158 VanDerWaalsContact C-N 3.27Å; Y156-D158 PolarHBondContact O-N 3.15Å; Y156-Q159 PolarHBondContact O-N 3.17Å; Y156-V160 PolarHBondContact O-N 3.32Å
157	P	91.7	Very high	91.4	Very high	91 Å²	91	66.6 Å²	66.6	59%	0.591	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-29	-169.1	23.7	-34.8	0	0	0	114.6	A153 Q159	A153-P157 WeakPolarHBondContact O-CA 3.23Å; A153-P157 VanDerWaalsContact O-N 3.1Å; P157-Q159 VanDerWaalsContact C-N 3.31Å; P157-Q159 PolarHBondContact O-N 2.9Å
158	D	92	Very high	90.8	Very high	158 Å²	158	67 Å²	67	85%	0.845	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-10	-179.9	-54.6	-43.5	0	0	0	113.6	Y156	Y156-D158 VanDerWaalsContact C-N 3.27Å; Y156-D158 PolarHBondContact O-N 3.15Å
159	Q	90.4	Very high	90.5	Very high	78 Å²	78	68.6 Å²	68.6	36%	0.364	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-26	-171.4	-72.7	171	71.1	0	0	113.5	M1 V3 Y156 P157	M1-Q159 PolarHBondContact O-NE2 2.75Å; V3-Q159 HydrophobicContact CG2-CB 4.05Å; Y156-Q159 PolarHBondContact O-N 3.17Å; P157-Q159 VanDerWaalsContact C-N 3.31Å; P157-Q159 PolarHBondContact O-N 2.9Å
160	V	93.2	Very high	90.2	Very high	7 Å²	7	71.3 Å²	71.3	4%	0.042	38%	0.383	C	S	.	.			trans	-120.9	130.3	-174.2	-178	0	0	0	0	110.8	V3 L32 W149 M152 A153 Y156	V3-V160 HydrophobicContact CG2-CG2 4.14Å; L32-V160 HydrophobicContact CD1-CG2 4.12Å; L32-V160 HydrophobicContact CD2-CG2 3.9Å; W149-V160 HydrophobicContact CE3-CG1 3.96Å; W149-V160 HydrophobicContact CZ3-CG1 4.26Å; M152-V160 HydrophobicContact CB-CB 4.45Å; M152-V160 HydrophobicContact CB-CG1 3.78Å; M152-V160 HydrophobicContact CB-CG2 4.43Å; A153-V160 HydrophobicContact CB-CG1 4.3Å; A153-V160 WeakPolarHBondContact CB-O 3.38Å; Y156-V160 PolarHBondContact O-N 3.32Å
161	K	90.5	Very high	90.1	Very high	144 Å²	144	72.5 Å²	72.5	63%	0.626	39%	0.39	S	S	*	.			trans	-90.7	143.3	172.1	-57	174.2	-171.9	162.6	0	110.4
162	D	82.9	Confident	89.9	Confident	78 Å²	78	68.8 Å²	68.8	42%	0.417	38%	0.375	S	S	.	.	S	Bend	trans	-67	-49.5	-177.9	-167.8	-6.4	0	0	0	112	W149 G150 A153 V164	W149-D162 WeakPolarHBondContact CB-O 3.46Å; G150-D162 WeakPolarHBondContact CA-OD1 3.3Å; G150-D162 PolarHBondContact N-OD1 2.99Å; A153-D162 HydrophobicContact CB-CB 3.96Å; D162-V164 PolarHBondContact O-N 3.45Å
163	N	83.2	Confident	89.7	Confident	148 Å²	148	69.2 Å²	69.2	79%	0.791	38%	0.376	S	S	*	.			trans	-95.7	84.9	-175.7	-64.6	-48.7	0	0	0	111.6
164	V	85.6	Confident	89.6	Confident	22 Å²	22	70.1 Å²	70.1	13%	0.133	38%	0.382	C	S	.	.			trans	-83.9	121.1	171.2	-162.7	0	0	0	0	109.2	Q26 Q30 W149 D162	Q26-V164 HydrophobicContact CB-CG1 3.82Å; Q26-V164 HydrophobicContact CG-CG1 4.01Å; Q30-V164 HydrophobicContact CG-CG1 4.19Å; Q30-V164 HydrophobicContact CG-CG2 4.04Å; W149-V164 HydrophobicContact CB-CG2 3.96Å; W149-V164 HydrophobicContact CD2-CB 4.44Å; W149-V164 HydrophobicContact CD2-CG2 3.56Å; W149-V164 HydrophobicContact CE3-CG2 3.97Å; W149-V164 HydrophobicContact CG-CB 4.25Å; W149-V164 HydrophobicContact CG-CG2 3.54Å; D162-V164 PolarHBondContact O-N 3.45Å
165	G	84.7	Confident	89.5	Confident	41 Å²	41	62.8 Å²	62.8	42%	0.423	35%	0.35	S	S	.	.			trans	-67.8	-173.7	177.4	0	0	0	0	0	113.8	Q26	Q26-G165 PolarHBondContact NE2-O 3.48Å; Q26-G165 VanDerWaalsContact NE2-O 3.1Å
166	P	83.2	Confident	89.5	Confident	112 Å²	112	62.1 Å²	62.1	73%	0.727	35%	0.35	S	S	*	.	S	Bend	trans	-61.5	149.6	170.6	28.8	-34.8	0	0	0	110.2	L168	P166-L168 PolarHBondContact O-N 3.03Å
167	P	82.7	Confident	89.6	Confident	18 Å²	18	62.6 Å²	62.6	12%	0.117	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-69.2	126.6	-175.5	26.2	-32.5	0	0	0	112.9	M22 R25 Q26 Q29	M22-P167 HydrophobicContact CG-CG 4.29Å; R25-P167 HydrophobicContact CB-CB 3.53Å; R25-P167 HydrophobicContact CB-CG 4.47Å; Q26-P167 HydrophobicContact CG-CB 4.39Å; Q29-P167 VanDerWaalsContact NE2-C 3.32Å
168	L	85.5	Confident	89.6	Confident	129 Å²	129	60.5 Å²	60.5	68%	0.675	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-54.8	133	156.3	-95.1	155.7	0	0	0	110.8	Q29 P166	Q29-L168 HydrophobicContact CG-CB 4.21Å; Q29-L168 HydrophobicContact CG-CD1 4.32Å; Q29-L168 PolarHBondContact NE2-O 2.98Å; P166-L168 PolarHBondContact O-N 3.03Å
169	Y	90.3	Very high	89.6	Confident	34 Å²	34	58.5 Å²	58.5	13%	0.133	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-84.7	130.4	174.7	177.8	-101.5	0	0	0	111.8	P171 I313 H316 F317 A368 D371	Y169-P171 HydrophobicContact CE1-CG 4.06Å; Y169-I313 HydrophobicContact CD2-CB 4.32Å; Y169-I313 HydrophobicContact CD2-CG1 3.8Å; Y169-I313 HydrophobicContact CD2-CG2 3.91Å; Y169-I313 HydrophobicContact CE1-CG2 4.24Å; Y169-I313 HydrophobicContact CE2-CB 4.24Å; Y169-I313 HydrophobicContact CE2-CD1 4.18Å; Y169-I313 HydrophobicContact CE2-CG1 3.82Å; Y169-I313 HydrophobicContact CE2-CG2 3.48Å; Y169-I313 VanDerWaalsContact CE2-CG2 3.48Å; Y169-I313 HydrophobicContact CG-CG2 4.44Å; Y169-H316 WeakPolarHBondContact CB-CD2 3.46Å; Y169-H316 WeakPolarHBondContact CB-NE2 3.28Å; Y169-H316 HydrophobicContact CD1-CB 4.48Å; Y169-F317 HydrophobicContact CD1-CE2 4.5Å; Y169-F317 HydrophobicContact CD1-CZ 4.04Å; Y169-F317 HydrophobicContact CE1-CE1 4.49Å; Y169-F317 HydrophobicContact CE1-CE2 4.06Å; Y169-F317 AromaticContact CE1-CZ 3.51Å; Y169-F317 HydrophobicContact CE1-CZ 3.51Å; Y169-A368 HydrophobicContact CE1-CB 4.42Å; Y169-A368 VanDerWaalsContact OH-CA 3.29Å; Y169-A368 WeakPolarHBondContact OH-CA 3.33Å; Y169-A368 WeakPolarHBondContact OH-CB 3.3Å; Y169-D371 HydrophobicContact CE2-CB 4.15Å; Y169-D371 PolarHBondContact OH-OD2 3.49Å
170	S	91.4	Very high	89.4	Confident	59 Å²	59	60.2 Å²	60.2	41%	0.413	34%	0.338	S	S	.	.			trans	-136.8	143.3	161.7	57.8	0	0	0	0	108.5	S172	S170-S172 PolarHBondContact O-N 2.96Å
171	P	93.7	Very high	88.9	Confident	33 Å²	33	61.6 Å²	61.6	21%	0.214	35%	0.345	C	S	.	.			trans	-58.5	138.9	177.4	-25.3	34.1	0	0	0	112	Y169 Y173 N275 E367 D371	Y169-P171 HydrophobicContact CE1-CG 4.06Å; P171-Y173 PolarHBondContact O-N 2.93Å; P171-N275 PolarHBondContact O-ND2 2.81Å; P171-E367 HydrophobicContact CB-CB 3.7Å; P171-E367 HydrophobicContact CG-CB 4.03Å; P171-D371 WeakPolarHBondContact CA-OD2 3.24Å
172	S	91.9	Very high	87.9	Confident	6 Å²	6	64 Å²	64	4%	0.042	36%	0.358	C	S	.	.	S	Bend	trans	-67.1	-24.5	178.4	-65.5	0	0	0	0	113.2	S170 N275 D371	S170-S172 PolarHBondContact O-N 2.96Å; S172-N275 PolarHBondContact O-N 3.25Å; S172-D371 WeakPolarHBondContact CB-OD1 3.28Å; S172-D371 PolarHBondContact N-OD2 3.05Å; S172-D371 PolarHBondContact OG-OD1 3.04Å
173	Y	92.3	Very high	87.1	Confident	9 Å²	9	68.2 Å²	68.2	4%	0.035	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.1	-175.9	-50.5	-78.4	0	0	0	111.5	P171 I272 R273 P274 N275 S280 V281 P282 F285 E367 F370	P171-Y173 PolarHBondContact O-N 2.93Å; Y173-I272 HydrophobicContact CD1-CD1 4.01Å; Y173-I272 HydrophobicContact CE1-CD1 4.36Å; Y173-I272 HydrophobicContact CG-CD1 4.16Å; Y173-R273 CarbonylContact C-O 3.56Å; Y173-R273 VanDerWaalsContact CA-O 3.28Å; Y173-R273 WeakPolarHBondContact CA-O 3.38Å; Y173-P274 HydrophobicContact CD1-CB 4.45Å; Y173-P274 HydrophobicContact CD1-CG 4.33Å; Y173-P274 HydrophobicContact CE1-CG 4.34Å; Y173-N275 PolarHBondContact O-ND2 2.84Å; Y173-S280 PolarHBondContact OH-O 3.43Å; Y173-V281 HydrophobicContact CE1-CG2 3.89Å; Y173-P282 VanDerWaalsContact OH-CD 3.29Å; Y173-P282 WeakPolarHBondContact OH-CD 3.22Å; Y173-F285 HydrophobicContact CE2-CD2 4.46Å; Y173-F285 HydrophobicContact CE2-CE2 4.37Å; Y173-E367 WeakPolarHBondContact O-CB 3.48Å; Y173-E367 WeakPolarHBondContact O-CG 3.08Å; Y173-F370 HydrophobicContact CD2-CB 3.58Å; Y173-F370 HydrophobicContact CD2-CD1 4.32Å; Y173-F370 AromaticContact CD2-CG 3.9Å; Y173-F370 HydrophobicContact CD2-CG 3.9Å; Y173-F370 HydrophobicContact CE2-CB 4.02Å
174	S	93.1	Very high	85.7	Confident	31 Å²	31	70.9 Å²	70.9	22%	0.217	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	145.2	164.1	-72.5	0	0	0	0	109.9	I272 R273 N275	S174-I272 VanDerWaalsContact O-CA 3.32Å; S174-I272 WeakPolarHBondContact O-CA 3.37Å; S174-R273 PolarHBondContact N-O 3.25Å; S174-R273 PolarHBondContact O-N 2.81Å; S174-N275 VanDerWaalsContact CB-OD1 3.29Å; S174-N275 WeakPolarHBondContact CB-OD1 3.37Å; S174-N275 PolarHBondContact N-OD1 2.83Å; S174-N275 VanDerWaalsContact N-OD1 3.09Å; S174-N275 PolarHBondContact OG-OD1 3.44Å
175	I	94.3	Very high	84.1	Confident	18 Å²	18	72 Å²	72	9%	0.092	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.8	170.4	-70.5	172.5	0	0	0	109.6	W177 F270 F292 L366 E367 F370	I175-W177 HydrophobicContact CG2-CD2 4.07Å; I175-W177 HydrophobicContact CG2-CG 4.5Å; I175-W177 HydrophobicContact CG2-CH2 4.47Å; I175-W177 HydrophobicContact CG2-CZ2 4.02Å; I175-F270 HydrophobicContact CB-CD2 4.35Å; I175-F270 HydrophobicContact CD1-CD2 4.42Å; I175-F270 HydrophobicContact CD1-CE2 4.16Å; I175-F270 HydrophobicContact CD1-CZ 4.47Å; I175-F270 HydrophobicContact CG1-CD2 3.95Å; I175-F270 HydrophobicContact CG1-CE2 3.95Å; I175-F270 HydrophobicContact CG2-CB 3.74Å; I175-F270 HydrophobicContact CG2-CD2 3.75Å; I175-F270 HydrophobicContact CG2-CE2 4.49Å; I175-F270 HydrophobicContact CG2-CG 3.81Å; I175-F292 HydrophobicContact CD1-CE2 4Å; I175-F292 HydrophobicContact CD1-CZ 4.1Å; I175-L366 HydrophobicContact CD1-CB 3.54Å; I175-E367 HydrophobicContact CD1-CG 4.35Å; I175-E367 HydrophobicContact CG1-CG 4.18Å; I175-F370 HydrophobicContact CD1-CE2 4.31Å; I175-F370 HydrophobicContact CG1-CE2 4.31Å
176	V	93.9	Very high	82.6	Confident	45 Å²	45	77.2 Å²	77.2	27%	0.273	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	107.6	171.7	-177.5	0	0	0	0	107.7	I181 F270 Y271	V176-I181 HydrophobicContact CG1-CD1 4.18Å; V176-I181 HydrophobicContact CG1-CG1 3.98Å; V176-F270 WeakPolarHBondContact O-CA 3.24Å; V176-Y271 PolarHBondContact N-O 3.33Å; V176-Y271 PolarHBondContact O-N 3.01Å
177	W	94.4	Very high	81	Confident	53 Å²	53	81.6 Å²	81.6	20%	0.201	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	142.6	-179.4	-61.4	105	0	0	0	111	I175 D179 D180 I181 K268 F270 L366	I175-W177 HydrophobicContact CG2-CD2 4.07Å; I175-W177 HydrophobicContact CG2-CG 4.5Å; I175-W177 HydrophobicContact CG2-CH2 4.47Å; I175-W177 HydrophobicContact CG2-CZ2 4.02Å; W177-D179 PolarHBondContact O-N 2.84Å; W177-D180 HydrophobicContact CB-CB 4.44Å; W177-D180 WeakPolarHBondContact CB-OD2 3.45Å; W177-D180 PolarHBondContact O-N 2.71Å; W177-I181 WeakPolarHBondContact O-CG1 3.42Å; W177-K268 HydrophobicContact CD2-CD 4.15Å; W177-K268 HydrophobicContact CE3-CB 4.25Å; W177-K268 HydrophobicContact CE3-CD 3.5Å; W177-K268 VanDerWaalsContact CE3-CD 3.5Å; W177-K268 HydrophobicContact CE3-CG 3.62Å; W177-K268 HydrophobicContact CH2-CD 4.42Å; W177-K268 HydrophobicContact CZ3-CB 3.77Å; W177-K268 HydrophobicContact CZ3-CD 3.67Å; W177-K268 HydrophobicContact CZ3-CG 3.67Å; W177-F270 HydrophobicContact CD2-CB 4.28Å; W177-F270 HydrophobicContact CE3-CB 3.67Å; W177-F270 HydrophobicContact CE3-CD1 4.31Å; W177-F270 HydrophobicContact CE3-CG 4.37Å; W177-F270 HydrophobicContact CH2-CD1 4.29Å; W177-F270 HydrophobicContact CZ3-CB 3.98Å; W177-F270 AromaticContact CZ3-CD1 3.72Å; W177-F270 HydrophobicContact CZ3-CD1 3.72Å; W177-F270 HydrophobicContact CZ3-CG 4.19Å; W177-L366 HydrophobicContact CH2-CD1 3.97Å; W177-L366 HydrophobicContact CZ2-CD1 3.71Å
178	V	92.6	Very high	79.5	Confident	48 Å²	48	87.2 Å²	87.2	29%	0.291	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-59	-37.4	-179.9	172.5	0	0	0	0	111.9	D180 I181 P269 Y271 P289	V178-D180 VanDerWaalsContact C-N 3.32Å; V178-D180 PolarHBondContact O-N 3.38Å; V178-I181 WeakPolarHBondContact O-CB 3.17Å; V178-I181 PolarHBondContact O-N 3.35Å; V178-P269 HydrophobicContact CB-CG 4.1Å; V178-P269 HydrophobicContact CG2-CB 3.8Å; V178-P269 HydrophobicContact CG2-CG 3.89Å; V178-P269 WeakPolarHBondContact CG2-O 3.39Å; V178-P269 PolarHBondContact N-O 2.79Å; V178-Y271 HydrophobicContact CG2-CD2 4.11Å; V178-Y271 HydrophobicContact CG2-CE2 3.69Å; V178-P289 HydrophobicContact CG2-CB 4.24Å
179	D	91	Very high	77.7	Confident	116 Å²	116	87.9 Å²	87.9	62%	0.62	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-70.7	-25.9	-177.4	-55.5	-35.2	0	0	0	113.5	W177 I181 K268	W177-D179 PolarHBondContact O-N 2.84Å; D179-I181 PolarHBondContact O-N 3.45Å; D179-K268 WeakPolarHBondContact OD2-CE 3.34Å; D179-K268 IonicContact OD2-NZ 2.95Å
180	D	88	Confident	75.9	Confident	113 Å²	113	88 Å²	88	60%	0.604	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-79.8	-1.8	-179.8	-61.7	-21.7	0	0	0	111.9	W177 V178 E182	W177-D180 HydrophobicContact CB-CB 4.44Å; W177-D180 WeakPolarHBondContact CB-OD2 3.45Å; W177-D180 PolarHBondContact O-N 2.71Å; V178-D180 VanDerWaalsContact C-N 3.32Å; V178-D180 PolarHBondContact O-N 3.38Å; D180-E182 PolarHBondContact O-N 3.42Å
181	I	81.9	Confident	73.9	Confident	37 Å²	37	90.4 Å²	90.4	19%	0.19	43%	0.432	C	S	.	.			trans	-91.9	93.1	-177.1	-57.1	171.9	0	0	0	110.5	V176 W177 V178 D179 Q183 P185 Y271	V176-I181 HydrophobicContact CG1-CD1 4.18Å; V176-I181 HydrophobicContact CG1-CG1 3.98Å; W177-I181 WeakPolarHBondContact O-CG1 3.42Å; V178-I181 WeakPolarHBondContact O-CB 3.17Å; V178-I181 PolarHBondContact O-N 3.35Å; D179-I181 PolarHBondContact O-N 3.45Å; I181-Q183 VanDerWaalsContact C-N 3.26Å; I181-Q183 WeakPolarHBondContact CG2-O 3.42Å; I181-Q183 PolarHBondContact O-N 3.3Å; I181-P185 HydrophobicContact CD1-CG 4.13Å; I181-P185 HydrophobicContact CG2-CG 3.56Å; I181-Y271 HydrophobicContact CD1-CD2 3.62Å; I181-Y271 HydrophobicContact CD1-CE2 3.62Å
182	E	70.3	Confident	71.6	Confident	195 Å²	195	95.8 Å²	95.8	91%	0.911	46%	0.456	S	S	*	.	S	Bend	trans	-60.4	-30.7	179.1	-64.4	-174.9	167.2	0	0	113.9	D180	D180-E182 PolarHBondContact O-N 3.42Å
183	Q	64.4	Low	69.4	Low	165 Å²	165	97.5 Å²	97.5	77%	0.771	47%	0.468	S	S	*	.	S	Bend	trans	-129.1	122.6	175.3	-64.9	-178.7	11.2	0	0	107.9	I181 P185	I181-Q183 VanDerWaalsContact C-N 3.26Å; I181-Q183 WeakPolarHBondContact CG2-O 3.42Å; I181-Q183 PolarHBondContact O-N 3.3Å; Q183-P185 WeakPolarHBondContact O-CD 3.4Å
184	K	55.1	Low	67.2	Low	204 Å²	204	99.5 Å²	99.5	89%	0.887	48%	0.478	S	S	*	.			trans	-41.2	111.3	170.4	-82.5	-177	178.9	174.3	0	107.2	K186	K184-K186 PolarHBondContact O-N 3.25Å
185	P	51.7	Low	65.2	Low	46 Å²	46	99.2 Å²	99.2	30%	0.299	48%	0.476	S	S	.	.			trans	-59.4	142.6	-178.6	-20	36.9	0	0	0	104.3	I181 Q183 R187 L190	I181-P185 HydrophobicContact CD1-CG 4.13Å; I181-P185 HydrophobicContact CG2-CG 3.56Å; Q183-P185 WeakPolarHBondContact O-CD 3.4Å; P185-R187 PolarHBondContact O-N 2.77Å; P185-L190 HydrophobicContact CB-CD1 3.91Å; P185-L190 HydrophobicContact CB-CG 4.13Å; P185-L190 HydrophobicContact CG-CD1 3.64Å; P185-L190 HydrophobicContact CG-CG 4.27Å
186	K	52.7	Low	62.8	Low	150 Å²	150	104.8 Å²	104.8	65%	0.652	51%	0.506	S	S	*	.			trans	-47	116.5	163.8	-71.3	-174.7	178	-176.3	0	105.1	K184 E188 H189	K184-K186 PolarHBondContact O-N 3.25Å; K186-E188 HydrophobicContact CB-CB 4.26Å; K186-E188 CarbonylContact O-C 3.57Å; K186-E188 PolarHBondContact O-N 2.9Å; K186-H189 PolarHBondContact O-N 3.11Å
187	R	50.9	Low	60.8	Low	205 Å²	205	109.9 Å²	109.9	77%	0.774	52%	0.521	S	S	*	.	H	α-helix	trans	-44	-31.8	-176.8	-92.7	178.2	164.5	176.1	-6.2	111.4	P185 H189 L190 Q191	P185-R187 PolarHBondContact O-N 2.77Å; R187-H189 PolarHBondContact O-N 2.69Å; R187-L190 PolarHBondContact O-N 3.39Å; R187-Q191 WeakPolarHBondContact O-CB 3.06Å; R187-Q191 PolarHBondContact O-N 2.76Å; R187-Q191 VanDerWaalsContact O-N 3.16Å
188	E	49.7	Very low	58.9	Low	136 Å²	136	111 Å²	111	64%	0.636	53%	0.525	S	S	*	.	H	α-helix	trans	-45.7	-45.6	170.2	-61.6	170	-178.6	0	0	115.2	K186 M192	K186-E188 HydrophobicContact CB-CB 4.26Å; K186-E188 CarbonylContact O-C 3.57Å; K186-E188 PolarHBondContact O-N 2.9Å; E188-M192 WeakPolarHBondContact O-CG 3.5Å
189	H	48.3	Very low	57.1	Low	143 Å²	143	111 Å²	111	66%	0.662	53%	0.526	S	S	*	.	H	α-helix	trans	-75.3	-25.3	-175.9	-89.2	67.6	0	0	0	114	K186 R187	K186-H189 PolarHBondContact O-N 3.11Å; R187-H189 PolarHBondContact O-N 2.69Å
190	L	53	Low	55.2	Low	37 Å²	37	111 Å²	111	19%	0.194	53%	0.533	C	S	.	.	H	α-helix	trans	-90.4	-20.6	177.1	-68.4	172.1	0	0	0	112.4	P185 R187 Y271	P185-L190 HydrophobicContact CB-CD1 3.91Å; P185-L190 HydrophobicContact CB-CG 4.13Å; P185-L190 HydrophobicContact CG-CD1 3.64Å; P185-L190 HydrophobicContact CG-CG 4.27Å; R187-L190 PolarHBondContact O-N 3.39Å; L190-Y271 HydrophobicContact CB-CD1 4.38Å; L190-Y271 HydrophobicContact CD1-CD1 3.65Å; L190-Y271 HydrophobicContact CD1-CD2 3.8Å; L190-Y271 HydrophobicContact CD1-CE1 3.89Å; L190-Y271 HydrophobicContact CD1-CE2 3.97Å; L190-Y271 HydrophobicContact CD1-CG 3.62Å; L190-Y271 HydrophobicContact CD2-CG 4.32Å; L190-Y271 HydrophobicContact CG-CD1 4.48Å; L190-Y271 HydrophobicContact CG-CG 4.47Å
191	Q	49.8	Very low	53.6	Low	109 Å²	109	112.5 Å²	112.5	51%	0.509	54%	0.536	S	S	.	.	S	Bend	trans	-93.5	4.8	-178.2	-78.3	-178.9	-43.4	0	0	114.8	R187 C193 I194	R187-Q191 WeakPolarHBondContact O-CB 3.06Å; R187-Q191 PolarHBondContact O-N 2.76Å; R187-Q191 VanDerWaalsContact O-N 3.16Å; Q191-C193 PolarHBondContact O-N 2.74Å; Q191-I194 HydrophobicContact CB-CD1 4.37Å; Q191-I194 HydrophobicContact CG-CD1 4.4Å
192	M	44.1	Very low	52.7	Low	145 Å²	145	112 Å²	112	71%	0.714	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-2.5	-169.3	-74.7	-165.9	58.9	0	0	116.6	E188	E188-M192 WeakPolarHBondContact O-CG 3.5Å
193	C	45.6	Very low	52.9	Low	43 Å²	43	106.3 Å²	106.3	29%	0.291	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	24.1	-173.7	-58.8	0	0	0	0	115	Q191 S195 P274 V281	Q191-C193 PolarHBondContact O-N 2.74Å; C193-S195 PolarHBondContact O-N 2.71Å; C193-P274 HydrophobicContact CB-CG 4.45Å; C193-V281 HydrophobicContact CB-CB 3.99Å; C193-V281 HydrophobicContact CB-CG2 3.43Å; C193-V281 VanDerWaalsContact CB-CG2 3.43Å; C193-V281 WeakPolarHBondContact O-CB 3.28Å; C193-V281 PolarHBondContact O-N 3.33Å
194	I	46.4	Very low	53.8	Low	50 Å²	50	101.1 Å²	101.1	26%	0.256	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-67.3	125.3	172.4	-54.1	175.5	0	0	0	109.2	Q191 N196	Q191-I194 HydrophobicContact CB-CD1 4.37Å; Q191-I194 HydrophobicContact CG-CD1 4.4Å; I194-N196 WeakPolarHBondContact CG2-OD1 3.16Å; I194-N196 PolarHBondContact O-N 2.66Å
195	S	50.5	Low	55.5	Low	25 Å²	25	92 Å²	92	18%	0.175	46%	0.458	C	S	.	.			trans	-65.8	78.6	166.1	57.2	0	0	0	0	109.9	D41 C193 R197	D41-S195 WeakPolarHBondContact OD1-CB 3.5Å; C193-S195 PolarHBondContact O-N 2.71Å; S195-R197 PolarHBondContact O-N 2.68Å
196	N	44.8	Very low	57.6	Low	136 Å²	136	94.3 Å²	94.3	73%	0.727	47%	0.466	S	S	*	.			trans	-73.9	35.3	-170.8	-95.5	-14.5	0	0	0	115.5	I194	I194-N196 WeakPolarHBondContact CG2-OD1 3.16Å; I194-N196 PolarHBondContact O-N 2.66Å
197	R	51.1	Low	59.7	Low	152 Å²	152	87.1 Å²	87.1	57%	0.574	44%	0.435	S	S	*	.			trans	-140.1	58.3	-179.7	-59.7	-171.3	-162.1	-164.9	7.2	113.7	D43 S195 P199	D43-R197 IonicContact OD2-CZ 2.89Å; D43-R197 IonicContact OD2-NH1 3.84Å; D43-R197 PolarHBondContact OD2-NH1 3.18Å; D43-R197 IonicContact OD2-NH2 2.75Å; D43-R197 PolarHBondContact OD2-NH2 3.34Å; S195-R197 PolarHBondContact O-N 2.68Å; R197-P199 WeakPolarHBondContact O-CD 3.49Å
198	R	56.1	Low	62	Low	76 Å²	76	80.2 Å²	80.2	29%	0.287	41%	0.411	S	S	.	.			trans	-67	128.7	148.5	-77.8	-159.5	-165.8	-178.9	4.2	107.5	S202	R198-S202 WeakPolarHBondContact CD-O 3.37Å; R198-S202 PolarHBondContact NH1-O 3.06Å
199	P	53.9	Low	64.3	Low	49 Å²	49	73.7 Å²	73.7	32%	0.318	38%	0.381	S	S	.	.			trans	-51.5	151.9	162.2	-20.9	31.5	0	0	0	109	R197 E201 S202	R197-P199 WeakPolarHBondContact O-CD 3.49Å; P199-E201 PolarHBondContact O-N 3.14Å; P199-S202 WeakPolarHBondContact O-CA 3.1Å; P199-S202 WeakPolarHBondContact O-CB 3.24Å; P199-S202 PolarHBondContact O-N 3.35Å
200	P	51.7	Low	66.7	Low	116 Å²	116	69.6 Å²	69.6	75%	0.753	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-50.7	-34	176.6	-27.1	34.2	0	0	0	113.4	S202 C203	P200-S202 PolarHBondContact O-N 3.29Å; P200-C203 WeakPolarHBondContact O-CB 3.4Å; P200-C203 PolarHBondContact O-N 2.97Å; P200-C203 VanDerWaalsContact O-N 3.17Å
201	E	53.2	Low	68.9	Low	143 Å²	143	71.9 Å²	71.9	67%	0.668	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-62	-19.8	175.2	-62.6	165.1	-162.3	0	0	113.5	P199	P199-E201 PolarHBondContact O-N 3.14Å
202	S	64.5	Low	71.2	Confident	26 Å²	26	67.9 Å²	67.9	18%	0.182	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-102.6	6.7	179.4	-54.2	0	0	0	0	113.2	R198 P199 P200	R198-S202 WeakPolarHBondContact CD-O 3.37Å; R198-S202 PolarHBondContact NH1-O 3.06Å; P199-S202 WeakPolarHBondContact O-CA 3.1Å; P199-S202 WeakPolarHBondContact O-CB 3.24Å; P199-S202 PolarHBondContact O-N 3.35Å; P200-S202 PolarHBondContact O-N 3.29Å
203	C	74.5	Confident	73.8	Confident	77 Å²	77	65.6 Å²	65.6	52%	0.52	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-60.8	125.2	171.2	-75.2	0	0	0	0	109.3	P200 V205	P200-C203 WeakPolarHBondContact O-CB 3.4Å; P200-C203 PolarHBondContact O-N 2.97Å; P200-C203 VanDerWaalsContact O-N 3.17Å; C203-V205 PolarHBondContact O-N 3.45Å
204	P	82.9	Confident	76.3	Confident	55 Å²	55	66.9 Å²	66.9	36%	0.357	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-67.3	136.8	-178.6	26.2	-30.9	0	0	0	111.1	E428 A429	P204-E428 HydrophobicContact CB-CG 3.59Å; P204-E428 VanDerWaalsContact CB-OE1 3.3Å; P204-E428 WeakPolarHBondContact CB-OE1 3.43Å; P204-A429 CarbonylContact C-O 2.99Å; P204-A429 VanDerWaalsContact CA-O 3.29Å; P204-A429 WeakPolarHBondContact CA-O 3.18Å
205	V	91.1	Very high	78.7	Confident	12 Å²	12	66.6 Å²	66.6	7%	0.073	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	153	164.1	-61.1	0	0	0	0	109.8	C203 L231 P233 A235 A429	C203-V205 PolarHBondContact O-N 3.45Å; V205-L231 HydrophobicContact CG2-CD2 4.29Å; V205-P233 HydrophobicContact CG1-CG 4.42Å; V205-A235 HydrophobicContact CG1-CB 4.1Å; V205-A429 WeakPolarHBondContact CG2-O 3.39Å; V205-A429 PolarHBondContact N-O 3.04Å; V205-A429 PolarHBondContact O-N 2.85Å
206	M	95.1	Very high	81	Confident	95 Å²	95	65.8 Å²	65.8	47%	0.468	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	110.5	170.2	-64.4	-59	154.1	0	0	107.9	K232 V426 E428	M206-K232 PolarHBondContact N-O 2.95Å; M206-K232 PolarHBondContact O-N 3.34Å; M206-V426 HydrophobicContact CB-CG1 3.74Å; M206-V426 HydrophobicContact CG-CG1 4.39Å; M206-V426 HydrophobicContact SD-CG1 4.17Å; M206-E428 HydrophobicContact CE-CG 4.47Å
207	A	97.5	Very high	83.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.1	-178.6	0	0	0	0	0	109.8	F229 D230 L231 M243 V426 V427 A429	A207-F229 HydrophobicContact CB-CB 4.28Å; A207-F229 HydrophobicContact CB-CD1 3.89Å; A207-F229 HydrophobicContact CB-CG 4.43Å; A207-D230 CarbonylContact C-O 3.45Å; A207-D230 WeakPolarHBondContact CA-O 3.34Å; A207-L231 HydrophobicContact CB-CD2 3.57Å; A207-M243 HydrophobicContact CB-CE 3.42Å; A207-M243 VanDerWaalsContact CB-CE 3.42Å; A207-V426 WeakPolarHBondContact O-CA 3.27Å; A207-V427 HydrophobicContact CB-CG2 3.84Å; A207-V427 PolarHBondContact N-O 3.46Å; A207-V427 PolarHBondContact O-N 3.44Å; A207-A429 HydrophobicContact CB-CB 4.3Å
208	E	98.3	Very high	85.6	Confident	59 Å²	59	64.6 Å²	64.6	28%	0.276	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.5	177.3	-173.5	178.5	159.1	0	0	110.1	V210 F229 D230 K232 V426	E208-V210 PolarHBondContact O-N 3.36Å; E208-F229 CarbonylContact O-C 3.52Å; E208-F229 VanDerWaalsContact O-CA 3.23Å; E208-F229 WeakPolarHBondContact O-CA 3.43Å; E208-D230 PolarHBondContact N-O 3.18Å; E208-D230 PolarHBondContact O-N 3.19Å; E208-K232 IonicContact OE2-NZ 3.64Å; E208-K232 PolarHBondContact OE2-NZ 3.48Å; E208-V426 HydrophobicContact CB-CG2 4.23Å; E208-V426 HydrophobicContact CG-CG2 4.25Å
209	I	98.7	Very high	87.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	117.4	176.2	-66.4	176.9	0	0	0	108.7	N212 I227 F229 L421 P423 G424 A425 V427	I209-N212 HydrophobicContact CG2-CB 4.03Å; I209-I227 HydrophobicContact CD1-CG2 4.45Å; I209-I227 HydrophobicContact CG1-CG2 4.33Å; I209-I227 HydrophobicContact CG2-CG2 4.13Å; I209-F229 HydrophobicContact CD1-CE1 4.19Å; I209-F229 HydrophobicContact CG1-CD1 3.89Å; I209-F229 HydrophobicContact CG1-CE1 3.53Å; I209-F229 HydrophobicContact CG1-CZ 4.33Å; I209-L421 HydrophobicContact CD1-CB 3.55Å; I209-L421 HydrophobicContact CD1-CD1 3.73Å; I209-L421 HydrophobicContact CD1-CG 4.3Å; I209-P423 CarbonylContact O-C 3.13Å; I209-P423 VanDerWaalsContact O-CA 3.26Å; I209-P423 WeakPolarHBondContact O-CA 3.33Å; I209-G424 PolarHBondContact O-N 2.87Å; I209-A425 HydrophobicContact CD1-CB 4.41Å; I209-A425 PolarHBondContact N-O 3.3Å; I209-V427 HydrophobicContact CD1-CG1 4.32Å
210	V	98.5	Very high	89.5	Confident	56 Å²	56	62 Å²	62	34%	0.339	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-41.3	172.9	179.7	0	0	0	0	110.2	E208 S228 D230 P423	E208-V210 PolarHBondContact O-N 3.36Å; V210-S228 PolarHBondContact N-O 3.11Å; V210-D230 HydrophobicContact CG2-CB 3.87Å; V210-P423 WeakPolarHBondContact O-CB 3.44Å
211	Q	98.4	Very high	91.6	Very high	85 Å²	85	63.1 Å²	63.1	40%	0.397	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	144.4	-178	-173.5	170.4	0.7	0	0	110.2	Q213 I227 S228	Q211-Q213 HydrophobicContact CG-CB 4.26Å; Q211-I227 CarbonylContact O-C 3.54Å; Q211-I227 VanDerWaalsContact O-CA 3.29Å; Q211-I227 WeakPolarHBondContact O-CA 3.4Å; Q211-I227 WeakPolarHBondContact O-CG2 3.25Å; Q211-S228 PolarHBondContact N-O 2.53Å; Q211-S228 PolarHBondContact O-N 3.09Å
212	N	98.6	Very high	93.6	Very high	25 Å²	25	59 Å²	59	13%	0.134	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	88	176.1	-174.3	-11.9	0	0	0	108.9	I209 R225 I227 L418 L421	I209-N212 HydrophobicContact CG2-CB 4.03Å; N212-R225 WeakPolarHBondContact OD1-CD 3.47Å; N212-R225 PolarHBondContact OD1-NH1 2.99Å; N212-I227 HydrophobicContact CB-CG2 4.34Å; N212-L418 PolarHBondContact ND2-O 2.89Å; N212-L421 PolarHBondContact ND2-O 3.31Å
213	Q	97.9	Very high	95.2	Very high	97 Å²	97	59.3 Å²	59.3	45%	0.453	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.6	-170.4	178.2	175.3	-3	0	0	111.3	Q211 I215 R225 L226	Q211-Q213 HydrophobicContact CG-CB 4.26Å; Q213-I215 PolarHBondContact O-N 2.73Å; Q213-R225 CarbonylContact O-C 3.48Å; Q213-R225 WeakPolarHBondContact O-CA 3.39Å; Q213-R225 WeakPolarHBondContact O-CB 3.23Å; Q213-L226 PolarHBondContact N-O 2.77Å; Q213-L226 PolarHBondContact O-N 2.87Å
214	R	98	Very high	96.3	Very high	71 Å²	71	56 Å²	56	27%	0.268	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	123.8	165.3	-176.3	-177.6	174.4	144.7	-8.2	109.9	T216 D217 K218 H220 D223 V224	R214-T216 WeakPolarHBondContact CG-O 3.24Å; R214-T216 PolarHBondContact NE-O 2.62Å; R214-T216 PolarHBondContact NE-OG1 3.16Å; R214-D217 PolarHBondContact NE-O 2.89Å; R214-D217 PolarHBondContact NH2-O 3.4Å; R214-K218 PolarHBondContact NH2-O 3.36Å; R214-H220 PolarHBondContact NH2-O 3.11Å; R214-D223 WeakPolarHBondContact CD-OD2 3.43Å; R214-D223 IonicContact CZ-OD2 3.91Å; R214-D223 IonicContact NE-OD2 3.16Å; R214-D223 IonicContact NH1-OD2 2.82Å; R214-D223 PolarHBondContact NH1-OD2 3.16Å; R214-V224 CarbonylContact C-O 3.38Å; R214-V224 WeakPolarHBondContact CA-O 3.37Å
215	I	97.7	Very high	97.1	Very high	43 Å²	43	55.7 Å²	55.7	22%	0.221	28%	0.279	C	S	.	.			trans	-108.5	8.8	-179.2	60.1	161.5	0	0	0	113.3	Q213 V224 L226 I396 L486	Q213-I215 PolarHBondContact O-N 2.73Å; I215-V224 HydrophobicContact CD1-CG1 4.38Å; I215-V224 HydrophobicContact CG1-CG1 4.25Å; I215-V224 WeakPolarHBondContact CG1-O 3.37Å; I215-V224 PolarHBondContact N-O 3.12Å; I215-L226 HydrophobicContact CD1-CB 4.25Å; I215-L226 HydrophobicContact CG1-CB 4.48Å; I215-L226 HydrophobicContact CG2-CB 3.57Å; I215-I396 HydrophobicContact CD1-CG2 4.17Å; I215-L486 HydrophobicContact CD1-CB 4.16Å; I215-L486 HydrophobicContact CD1-CD2 3.85Å; I215-L486 HydrophobicContact CD1-CG 4.45Å; I215-L486 HydrophobicContact CG1-CD2 4.1Å
216	T	98.2	Very high	97.4	Very high	9 Å²	9	56.3 Å²	56.3	6%	0.055	28%	0.281	C	S	.	.	S	Bend	trans	-105.4	151.4	168.6	38.3	0	0	0	0	109.1	R214 Q222 V224 K483 D484 L486	R214-T216 WeakPolarHBondContact CG-O 3.24Å; R214-T216 PolarHBondContact NE-O 2.62Å; R214-T216 PolarHBondContact NE-OG1 3.16Å; T216-Q222 PolarHBondContact OG1-O 3.39Å; T216-V224 HydrophobicContact CG2-CB 3.69Å; T216-V224 HydrophobicContact CG2-CG2 3.8Å; T216-V224 PolarHBondContact OG1-N 3.22Å; T216-V224 PolarHBondContact OG1-O 3.21Å; T216-K483 WeakPolarHBondContact CA-O 3.47Å; T216-D484 HydrophobicContact CG2-CB 3.96Å; T216-L486 HydrophobicContact CG2-CD2 3.87Å
217	D	97.6	Very high	97.6	Very high	72 Å²	72	51.9 Å²	51.9	39%	0.385	26%	0.259	S	S	.	.			trans	-53.9	144.5	174.4	173.1	-109.7	0	0	0	111.1	R214 G219 H220 K483	R214-D217 PolarHBondContact NE-O 2.89Å; R214-D217 PolarHBondContact NH2-O 3.4Å; D217-G219 PolarHBondContact O-N 3.1Å; D217-G219 VanDerWaalsContact OD1-CA 3.25Å; D217-G219 WeakPolarHBondContact OD1-CA 3.42Å; D217-G219 PolarHBondContact OD1-N 3.08Å; D217-H220 HydrophobicContact CB-CB 4.42Å; D217-H220 VanDerWaalsContact O-CB 3.23Å; D217-H220 WeakPolarHBondContact O-CB 3.32Å; D217-H220 PolarHBondContact O-N 3.27Å; D217-H220 PolarHBondContact OD1-N 3.25Å; D217-K483 HydrophobicContact CB-CB 4.03Å; D217-K483 HydrophobicContact CB-CG 4.14Å; D217-K483 PolarHBondContact N-O 3.48Å
218	K	95.7	Very high	97.7	Very high	191 Å²	191	52 Å²	52	83%	0.83	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.5	-177.9	-69.6	-178.6	-179.5	176.5	0	112.4	R214 H220	R214-K218 PolarHBondContact NH2-O 3.36Å; K218-H220 VanDerWaalsContact C-N 3.35Å
219	G	95.1	Very high	97.7	Very high	61 Å²	61	49.2 Å²	49.2	63%	0.629	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.9	174.9	0	0	0	0	0	114.1	D217	D217-G219 PolarHBondContact O-N 3.1Å; D217-G219 VanDerWaalsContact OD1-CA 3.25Å; D217-G219 WeakPolarHBondContact OD1-CA 3.42Å; D217-G219 PolarHBondContact OD1-N 3.08Å
220	H	97.1	Very high	97.6	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.037	26%	0.26	C	S	.	.	S	Bend	trans	-69.7	137.9	172.1	-161.1	75.3	0	0	0	110.7	R214 D217 K218 Q222 Y480 K483 D484	R214-H220 PolarHBondContact NH2-O 3.11Å; D217-H220 HydrophobicContact CB-CB 4.42Å; D217-H220 VanDerWaalsContact O-CB 3.23Å; D217-H220 WeakPolarHBondContact O-CB 3.32Å; D217-H220 PolarHBondContact O-N 3.27Å; D217-H220 PolarHBondContact OD1-N 3.25Å; K218-H220 VanDerWaalsContact C-N 3.35Å; H220-Q222 VanDerWaalsContact C-N 3.33Å; H220-Q222 PolarHBondContact CD2-N 2.92Å; H220-Q222 PolarHBondContact CD2-O 3.46Å; H220-Q222 PolarHBondContact O-N 2.96Å; H220-Y480 AromaticContact CE1-CD2 3.96Å; H220-K483 HydrophobicContact CB-CB 4.1Å; H220-K483 WeakPolarHBondContact ND1-CB 3.44Å; H220-D484 IonicContact CE1-OD1 2.81Å; H220-D484 PolarHBondContact CE1-OD1 2.89Å; H220-D484 IonicContact CE1-OD2 2.73Å; H220-D484 IonicContact ND1-OD1 3.21Å; H220-D484 IonicContact NE2-OD2 3.96Å
221	F	94.5	Very high	97.5	Very high	140 Å²	140	49.4 Å²	49.4	61%	0.614	25%	0.246	S	C	*	.	S	Bend	trans	-70	-30.1	-174.9	79.6	-82	0	0	0	113.1
222	Q	96.2	Very high	97.1	Very high	58 Å²	58	50.2 Å²	50.2	27%	0.271	25%	0.249	S	C	.	.	S	Bend	trans	-97	110.7	-179.6	-170.5	168.3	13.8	0	0	109.6	T216 H220 V224	T216-Q222 PolarHBondContact OG1-O 3.39Å; H220-Q222 VanDerWaalsContact C-N 3.33Å; H220-Q222 PolarHBondContact CD2-N 2.92Å; H220-Q222 PolarHBondContact CD2-O 3.46Å; H220-Q222 PolarHBondContact O-N 2.96Å; Q222-V224 HydrophobicContact CG-CG2 4.07Å; Q222-V224 PolarHBondContact O-N 3.11Å
223	D	97.9	Very high	96.6	Very high	32 Å²	32	53.7 Å²	53.7	17%	0.171	27%	0.273	C	S	.	.			trans	-74.4	114.1	172.9	-168.7	-50.4	0	0	0	108.7	R214 R225 V399	R214-D223 WeakPolarHBondContact CD-OD2 3.43Å; R214-D223 IonicContact CZ-OD2 3.91Å; R214-D223 IonicContact NE-OD2 3.16Å; R214-D223 IonicContact NH1-OD2 2.82Å; R214-D223 PolarHBondContact NH1-OD2 3.16Å; D223-R225 VanDerWaalsContact OD1-CG 3.22Å; D223-R225 WeakPolarHBondContact OD1-CG 3.36Å; D223-R225 IonicContact OD1-NE 2.68Å; D223-R225 PolarHBondContact OD1-NE 3.19Å; D223-V399 HydrophobicContact CB-CB 4.08Å; D223-V399 HydrophobicContact CB-CG2 4.04Å; D223-V399 PolarHBondContact O-N 3.2Å
224	V	98.5	Very high	96.1	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.5	173.3	-175.8	0	0	0	0	108.7	R214 I215 T216 Q222 I396 V397 A398 T452 L486	R214-V224 CarbonylContact C-O 3.38Å; R214-V224 WeakPolarHBondContact CA-O 3.37Å; I215-V224 HydrophobicContact CD1-CG1 4.38Å; I215-V224 HydrophobicContact CG1-CG1 4.25Å; I215-V224 WeakPolarHBondContact CG1-O 3.37Å; I215-V224 PolarHBondContact N-O 3.12Å; T216-V224 HydrophobicContact CG2-CB 3.69Å; T216-V224 HydrophobicContact CG2-CG2 3.8Å; T216-V224 PolarHBondContact OG1-N 3.22Å; T216-V224 PolarHBondContact OG1-O 3.21Å; Q222-V224 HydrophobicContact CG-CG2 4.07Å; Q222-V224 PolarHBondContact O-N 3.11Å; V224-I396 HydrophobicContact CG1-CG2 3.38Å; V224-V397 WeakPolarHBondContact CA-O 3.49Å; V224-A398 HydrophobicContact CG2-CB 4.27Å; V224-T452 HydrophobicContact CG1-CG2 4.04Å; V224-L486 HydrophobicContact CB-CD2 4.26Å; V224-L486 HydrophobicContact CG1-CD1 4.11Å; V224-L486 HydrophobicContact CG1-CD2 4.1Å
225	R	98.5	Very high	95.7	Very high	49 Å²	49	53.5 Å²	53.5	19%	0.185	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.2	-176.5	-56	-154.1	174.7	-173.4	5.4	112.5	N212 Q213 D223 I227 I396 V397 V399 A419	N212-R225 WeakPolarHBondContact OD1-CD 3.47Å; N212-R225 PolarHBondContact OD1-NH1 2.99Å; Q213-R225 CarbonylContact O-C 3.48Å; Q213-R225 WeakPolarHBondContact O-CA 3.39Å; Q213-R225 WeakPolarHBondContact O-CB 3.23Å; D223-R225 VanDerWaalsContact OD1-CG 3.22Å; D223-R225 WeakPolarHBondContact OD1-CG 3.36Å; D223-R225 IonicContact OD1-NE 2.68Å; D223-R225 PolarHBondContact OD1-NE 3.19Å; R225-I227 HydrophobicContact CB-CD1 4.39Å; R225-I227 HydrophobicContact CB-CG1 4.01Å; R225-I396 CarbonylContact O-C 3.44Å; R225-I396 VanDerWaalsContact O-CA 3.31Å; R225-I396 WeakPolarHBondContact O-CA 3.33Å; R225-V397 PolarHBondContact N-O 3.09Å; R225-V397 PolarHBondContact O-N 2.76Å; R225-V399 HydrophobicContact CG-CG2 4.27Å; R225-A419 PolarHBondContact NH1-O 2.94Å; R225-A419 PolarHBondContact NH2-O 3.29Å
226	L	98.6	Very high	95.4	Very high	25 Å²	25	56.7 Å²	56.7	13%	0.131	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.7	161.7	-171.7	67.8	0	0	0	107.2	Q213 I215 E394 L395 I396	Q213-L226 PolarHBondContact N-O 2.77Å; Q213-L226 PolarHBondContact O-N 2.87Å; I215-L226 HydrophobicContact CD1-CB 4.25Å; I215-L226 HydrophobicContact CG1-CB 4.48Å; I215-L226 HydrophobicContact CG2-CB 3.57Å; L226-E394 HydrophobicContact CD1-CB 3.99Å; L226-L395 WeakPolarHBondContact CA-O 3.35Å; L226-I396 HydrophobicContact CD1-CG1 3.89Å
227	I	98.8	Very high	95.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.1	-178	-47.6	-178.8	0	0	0	108.2	I209 Q211 N212 R225 F229 E394 L395 V397 L418	I209-I227 HydrophobicContact CD1-CG2 4.45Å; I209-I227 HydrophobicContact CG1-CG2 4.33Å; I209-I227 HydrophobicContact CG2-CG2 4.13Å; Q211-I227 CarbonylContact O-C 3.54Å; Q211-I227 VanDerWaalsContact O-CA 3.29Å; Q211-I227 WeakPolarHBondContact O-CA 3.4Å; Q211-I227 WeakPolarHBondContact O-CG2 3.25Å; N212-I227 HydrophobicContact CB-CG2 4.34Å; R225-I227 HydrophobicContact CB-CD1 4.39Å; R225-I227 HydrophobicContact CB-CG1 4.01Å; I227-F229 HydrophobicContact CB-CE2 3.76Å; I227-F229 HydrophobicContact CB-CZ 4.08Å; I227-F229 HydrophobicContact CG2-CD2 4.26Å; I227-F229 HydrophobicContact CG2-CE1 4.13Å; I227-F229 HydrophobicContact CG2-CE2 3.46Å; I227-F229 VanDerWaalsContact CG2-CE2 3.46Å; I227-F229 HydrophobicContact CG2-CZ 3.4Å; I227-E394 CarbonylContact O-C 3.57Å; I227-E394 WeakPolarHBondContact O-CA 3.23Å; I227-L395 PolarHBondContact N-O 2.85Å; I227-L395 PolarHBondContact O-N 3.39Å; I227-V397 HydrophobicContact CD1-CB 4.3Å; I227-V397 HydrophobicContact CD1-CG2 4.08Å; I227-L418 HydrophobicContact CD1-CB 4.02Å
228	S	98.6	Very high	95.1	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.4	-178.1	-47.6	0	0	0	0	109.8	V210 Q211 L393	V210-S228 PolarHBondContact N-O 3.11Å; Q211-S228 PolarHBondContact N-O 2.53Å; Q211-S228 PolarHBondContact O-N 3.09Å; S228-L393 CarbonylContact C-O 3.56Å; S228-L393 VanDerWaalsContact CA-O 3.29Å; S228-L393 WeakPolarHBondContact CA-O 3.42Å
229	F	98.6	Very high	95	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.1	-174.4	-60.9	-94.1	0	0	0	111.4	A207 E208 I209 I227 L231 M243 I245 L393 L395 L418 V427	A207-F229 HydrophobicContact CB-CB 4.28Å; A207-F229 HydrophobicContact CB-CD1 3.89Å; A207-F229 HydrophobicContact CB-CG 4.43Å; E208-F229 CarbonylContact O-C 3.52Å; E208-F229 VanDerWaalsContact O-CA 3.23Å; E208-F229 WeakPolarHBondContact O-CA 3.43Å; I209-F229 HydrophobicContact CD1-CE1 4.19Å; I209-F229 HydrophobicContact CG1-CD1 3.89Å; I209-F229 HydrophobicContact CG1-CE1 3.53Å; I209-F229 HydrophobicContact CG1-CZ 4.33Å; I227-F229 HydrophobicContact CB-CE2 3.76Å; I227-F229 HydrophobicContact CB-CZ 4.08Å; I227-F229 HydrophobicContact CG2-CD2 4.26Å; I227-F229 HydrophobicContact CG2-CE1 4.13Å; I227-F229 HydrophobicContact CG2-CE2 3.46Å; I227-F229 VanDerWaalsContact CG2-CE2 3.46Å; I227-F229 HydrophobicContact CG2-CZ 3.4Å; F229-L231 HydrophobicContact CB-CD2 4.14Å; F229-M243 HydrophobicContact CB-CE 4.47Å; F229-M243 HydrophobicContact CD1-CE 4.02Å; F229-M243 HydrophobicContact CD2-CE 4.39Å; F229-M243 HydrophobicContact CD2-SD 4.22Å; F229-M243 HydrophobicContact CE1-CE 4.31Å; F229-M243 HydrophobicContact CE2-SD 4.49Å; F229-M243 HydrophobicContact CG-CE 4.05Å; F229-M243 HydrophobicContact CG-SD 4.4Å; F229-I245 HydrophobicContact CZ-CD1 4.2Å; F229-L393 HydrophobicContact CD2-CD2 4.17Å; F229-L393 PolarHBondContact N-O 3.49Å; F229-L393 PolarHBondContact O-N 3.2Å; F229-L395 HydrophobicContact CD2-CD1 4.38Å; F229-L395 HydrophobicContact CD2-CG 4.3Å; F229-L395 HydrophobicContact CE2-CB 4.28Å; F229-L395 HydrophobicContact CE2-CD1 3.63Å; F229-L395 HydrophobicContact CE2-CG 3.84Å; F229-L395 HydrophobicContact CZ-CD1 4.19Å; F229-L418 HydrophobicContact CZ-CD2 4.4Å; F229-V427 HydrophobicContact CD1-CG2 4.16Å; F229-V427 HydrophobicContact CE1-CG2 3.74Å
230	D	97.5	Very high	95	Very high	49 Å²	49	47.4 Å²	47.4	26%	0.262	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.7	163	-176.1	27.6	0	0	0	109.2	A207 E208 V210 K232	A207-D230 CarbonylContact C-O 3.45Å; A207-D230 WeakPolarHBondContact CA-O 3.34Å; E208-D230 PolarHBondContact N-O 3.18Å; E208-D230 PolarHBondContact O-N 3.19Å; V210-D230 HydrophobicContact CG2-CB 3.87Å; D230-K232 WeakPolarHBondContact OD2-CE 3.33Å; D230-K232 IonicContact OD2-NZ 2.68Å
231	L	95	Very high	94.9	Very high	11 Å²	11	48 Å²	48	6%	0.058	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.2	-171.9	-56	-175.3	0	0	0	110.7	V205 A207 F229 P233 N234 A235 M243 L393 I431	V205-L231 HydrophobicContact CG2-CD2 4.29Å; A207-L231 HydrophobicContact CB-CD2 3.57Å; F229-L231 HydrophobicContact CB-CD2 4.14Å; L231-P233 CarbonylContact C-O 3.52Å; L231-P233 CarbonylContact O-C 3.6Å; L231-N234 WeakPolarHBondContact O-CA 3.21Å; L231-N234 PolarHBondContact O-N 3.07Å; L231-N234 VanDerWaalsContact O-N 3.14Å; L231-N234 PolarHBondContact O-OD1 2.98Å; L231-N234 VanDerWaalsContact O-OD1 3.1Å; L231-A235 HydrophobicContact CD1-CB 4.06Å; L231-M243 HydrophobicContact CD2-CE 4.15Å; L231-L393 HydrophobicContact CD1-CB 4.46Å; L231-L393 HydrophobicContact CD1-CD1 3.87Å; L231-I431 HydrophobicContact CD1-CD1 4.34Å
232	K	91.8	Very high	95	Very high	102 Å²	102	41.5 Å²	41.5	44%	0.443	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	114.8	-179.9	-64.8	174.3	-175.3	167	0	111	M206 E208 D230	M206-K232 PolarHBondContact N-O 2.95Å; M206-K232 PolarHBondContact O-N 3.34Å; E208-K232 IonicContact OE2-NZ 3.64Å; E208-K232 PolarHBondContact OE2-NZ 3.48Å; D230-K232 WeakPolarHBondContact OD2-CE 3.33Å; D230-K232 IonicContact OD2-NZ 2.68Å
233	P	87.6	Confident	95	Very high	98 Å²	98	38.8 Å²	38.8	64%	0.636	21%	0.214	S	C	*	.	S	Bend	cis	-65.4	163.4	-10.3	31.8	-36.8	0	0	0	111.8	V205 L231 A235	V205-P233 HydrophobicContact CG1-CG 4.42Å; L231-P233 CarbonylContact C-O 3.52Å; L231-P233 CarbonylContact O-C 3.6Å; P233-A235 PolarHBondContact O-N 3.27Å
234	N	87.1	Confident	94.9	Very high	141 Å²	141	37.6 Å²	37.6	75%	0.754	21%	0.208	S	C	*	.			trans	-53.6	128.8	174.3	-70.4	-5.4	0	0	0	110	L231	L231-N234 WeakPolarHBondContact O-CA 3.21Å; L231-N234 PolarHBondContact O-N 3.07Å; L231-N234 VanDerWaalsContact O-N 3.14Å; L231-N234 PolarHBondContact O-OD1 2.98Å; L231-N234 VanDerWaalsContact O-OD1 3.1Å
235	A	88.8	Confident	94.8	Very high	22 Å²	22	37.2 Å²	37.2	18%	0.182	21%	0.206	C	C	.	.			trans	-115.2	122.9	173.7	0	0	0	0	0	109.7	V205 L231 P233 I431	V205-A235 HydrophobicContact CG1-CB 4.1Å; L231-A235 HydrophobicContact CD1-CB 4.06Å; P233-A235 PolarHBondContact O-N 3.27Å; A235-I431 HydrophobicContact CB-CG1 4Å
236	P	91.2	Very high	94.6	Very high	111 Å²	111	35.7 Å²	35.7	72%	0.721	20%	0.2	S	C	*	.			trans	-67.4	147.8	175.2	30	-34.3	0	0	0	110.4
237	Y	94.6	Very high	94.6	Very high	13 Å²	13	34.6 Å²	34.6	5%	0.051	20%	0.195	C	C	.	.			trans	-146.5	152	174.8	63.4	-89.8	0	0	0	110	I383 S385 I387 L393	Y237-I383 HydrophobicContact CD2-CD1 3.9Å; Y237-I383 HydrophobicContact CD2-CG2 3.85Å; Y237-I383 HydrophobicContact CE2-CG2 3.65Å; Y237-I383 HydrophobicContact CG-CD1 3.94Å; Y237-S385 PolarHBondContact OH-OG 3.46Å; Y237-I387 HydrophobicContact CD1-CD1 4.21Å; Y237-I387 HydrophobicContact CE1-CB 4.05Å; Y237-I387 HydrophobicContact CE1-CD1 4.19Å; Y237-I387 HydrophobicContact CE1-CG1 4.13Å; Y237-I387 HydrophobicContact CE2-CB 4.09Å; Y237-I387 PolarHBondContact OH-N 2.82Å; Y237-L393 HydrophobicContact CD1-CD1 4.06Å; Y237-L393 HydrophobicContact CE1-CB 4.16Å; Y237-L393 HydrophobicContact CE1-CD1 4.09Å; Y237-L393 HydrophobicContact CE1-CG 4.3Å; Y237-L393 HydrophobicContact CG-CD1 4.48Å
238	N	95.1	Very high	94.5	Very high	107 Å²	107	38.5 Å²	38.5	57%	0.572	21%	0.212	S	C	*	.			trans	-110	159.5	175.6	-61.3	-71.1	0	0	0	110.4	G240 D241	N238-G240 PolarHBondContact O-N 2.93Å; N238-D241 PolarHBondContact N-OD2 2.92Å; N238-D241 VanDerWaalsContact O-CB 3.3Å; N238-D241 WeakPolarHBondContact O-CB 3.41Å; N238-D241 PolarHBondContact O-N 3.35Å; N238-D241 VanDerWaalsContact O-N 3.09Å
239	P	95.2	Very high	94.5	Very high	17 Å²	17	38.5 Å²	38.5	11%	0.11	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	136.4	166.2	-24.8	34.4	0	0	0	111.3	D241 F438 S459 F460 F463	P239-D241 VanDerWaalsContact C-N 3.32Å; P239-F438 VanDerWaalsContact C-CD2 3.49Å; P239-F438 HydrophobicContact CB-CD2 3.76Å; P239-F438 HydrophobicContact CB-CE2 4.16Å; P239-F438 WeakPolarHBondContact O-CD2 3.29Å; P239-S459 WeakPolarHBondContact CA-OG 3.45Å; P239-F460 HydrophobicContact CB-CB 4.16Å; P239-F460 HydrophobicContact CB-CD2 4.32Å; P239-F463 HydrophobicContact CG-CB 3.58Å; P239-F463 HydrophobicContact CG-CD1 4.37Å; P239-F463 HydrophobicContact CG-CD2 4.1Å; P239-F463 HydrophobicContact CG-CG 3.79Å
240	G	93.9	Very high	94.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	-12.2	-177.6	0	0	0	0	0	114	N238 G434 F438	N238-G240 PolarHBondContact O-N 2.93Å; G240-G434 WeakPolarHBondContact O-CA 3.39Å; G240-G434 PolarHBondContact O-N 2.83Å; G240-F438 VanDerWaalsContact CA-CE2 3.49Å
241	D	95.3	Very high	94.4	Very high	20 Å²	20	40.8 Å²	40.8	11%	0.107	23%	0.227	C	C	.	.			trans	-70.6	158.3	172.3	-67.9	-19.5	0	0	0	111.7	N238 P239 I383 I431 Q433	N238-D241 PolarHBondContact N-OD2 2.92Å; N238-D241 VanDerWaalsContact O-CB 3.3Å; N238-D241 WeakPolarHBondContact O-CB 3.41Å; N238-D241 PolarHBondContact O-N 3.35Å; N238-D241 VanDerWaalsContact O-N 3.09Å; P239-D241 VanDerWaalsContact C-N 3.32Å; D241-I383 HydrophobicContact CB-CD1 3.98Å; D241-I383 WeakPolarHBondContact O-CB 3.38Å; D241-I383 WeakPolarHBondContact O-CG1 3.24Å; D241-I383 PolarHBondContact O-N 3.12Å; D241-I431 HydrophobicContact CB-CG2 4.06Å; D241-Q433 WeakPolarHBondContact OD1-CA 3.4Å
242	V	95.4	Very high	94.5	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.03	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.7	177.7	-55.9	0	0	0	0	110.2	V244 F381 K432 W588	V242-V244 HydrophobicContact CG2-CG2 4.21Å; V242-F381 CarbonylContact C-O 3.55Å; V242-F381 VanDerWaalsContact CA-O 3.28Å; V242-F381 WeakPolarHBondContact CA-O 3.48Å; V242-F381 WeakPolarHBondContact CB-O 3.38Å; V242-K432 HydrophobicContact CG2-CB 3.89Å; V242-K432 HydrophobicContact CG2-CG 4.49Å; V242-K432 WeakPolarHBondContact CG2-O 3.39Å; V242-K432 PolarHBondContact N-O 3.35Å; V242-K432 PolarHBondContact O-N 3.06Å; V242-W588 HydrophobicContact CG1-CH2 4.45Å
243	M	96.5	Very high	94.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124	165.3	-174.2	178.4	175.3	0	0	108.3	A207 F229 L231 I245 S380 F381 I383 L393 L395 V427 A429 I431	A207-M243 HydrophobicContact CB-CE 3.42Å; A207-M243 VanDerWaalsContact CB-CE 3.42Å; F229-M243 HydrophobicContact CB-CE 4.47Å; F229-M243 HydrophobicContact CD1-CE 4.02Å; F229-M243 HydrophobicContact CD2-CE 4.39Å; F229-M243 HydrophobicContact CD2-SD 4.22Å; F229-M243 HydrophobicContact CE1-CE 4.31Å; F229-M243 HydrophobicContact CE2-SD 4.49Å; F229-M243 HydrophobicContact CG-CE 4.05Å; F229-M243 HydrophobicContact CG-SD 4.4Å; L231-M243 HydrophobicContact CD2-CE 4.15Å; M243-I245 HydrophobicContact CE-CD1 4.3Å; M243-I245 HydrophobicContact CE-CG1 4.15Å; M243-I245 HydrophobicContact CG-CG1 4.17Å; M243-I245 HydrophobicContact SD-CD1 4.41Å; M243-I245 HydrophobicContact SD-CG1 4.45Å; M243-S380 WeakPolarHBondContact O-CA 3.49Å; M243-F381 PolarHBondContact N-O 2.86Å; M243-F381 PolarHBondContact O-N 3.21Å; M243-I383 HydrophobicContact CB-CG1 4.23Å; M243-L393 HydrophobicContact CB-CD2 4.46Å; M243-L393 HydrophobicContact SD-CD1 4.15Å; M243-L393 HydrophobicContact SD-CD2 3.53Å; M243-L393 VanDerWaalsContact SD-CD2 3.53Å; M243-L395 HydrophobicContact CB-CD1 4.31Å; M243-L395 HydrophobicContact CB-CD2 4.02Å; M243-L395 HydrophobicContact SD-CD1 3.85Å; M243-L395 HydrophobicContact SD-CD2 4.5Å; M243-L395 HydrophobicContact SD-CG 4.32Å; M243-V427 HydrophobicContact CE-CG2 4.45Å; M243-A429 HydrophobicContact CE-CB 3.23Å; M243-A429 HydrophobicContact CG-CB 4.06Å; M243-A429 HydrophobicContact SD-CB 4.47Å; M243-I431 HydrophobicContact CB-CD1 4.17Å; M243-I431 HydrophobicContact CG-CD1 4.18Å
244	V	95.4	Very high	95.1	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123	175.6	-171.1	0	0	0	0	108.3	V242 P378 R379 A429 W430 K432	V242-V244 HydrophobicContact CG2-CG2 4.21Å; V244-P378 HydrophobicContact CG1-CB 3.43Å; V244-P378 VanDerWaalsContact CG1-CB 3.43Å; V244-R379 WeakPolarHBondContact CA-O 3.41Å; V244-A429 CarbonylContact O-C 3.53Å; V244-A429 WeakPolarHBondContact O-CA 3.37Å; V244-A429 VanDerWaalsContact O-CB 3.28Å; V244-A429 WeakPolarHBondContact O-CB 3.4Å; V244-W430 HydrophobicContact CB-CD2 4.01Å; V244-W430 HydrophobicContact CB-CG 4.27Å; V244-W430 HydrophobicContact CB-CZ2 3.91Å; V244-W430 HydrophobicContact CG1-CD2 4.34Å; V244-W430 HydrophobicContact CG1-CH2 3.97Å; V244-W430 HydrophobicContact CG1-CZ2 3.32Å; V244-W430 PolarHBondContact N-O 2.91Å; V244-W430 PolarHBondContact O-N 3.48Å; V244-K432 HydrophobicContact CG2-CB 3.99Å; V244-K432 HydrophobicContact CG2-CD 4.41Å
245	I	97.1	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.2	-176.1	-64.1	178.2	0	0	0	109.2	F229 M243 P247 P378 R379 F381 L395 W417 L418 V427 A429	F229-I245 HydrophobicContact CZ-CD1 4.2Å; M243-I245 HydrophobicContact CE-CD1 4.3Å; M243-I245 HydrophobicContact CE-CG1 4.15Å; M243-I245 HydrophobicContact CG-CG1 4.17Å; M243-I245 HydrophobicContact SD-CD1 4.41Å; M243-I245 HydrophobicContact SD-CG1 4.45Å; I245-P247 VanDerWaalsContact O-CD 3.27Å; I245-P247 WeakPolarHBondContact O-CD 3.31Å; I245-P378 CarbonylContact O-C 3.47Å; I245-P378 VanDerWaalsContact O-CA 3.25Å; I245-P378 WeakPolarHBondContact O-CA 3.44Å; I245-R379 PolarHBondContact N-O 3.4Å; I245-R379 PolarHBondContact O-N 3.28Å; I245-F381 HydrophobicContact CD1-CD2 4Å; I245-F381 HydrophobicContact CD1-CE2 4.2Å; I245-F381 HydrophobicContact CG1-CD2 4.45Å; I245-L395 HydrophobicContact CD1-CD1 3.66Å; I245-W417 HydrophobicContact CG2-CZ3 3.73Å; I245-L418 HydrophobicContact CD1-CD1 3.86Å; I245-L418 HydrophobicContact CD1-CD2 4.24Å; I245-L418 HydrophobicContact CG2-CD2 4.44Å; I245-V427 HydrophobicContact CG2-CG2 4.45Å; I245-A429 HydrophobicContact CG1-CB 4.18Å
246	Q	95.5	Very high	96	Very high	16 Å²	16	36.5 Å²	36.5	8%	0.075	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	106.4	169.2	-180	65.4	55.9	0	0	109.1	I376 E428 W430	Q246-I376 PolarHBondContact NE2-O 3.02Å; Q246-E428 HydrophobicContact CB-CB 4.36Å; Q246-E428 PolarHBondContact N-O 3.01Å; Q246-W430 HydrophobicContact CB-CZ3 4.28Å
247	P	97.4	Very high	96.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.013	17%	0.165	C	C	.	.			trans	-82.6	168.4	179.7	34.6	-33	0	0	0	112.1	I245 I376 L413 C414 W417	I245-P247 VanDerWaalsContact O-CD 3.27Å; I245-P247 WeakPolarHBondContact O-CD 3.31Å; P247-I376 HydrophobicContact CG-CG2 3.54Å; P247-L413 HydrophobicContact CB-CG 4.37Å; P247-L413 HydrophobicContact CG-CD2 4.22Å; P247-L413 HydrophobicContact CG-CG 4.31Å; P247-C414 HydrophobicContact CB-CB 3.85Å; P247-C414 HydrophobicContact CG-CB 3.9Å; P247-W417 HydrophobicContact CB-CD2 4.25Å; P247-W417 HydrophobicContact CB-CE3 3.77Å; P247-W417 HydrophobicContact CB-CZ3 4.22Å
248	K	97.7	Very high	96.4	Very high	84 Å²	84	32.9 Å²	32.9	37%	0.365	17%	0.172	S	C	.	.			trans	-116.3	155.7	171.3	-54.9	-171.5	-175	-143.3	0	110.5	S297 D298 L413 W417	K248-S297 CarbonylContact C-O 3.6Å; K248-S297 WeakPolarHBondContact CA-O 3.14Å; K248-S297 WeakPolarHBondContact CB-O 3.48Å; K248-D298 WeakPolarHBondContact CD-OD1 3.1Å; K248-D298 WeakPolarHBondContact CE-OD1 3.21Å; K248-D298 IonicContact NZ-OD1 2.89Å; K248-D298 PolarHBondContact NZ-OD1 2.9Å; K248-D298 IonicContact NZ-OD2 2.8Å; K248-L413 WeakPolarHBondContact O-CD1 2.87Å; K248-W417 HydrophobicContact CB-CZ2 4.36Å; K248-W417 HydrophobicContact CD-CZ2 4.34Å; K248-W417 HydrophobicContact CG-CZ2 3.93Å
249	N	98.4	Very high	96.4	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	17%	0.173	C	C	.	.			trans	-60.6	144.3	172.8	-74.3	-53.6	0	0	0	111.7	Q254 V296 S297 F300 L302	N249-Q254 HydrophobicContact CB-CG 3.84Å; N249-Q254 PolarHBondContact O-NE2 3.47Å; N249-V296 PolarHBondContact ND2-O 3.39Å; N249-S297 PolarHBondContact N-O 2.93Å; N249-F300 PolarHBondContact ND2-O 3.02Å; N249-L302 HydrophobicContact CB-CD1 4.02Å; N249-L302 WeakPolarHBondContact ND2-CG 3.31Å
250	L	97.4	Very high	96.5	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	17%	0.174	C	C	.	.			trans	-65.9	144.4	173.2	-56.2	178.6	0	0	0	110	E252 S253 Q254 L411 N416 W417	L250-E252 HydrophobicContact CB-CG 4.3Å; L250-E252 WeakPolarHBondContact CB-OE2 3.39Å; L250-E252 PolarHBondContact O-N 3.34Å; L250-S253 PolarHBondContact O-N 3.16Å; L250-Q254 WeakPolarHBondContact O-CG 3.19Å; L250-Q254 PolarHBondContact O-N 3.43Å; L250-Q254 VanDerWaalsContact O-N 3.09Å; L250-L411 HydrophobicContact CD1-CD1 3.87Å; L250-N416 HydrophobicContact CD1-CB 4.29Å; L250-N416 HydrophobicContact CD2-CB 4.45Å; L250-W417 HydrophobicContact CD2-CB 4Å
251	T	96.8	Very high	96.6	Very high	93 Å²	93	32.6 Å²	32.6	57%	0.571	18%	0.176	S	C	*	.	H	α-helix	trans	-53.9	-40.4	-179	-53.2	0	0	0	0	112.2	S253 Q254 N255	T251-S253 PolarHBondContact O-N 3.17Å; T251-Q254 PolarHBondContact O-N 2.83Å; T251-N255 PolarHBondContact O-N 2.8Å; T251-N255 PolarHBondContact O-ND2 3.12Å; T251-N255 PolarHBondContact O-OD1 3.18Å
252	E	95.5	Very high	96.4	Very high	66 Å²	66	37.3 Å²	37.3	31%	0.308	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-38.2	176.3	62.5	-91	-145.6	0	0	113.3	L250 Q254 N255 D256 R420	L250-E252 HydrophobicContact CB-CG 4.3Å; L250-E252 WeakPolarHBondContact CB-OE2 3.39Å; L250-E252 PolarHBondContact O-N 3.34Å; E252-Q254 VanDerWaalsContact C-N 3.34Å; E252-N255 PolarHBondContact O-N 3.48Å; E252-D256 WeakPolarHBondContact O-CB 3.42Å; E252-D256 PolarHBondContact O-N 3.34Å; E252-R420 IonicContact OE1-CZ 2.71Å; E252-R420 IonicContact OE1-NH1 3.83Å; E252-R420 PolarHBondContact OE1-NH1 3.17Å; E252-R420 IonicContact OE1-NH2 3.2Å; E252-R420 PolarHBondContact OE1-NH2 3.27Å; E252-R420 IonicContact OE2-CZ 3.54Å; E252-R420 IonicContact OE2-NH1 2.7Å; E252-R420 PolarHBondContact OE2-NH1 2.92Å
253	S	96	Very high	96.4	Very high	16 Å²	16	38 Å²	38	11%	0.112	21%	0.214	C	C	.	.	H	α-helix	trans	-69.5	-34.8	177.9	-57.8	0	0	0	0	111.5	L250 T251 F257 Q303	L250-S253 PolarHBondContact O-N 3.16Å; T251-S253 PolarHBondContact O-N 3.17Å; S253-F257 PolarHBondContact O-N 2.82Å; S253-Q303 PolarHBondContact OG-NE2 3.48Å
254	Q	97.7	Very high	96.2	Very high	33 Å²	33	43.6 Å²	43.6	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-46.2	173.8	-60.2	176.7	41.3	0	0	110.7	N249 L250 T251 E252 D256 F257 F258 V296 L302	N249-Q254 HydrophobicContact CB-CG 3.84Å; N249-Q254 PolarHBondContact O-NE2 3.47Å; L250-Q254 WeakPolarHBondContact O-CG 3.19Å; L250-Q254 PolarHBondContact O-N 3.43Å; L250-Q254 VanDerWaalsContact O-N 3.09Å; T251-Q254 PolarHBondContact O-N 2.83Å; E252-Q254 VanDerWaalsContact C-N 3.34Å; Q254-D256 PolarHBondContact O-N 3.11Å; Q254-F257 WeakPolarHBondContact O-CB 3.28Å; Q254-F257 PolarHBondContact O-N 3.36Å; Q254-F258 WeakPolarHBondContact O-CD2 3.47Å; Q254-F258 PolarHBondContact O-N 2.94Å; Q254-V296 HydrophobicContact CB-CG1 4.12Å; Q254-V296 HydrophobicContact CG-CG1 4.17Å; Q254-L302 HydrophobicContact CG-CD1 4.45Å
255	N	97.5	Very high	96.2	Very high	100 Å²	100	47 Å²	47	54%	0.535	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-43.7	177.4	-68	-14	0	0	0	111.6	T251 E252 F257 F258 S259	T251-N255 PolarHBondContact O-N 2.8Å; T251-N255 PolarHBondContact O-ND2 3.12Å; T251-N255 PolarHBondContact O-OD1 3.18Å; E252-N255 PolarHBondContact O-N 3.48Å; N255-F257 VanDerWaalsContact C-N 3.31Å; N255-F257 PolarHBondContact O-N 3.4Å; N255-F258 PolarHBondContact O-N 3.49Å; N255-S259 WeakPolarHBondContact O-CB 3.32Å; N255-S259 PolarHBondContact O-N 3.13Å
256	D	96	Very high	96.2	Very high	69 Å²	69	48 Å²	48	37%	0.369	29%	0.285	S	S	.	.	H	α-helix	trans	-59.5	-42.8	175.4	-77.8	-18.4	0	0	0	111.3	E252 Q254 S259 I260 V351 R355	E252-D256 WeakPolarHBondContact O-CB 3.42Å; E252-D256 PolarHBondContact O-N 3.34Å; Q254-D256 PolarHBondContact O-N 3.11Å; D256-S259 PolarHBondContact O-N 3.26Å; D256-S259 PolarHBondContact O-OG 2.89Å; D256-I260 WeakPolarHBondContact O-CD1 3.27Å; D256-I260 WeakPolarHBondContact O-CG1 3.47Å; D256-I260 PolarHBondContact O-N 3.33Å; D256-V351 HydrophobicContact CB-CG1 3.71Å; D256-R355 IonicContact OD1-NH2 3.68Å
257	F	97.6	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-52	175.8	178.8	-89.7	0	0	0	111.8	S253 Q254 N255 S259 I260 V261 I263 V296 L302 V351 L354 W369 L373	S253-F257 PolarHBondContact O-N 2.82Å; Q254-F257 WeakPolarHBondContact O-CB 3.28Å; Q254-F257 PolarHBondContact O-N 3.36Å; N255-F257 VanDerWaalsContact C-N 3.31Å; N255-F257 PolarHBondContact O-N 3.4Å; F257-S259 PolarHBondContact O-N 3.44Å; F257-I260 PolarHBondContact O-N 3.21Å; F257-V261 HydrophobicContact CD1-CB 4.31Å; F257-V261 HydrophobicContact CD2-CG2 4.16Å; F257-V261 HydrophobicContact CE1-CB 3.8Å; F257-V261 HydrophobicContact CE1-CG1 4.09Å; F257-V261 HydrophobicContact CE1-CG2 4.06Å; F257-V261 HydrophobicContact CE2-CB 4.35Å; F257-V261 HydrophobicContact CE2-CG2 3.69Å; F257-V261 HydrophobicContact CZ-CB 3.83Å; F257-V261 HydrophobicContact CZ-CG1 3.98Å; F257-V261 HydrophobicContact CZ-CG2 3.64Å; F257-V261 PolarHBondContact O-N 3.47Å; F257-I263 HydrophobicContact CE1-CD1 4.39Å; F257-V296 HydrophobicContact CB-CG1 4.32Å; F257-V296 HydrophobicContact CD1-CB 4.41Å; F257-V296 HydrophobicContact CD1-CG1 3.83Å; F257-V296 HydrophobicContact CD1-CG2 3.58Å; F257-V296 HydrophobicContact CE1-CG1 4.5Å; F257-V296 HydrophobicContact CE1-CG2 3.4Å; F257-V296 VanDerWaalsContact CE1-CG2 3.4Å; F257-V296 HydrophobicContact CG-CG1 4.21Å; F257-V296 HydrophobicContact CG-CG2 4.43Å; F257-V296 HydrophobicContact CZ-CG2 4.13Å; F257-L302 HydrophobicContact CB-CD1 4.15Å; F257-L302 HydrophobicContact CB-CD2 4.31Å; F257-L302 HydrophobicContact CD2-CD2 3.66Å; F257-L302 HydrophobicContact CE2-CD2 4.24Å; F257-L302 HydrophobicContact CG-CD2 4.08Å; F257-V351 HydrophobicContact CB-CG2 4.28Å; F257-V351 HydrophobicContact CD2-CG2 4.35Å; F257-L354 HydrophobicContact CD2-CD1 4.02Å; F257-L354 HydrophobicContact CE2-CD1 3.88Å; F257-W369 HydrophobicContact CE2-CE3 4.31Å; F257-W369 HydrophobicContact CE2-CH2 4.37Å; F257-W369 AromaticContact CE2-CZ3 3.98Å; F257-W369 HydrophobicContact CE2-CZ3 3.98Å; F257-W369 HydrophobicContact CZ-CE3 4.29Å; F257-W369 HydrophobicContact CZ-CH2 4.47Å; F257-W369 HydrophobicContact CZ-CZ3 4.26Å; F257-L373 HydrophobicContact CE2-CD1 3.89Å; F257-L373 HydrophobicContact CZ-CD1 4.34Å
258	F	97.1	Very high	96.3	Very high	47 Å²	47	53.6 Å²	53.6	21%	0.206	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-18.1	179.6	-73.1	-61	0	0	0	113.6	Q254 N255 I260 I263 P266 V296	Q254-F258 WeakPolarHBondContact O-CD2 3.47Å; Q254-F258 PolarHBondContact O-N 2.94Å; N255-F258 PolarHBondContact O-N 3.49Å; F258-I260 VanDerWaalsContact C-N 3.3Å; F258-I263 HydrophobicContact CE1-CD1 4.21Å; F258-P266 HydrophobicContact CE1-CB 3.92Å; F258-P266 HydrophobicContact CE1-CG 4.08Å; F258-P266 HydrophobicContact CZ-CB 4.17Å; F258-V296 HydrophobicContact CD2-CG1 4.28Å; F258-V296 HydrophobicContact CE1-CG2 4.22Å; F258-V296 HydrophobicContact CE2-CB 4.01Å; F258-V296 HydrophobicContact CE2-CG1 3.62Å; F258-V296 HydrophobicContact CE2-CG2 4.37Å; F258-V296 HydrophobicContact CZ-CB 3.81Å; F258-V296 HydrophobicContact CZ-CG1 3.9Å; F258-V296 HydrophobicContact CZ-CG2 3.79Å
259	S	95.9	Very high	96.2	Very high	84 Å²	84	51.7 Å²	51.7	59%	0.587	31%	0.309	S	S	*	.	H	α-helix	trans	-73.9	-21	171.7	78.3	0	0	0	0	113.6	N255 D256 F257	N255-S259 WeakPolarHBondContact O-CB 3.32Å; N255-S259 PolarHBondContact O-N 3.13Å; D256-S259 PolarHBondContact O-N 3.26Å; D256-S259 PolarHBondContact O-OG 2.89Å; F257-S259 PolarHBondContact O-N 3.44Å
260	I	96.3	Very high	96	Very high	26 Å²	26	51.6 Å²	51.6	13%	0.133	31%	0.308	C	S	.	.	H	α-helix	trans	-103.4	-43.5	-178.3	-59.8	159	0	0	0	110.1	D256 F257 F258 V351 L354 R355 V361	D256-I260 WeakPolarHBondContact O-CD1 3.27Å; D256-I260 WeakPolarHBondContact O-CG1 3.47Å; D256-I260 PolarHBondContact O-N 3.33Å; F257-I260 PolarHBondContact O-N 3.21Å; F258-I260 VanDerWaalsContact C-N 3.3Å; I260-V351 HydrophobicContact CD1-CG1 3.88Å; I260-V351 WeakPolarHBondContact CD1-O 3.26Å; I260-L354 HydrophobicContact CG2-CB 4.05Å; I260-R355 HydrophobicContact CD1-CB 3.77Å; I260-R355 HydrophobicContact CD1-CG 4.41Å; I260-R355 HydrophobicContact CG1-CB 4.32Å; I260-V361 HydrophobicContact CG2-CG1 4.1Å
261	V	96.2	Very high	95.8	Very high	8 Å²	8	53.8 Å²	53.8	5%	0.048	32%	0.317	C	S	.	.	S	Bend	trans	-101.1	109.3	-175.1	-174.6	0	0	0	0	109.5	F257 I263 L354 V361 W369	F257-V261 HydrophobicContact CD1-CB 4.31Å; F257-V261 HydrophobicContact CD2-CG2 4.16Å; F257-V261 HydrophobicContact CE1-CB 3.8Å; F257-V261 HydrophobicContact CE1-CG1 4.09Å; F257-V261 HydrophobicContact CE1-CG2 4.06Å; F257-V261 HydrophobicContact CE2-CB 4.35Å; F257-V261 HydrophobicContact CE2-CG2 3.69Å; F257-V261 HydrophobicContact CZ-CB 3.83Å; F257-V261 HydrophobicContact CZ-CG1 3.98Å; F257-V261 HydrophobicContact CZ-CG2 3.64Å; F257-V261 PolarHBondContact O-N 3.47Å; V261-I263 HydrophobicContact CG1-CD1 4.25Å; V261-I263 HydrophobicContact CG1-CG1 3.98Å; V261-I263 PolarHBondContact O-N 3.05Å; V261-L354 HydrophobicContact CG2-CD1 4.35Å; V261-V361 HydrophobicContact CG2-CG1 3.88Å; V261-W369 HydrophobicContact CB-CH2 4.44Å; V261-W369 HydrophobicContact CB-CZ2 4.2Å; V261-W369 HydrophobicContact CG1-CH2 4.12Å; V261-W369 HydrophobicContact CG1-CZ2 3.43Å; V261-W369 VanDerWaalsContact CG1-CZ2 3.43Å; V261-W369 HydrophobicContact CG2-CH2 3.42Å; V261-W369 VanDerWaalsContact CG2-CH2 3.42Å; V261-W369 HydrophobicContact CG2-CZ2 3.63Å; V261-W369 HydrophobicContact CG2-CZ3 4.3Å
262	S	91.4	Very high	95.6	Very high	119 Å²	119	49.5 Å²	49.5	83%	0.832	29%	0.29	S	S	*	.			trans	-80.9	111.6	177.5	-66.9	0	0	0	0	110.6
263	I	94.8	Very high	95.2	Very high	20 Å²	20	53.6 Å²	53.6	10%	0.103	30%	0.303	C	S	.	.			trans	-117.3	117	173.8	-55.2	-175.6	0	0	0	107.1	F257 F258 V261 D265 P266 F292 L366	F257-I263 HydrophobicContact CE1-CD1 4.39Å; F258-I263 HydrophobicContact CE1-CD1 4.21Å; V261-I263 HydrophobicContact CG1-CD1 4.25Å; V261-I263 HydrophobicContact CG1-CG1 3.98Å; V261-I263 PolarHBondContact O-N 3.05Å; I263-D265 VanDerWaalsContact C-N 3.34Å; I263-D265 PolarHBondContact O-N 2.85Å; I263-P266 HydrophobicContact CB-CG 4.22Å; I263-P266 HydrophobicContact CG2-CB 4.45Å; I263-P266 HydrophobicContact CG2-CG 4.29Å; I263-P266 WeakPolarHBondContact O-CD 3.39Å; I263-F292 HydrophobicContact CD1-CB 3.73Å; I263-F292 HydrophobicContact CD1-CD1 3.41Å; I263-F292 VanDerWaalsContact CD1-CD1 3.41Å; I263-F292 HydrophobicContact CD1-CD2 4.38Å; I263-F292 HydrophobicContact CD1-CE1 4.11Å; I263-F292 HydrophobicContact CD1-CG 3.58Å; I263-F292 HydrophobicContact CG2-CB 4.15Å; I263-F292 HydrophobicContact CG2-CD2 4.21Å; I263-F292 HydrophobicContact CG2-CG 4.2Å; I263-L366 HydrophobicContact CG1-CD2 4.34Å; I263-L366 HydrophobicContact CG2-CD2 4.42Å
264	A	92.6	Very high	94.9	Very high	117 Å²	117	54.3 Å²	54.3	97%	0.967	31%	0.307	S	S	*	.	S	Bend	trans	-58.8	-42.9	-171.3	0	0	0	0	0	113
265	D	95.5	Very high	94.4	Very high	80 Å²	80	55.8 Å²	55.8	43%	0.428	32%	0.316	S	S	.	.			trans	-136.6	92.2	173.7	-173.2	-8.6	0	0	0	109.8	I263 D267 K268	I263-D265 VanDerWaalsContact C-N 3.34Å; I263-D265 PolarHBondContact O-N 2.85Å; D265-D267 PolarHBondContact O-N 3.42Å; D265-D267 PolarHBondContact OD1-N 3.31Å; D265-D267 VanDerWaalsContact OD1-N 3.08Å; D265-K268 HydrophobicContact CB-CB 3.87Å; D265-K268 PolarHBondContact O-N 3.23Å; D265-K268 PolarHBondContact OD1-N 2.73Å
266	P	97	Very high	93.6	Very high	21 Å²	21	52.5 Å²	52.5	14%	0.136	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.2	-179.7	-20.4	32.3	0	0	0	113.8	F258 I263 T291 F292 R293	F258-P266 HydrophobicContact CE1-CB 3.92Å; F258-P266 HydrophobicContact CE1-CG 4.08Å; F258-P266 HydrophobicContact CZ-CB 4.17Å; I263-P266 HydrophobicContact CB-CG 4.22Å; I263-P266 HydrophobicContact CG2-CB 4.45Å; I263-P266 HydrophobicContact CG2-CG 4.29Å; I263-P266 WeakPolarHBondContact O-CD 3.39Å; P266-T291 WeakPolarHBondContact O-CB 3.46Å; P266-F292 HydrophobicContact CB-CB 4.46Å; P266-F292 PolarHBondContact O-N 3.37Å; P266-R293 HydrophobicContact CB-CB 4.44Å; P266-R293 PolarHBondContact O-N 3.47Å
267	D	97.5	Very high	92.6	Very high	79 Å²	79	54.6 Å²	54.6	42%	0.422	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-5.9	-176.2	-68.4	-70.8	0	0	0	112	D265 P269 T291 R293	D265-D267 PolarHBondContact O-N 3.42Å; D265-D267 PolarHBondContact OD1-N 3.31Å; D265-D267 VanDerWaalsContact OD1-N 3.08Å; D267-P269 WeakPolarHBondContact O-CD 3.35Å; D267-T291 VanDerWaalsContact O-CG2 3.3Å; D267-T291 WeakPolarHBondContact O-CG2 3.4Å; D267-R293 VanDerWaalsContact CG-NE 3.26Å; D267-R293 WeakPolarHBondContact OD1-CB 3.13Å; D267-R293 WeakPolarHBondContact OD1-CD 3.07Å; D267-R293 IonicContact OD1-CZ 3.01Å; D267-R293 IonicContact OD1-NE 3.43Å; D267-R293 PolarHBondContact OD1-NE 2.86Å; D267-R293 IonicContact OD2-CZ 3.28Å; D267-R293 IonicContact OD2-NE 2.74Å; D267-R293 PolarHBondContact OD2-NE 3.47Å; D267-R293 IonicContact OD2-NH2 2.7Å; D267-R293 PolarHBondContact OD2-NH2 3.23Å
268	K	97	Very high	91.5	Very high	55 Å²	55	55.7 Å²	55.7	24%	0.239	33%	0.326	C	S	.	.			trans	-61.2	121.8	174.6	-166.7	173.4	-177.8	-178	0	110.9	W177 D179 D265	W177-K268 HydrophobicContact CD2-CD 4.15Å; W177-K268 HydrophobicContact CE3-CB 4.25Å; W177-K268 HydrophobicContact CE3-CD 3.5Å; W177-K268 VanDerWaalsContact CE3-CD 3.5Å; W177-K268 HydrophobicContact CE3-CG 3.62Å; W177-K268 HydrophobicContact CH2-CD 4.42Å; W177-K268 HydrophobicContact CZ3-CB 3.77Å; W177-K268 HydrophobicContact CZ3-CD 3.67Å; W177-K268 HydrophobicContact CZ3-CG 3.67Å; D179-K268 WeakPolarHBondContact OD2-CE 3.34Å; D179-K268 IonicContact OD2-NZ 2.95Å; D265-K268 HydrophobicContact CB-CB 3.87Å; D265-K268 PolarHBondContact O-N 3.23Å; D265-K268 PolarHBondContact OD1-N 2.73Å
269	P	96.2	Very high	90.7	Very high	45 Å²	45	54.5 Å²	54.5	29%	0.292	32%	0.321	S	S	.	.			trans	-78	142.6	-177.8	32.1	-35.3	0	0	0	111.9	V178 D267 P289 L290 T291	V178-P269 HydrophobicContact CB-CG 4.1Å; V178-P269 HydrophobicContact CG2-CB 3.8Å; V178-P269 HydrophobicContact CG2-CG 3.89Å; V178-P269 WeakPolarHBondContact CG2-O 3.39Å; V178-P269 PolarHBondContact N-O 2.79Å; D267-P269 WeakPolarHBondContact O-CD 3.35Å; P269-P289 HydrophobicContact CB-CB 4.07Å; P269-P289 HydrophobicContact CB-CG 4.37Å; P269-L290 CarbonylContact C-O 3.59Å; P269-L290 WeakPolarHBondContact CA-O 3.37Å; P269-T291 HydrophobicContact CB-CG2 4.42Å
270	F	95.1	Very high	89.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	162.6	176.6	64	-90.1	0	0	0	112.5	I175 V176 W177 I272 P289 L290 F292 L295 F370	I175-F270 HydrophobicContact CB-CD2 4.35Å; I175-F270 HydrophobicContact CD1-CD2 4.42Å; I175-F270 HydrophobicContact CD1-CE2 4.16Å; I175-F270 HydrophobicContact CD1-CZ 4.47Å; I175-F270 HydrophobicContact CG1-CD2 3.95Å; I175-F270 HydrophobicContact CG1-CE2 3.95Å; I175-F270 HydrophobicContact CG2-CB 3.74Å; I175-F270 HydrophobicContact CG2-CD2 3.75Å; I175-F270 HydrophobicContact CG2-CE2 4.49Å; I175-F270 HydrophobicContact CG2-CG 3.81Å; V176-F270 WeakPolarHBondContact O-CA 3.24Å; W177-F270 HydrophobicContact CD2-CB 4.28Å; W177-F270 HydrophobicContact CE3-CB 3.67Å; W177-F270 HydrophobicContact CE3-CD1 4.31Å; W177-F270 HydrophobicContact CE3-CG 4.37Å; W177-F270 HydrophobicContact CH2-CD1 4.29Å; W177-F270 HydrophobicContact CZ3-CB 3.98Å; W177-F270 AromaticContact CZ3-CD1 3.72Å; W177-F270 HydrophobicContact CZ3-CD1 3.72Å; W177-F270 HydrophobicContact CZ3-CG 4.19Å; F270-I272 HydrophobicContact CD2-CG2 4.09Å; F270-I272 HydrophobicContact CE2-CG2 3.79Å; F270-P289 CarbonylContact O-C 3.59Å; F270-P289 WeakPolarHBondContact O-CA 3.49Å; F270-L290 WeakPolarHBondContact CD1-O 3.34Å; F270-L290 HydrophobicContact CD2-CB 4.42Å; F270-L290 HydrophobicContact CE1-CB 4.41Å; F270-L290 HydrophobicContact CE2-CB 4Å; F270-L290 HydrophobicContact CE2-CD1 4.36Å; F270-L290 HydrophobicContact CZ-CB 4.02Å; F270-L290 PolarHBondContact N-O 3.26Å; F270-L290 PolarHBondContact O-N 3.43Å; F270-F292 HydrophobicContact CD1-CD2 4.48Å; F270-F292 AromaticContact CE1-CD2 3.51Å; F270-F292 HydrophobicContact CE1-CD2 3.51Å; F270-F292 AromaticContact CE1-CE2 3.67Å; F270-F292 HydrophobicContact CE1-CE2 3.67Å; F270-F292 HydrophobicContact CE1-CG 4.34Å; F270-F292 AromaticContact CZ-CD2 3.94Å; F270-F292 HydrophobicContact CZ-CD2 3.94Å; F270-F292 AromaticContact CZ-CE2 3.73Å; F270-F292 HydrophobicContact CZ-CE2 3.73Å; F270-F292 HydrophobicContact CZ-CZ 4.29Å; F270-L295 HydrophobicContact CZ-CD1 3.7Å; F270-F370 HydrophobicContact CE2-CE2 4.37Å; F270-F370 AromaticContact CE2-CZ 3.83Å; F270-F370 HydrophobicContact CE2-CZ 3.83Å; F270-F370 HydrophobicContact CZ-CZ 4.14Å
271	Y	92.6	Very high	89	Confident	52 Å²	52	50.8 Å²	50.8	20%	0.204	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	158.7	169.8	-61.1	-85	0	0	0	110.1	V176 V178 I181 L190 Q288 P289	V176-Y271 PolarHBondContact N-O 3.33Å; V176-Y271 PolarHBondContact O-N 3.01Å; V178-Y271 HydrophobicContact CG2-CD2 4.11Å; V178-Y271 HydrophobicContact CG2-CE2 3.69Å; I181-Y271 HydrophobicContact CD1-CD2 3.62Å; I181-Y271 HydrophobicContact CD1-CE2 3.62Å; L190-Y271 HydrophobicContact CB-CD1 4.38Å; L190-Y271 HydrophobicContact CD1-CD1 3.65Å; L190-Y271 HydrophobicContact CD1-CD2 3.8Å; L190-Y271 HydrophobicContact CD1-CE1 3.89Å; L190-Y271 HydrophobicContact CD1-CE2 3.97Å; L190-Y271 HydrophobicContact CD1-CG 3.62Å; L190-Y271 HydrophobicContact CD2-CG 4.32Å; L190-Y271 HydrophobicContact CG-CD1 4.48Å; L190-Y271 HydrophobicContact CG-CG 4.47Å; Y271-Q288 VanDerWaalsContact CA-OE1 3.27Å; Y271-Q288 HydrophobicContact CD1-CB 3.82Å; Y271-Q288 VanDerWaalsContact CD1-OE1 3.27Å; Y271-Q288 HydrophobicContact CE1-CB 4.13Å; Y271-P289 HydrophobicContact CE1-CB 4.1Å
272	I	91.2	Very high	88.2	Confident	3 Å²	3	52 Å²	52	2%	0.015	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.4	169.8	60.8	165.7	0	0	0	110.9	Y173 S174 F270 V281 F285 Q288 L290 F370	Y173-I272 HydrophobicContact CD1-CD1 4.01Å; Y173-I272 HydrophobicContact CE1-CD1 4.36Å; Y173-I272 HydrophobicContact CG-CD1 4.16Å; S174-I272 VanDerWaalsContact O-CA 3.32Å; S174-I272 WeakPolarHBondContact O-CA 3.37Å; F270-I272 HydrophobicContact CD2-CG2 4.09Å; F270-I272 HydrophobicContact CE2-CG2 3.79Å; I272-V281 HydrophobicContact CD1-CG1 4.17Å; I272-F285 HydrophobicContact CD1-CB 3.8Å; I272-F285 HydrophobicContact CD1-CD2 4.35Å; I272-F285 HydrophobicContact CD1-CG 4.32Å; I272-Q288 VanDerWaalsContact N-OE1 3.09Å; I272-L290 HydrophobicContact CD1-CD1 4.31Å; I272-L290 HydrophobicContact CG1-CD1 4.22Å; I272-L290 HydrophobicContact CG2-CD1 4.11Å; I272-F370 HydrophobicContact CD1-CE1 4.39Å; I272-F370 HydrophobicContact CG2-CE1 4.09Å; I272-F370 HydrophobicContact CG2-CE2 3.99Å; I272-F370 HydrophobicContact CG2-CZ 3.59Å
273	R	87.8	Confident	87.6	Confident	152 Å²	152	49.3 Å²	49.3	57%	0.574	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	130	172.1	-175.5	-176.8	66.9	-178.7	-2.8	109.3	Y173 S174 N275	Y173-R273 CarbonylContact C-O 3.56Å; Y173-R273 VanDerWaalsContact CA-O 3.28Å; Y173-R273 WeakPolarHBondContact CA-O 3.38Å; S174-R273 PolarHBondContact N-O 3.25Å; S174-R273 PolarHBondContact O-N 2.81Å; R273-N275 PolarHBondContact O-N 3.28Å
274	P	89.2	Confident	87	Confident	31 Å²	31	49 Å²	49	20%	0.201	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	131	169.6	-25.3	35.1	0	0	0	111.7	Y173 C193 I279 V281	Y173-P274 HydrophobicContact CD1-CB 4.45Å; Y173-P274 HydrophobicContact CD1-CG 4.33Å; Y173-P274 HydrophobicContact CE1-CG 4.34Å; C193-P274 HydrophobicContact CB-CG 4.45Å; P274-I279 HydrophobicContact CB-CG2 3.73Å; P274-I279 HydrophobicContact CG-CG2 4.4Å; P274-V281 HydrophobicContact CG-CG2 4.07Å
275	N	88.6	Confident	86.7	Confident	63 Å²	63	43.6 Å²	43.6	34%	0.337	23%	0.233	S	C	.	.	S	Bend	trans	-76.8	-17.6	176.8	-74.5	-16.9	0	0	0	112.8	P171 S172 Y173 S174 R273	P171-N275 PolarHBondContact O-ND2 2.81Å; S172-N275 PolarHBondContact O-N 3.25Å; Y173-N275 PolarHBondContact O-ND2 2.84Å; S174-N275 VanDerWaalsContact CB-OD1 3.29Å; S174-N275 WeakPolarHBondContact CB-OD1 3.37Å; S174-N275 PolarHBondContact N-OD1 2.83Å; S174-N275 VanDerWaalsContact N-OD1 3.09Å; S174-N275 PolarHBondContact OG-OD1 3.44Å; R273-N275 PolarHBondContact O-N 3.28Å
276	V	79.7	Confident	86	Confident	31 Å²	31	40.8 Å²	40.8	19%	0.188	22%	0.219	C	C	.	.	S	Bend	trans	-132.8	139.2	-175.7	-173.9	0	0	0	0	108.6	W24 L28	W24-V276 HydrophobicContact CH2-CB 4.43Å; W24-V276 HydrophobicContact CH2-CG2 4.4Å; W24-V276 HydrophobicContact CZ2-CB 3.89Å; W24-V276 HydrophobicContact CZ2-CG1 3.95Å; W24-V276 HydrophobicContact CZ2-CG2 4.24Å; L28-V276 HydrophobicContact CD1-CB 4.42Å; L28-V276 HydrophobicContact CD1-CG1 3.88Å; L28-V276 HydrophobicContact CD1-CG2 3.9Å; L28-V276 HydrophobicContact CD2-CG1 3.37Å; L28-V276 HydrophobicContact CG-CG1 4.26Å
277	T	74.9	Confident	85.3	Confident	114 Å²	114	43.9 Å²	43.9	70%	0.699	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	144.3	172.7	63	0	0	0	0	110.6
278	G	74.7	Confident	84.7	Confident	22 Å²	22	42.5 Å²	42.5	23%	0.227	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	4.3	173.1	0	0	0	0	0	117	Q35 L36	Q35-G278 WeakPolarHBondContact CA-O 3.09Å; L36-G278 PolarHBondContact N-O 2.9Å
279	I	81.3	Confident	84.5	Confident	22 Å²	22	42.9 Å²	42.9	11%	0.113	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-93.1	136.4	166.2	-166.9	173.9	0	0	0	110.7	W24 P274	W24-I279 HydrophobicContact CH2-CD1 3.93Å; W24-I279 HydrophobicContact CZ2-CB 4.19Å; W24-I279 HydrophobicContact CZ2-CD1 4.37Å; W24-I279 HydrophobicContact CZ3-CD1 4.36Å; P274-I279 HydrophobicContact CB-CG2 3.73Å; P274-I279 HydrophobicContact CG-CG2 4.4Å
280	S	76.1	Confident	84.4	Confident	27 Å²	27	40.8 Å²	40.8	19%	0.189	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-79.1	144.4	170.6	-67.4	0	0	0	0	111.1	Y173 P282	Y173-S280 PolarHBondContact OH-O 3.43Å; S280-P282 WeakPolarHBondContact O-CD 3.45Å
281	V	80.2	Confident	84.5	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.03	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-85.2	122.3	168.8	175.9	0	0	0	0	108.2	Y173 C193 I272 P274 E283 F285	Y173-V281 HydrophobicContact CE1-CG2 3.89Å; C193-V281 HydrophobicContact CB-CB 3.99Å; C193-V281 HydrophobicContact CB-CG2 3.43Å; C193-V281 VanDerWaalsContact CB-CG2 3.43Å; C193-V281 WeakPolarHBondContact O-CB 3.28Å; C193-V281 PolarHBondContact O-N 3.33Å; I272-V281 HydrophobicContact CD1-CG1 4.17Å; P274-V281 HydrophobicContact CG-CG2 4.07Å; V281-E283 PolarHBondContact O-N 3.32Å; V281-F285 HydrophobicContact CG1-CB 3.6Å
282	P	79.1	Confident	84.7	Confident	35 Å²	35	39.7 Å²	39.7	23%	0.227	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-50.9	139.3	170	-28.9	33.3	0	0	0	112.3	Y173 S280 L284 F285 S286	Y173-P282 VanDerWaalsContact OH-CD 3.29Å; Y173-P282 WeakPolarHBondContact OH-CD 3.22Å; S280-P282 WeakPolarHBondContact O-CD 3.45Å; P282-L284 PolarHBondContact O-N 3.23Å; P282-L284 VanDerWaalsContact O-N 3.07Å; P282-F285 HydrophobicContact CB-CD2 3.89Å; P282-F285 HydrophobicContact CB-CE2 4.18Å; P282-F285 HydrophobicContact CB-CG 4.34Å; P282-F285 HydrophobicContact CG-CD2 3.69Å; P282-F285 HydrophobicContact CG-CE2 3.73Å; P282-F285 WeakPolarHBondContact O-CA 3.34Å; P282-F285 WeakPolarHBondContact O-CB 3.27Å; P282-F285 PolarHBondContact O-N 2.79Å; P282-S286 PolarHBondContact O-N 2.74Å
283	E	78.7	Confident	85	Confident	61 Å²	61	44 Å²	44	29%	0.285	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-52.3	-37.3	-176.2	-180	57.8	-167.3	0	0	114.2	V281 F285 S286	V281-E283 PolarHBondContact O-N 3.32Å; E283-F285 VanDerWaalsContact C-N 3.25Å; E283-F285 PolarHBondContact O-N 2.92Å; E283-S286 WeakPolarHBondContact O-CB 3.02Å; E283-S286 PolarHBondContact O-N 3.44Å; E283-S286 PolarHBondContact O-OG 2.97Å
284	L	81.8	Confident	85.4	Confident	13 Å²	13	38.8 Å²	38.8	7%	0.068	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-67.5	-25.9	178.9	-69.6	174.8	0	0	0	113.2	P282 S286 Y294 V299	P282-L284 PolarHBondContact O-N 3.23Å; P282-L284 VanDerWaalsContact O-N 3.07Å; L284-S286 VanDerWaalsContact C-N 3.34Å; L284-Y294 PolarHBondContact O-OH 3.19Å; L284-V299 HydrophobicContact CB-CB 4.42Å; L284-V299 HydrophobicContact CB-CG1 3.63Å; L284-V299 HydrophobicContact CB-CG2 4.09Å; L284-V299 HydrophobicContact CD1-CG1 4.19Å
285	F	85.7	Confident	85.8	Confident	5 Å²	5	37.3 Å²	37.3	2%	0.022	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-82.9	-11.3	172.1	-56.5	-27	0	0	0	112.4	Y173 I272 V281 P282 E283 R287 Q288 L290 L295 V299 F300 F370 T375	Y173-F285 HydrophobicContact CE2-CD2 4.46Å; Y173-F285 HydrophobicContact CE2-CE2 4.37Å; I272-F285 HydrophobicContact CD1-CB 3.8Å; I272-F285 HydrophobicContact CD1-CD2 4.35Å; I272-F285 HydrophobicContact CD1-CG 4.32Å; V281-F285 HydrophobicContact CG1-CB 3.6Å; P282-F285 HydrophobicContact CB-CD2 3.89Å; P282-F285 HydrophobicContact CB-CE2 4.18Å; P282-F285 HydrophobicContact CB-CG 4.34Å; P282-F285 HydrophobicContact CG-CD2 3.69Å; P282-F285 HydrophobicContact CG-CE2 3.73Å; P282-F285 WeakPolarHBondContact O-CA 3.34Å; P282-F285 WeakPolarHBondContact O-CB 3.27Å; P282-F285 PolarHBondContact O-N 2.79Å; E283-F285 VanDerWaalsContact C-N 3.25Å; E283-F285 PolarHBondContact O-N 2.92Å; F285-R287 VanDerWaalsContact C-N 3.26Å; F285-R287 PolarHBondContact O-N 3.01Å; F285-Q288 VanDerWaalsContact O-CG 3.24Å; F285-Q288 WeakPolarHBondContact O-CG 3.34Å; F285-Q288 PolarHBondContact O-NE2 3.19Å; F285-L290 HydrophobicContact CB-CD1 4.47Å; F285-L295 HydrophobicContact CD1-CD2 3.92Å; F285-L295 HydrophobicContact CE1-CD2 3.99Å; F285-V299 HydrophobicContact CD1-CG1 3.6Å; F285-V299 HydrophobicContact CE1-CB 4.47Å; F285-V299 HydrophobicContact CE1-CG1 3.29Å; F285-V299 HydrophobicContact CZ-CG1 4.36Å; F285-F300 HydrophobicContact CE1-CD1 4.49Å; F285-F300 AromaticContact CE1-CE1 3.99Å; F285-F300 HydrophobicContact CE1-CE1 3.99Å; F285-F300 HydrophobicContact CZ-CE1 4.12Å; F285-F370 HydrophobicContact CD1-CD1 4.24Å; F285-F370 HydrophobicContact CD1-CE1 4.18Å; F285-F370 HydrophobicContact CD2-CD1 4.08Å; F285-F370 AromaticContact CE1-CD1 3.9Å; F285-F370 HydrophobicContact CE1-CD1 3.9Å; F285-F370 HydrophobicContact CE1-CE1 4.15Å; F285-F370 AromaticContact CE2-CD1 3.78Å; F285-F370 HydrophobicContact CE2-CD1 3.78Å; F285-F370 HydrophobicContact CG-CD1 4.36Å; F285-F370 HydrophobicContact CG-CE1 4.43Å; F285-F370 AromaticContact CZ-CD1 3.71Å; F285-F370 HydrophobicContact CZ-CD1 3.71Å; F285-F370 HydrophobicContact CZ-CE1 4.41Å; F285-T375 HydrophobicContact CE1-CG2 4.04Å; F285-T375 HydrophobicContact CE2-CG2 4.49Å; F285-T375 HydrophobicContact CZ-CG2 3.81Å
286	S	81	Confident	86.3	Confident	20 Å²	20	34.3 Å²	34.3	14%	0.14	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-72.3	-16.6	176.7	-56.8	0	0	0	0	113.2	P282 E283 L284 Q288	P282-S286 PolarHBondContact O-N 2.74Å; E283-S286 WeakPolarHBondContact O-CB 3.02Å; E283-S286 PolarHBondContact O-N 3.44Å; E283-S286 PolarHBondContact O-OG 2.97Å; L284-S286 VanDerWaalsContact C-N 3.34Å; S286-Q288 PolarHBondContact O-N 2.8Å
287	R	84.1	Confident	87.2	Confident	87 Å²	87	33.6 Å²	33.6	33%	0.328	18%	0.18	S	C	.	.	S	Bend	trans	-77.9	65.7	179	-57.9	-166.8	-169.5	173	-5.2	111.6	F285 L290 Y294 E428	F285-R287 VanDerWaalsContact C-N 3.26Å; F285-R287 PolarHBondContact O-N 3.01Å; R287-L290 WeakPolarHBondContact O-CD2 3.46Å; R287-Y294 HydrophobicContact CB-CE1 4.48Å; R287-Y294 WeakPolarHBondContact CD-OH 3.42Å; R287-E428 IonicContact CZ-OE1 2.87Å; R287-E428 IonicContact CZ-OE2 3.33Å; R287-E428 IonicContact NH1-OE2 3.98Å; R287-E428 PolarHBondContact NH1-OE2 3.08Å; R287-E428 IonicContact NH2-OE1 2.87Å; R287-E428 PolarHBondContact NH2-OE1 3.28Å; R287-E428 IonicContact NH2-OE2 3.94Å; R287-E428 PolarHBondContact NH2-OE2 3.44Å
288	Q	84.2	Confident	88.1	Confident	49 Å²	49	29.2 Å²	29.2	23%	0.229	15%	0.153	C	C	.	.	S	Bend	trans	-93.4	150.1	-175.3	-54.9	-162.5	26.5	0	0	112.8	Y271 I272 F285 S286 L290	Y271-Q288 VanDerWaalsContact CA-OE1 3.27Å; Y271-Q288 HydrophobicContact CD1-CB 3.82Å; Y271-Q288 VanDerWaalsContact CD1-OE1 3.27Å; Y271-Q288 HydrophobicContact CE1-CB 4.13Å; I272-Q288 VanDerWaalsContact N-OE1 3.09Å; F285-Q288 VanDerWaalsContact O-CG 3.24Å; F285-Q288 WeakPolarHBondContact O-CG 3.34Å; F285-Q288 PolarHBondContact O-NE2 3.19Å; S286-Q288 PolarHBondContact O-N 2.8Å; Q288-L290 HydrophobicContact CG-CD1 4.46Å; Q288-L290 HydrophobicContact CG-CG 4.18Å
289	P	92.7	Very high	89.2	Confident	64 Å²	64	28.2 Å²	28.2	42%	0.416	14%	0.142	S	C	.	.	S	Bend	cis	-68.6	147	0.1	30.7	-35.7	0	0	0	112.3	V178 P269 F270 Y271	V178-P289 HydrophobicContact CG2-CB 4.24Å; P269-P289 HydrophobicContact CB-CB 4.07Å; P269-P289 HydrophobicContact CB-CG 4.37Å; F270-P289 CarbonylContact O-C 3.59Å; F270-P289 WeakPolarHBondContact O-CA 3.49Å; Y271-P289 HydrophobicContact CE1-CB 4.1Å
290	L	94.3	Very high	89.9	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-91.8	157.7	176.7	-62.5	168.4	0	0	0	109.9	P269 F270 I272 F285 R287 Q288 Y294 L295 F370	P269-L290 CarbonylContact C-O 3.59Å; P269-L290 WeakPolarHBondContact CA-O 3.37Å; F270-L290 WeakPolarHBondContact CD1-O 3.34Å; F270-L290 HydrophobicContact CD2-CB 4.42Å; F270-L290 HydrophobicContact CE1-CB 4.41Å; F270-L290 HydrophobicContact CE2-CB 4Å; F270-L290 HydrophobicContact CE2-CD1 4.36Å; F270-L290 HydrophobicContact CZ-CB 4.02Å; F270-L290 PolarHBondContact N-O 3.26Å; F270-L290 PolarHBondContact O-N 3.43Å; I272-L290 HydrophobicContact CD1-CD1 4.31Å; I272-L290 HydrophobicContact CG1-CD1 4.22Å; I272-L290 HydrophobicContact CG2-CD1 4.11Å; F285-L290 HydrophobicContact CB-CD1 4.47Å; R287-L290 WeakPolarHBondContact O-CD2 3.46Å; Q288-L290 HydrophobicContact CG-CD1 4.46Å; Q288-L290 HydrophobicContact CG-CG 4.18Å; L290-Y294 HydrophobicContact CD2-CD1 3.78Å; L290-Y294 HydrophobicContact CD2-CE1 3.68Å; L290-L295 HydrophobicContact CD1-CD2 4.33Å; L290-L295 HydrophobicContact CD2-CD2 4.29Å; L290-F370 HydrophobicContact CD1-CE1 4.33Å
291	T	96.7	Very high	90.9	Very high	29 Å²	29	27.4 Å²	27.4	18%	0.178	14%	0.136	C	C	.	.			trans	-128.9	154.5	163.7	67.1	0	0	0	0	108.5	P266 D267 P269 R293 Y294 L295	P266-T291 WeakPolarHBondContact O-CB 3.46Å; D267-T291 VanDerWaalsContact O-CG2 3.3Å; D267-T291 WeakPolarHBondContact O-CG2 3.4Å; P269-T291 HydrophobicContact CB-CG2 4.42Å; T291-R293 PolarHBondContact O-N 3.1Å; T291-Y294 PolarHBondContact O-N 2.91Å; T291-Y294 WeakPolarHBondContact OG1-CB 3.43Å; T291-Y294 PolarHBondContact OG1-N 3.47Å; T291-Y294 VanDerWaalsContact OG1-N 3.08Å; T291-L295 WeakPolarHBondContact O-CG 3.14Å; T291-L295 PolarHBondContact O-N 3.4Å
292	F	97	Very high	91.7	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-64.8	-31.4	175.1	-91	-80.4	0	0	0	111.8	I175 I263 P266 F270 L295 V296 L366 W369	I175-F292 HydrophobicContact CD1-CE2 4Å; I175-F292 HydrophobicContact CD1-CZ 4.1Å; I263-F292 HydrophobicContact CD1-CB 3.73Å; I263-F292 HydrophobicContact CD1-CD1 3.41Å; I263-F292 VanDerWaalsContact CD1-CD1 3.41Å; I263-F292 HydrophobicContact CD1-CD2 4.38Å; I263-F292 HydrophobicContact CD1-CE1 4.11Å; I263-F292 HydrophobicContact CD1-CG 3.58Å; I263-F292 HydrophobicContact CG2-CB 4.15Å; I263-F292 HydrophobicContact CG2-CD2 4.21Å; I263-F292 HydrophobicContact CG2-CG 4.2Å; P266-F292 HydrophobicContact CB-CB 4.46Å; P266-F292 PolarHBondContact O-N 3.37Å; F270-F292 HydrophobicContact CD1-CD2 4.48Å; F270-F292 AromaticContact CE1-CD2 3.51Å; F270-F292 HydrophobicContact CE1-CD2 3.51Å; F270-F292 AromaticContact CE1-CE2 3.67Å; F270-F292 HydrophobicContact CE1-CE2 3.67Å; F270-F292 HydrophobicContact CE1-CG 4.34Å; F270-F292 AromaticContact CZ-CD2 3.94Å; F270-F292 HydrophobicContact CZ-CD2 3.94Å; F270-F292 AromaticContact CZ-CE2 3.73Å; F270-F292 HydrophobicContact CZ-CE2 3.73Å; F270-F292 HydrophobicContact CZ-CZ 4.29Å; F292-L295 HydrophobicContact CD1-CD1 4.24Å; F292-L295 HydrophobicContact CE1-CD1 4.34Å; F292-L295 PolarHBondContact O-N 2.84Å; F292-V296 WeakPolarHBondContact O-CB 3.46Å; F292-V296 WeakPolarHBondContact O-CG2 3.49Å; F292-V296 PolarHBondContact O-N 2.8Å; F292-L366 HydrophobicContact CD2-CD2 4.39Å; F292-L366 HydrophobicContact CE1-CD2 4.24Å; F292-L366 HydrophobicContact CE2-CB 3.91Å; F292-L366 HydrophobicContact CE2-CD1 3.96Å; F292-L366 HydrophobicContact CE2-CD2 3.76Å; F292-L366 HydrophobicContact CE2-CG 4.08Å; F292-L366 HydrophobicContact CZ-CB 3.68Å; F292-L366 HydrophobicContact CZ-CD2 3.67Å; F292-L366 HydrophobicContact CZ-CG 4.13Å; F292-W369 HydrophobicContact CE1-CB 4.37Å; F292-W369 HydrophobicContact CE1-CG 4.41Å
293	R	97.6	Very high	92.5	Very high	93 Å²	93	27.4 Å²	27.4	35%	0.351	13%	0.133	S	C	.	.	H	α-helix	trans	-56.5	-51.6	170.6	-177.7	161.7	-49.5	-55.6	-7	111.6	P266 D267 T291 V296 S297	P266-R293 HydrophobicContact CB-CB 4.44Å; P266-R293 PolarHBondContact O-N 3.47Å; D267-R293 VanDerWaalsContact CG-NE 3.26Å; D267-R293 WeakPolarHBondContact OD1-CB 3.13Å; D267-R293 WeakPolarHBondContact OD1-CD 3.07Å; D267-R293 IonicContact OD1-CZ 3.01Å; D267-R293 IonicContact OD1-NE 3.43Å; D267-R293 PolarHBondContact OD1-NE 2.86Å; D267-R293 IonicContact OD2-CZ 3.28Å; D267-R293 IonicContact OD2-NE 2.74Å; D267-R293 PolarHBondContact OD2-NE 3.47Å; D267-R293 IonicContact OD2-NH2 2.7Å; D267-R293 PolarHBondContact OD2-NH2 3.23Å; T291-R293 PolarHBondContact O-N 3.1Å; R293-V296 PolarHBondContact O-N 3.23Å; R293-S297 WeakPolarHBondContact O-CB 3.41Å; R293-S297 PolarHBondContact O-N 2.89Å; R293-S297 PolarHBondContact O-OG 3.12Å
294	Y	96.9	Very high	93.3	Very high	42 Å²	42	26 Å²	26	17%	0.165	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-43	177.9	169.1	-104.2	0	0	0	112	L284 R287 L290 T291 V296 S297 D298 V299	L284-Y294 PolarHBondContact O-OH 3.19Å; R287-Y294 HydrophobicContact CB-CE1 4.48Å; R287-Y294 WeakPolarHBondContact CD-OH 3.42Å; L290-Y294 HydrophobicContact CD2-CD1 3.78Å; L290-Y294 HydrophobicContact CD2-CE1 3.68Å; T291-Y294 PolarHBondContact O-N 2.91Å; T291-Y294 WeakPolarHBondContact OG1-CB 3.43Å; T291-Y294 PolarHBondContact OG1-N 3.47Å; T291-Y294 VanDerWaalsContact OG1-N 3.08Å; Y294-V296 VanDerWaalsContact C-N 3.33Å; Y294-V296 PolarHBondContact O-N 3.36Å; Y294-S297 WeakPolarHBondContact CA-OG 3.3Å; Y294-S297 PolarHBondContact O-N 2.94Å; Y294-S297 PolarHBondContact O-OG 3.36Å; Y294-D298 HydrophobicContact CD2-CB 3.76Å; Y294-D298 HydrophobicContact CE2-CB 3.43Å; Y294-D298 VanDerWaalsContact CE2-CB 3.43Å; Y294-D298 WeakPolarHBondContact O-CB 3.34Å; Y294-D298 PolarHBondContact O-N 2.81Å; Y294-V299 HydrophobicContact CD1-CG2 3.99Å; Y294-V299 HydrophobicContact CE1-CG2 3.35Å; Y294-V299 HydrophobicContact CE2-CG2 4.42Å
295	L	97.6	Very high	93.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	I	π-helix	trans	-59.5	-45.6	177.3	-70.8	173	0	0	0	111.4	F270 F285 L290 T291 F292 V299 F300 F370	F270-L295 HydrophobicContact CZ-CD1 3.7Å; F285-L295 HydrophobicContact CD1-CD2 3.92Å; F285-L295 HydrophobicContact CE1-CD2 3.99Å; L290-L295 HydrophobicContact CD1-CD2 4.33Å; L290-L295 HydrophobicContact CD2-CD2 4.29Å; T291-L295 WeakPolarHBondContact O-CG 3.14Å; T291-L295 PolarHBondContact O-N 3.4Å; F292-L295 HydrophobicContact CD1-CD1 4.24Å; F292-L295 HydrophobicContact CE1-CD1 4.34Å; F292-L295 PolarHBondContact O-N 2.84Å; L295-V299 HydrophobicContact CD2-CB 4Å; L295-V299 HydrophobicContact CD2-CG1 4.22Å; L295-V299 HydrophobicContact CD2-CG2 4.08Å; L295-V299 CarbonylContact O-C 3.54Å; L295-V299 WeakPolarHBondContact O-CA 3.22Å; L295-V299 PolarHBondContact O-N 2.86Å; L295-V299 VanDerWaalsContact O-N 3.08Å; L295-F300 HydrophobicContact CB-CD2 3.84Å; L295-F300 HydrophobicContact CB-CE2 3.57Å; L295-F300 HydrophobicContact CB-CZ 4.03Å; L295-F300 HydrophobicContact CD1-CE2 4.1Å; L295-F300 HydrophobicContact CD1-CZ 3.97Å; L295-F300 HydrophobicContact CD2-CZ 4.31Å; L295-F300 HydrophobicContact CG-CE2 4.33Å; L295-F300 HydrophobicContact CG-CZ 4.34Å; L295-F300 PolarHBondContact O-N 3.49Å; L295-F370 HydrophobicContact CD1-CE1 3.86Å; L295-F370 HydrophobicContact CD1-CZ 3.66Å; L295-F370 HydrophobicContact CD2-CE1 4.11Å
296	V	98.1	Very high	94.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-71.1	-32.7	179.6	174.1	0	0	0	0	112.1	N249 Q254 F257 F258 F292 R293 Y294 F300 L302	N249-V296 PolarHBondContact ND2-O 3.39Å; Q254-V296 HydrophobicContact CB-CG1 4.12Å; Q254-V296 HydrophobicContact CG-CG1 4.17Å; F257-V296 HydrophobicContact CB-CG1 4.32Å; F257-V296 HydrophobicContact CD1-CB 4.41Å; F257-V296 HydrophobicContact CD1-CG1 3.83Å; F257-V296 HydrophobicContact CD1-CG2 3.58Å; F257-V296 HydrophobicContact CE1-CG1 4.5Å; F257-V296 HydrophobicContact CE1-CG2 3.4Å; F257-V296 VanDerWaalsContact CE1-CG2 3.4Å; F257-V296 HydrophobicContact CG-CG1 4.21Å; F257-V296 HydrophobicContact CG-CG2 4.43Å; F257-V296 HydrophobicContact CZ-CG2 4.13Å; F258-V296 HydrophobicContact CD2-CG1 4.28Å; F258-V296 HydrophobicContact CE1-CG2 4.22Å; F258-V296 HydrophobicContact CE2-CB 4.01Å; F258-V296 HydrophobicContact CE2-CG1 3.62Å; F258-V296 HydrophobicContact CE2-CG2 4.37Å; F258-V296 HydrophobicContact CZ-CB 3.81Å; F258-V296 HydrophobicContact CZ-CG1 3.9Å; F258-V296 HydrophobicContact CZ-CG2 3.79Å; F292-V296 WeakPolarHBondContact O-CB 3.46Å; F292-V296 WeakPolarHBondContact O-CG2 3.49Å; F292-V296 PolarHBondContact O-N 2.8Å; R293-V296 PolarHBondContact O-N 3.23Å; Y294-V296 VanDerWaalsContact C-N 3.33Å; Y294-V296 PolarHBondContact O-N 3.36Å; V296-F300 HydrophobicContact CG2-CD2 4.41Å; V296-L302 HydrophobicContact CG1-CD1 3.87Å
297	S	97.5	Very high	95	Very high	16 Å²	16	29.6 Å²	29.6	11%	0.112	15%	0.145	C	C	.	.	I	π-helix	trans	-83.1	-40.9	-178.8	62.3	0	0	0	0	113.5	K248 N249 R293 Y294	K248-S297 CarbonylContact C-O 3.6Å; K248-S297 WeakPolarHBondContact CA-O 3.14Å; K248-S297 WeakPolarHBondContact CB-O 3.48Å; N249-S297 PolarHBondContact N-O 2.93Å; R293-S297 WeakPolarHBondContact O-CB 3.41Å; R293-S297 PolarHBondContact O-N 2.89Å; R293-S297 PolarHBondContact O-OG 3.12Å; Y294-S297 WeakPolarHBondContact CA-OG 3.3Å; Y294-S297 PolarHBondContact O-N 2.94Å; Y294-S297 PolarHBondContact O-OG 3.36Å
298	D	95.9	Very high	95.4	Very high	23 Å²	23	26.8 Å²	26.8	12%	0.123	14%	0.135	C	C	.	.	I	π-helix	trans	-119.5	-18.9	-164.4	-70.3	-121.1	0	0	0	113.6	K248 Y294	K248-D298 WeakPolarHBondContact CD-OD1 3.1Å; K248-D298 WeakPolarHBondContact CE-OD1 3.21Å; K248-D298 IonicContact NZ-OD1 2.89Å; K248-D298 PolarHBondContact NZ-OD1 2.9Å; K248-D298 IonicContact NZ-OD2 2.8Å; Y294-D298 HydrophobicContact CD2-CB 3.76Å; Y294-D298 HydrophobicContact CE2-CB 3.43Å; Y294-D298 VanDerWaalsContact CE2-CB 3.43Å; Y294-D298 WeakPolarHBondContact O-CB 3.34Å; Y294-D298 PolarHBondContact O-N 2.81Å
299	V	96	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	I	π-helix	trans	-116.2	-55.2	-168	-171.4	0	0	0	0	114	L284 F285 Y294 L295 T375 I376	L284-V299 HydrophobicContact CB-CB 4.42Å; L284-V299 HydrophobicContact CB-CG1 3.63Å; L284-V299 HydrophobicContact CB-CG2 4.09Å; L284-V299 HydrophobicContact CD1-CG1 4.19Å; F285-V299 HydrophobicContact CD1-CG1 3.6Å; F285-V299 HydrophobicContact CE1-CB 4.47Å; F285-V299 HydrophobicContact CE1-CG1 3.29Å; F285-V299 HydrophobicContact CZ-CG1 4.36Å; Y294-V299 HydrophobicContact CD1-CG2 3.99Å; Y294-V299 HydrophobicContact CE1-CG2 3.35Å; Y294-V299 HydrophobicContact CE2-CG2 4.42Å; L295-V299 HydrophobicContact CD2-CB 4Å; L295-V299 HydrophobicContact CD2-CG1 4.22Å; L295-V299 HydrophobicContact CD2-CG2 4.08Å; L295-V299 CarbonylContact O-C 3.54Å; L295-V299 WeakPolarHBondContact O-CA 3.22Å; L295-V299 PolarHBondContact O-N 2.86Å; L295-V299 VanDerWaalsContact O-N 3.08Å; V299-T375 HydrophobicContact CG1-CG2 3.91Å; V299-T375 CarbonylContact O-C 3.57Å; V299-T375 WeakPolarHBondContact O-CA 3.37Å; V299-I376 PolarHBondContact O-N 3.02Å
300	F	97.4	Very high	95.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-74.4	133	-176.4	-66.5	-35.9	0	0	0	111.5	N249 F285 L295 V296 L302 W369 F370 L373 G374 I376	N249-F300 PolarHBondContact ND2-O 3.02Å; F285-F300 HydrophobicContact CE1-CD1 4.49Å; F285-F300 AromaticContact CE1-CE1 3.99Å; F285-F300 HydrophobicContact CE1-CE1 3.99Å; F285-F300 HydrophobicContact CZ-CE1 4.12Å; L295-F300 HydrophobicContact CB-CD2 3.84Å; L295-F300 HydrophobicContact CB-CE2 3.57Å; L295-F300 HydrophobicContact CB-CZ 4.03Å; L295-F300 HydrophobicContact CD1-CE2 4.1Å; L295-F300 HydrophobicContact CD1-CZ 3.97Å; L295-F300 HydrophobicContact CD2-CZ 4.31Å; L295-F300 HydrophobicContact CG-CE2 4.33Å; L295-F300 HydrophobicContact CG-CZ 4.34Å; L295-F300 PolarHBondContact O-N 3.49Å; V296-F300 HydrophobicContact CG2-CD2 4.41Å; F300-L302 HydrophobicContact CB-CD2 4.3Å; F300-L302 PolarHBondContact O-N 2.96Å; F300-L302 VanDerWaalsContact O-N 3.16Å; F300-W369 HydrophobicContact CE2-CB 4.18Å; F300-W369 HydrophobicContact CZ-CB 4.04Å; F300-F370 HydrophobicContact CE1-CD1 4.48Å; F300-F370 HydrophobicContact CZ-CD1 4.46Å; F300-L373 HydrophobicContact CB-CB 4Å; F300-L373 HydrophobicContact CB-CD1 3.84Å; F300-L373 HydrophobicContact CD1-CB 3.6Å; F300-L373 HydrophobicContact CD1-CD1 4.27Å; F300-L373 HydrophobicContact CD2-CB 4.43Å; F300-L373 HydrophobicContact CD2-CD1 3.55Å; F300-L373 HydrophobicContact CE1-CB 4.13Å; F300-L373 HydrophobicContact CE2-CD1 4.09Å; F300-L373 HydrophobicContact CG-CB 3.78Å; F300-L373 HydrophobicContact CG-CD1 3.65Å; F300-L373 HydrophobicContact CG-CG 4.37Å; F300-G374 CarbonylContact C-O 3.52Å; F300-G374 WeakPolarHBondContact CA-O 3.36Å; F300-I376 WeakPolarHBondContact O-CG1 3.18Å
301	D	96.7	Very high	96.1	Very high	33 Å²	33	23.1 Å²	23.1	18%	0.176	11%	0.112	C	C	.	.			trans	-82.1	94.6	174.4	-169.4	-14.6	0	0	0	110.5	Q303 A304 V350 G374 I376	D301-Q303 PolarHBondContact O-N 3.41Å; D301-Q303 PolarHBondContact OD1-N 3.32Å; D301-A304 HydrophobicContact CB-CB 4.03Å; D301-A304 PolarHBondContact O-N 3.23Å; D301-A304 PolarHBondContact OD1-N 3.5Å; D301-V350 WeakPolarHBondContact O-CG1 3.26Å; D301-G374 PolarHBondContact N-O 2.9Å; D301-I376 HydrophobicContact CB-CG1 4.22Å
302	L	97.6	Very high	96	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-12.7	-179	-59.7	-178.9	0	0	0	113.4	N249 Q254 F257 V296 F300 V350 V351 L373	N249-L302 HydrophobicContact CB-CD1 4.02Å; N249-L302 WeakPolarHBondContact ND2-CG 3.31Å; Q254-L302 HydrophobicContact CG-CD1 4.45Å; F257-L302 HydrophobicContact CB-CD1 4.15Å; F257-L302 HydrophobicContact CB-CD2 4.31Å; F257-L302 HydrophobicContact CD2-CD2 3.66Å; F257-L302 HydrophobicContact CE2-CD2 4.24Å; F257-L302 HydrophobicContact CG-CD2 4.08Å; V296-L302 HydrophobicContact CG1-CD1 3.87Å; F300-L302 HydrophobicContact CB-CD2 4.3Å; F300-L302 PolarHBondContact O-N 2.96Å; F300-L302 VanDerWaalsContact O-N 3.16Å; L302-V350 WeakPolarHBondContact O-CG1 3.49Å; L302-V351 HydrophobicContact CB-CG2 3.76Å; L302-V351 HydrophobicContact CD2-CG2 4.11Å; L302-V351 HydrophobicContact CG-CG2 4.37Å; L302-V351 WeakPolarHBondContact O-CG2 3.3Å; L302-L373 HydrophobicContact CD2-CD1 4.44Å
303	Q	95.5	Very high	95.9	Very high	38 Å²	38	23.4 Å²	23.4	18%	0.178	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-0.3	-178.5	-62.4	-177.3	4.9	0	0	112.4	S253 D301 T349 L411	S253-Q303 PolarHBondContact OG-NE2 3.48Å; D301-Q303 PolarHBondContact O-N 3.41Å; D301-Q303 PolarHBondContact OD1-N 3.32Å; Q303-T349 HydrophobicContact CB-CG2 4.41Å; Q303-L411 PolarHBondContact OE1-O 2.81Å
304	A	95.1	Very high	95.9	Very high	30 Å²	30	19 Å²	19	25%	0.248	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-59	142.8	173.9	0	0	0	0	0	111.1	D301 P306 T349 V350	D301-A304 HydrophobicContact CB-CB 4.03Å; D301-A304 PolarHBondContact O-N 3.23Å; D301-A304 PolarHBondContact OD1-N 3.5Å; A304-P306 WeakPolarHBondContact O-CD 3.12Å; A304-T349 CarbonylContact O-C 3.57Å; A304-T349 WeakPolarHBondContact O-CA 3.48Å; A304-V350 PolarHBondContact O-N 3.44Å
305	V	95.4	Very high	95.9	Very high	34 Å²	34	17.2 Å²	17.2	21%	0.206	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-78	121.5	168	179.7	0	0	0	0	107.5	C343 R348	V305-C343 HydrophobicContact CG1-CB 3.86Å; V305-R348 WeakPolarHBondContact CA-O 3.35Å
306	P	95.8	Very high	95.9	Very high	9 Å²	9	21.3 Å²	21.3	6%	0.058	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-58.8	143.9	179.7	-27.9	38.3	0	0	0	112.3	A304 F310 F311 R348 V350 T353	A304-P306 WeakPolarHBondContact O-CD 3.12Å; P306-F310 HydrophobicContact CB-CB 4.18Å; P306-F310 HydrophobicContact CB-CD1 3.67Å; P306-F310 HydrophobicContact CB-CE1 4.22Å; P306-F310 HydrophobicContact CB-CG 3.93Å; P306-F310 HydrophobicContact CG-CD1 4.34Å; P306-F310 HydrophobicContact CG-CE1 4.44Å; P306-F311 HydrophobicContact CB-CE2 3.62Å; P306-F311 HydrophobicContact CB-CZ 3.78Å; P306-R348 WeakPolarHBondContact CD-O 3.37Å; P306-V350 HydrophobicContact CG-CB 3.89Å; P306-V350 HydrophobicContact CG-CG2 4.16Å; P306-T353 HydrophobicContact CG-CG2 4.33Å
307	R	92.5	Very high	95.8	Very high	72 Å²	72	23 Å²	23	27%	0.272	12%	0.116	S	C	.	.			trans	-112.5	171.2	177.6	-63.4	172.1	-62.9	125.4	12.1	108.9	G14 N15 D18 L309 F310 F311	G14-R307 VanDerWaalsContact CA-NH1 3.33Å; G14-R307 PolarHBondContact O-NH1 3.44Å; N15-R307 WeakPolarHBondContact OD1-CD 3.44Å; D18-R307 VanDerWaalsContact CG-CZ 3.45Å; D18-R307 IonicContact OD1-CZ 3.41Å; D18-R307 IonicContact OD1-NH1 2.71Å; D18-R307 PolarHBondContact OD1-NH1 3.06Å; D18-R307 IonicContact OD1-NH2 3.9Å; D18-R307 PolarHBondContact OD1-NH2 3.45Å; D18-R307 IonicContact OD2-CZ 3.32Å; D18-R307 IonicContact OD2-NE 2.68Å; D18-R307 IonicContact OD2-NH1 3.11Å; D18-R307 PolarHBondContact OD2-NH1 2.85Å; D18-R307 IonicContact OD2-NH2 2.66Å; D18-R307 PolarHBondContact OD2-NH2 3.23Å; R307-L309 VanDerWaalsContact C-N 3.28Å; R307-L309 PolarHBondContact O-N 2.87Å; R307-L309 VanDerWaalsContact O-N 3.14Å; R307-F310 VanDerWaalsContact O-CB 3.24Å; R307-F310 WeakPolarHBondContact O-CB 3.44Å; R307-F310 PolarHBondContact O-N 3.06Å; R307-F311 WeakPolarHBondContact O-CD2 3.45Å
308	R	92.2	Very high	95.8	Very high	28 Å²	28	22.7 Å²	22.7	11%	0.106	12%	0.115	C	C	.	.	H	α-helix	trans	-49.1	-44.5	-176.1	-63.8	170.2	59.8	120.6	6.7	114.4	D138 F310 F311 D312 S331 S332 P333 L339	D138-R308 IonicContact OD2-CZ 2.76Å; D138-R308 IonicContact OD2-NE 2.78Å; D138-R308 PolarHBondContact OD2-NE 3.38Å; D138-R308 IonicContact OD2-NH1 3.86Å; D138-R308 PolarHBondContact OD2-NH1 3.45Å; D138-R308 IonicContact OD2-NH2 3.79Å; R308-F310 PolarHBondContact O-N 3.27Å; R308-F311 PolarHBondContact O-N 3.41Å; R308-D312 PolarHBondContact O-N 3.35Å; R308-S331 VanDerWaalsContact CZ-O 3.24Å; R308-S331 PolarHBondContact NE-O 3.02Å; R308-S331 PolarHBondContact NH2-O 3.06Å; R308-S332 VanDerWaalsContact CZ-C 3.41Å; R308-S332 VanDerWaalsContact CZ-O 3.3Å; R308-S332 PolarHBondContact NH1-O 2.97Å; R308-S332 PolarHBondContact NH2-O 3.29Å; R308-P333 VanDerWaalsContact NH1-CA 3.26Å; R308-L339 HydrophobicContact CG-CD2 3.46Å; R308-L339 VanDerWaalsContact CG-CD2 3.46Å
309	L	92.8	Very high	95.8	Very high	25 Å²	25	28.3 Å²	28.3	13%	0.131	14%	0.141	C	C	.	.	H	α-helix	trans	-58.7	-32.2	179.8	-177.3	61.7	0	0	0	112.8	D18 T21 R307 I313	D18-L309 HydrophobicContact CB-CB 4.14Å; D18-L309 HydrophobicContact CB-CD2 4Å; D18-L309 VanDerWaalsContact OD2-CB 3.27Å; D18-L309 WeakPolarHBondContact OD2-CB 3.5Å; T21-L309 HydrophobicContact CG2-CD2 4.25Å; R307-L309 VanDerWaalsContact C-N 3.28Å; R307-L309 PolarHBondContact O-N 2.87Å; R307-L309 VanDerWaalsContact O-N 3.14Å; L309-I313 HydrophobicContact CD1-CD1 3.91Å; L309-I313 HydrophobicContact CD1-CG1 4.09Å; L309-I313 HydrophobicContact CD2-CD1 4.46Å; L309-I313 HydrophobicContact CG-CD1 3.77Å; L309-I313 HydrophobicContact CG-CG1 4.39Å; L309-I313 WeakPolarHBondContact O-CB 3.35Å; L309-I313 WeakPolarHBondContact O-CD1 3.45Å; L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 2.7Å
310	F	96.4	Very high	95.8	Very high	10 Å²	10	31.9 Å²	31.9	4%	0.044	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-46.5	174.9	170.2	-88.1	0	0	0	111.2	P306 R307 R308 L314 V350 T353 L354 L372	P306-F310 HydrophobicContact CB-CB 4.18Å; P306-F310 HydrophobicContact CB-CD1 3.67Å; P306-F310 HydrophobicContact CB-CE1 4.22Å; P306-F310 HydrophobicContact CB-CG 3.93Å; P306-F310 HydrophobicContact CG-CD1 4.34Å; P306-F310 HydrophobicContact CG-CE1 4.44Å; R307-F310 VanDerWaalsContact O-CB 3.24Å; R307-F310 WeakPolarHBondContact O-CB 3.44Å; R307-F310 PolarHBondContact O-N 3.06Å; R308-F310 PolarHBondContact O-N 3.27Å; F310-L314 HydrophobicContact CE1-CD2 3.8Å; F310-L314 HydrophobicContact CZ-CD2 3.95Å; F310-L314 VanDerWaalsContact O-CB 3.26Å; F310-L314 WeakPolarHBondContact O-CB 3.38Å; F310-L314 PolarHBondContact O-N 2.97Å; F310-V350 HydrophobicContact CD2-CG2 3.94Å; F310-V350 HydrophobicContact CE2-CG2 3.33Å; F310-V350 HydrophobicContact CZ-CG2 3.74Å; F310-T353 HydrophobicContact CE1-CG2 3.67Å; F310-T353 HydrophobicContact CZ-CG2 4.31Å; F310-L354 HydrophobicContact CE2-CD2 4.1Å; F310-L354 HydrophobicContact CZ-CD2 3.73Å; F310-L354 HydrophobicContact CZ-CG 4.33Å; F310-L372 HydrophobicContact CD2-CB 4.2Å; F310-L372 HydrophobicContact CD2-CD2 3.76Å; F310-L372 WeakPolarHBondContact CD2-O 3.36Å; F310-L372 HydrophobicContact CE2-CB 4.32Å; F310-L372 HydrophobicContact CE2-CD2 3.95Å; F310-L372 HydrophobicContact CG-CD2 4.36Å; F310-L372 WeakPolarHBondContact O-CD2 3.34Å
311	F	97.1	Very high	95.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.2	-39.9	-179.9	-64.4	-77.5	0	0	0	112.1	P306 R307 R308 L314 S315 L327 L330 L339 Y342 C343 T353 F357	P306-F311 HydrophobicContact CB-CE2 3.62Å; P306-F311 HydrophobicContact CB-CZ 3.78Å; R307-F311 WeakPolarHBondContact O-CD2 3.45Å; R308-F311 PolarHBondContact O-N 3.41Å; F311-L314 PolarHBondContact O-N 3.27Å; F311-S315 WeakPolarHBondContact O-CB 3.39Å; F311-S315 PolarHBondContact O-N 2.78Å; F311-L327 HydrophobicContact CD1-CD2 3.78Å; F311-L330 HydrophobicContact CB-CB 4.13Å; F311-L330 HydrophobicContact CD1-CB 3.82Å; F311-L330 HydrophobicContact CD1-CD1 3.74Å; F311-L330 HydrophobicContact CD1-CG 4.45Å; F311-L330 HydrophobicContact CD2-CB 4.17Å; F311-L330 HydrophobicContact CE1-CB 4.31Å; F311-L330 HydrophobicContact CE1-CD1 3.6Å; F311-L330 HydrophobicContact CG-CB 3.76Å; F311-L330 HydrophobicContact CG-CD1 4.5Å; F311-L330 HydrophobicContact CZ-CD1 4.27Å; F311-L339 HydrophobicContact CD2-CD1 3.84Å; F311-L339 HydrophobicContact CE2-CD1 3.32Å; F311-L339 HydrophobicContact CZ-CD1 4.08Å; F311-Y342 HydrophobicContact CE1-CD1 4.39Å; F311-Y342 AromaticContact CE1-CE1 3.98Å; F311-Y342 HydrophobicContact CE1-CE1 3.98Å; F311-Y342 HydrophobicContact CZ-CD1 4.19Å; F311-Y342 HydrophobicContact CZ-CE1 4.03Å; F311-C343 VanDerWaalsContact CZ-SG 3.56Å; F311-T353 HydrophobicContact CE1-CG2 3.65Å; F311-T353 HydrophobicContact CZ-CG2 3.88Å; F311-F357 HydrophobicContact CE1-CE2 4.17Å
312	D	95.1	Very high	95.7	Very high	36 Å²	36	43.5 Å²	43.5	19%	0.193	22%	0.215	C	C	.	.	H	α-helix	trans	-55.1	-56.1	173.6	-177.9	53	0	0	0	110.7	R308 L314 S315 H316	R308-D312 PolarHBondContact O-N 3.35Å; D312-L314 PolarHBondContact O-N 2.87Å; D312-S315 WeakPolarHBondContact O-CB 3.47Å; D312-S315 PolarHBondContact O-N 3.09Å; D312-S315 PolarHBondContact O-OG 3.34Å; D312-H316 PolarHBondContact O-CD2 2.66Å
313	I	95.9	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-45.7	179	-65.6	164.8	0	0	0	111.2	Y169 L309 S315 H316 F317 D371 L372	Y169-I313 HydrophobicContact CD2-CB 4.32Å; Y169-I313 HydrophobicContact CD2-CG1 3.8Å; Y169-I313 HydrophobicContact CD2-CG2 3.91Å; Y169-I313 HydrophobicContact CE1-CG2 4.24Å; Y169-I313 HydrophobicContact CE2-CB 4.24Å; Y169-I313 HydrophobicContact CE2-CD1 4.18Å; Y169-I313 HydrophobicContact CE2-CG1 3.82Å; Y169-I313 HydrophobicContact CE2-CG2 3.48Å; Y169-I313 VanDerWaalsContact CE2-CG2 3.48Å; Y169-I313 HydrophobicContact CG-CG2 4.44Å; L309-I313 HydrophobicContact CD1-CD1 3.91Å; L309-I313 HydrophobicContact CD1-CG1 4.09Å; L309-I313 HydrophobicContact CD2-CD1 4.46Å; L309-I313 HydrophobicContact CG-CD1 3.77Å; L309-I313 HydrophobicContact CG-CG1 4.39Å; L309-I313 WeakPolarHBondContact O-CB 3.35Å; L309-I313 WeakPolarHBondContact O-CD1 3.45Å; L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 2.7Å; I313-S315 PolarHBondContact O-N 3.02Å; I313-H316 PolarHBondContact O-N 3.22Å; I313-F317 HydrophobicContact CG2-CE2 4.08Å; I313-F317 WeakPolarHBondContact O-CD2 3.39Å; I313-F317 WeakPolarHBondContact O-CE2 3.47Å; I313-D371 HydrophobicContact CD1-CB 3.72Å; I313-L372 HydrophobicContact CB-CD2 3.85Å; I313-L372 HydrophobicContact CB-CG 4.45Å; I313-L372 HydrophobicContact CG2-CD2 3.65Å; I313-L372 HydrophobicContact CG2-CG 3.79Å
314	L	97.3	Very high	95.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-32.7	-177.5	-168.8	59.8	0	0	0	112	F310 F311 D312 H316 F317 L327 F357 T360 V361 V364 L372	F310-L314 HydrophobicContact CE1-CD2 3.8Å; F310-L314 HydrophobicContact CZ-CD2 3.95Å; F310-L314 VanDerWaalsContact O-CB 3.26Å; F310-L314 WeakPolarHBondContact O-CB 3.38Å; F310-L314 PolarHBondContact O-N 2.97Å; F311-L314 PolarHBondContact O-N 3.27Å; D312-L314 PolarHBondContact O-N 2.87Å; L314-H316 PolarHBondContact O-N 2.87Å; L314-F317 PolarHBondContact O-N 2.9Å; L314-F317 VanDerWaalsContact O-N 3.08Å; L314-L327 HydrophobicContact CB-CD1 4.42Å; L314-L327 HydrophobicContact CB-CD2 4.26Å; L314-L327 HydrophobicContact CD2-CD1 4.47Å; L314-L327 HydrophobicContact CD2-CD2 3.8Å; L314-L327 HydrophobicContact CG-CD1 4.07Å; L314-L327 HydrophobicContact CG-CD2 4.14Å; L314-F357 HydrophobicContact CD2-CB 4.17Å; L314-F357 HydrophobicContact CD2-CD2 4.49Å; L314-F357 HydrophobicContact CD2-CG 4.44Å; L314-T360 HydrophobicContact CD1-CG2 3.74Å; L314-T360 HydrophobicContact CG-CG2 3.8Å; L314-T360 WeakPolarHBondContact O-CG2 3.04Å; L314-V361 HydrophobicContact CD1-CG2 4.31Å; L314-V364 HydrophobicContact CD1-CG2 3.69Å; L314-L372 HydrophobicContact CB-CD2 4.07Å
315	S	97	Very high	95.9	Very high	6 Å²	6	52 Å²	52	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-26.2	178.7	80.6	0	0	0	0	113.7	F311 D312 I313 F317 A318	F311-S315 WeakPolarHBondContact O-CB 3.39Å; F311-S315 PolarHBondContact O-N 2.78Å; D312-S315 WeakPolarHBondContact O-CB 3.47Å; D312-S315 PolarHBondContact O-N 3.09Å; D312-S315 PolarHBondContact O-OG 3.34Å; I313-S315 PolarHBondContact O-N 3.02Å; S315-F317 PolarHBondContact O-N 3.37Å; S315-A318 PolarHBondContact O-N 2.91Å
316	H	96.1	Very high	96.1	Very high	85 Å²	85	53.4 Å²	53.4	39%	0.394	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.5	177.9	-68.4	-82.2	0	0	0	113.7	Y169 D312 I313 L314	Y169-H316 WeakPolarHBondContact CB-CD2 3.46Å; Y169-H316 WeakPolarHBondContact CB-NE2 3.28Å; Y169-H316 HydrophobicContact CD1-CB 4.48Å; D312-H316 PolarHBondContact O-CD2 2.66Å; I313-H316 PolarHBondContact O-N 3.22Å; L314-H316 PolarHBondContact O-N 2.87Å
317	F	96.8	Very high	96.2	Very high	35 Å²	35	53 Å²	53	15%	0.154	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	0.9	179.3	-52.3	-69.3	0	0	0	112.9	Y169 I313 L314 S315 E319 T360 K363 V364 P365 A368	Y169-F317 HydrophobicContact CD1-CE2 4.5Å; Y169-F317 HydrophobicContact CD1-CZ 4.04Å; Y169-F317 HydrophobicContact CE1-CE1 4.49Å; Y169-F317 HydrophobicContact CE1-CE2 4.06Å; Y169-F317 AromaticContact CE1-CZ 3.51Å; Y169-F317 HydrophobicContact CE1-CZ 3.51Å; I313-F317 HydrophobicContact CG2-CE2 4.08Å; I313-F317 WeakPolarHBondContact O-CD2 3.39Å; I313-F317 WeakPolarHBondContact O-CE2 3.47Å; L314-F317 PolarHBondContact O-N 2.9Å; L314-F317 VanDerWaalsContact O-N 3.08Å; S315-F317 PolarHBondContact O-N 3.37Å; F317-E319 PolarHBondContact O-N 3.24Å; F317-T360 HydrophobicContact CB-CG2 4.13Å; F317-K363 HydrophobicContact CB-CB 4.43Å; F317-V364 HydrophobicContact CB-CG2 4.23Å; F317-V364 HydrophobicContact CD2-CG2 3.94Å; F317-V364 HydrophobicContact CG-CG2 4.17Å; F317-P365 HydrophobicContact CE1-CG 3.67Å; F317-P365 HydrophobicContact CZ-CG 3.96Å; F317-A368 HydrophobicContact CE2-CB 3.86Å; F317-A368 HydrophobicContact CZ-CB 3.63Å
318	A	97.1	Very high	96.4	Very high	11 Å²	11	53.3 Å²	53.3	9%	0.091	26%	0.255	C	S	.	.			trans	-80.1	111	-178.1	0	0	0	0	0	110.6	S315 K324 L327 T360	S315-A318 PolarHBondContact O-N 2.91Å; A318-K324 HydrophobicContact CB-CB 3.68Å; A318-K324 HydrophobicContact CB-CG 4.13Å; A318-L327 HydrophobicContact CB-CD1 3.91Å; A318-T360 HydrophobicContact CB-CG2 3.92Å; A318-T360 WeakPolarHBondContact CB-OG1 3.23Å
319	E	96.3	Very high	96.6	Very high	141 Å²	141	55.4 Å²	55.4	66%	0.659	27%	0.266	S	S	*	.			trans	-86.6	-27.2	172.1	-67.4	175.6	-171.9	0	0	112.1	F317 K363	F317-E319 PolarHBondContact O-N 3.24Å; E319-K363 IonicContact OE1-NZ 3.23Å; E319-K363 PolarHBondContact OE1-NZ 3.24Å; E319-K363 WeakPolarHBondContact OE2-CE 3.36Å; E319-K363 IonicContact OE2-NZ 3.26Å; E319-K363 PolarHBondContact OE2-NZ 3.18Å
320	D	95.7	Very high	96.8	Very high	75 Å²	75	54.2 Å²	54.2	40%	0.401	26%	0.26	S	S	.	.	S	Bend	trans	-82.3	125.2	175.6	174.5	70.9	0	0	0	110.5	M322 Q323 K324	D320-M322 VanDerWaalsContact C-N 3.33Å; D320-M322 PolarHBondContact O-N 3.42Å; D320-M322 WeakPolarHBondContact OD2-CB 3.41Å; D320-M322 PolarHBondContact OD2-N 2.97Å; D320-Q323 HydrophobicContact CB-CB 4.33Å; D320-Q323 PolarHBondContact O-N 3.44Å; D320-Q323 WeakPolarHBondContact OD2-CG 3.44Å; D320-Q323 PolarHBondContact OD2-N 3.22Å; D320-K324 WeakPolarHBondContact O-CB 3.44Å; D320-K324 PolarHBondContact O-N 2.96Å
321	E	96	Very high	96.7	Very high	133 Å²	133	54.5 Å²	54.5	62%	0.621	26%	0.264	S	S	*	.	H	α-helix	trans	-64.4	-37.2	-172.8	-164.6	62	-151.5	0	0	112.2	K324 E325	E321-K324 PolarHBondContact O-N 3.29Å; E321-E325 WeakPolarHBondContact O-CB 3.44Å; E321-E325 PolarHBondContact O-N 3.24Å
322	M	96.8	Very high	96.5	Very high	143 Å²	143	55.8 Å²	55.8	70%	0.704	27%	0.273	S	S	*	.	H	α-helix	trans	-66.8	-44.5	179.5	-175.2	-168	-58.5	0	0	111.4	D320 K326	D320-M322 VanDerWaalsContact C-N 3.33Å; D320-M322 PolarHBondContact O-N 3.42Å; D320-M322 WeakPolarHBondContact OD2-CB 3.41Å; D320-M322 PolarHBondContact OD2-N 2.97Å; M322-K326 PolarHBondContact O-N 3.03Å; M322-K326 VanDerWaalsContact O-N 3.08Å
323	Q	97.1	Very high	96.2	Very high	35 Å²	35	54.5 Å²	54.5	16%	0.164	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-42	174	-75.1	-174.4	17.2	0	0	111.6	D320 K326 L327 F357 S359 T360	D320-Q323 HydrophobicContact CB-CB 4.33Å; D320-Q323 PolarHBondContact O-N 3.44Å; D320-Q323 WeakPolarHBondContact OD2-CG 3.44Å; D320-Q323 PolarHBondContact OD2-N 3.22Å; Q323-K326 PolarHBondContact O-N 2.91Å; Q323-L327 WeakPolarHBondContact O-CB 3.3Å; Q323-L327 WeakPolarHBondContact O-CG 3.34Å; Q323-L327 PolarHBondContact O-N 3.44Å; Q323-F357 HydrophobicContact CB-CD1 4.13Å; Q323-F357 HydrophobicContact CB-CE1 4.49Å; Q323-F357 HydrophobicContact CG-CD1 3.96Å; Q323-F357 HydrophobicContact CG-CE1 4.44Å; Q323-S359 PolarHBondContact NE2-OG 2.88Å; Q323-S359 PolarHBondContact OE1-OG 3.49Å; Q323-T360 PolarHBondContact OE1-OG1 3.42Å
324	K	97.6	Very high	96	Very high	79 Å²	79	60.2 Å²	60.2	34%	0.343	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-48	178.6	-171.7	175.7	-178.6	179.3	0	111.7	A318 D320 E321 K326 L327 L328	A318-K324 HydrophobicContact CB-CB 3.68Å; A318-K324 HydrophobicContact CB-CG 4.13Å; D320-K324 WeakPolarHBondContact O-CB 3.44Å; D320-K324 PolarHBondContact O-N 2.96Å; E321-K324 PolarHBondContact O-N 3.29Å; K324-K326 VanDerWaalsContact C-N 3.33Å; K324-K326 PolarHBondContact O-N 2.93Å; K324-L327 PolarHBondContact O-N 3.39Å; K324-L328 HydrophobicContact CG-CD1 4.14Å; K324-L328 WeakPolarHBondContact O-CB 3.05Å; K324-L328 VanDerWaalsContact O-CG 3.31Å; K324-L328 WeakPolarHBondContact O-CG 3.38Å; K324-L328 PolarHBondContact O-N 2.86Å
325	E	97.6	Very high	95.8	Very high	134 Å²	134	60.3 Å²	60.3	63%	0.626	29%	0.294	S	S	*	.	H	α-helix	trans	-56.2	-48.4	175.5	-175.7	178.7	-169.9	0	0	110.8	E321 L327 L328 E329	E321-E325 WeakPolarHBondContact O-CB 3.44Å; E321-E325 PolarHBondContact O-N 3.24Å; E325-L327 PolarHBondContact O-N 2.93Å; E325-L328 PolarHBondContact O-N 3.44Å; E325-E329 WeakPolarHBondContact O-CB 3.45Å; E325-E329 PolarHBondContact O-N 3Å
326	K	98	Very high	95.5	Very high	65 Å²	65	60.8 Å²	60.8	28%	0.283	30%	0.296	S	S	.	.	H	α-helix	trans	-65.3	-38.5	-180	-172.1	54.4	175.9	-179.9	0	113.1	M322 Q323 K324 E329 L330 F357	M322-K326 PolarHBondContact O-N 3.03Å; M322-K326 VanDerWaalsContact O-N 3.08Å; Q323-K326 PolarHBondContact O-N 2.91Å; K324-K326 VanDerWaalsContact C-N 3.33Å; K324-K326 PolarHBondContact O-N 2.93Å; K326-E329 WeakPolarHBondContact CD-OE2 3.31Å; K326-E329 WeakPolarHBondContact CE-OE2 3.49Å; K326-E329 IonicContact NZ-OE1 2.75Å; K326-E329 IonicContact NZ-OE2 3.66Å; K326-E329 PolarHBondContact NZ-OE2 3.1Å; K326-E329 PolarHBondContact O-N 3.43Å; K326-L330 HydrophobicContact CD-CD1 4.32Å; K326-L330 HydrophobicContact CD-CG 4.27Å; K326-L330 HydrophobicContact CG-CD1 4.06Å; K326-L330 HydrophobicContact CG-CG 4.48Å; K326-L330 WeakPolarHBondContact O-CB 3.19Å; K326-L330 VanDerWaalsContact O-CG 3.23Å; K326-L330 WeakPolarHBondContact O-CG 3.49Å; K326-L330 PolarHBondContact O-N 2.9Å; K326-F357 HydrophobicContact CB-CE1 4.3Å; K326-F357 HydrophobicContact CG-CE1 4.27Å; K326-F357 HydrophobicContact CG-CZ 4.06Å
327	L	98.1	Very high	95.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.9	-40.7	177.3	-69.4	168.4	0	0	0	111.3	F311 L314 A318 Q323 K324 E325 L330 S331 F357 T360	F311-L327 HydrophobicContact CD1-CD2 3.78Å; L314-L327 HydrophobicContact CB-CD1 4.42Å; L314-L327 HydrophobicContact CB-CD2 4.26Å; L314-L327 HydrophobicContact CD2-CD1 4.47Å; L314-L327 HydrophobicContact CD2-CD2 3.8Å; L314-L327 HydrophobicContact CG-CD1 4.07Å; L314-L327 HydrophobicContact CG-CD2 4.14Å; A318-L327 HydrophobicContact CB-CD1 3.91Å; Q323-L327 WeakPolarHBondContact O-CB 3.3Å; Q323-L327 WeakPolarHBondContact O-CG 3.34Å; Q323-L327 PolarHBondContact O-N 3.44Å; K324-L327 PolarHBondContact O-N 3.39Å; E325-L327 PolarHBondContact O-N 2.93Å; L327-L330 PolarHBondContact O-N 3.17Å; L327-S331 WeakPolarHBondContact O-CB 3.13Å; L327-S331 PolarHBondContact O-N 2.9Å; L327-S331 VanDerWaalsContact O-N 3.12Å; L327-S331 PolarHBondContact O-OG 3.48Å; L327-F357 HydrophobicContact CD1-CD1 4.19Å; L327-F357 HydrophobicContact CD1-CE1 4.49Å; L327-F357 HydrophobicContact CD2-CD1 3.76Å; L327-F357 HydrophobicContact CD2-CD2 3.98Å; L327-F357 HydrophobicContact CD2-CE1 3.64Å; L327-F357 HydrophobicContact CD2-CE2 3.88Å; L327-F357 HydrophobicContact CD2-CG 3.94Å; L327-F357 HydrophobicContact CD2-CZ 3.71Å; L327-F357 HydrophobicContact CG-CD1 3.92Å; L327-F357 HydrophobicContact CG-CE1 3.75Å; L327-F357 HydrophobicContact CG-CZ 4.24Å; L327-T360 HydrophobicContact CD1-CG2 4.02Å
328	L	96.7	Very high	95.3	Very high	78 Å²	78	62.5 Å²	62.5	41%	0.408	31%	0.306	S	S	.	.	H	α-helix	trans	-68	-38.5	175.6	-69.7	173.6	0	0	0	112.2	K324 E325 S331 S332	K324-L328 HydrophobicContact CG-CD1 4.14Å; K324-L328 WeakPolarHBondContact O-CB 3.05Å; K324-L328 VanDerWaalsContact O-CG 3.31Å; K324-L328 WeakPolarHBondContact O-CG 3.38Å; K324-L328 PolarHBondContact O-N 2.86Å; E325-L328 PolarHBondContact O-N 3.44Å; L328-S331 PolarHBondContact O-N 3.38Å; L328-S331 PolarHBondContact O-OG 2.81Å; L328-S331 VanDerWaalsContact O-OG 3.06Å; L328-S332 WeakPolarHBondContact O-CB 3.4Å; L328-S332 PolarHBondContact O-N 3.41Å; L328-S332 VanDerWaalsContact O-N 3.15Å
329	E	96.5	Very high	95.2	Very high	72 Å²	72	62.5 Å²	62.5	34%	0.336	31%	0.305	S	S	.	.	H	α-helix	trans	-59.3	-52.5	173.1	-175.4	-172.1	-163.1	0	0	110.5	E325 K326 S331 S332 G335	E325-E329 WeakPolarHBondContact O-CB 3.45Å; E325-E329 PolarHBondContact O-N 3Å; K326-E329 WeakPolarHBondContact CD-OE2 3.31Å; K326-E329 WeakPolarHBondContact CE-OE2 3.49Å; K326-E329 IonicContact NZ-OE1 2.75Å; K326-E329 IonicContact NZ-OE2 3.66Å; K326-E329 PolarHBondContact NZ-OE2 3.1Å; K326-E329 PolarHBondContact O-N 3.43Å; E329-S331 PolarHBondContact O-N 3.19Å; E329-S332 WeakPolarHBondContact O-CB 3.1Å; E329-S332 PolarHBondContact O-N 3.33Å; E329-S332 PolarHBondContact O-OG 3.47Å; E329-G335 WeakPolarHBondContact O-CA 3.38Å
330	L	96.6	Very high	95	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.2	-17.3	-179.2	-67.9	171.7	0	0	0	114.2	F311 K326 L327 D338 L339 Y342 F357	F311-L330 HydrophobicContact CB-CB 4.13Å; F311-L330 HydrophobicContact CD1-CB 3.82Å; F311-L330 HydrophobicContact CD1-CD1 3.74Å; F311-L330 HydrophobicContact CD1-CG 4.45Å; F311-L330 HydrophobicContact CD2-CB 4.17Å; F311-L330 HydrophobicContact CE1-CB 4.31Å; F311-L330 HydrophobicContact CE1-CD1 3.6Å; F311-L330 HydrophobicContact CG-CB 3.76Å; F311-L330 HydrophobicContact CG-CD1 4.5Å; F311-L330 HydrophobicContact CZ-CD1 4.27Å; K326-L330 HydrophobicContact CD-CD1 4.32Å; K326-L330 HydrophobicContact CD-CG 4.27Å; K326-L330 HydrophobicContact CG-CD1 4.06Å; K326-L330 HydrophobicContact CG-CG 4.48Å; K326-L330 WeakPolarHBondContact O-CB 3.19Å; K326-L330 VanDerWaalsContact O-CG 3.23Å; K326-L330 WeakPolarHBondContact O-CG 3.49Å; K326-L330 PolarHBondContact O-N 2.9Å; L327-L330 PolarHBondContact O-N 3.17Å; L330-D338 HydrophobicContact CD2-CB 4.18Å; L330-L339 HydrophobicContact CD2-CB 4.24Å; L330-Y342 HydrophobicContact CD1-CD1 3.78Å; L330-Y342 HydrophobicContact CD1-CE1 4.02Å; L330-Y342 HydrophobicContact CD1-CG 4.45Å; L330-Y342 HydrophobicContact CD2-CD1 4.19Å; L330-Y342 HydrophobicContact CD2-CG 4.4Å; L330-F357 HydrophobicContact CD1-CE2 4.47Å; L330-F357 HydrophobicContact CD1-CZ 4.11Å
331	S	94.6	Very high	95	Very high	17 Å²	17	58 Å²	58	12%	0.119	28%	0.283	C	S	.	.	H	α-helix	trans	-95.4	-10.1	175	73.5	0	0	0	0	113.7	R308 L327 L328 E329	R308-S331 VanDerWaalsContact CZ-O 3.24Å; R308-S331 PolarHBondContact NE-O 3.02Å; R308-S331 PolarHBondContact NH2-O 3.06Å; L327-S331 WeakPolarHBondContact O-CB 3.13Å; L327-S331 PolarHBondContact O-N 2.9Å; L327-S331 VanDerWaalsContact O-N 3.12Å; L327-S331 PolarHBondContact O-OG 3.48Å; L328-S331 PolarHBondContact O-N 3.38Å; L328-S331 PolarHBondContact O-OG 2.81Å; L328-S331 VanDerWaalsContact O-OG 3.06Å; E329-S331 PolarHBondContact O-N 3.19Å
332	S	92.7	Very high	95	Very high	27 Å²	27	53.5 Å²	53.5	19%	0.189	26%	0.261	C	S	.	.	S	Bend	trans	-87.2	154.7	-174.9	74.2	0	0	0	0	114.1	R308 L328 E329 E334 G335	R308-S332 VanDerWaalsContact CZ-C 3.41Å; R308-S332 VanDerWaalsContact CZ-O 3.3Å; R308-S332 PolarHBondContact NH1-O 2.97Å; R308-S332 PolarHBondContact NH2-O 3.29Å; L328-S332 WeakPolarHBondContact O-CB 3.4Å; L328-S332 PolarHBondContact O-N 3.41Å; L328-S332 VanDerWaalsContact O-N 3.15Å; E329-S332 WeakPolarHBondContact O-CB 3.1Å; E329-S332 PolarHBondContact O-N 3.33Å; E329-S332 PolarHBondContact O-OG 3.47Å; S332-E334 PolarHBondContact O-N 2.83Å; S332-G335 PolarHBondContact O-N 3.42Å; S332-G335 PolarHBondContact OG-N 2.79Å
333	P	90	Very high	95	Very high	9 Å²	9	46.7 Å²	46.7	6%	0.058	23%	0.227	C	C	.	.	S	Bend	trans	-58.3	-38.7	172.4	-22.5	32.2	0	0	0	112.7	D138 Q142 R308 Q336	D138-P333 HydrophobicContact CB-CB 4.21Å; D138-P333 HydrophobicContact CB-CG 4.35Å; Q142-P333 HydrophobicContact CG-CG 4.47Å; Q142-P333 VanDerWaalsContact OE1-CG 3.3Å; R308-P333 VanDerWaalsContact NH1-CA 3.26Å; P333-Q336 PolarHBondContact O-N 2.86Å
334	E	91.4	Very high	94.7	Very high	119 Å²	119	47.5 Å²	47.5	56%	0.556	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-36.8	-179	-67.5	68.1	-148.7	0	0	111.7	R135 S332 Q336	R135-E334 IonicContact CZ-OE1 2.7Å; R135-E334 IonicContact NH1-OE1 3.19Å; R135-E334 PolarHBondContact NH1-OE1 3.24Å; S332-E334 PolarHBondContact O-N 2.83Å; E334-Q336 VanDerWaalsContact C-N 3.27Å; E334-Q336 PolarHBondContact O-N 3.5Å
335	G	92.5	Very high	94.5	Very high	2 Å²	2	48 Å²	48	2%	0.021	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	20.9	179	0	0	0	0	0	115	E329 S332 E337 D338 L339	E329-G335 WeakPolarHBondContact O-CA 3.38Å; S332-G335 PolarHBondContact O-N 3.42Å; S332-G335 PolarHBondContact OG-N 2.79Å; G335-E337 PolarHBondContact O-N 2.83Å; G335-D338 PolarHBondContact O-N 3.34Å; G335-L339 PolarHBondContact O-N 2.82Å
336	Q	90.9	Very high	94.4	Very high	17 Å²	17	42 Å²	42	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-42.8	178.7	175.3	165	-21.8	0	0	112.5	R135 P333 E334 D338 L339 H340	R135-Q336 PolarHBondContact O-OE1 3.05Å; P333-Q336 PolarHBondContact O-N 2.86Å; E334-Q336 VanDerWaalsContact C-N 3.27Å; E334-Q336 PolarHBondContact O-N 3.5Å; Q336-D338 VanDerWaalsContact C-N 3.31Å; Q336-D338 PolarHBondContact O-N 3.45Å; Q336-L339 WeakPolarHBondContact O-CB 3.24Å; Q336-L339 PolarHBondContact O-N 3.27Å; Q336-H340 PolarHBondContact O-CD2 3.42Å; Q336-H340 VanDerWaalsContact O-CD2 3.23Å; Q336-H340 PolarHBondContact O-N 3.04Å
337	E	93.3	Very high	94.2	Very high	94 Å²	94	44.3 Å²	44.3	44%	0.439	21%	0.214	S	C	.	.	H	α-helix	trans	-64.8	-39.9	179.4	-177.5	64.5	173.8	0	0	110.9	G335 L339 H340 D341 R345	G335-E337 PolarHBondContact O-N 2.83Å; E337-L339 PolarHBondContact O-N 3.4Å; E337-H340 CarbonylContact O-C 3.54Å; E337-H340 WeakPolarHBondContact O-CA 3.05Å; E337-H340 WeakPolarHBondContact O-CB 3.33Å; E337-H340 PolarHBondContact O-N 2.73Å; E337-H340 VanDerWaalsContact O-N 3.1Å; E337-D341 PolarHBondContact O-N 2.89Å; E337-R345 VanDerWaalsContact CD-NH1 3.3Å; E337-R345 IonicContact OE1-CZ 3.81Å; E337-R345 IonicContact OE1-NH1 2.72Å; E337-R345 PolarHBondContact OE1-NH1 3.05Å; E337-R345 IonicContact OE1-NH2 3.99Å; E337-R345 PolarHBondContact OE1-NH2 3.02Å; E337-R345 IonicContact OE2-CZ 3.57Å; E337-R345 IonicContact OE2-NH1 3.14Å; E337-R345 IonicContact OE2-NH2 2.67Å; E337-R345 PolarHBondContact OE2-NH2 3.44Å
338	D	95.5	Very high	94.1	Very high	61 Å²	61	46.4 Å²	46.4	33%	0.326	22%	0.222	S	C	.	.	H	α-helix	trans	-61.3	-42.2	172.8	-65.8	-70.4	0	0	0	112.3	L330 G335 Q336 H340 D341 Y342	L330-D338 HydrophobicContact CD2-CB 4.18Å; G335-D338 PolarHBondContact O-N 3.34Å; Q336-D338 VanDerWaalsContact C-N 3.31Å; Q336-D338 PolarHBondContact O-N 3.45Å; D338-H340 VanDerWaalsContact C-N 3.32Å; D338-H340 PolarHBondContact O-N 2.85Å; D338-D341 PolarHBondContact O-N 2.81Å; D338-Y342 WeakPolarHBondContact O-CB 3.49Å; D338-Y342 PolarHBondContact O-N 2.96Å
339	L	95.1	Very high	94.1	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-40.9	172.6	176.5	64.9	0	0	0	111.5	R308 F311 L330 G335 Q336 E337 C343 T344	R308-L339 HydrophobicContact CG-CD2 3.46Å; R308-L339 VanDerWaalsContact CG-CD2 3.46Å; F311-L339 HydrophobicContact CD2-CD1 3.84Å; F311-L339 HydrophobicContact CE2-CD1 3.32Å; F311-L339 HydrophobicContact CZ-CD1 4.08Å; L330-L339 HydrophobicContact CD2-CB 4.24Å; G335-L339 PolarHBondContact O-N 2.82Å; Q336-L339 WeakPolarHBondContact O-CB 3.24Å; Q336-L339 PolarHBondContact O-N 3.27Å; E337-L339 PolarHBondContact O-N 3.4Å; L339-C343 HydrophobicContact CD1-CB 4.02Å; L339-C343 WeakPolarHBondContact O-CA 3.39Å; L339-C343 WeakPolarHBondContact O-CB 3.23Å; L339-C343 PolarHBondContact O-N 2.71Å; L339-T344 PolarHBondContact O-N 3.01Å
340	H	93.1	Very high	94.1	Very high	47 Å²	47	40.3 Å²	40.3	22%	0.218	19%	0.193	C	C	.	.	I	π-helix	trans	-64.8	-43	176.9	-88.9	-110.7	0	0	0	112	Q336 E337 D338 T344 R345	Q336-H340 PolarHBondContact O-CD2 3.42Å; Q336-H340 VanDerWaalsContact O-CD2 3.23Å; Q336-H340 PolarHBondContact O-N 3.04Å; E337-H340 CarbonylContact O-C 3.54Å; E337-H340 WeakPolarHBondContact O-CA 3.05Å; E337-H340 WeakPolarHBondContact O-CB 3.33Å; E337-H340 PolarHBondContact O-N 2.73Å; E337-H340 VanDerWaalsContact O-N 3.1Å; D338-H340 VanDerWaalsContact C-N 3.32Å; D338-H340 PolarHBondContact O-N 2.85Å; H340-T344 PolarHBondContact O-N 2.68Å; H340-R345 WeakPolarHBondContact O-CB 3.49Å; H340-R345 WeakPolarHBondContact O-CG 3.48Å; H340-R345 PolarHBondContact O-N 2.98Å
341	D	95.4	Very high	94.1	Very high	74 Å²	74	40.6 Å²	40.6	40%	0.396	19%	0.194	S	C	.	.	I	π-helix	trans	-70.4	-37.3	177.5	-88.4	-31.6	0	0	0	113.4	E337 D338 R345 P346 R405	E337-D341 PolarHBondContact O-N 2.89Å; D338-D341 PolarHBondContact O-N 2.81Å; D341-R345 VanDerWaalsContact OD1-CD 3.24Å; D341-R345 WeakPolarHBondContact OD1-CD 3.44Å; D341-R345 IonicContact OD1-CZ 2.67Å; D341-R345 IonicContact OD1-NE 3.03Å; D341-R345 IonicContact OD1-NH1 3.75Å; D341-R345 PolarHBondContact OD1-NH1 3.14Å; D341-R345 IonicContact OD2-NH1 3.9Å; D341-R345 PolarHBondContact OD2-NH1 2.81Å; D341-R345 VanDerWaalsContact OD2-NH1 3.11Å; D341-P346 WeakPolarHBondContact O-CD 3.33Å; D341-P346 VanDerWaalsContact O-CG 3.3Å; D341-P346 WeakPolarHBondContact O-CG 3.45Å; D341-R405 IonicContact OD1-NH1 3.17Å; D341-R405 PolarHBondContact OD1-NH1 2.89Å
342	Y	96.6	Very high	94.2	Very high	39 Å²	39	41.2 Å²	41.2	15%	0.153	20%	0.195	C	C	.	.	I	π-helix	trans	-78.1	-41.1	-179.1	-179.8	-111.5	0	0	0	113.1	F311 L330 D338 P346 R348 T353 D356 F357	F311-Y342 HydrophobicContact CE1-CD1 4.39Å; F311-Y342 AromaticContact CE1-CE1 3.98Å; F311-Y342 HydrophobicContact CE1-CE1 3.98Å; F311-Y342 HydrophobicContact CZ-CD1 4.19Å; F311-Y342 HydrophobicContact CZ-CE1 4.03Å; L330-Y342 HydrophobicContact CD1-CD1 3.78Å; L330-Y342 HydrophobicContact CD1-CE1 4.02Å; L330-Y342 HydrophobicContact CD1-CG 4.45Å; L330-Y342 HydrophobicContact CD2-CD1 4.19Å; L330-Y342 HydrophobicContact CD2-CG 4.4Å; D338-Y342 WeakPolarHBondContact O-CB 3.49Å; D338-Y342 PolarHBondContact O-N 2.96Å; Y342-P346 WeakPolarHBondContact O-CG 3.35Å; Y342-R348 PolarHBondContact O-NE 3.01Å; Y342-T353 HydrophobicContact CE1-CG2 3.99Å; Y342-D356 VanDerWaalsContact OH-CB 3.23Å; Y342-D356 WeakPolarHBondContact OH-CB 3.32Å; Y342-D356 PolarHBondContact OH-OD2 3.28Å; Y342-F357 HydrophobicContact CE1-CE2 4.15Å; Y342-F357 WeakPolarHBondContact OH-CE2 3.4Å
343	C	95.4	Very high	94.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-114.4	-61.3	-173.2	-77.9	0	0	0	0	114.2	V305 F311 L339 P346 R347 R348	V305-C343 HydrophobicContact CG1-CB 3.86Å; F311-C343 VanDerWaalsContact CZ-SG 3.56Å; L339-C343 HydrophobicContact CD1-CB 4.02Å; L339-C343 WeakPolarHBondContact O-CA 3.39Å; L339-C343 WeakPolarHBondContact O-CB 3.23Å; L339-C343 PolarHBondContact O-N 2.71Å; C343-P346 WeakPolarHBondContact O-CD 3.49Å; C343-R347 VanDerWaalsContact O-CA 3.26Å; C343-R347 WeakPolarHBondContact O-CA 3.46Å; C343-R347 PolarHBondContact O-N 3.26Å; C343-R348 PolarHBondContact O-N 3.45Å
344	T	92	Very high	94.8	Very high	51 Å²	51	39.5 Å²	39.5	31%	0.313	18%	0.183	S	C	.	.	I	π-helix	trans	-66.6	-52	-164.4	-54	0	0	0	0	113.1	L339 H340 R347	L339-T344 PolarHBondContact O-N 3.01Å; H340-T344 PolarHBondContact O-N 2.68Å; T344-R347 WeakPolarHBondContact O-CD 3.32Å; T344-R347 PolarHBondContact O-N 3.02Å
345	R	92.7	Very high	95	Very high	91 Å²	91	39.2 Å²	39.2	34%	0.343	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-45.7	-179.3	-65.8	170.4	-178.5	157.6	4.7	112.6	E337 H340 D341 R347	E337-R345 VanDerWaalsContact CD-NH1 3.3Å; E337-R345 IonicContact OE1-CZ 3.81Å; E337-R345 IonicContact OE1-NH1 2.72Å; E337-R345 PolarHBondContact OE1-NH1 3.05Å; E337-R345 IonicContact OE1-NH2 3.99Å; E337-R345 PolarHBondContact OE1-NH2 3.02Å; E337-R345 IonicContact OE2-CZ 3.57Å; E337-R345 IonicContact OE2-NH1 3.14Å; E337-R345 IonicContact OE2-NH2 2.67Å; E337-R345 PolarHBondContact OE2-NH2 3.44Å; H340-R345 WeakPolarHBondContact O-CB 3.49Å; H340-R345 WeakPolarHBondContact O-CG 3.48Å; H340-R345 PolarHBondContact O-N 2.98Å; D341-R345 VanDerWaalsContact OD1-CD 3.24Å; D341-R345 WeakPolarHBondContact OD1-CD 3.44Å; D341-R345 IonicContact OD1-CZ 2.67Å; D341-R345 IonicContact OD1-NE 3.03Å; D341-R345 IonicContact OD1-NH1 3.75Å; D341-R345 PolarHBondContact OD1-NH1 3.14Å; D341-R345 IonicContact OD2-NH1 3.9Å; D341-R345 PolarHBondContact OD2-NH1 2.81Å; D341-R345 VanDerWaalsContact OD2-NH1 3.11Å; R345-R347 VanDerWaalsContact C-N 3.25Å; R345-R347 PolarHBondContact O-N 3.39Å
346	P	94.8	Very high	95.2	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.039	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.9	174.9	28.4	-34.6	0	0	0	113.7	D341 Y342 C343 R348 S404 R405 L406	D341-P346 WeakPolarHBondContact O-CD 3.33Å; D341-P346 VanDerWaalsContact O-CG 3.3Å; D341-P346 WeakPolarHBondContact O-CG 3.45Å; Y342-P346 WeakPolarHBondContact O-CG 3.35Å; C343-P346 WeakPolarHBondContact O-CD 3.49Å; P346-R348 VanDerWaalsContact C-N 3.29Å; P346-R348 HydrophobicContact CG-CB 4.43Å; P346-S404 WeakPolarHBondContact O-CB 3.45Å; P346-S404 PolarHBondContact O-OG 2.68Å; P346-R405 HydrophobicContact CB-CB 4.21Å; P346-L406 HydrophobicContact CB-CD1 4.22Å; P346-L406 HydrophobicContact CB-CD2 4.41Å; P346-L406 HydrophobicContact CB-CG 3.92Å
347	R	94.8	Very high	95.5	Very high	115 Å²	115	42.4 Å²	42.4	43%	0.434	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	43.2	-173	-55	-70.6	-70.5	-172.1	1.8	111.5	C343 T344 R345 Y402 R410	C343-R347 VanDerWaalsContact O-CA 3.26Å; C343-R347 WeakPolarHBondContact O-CA 3.46Å; C343-R347 PolarHBondContact O-N 3.26Å; T344-R347 WeakPolarHBondContact O-CD 3.32Å; T344-R347 PolarHBondContact O-N 3.02Å; R345-R347 VanDerWaalsContact C-N 3.25Å; R345-R347 PolarHBondContact O-N 3.39Å; R347-Y402 HydrophobicContact CG-CE2 4.26Å; R347-Y402 PolarHBondContact NE-OH 2.82Å; R347-R410 HydrophobicContact CB-CG 4.17Å; R347-R410 WeakPolarHBondContact O-CD 3.48Å
348	R	96.5	Very high	95.6	Very high	44 Å²	44	40.1 Å²	40.1	17%	0.166	19%	0.191	C	C	.	.			trans	-63.7	131.9	177.2	-174.1	179.5	-69.5	-89.6	8.6	109.3	V305 P306 Y342 C343 P346 E352 T353 D356 L406	V305-R348 WeakPolarHBondContact CA-O 3.35Å; P306-R348 WeakPolarHBondContact CD-O 3.37Å; Y342-R348 PolarHBondContact O-NE 3.01Å; C343-R348 PolarHBondContact O-N 3.45Å; P346-R348 VanDerWaalsContact C-N 3.29Å; P346-R348 HydrophobicContact CG-CB 4.43Å; R348-E352 WeakPolarHBondContact CA-OE2 3.43Å; R348-E352 HydrophobicContact CG-CB 3.76Å; R348-T353 WeakPolarHBondContact CD-OG1 3.41Å; R348-D356 IonicContact CZ-OD2 2.76Å; R348-D356 IonicContact NE-OD2 2.74Å; R348-D356 IonicContact NH1-OD1 2.77Å; R348-D356 IonicContact NH1-OD2 2.8Å; R348-D356 PolarHBondContact NH1-OD2 2.73Å; R348-D356 IonicContact NH2-OD2 3.11Å; R348-L406 HydrophobicContact CB-CD1 4.35Å
349	T	96.5	Very high	95.7	Very high	18 Å²	18	40 Å²	40	11%	0.11	20%	0.196	C	C	.	.			trans	-82.6	164.8	178.9	64.2	0	0	0	0	111.3	Q303 A304 V351 E352 T353	Q303-T349 HydrophobicContact CB-CG2 4.41Å; A304-T349 CarbonylContact O-C 3.57Å; A304-T349 WeakPolarHBondContact O-CA 3.48Å; T349-V351 VanDerWaalsContact C-N 3.3Å; T349-V351 PolarHBondContact O-N 3.36Å; T349-E352 PolarHBondContact N-OE2 2.7Å; T349-E352 PolarHBondContact O-N 2.86Å; T349-E352 WeakPolarHBondContact OG1-CG 3.17Å; T349-E352 PolarHBondContact OG1-N 2.67Å; T349-E352 PolarHBondContact OG1-OE2 3.06Å; T349-T353 PolarHBondContact O-N 3.18Å; T349-T353 PolarHBondContact O-OG1 3.39Å
350	V	96.7	Very high	95.8	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-41.7	172.2	67.7	0	0	0	0	111.7	D301 L302 A304 P306 F310 E352 T353 L354 L373	D301-V350 WeakPolarHBondContact O-CG1 3.26Å; L302-V350 WeakPolarHBondContact O-CG1 3.49Å; A304-V350 PolarHBondContact O-N 3.44Å; P306-V350 HydrophobicContact CG-CB 3.89Å; P306-V350 HydrophobicContact CG-CG2 4.16Å; F310-V350 HydrophobicContact CD2-CG2 3.94Å; F310-V350 HydrophobicContact CE2-CG2 3.33Å; F310-V350 HydrophobicContact CZ-CG2 3.74Å; V350-E352 PolarHBondContact O-N 2.75Å; V350-T353 CarbonylContact O-C 3.53Å; V350-T353 WeakPolarHBondContact O-CB 3.23Å; V350-T353 PolarHBondContact O-N 3.12Å; V350-T353 VanDerWaalsContact O-N 3.09Å; V350-L354 HydrophobicContact CG2-CD1 4.49Å; V350-L354 HydrophobicContact CG2-CG 4.37Å; V350-L354 VanDerWaalsContact O-CG 3.28Å; V350-L354 WeakPolarHBondContact O-CG 3.38Å; V350-L354 PolarHBondContact O-N 2.98Å; V350-L373 HydrophobicContact CB-CD2 4.36Å; V350-L373 HydrophobicContact CG1-CD2 4.02Å; V350-L373 HydrophobicContact CG2-CD2 3.48Å; V350-L373 VanDerWaalsContact CG2-CD2 3.48Å
351	V	96.6	Very high	96	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.036	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-40.9	177.4	174.3	0	0	0	0	112.4	D256 F257 I260 L302 T349 T353 L354 R355	D256-V351 HydrophobicContact CB-CG1 3.71Å; F257-V351 HydrophobicContact CB-CG2 4.28Å; F257-V351 HydrophobicContact CD2-CG2 4.35Å; I260-V351 HydrophobicContact CD1-CG1 3.88Å; I260-V351 WeakPolarHBondContact CD1-O 3.26Å; L302-V351 HydrophobicContact CB-CG2 3.76Å; L302-V351 HydrophobicContact CD2-CG2 4.11Å; L302-V351 HydrophobicContact CG-CG2 4.37Å; L302-V351 WeakPolarHBondContact O-CG2 3.3Å; T349-V351 VanDerWaalsContact C-N 3.3Å; T349-V351 PolarHBondContact O-N 3.36Å; V351-T353 VanDerWaalsContact C-N 3.3Å; V351-T353 PolarHBondContact O-N 3.37Å; V351-L354 PolarHBondContact O-N 2.84Å; V351-R355 PolarHBondContact O-N 2.81Å
352	E	96.3	Very high	96.1	Very high	29 Å²	29	38 Å²	38	14%	0.136	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-38.1	174	-71.7	167.3	158.2	0	0	111.5	R348 T349 V350 R355 D356 R410	R348-E352 WeakPolarHBondContact CA-OE2 3.43Å; R348-E352 HydrophobicContact CG-CB 3.76Å; T349-E352 PolarHBondContact N-OE2 2.7Å; T349-E352 PolarHBondContact O-N 2.86Å; T349-E352 WeakPolarHBondContact OG1-CG 3.17Å; T349-E352 PolarHBondContact OG1-N 2.67Å; T349-E352 PolarHBondContact OG1-OE2 3.06Å; V350-E352 PolarHBondContact O-N 2.75Å; E352-R355 WeakPolarHBondContact O-CB 3.44Å; E352-R355 PolarHBondContact O-N 2.98Å; E352-D356 PolarHBondContact O-N 3.49Å; E352-R410 IonicContact OE1-CZ 3.61Å; E352-R410 VanDerWaalsContact OE1-CZ 3.26Å; E352-R410 IonicContact OE1-NH1 3.88Å; E352-R410 PolarHBondContact OE1-NH1 3.04Å; E352-R410 IonicContact OE1-NH2 3.82Å; E352-R410 PolarHBondContact OE1-NH2 3.05Å; E352-R410 IonicContact OE2-CZ 2.69Å; E352-R410 IonicContact OE2-NH1 3.16Å; E352-R410 PolarHBondContact OE2-NH1 3.33Å; E352-R410 IonicContact OE2-NH2 3.39Å
353	T	97.3	Very high	96.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.3	-40.2	177.5	-55.6	0	0	0	0	111.8	P306 F310 F311 Y342 R348 T349 V350 V351 R355 D356 F357	P306-T353 HydrophobicContact CG-CG2 4.33Å; F310-T353 HydrophobicContact CE1-CG2 3.67Å; F310-T353 HydrophobicContact CZ-CG2 4.31Å; F311-T353 HydrophobicContact CE1-CG2 3.65Å; F311-T353 HydrophobicContact CZ-CG2 3.88Å; Y342-T353 HydrophobicContact CE1-CG2 3.99Å; R348-T353 WeakPolarHBondContact CD-OG1 3.41Å; T349-T353 PolarHBondContact O-N 3.18Å; T349-T353 PolarHBondContact O-OG1 3.39Å; V350-T353 CarbonylContact O-C 3.53Å; V350-T353 WeakPolarHBondContact O-CB 3.23Å; V350-T353 PolarHBondContact O-N 3.12Å; V350-T353 VanDerWaalsContact O-N 3.09Å; V351-T353 VanDerWaalsContact C-N 3.3Å; V351-T353 PolarHBondContact O-N 3.37Å; T353-R355 PolarHBondContact O-N 3.27Å; T353-D356 PolarHBondContact O-N 3.24Å; T353-D356 VanDerWaalsContact O-N 3.14Å; T353-F357 HydrophobicContact CG2-CD2 3.95Å; T353-F357 HydrophobicContact CG2-CE2 4.03Å; T353-F357 WeakPolarHBondContact O-CD2 3.05Å; T353-F357 PolarHBondContact O-N 2.78Å
354	L	97.6	Very high	96.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-35.3	174.8	-68.3	173.7	0	0	0	111.5	F257 I260 V261 F310 V350 V351 F357 A358 V361 W369	F257-L354 HydrophobicContact CD2-CD1 4.02Å; F257-L354 HydrophobicContact CE2-CD1 3.88Å; I260-L354 HydrophobicContact CG2-CB 4.05Å; V261-L354 HydrophobicContact CG2-CD1 4.35Å; F310-L354 HydrophobicContact CE2-CD2 4.1Å; F310-L354 HydrophobicContact CZ-CD2 3.73Å; F310-L354 HydrophobicContact CZ-CG 4.33Å; V350-L354 HydrophobicContact CG2-CD1 4.49Å; V350-L354 HydrophobicContact CG2-CG 4.37Å; V350-L354 VanDerWaalsContact O-CG 3.28Å; V350-L354 WeakPolarHBondContact O-CG 3.38Å; V350-L354 PolarHBondContact O-N 2.98Å; V351-L354 PolarHBondContact O-N 2.84Å; L354-F357 CarbonylContact O-C 3.52Å; L354-F357 PolarHBondContact O-N 2.95Å; L354-A358 WeakPolarHBondContact O-CA 3.4Å; L354-A358 PolarHBondContact O-N 2.86Å; L354-V361 HydrophobicContact CB-CG2 4.08Å; L354-V361 HydrophobicContact CD2-CG1 4.37Å; L354-V361 HydrophobicContact CD2-CG2 3.5Å; L354-V361 HydrophobicContact CG-CG2 4.4Å; L354-V361 WeakPolarHBondContact O-CG2 3.49Å; L354-W369 HydrophobicContact CD1-CH2 4.03Å; L354-W369 HydrophobicContact CD1-CZ3 3.79Å; L354-W369 HydrophobicContact CD2-CH2 3.82Å; L354-W369 HydrophobicContact CD2-CZ3 3.81Å; L354-W369 HydrophobicContact CG-CZ3 4.48Å
355	R	96.3	Very high	96.4	Very high	113 Å²	113	41.2 Å²	41.2	43%	0.426	21%	0.209	S	C	.	.	H	α-helix	trans	-65.4	-41.9	175.7	-168.6	177.4	-69.4	137.2	-3.4	112.1	D256 I260 V351 E352 T353 F357 A358	D256-R355 IonicContact OD1-NH2 3.68Å; I260-R355 HydrophobicContact CD1-CB 3.77Å; I260-R355 HydrophobicContact CD1-CG 4.41Å; I260-R355 HydrophobicContact CG1-CB 4.32Å; V351-R355 PolarHBondContact O-N 2.81Å; E352-R355 WeakPolarHBondContact O-CB 3.44Å; E352-R355 PolarHBondContact O-N 2.98Å; T353-R355 PolarHBondContact O-N 3.27Å; R355-F357 PolarHBondContact O-N 2.76Å; R355-A358 WeakPolarHBondContact O-CB 3.29Å; R355-A358 PolarHBondContact O-N 2.72Å
356	D	96.6	Very high	96.6	Very high	74 Å²	74	39 Å²	39	40%	0.396	21%	0.205	S	C	.	.	H	α-helix	trans	-67.5	-25.9	-179.8	-68.3	-6.8	0	0	0	112.1	Y342 R348 E352 T353	Y342-D356 VanDerWaalsContact OH-CB 3.23Å; Y342-D356 WeakPolarHBondContact OH-CB 3.32Å; Y342-D356 PolarHBondContact OH-OD2 3.28Å; R348-D356 IonicContact CZ-OD2 2.76Å; R348-D356 IonicContact NE-OD2 2.74Å; R348-D356 IonicContact NH1-OD1 2.77Å; R348-D356 IonicContact NH1-OD2 2.8Å; R348-D356 PolarHBondContact NH1-OD2 2.73Å; R348-D356 IonicContact NH2-OD2 3.11Å; E352-D356 PolarHBondContact O-N 3.49Å; T353-D356 PolarHBondContact O-N 3.24Å; T353-D356 VanDerWaalsContact O-N 3.14Å
357	F	97.5	Very high	96.6	Very high	12 Å²	12	41.4 Å²	41.4	5%	0.053	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	32.7	176.8	-62.6	-78.8	0	0	0	113	F311 L314 Q323 K326 L327 L330 Y342 T353 L354 R355 S359 T360 V361	F311-F357 HydrophobicContact CE1-CE2 4.17Å; L314-F357 HydrophobicContact CD2-CB 4.17Å; L314-F357 HydrophobicContact CD2-CD2 4.49Å; L314-F357 HydrophobicContact CD2-CG 4.44Å; Q323-F357 HydrophobicContact CB-CD1 4.13Å; Q323-F357 HydrophobicContact CB-CE1 4.49Å; Q323-F357 HydrophobicContact CG-CD1 3.96Å; Q323-F357 HydrophobicContact CG-CE1 4.44Å; K326-F357 HydrophobicContact CB-CE1 4.3Å; K326-F357 HydrophobicContact CG-CE1 4.27Å; K326-F357 HydrophobicContact CG-CZ 4.06Å; L327-F357 HydrophobicContact CD1-CD1 4.19Å; L327-F357 HydrophobicContact CD1-CE1 4.49Å; L327-F357 HydrophobicContact CD2-CD1 3.76Å; L327-F357 HydrophobicContact CD2-CD2 3.98Å; L327-F357 HydrophobicContact CD2-CE1 3.64Å; L327-F357 HydrophobicContact CD2-CE2 3.88Å; L327-F357 HydrophobicContact CD2-CG 3.94Å; L327-F357 HydrophobicContact CD2-CZ 3.71Å; L327-F357 HydrophobicContact CG-CD1 3.92Å; L327-F357 HydrophobicContact CG-CE1 3.75Å; L327-F357 HydrophobicContact CG-CZ 4.24Å; L330-F357 HydrophobicContact CD1-CE2 4.47Å; L330-F357 HydrophobicContact CD1-CZ 4.11Å; Y342-F357 HydrophobicContact CE1-CE2 4.15Å; Y342-F357 WeakPolarHBondContact OH-CE2 3.4Å; T353-F357 HydrophobicContact CG2-CD2 3.95Å; T353-F357 HydrophobicContact CG2-CE2 4.03Å; T353-F357 WeakPolarHBondContact O-CD2 3.05Å; T353-F357 PolarHBondContact O-N 2.78Å; L354-F357 CarbonylContact O-C 3.52Å; L354-F357 PolarHBondContact O-N 2.95Å; R355-F357 PolarHBondContact O-N 2.76Å; F357-S359 VanDerWaalsContact C-N 3.28Å; F357-S359 PolarHBondContact O-N 2.91Å; F357-S359 VanDerWaalsContact O-N 3.13Å; F357-T360 PolarHBondContact O-N 3.45Å; F357-V361 WeakPolarHBondContact O-CG2 3.43Å; F357-V361 PolarHBondContact O-N 3.05Å
358	A	95.3	Very high	96.7	Very high	47 Å²	47	35.9 Å²	35.9	39%	0.388	19%	0.194	S	C	.	.	H	α-helix	trans	-54.7	-36.3	-169.8	0	0	0	0	0	114.7	L354 R355 V361 S362	L354-A358 WeakPolarHBondContact O-CA 3.4Å; L354-A358 PolarHBondContact O-N 2.86Å; R355-A358 WeakPolarHBondContact O-CB 3.29Å; R355-A358 PolarHBondContact O-N 2.72Å; A358-V361 PolarHBondContact O-N 3.29Å; A358-S362 PolarHBondContact O-N 2.83Å
359	S	96	Very high	96.7	Very high	59 Å²	59	33.9 Å²	33.9	41%	0.413	19%	0.187	S	C	.	.	H	α-helix	trans	-68	-42.7	177.4	54.9	0	0	0	0	112.1	Q323 F357 S362	Q323-S359 PolarHBondContact NE2-OG 2.88Å; Q323-S359 PolarHBondContact OE1-OG 3.49Å; F357-S359 VanDerWaalsContact C-N 3.28Å; F357-S359 PolarHBondContact O-N 2.91Å; F357-S359 VanDerWaalsContact O-N 3.13Å; S359-S362 PolarHBondContact O-N 3.08Å; S359-S362 PolarHBondContact O-OG 3.29Å
360	T	97.9	Very high	96.6	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-43.7	171.2	-64.2	0	0	0	0	110.9	L314 F317 A318 Q323 L327 F357 S362 K363	L314-T360 HydrophobicContact CD1-CG2 3.74Å; L314-T360 HydrophobicContact CG-CG2 3.8Å; L314-T360 WeakPolarHBondContact O-CG2 3.04Å; F317-T360 HydrophobicContact CB-CG2 4.13Å; A318-T360 HydrophobicContact CB-CG2 3.92Å; A318-T360 WeakPolarHBondContact CB-OG1 3.23Å; Q323-T360 PolarHBondContact OE1-OG1 3.42Å; L327-T360 HydrophobicContact CD1-CG2 4.02Å; F357-T360 PolarHBondContact O-N 3.45Å; T360-S362 PolarHBondContact O-N 3.31Å; T360-K363 PolarHBondContact O-N 2.85Å
361	V	97.9	Very high	96.4	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-59.1	-34.8	178.7	171.1	0	0	0	0	112.4	I260 V261 L314 L354 F357 A358 K363 V364 W369	I260-V361 HydrophobicContact CG2-CG1 4.1Å; V261-V361 HydrophobicContact CG2-CG1 3.88Å; L314-V361 HydrophobicContact CD1-CG2 4.31Å; L354-V361 HydrophobicContact CB-CG2 4.08Å; L354-V361 HydrophobicContact CD2-CG1 4.37Å; L354-V361 HydrophobicContact CD2-CG2 3.5Å; L354-V361 HydrophobicContact CG-CG2 4.4Å; L354-V361 WeakPolarHBondContact O-CG2 3.49Å; F357-V361 WeakPolarHBondContact O-CG2 3.43Å; F357-V361 PolarHBondContact O-N 3.05Å; A358-V361 PolarHBondContact O-N 3.29Å; V361-K363 PolarHBondContact O-N 3.1Å; V361-K363 VanDerWaalsContact O-N 3.11Å; V361-V364 WeakPolarHBondContact O-CB 3.49Å; V361-V364 PolarHBondContact O-N 2.97Å; V361-V364 VanDerWaalsContact O-N 3.15Å; V361-W369 HydrophobicContact CG1-CH2 3.88Å; V361-W369 HydrophobicContact CG1-CZ2 4.14Å
362	S	96.3	Very high	96.4	Very high	83 Å²	83	35 Å²	35	58%	0.58	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.4	176.7	78.7	0	0	0	0	114.3	A358 S359 T360	A358-S362 PolarHBondContact O-N 2.83Å; S359-S362 PolarHBondContact O-N 3.08Å; S359-S362 PolarHBondContact O-OG 3.29Å; T360-S362 PolarHBondContact O-N 3.31Å
363	K	97.1	Very high	96.4	Very high	94 Å²	94	33.9 Å²	33.9	41%	0.409	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-2.8	-179.8	-53.4	-52.5	-176.5	112.5	0	113.5	F317 E319 T360 V361 P365	F317-K363 HydrophobicContact CB-CB 4.43Å; E319-K363 IonicContact OE1-NZ 3.23Å; E319-K363 PolarHBondContact OE1-NZ 3.24Å; E319-K363 WeakPolarHBondContact OE2-CE 3.36Å; E319-K363 IonicContact OE2-NZ 3.26Å; E319-K363 PolarHBondContact OE2-NZ 3.18Å; T360-K363 PolarHBondContact O-N 2.85Å; V361-K363 PolarHBondContact O-N 3.1Å; V361-K363 VanDerWaalsContact O-N 3.11Å; K363-P365 WeakPolarHBondContact O-CD 3.45Å
364	V	97.4	Very high	96.1	Very high	16 Å²	16	35.6 Å²	35.6	10%	0.097	20%	0.204	C	C	.	.			trans	-72.6	120	-178	176.8	0	0	0	0	109.8	L314 F317 V361 A368 W369 L372	L314-V364 HydrophobicContact CD1-CG2 3.69Å; F317-V364 HydrophobicContact CB-CG2 4.23Å; F317-V364 HydrophobicContact CD2-CG2 3.94Å; F317-V364 HydrophobicContact CG-CG2 4.17Å; V361-V364 WeakPolarHBondContact O-CB 3.49Å; V361-V364 PolarHBondContact O-N 2.97Å; V361-V364 VanDerWaalsContact O-N 3.15Å; V364-A368 HydrophobicContact CG1-CB 3.81Å; V364-W369 HydrophobicContact CB-CZ2 4.06Å; V364-W369 HydrophobicContact CG1-CD2 4.26Å; V364-W369 HydrophobicContact CG1-CZ2 3.89Å; V364-L372 HydrophobicContact CG1-CD1 3.6Å; V364-L372 HydrophobicContact CG2-CD1 4.37Å
365	P	96.3	Very high	95.9	Very high	48 Å²	48	37.9 Å²	37.9	31%	0.312	22%	0.218	S	C	.	.			trans	-69.7	156.7	175.8	30.9	-34.8	0	0	0	111	F317 K363 E367 A368	F317-P365 HydrophobicContact CE1-CG 3.67Å; F317-P365 HydrophobicContact CZ-CG 3.96Å; K363-P365 WeakPolarHBondContact O-CD 3.45Å; P365-E367 PolarHBondContact O-N 3.4Å; P365-A368 HydrophobicContact CG-CB 3.97Å; P365-A368 PolarHBondContact O-N 2.79Å
366	L	96.3	Very high	95.8	Very high	46 Å²	46	32.6 Å²	32.6	24%	0.241	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-59.2	-34.9	-173.8	-69.6	179.9	0	0	0	112.8	I175 W177 I263 F292 A368	I175-L366 HydrophobicContact CD1-CB 3.54Å; W177-L366 HydrophobicContact CH2-CD1 3.97Å; W177-L366 HydrophobicContact CZ2-CD1 3.71Å; I263-L366 HydrophobicContact CG1-CD2 4.34Å; I263-L366 HydrophobicContact CG2-CD2 4.42Å; F292-L366 HydrophobicContact CD2-CD2 4.39Å; F292-L366 HydrophobicContact CE1-CD2 4.24Å; F292-L366 HydrophobicContact CE2-CB 3.91Å; F292-L366 HydrophobicContact CE2-CD1 3.96Å; F292-L366 HydrophobicContact CE2-CD2 3.76Å; F292-L366 HydrophobicContact CE2-CG 4.08Å; F292-L366 HydrophobicContact CZ-CB 3.68Å; F292-L366 HydrophobicContact CZ-CD2 3.67Å; F292-L366 HydrophobicContact CZ-CG 4.13Å; L366-A368 VanDerWaalsContact C-N 3.29Å; L366-A368 PolarHBondContact O-N 3.43Å
367	E	95.6	Very high	95.5	Very high	55 Å²	55	35 Å²	35	26%	0.257	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-64.9	-29.5	178.9	-65.9	76.7	-172.2	0	0	113.1	P171 Y173 I175 P365 W369 F370	P171-E367 HydrophobicContact CB-CB 3.7Å; P171-E367 HydrophobicContact CG-CB 4.03Å; Y173-E367 WeakPolarHBondContact O-CB 3.48Å; Y173-E367 WeakPolarHBondContact O-CG 3.08Å; I175-E367 HydrophobicContact CD1-CG 4.35Å; I175-E367 HydrophobicContact CG1-CG 4.18Å; P365-E367 PolarHBondContact O-N 3.4Å; E367-W369 VanDerWaalsContact C-N 3.28Å; E367-W369 PolarHBondContact O-N 3.29Å; E367-F370 WeakPolarHBondContact O-CD2 3.43Å
368	A	96.4	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-73.9	-20.2	-174.9	0	0	0	0	0	113.2	Y169 F317 V364 P365 L366 F370 D371 L372	Y169-A368 HydrophobicContact CE1-CB 4.42Å; Y169-A368 VanDerWaalsContact OH-CA 3.29Å; Y169-A368 WeakPolarHBondContact OH-CA 3.33Å; Y169-A368 WeakPolarHBondContact OH-CB 3.3Å; F317-A368 HydrophobicContact CE2-CB 3.86Å; F317-A368 HydrophobicContact CZ-CB 3.63Å; V364-A368 HydrophobicContact CG1-CB 3.81Å; P365-A368 HydrophobicContact CG-CB 3.97Å; P365-A368 PolarHBondContact O-N 2.79Å; L366-A368 VanDerWaalsContact C-N 3.29Å; L366-A368 PolarHBondContact O-N 3.43Å; A368-F370 PolarHBondContact O-N 3.33Å; A368-D371 PolarHBondContact O-N 3.14Å; A368-L372 HydrophobicContact CB-CD1 4.36Å; A368-L372 PolarHBondContact O-N 3.29Å
369	W	96.4	Very high	95.3	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-27.3	179.5	-68.3	107.2	0	0	0	113.5	F257 V261 F292 F300 L354 V361 V364 E367 D371 L372 L373	F257-W369 HydrophobicContact CE2-CE3 4.31Å; F257-W369 HydrophobicContact CE2-CH2 4.37Å; F257-W369 AromaticContact CE2-CZ3 3.98Å; F257-W369 HydrophobicContact CE2-CZ3 3.98Å; F257-W369 HydrophobicContact CZ-CE3 4.29Å; F257-W369 HydrophobicContact CZ-CH2 4.47Å; F257-W369 HydrophobicContact CZ-CZ3 4.26Å; V261-W369 HydrophobicContact CB-CH2 4.44Å; V261-W369 HydrophobicContact CB-CZ2 4.2Å; V261-W369 HydrophobicContact CG1-CH2 4.12Å; V261-W369 HydrophobicContact CG1-CZ2 3.43Å; V261-W369 VanDerWaalsContact CG1-CZ2 3.43Å; V261-W369 HydrophobicContact CG2-CH2 3.42Å; V261-W369 VanDerWaalsContact CG2-CH2 3.42Å; V261-W369 HydrophobicContact CG2-CZ2 3.63Å; V261-W369 HydrophobicContact CG2-CZ3 4.3Å; F292-W369 HydrophobicContact CE1-CB 4.37Å; F292-W369 HydrophobicContact CE1-CG 4.41Å; F300-W369 HydrophobicContact CE2-CB 4.18Å; F300-W369 HydrophobicContact CZ-CB 4.04Å; L354-W369 HydrophobicContact CD1-CH2 4.03Å; L354-W369 HydrophobicContact CD1-CZ3 3.79Å; L354-W369 HydrophobicContact CD2-CH2 3.82Å; L354-W369 HydrophobicContact CD2-CZ3 3.81Å; L354-W369 HydrophobicContact CG-CZ3 4.48Å; V361-W369 HydrophobicContact CG1-CH2 3.88Å; V361-W369 HydrophobicContact CG1-CZ2 4.14Å; V364-W369 HydrophobicContact CB-CZ2 4.06Å; V364-W369 HydrophobicContact CG1-CD2 4.26Å; V364-W369 HydrophobicContact CG1-CZ2 3.89Å; E367-W369 VanDerWaalsContact C-N 3.28Å; E367-W369 PolarHBondContact O-N 3.29Å; W369-D371 VanDerWaalsContact C-N 3.25Å; W369-D371 PolarHBondContact O-N 2.86Å; W369-L372 HydrophobicContact CE3-CB 4.45Å; W369-L372 HydrophobicContact CE3-CD1 4.23Å; W369-L372 HydrophobicContact CZ3-CD1 4.39Å; W369-L373 HydrophobicContact CE3-CD1 3.71Å; W369-L373 HydrophobicContact CE3-CG 3.91Å; W369-L373 HydrophobicContact CZ3-CD1 4.24Å; W369-L373 HydrophobicContact CZ3-CG 4.42Å; W369-L373 WeakPolarHBondContact O-CB 3.4Å; W369-L373 PolarHBondContact O-N 3.48Å
370	F	94.5	Very high	95.2	Very high	12 Å²	12	38.3 Å²	38.3	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-67.7	-25	175.3	-65.7	-81.2	0	0	0	113.6	Y173 I175 F270 I272 F285 L290 L295 F300 E367 A368	Y173-F370 HydrophobicContact CD2-CB 3.58Å; Y173-F370 HydrophobicContact CD2-CD1 4.32Å; Y173-F370 AromaticContact CD2-CG 3.9Å; Y173-F370 HydrophobicContact CD2-CG 3.9Å; Y173-F370 HydrophobicContact CE2-CB 4.02Å; I175-F370 HydrophobicContact CD1-CE2 4.31Å; I175-F370 HydrophobicContact CG1-CE2 4.31Å; F270-F370 HydrophobicContact CE2-CE2 4.37Å; F270-F370 AromaticContact CE2-CZ 3.83Å; F270-F370 HydrophobicContact CE2-CZ 3.83Å; F270-F370 HydrophobicContact CZ-CZ 4.14Å; I272-F370 HydrophobicContact CD1-CE1 4.39Å; I272-F370 HydrophobicContact CG2-CE1 4.09Å; I272-F370 HydrophobicContact CG2-CE2 3.99Å; I272-F370 HydrophobicContact CG2-CZ 3.59Å; F285-F370 HydrophobicContact CD1-CD1 4.24Å; F285-F370 HydrophobicContact CD1-CE1 4.18Å; F285-F370 HydrophobicContact CD2-CD1 4.08Å; F285-F370 AromaticContact CE1-CD1 3.9Å; F285-F370 HydrophobicContact CE1-CD1 3.9Å; F285-F370 HydrophobicContact CE1-CE1 4.15Å; F285-F370 AromaticContact CE2-CD1 3.78Å; F285-F370 HydrophobicContact CE2-CD1 3.78Å; F285-F370 HydrophobicContact CG-CD1 4.36Å; F285-F370 HydrophobicContact CG-CE1 4.43Å; F285-F370 AromaticContact CZ-CD1 3.71Å; F285-F370 HydrophobicContact CZ-CD1 3.71Å; F285-F370 HydrophobicContact CZ-CE1 4.41Å; L290-F370 HydrophobicContact CD1-CE1 4.33Å; L295-F370 HydrophobicContact CD1-CE1 3.86Å; L295-F370 HydrophobicContact CD1-CZ 3.66Å; L295-F370 HydrophobicContact CD2-CE1 4.11Å; F300-F370 HydrophobicContact CE1-CD1 4.48Å; F300-F370 HydrophobicContact CZ-CD1 4.46Å; E367-F370 WeakPolarHBondContact O-CD2 3.43Å; A368-F370 PolarHBondContact O-N 3.33Å
371	D	93.5	Very high	95.2	Very high	28 Å²	28	39.5 Å²	39.5	15%	0.15	21%	0.21	C	C	.	.	H	α-helix	trans	-96.7	-33.6	177.8	-60.4	-48.8	0	0	0	112.2	R25 Y169 P171 S172 I313 A368 W369	R25-D371 IonicContact NH2-OD2 3.65Å; Y169-D371 HydrophobicContact CE2-CB 4.15Å; Y169-D371 PolarHBondContact OH-OD2 3.49Å; P171-D371 WeakPolarHBondContact CA-OD2 3.24Å; S172-D371 WeakPolarHBondContact CB-OD1 3.28Å; S172-D371 PolarHBondContact N-OD2 3.05Å; S172-D371 PolarHBondContact OG-OD1 3.04Å; I313-D371 HydrophobicContact CD1-CB 3.72Å; A368-D371 PolarHBondContact O-N 3.14Å; W369-D371 VanDerWaalsContact C-N 3.25Å; W369-D371 PolarHBondContact O-N 2.86Å
372	L	95.7	Very high	95.1	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-69.8	-46.2	177.5	-76.4	165.8	0	0	0	111.7	F310 I313 L314 V364 A368 W369	F310-L372 HydrophobicContact CD2-CB 4.2Å; F310-L372 HydrophobicContact CD2-CD2 3.76Å; F310-L372 WeakPolarHBondContact CD2-O 3.36Å; F310-L372 HydrophobicContact CE2-CB 4.32Å; F310-L372 HydrophobicContact CE2-CD2 3.95Å; F310-L372 HydrophobicContact CG-CD2 4.36Å; F310-L372 WeakPolarHBondContact O-CD2 3.34Å; I313-L372 HydrophobicContact CB-CD2 3.85Å; I313-L372 HydrophobicContact CB-CG 4.45Å; I313-L372 HydrophobicContact CG2-CD2 3.65Å; I313-L372 HydrophobicContact CG2-CG 3.79Å; L314-L372 HydrophobicContact CB-CD2 4.07Å; V364-L372 HydrophobicContact CG1-CD1 3.6Å; V364-L372 HydrophobicContact CG2-CD1 4.37Å; A368-L372 HydrophobicContact CB-CD1 4.36Å; A368-L372 PolarHBondContact O-N 3.29Å; W369-L372 HydrophobicContact CE3-CB 4.45Å; W369-L372 HydrophobicContact CE3-CD1 4.23Å; W369-L372 HydrophobicContact CZ3-CD1 4.39Å
373	L	95.6	Very high	95.2	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	19%	0.185	C	C	.	.	S	Bend	trans	-100	123.3	-172.9	-57.7	-179.1	0	0	0	111.3	F257 F300 L302 V350 W369	F257-L373 HydrophobicContact CE2-CD1 3.89Å; F257-L373 HydrophobicContact CZ-CD1 4.34Å; F300-L373 HydrophobicContact CB-CB 4Å; F300-L373 HydrophobicContact CB-CD1 3.84Å; F300-L373 HydrophobicContact CD1-CB 3.6Å; F300-L373 HydrophobicContact CD1-CD1 4.27Å; F300-L373 HydrophobicContact CD2-CB 4.43Å; F300-L373 HydrophobicContact CD2-CD1 3.55Å; F300-L373 HydrophobicContact CE1-CB 4.13Å; F300-L373 HydrophobicContact CE2-CD1 4.09Å; F300-L373 HydrophobicContact CG-CB 3.78Å; F300-L373 HydrophobicContact CG-CD1 3.65Å; F300-L373 HydrophobicContact CG-CG 4.37Å; L302-L373 HydrophobicContact CD2-CD1 4.44Å; V350-L373 HydrophobicContact CB-CD2 4.36Å; V350-L373 HydrophobicContact CG1-CD2 4.02Å; V350-L373 HydrophobicContact CG2-CD2 3.48Å; V350-L373 VanDerWaalsContact CG2-CD2 3.48Å; W369-L373 HydrophobicContact CE3-CD1 3.71Å; W369-L373 HydrophobicContact CE3-CG 3.91Å; W369-L373 HydrophobicContact CZ3-CD1 4.24Å; W369-L373 HydrophobicContact CZ3-CG 4.42Å; W369-L373 WeakPolarHBondContact O-CB 3.4Å; W369-L373 PolarHBondContact O-N 3.48Å
374	G	92.5	Very high	95.3	Very high	37 Å²	37	31.4 Å²	31.4	38%	0.381	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-66.8	162.2	167.9	0	0	0	0	0	111.5	F300 D301	F300-G374 CarbonylContact C-O 3.52Å; F300-G374 WeakPolarHBondContact CA-O 3.36Å; D301-G374 PolarHBondContact N-O 2.9Å
375	T	93	Very high	95.3	Very high	47 Å²	47	30.7 Å²	30.7	29%	0.288	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-87.5	146.4	175.4	59.7	0	0	0	0	111.9	F285 V299 R377	F285-T375 HydrophobicContact CE1-CG2 4.04Å; F285-T375 HydrophobicContact CE2-CG2 4.49Å; F285-T375 HydrophobicContact CZ-CG2 3.81Å; V299-T375 HydrophobicContact CG1-CG2 3.91Å; V299-T375 CarbonylContact O-C 3.57Å; V299-T375 WeakPolarHBondContact O-CA 3.37Å; T375-R377 PolarHBondContact O-N 3.36Å
376	I	94.3	Very high	95.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-54.1	124.6	172.4	-64.8	176.2	0	0	0	109.2	Q246 P247 V299 F300 D301 L413	Q246-I376 PolarHBondContact NE2-O 3.02Å; P247-I376 HydrophobicContact CG-CG2 3.54Å; V299-I376 PolarHBondContact O-N 3.02Å; F300-I376 WeakPolarHBondContact O-CG1 3.18Å; D301-I376 HydrophobicContact CB-CG1 4.22Å; I376-L413 HydrophobicContact CD1-CD2 4.29Å; I376-L413 HydrophobicContact CG1-CD2 4.19Å; I376-L413 HydrophobicContact CG2-CD2 3.83Å
377	R	90.6	Very high	95.3	Very high	126 Å²	126	30 Å²	30	48%	0.475	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-81.8	135.8	174.1	-65.2	-168.8	-174.3	131.6	13.8	111	E12 T13 T375	E12-R377 PolarHBondContact O-NE 3.48Å; E12-R377 PolarHBondContact O-NH1 2.91Å; E12-R377 PolarHBondContact O-NH2 3.26Å; T13-R377 PolarHBondContact O-NH2 2.92Å; T375-R377 PolarHBondContact O-N 3.36Å
378	P	93.1	Very high	95.2	Very high	53 Å²	53	31.2 Å²	31.2	34%	0.344	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-59.8	152.4	167.5	-16.3	27.7	0	0	0	111	V244 I245 W430	V244-P378 HydrophobicContact CG1-CB 3.43Å; V244-P378 VanDerWaalsContact CG1-CB 3.43Å; I245-P378 CarbonylContact O-C 3.47Å; I245-P378 VanDerWaalsContact O-CA 3.25Å; I245-P378 WeakPolarHBondContact O-CA 3.44Å; P378-W430 HydrophobicContact CB-CH2 3.58Å; P378-W430 HydrophobicContact CB-CZ2 3.79Å; P378-W430 HydrophobicContact CG-CH2 3.5Å; P378-W430 VanDerWaalsContact CG-CH2 3.5Å; P378-W430 HydrophobicContact CG-CZ2 3.8Å
379	R	94.7	Very high	95.2	Very high	108 Å²	108	33.9 Å²	33.9	41%	0.408	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.7	177.6	-173.6	62.7	-173.2	-174.3	-0.7	111.5	V244 I245 F381 C414	V244-R379 WeakPolarHBondContact CA-O 3.41Å; I245-R379 PolarHBondContact N-O 3.4Å; I245-R379 PolarHBondContact O-N 3.28Å; R379-F381 HydrophobicContact CB-CE2 4.01Å; R379-F381 HydrophobicContact CB-CZ 4.43Å; R379-F381 HydrophobicContact CG-CD2 4.35Å; R379-F381 HydrophobicContact CG-CE1 4.4Å; R379-F381 HydrophobicContact CG-CE2 3.7Å; R379-F381 HydrophobicContact CG-CZ 3.73Å; R379-C414 HydrophobicContact CB-CB 3.86Å; R379-C414 HydrophobicContact CG-CB 4.32Å
380	S	94.4	Very high	95.2	Very high	25 Å²	25	35.3 Å²	35.3	18%	0.175	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	136.7	171.5	-55.6	0	0	0	0	111.5	M243	M243-S380 WeakPolarHBondContact O-CA 3.49Å
381	F	96.8	Very high	95.3	Very high	27 Å²	27	43.2 Å²	43.2	12%	0.118	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.6	167.9	-64.2	-84.2	0	0	0	109	V242 M243 I245 R379 I383 L395 V397 C414 L418	V242-F381 CarbonylContact C-O 3.55Å; V242-F381 VanDerWaalsContact CA-O 3.28Å; V242-F381 WeakPolarHBondContact CA-O 3.48Å; V242-F381 WeakPolarHBondContact CB-O 3.38Å; M243-F381 PolarHBondContact N-O 2.86Å; M243-F381 PolarHBondContact O-N 3.21Å; I245-F381 HydrophobicContact CD1-CD2 4Å; I245-F381 HydrophobicContact CD1-CE2 4.2Å; I245-F381 HydrophobicContact CG1-CD2 4.45Å; R379-F381 HydrophobicContact CB-CE2 4.01Å; R379-F381 HydrophobicContact CB-CZ 4.43Å; R379-F381 HydrophobicContact CG-CD2 4.35Å; R379-F381 HydrophobicContact CG-CE1 4.4Å; R379-F381 HydrophobicContact CG-CE2 3.7Å; R379-F381 HydrophobicContact CG-CZ 3.73Å; F381-I383 PolarHBondContact O-N 3.31Å; F381-L395 HydrophobicContact CB-CD1 3.86Å; F381-L395 HydrophobicContact CB-CD2 3.95Å; F381-L395 HydrophobicContact CB-CG 4.37Å; F381-L395 HydrophobicContact CD2-CD1 4.22Å; F381-L395 HydrophobicContact CG-CD1 4.21Å; F381-V397 HydrophobicContact CD1-CG2 3.92Å; F381-V397 HydrophobicContact CE1-CB 4.35Å; F381-V397 HydrophobicContact CE1-CG1 3.8Å; F381-V397 HydrophobicContact CE1-CG2 3.94Å; F381-V397 HydrophobicContact CG-CG2 4.43Å; F381-V397 HydrophobicContact CZ-CG1 4.18Å; F381-V397 HydrophobicContact CZ-CG2 4.45Å; F381-C414 VanDerWaalsContact CE2-SG 3.6Å; F381-L418 HydrophobicContact CE2-CD1 3.92Å; F381-L418 HydrophobicContact CZ-CD1 4.12Å
382	S	97.3	Very high	95.4	Very high	12 Å²	12	44.2 Å²	44.2	8%	0.084	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	132.6	173.3	-36.5	0	0	0	0	110.1	A384 S455 E586	S382-A384 PolarHBondContact O-N 3.31Å; S382-S455 WeakPolarHBondContact O-CB 3.37Å; S382-E586 WeakPolarHBondContact CB-OE1 3.44Å; S382-E586 PolarHBondContact OG-OE1 3.34Å
383	I	98.1	Very high	95.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-69.8	132.5	179.1	-62.3	168.1	0	0	0	108.7	Y237 D241 M243 F381 S385 L393 L395 I431 S455 S459	Y237-I383 HydrophobicContact CD2-CD1 3.9Å; Y237-I383 HydrophobicContact CD2-CG2 3.85Å; Y237-I383 HydrophobicContact CE2-CG2 3.65Å; Y237-I383 HydrophobicContact CG-CD1 3.94Å; D241-I383 HydrophobicContact CB-CD1 3.98Å; D241-I383 WeakPolarHBondContact O-CB 3.38Å; D241-I383 WeakPolarHBondContact O-CG1 3.24Å; D241-I383 PolarHBondContact O-N 3.12Å; M243-I383 HydrophobicContact CB-CG1 4.23Å; F381-I383 PolarHBondContact O-N 3.31Å; I383-S385 WeakPolarHBondContact CG2-OG 3.36Å; I383-L393 HydrophobicContact CD1-CD1 3.85Å; I383-L393 HydrophobicContact CG1-CD1 4.11Å; I383-L393 HydrophobicContact CG1-CD2 4.41Å; I383-L393 HydrophobicContact CG1-CG 4.39Å; I383-L393 HydrophobicContact CG2-CD1 4.42Å; I383-L393 HydrophobicContact CG2-CD2 4.41Å; I383-L393 HydrophobicContact CG2-CG 4.01Å; I383-L395 HydrophobicContact CG1-CD2 4.31Å; I383-I431 HydrophobicContact CD1-CD1 4.12Å; I383-I431 HydrophobicContact CD1-CG2 4.39Å; I383-S455 CarbonylContact O-C 3.56Å; I383-S459 WeakPolarHBondContact O-CB 3.23Å
384	A	98.3	Very high	95.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.			trans	-101.2	-17	-178.6	0	0	0	0	0	113.5	S382 E394 I396 S455 R458 S459	S382-A384 PolarHBondContact O-N 3.31Å; A384-E394 WeakPolarHBondContact CB-O 3.44Å; A384-E394 PolarHBondContact N-O 2.85Å; A384-I396 HydrophobicContact CB-CD1 4.04Å; A384-I396 HydrophobicContact CB-CG1 3.76Å; A384-S455 WeakPolarHBondContact CA-O 3.33Å; A384-R458 WeakPolarHBondContact O-CG 3.38Å; A384-R458 PolarHBondContact O-NH1 2.8Å; A384-S459 PolarHBondContact O-N 3.05Å
385	S	98.2	Very high	96	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-89.6	167.7	176	58.8	0	0	0	0	112.3	Y237 I383 L393 E394 S459	Y237-S385 PolarHBondContact OH-OG 3.46Å; I383-S385 WeakPolarHBondContact CG2-OG 3.36Å; S385-L393 WeakPolarHBondContact OG-CA 3.42Å; S385-E394 PolarHBondContact OG-N 3.02Å; S385-S459 WeakPolarHBondContact O-CB 3.39Å; S385-S459 PolarHBondContact O-OG 3.36Å
386	C	96.8	Very high	96.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.			trans	-124.5	126.4	169.3	164.3	0	0	0	0	109.1	N388 T389 H390 H462	C386-N388 PolarHBondContact O-N 3.24Å; C386-T389 WeakPolarHBondContact CB-OG1 3.44Å; C386-T389 PolarHBondContact O-N 2.84Å; C386-T389 PolarHBondContact O-OG1 2.89Å; C386-T389 VanDerWaalsContact O-OG1 3.12Å; C386-H390 PolarHBondContact N-ND1 3.39Å; C386-H390 PolarHBondContact O-N 3Å; C386-H390 PolarHBondContact O-ND1 3.42Å; C386-H462 HydrophobicContact CB-CB 3.64Å
387	I	95.5	Very high	96.5	Very high	79 Å²	79	41.1 Å²	41.1	41%	0.405	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.2	-176.1	-162.4	167.9	0	0	0	113.7	Y237	Y237-I387 HydrophobicContact CD1-CD1 4.21Å; Y237-I387 HydrophobicContact CE1-CB 4.05Å; Y237-I387 HydrophobicContact CE1-CD1 4.19Å; Y237-I387 HydrophobicContact CE1-CG1 4.13Å; Y237-I387 HydrophobicContact CE2-CB 4.09Å; Y237-I387 PolarHBondContact OH-N 2.82Å
388	N	94.5	Very high	96.8	Very high	81 Å²	81	36 Å²	36	43%	0.433	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.3	179.1	-56.1	100	0	0	0	114.1	C386	C386-N388 PolarHBondContact O-N 3.24Å
389	T	95.5	Very high	97	Very high	56 Å²	56	34.5 Å²	34.5	34%	0.344	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-15.8	-170.4	53.8	0	0	0	0	114.1	C386 H466	C386-T389 WeakPolarHBondContact CB-OG1 3.44Å; C386-T389 PolarHBondContact O-N 2.84Å; C386-T389 PolarHBondContact O-OG1 2.89Å; C386-T389 VanDerWaalsContact O-OG1 3.12Å; T389-H466 HydrophobicContact CG2-CB 3.73Å
390	H	96.9	Very high	97.1	Very high	32 Å²	32	32.7 Å²	32.7	15%	0.148	17%	0.174	C	C	.	.			trans	-119.8	138.3	179.3	-61.5	70.2	0	0	0	109.4	C386 H392 E394 R458 H462	C386-H390 PolarHBondContact N-ND1 3.39Å; C386-H390 PolarHBondContact O-N 3Å; C386-H390 PolarHBondContact O-ND1 3.42Å; H390-H392 VanDerWaalsContact C-N 3.35Å; H390-H392 WeakPolarHBondContact CB-O 3.44Å; H390-E394 IonicContact CD2-OE2 2.65Å; H390-E394 PolarHBondContact CD2-OE2 3.2Å; H390-E394 VanDerWaalsContact CD2-OE2 3.26Å; H390-E394 IonicContact NE2-OE2 3.83Å; H390-E394 PolarHBondContact NE2-OE2 2.86Å; H390-R458 PolarHBondContact NE2-NH1 3.22Å; H390-R458 PolarHBondContact NE2-NH2 2.78Å; H390-R458 VanDerWaalsContact NE2-NH2 3.19Å; H390-H462 AromaticContact CE1-CD2 3.64Å; H390-H462 AromaticContact CE1-CE1 3.56Å; H390-H462 AromaticContact CE1-CG 3.54Å; H390-H462 AromaticContact CE1-ND1 3.48Å; H390-H462 PolarHBondContact CE1-ND1 3.02Å; H390-H462 AromaticContact CE1-NE2 3.69Å; H390-H462 AromaticContact NE2-CE1 3.96Å; H390-H462 AromaticContact NE2-NE2 3.96Å
391	E	95.3	Very high	97.2	Very high	178 Å²	178	38.4 Å²	38.4	83%	0.832	20%	0.196	S	C	*	.	S	Bend	trans	-71.8	-31.5	174.5	-172.8	175.3	175.8	0	0	112.1
392	H	97.4	Very high	97	Very high	49 Å²	49	41.4 Å²	41.4	23%	0.227	21%	0.207	C	C	.	.	S	Bend	trans	-119.2	154.5	-177.9	-55.5	-50.3	0	0	0	111.6	H390	H390-H392 VanDerWaalsContact C-N 3.35Å; H390-H392 WeakPolarHBondContact CB-O 3.44Å
393	L	98.3	Very high	96.8	Very high	4 Å²	4	50 Å²	50	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.6	170.7	-177.3	159	0	0	0	109.1	S228 F229 L231 Y237 M243 I383 S385 L395 I431	S228-L393 CarbonylContact C-O 3.56Å; S228-L393 VanDerWaalsContact CA-O 3.29Å; S228-L393 WeakPolarHBondContact CA-O 3.42Å; F229-L393 HydrophobicContact CD2-CD2 4.17Å; F229-L393 PolarHBondContact N-O 3.49Å; F229-L393 PolarHBondContact O-N 3.2Å; L231-L393 HydrophobicContact CD1-CB 4.46Å; L231-L393 HydrophobicContact CD1-CD1 3.87Å; Y237-L393 HydrophobicContact CD1-CD1 4.06Å; Y237-L393 HydrophobicContact CE1-CB 4.16Å; Y237-L393 HydrophobicContact CE1-CD1 4.09Å; Y237-L393 HydrophobicContact CE1-CG 4.3Å; Y237-L393 HydrophobicContact CG-CD1 4.48Å; M243-L393 HydrophobicContact CB-CD2 4.46Å; M243-L393 HydrophobicContact SD-CD1 4.15Å; M243-L393 HydrophobicContact SD-CD2 3.53Å; M243-L393 VanDerWaalsContact SD-CD2 3.53Å; I383-L393 HydrophobicContact CD1-CD1 3.85Å; I383-L393 HydrophobicContact CG1-CD1 4.11Å; I383-L393 HydrophobicContact CG1-CD2 4.41Å; I383-L393 HydrophobicContact CG1-CG 4.39Å; I383-L393 HydrophobicContact CG2-CD1 4.42Å; I383-L393 HydrophobicContact CG2-CD2 4.41Å; I383-L393 HydrophobicContact CG2-CG 4.01Å; S385-L393 WeakPolarHBondContact OG-CA 3.42Å; L393-L395 HydrophobicContact CD2-CD2 3.72Å; L393-L395 HydrophobicContact CD2-CG 3.87Å; L393-I431 HydrophobicContact CD1-CD1 3.73Å
394	E	98.6	Very high	96.5	Very high	26 Å²	26	51.4 Å²	51.4	12%	0.121	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.6	179.6	-58	-176.7	145.3	0	0	112.4	L226 I227 A384 S385 H390 R458	L226-E394 HydrophobicContact CD1-CB 3.99Å; I227-E394 CarbonylContact O-C 3.57Å; I227-E394 WeakPolarHBondContact O-CA 3.23Å; A384-E394 WeakPolarHBondContact CB-O 3.44Å; A384-E394 PolarHBondContact N-O 2.85Å; S385-E394 PolarHBondContact OG-N 3.02Å; H390-E394 IonicContact CD2-OE2 2.65Å; H390-E394 PolarHBondContact CD2-OE2 3.2Å; H390-E394 VanDerWaalsContact CD2-OE2 3.26Å; H390-E394 IonicContact NE2-OE2 3.83Å; H390-E394 PolarHBondContact NE2-OE2 2.86Å; E394-R458 IonicContact OE2-CZ 3.07Å; E394-R458 IonicContact OE2-NH1 3.83Å; E394-R458 PolarHBondContact OE2-NH1 3.17Å; E394-R458 IonicContact OE2-NH2 3.32Å; E394-R458 PolarHBondContact OE2-NH2 3.21Å
395	L	98.7	Very high	96	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138	172.6	-58.8	-177.1	0	0	0	110.6	L226 I227 F229 M243 I245 F381 I383 L393 V397	L226-L395 WeakPolarHBondContact CA-O 3.35Å; I227-L395 PolarHBondContact N-O 2.85Å; I227-L395 PolarHBondContact O-N 3.39Å; F229-L395 HydrophobicContact CD2-CD1 4.38Å; F229-L395 HydrophobicContact CD2-CG 4.3Å; F229-L395 HydrophobicContact CE2-CB 4.28Å; F229-L395 HydrophobicContact CE2-CD1 3.63Å; F229-L395 HydrophobicContact CE2-CG 3.84Å; F229-L395 HydrophobicContact CZ-CD1 4.19Å; M243-L395 HydrophobicContact CB-CD1 4.31Å; M243-L395 HydrophobicContact CB-CD2 4.02Å; M243-L395 HydrophobicContact SD-CD1 3.85Å; M243-L395 HydrophobicContact SD-CD2 4.5Å; M243-L395 HydrophobicContact SD-CG 4.32Å; I245-L395 HydrophobicContact CD1-CD1 3.66Å; F381-L395 HydrophobicContact CB-CD1 3.86Å; F381-L395 HydrophobicContact CB-CD2 3.95Å; F381-L395 HydrophobicContact CB-CG 4.37Å; F381-L395 HydrophobicContact CD2-CD1 4.22Å; F381-L395 HydrophobicContact CG-CD1 4.21Å; I383-L395 HydrophobicContact CG1-CD2 4.31Å; L393-L395 HydrophobicContact CD2-CD2 3.72Å; L393-L395 HydrophobicContact CD2-CG 3.87Å; L395-V397 HydrophobicContact CB-CG2 3.96Å
396	I	98.4	Very high	95.5	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	111.9	166.4	-52	171.8	0	0	0	108.8	I215 V224 R225 L226 A384 T452 S455 L486	I215-I396 HydrophobicContact CD1-CG2 4.17Å; V224-I396 HydrophobicContact CG1-CG2 3.38Å; R225-I396 CarbonylContact O-C 3.44Å; R225-I396 VanDerWaalsContact O-CA 3.31Å; R225-I396 WeakPolarHBondContact O-CA 3.33Å; L226-I396 HydrophobicContact CD1-CG1 3.89Å; A384-I396 HydrophobicContact CB-CD1 4.04Å; A384-I396 HydrophobicContact CB-CG1 3.76Å; I396-T452 HydrophobicContact CG2-CG2 4.02Å; I396-S455 VanDerWaalsContact CB-OG 3.3Å; I396-S455 WeakPolarHBondContact CB-OG 3.42Å; I396-L486 HydrophobicContact CG2-CD1 4.08Å
397	V	98.2	Very high	94.9	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.012	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.1	-172.4	180	0	0	0	0	110.1	V224 R225 I227 F381 L395	V224-V397 WeakPolarHBondContact CA-O 3.49Å; R225-V397 PolarHBondContact N-O 3.09Å; R225-V397 PolarHBondContact O-N 2.76Å; I227-V397 HydrophobicContact CD1-CB 4.3Å; I227-V397 HydrophobicContact CD1-CG2 4.08Å; F381-V397 HydrophobicContact CD1-CG2 3.92Å; F381-V397 HydrophobicContact CE1-CB 4.35Å; F381-V397 HydrophobicContact CE1-CG1 3.8Å; F381-V397 HydrophobicContact CE1-CG2 3.94Å; F381-V397 HydrophobicContact CG-CG2 4.43Å; F381-V397 HydrophobicContact CZ-CG1 4.18Å; F381-V397 HydrophobicContact CZ-CG2 4.45Å; L395-V397 HydrophobicContact CB-CG2 3.96Å
398	A	97.5	Very high	94.7	Very high	19 Å²	19	67.3 Å²	67.3	16%	0.157	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.4	166.2	0	0	0	0	0	110	V224 V400 S415 T452	V224-A398 HydrophobicContact CG2-CB 4.27Å; A398-V400 PolarHBondContact O-N 3.03Å; A398-S415 WeakPolarHBondContact O-CB 3.45Å; A398-T452 HydrophobicContact CB-CG2 3.73Å
399	V	98.1	Very high	94.7	Very high	21 Å²	21	65.9 Å²	65.9	13%	0.127	34%	0.339	C	S	.	.			trans	-72.6	112.3	175.5	-172.5	0	0	0	0	109.1	D223 R225 K401 A419	D223-V399 HydrophobicContact CB-CB 4.08Å; D223-V399 HydrophobicContact CB-CG2 4.04Å; D223-V399 PolarHBondContact O-N 3.2Å; R225-V399 HydrophobicContact CG-CG2 4.27Å; V399-K401 PolarHBondContact O-N 2.96Å; V399-A419 HydrophobicContact CG1-CB 4.28Å; V399-A419 HydrophobicContact CG2-CB 3.73Å
400	V	96.6	Very high	94.6	Very high	69 Å²	69	64 Å²	64	42%	0.418	33%	0.325	S	S	.	.			trans	-80.1	114.9	-175.8	178	0	0	0	0	109.4	A398 Y402 G412 S415 N416	A398-V400 PolarHBondContact O-N 3.03Å; V400-Y402 HydrophobicContact CG1-CD1 4.06Å; V400-Y402 HydrophobicContact CG1-CE1 4.3Å; V400-G412 PolarHBondContact O-N 3.23Å; V400-S415 PolarHBondContact N-OG 3.17Å; V400-N416 PolarHBondContact O-ND2 3.42Å
401	K	95.5	Very high	94.6	Very high	146 Å²	146	64.6 Å²	64.6	64%	0.635	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	126.1	171.4	179.1	175.7	-179.2	178.8	0	109.2	V399 P409 R410 L411	V399-K401 PolarHBondContact O-N 2.96Å; K401-P409 HydrophobicContact CG-CB 4.42Å; K401-R410 WeakPolarHBondContact CA-O 3.36Å; K401-L411 HydrophobicContact CB-CD2 4.16Å; K401-L411 HydrophobicContact CD-CD2 4.14Å; K401-L411 HydrophobicContact CG-CD2 3.85Å
402	Y	94.1	Very high	94.6	Very high	90 Å²	90	57.1 Å²	57.1	35%	0.353	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.1	178.6	64.4	-83.1	0	0	0	111.4	R347 V400 R410	R347-Y402 HydrophobicContact CG-CE2 4.26Å; R347-Y402 PolarHBondContact NE-OH 2.82Å; V400-Y402 HydrophobicContact CG1-CD1 4.06Å; V400-Y402 HydrophobicContact CG1-CE1 4.3Å; Y402-R410 HydrophobicContact CD1-CB 3.98Å; Y402-R410 HydrophobicContact CD2-CB 4.06Å; Y402-R410 HydrophobicContact CD2-CG 4.28Å; Y402-R410 HydrophobicContact CE1-CB 3.54Å; Y402-R410 HydrophobicContact CE1-CG 4.44Å; Y402-R410 HydrophobicContact CE2-CB 3.64Å; Y402-R410 HydrophobicContact CE2-CG 3.68Å; Y402-R410 HydrophobicContact CG-CB 4.21Å; Y402-R410 PolarHBondContact N-O 2.89Å; Y402-R410 PolarHBondContact O-N 3.06Å
403	K	93.3	Very high	94.7	Very high	191 Å²	191	55.9 Å²	55.9	83%	0.83	30%	0.295	S	S	*	.			trans	-86.6	139.4	172.4	-65.7	-175.8	178	-176	0	109
404	S	90.2	Very high	94.6	Very high	30 Å²	30	56.1 Å²	56.1	21%	0.21	30%	0.297	C	S	.	.			trans	-109.6	-167	168.8	72.7	0	0	0	0	109.9	P346 L406	P346-S404 WeakPolarHBondContact O-CB 3.45Å; P346-S404 PolarHBondContact O-OG 2.68Å; S404-L406 PolarHBondContact O-N 3.35Å; S404-L406 PolarHBondContact OG-N 3.48Å
405	R	88.2	Confident	94.6	Very high	172 Å²	172	55.3 Å²	55.3	65%	0.649	29%	0.294	S	S	*	.	S	Bend	trans	-65	-17.6	171.1	-64.9	-176.5	175.4	169.4	-2.9	112.7	D341 P346	D341-R405 IonicContact OD1-NH1 3.17Å; D341-R405 PolarHBondContact OD1-NH1 2.89Å; P346-R405 HydrophobicContact CB-CB 4.21Å
406	L	87.7	Confident	94.6	Very high	46 Å²	46	56 Å²	56	24%	0.241	30%	0.298	C	S	.	.	S	Bend	trans	-87.7	151.5	175.5	-62.3	175.6	0	0	0	111.2	P346 R348 S404 T408	P346-L406 HydrophobicContact CB-CD1 4.22Å; P346-L406 HydrophobicContact CB-CD2 4.41Å; P346-L406 HydrophobicContact CB-CG 3.92Å; R348-L406 HydrophobicContact CB-CD1 4.35Å; S404-L406 PolarHBondContact O-N 3.35Å; S404-L406 PolarHBondContact OG-N 3.48Å; L406-T408 PolarHBondContact O-N 3.14Å
407	A	84.7	Confident	94.6	Very high	107 Å²	107	56.9 Å²	56.9	88%	0.884	30%	0.3	S	S	*	.	S	Bend	trans	-62.3	-41	-178.2	0	0	0	0	0	112.8
408	T	91.5	Very high	94.6	Very high	88 Å²	88	56.8 Å²	56.8	54%	0.54	30%	0.3	S	S	.	.	S	Bend	trans	-73.9	123.9	-179.2	-57.2	0	0	0	0	110.4	L406 R410	L406-T408 PolarHBondContact O-N 3.14Å; T408-R410 PolarHBondContact O-NE 3.08Å; T408-R410 VanDerWaalsContact O-NE 3.14Å; T408-R410 PolarHBondContact O-NH2 2.77Å
409	P	93.7	Very high	94.7	Very high	51 Å²	51	56.5 Å²	56.5	33%	0.331	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-63.9	146	-179.9	27.7	-35	0	0	0	111.5	K401	K401-P409 HydrophobicContact CG-CB 4.42Å
410	R	94.8	Very high	94.6	Very high	17 Å²	17	61.7 Å²	61.7	6%	0.064	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.3	175.3	-58.3	-58.4	94	175.1	6.2	110	R347 E352 K401 Y402 T408	R347-R410 HydrophobicContact CB-CG 4.17Å; R347-R410 WeakPolarHBondContact O-CD 3.48Å; E352-R410 IonicContact OE1-CZ 3.61Å; E352-R410 VanDerWaalsContact OE1-CZ 3.26Å; E352-R410 IonicContact OE1-NH1 3.88Å; E352-R410 PolarHBondContact OE1-NH1 3.04Å; E352-R410 IonicContact OE1-NH2 3.82Å; E352-R410 PolarHBondContact OE1-NH2 3.05Å; E352-R410 IonicContact OE2-CZ 2.69Å; E352-R410 IonicContact OE2-NH1 3.16Å; E352-R410 PolarHBondContact OE2-NH1 3.33Å; E352-R410 IonicContact OE2-NH2 3.39Å; K401-R410 WeakPolarHBondContact CA-O 3.36Å; Y402-R410 HydrophobicContact CD1-CB 3.98Å; Y402-R410 HydrophobicContact CD2-CB 4.06Å; Y402-R410 HydrophobicContact CD2-CG 4.28Å; Y402-R410 HydrophobicContact CE1-CB 3.54Å; Y402-R410 HydrophobicContact CE1-CG 4.44Å; Y402-R410 HydrophobicContact CE2-CB 3.64Å; Y402-R410 HydrophobicContact CE2-CG 3.68Å; Y402-R410 HydrophobicContact CG-CB 4.21Å; Y402-R410 PolarHBondContact N-O 2.89Å; Y402-R410 PolarHBondContact O-N 3.06Å; T408-R410 PolarHBondContact O-NE 3.08Å; T408-R410 VanDerWaalsContact O-NE 3.14Å; T408-R410 PolarHBondContact O-NH2 2.77Å
411	L	96	Very high	94.7	Very high	45 Å²	45	60.2 Å²	60.2	24%	0.236	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137	178.3	-57.3	-174.6	0	0	0	109	L250 Q303 K401 L413 N416	L250-L411 HydrophobicContact CD1-CD1 3.87Å; Q303-L411 PolarHBondContact OE1-O 2.81Å; K401-L411 HydrophobicContact CB-CD2 4.16Å; K401-L411 HydrophobicContact CD-CD2 4.14Å; K401-L411 HydrophobicContact CG-CD2 3.85Å; L411-L413 PolarHBondContact O-N 3.44Å; L411-N416 HydrophobicContact CB-CB 4.43Å
412	G	96.1	Very high	94.8	Very high	20 Å²	20	56.2 Å²	56.2	21%	0.206	30%	0.299	C	S	.	.			trans	-77.6	117.1	166.6	0	0	0	0	0	109.7	V400 C414 S415 N416	V400-G412 PolarHBondContact O-N 3.23Å; G412-C414 PolarHBondContact O-N 2.9Å; G412-S415 PolarHBondContact O-N 2.91Å; G412-S415 PolarHBondContact O-OG 3.48Å; G412-N416 PolarHBondContact N-ND2 2.88Å; G412-N416 PolarHBondContact O-N 3.09Å; G412-N416 PolarHBondContact O-ND2 3.23Å
413	L	97.6	Very high	95	Very high	23 Å²	23	56 Å²	56	12%	0.12	31%	0.308	C	S	.	.	H	α-helix	trans	-43.8	-66.6	-174.2	177.8	58.9	0	0	0	113.2	P247 K248 I376 L411 S415 N416 W417	P247-L413 HydrophobicContact CB-CG 4.37Å; P247-L413 HydrophobicContact CG-CD2 4.22Å; P247-L413 HydrophobicContact CG-CG 4.31Å; K248-L413 WeakPolarHBondContact O-CD1 2.87Å; I376-L413 HydrophobicContact CD1-CD2 4.29Å; I376-L413 HydrophobicContact CG1-CD2 4.19Å; I376-L413 HydrophobicContact CG2-CD2 3.83Å; L411-L413 PolarHBondContact O-N 3.44Å; L413-S415 PolarHBondContact O-N 2.65Å; L413-N416 PolarHBondContact O-N 2.98Å; L413-W417 VanDerWaalsContact O-CB 3.24Å; L413-W417 WeakPolarHBondContact O-CB 3.45Å; L413-W417 PolarHBondContact O-N 3.32Å
414	C	98.2	Very high	95.3	Very high	10 Å²	10	48.9 Å²	48.9	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-46.5	-174.2	-171.6	0	0	0	0	112.7	P247 R379 F381 G412 N416 W417 L418	P247-C414 HydrophobicContact CB-CB 3.85Å; P247-C414 HydrophobicContact CG-CB 3.9Å; R379-C414 HydrophobicContact CB-CB 3.86Å; R379-C414 HydrophobicContact CG-CB 4.32Å; F381-C414 VanDerWaalsContact CE2-SG 3.6Å; G412-C414 PolarHBondContact O-N 2.9Å; C414-N416 PolarHBondContact O-N 3.27Å; C414-W417 PolarHBondContact O-N 3.41Å; C414-L418 WeakPolarHBondContact O-CB 3.34Å; C414-L418 WeakPolarHBondContact O-CG 3.24Å; C414-L418 PolarHBondContact O-N 3.45Å
415	S	98	Very high	95.7	Very high	8 Å²	8	48.8 Å²	48.8	6%	0.056	29%	0.29	C	S	.	.	H	α-helix	trans	-66.5	-37	-176.7	67.7	0	0	0	0	113.4	A398 V400 G412 L413 A419	A398-S415 WeakPolarHBondContact O-CB 3.45Å; V400-S415 PolarHBondContact N-OG 3.17Å; G412-S415 PolarHBondContact O-N 2.91Å; G412-S415 PolarHBondContact O-OG 3.48Å; L413-S415 PolarHBondContact O-N 2.65Å; S415-A419 VanDerWaalsContact O-CB 3.23Å; S415-A419 WeakPolarHBondContact O-CB 3.33Å; S415-A419 PolarHBondContact O-N 3.18Å
416	N	98.4	Very high	96.1	Very high	15 Å²	15	44.4 Å²	44.4	8%	0.08	28%	0.282	C	S	.	.	H	α-helix	trans	-77.6	-34.9	176.9	-77.8	-93.5	0	0	0	111.6	L250 V400 L411 G412 L413 C414 A419 R420	L250-N416 HydrophobicContact CD1-CB 4.29Å; L250-N416 HydrophobicContact CD2-CB 4.45Å; V400-N416 PolarHBondContact O-ND2 3.42Å; L411-N416 HydrophobicContact CB-CB 4.43Å; G412-N416 PolarHBondContact N-ND2 2.88Å; G412-N416 PolarHBondContact O-N 3.09Å; G412-N416 PolarHBondContact O-ND2 3.23Å; L413-N416 PolarHBondContact O-N 2.98Å; C414-N416 PolarHBondContact O-N 3.27Å; N416-A419 PolarHBondContact O-N 3.32Å; N416-R420 VanDerWaalsContact O-CG 3.31Å; N416-R420 WeakPolarHBondContact O-CG 3.44Å; N416-R420 PolarHBondContact O-N 3.41Å
417	W	98.5	Very high	96.6	Very high	24 Å²	24	42.3 Å²	42.3	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-53.9	172.7	175	71.2	0	0	0	110.3	I245 P247 K248 L250 L413 C414 A419 R420 L421 V427	I245-W417 HydrophobicContact CG2-CZ3 3.73Å; P247-W417 HydrophobicContact CB-CD2 4.25Å; P247-W417 HydrophobicContact CB-CE3 3.77Å; P247-W417 HydrophobicContact CB-CZ3 4.22Å; K248-W417 HydrophobicContact CB-CZ2 4.36Å; K248-W417 HydrophobicContact CD-CZ2 4.34Å; K248-W417 HydrophobicContact CG-CZ2 3.93Å; L250-W417 HydrophobicContact CD2-CB 4Å; L413-W417 VanDerWaalsContact O-CB 3.24Å; L413-W417 WeakPolarHBondContact O-CB 3.45Å; L413-W417 PolarHBondContact O-N 3.32Å; C414-W417 PolarHBondContact O-N 3.41Å; W417-A419 VanDerWaalsContact C-N 3.33Å; W417-A419 PolarHBondContact O-N 2.91Å; W417-R420 PolarHBondContact O-N 3.35Å; W417-L421 HydrophobicContact CD2-CD1 4.24Å; W417-L421 HydrophobicContact CE3-CD1 4.37Å; W417-L421 HydrophobicContact CH2-CD1 4.1Å; W417-L421 HydrophobicContact CZ2-CD1 3.9Å; W417-L421 HydrophobicContact CZ3-CD1 4.3Å; W417-V427 HydrophobicContact CH2-CB 3.7Å; W417-V427 HydrophobicContact CH2-CG1 3.38Å; W417-V427 HydrophobicContact CZ2-CG1 4.15Å; W417-V427 HydrophobicContact CZ3-CB 4.17Å; W417-V427 HydrophobicContact CZ3-CG1 3.81Å
418	L	98.6	Very high	97	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-43.4	175.8	-73.1	174.1	0	0	0	112.4	N212 I227 F229 I245 F381 C414 R420 L421 V427	N212-L418 PolarHBondContact ND2-O 2.89Å; I227-L418 HydrophobicContact CD1-CB 4.02Å; F229-L418 HydrophobicContact CZ-CD2 4.4Å; I245-L418 HydrophobicContact CD1-CD1 3.86Å; I245-L418 HydrophobicContact CD1-CD2 4.24Å; I245-L418 HydrophobicContact CG2-CD2 4.44Å; F381-L418 HydrophobicContact CE2-CD1 3.92Å; F381-L418 HydrophobicContact CZ-CD1 4.12Å; C414-L418 WeakPolarHBondContact O-CB 3.34Å; C414-L418 WeakPolarHBondContact O-CG 3.24Å; C414-L418 PolarHBondContact O-N 3.45Å; L418-R420 PolarHBondContact O-N 2.88Å; L418-R420 VanDerWaalsContact O-N 3.08Å; L418-L421 HydrophobicContact CD2-CD1 4.28Å; L418-L421 PolarHBondContact O-N 2.81Å; L418-L421 VanDerWaalsContact O-N 3.14Å; L418-V427 HydrophobicContact CD2-CG1 4.26Å
419	A	98.1	Very high	97.2	Very high	14 Å²	14	34.1 Å²	34.1	12%	0.116	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-14.4	179.1	0	0	0	0	0	114.3	R225 V399 S415 N416 W417	R225-A419 PolarHBondContact NH1-O 2.94Å; R225-A419 PolarHBondContact NH2-O 3.29Å; V399-A419 HydrophobicContact CG1-CB 4.28Å; V399-A419 HydrophobicContact CG2-CB 3.73Å; S415-A419 VanDerWaalsContact O-CB 3.23Å; S415-A419 WeakPolarHBondContact O-CB 3.33Å; S415-A419 PolarHBondContact O-N 3.18Å; N416-A419 PolarHBondContact O-N 3.32Å; W417-A419 VanDerWaalsContact C-N 3.33Å; W417-A419 PolarHBondContact O-N 2.91Å
420	R	97.6	Very high	97.3	Very high	130 Å²	130	32.7 Å²	32.7	49%	0.491	20%	0.197	S	C	.	.	H	α-helix	trans	-99.9	-10.2	178.3	-68.4	174	-172.4	-160.8	8.4	113.6	E252 N416 W417 L418	E252-R420 IonicContact OE1-CZ 2.71Å; E252-R420 IonicContact OE1-NH1 3.83Å; E252-R420 PolarHBondContact OE1-NH1 3.17Å; E252-R420 IonicContact OE1-NH2 3.2Å; E252-R420 PolarHBondContact OE1-NH2 3.27Å; E252-R420 IonicContact OE2-CZ 3.54Å; E252-R420 IonicContact OE2-NH1 2.7Å; E252-R420 PolarHBondContact OE2-NH1 2.92Å; N416-R420 VanDerWaalsContact O-CG 3.31Å; N416-R420 WeakPolarHBondContact O-CG 3.44Å; N416-R420 PolarHBondContact O-N 3.41Å; W417-R420 PolarHBondContact O-N 3.35Å; L418-R420 PolarHBondContact O-N 2.88Å; L418-R420 VanDerWaalsContact O-N 3.08Å
421	L	98.3	Very high	97.2	Very high	37 Å²	37	32.8 Å²	32.8	19%	0.194	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-79.9	134.3	179.7	-60.9	179.7	0	0	0	111	I209 N212 W417 L418 A425 V427	I209-L421 HydrophobicContact CD1-CB 3.55Å; I209-L421 HydrophobicContact CD1-CD1 3.73Å; I209-L421 HydrophobicContact CD1-CG 4.3Å; N212-L421 PolarHBondContact ND2-O 3.31Å; W417-L421 HydrophobicContact CD2-CD1 4.24Å; W417-L421 HydrophobicContact CE3-CD1 4.37Å; W417-L421 HydrophobicContact CH2-CD1 4.1Å; W417-L421 HydrophobicContact CZ2-CD1 3.9Å; W417-L421 HydrophobicContact CZ3-CD1 4.3Å; L418-L421 HydrophobicContact CD2-CD1 4.28Å; L418-L421 PolarHBondContact O-N 2.81Å; L418-L421 VanDerWaalsContact O-N 3.14Å; L421-A425 HydrophobicContact CB-CB 3.91Å; L421-A425 HydrophobicContact CD1-CB 4.42Å; L421-A425 HydrophobicContact CD2-CB 4.22Å; L421-A425 HydrophobicContact CG-CB 4.4Å; L421-V427 HydrophobicContact CD1-CG1 3.54Å
422	A	97.9	Very high	97	Very high	62 Å²	62	33.3 Å²	33.3	51%	0.512	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-86.9	162.6	173.8	0	0	0	0	0	111.2	A425	A422-A425 WeakPolarHBondContact O-CB 3.39Å; A422-A425 PolarHBondContact O-N 2.84Å; A422-A425 VanDerWaalsContact O-N 3.13Å
423	P	98.5	Very high	96.7	Very high	86 Å²	86	38.2 Å²	38.2	56%	0.558	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.4	140.8	165.2	-29.1	37.7	0	0	0	112.7	I209 V210 A425	I209-P423 CarbonylContact O-C 3.13Å; I209-P423 VanDerWaalsContact O-CA 3.26Å; I209-P423 WeakPolarHBondContact O-CA 3.33Å; V210-P423 WeakPolarHBondContact O-CB 3.44Å; P423-A425 VanDerWaalsContact C-N 3.32Å
424	G	98.2	Very high	96.3	Very high	42 Å²	42	38 Å²	38	43%	0.433	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-12.6	-172.9	0	0	0	0	0	114.6	I209	I209-G424 PolarHBondContact O-N 2.87Å
425	A	98.3	Very high	95.8	Very high	27 Å²	27	40.4 Å²	40.4	22%	0.223	24%	0.237	C	C	.	.			trans	-68.5	138.9	172.3	0	0	0	0	0	110.8	I209 L421 A422 P423	I209-A425 HydrophobicContact CD1-CB 4.41Å; I209-A425 PolarHBondContact N-O 3.3Å; L421-A425 HydrophobicContact CB-CB 3.91Å; L421-A425 HydrophobicContact CD1-CB 4.42Å; L421-A425 HydrophobicContact CD2-CB 4.22Å; L421-A425 HydrophobicContact CG-CB 4.4Å; A422-A425 WeakPolarHBondContact O-CB 3.39Å; A422-A425 PolarHBondContact O-N 2.84Å; A422-A425 VanDerWaalsContact O-N 3.13Å; P423-A425 VanDerWaalsContact C-N 3.32Å
426	V	97.8	Very high	95.6	Very high	80 Å²	80	40.3 Å²	40.3	49%	0.485	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.3	-179.4	-179.4	0	0	0	0	110.1	M206 A207 E208	M206-V426 HydrophobicContact CB-CG1 3.74Å; M206-V426 HydrophobicContact CG-CG1 4.39Å; M206-V426 HydrophobicContact SD-CG1 4.17Å; A207-V426 WeakPolarHBondContact O-CA 3.27Å; E208-V426 HydrophobicContact CB-CG2 4.23Å; E208-V426 HydrophobicContact CG-CG2 4.25Å
427	V	97.2	Very high	95.2	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.9	175.7	-50.8	0	0	0	0	110.5	A207 I209 F229 M243 I245 W417 L418 L421	A207-V427 HydrophobicContact CB-CG2 3.84Å; A207-V427 PolarHBondContact N-O 3.46Å; A207-V427 PolarHBondContact O-N 3.44Å; I209-V427 HydrophobicContact CD1-CG1 4.32Å; F229-V427 HydrophobicContact CD1-CG2 4.16Å; F229-V427 HydrophobicContact CE1-CG2 3.74Å; M243-V427 HydrophobicContact CE-CG2 4.45Å; I245-V427 HydrophobicContact CG2-CG2 4.45Å; W417-V427 HydrophobicContact CH2-CB 3.7Å; W417-V427 HydrophobicContact CH2-CG1 3.38Å; W417-V427 HydrophobicContact CZ2-CG1 4.15Å; W417-V427 HydrophobicContact CZ3-CB 4.17Å; W417-V427 HydrophobicContact CZ3-CG1 3.81Å; L418-V427 HydrophobicContact CD2-CG1 4.26Å; L421-V427 HydrophobicContact CD1-CG1 3.54Å
428	E	94.5	Very high	95	Very high	23 Å²	23	43.9 Å²	43.9	11%	0.107	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.3	171.5	-172	-173.7	155.8	0	0	109.7	P204 M206 Q246 R287	P204-E428 HydrophobicContact CB-CG 3.59Å; P204-E428 VanDerWaalsContact CB-OE1 3.3Å; P204-E428 WeakPolarHBondContact CB-OE1 3.43Å; M206-E428 HydrophobicContact CE-CG 4.47Å; Q246-E428 HydrophobicContact CB-CB 4.36Å; Q246-E428 PolarHBondContact N-O 3.01Å; R287-E428 IonicContact CZ-OE1 2.87Å; R287-E428 IonicContact CZ-OE2 3.33Å; R287-E428 IonicContact NH1-OE2 3.98Å; R287-E428 PolarHBondContact NH1-OE2 3.08Å; R287-E428 IonicContact NH2-OE1 2.87Å; R287-E428 PolarHBondContact NH2-OE1 3.28Å; R287-E428 IonicContact NH2-OE2 3.94Å; R287-E428 PolarHBondContact NH2-OE2 3.44Å
429	A	95.7	Very high	94.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	169.1	-177.4	0	0	0	0	0	112.8	P204 V205 A207 M243 V244 I245	P204-A429 CarbonylContact C-O 2.99Å; P204-A429 VanDerWaalsContact CA-O 3.29Å; P204-A429 WeakPolarHBondContact CA-O 3.18Å; V205-A429 WeakPolarHBondContact CG2-O 3.39Å; V205-A429 PolarHBondContact N-O 3.04Å; V205-A429 PolarHBondContact O-N 2.85Å; A207-A429 HydrophobicContact CB-CB 4.3Å; M243-A429 HydrophobicContact CE-CB 3.23Å; M243-A429 HydrophobicContact CG-CB 4.06Å; M243-A429 HydrophobicContact SD-CB 4.47Å; V244-A429 CarbonylContact O-C 3.53Å; V244-A429 WeakPolarHBondContact O-CA 3.37Å; V244-A429 VanDerWaalsContact O-CB 3.28Å; V244-A429 WeakPolarHBondContact O-CB 3.4Å; I245-A429 HydrophobicContact CG1-CB 4.18Å
430	W	94.3	Very high	93.5	Very high	22 Å²	22	48.3 Å²	48.3	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	160.6	169.4	55.7	97.3	0	0	0	110.3	V244 Q246 P378	V244-W430 HydrophobicContact CB-CD2 4.01Å; V244-W430 HydrophobicContact CB-CG 4.27Å; V244-W430 HydrophobicContact CB-CZ2 3.91Å; V244-W430 HydrophobicContact CG1-CD2 4.34Å; V244-W430 HydrophobicContact CG1-CH2 3.97Å; V244-W430 HydrophobicContact CG1-CZ2 3.32Å; V244-W430 PolarHBondContact N-O 2.91Å; V244-W430 PolarHBondContact O-N 3.48Å; Q246-W430 HydrophobicContact CB-CZ3 4.28Å; P378-W430 HydrophobicContact CB-CH2 3.58Å; P378-W430 HydrophobicContact CB-CZ2 3.79Å; P378-W430 HydrophobicContact CG-CH2 3.5Å; P378-W430 VanDerWaalsContact CG-CH2 3.5Å; P378-W430 HydrophobicContact CG-CZ2 3.8Å
431	I	94	Very high	92.6	Very high	19 Å²	19	48.1 Å²	48.1	10%	0.097	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134	179.7	-52.8	-55.4	0	0	0	109	L231 A235 D241 M243 I383 L393	L231-I431 HydrophobicContact CD1-CD1 4.34Å; A235-I431 HydrophobicContact CB-CG1 4Å; D241-I431 HydrophobicContact CB-CG2 4.06Å; M243-I431 HydrophobicContact CB-CD1 4.17Å; M243-I431 HydrophobicContact CG-CD1 4.18Å; I383-I431 HydrophobicContact CD1-CD1 4.12Å; I383-I431 HydrophobicContact CD1-CG2 4.39Å; L393-I431 HydrophobicContact CD1-CD1 3.73Å
432	K	90.7	Very high	92.1	Very high	56 Å²	56	52.1 Å²	52.1	24%	0.243	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.3	175.6	-179.3	-172.9	175.4	-177.7	0	108.3	D68 V242 V244 G434	D68-K432 IonicContact OD1-NZ 2.68Å; D68-K432 PolarHBondContact OD1-NZ 3.1Å; D68-K432 IonicContact OD2-NZ 3.19Å; D68-K432 PolarHBondContact OD2-NZ 3.34Å; V242-K432 HydrophobicContact CG2-CB 3.89Å; V242-K432 HydrophobicContact CG2-CG 4.49Å; V242-K432 WeakPolarHBondContact CG2-O 3.39Å; V242-K432 PolarHBondContact N-O 3.35Å; V242-K432 PolarHBondContact O-N 3.06Å; V244-K432 HydrophobicContact CG2-CB 3.99Å; V244-K432 HydrophobicContact CG2-CD 4.41Å; K432-G434 PolarHBondContact O-N 2.89Å
433	Q	90.1	Very high	91.9	Very high	123 Å²	123	51.1 Å²	51.1	58%	0.575	30%	0.301	S	S	*	.			trans	-57.6	126.6	168.8	-169.1	178	9.9	0	0	110.3	D241	D241-Q433 WeakPolarHBondContact OD1-CA 3.4Å
434	G	90.2	Very high	91.8	Very high	18 Å²	18	48.1 Å²	48.1	19%	0.186	28%	0.281	C	S	.	.			trans	-80.2	-169.1	174.7	0	0	0	0	0	112.7	G240 K432	G240-G434 WeakPolarHBondContact O-CA 3.39Å; G240-G434 PolarHBondContact O-N 2.83Å; K432-G434 PolarHBondContact O-N 2.89Å
435	S	87.5	Confident	91.8	Very high	61 Å²	61	46.1 Å²	46.1	43%	0.427	26%	0.261	S	S	.	.	S	Bend	trans	-81.5	-31.3	-179.9	44.7	0	0	0	0	113.1	E586	S435-E586 WeakPolarHBondContact OG-CB 3.15Å; S435-E586 VanDerWaalsContact OG-CG 3.23Å; S435-E586 WeakPolarHBondContact OG-CG 3.42Å; S435-E586 PolarHBondContact OG-OE2 3.27Å
436	F	93.2	Very high	91.8	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.022	25%	0.25	C	S	.	.			trans	-75	127.7	177.9	-73	-25.4	0	0	0	112.3	F438 P456 L457 F539 I540 A541 Q584 E586	F436-F438 HydrophobicContact CB-CD2 4.4Å; F436-F438 HydrophobicContact CB-CE1 4.32Å; F436-F438 HydrophobicContact CB-CE2 4.02Å; F436-F438 HydrophobicContact CB-CZ 3.97Å; F436-F438 HydrophobicContact CD2-CE1 4.11Å; F436-F438 HydrophobicContact CD2-CE2 4.2Å; F436-F438 AromaticContact CD2-CZ 3.54Å; F436-F438 HydrophobicContact CD2-CZ 3.54Å; F436-F438 HydrophobicContact CE2-CZ 4.3Å; F436-F438 HydrophobicContact CG-CE1 4.41Å; F436-F438 HydrophobicContact CG-CZ 4.1Å; F436-P456 HydrophobicContact CD2-CB 3.89Å; F436-P456 HydrophobicContact CD2-CG 4.07Å; F436-P456 HydrophobicContact CE2-CB 4.15Å; F436-P456 HydrophobicContact CE2-CG 3.82Å; F436-L457 HydrophobicContact CE2-CD2 4.04Å; F436-F539 HydrophobicContact CB-CD1 4.36Å; F436-F539 HydrophobicContact CB-CE1 4.36Å; F436-F539 AromaticContact CD1-CD1 3.66Å; F436-F539 HydrophobicContact CD1-CD1 3.66Å; F436-F539 HydrophobicContact CD1-CE1 4.26Å; F436-F539 HydrophobicContact CD2-CD1 4.25Å; F436-F539 HydrophobicContact CE1-CB 4.3Å; F436-F539 AromaticContact CE1-CD1 3.85Å; F436-F539 HydrophobicContact CE1-CD1 3.85Å; F436-F539 HydrophobicContact CE2-CB 4.37Å; F436-F539 HydrophobicContact CE2-CD1 4.43Å; F436-F539 AromaticContact CG-CD1 3.86Å; F436-F539 HydrophobicContact CG-CD1 3.86Å; F436-F539 HydrophobicContact CG-CE1 4.34Å; F436-F539 HydrophobicContact CZ-CB 4.02Å; F436-F539 HydrophobicContact CZ-CD1 4.23Å; F436-I540 WeakPolarHBondContact CZ-O 3.46Å; F436-A541 HydrophobicContact CE2-CB 3.9Å; F436-A541 HydrophobicContact CZ-CB 3.96Å; F436-Q584 HydrophobicContact CD1-CB 3.8Å; F436-Q584 HydrophobicContact CE1-CB 3.97Å; F436-Q584 WeakPolarHBondContact CE1-O 3.43Å; F436-E586 HydrophobicContact CD1-CB 3.87Å; F436-E586 HydrophobicContact CD2-CB 3.97Å; F436-E586 WeakPolarHBondContact CD2-OE2 3.31Å; F436-E586 HydrophobicContact CE1-CB 3.48Å; F436-E586 VanDerWaalsContact CE1-CB 3.48Å; F436-E586 VanDerWaalsContact CE1-N 3.3Å; F436-E586 HydrophobicContact CE2-CB 3.59Å; F436-E586 HydrophobicContact CG-CB 4.12Å; F436-E586 WeakPolarHBondContact CG-OE2 3.35Å; F436-E586 HydrophobicContact CZ-CB 3.34Å
437	L	90.9	Very high	91.8	Very high	83 Å²	83	41 Å²	41	44%	0.435	23%	0.227	S	C	.	.			trans	-105	90.4	166.8	-57.9	-174.7	0	0	0	108	M581 Q584	L437-M581 HydrophobicContact CB-CE 4.39Å; L437-M581 HydrophobicContact CD1-CE 3.85Å; L437-M581 HydrophobicContact CG-CE 4.1Å; L437-Q584 PolarHBondContact O-NE2 3.31Å
438	F	93.1	Very high	91.9	Very high	32 Å²	32	41 Å²	41	14%	0.14	23%	0.227	C	C	.	.			trans	-69	138.4	177.2	-69.8	-59.2	0	0	0	111.4	P239 G240 F436 A440 P456 F460 F539	P239-F438 VanDerWaalsContact C-CD2 3.49Å; P239-F438 HydrophobicContact CB-CD2 3.76Å; P239-F438 HydrophobicContact CB-CE2 4.16Å; P239-F438 WeakPolarHBondContact O-CD2 3.29Å; G240-F438 VanDerWaalsContact CA-CE2 3.49Å; F436-F438 HydrophobicContact CB-CD2 4.4Å; F436-F438 HydrophobicContact CB-CE1 4.32Å; F436-F438 HydrophobicContact CB-CE2 4.02Å; F436-F438 HydrophobicContact CB-CZ 3.97Å; F436-F438 HydrophobicContact CD2-CE1 4.11Å; F436-F438 HydrophobicContact CD2-CE2 4.2Å; F436-F438 AromaticContact CD2-CZ 3.54Å; F436-F438 HydrophobicContact CD2-CZ 3.54Å; F436-F438 HydrophobicContact CE2-CZ 4.3Å; F436-F438 HydrophobicContact CG-CE1 4.41Å; F436-F438 HydrophobicContact CG-CZ 4.1Å; F438-A440 PolarHBondContact O-N 3.06Å; F438-P456 HydrophobicContact CZ-CB 4.46Å; F438-F460 HydrophobicContact CB-CD2 3.68Å; F438-F460 HydrophobicContact CB-CE2 3.55Å; F438-F460 HydrophobicContact CB-CG 4.25Å; F438-F460 HydrophobicContact CB-CZ 3.98Å; F438-F460 HydrophobicContact CD1-CB 4.07Å; F438-F460 AromaticContact CD1-CD1 3.34Å; F438-F460 HydrophobicContact CD1-CD1 3.34Å; F438-F460 AromaticContact CD1-CD2 3.82Å; F438-F460 HydrophobicContact CD1-CD2 3.82Å; F438-F460 AromaticContact CD1-CE1 3.53Å; F438-F460 HydrophobicContact CD1-CE1 3.53Å; F438-F460 HydrophobicContact CD1-CE2 4.03Å; F438-F460 AromaticContact CD1-CG 3.48Å; F438-F460 HydrophobicContact CD1-CG 3.48Å; F438-F460 VanDerWaalsContact CD1-CG 3.48Å; F438-F460 AromaticContact CD1-CZ 3.88Å; F438-F460 HydrophobicContact CD1-CZ 3.88Å; F438-F460 HydrophobicContact CD2-CB 3.93Å; F438-F460 AromaticContact CD2-CD2 3.99Å; F438-F460 HydrophobicContact CD2-CD2 3.99Å; F438-F460 AromaticContact CD2-CG 3.96Å; F438-F460 HydrophobicContact CD2-CG 3.96Å; F438-F460 HydrophobicContact CE1-CB 3.86Å; F438-F460 AromaticContact CE1-CD1 3.47Å; F438-F460 HydrophobicContact CE1-CD1 3.47Å; F438-F460 VanDerWaalsContact CE1-CD1 3.47Å; F438-F460 HydrophobicContact CE1-CD2 4.47Å; F438-F460 HydrophobicContact CE1-CE1 4.05Å; F438-F460 AromaticContact CE1-CG 3.7Å; F438-F460 HydrophobicContact CE1-CG 3.7Å; F438-F460 HydrophobicContact CE2-CB 3.68Å; F438-F460 HydrophobicContact CE2-CG 4.13Å; F438-F460 HydrophobicContact CG-CB 4.11Å; F438-F460 AromaticContact CG-CD1 3.98Å; F438-F460 HydrophobicContact CG-CD1 3.98Å; F438-F460 AromaticContact CG-CD2 3.56Å; F438-F460 HydrophobicContact CG-CD2 3.56Å; F438-F460 HydrophobicContact CG-CE1 4.22Å; F438-F460 AromaticContact CG-CE2 3.87Å; F438-F460 HydrophobicContact CG-CE2 3.87Å; F438-F460 AromaticContact CG-CG 3.62Å; F438-F460 HydrophobicContact CG-CG 3.62Å; F438-F460 HydrophobicContact CG-CZ 4.17Å; F438-F460 HydrophobicContact CZ-CB 3.65Å; F438-F460 HydrophobicContact CZ-CD1 4.17Å; F438-F460 HydrophobicContact CZ-CG 4.01Å; F438-F539 AromaticContact CD1-CD1 3.91Å; F438-F539 HydrophobicContact CD1-CD1 3.91Å; F438-F539 HydrophobicContact CD1-CD2 4.21Å; F438-F539 AromaticContact CD1-CE1 3.49Å; F438-F539 HydrophobicContact CD1-CE1 3.49Å; F438-F539 VanDerWaalsContact CD1-CE1 3.49Å; F438-F539 AromaticContact CD1-CE2 3.81Å; F438-F539 HydrophobicContact CD1-CE2 3.81Å; F438-F539 HydrophobicContact CD1-CG 4.26Å; F438-F539 AromaticContact CD1-CZ 3.45Å; F438-F539 HydrophobicContact CD1-CZ 3.45Å; F438-F539 VanDerWaalsContact CD1-CZ 3.45Å; F438-F539 HydrophobicContact CE1-CB 4.49Å; F438-F539 AromaticContact CE1-CD1 3.55Å; F438-F539 HydrophobicContact CE1-CD1 3.55Å; F438-F539 HydrophobicContact CE1-CD2 4.06Å; F438-F539 AromaticContact CE1-CE1 3.65Å; F438-F539 HydrophobicContact CE1-CE1 3.65Å; F438-F539 HydrophobicContact CE1-CE2 4.13Å; F438-F539 AromaticContact CE1-CG 3.77Å; F438-F539 HydrophobicContact CE1-CG 3.77Å; F438-F539 AromaticContact CE1-CZ 3.96Å; F438-F539 HydrophobicContact CE1-CZ 3.96Å; F438-F539 HydrophobicContact CG-CE1 4.43Å; F438-F539 HydrophobicContact CG-CZ 4.43Å; F438-F539 HydrophobicContact CZ-CD1 4.48Å
439	P	86.9	Confident	92	Very high	28 Å²	28	39.9 Å²	39.9	18%	0.182	22%	0.221	C	C	.	.			trans	-66.8	134	-179.6	27.4	-35.1	0	0	0	110.6	V443 V445 F460	P439-V443 HydrophobicContact CB-CG2 3.87Å; P439-V443 HydrophobicContact CG-CG2 3.64Å; P439-V445 HydrophobicContact CG-CG1 4.31Å; P439-F460 HydrophobicContact CG-CZ 4.16Å
440	A	78.8	Confident	92	Very high	78 Å²	78	41.3 Å²	41.3	65%	0.645	23%	0.233	S	C	*	.	S	Bend	trans	-72.1	-22.2	169.9	0	0	0	0	0	112.4	F438 R467	F438-A440 PolarHBondContact O-N 3.06Å; A440-R467 PolarHBondContact O-NH1 3.04Å; A440-R467 VanDerWaalsContact O-NH1 3.15Å
441	I	79.4	Confident	92.1	Very high	127 Å²	127	41.4 Å²	41.4	65%	0.651	24%	0.242	S	C	*	.	S	Bend	trans	-86.4	147.4	179.8	-56	172.6	0	0	0	109.8	V443	I441-V443 HydrophobicContact CB-CG1 4.39Å; I441-V443 HydrophobicContact CG2-CG1 4.05Å; I441-V443 PolarHBondContact O-N 3.15Å
442	E	86.8	Confident	92.2	Very high	120 Å²	120	43 Å²	43	56%	0.561	25%	0.252	S	S	*	.			trans	-76.8	54	-179.4	-54.3	-173	171.2	0	0	113.1	V469	E442-V469 HydrophobicContact CB-CG1 4.19Å; E442-V469 HydrophobicContact CB-CG2 4.3Å; E442-V469 HydrophobicContact CG-CG1 4.49Å; E442-V469 HydrophobicContact CG-CG2 3.69Å
443	V	93.1	Very high	92.4	Very high	41 Å²	41	40.4 Å²	40.4	25%	0.248	24%	0.242	C	C	.	.			trans	-77	153.7	172.6	-61.4	0	0	0	0	111.1	P439 I441 V445 R464 V537	P439-V443 HydrophobicContact CB-CG2 3.87Å; P439-V443 HydrophobicContact CG-CG2 3.64Å; I441-V443 HydrophobicContact CB-CG1 4.39Å; I441-V443 HydrophobicContact CG2-CG1 4.05Å; I441-V443 PolarHBondContact O-N 3.15Å; V443-V445 HydrophobicContact CG2-CG1 4.35Å; V443-R464 PolarHBondContact O-NH1 3.31Å; V443-R464 PolarHBondContact O-NH2 2.97Å; V443-V537 HydrophobicContact CG2-CG2 3.84Å
444	P	96.7	Very high	92.8	Very high	24 Å²	24	34.6 Å²	34.6	16%	0.156	21%	0.214	C	C	.	.			trans	-58.2	138.5	168	-22.8	34.6	0	0	0	111.3	W473 L530 R534 A536 V537	P444-W473 HydrophobicContact CB-CZ3 4.05Å; P444-L530 HydrophobicContact CB-CD2 4.2Å; P444-R534 HydrophobicContact CG-CB 4.29Å; P444-A536 HydrophobicContact CB-CB 3.96Å; P444-A536 VanDerWaalsContact O-CA 3.26Å; P444-A536 WeakPolarHBondContact O-CA 3.41Å; P444-A536 WeakPolarHBondContact O-CB 3.47Å; P444-V537 PolarHBondContact O-N 2.95Å
445	V	98	Very high	93.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136	179	-59.6	0	0	0	0	111.9	P439 V443 L447 F460 S471 W473 V537 F539	P439-V445 HydrophobicContact CG-CG1 4.31Å; V443-V445 HydrophobicContact CG2-CG1 4.35Å; V445-L447 HydrophobicContact CB-CD2 4.18Å; V445-L447 HydrophobicContact CG2-CD2 4.09Å; V445-L447 HydrophobicContact CG2-CG 4.21Å; V445-F460 HydrophobicContact CB-CE1 4.36Å; V445-F460 HydrophobicContact CG1-CE1 4.02Å; V445-F460 HydrophobicContact CG1-CZ 4.31Å; V445-F460 HydrophobicContact CG2-CE1 4.05Å; V445-S471 PolarHBondContact N-O 3.18Å; V445-S471 VanDerWaalsContact N-O 3.13Å; V445-W473 PolarHBondContact O-N 3.17Å; V445-V537 CarbonylContact C-O 3.55Å; V445-V537 VanDerWaalsContact CA-O 3.3Å; V445-V537 WeakPolarHBondContact CA-O 3.34Å; V445-V537 HydrophobicContact CG1-CB 4.45Å; V445-F539 HydrophobicContact CG1-CE2 4.36Å
446	V	98.5	Very high	93.6	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.7	170.9	-179.5	0	0	0	0	107.9	V448 F475 L527 L530 A536 V537 V538 F539	V446-V448 HydrophobicContact CG1-CG2 4.26Å; V446-F475 HydrophobicContact CG1-CD2 4.15Å; V446-F475 HydrophobicContact CG1-CE2 4.2Å; V446-L527 HydrophobicContact CG1-CD2 3.76Å; V446-L527 HydrophobicContact CG2-CD2 3.91Å; V446-L530 HydrophobicContact CG2-CB 4.31Å; V446-L530 HydrophobicContact CG2-CD1 4.05Å; V446-A536 HydrophobicContact CG2-CB 4.33Å; V446-V537 PolarHBondContact N-O 3.3Å; V446-V538 HydrophobicContact CB-CG2 4.26Å; V446-V538 CarbonylContact O-C 3.59Å; V446-V538 VanDerWaalsContact O-CA 3.28Å; V446-V538 WeakPolarHBondContact O-CA 3.47Å; V446-F539 PolarHBondContact O-N 2.89Å
447	L	98.5	Very high	93.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.2	-179.7	-50.7	-179.4	0	0	0	108.3	V445 L457 F460 L461 W473 L474 F475 F539	V445-L447 HydrophobicContact CB-CD2 4.18Å; V445-L447 HydrophobicContact CG2-CD2 4.09Å; V445-L447 HydrophobicContact CG2-CG 4.21Å; L447-L457 HydrophobicContact CB-CD1 4.28Å; L447-L457 HydrophobicContact CB-CD2 4.18Å; L447-L457 HydrophobicContact CD1-CB 4.49Å; L447-L457 HydrophobicContact CD2-CD2 4.17Å; L447-F460 HydrophobicContact CD1-CD1 4.43Å; L447-F460 HydrophobicContact CD2-CD1 4.11Å; L447-F460 HydrophobicContact CD2-CE1 4.32Å; L447-L461 HydrophobicContact CD1-CD1 4.02Å; L447-L461 HydrophobicContact CD1-CD2 3.65Å; L447-L461 HydrophobicContact CD1-CG 3.64Å; L447-W473 PolarHBondContact N-O 3.45Å; L447-L474 HydrophobicContact CB-CB 4.41Å; L447-L474 HydrophobicContact CB-CD1 3.74Å; L447-L474 CarbonylContact O-C 3.51Å; L447-L474 WeakPolarHBondContact O-CA 3.24Å; L447-F475 PolarHBondContact O-N 3.32Å; L447-F539 HydrophobicContact CD2-CB 3.91Å; L447-F539 HydrophobicContact CD2-CD2 3.65Å; L447-F539 HydrophobicContact CD2-CG 4.12Å
448	V	98.4	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.2	177.5	-171.4	0	0	0	0	108.2	V446 F475 V516 M520 F539 I540 A541 V551	V446-V448 HydrophobicContact CG1-CG2 4.26Å; V448-F475 WeakPolarHBondContact CA-O 3.25Å; V448-F475 HydrophobicContact CG1-CB 4.39Å; V448-F475 HydrophobicContact CG2-CB 4.38Å; V448-V516 HydrophobicContact CG1-CB 4.06Å; V448-V516 HydrophobicContact CG1-CG2 3.76Å; V448-M520 HydrophobicContact CG1-SD 4.3Å; V448-M520 HydrophobicContact CG2-CE 4.35Å; V448-M520 HydrophobicContact CG2-SD 3.96Å; V448-F539 PolarHBondContact N-O 2.97Å; V448-I540 HydrophobicContact CB-CG1 4.35Å; V448-I540 CarbonylContact O-C 3.55Å; V448-I540 WeakPolarHBondContact O-CA 3.23Å; V448-A541 PolarHBondContact O-N 3.36Å; V448-V551 HydrophobicContact CB-CG1 4.45Å; V448-V551 HydrophobicContact CG1-CG1 4.22Å; V448-V551 HydrophobicContact CG1-CG2 3.75Å; V448-V551 HydrophobicContact CG2-CG1 4.19Å
449	G	97	Very high	94.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146	-172.9	0	0	0	0	0	112.4	F475 F476 G477 A541	G449-F475 PolarHBondContact N-O 3.06Å; G449-F476 CarbonylContact O-C 3.57Å; G449-F476 VanDerWaalsContact O-CA 3.3Å; G449-F476 WeakPolarHBondContact O-CA 3.29Å; G449-F476 WeakPolarHBondContact O-CD2 3.39Å; G449-G477 PolarHBondContact O-N 3.41Å; G449-A541 VanDerWaalsContact CA-O 3.31Å; G449-A541 WeakPolarHBondContact CA-O 3.46Å
450	A	95.9	Very high	94.9	Very high	30 Å²	30	24.3 Å²	24.3	25%	0.248	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133	169.9	0	0	0	0	0	112.6	T452 G453 G477 A541	A450-T452 PolarHBondContact O-N 3.02Å; A450-G453 PolarHBondContact O-N 2.92Å; A450-G477 CarbonylContact C-O 3.56Å; A450-G477 VanDerWaalsContact CA-O 3.25Å; A450-G477 WeakPolarHBondContact CA-O 3.28Å; A450-A541 PolarHBondContact N-O 2.88Å; A450-A541 VanDerWaalsContact N-O 3.15Å
451	G	95.4	Very high	95.8	Very high	25 Å²	25	20.6 Å²	20.6	26%	0.258	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	54.2	-127.7	-177.4	0	0	0	0	0	112.3	G453 L454 F476 G477	G451-G453 PolarHBondContact O-N 3.19Å; G451-G453 VanDerWaalsContact O-N 3.11Å; G451-L454 WeakPolarHBondContact O-CB 3.44Å; G451-L454 PolarHBondContact O-N 3.14Å; G451-L454 VanDerWaalsContact O-N 3.1Å; G451-F476 WeakPolarHBondContact O-CE2 3.37Å; G451-G477 PolarHBondContact N-O 3.29Å
452	T	96.2	Very high	96.7	Very high	52 Å²	52	15.5 Å²	15.5	32%	0.319	9%	0.093	S	C	.	.	G	3₁₀ helix	trans	-64.8	-10.9	176.8	56.4	0	0	0	0	114.1	V224 I396 A398 A450 L454 S455	V224-T452 HydrophobicContact CG1-CG2 4.04Å; I396-T452 HydrophobicContact CG2-CG2 4.02Å; A398-T452 HydrophobicContact CB-CG2 3.73Å; A450-T452 PolarHBondContact O-N 3.02Å; T452-L454 PolarHBondContact O-N 3.46Å; T452-S455 PolarHBondContact O-N 2.97Å; T452-S455 PolarHBondContact O-OG 2.94Å
453	G	95.7	Very high	97.1	Very high	2 Å²	2	11.1 Å²	11.1	2%	0.021	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-59.5	-12	167.8	0	0	0	0	0	113.4	A450 G451 S455 A541	A450-G453 PolarHBondContact O-N 2.92Å; G451-G453 PolarHBondContact O-N 3.19Å; G451-G453 VanDerWaalsContact O-N 3.11Å; G453-S455 PolarHBondContact O-N 3.25Å; G453-A541 WeakPolarHBondContact O-CB 3.43Å
454	L	97.6	Very high	97.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.2	-28.6	169.5	-173.4	59.4	0	0	0	113.2	G451 T452 L457 R458 L474 F476 L486 C487 L491	G451-L454 WeakPolarHBondContact O-CB 3.44Å; G451-L454 PolarHBondContact O-N 3.14Å; G451-L454 VanDerWaalsContact O-N 3.1Å; T452-L454 PolarHBondContact O-N 3.46Å; L454-L457 CarbonylContact O-C 3.52Å; L454-L457 PolarHBondContact O-N 2.94Å; L454-L457 VanDerWaalsContact O-N 3.16Å; L454-R458 HydrophobicContact CD1-CB 4.46Å; L454-R458 HydrophobicContact CG-CB 4.2Å; L454-R458 WeakPolarHBondContact O-CB 3.42Å; L454-R458 PolarHBondContact O-N 2.83Å; L454-L474 HydrophobicContact CD1-CD2 4.08Å; L454-F476 HydrophobicContact CB-CD2 4.35Å; L454-F476 HydrophobicContact CB-CE2 3.74Å; L454-F476 HydrophobicContact CB-CZ 4.33Å; L454-F476 HydrophobicContact CD1-CD2 4.18Å; L454-F476 HydrophobicContact CD1-CE2 4.32Å; L454-F476 HydrophobicContact CD2-CE2 4.28Å; L454-F476 HydrophobicContact CD2-CZ 4.21Å; L454-F476 HydrophobicContact CG-CE2 4.33Å; L454-L486 HydrophobicContact CD2-CB 3.95Å; L454-L486 WeakPolarHBondContact CD2-O 3.48Å; L454-C487 HydrophobicContact CD2-CB 4.07Å; L454-L491 HydrophobicContact CD1-CD1 4.28Å; L454-L491 HydrophobicContact CD1-CD2 4.5Å; L454-L491 HydrophobicContact CD2-CD1 4.31Å
455	S	97.7	Very high	97.3	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.021	6%	0.064	C	C	.	.	H	α-helix	trans	-49.3	-65.6	-171.6	-65.3	0	0	0	0	114.4	S382 I383 A384 I396 T452 G453 L457 R458 S459	S382-S455 WeakPolarHBondContact O-CB 3.37Å; I383-S455 CarbonylContact O-C 3.56Å; A384-S455 WeakPolarHBondContact CA-O 3.33Å; I396-S455 VanDerWaalsContact CB-OG 3.3Å; I396-S455 WeakPolarHBondContact CB-OG 3.42Å; T452-S455 PolarHBondContact O-N 2.97Å; T452-S455 PolarHBondContact O-OG 2.94Å; G453-S455 PolarHBondContact O-N 3.25Å; S455-L457 PolarHBondContact O-N 3.03Å; S455-R458 PolarHBondContact O-N 3.2Å; S455-S459 PolarHBondContact O-N 3.1Å; S455-S459 VanDerWaalsContact O-N 3.14Å
456	P	97.7	Very high	97.1	Very high	1 Å²	1	15 Å²	15	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-65.6	-29.3	-176.8	29.4	-35.9	0	0	0	112	F436 F438 F460 A541	F436-P456 HydrophobicContact CD2-CB 3.89Å; F436-P456 HydrophobicContact CD2-CG 4.07Å; F436-P456 HydrophobicContact CE2-CB 4.15Å; F436-P456 HydrophobicContact CE2-CG 3.82Å; F438-P456 HydrophobicContact CZ-CB 4.46Å; P456-F460 PolarHBondContact O-N 2.73Å; P456-F460 VanDerWaalsContact O-N 3.09Å; P456-A541 HydrophobicContact CG-CB 4.09Å
457	L	98.1	Very high	97	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.2	-41.6	179.3	-52.9	-179.2	0	0	0	111.5	F436 L447 L454 S455 F460 L461 L474 F539 A541	F436-L457 HydrophobicContact CE2-CD2 4.04Å; L447-L457 HydrophobicContact CB-CD1 4.28Å; L447-L457 HydrophobicContact CB-CD2 4.18Å; L447-L457 HydrophobicContact CD1-CB 4.49Å; L447-L457 HydrophobicContact CD2-CD2 4.17Å; L454-L457 CarbonylContact O-C 3.52Å; L454-L457 PolarHBondContact O-N 2.94Å; L454-L457 VanDerWaalsContact O-N 3.16Å; S455-L457 PolarHBondContact O-N 3.03Å; L457-F460 PolarHBondContact O-N 3.19Å; L457-L461 WeakPolarHBondContact O-CB 3.24Å; L457-L461 VanDerWaalsContact O-CG 3.23Å; L457-L461 WeakPolarHBondContact O-CG 3.34Å; L457-L461 PolarHBondContact O-N 2.76Å; L457-L474 HydrophobicContact CD1-CD1 3.94Å; L457-F539 HydrophobicContact CD2-CB 4.08Å; L457-A541 HydrophobicContact CD1-CB 4.13Å; L457-A541 HydrophobicContact CD2-CB 4.29Å; L457-A541 HydrophobicContact CG-CB 4.1Å
458	R	97.8	Very high	96.8	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-48.3	174.4	178.1	178.1	175.9	-97.2	10.3	110.1	A384 H390 E394 L454 S455 F460 L461 H462 D490	A384-R458 WeakPolarHBondContact O-CG 3.38Å; A384-R458 PolarHBondContact O-NH1 2.8Å; H390-R458 PolarHBondContact NE2-NH1 3.22Å; H390-R458 PolarHBondContact NE2-NH2 2.78Å; H390-R458 VanDerWaalsContact NE2-NH2 3.19Å; E394-R458 IonicContact OE2-CZ 3.07Å; E394-R458 IonicContact OE2-NH1 3.83Å; E394-R458 PolarHBondContact OE2-NH1 3.17Å; E394-R458 IonicContact OE2-NH2 3.32Å; E394-R458 PolarHBondContact OE2-NH2 3.21Å; L454-R458 HydrophobicContact CD1-CB 4.46Å; L454-R458 HydrophobicContact CG-CB 4.2Å; L454-R458 WeakPolarHBondContact O-CB 3.42Å; L454-R458 PolarHBondContact O-N 2.83Å; S455-R458 PolarHBondContact O-N 3.2Å; R458-F460 VanDerWaalsContact C-N 3.29Å; R458-F460 PolarHBondContact O-N 3.47Å; R458-L461 PolarHBondContact O-N 3.09Å; R458-H462 PolarHBondContact O-CD2 3.09Å; R458-H462 VanDerWaalsContact O-CD2 3.29Å; R458-H462 PolarHBondContact O-N 2.89Å; R458-D490 IonicContact CZ-OD2 2.78Å; R458-D490 IonicContact NE-OD2 3.84Å; R458-D490 PolarHBondContact NE-OD2 2.76Å; R458-D490 IonicContact NH2-OD2 2.83Å; R458-D490 PolarHBondContact NH2-OD2 3.37Å
459	S	97.8	Very high	96.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-53.5	-48	176	179.8	0	0	0	0	111.7	P239 I383 A384 S385 S455 H462 F463	P239-S459 WeakPolarHBondContact CA-OG 3.45Å; I383-S459 WeakPolarHBondContact O-CB 3.23Å; A384-S459 PolarHBondContact O-N 3.05Å; S385-S459 WeakPolarHBondContact O-CB 3.39Å; S385-S459 PolarHBondContact O-OG 3.36Å; S455-S459 PolarHBondContact O-N 3.1Å; S455-S459 VanDerWaalsContact O-N 3.14Å; S459-H462 PolarHBondContact O-N 2.98Å; S459-F463 PolarHBondContact O-N 3.34Å; S459-F463 VanDerWaalsContact O-N 3.16Å
460	F	97.6	Very high	96.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-38.2	178.8	-176.5	-133.6	0	0	0	113.6	P239 F438 P439 V445 L447 P456 L457 R458 F463 R464 F539	P239-F460 HydrophobicContact CB-CB 4.16Å; P239-F460 HydrophobicContact CB-CD2 4.32Å; F438-F460 HydrophobicContact CB-CD2 3.68Å; F438-F460 HydrophobicContact CB-CE2 3.55Å; F438-F460 HydrophobicContact CB-CG 4.25Å; F438-F460 HydrophobicContact CB-CZ 3.98Å; F438-F460 HydrophobicContact CD1-CB 4.07Å; F438-F460 AromaticContact CD1-CD1 3.34Å; F438-F460 HydrophobicContact CD1-CD1 3.34Å; F438-F460 AromaticContact CD1-CD2 3.82Å; F438-F460 HydrophobicContact CD1-CD2 3.82Å; F438-F460 AromaticContact CD1-CE1 3.53Å; F438-F460 HydrophobicContact CD1-CE1 3.53Å; F438-F460 HydrophobicContact CD1-CE2 4.03Å; F438-F460 AromaticContact CD1-CG 3.48Å; F438-F460 HydrophobicContact CD1-CG 3.48Å; F438-F460 VanDerWaalsContact CD1-CG 3.48Å; F438-F460 AromaticContact CD1-CZ 3.88Å; F438-F460 HydrophobicContact CD1-CZ 3.88Å; F438-F460 HydrophobicContact CD2-CB 3.93Å; F438-F460 AromaticContact CD2-CD2 3.99Å; F438-F460 HydrophobicContact CD2-CD2 3.99Å; F438-F460 AromaticContact CD2-CG 3.96Å; F438-F460 HydrophobicContact CD2-CG 3.96Å; F438-F460 HydrophobicContact CE1-CB 3.86Å; F438-F460 AromaticContact CE1-CD1 3.47Å; F438-F460 HydrophobicContact CE1-CD1 3.47Å; F438-F460 VanDerWaalsContact CE1-CD1 3.47Å; F438-F460 HydrophobicContact CE1-CD2 4.47Å; F438-F460 HydrophobicContact CE1-CE1 4.05Å; F438-F460 AromaticContact CE1-CG 3.7Å; F438-F460 HydrophobicContact CE1-CG 3.7Å; F438-F460 HydrophobicContact CE2-CB 3.68Å; F438-F460 HydrophobicContact CE2-CG 4.13Å; F438-F460 HydrophobicContact CG-CB 4.11Å; F438-F460 AromaticContact CG-CD1 3.98Å; F438-F460 HydrophobicContact CG-CD1 3.98Å; F438-F460 AromaticContact CG-CD2 3.56Å; F438-F460 HydrophobicContact CG-CD2 3.56Å; F438-F460 HydrophobicContact CG-CE1 4.22Å; F438-F460 AromaticContact CG-CE2 3.87Å; F438-F460 HydrophobicContact CG-CE2 3.87Å; F438-F460 AromaticContact CG-CG 3.62Å; F438-F460 HydrophobicContact CG-CG 3.62Å; F438-F460 HydrophobicContact CG-CZ 4.17Å; F438-F460 HydrophobicContact CZ-CB 3.65Å; F438-F460 HydrophobicContact CZ-CD1 4.17Å; F438-F460 HydrophobicContact CZ-CG 4.01Å; P439-F460 HydrophobicContact CG-CZ 4.16Å; V445-F460 HydrophobicContact CB-CE1 4.36Å; V445-F460 HydrophobicContact CG1-CE1 4.02Å; V445-F460 HydrophobicContact CG1-CZ 4.31Å; V445-F460 HydrophobicContact CG2-CE1 4.05Å; L447-F460 HydrophobicContact CD1-CD1 4.43Å; L447-F460 HydrophobicContact CD2-CD1 4.11Å; L447-F460 HydrophobicContact CD2-CE1 4.32Å; P456-F460 PolarHBondContact O-N 2.73Å; P456-F460 VanDerWaalsContact O-N 3.09Å; L457-F460 PolarHBondContact O-N 3.19Å; R458-F460 VanDerWaalsContact C-N 3.29Å; R458-F460 PolarHBondContact O-N 3.47Å; F460-F463 AromaticContact CD2-CD1 3.99Å; F460-F463 HydrophobicContact CD2-CD1 3.99Å; F460-F463 HydrophobicContact CE2-CD1 4.03Å; F460-F463 HydrophobicContact CE2-CE1 4.38Å; F460-F463 WeakPolarHBondContact O-CB 3.42Å; F460-F463 PolarHBondContact O-N 2.92Å; F460-R464 HydrophobicContact CD2-CG 4.21Å; F460-R464 HydrophobicContact CE1-CG 4.39Å; F460-R464 HydrophobicContact CE2-CG 3.87Å; F460-R464 HydrophobicContact CZ-CG 3.99Å; F460-R464 WeakPolarHBondContact O-CG 3.44Å; F460-R464 PolarHBondContact O-N 3.45Å; F460-F539 HydrophobicContact CE1-CE2 4.42Å
461	L	98	Very high	96.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64	-40.4	176.5	-77.5	170.2	0	0	0	112.2	L447 L457 R458 F463 R464 N465 L474 L491 M494 L500	L447-L461 HydrophobicContact CD1-CD1 4.02Å; L447-L461 HydrophobicContact CD1-CD2 3.65Å; L447-L461 HydrophobicContact CD1-CG 3.64Å; L457-L461 WeakPolarHBondContact O-CB 3.24Å; L457-L461 VanDerWaalsContact O-CG 3.23Å; L457-L461 WeakPolarHBondContact O-CG 3.34Å; L457-L461 PolarHBondContact O-N 2.76Å; R458-L461 PolarHBondContact O-N 3.09Å; L461-F463 VanDerWaalsContact C-N 3.35Å; L461-R464 PolarHBondContact O-N 3Å; L461-N465 VanDerWaalsContact O-CB 3.3Å; L461-N465 WeakPolarHBondContact O-CB 3.38Å; L461-N465 PolarHBondContact O-N 3.24Å; L461-L474 HydrophobicContact CD1-CD2 3.87Å; L461-L491 HydrophobicContact CD1-CD2 4.02Å; L461-M494 HydrophobicContact CB-CE 4.29Å; L461-M494 HydrophobicContact CB-SD 3.69Å; L461-L500 HydrophobicContact CD1-CD1 4.16Å; L461-L500 HydrophobicContact CD1-CD2 4.19Å; L461-L500 HydrophobicContact CD2-CD1 3.66Å
462	H	97.6	Very high	96.6	Very high	20 Å²	20	27.5 Å²	27.5	9%	0.093	14%	0.135	C	C	.	.	H	α-helix	trans	-63.5	-40.4	173.1	-84	-85.5	0	0	0	112.3	C386 H390 R458 S459 N465 H466 D490 M494	C386-H462 HydrophobicContact CB-CB 3.64Å; H390-H462 AromaticContact CE1-CD2 3.64Å; H390-H462 AromaticContact CE1-CE1 3.56Å; H390-H462 AromaticContact CE1-CG 3.54Å; H390-H462 AromaticContact CE1-ND1 3.48Å; H390-H462 PolarHBondContact CE1-ND1 3.02Å; H390-H462 AromaticContact CE1-NE2 3.69Å; H390-H462 AromaticContact NE2-CE1 3.96Å; H390-H462 AromaticContact NE2-NE2 3.96Å; R458-H462 PolarHBondContact O-CD2 3.09Å; R458-H462 VanDerWaalsContact O-CD2 3.29Å; R458-H462 PolarHBondContact O-N 2.89Å; S459-H462 PolarHBondContact O-N 2.98Å; H462-N465 PolarHBondContact O-N 2.78Å; H462-H466 WeakPolarHBondContact O-CB 3.46Å; H462-H466 PolarHBondContact O-N 2.84Å; H462-D490 IonicContact NE2-OD2 2.73Å; H462-M494 HydrophobicContact CB-CE 4.1Å; H462-M494 WeakPolarHBondContact CD2-CE 3.41Å; H462-M494 VanDerWaalsContact CE1-CE 3.44Å; H462-M494 WeakPolarHBondContact CE1-CE 3.27Å; H462-M494 WeakPolarHBondContact ND1-CE 3.29Å; H462-M494 WeakPolarHBondContact NE2-CE 3.31Å
463	F	96.4	Very high	96.7	Very high	29 Å²	29	27 Å²	27	13%	0.127	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-45	174.4	171.2	-99.8	0	0	0	112.3	P239 S459 F460 L461 H466 R467	P239-F463 HydrophobicContact CG-CB 3.58Å; P239-F463 HydrophobicContact CG-CD1 4.37Å; P239-F463 HydrophobicContact CG-CD2 4.1Å; P239-F463 HydrophobicContact CG-CG 3.79Å; S459-F463 PolarHBondContact O-N 3.34Å; S459-F463 VanDerWaalsContact O-N 3.16Å; F460-F463 AromaticContact CD2-CD1 3.99Å; F460-F463 HydrophobicContact CD2-CD1 3.99Å; F460-F463 HydrophobicContact CE2-CD1 4.03Å; F460-F463 HydrophobicContact CE2-CE1 4.38Å; F460-F463 WeakPolarHBondContact O-CB 3.42Å; F460-F463 PolarHBondContact O-N 2.92Å; L461-F463 VanDerWaalsContact C-N 3.35Å; F463-H466 PolarHBondContact O-N 2.83Å; F463-R467 VanDerWaalsContact CZ-NE 3.25Å; F463-R467 PolarHBondContact O-N 3.37Å; F463-R467 VanDerWaalsContact O-N 3.12Å
464	R	96.7	Very high	96.8	Very high	4 Å²	4	27 Å²	27	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-63.8	-42.8	175.4	-72.2	-178.7	74.9	82.8	-13.4	112.1	V443 F460 L461 H466 R467 G468 V469 S471 S472	V443-R464 PolarHBondContact O-NH1 3.31Å; V443-R464 PolarHBondContact O-NH2 2.97Å; F460-R464 HydrophobicContact CD2-CG 4.21Å; F460-R464 HydrophobicContact CE1-CG 4.39Å; F460-R464 HydrophobicContact CE2-CG 3.87Å; F460-R464 HydrophobicContact CZ-CG 3.99Å; F460-R464 WeakPolarHBondContact O-CG 3.44Å; F460-R464 PolarHBondContact O-N 3.45Å; L461-R464 PolarHBondContact O-N 3Å; R464-H466 VanDerWaalsContact C-N 3.34Å; R464-H466 PolarHBondContact O-N 3.23Å; R464-R467 CarbonylContact O-C 3.58Å; R464-R467 PolarHBondContact O-N 3.24Å; R464-G468 PolarHBondContact O-N 3.33Å; R464-G468 VanDerWaalsContact O-N 3.08Å; R464-V469 HydrophobicContact CB-CB 4.16Å; R464-V469 VanDerWaalsContact CZ-CG1 3.4Å; R464-V469 PolarHBondContact O-N 2.79Å; R464-S471 PolarHBondContact NH2-O 2.83Å; R464-S471 PolarHBondContact NH2-OG 3.23Å; R464-S472 PolarHBondContact NE-OG 2.94Å
465	N	96	Very high	96.8	Very high	39 Å²	39	27 Å²	27	21%	0.209	13%	0.127	C	C	.	.	H	α-helix	trans	-59.1	-44.9	175.4	-177.5	60.6	0	0	0	111.7	L461 H462 R467 G468 M494 N497 T499	L461-N465 VanDerWaalsContact O-CB 3.3Å; L461-N465 WeakPolarHBondContact O-CB 3.38Å; L461-N465 PolarHBondContact O-N 3.24Å; H462-N465 PolarHBondContact O-N 2.78Å; N465-R467 VanDerWaalsContact C-N 3.28Å; N465-R467 PolarHBondContact O-N 3.28Å; N465-G468 PolarHBondContact O-N 2.98Å; N465-M494 HydrophobicContact CB-CE 4.36Å; N465-M494 HydrophobicContact CB-CG 4.39Å; N465-M494 HydrophobicContact CB-SD 4.38Å; N465-N497 PolarHBondContact OD1-ND2 2.82Å; N465-T499 HydrophobicContact CB-CG2 3.94Å; N465-T499 PolarHBondContact OD1-OG1 2.93Å
466	H	95.4	Very high	96.9	Very high	103 Å²	103	26.9 Å²	26.9	48%	0.477	13%	0.126	S	C	.	.	H	α-helix	trans	-60.6	-36.8	176.8	178.7	78.1	0	0	0	112.5	T389 H462 F463 R464 G468	T389-H466 HydrophobicContact CG2-CB 3.73Å; H462-H466 WeakPolarHBondContact O-CB 3.46Å; H462-H466 PolarHBondContact O-N 2.84Å; F463-H466 PolarHBondContact O-N 2.83Å; R464-H466 VanDerWaalsContact C-N 3.34Å; R464-H466 PolarHBondContact O-N 3.23Å; H466-G468 VanDerWaalsContact C-N 3.29Å; H466-G468 PolarHBondContact O-N 3.34Å
467	R	94.6	Very high	96.8	Very high	125 Å²	125	27.3 Å²	27.3	47%	0.472	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-2.7	174.8	-70.3	-170.7	172.7	-170.1	-0.5	114.4	A440 F463 R464 N465 V469	A440-R467 PolarHBondContact O-NH1 3.04Å; A440-R467 VanDerWaalsContact O-NH1 3.15Å; F463-R467 VanDerWaalsContact CZ-NE 3.25Å; F463-R467 PolarHBondContact O-N 3.37Å; F463-R467 VanDerWaalsContact O-N 3.12Å; R464-R467 CarbonylContact O-C 3.58Å; R464-R467 PolarHBondContact O-N 3.24Å; N465-R467 VanDerWaalsContact C-N 3.28Å; N465-R467 PolarHBondContact O-N 3.28Å; R467-V469 VanDerWaalsContact C-N 3.31Å; R467-V469 HydrophobicContact CB-CG2 3.92Å; R467-V469 PolarHBondContact O-N 2.92Å
468	G	94.4	Very high	96.8	Very high	34 Å²	34	27.7 Å²	27.7	35%	0.351	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	15	-179.1	0	0	0	0	0	114.8	R464 N465 H466 R470	R464-G468 PolarHBondContact O-N 3.33Å; R464-G468 VanDerWaalsContact O-N 3.08Å; N465-G468 PolarHBondContact O-N 2.98Å; H466-G468 VanDerWaalsContact C-N 3.29Å; H466-G468 PolarHBondContact O-N 3.34Å; G468-R470 WeakPolarHBondContact O-CG 3.5Å; G468-R470 PolarHBondContact O-NE 3.06Å; G468-R470 VanDerWaalsContact O-NE 3.12Å
469	V	95.3	Very high	96.7	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.042	14%	0.143	C	C	.	.			trans	-74.5	132.9	-178.7	-169.7	0	0	0	0	110.6	E442 R464 R467 T499	E442-V469 HydrophobicContact CB-CG1 4.19Å; E442-V469 HydrophobicContact CB-CG2 4.3Å; E442-V469 HydrophobicContact CG-CG1 4.49Å; E442-V469 HydrophobicContact CG-CG2 3.69Å; R464-V469 HydrophobicContact CB-CB 4.16Å; R464-V469 VanDerWaalsContact CZ-CG1 3.4Å; R464-V469 PolarHBondContact O-N 2.79Å; R467-V469 VanDerWaalsContact C-N 3.31Å; R467-V469 HydrophobicContact CB-CG2 3.92Å; R467-V469 PolarHBondContact O-N 2.92Å; V469-T499 PolarHBondContact O-OG1 3.32Å; V469-T499 VanDerWaalsContact O-OG1 3.12Å
470	R	94.4	Very high	96.7	Very high	125 Å²	125	33.6 Å²	33.6	47%	0.472	16%	0.156	S	C	.	.			trans	-115.7	6.3	-172.7	-51	-57.1	170.2	-179.9	2.6	115.1	G468 N497 G498 T499	G468-R470 WeakPolarHBondContact O-CG 3.5Å; G468-R470 PolarHBondContact O-NE 3.06Å; G468-R470 VanDerWaalsContact O-NE 3.12Å; R470-N497 VanDerWaalsContact NH1-CG 3.34Å; R470-N497 PolarHBondContact NH1-O 2.72Å; R470-N497 PolarHBondContact NH1-OD1 2.82Å; R470-N497 VanDerWaalsContact NH1-OD1 3.07Å; R470-G498 WeakPolarHBondContact CA-O 3.48Å; R470-G498 VanDerWaalsContact CB-O 3.32Å; R470-G498 WeakPolarHBondContact CB-O 3.45Å; R470-G498 VanDerWaalsContact CD-C 3.5Å; R470-G498 WeakPolarHBondContact CD-O 3.44Å; R470-T499 PolarHBondContact NH1-OG1 3.22Å
471	S	95	Very high	96.7	Very high	25 Å²	25	39.6 Å²	39.6	18%	0.175	18%	0.178	C	C	.	.			trans	-103.7	58.1	-176.6	52.9	0	0	0	0	111.7	V445 R464 W473	V445-S471 PolarHBondContact N-O 3.18Å; V445-S471 VanDerWaalsContact N-O 3.13Å; R464-S471 PolarHBondContact NH2-O 2.83Å; R464-S471 PolarHBondContact NH2-OG 3.23Å; S471-W473 WeakPolarHBondContact O-CZ3 3.35Å
472	S	97.8	Very high	96.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.7	-179.7	-28.6	0	0	0	0	111.2	R464 T499 L500 A501	R464-S472 PolarHBondContact NE-OG 2.94Å; S472-T499 VanDerWaalsContact CB-O 3.23Å; S472-T499 WeakPolarHBondContact CB-O 3.48Å; S472-T499 PolarHBondContact OG-O 3.28Å; S472-L500 WeakPolarHBondContact O-CA 3.48Å; S472-A501 PolarHBondContact O-N 3.39Å
473	W	98.5	Very high	96.6	Very high	43 Å²	43	49.4 Å²	49.4	16%	0.163	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.1	174.9	-69	-102.1	0	0	0	109.2	P444 V445 L447 S471 F475 A501 L530	P444-W473 HydrophobicContact CB-CZ3 4.05Å; V445-W473 PolarHBondContact O-N 3.17Å; L447-W473 PolarHBondContact N-O 3.45Å; S471-W473 WeakPolarHBondContact O-CZ3 3.35Å; W473-F475 HydrophobicContact CB-CE2 4.4Å; W473-A501 CarbonylContact C-O 3.6Å; W473-A501 WeakPolarHBondContact CA-O 3.41Å; W473-A501 VanDerWaalsContact CD1-CB 3.43Å; W473-A501 HydrophobicContact CG-CB 4.03Å; W473-L530 HydrophobicContact CD2-CD1 3.59Å; W473-L530 HydrophobicContact CD2-CD2 4.41Å; W473-L530 HydrophobicContact CE3-CD1 3.85Å; W473-L530 HydrophobicContact CE3-CD2 4.07Å; W473-L530 HydrophobicContact CG-CD1 3.91Å; W473-L530 HydrophobicContact CH2-CD2 3.65Å; W473-L530 HydrophobicContact CZ2-CD1 4.3Å; W473-L530 HydrophobicContact CZ2-CD2 3.99Å; W473-L530 HydrophobicContact CZ3-CD1 4.31Å; W473-L530 HydrophobicContact CZ3-CD2 3.68Å
474	L	98.6	Very high	96.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.7	176.8	174.2	62.7	0	0	0	110.6	L447 L454 L457 L461 F476 L491 L500 A501 L502 S503	L447-L474 HydrophobicContact CB-CB 4.41Å; L447-L474 HydrophobicContact CB-CD1 3.74Å; L447-L474 CarbonylContact O-C 3.51Å; L447-L474 WeakPolarHBondContact O-CA 3.24Å; L454-L474 HydrophobicContact CD1-CD2 4.08Å; L457-L474 HydrophobicContact CD1-CD1 3.94Å; L461-L474 HydrophobicContact CD1-CD2 3.87Å; L474-F476 HydrophobicContact CD1-CB 4.37Å; L474-F476 HydrophobicContact CD2-CB 4.22Å; L474-F476 HydrophobicContact CG-CB 4.06Å; L474-L491 HydrophobicContact CD2-CD1 4.2Å; L474-L491 HydrophobicContact CD2-CD2 3.95Å; L474-L500 HydrophobicContact CB-CD1 3.53Å; L474-L500 HydrophobicContact CB-CD2 4.49Å; L474-L500 HydrophobicContact CB-CG 4.43Å; L474-L500 HydrophobicContact CD2-CD2 4.39Å; L474-A501 PolarHBondContact N-O 3.33Å; L474-L502 HydrophobicContact CB-CD1 4.04Å; L474-L502 HydrophobicContact CD2-CD1 3.74Å; L474-L502 HydrophobicContact CG-CD1 3.87Å; L474-S503 PolarHBondContact O-N 2.96Å
475	F	98.5	Very high	96.7	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	100.7	166.3	-66.6	-96.5	0	0	0	108.2	V446 L447 V448 G449 W473 S503 V516 N519 M520 Q523 L527	V446-F475 HydrophobicContact CG1-CD2 4.15Å; V446-F475 HydrophobicContact CG1-CE2 4.2Å; L447-F475 PolarHBondContact O-N 3.32Å; V448-F475 WeakPolarHBondContact CA-O 3.25Å; V448-F475 HydrophobicContact CG1-CB 4.39Å; V448-F475 HydrophobicContact CG2-CB 4.38Å; G449-F475 PolarHBondContact N-O 3.06Å; W473-F475 HydrophobicContact CB-CE2 4.4Å; F475-S503 CarbonylContact C-O 3.54Å; F475-S503 WeakPolarHBondContact CA-O 3.4Å; F475-V516 HydrophobicContact CB-CB 4.42Å; F475-N519 HydrophobicContact CD1-CB 4.18Å; F475-N519 HydrophobicContact CE1-CB 4.49Å; F475-M520 HydrophobicContact CB-CG 4.28Å; F475-M520 HydrophobicContact CD1-CB 4.38Å; F475-M520 HydrophobicContact CD1-CG 3.49Å; F475-M520 VanDerWaalsContact CD1-CG 3.49Å; F475-M520 HydrophobicContact CD2-CG 4.18Å; F475-M520 HydrophobicContact CE1-CB 4.32Å; F475-M520 HydrophobicContact CE1-CG 3.81Å; F475-M520 HydrophobicContact CE2-CG 4.45Å; F475-M520 HydrophobicContact CG-CG 3.71Å; F475-M520 HydrophobicContact CZ-CG 4.28Å; F475-Q523 HydrophobicContact CZ-CB 4.38Å; F475-L527 HydrophobicContact CE2-CD1 4.34Å; F475-L527 HydrophobicContact CE2-CD2 3.78Å; F475-L527 HydrophobicContact CE2-CG 4.39Å; F475-L527 HydrophobicContact CZ-CD1 3.98Å; F475-L527 HydrophobicContact CZ-CD2 4.06Å; F475-L527 HydrophobicContact CZ-CG 4.17Å
476	F	98.2	Very high	96.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.6	-175.9	-178.3	-117.1	0	0	0	112.1	G449 G451 L454 L474 C478 W485 L502 S503 V504 A505	G449-F476 CarbonylContact O-C 3.57Å; G449-F476 VanDerWaalsContact O-CA 3.3Å; G449-F476 WeakPolarHBondContact O-CA 3.29Å; G449-F476 WeakPolarHBondContact O-CD2 3.39Å; G451-F476 WeakPolarHBondContact O-CE2 3.37Å; L454-F476 HydrophobicContact CB-CD2 4.35Å; L454-F476 HydrophobicContact CB-CE2 3.74Å; L454-F476 HydrophobicContact CB-CZ 4.33Å; L454-F476 HydrophobicContact CD1-CD2 4.18Å; L454-F476 HydrophobicContact CD1-CE2 4.32Å; L454-F476 HydrophobicContact CD2-CE2 4.28Å; L454-F476 HydrophobicContact CD2-CZ 4.21Å; L454-F476 HydrophobicContact CG-CE2 4.33Å; L474-F476 HydrophobicContact CD1-CB 4.37Å; L474-F476 HydrophobicContact CD2-CB 4.22Å; L474-F476 HydrophobicContact CG-CB 4.06Å; F476-C478 HydrophobicContact CE1-CB 4.12Å; F476-C478 HydrophobicContact CZ-CB 4.37Å; F476-W485 AromaticContact CE1-CD1 3.91Å; F476-L502 HydrophobicContact CB-CD1 4.42Å; F476-S503 PolarHBondContact N-O 3Å; F476-V504 HydrophobicContact CD1-CG1 4.08Å; F476-V504 CarbonylContact O-C 3.55Å; F476-V504 VanDerWaalsContact O-CA 3.27Å; F476-V504 WeakPolarHBondContact O-CA 3.44Å; F476-A505 PolarHBondContact O-N 2.74Å
477	G	97	Very high	96.8	Very high	10 Å²	10	43.9 Å²	43.9	10%	0.103	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.9	179.5	0	0	0	0	0	113.3	G449 A450 G451 A505 V516	G449-G477 PolarHBondContact O-N 3.41Å; A450-G477 CarbonylContact C-O 3.56Å; A450-G477 VanDerWaalsContact CA-O 3.25Å; A450-G477 WeakPolarHBondContact CA-O 3.28Å; G451-G477 PolarHBondContact N-O 3.29Å; G477-A505 WeakPolarHBondContact CA-O 3.47Å; G477-V516 VanDerWaalsContact N-CG1 3.34Å
478	C	96.9	Very high	96.9	Very high	8 Å²	8	41.3 Å²	41.3	5%	0.054	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	-177.4	168.5	60	0	0	0	0	110.4	F476 D484 A505 F506 S507	F476-C478 HydrophobicContact CE1-CB 4.12Å; F476-C478 HydrophobicContact CZ-CB 4.37Å; C478-D484 WeakPolarHBondContact CB-O 3.48Å; C478-A505 PolarHBondContact N-O 2.75Å; C478-A505 VanDerWaalsContact O-O 3.12Å; C478-F506 WeakPolarHBondContact SG-CD1 3.2Å; C478-S507 PolarHBondContact O-N 2.77Å; C478-S507 PolarHBondContact O-OG 3.01Å
479	R	96.5	Very high	97	Very high	63 Å²	63	47.4 Å²	47.4	24%	0.238	22%	0.215	C	C	.	.	S	Bend	trans	-84.1	-53.3	-177.9	-65	177.6	-178.2	93.3	0.9	111.6	D484 F506 S507 R508	R479-D484 WeakPolarHBondContact CB-OD1 3.39Å; R479-D484 WeakPolarHBondContact CB-OD2 3.39Å; R479-D484 PolarHBondContact N-OD1 3.37Å; R479-D484 PolarHBondContact N-OD2 3.27Å; R479-F506 CarbonylContact O-C 3.5Å; R479-S507 WeakPolarHBondContact CA-OG 3.06Å; R479-S507 PolarHBondContact O-N 3.35Å; R479-R508 HydrophobicContact CB-CG 4.32Å; R479-R508 WeakPolarHBondContact O-CB 3.47Å; R479-R508 PolarHBondContact O-N 2.89Å
480	Y	97.9	Very high	96.9	Very high	67 Å²	67	49 Å²	49	26%	0.263	22%	0.224	S	C	.	.			trans	-135.1	142.9	-174.3	-51.7	-81.1	0	0	0	111.4	H220 D482 K483 D484 R508 D509	H220-Y480 AromaticContact CE1-CD2 3.96Å; Y480-D482 PolarHBondContact O-N 3.25Å; Y480-K483 HydrophobicContact CD2-CB 4.35Å; Y480-K483 HydrophobicContact CD2-CD 4.05Å; Y480-K483 HydrophobicContact CG-CD 4.31Å; Y480-D484 PolarHBondContact N-OD1 2.88Å; Y480-D484 PolarHBondContact O-N 3.02Å; Y480-R508 HydrophobicContact CD1-CB 3.81Å; Y480-R508 HydrophobicContact CE1-CB 3.26Å; Y480-R508 HydrophobicContact CE1-CG 4.42Å; Y480-R508 VanDerWaalsContact CE1-O 3.28Å; Y480-R508 WeakPolarHBondContact CE1-O 3.46Å; Y480-R508 HydrophobicContact CE2-CB 4.38Å; Y480-R508 WeakPolarHBondContact OH-CD 3.47Å; Y480-D509 WeakPolarHBondContact CA-OD1 3.45Å; Y480-D509 WeakPolarHBondContact CB-OD1 3.21Å
481	R	97	Very high	97.1	Very high	126 Å²	126	43.1 Å²	43.1	48%	0.475	20%	0.201	S	C	.	.	H	α-helix	trans	-57.1	-50	176.4	-177.2	-179	-61.2	175.2	3.1	112.7	K483 W485 F506 D509	R481-K483 VanDerWaalsContact C-N 3.32Å; R481-K483 PolarHBondContact O-N 3.27Å; R481-W485 HydrophobicContact CG-CE3 3.87Å; R481-W485 HydrophobicContact CG-CZ3 4.12Å; R481-W485 WeakPolarHBondContact O-CB 3.27Å; R481-F506 VanDerWaalsContact CA-CD1 3.49Å; R481-F506 HydrophobicContact CB-CD1 3.86Å; R481-F506 HydrophobicContact CB-CD2 4.3Å; R481-F506 HydrophobicContact CB-CE1 3.72Å; R481-F506 HydrophobicContact CB-CE2 4.17Å; R481-F506 HydrophobicContact CB-CG 4.16Å; R481-F506 HydrophobicContact CB-CZ 3.88Å; R481-F506 HydrophobicContact CG-CE1 4.07Å; R481-F506 HydrophobicContact CG-CE2 4.24Å; R481-F506 HydrophobicContact CG-CZ 3.83Å; R481-D509 VanDerWaalsContact CB-OD2 3.25Å; R481-D509 WeakPolarHBondContact CB-OD2 3.47Å; R481-D509 PolarHBondContact N-OD1 3.1Å; R481-D509 PolarHBondContact N-OD2 3.14Å
482	D	96.7	Very high	97.3	Very high	140 Å²	140	48.1 Å²	48.1	75%	0.749	22%	0.216	S	C	*	.	H	α-helix	trans	-88	2	-169.5	-54.5	-28.2	0	0	0	113.5	Y480	Y480-D482 PolarHBondContact O-N 3.25Å
483	K	97.1	Very high	97.2	Very high	87 Å²	87	55 Å²	55	38%	0.378	25%	0.246	S	C	.	.	H	α-helix	trans	-125.6	-37.4	-171.6	-57.4	-174	176.6	177.2	0	115.6	T216 D217 H220 Y480 R481	T216-K483 WeakPolarHBondContact CA-O 3.47Å; D217-K483 HydrophobicContact CB-CB 4.03Å; D217-K483 HydrophobicContact CB-CG 4.14Å; D217-K483 PolarHBondContact N-O 3.48Å; H220-K483 HydrophobicContact CB-CB 4.1Å; H220-K483 WeakPolarHBondContact ND1-CB 3.44Å; Y480-K483 HydrophobicContact CD2-CB 4.35Å; Y480-K483 HydrophobicContact CD2-CD 4.05Å; Y480-K483 HydrophobicContact CG-CD 4.31Å; R481-K483 VanDerWaalsContact C-N 3.32Å; R481-K483 PolarHBondContact O-N 3.27Å
484	D	97.6	Very high	97.2	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-140.6	25	-174.6	63.9	-53.2	0	0	0	114	T216 H220 C478 R479 Y480 L486	T216-D484 HydrophobicContact CG2-CB 3.96Å; H220-D484 IonicContact CE1-OD1 2.81Å; H220-D484 PolarHBondContact CE1-OD1 2.89Å; H220-D484 IonicContact CE1-OD2 2.73Å; H220-D484 IonicContact ND1-OD1 3.21Å; H220-D484 IonicContact NE2-OD2 3.96Å; C478-D484 WeakPolarHBondContact CB-O 3.48Å; R479-D484 WeakPolarHBondContact CB-OD1 3.39Å; R479-D484 WeakPolarHBondContact CB-OD2 3.39Å; R479-D484 PolarHBondContact N-OD1 3.37Å; R479-D484 PolarHBondContact N-OD2 3.27Å; Y480-D484 PolarHBondContact N-OD1 2.88Å; Y480-D484 PolarHBondContact O-N 3.02Å; D484-L486 PolarHBondContact O-N 3.47Å; D484-L486 VanDerWaalsContact O-N 3.08Å
485	W	96.8	Very high	97.2	Very high	26 Å²	26	56.2 Å²	56.2	10%	0.098	26%	0.258	C	S	.	.			trans	-76.2	91.4	165.5	-167.6	-3	0	0	0	110.7	F476 R481 E488 L502 V504 F506	F476-W485 AromaticContact CE1-CD1 3.91Å; R481-W485 HydrophobicContact CG-CE3 3.87Å; R481-W485 HydrophobicContact CG-CZ3 4.12Å; R481-W485 WeakPolarHBondContact O-CB 3.27Å; W485-E488 HydrophobicContact CD2-CB 4.04Å; W485-E488 HydrophobicContact CD2-CG 3.86Å; W485-E488 HydrophobicContact CE3-CB 4.46Å; W485-E488 VanDerWaalsContact CE3-CD 3.47Å; W485-E488 HydrophobicContact CE3-CG 3.89Å; W485-E488 HydrophobicContact CG-CB 4.17Å; W485-E488 HydrophobicContact CH2-CG 4.1Å; W485-E488 HydrophobicContact CZ2-CG 4.02Å; W485-E488 HydrophobicContact CZ3-CG 4.02Å; W485-E488 WeakPolarHBondContact CZ3-OE1 3.45Å; W485-L502 HydrophobicContact CZ2-CD2 4.13Å; W485-V504 HydrophobicContact CZ2-CG2 3.79Å; W485-F506 HydrophobicContact CB-CE1 4.33Å; W485-F506 HydrophobicContact CD2-CE1 4.05Å; W485-F506 AromaticContact CD2-CZ 4Å; W485-F506 HydrophobicContact CD2-CZ 4Å; W485-F506 HydrophobicContact CE3-CE1 4.03Å; W485-F506 AromaticContact CE3-CZ 3.7Å; W485-F506 HydrophobicContact CE3-CZ 3.7Å; W485-F506 HydrophobicContact CG-CE1 4.22Å; W485-F506 HydrophobicContact CH2-CZ 4.33Å; W485-F506 AromaticContact CZ3-CZ 3.87Å; W485-F506 HydrophobicContact CZ3-CZ 3.87Å
486	L	97.5	Very high	97.2	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	139	-176.7	-48.4	-179.2	0	0	0	111.5	I215 T216 V224 I396 L454 D484 E488	I215-L486 HydrophobicContact CD1-CB 4.16Å; I215-L486 HydrophobicContact CD1-CD2 3.85Å; I215-L486 HydrophobicContact CD1-CG 4.45Å; I215-L486 HydrophobicContact CG1-CD2 4.1Å; T216-L486 HydrophobicContact CG2-CD2 3.87Å; V224-L486 HydrophobicContact CB-CD2 4.26Å; V224-L486 HydrophobicContact CG1-CD1 4.11Å; V224-L486 HydrophobicContact CG1-CD2 4.1Å; I396-L486 HydrophobicContact CG2-CD1 4.08Å; L454-L486 HydrophobicContact CD2-CB 3.95Å; L454-L486 WeakPolarHBondContact CD2-O 3.48Å; D484-L486 PolarHBondContact O-N 3.47Å; D484-L486 VanDerWaalsContact O-N 3.08Å; L486-E488 PolarHBondContact O-N 2.78Å
487	C	96.9	Very high	97.1	Very high	20 Å²	20	63.7 Å²	63.7	14%	0.135	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	37.7	173.4	-54.2	0	0	0	0	114	L454 E489 D490 L491	L454-C487 HydrophobicContact CD2-CB 4.07Å; C487-E489 VanDerWaalsContact C-N 3.31Å; C487-E489 PolarHBondContact O-N 3.13Å; C487-D490 PolarHBondContact O-N 3.37Å; C487-L491 PolarHBondContact O-N 2.97Å
488	E	96.7	Very high	97.1	Very high	70 Å²	70	65 Å²	65	33%	0.327	32%	0.319	S	S	.	.	H	α-helix	trans	-53.4	-45	-177.7	177.3	179.6	178.1	0	0	112.7	W485 L486 D490 L491 R492	W485-E488 HydrophobicContact CD2-CB 4.04Å; W485-E488 HydrophobicContact CD2-CG 3.86Å; W485-E488 HydrophobicContact CE3-CB 4.46Å; W485-E488 VanDerWaalsContact CE3-CD 3.47Å; W485-E488 HydrophobicContact CE3-CG 3.89Å; W485-E488 HydrophobicContact CG-CB 4.17Å; W485-E488 HydrophobicContact CH2-CG 4.1Å; W485-E488 HydrophobicContact CZ2-CG 4.02Å; W485-E488 HydrophobicContact CZ3-CG 4.02Å; W485-E488 WeakPolarHBondContact CZ3-OE1 3.45Å; L486-E488 PolarHBondContact O-N 2.78Å; E488-D490 PolarHBondContact O-N 2.9Å; E488-L491 PolarHBondContact O-N 3.21Å; E488-R492 HydrophobicContact CG-CG 4.23Å; E488-R492 WeakPolarHBondContact O-CB 2.98Å; E488-R492 WeakPolarHBondContact O-CG 3.49Å; E488-R492 PolarHBondContact O-N 3.14Å; E488-R492 IonicContact OE1-CZ 3.1Å; E488-R492 IonicContact OE1-NE 2.76Å; E488-R492 PolarHBondContact OE1-NE 2.81Å; E488-R492 IonicContact OE1-NH2 2.79Å; E488-R492 PolarHBondContact OE1-NH2 3.42Å
489	E	95.8	Very high	97	Very high	163 Å²	163	64.6 Å²	64.6	76%	0.762	32%	0.317	S	S	*	.	H	α-helix	trans	-60.4	-46	-177.1	-172.7	174.6	179	0	0	112.3	C487 L491 R492 K493	C487-E489 VanDerWaalsContact C-N 3.31Å; C487-E489 PolarHBondContact O-N 3.13Å; E489-L491 PolarHBondContact O-N 2.79Å; E489-R492 PolarHBondContact O-N 3.37Å; E489-K493 WeakPolarHBondContact O-CB 3.47Å; E489-K493 PolarHBondContact O-N 3.05Å
490	D	94.5	Very high	97.1	Very high	41 Å²	41	61.9 Å²	61.9	22%	0.219	31%	0.307	C	S	.	.	H	α-helix	trans	-59.2	-48.3	178.1	-62.5	-26.3	0	0	0	111.1	R458 H462 C487 E488 K493 M494	R458-D490 IonicContact CZ-OD2 2.78Å; R458-D490 IonicContact NE-OD2 3.84Å; R458-D490 PolarHBondContact NE-OD2 2.76Å; R458-D490 IonicContact NH2-OD2 2.83Å; R458-D490 PolarHBondContact NH2-OD2 3.37Å; H462-D490 IonicContact NE2-OD2 2.73Å; C487-D490 PolarHBondContact O-N 3.37Å; E488-D490 PolarHBondContact O-N 2.9Å; D490-K493 WeakPolarHBondContact O-CB 3.37Å; D490-K493 PolarHBondContact O-N 3.09Å; D490-M494 WeakPolarHBondContact O-CG 3.49Å; D490-M494 PolarHBondContact O-N 2.81Å; D490-M494 VanDerWaalsContact O-N 3.11Å
491	L	97.9	Very high	97.1	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-41.9	-177.2	-62.5	179.9	0	0	0	111	L454 L461 L474 C487 E488 E489 K493 M494 V495 L500 L502	L454-L491 HydrophobicContact CD1-CD1 4.28Å; L454-L491 HydrophobicContact CD1-CD2 4.5Å; L454-L491 HydrophobicContact CD2-CD1 4.31Å; L461-L491 HydrophobicContact CD1-CD2 4.02Å; L474-L491 HydrophobicContact CD2-CD1 4.2Å; L474-L491 HydrophobicContact CD2-CD2 3.95Å; C487-L491 PolarHBondContact O-N 2.97Å; E488-L491 PolarHBondContact O-N 3.21Å; E489-L491 PolarHBondContact O-N 2.79Å; L491-K493 VanDerWaalsContact C-N 3.32Å; L491-K493 PolarHBondContact O-N 2.85Å; L491-M494 PolarHBondContact O-N 3.43Å; L491-V495 WeakPolarHBondContact O-CG2 3.48Å; L491-V495 PolarHBondContact O-N 3.2Å; L491-L500 HydrophobicContact CB-CD2 4.29Å; L491-L500 HydrophobicContact CD2-CD2 3.86Å; L491-L502 HydrophobicContact CB-CD2 4.08Å; L491-L502 HydrophobicContact CD1-CD1 4.47Å
492	R	98	Very high	97.2	Very high	129 Å²	129	57 Å²	57	49%	0.487	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-39.3	175.6	-74.9	-173.8	-177	-78.7	6.2	112.2	E488 E489 M494 V495 S496	E488-R492 HydrophobicContact CG-CG 4.23Å; E488-R492 WeakPolarHBondContact O-CB 2.98Å; E488-R492 WeakPolarHBondContact O-CG 3.49Å; E488-R492 PolarHBondContact O-N 3.14Å; E488-R492 IonicContact OE1-CZ 3.1Å; E488-R492 IonicContact OE1-NE 2.76Å; E488-R492 PolarHBondContact OE1-NE 2.81Å; E488-R492 IonicContact OE1-NH2 2.79Å; E488-R492 PolarHBondContact OE1-NH2 3.42Å; E489-R492 PolarHBondContact O-N 3.37Å; R492-M494 VanDerWaalsContact C-N 3.34Å; R492-M494 PolarHBondContact O-N 3.31Å; R492-V495 PolarHBondContact O-N 3.2Å; R492-S496 PolarHBondContact O-N 3.17Å
493	K	97.7	Very high	97.3	Very high	145 Å²	145	51 Å²	51	63%	0.63	27%	0.27	S	S	*	.	H	α-helix	trans	-61.1	-42.9	175.5	-172.9	176.3	-179.3	176.2	0	111.5	E489 D490 L491 V495 S496 N497	E489-K493 WeakPolarHBondContact O-CB 3.47Å; E489-K493 PolarHBondContact O-N 3.05Å; D490-K493 WeakPolarHBondContact O-CB 3.37Å; D490-K493 PolarHBondContact O-N 3.09Å; L491-K493 VanDerWaalsContact C-N 3.32Å; L491-K493 PolarHBondContact O-N 2.85Å; K493-V495 VanDerWaalsContact C-N 3.34Å; K493-S496 PolarHBondContact O-N 2.65Å; K493-S496 PolarHBondContact O-OG 3.16Å; K493-N497 PolarHBondContact O-N 2.69Å
494	M	97.9	Very high	97.3	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-71.3	-26.8	176.7	-65.3	-178	-165.1	0	0	113.9	L461 H462 N465 D490 L491 R492 N497 G498 T499 L500	L461-M494 HydrophobicContact CB-CE 4.29Å; L461-M494 HydrophobicContact CB-SD 3.69Å; H462-M494 HydrophobicContact CB-CE 4.1Å; H462-M494 WeakPolarHBondContact CD2-CE 3.41Å; H462-M494 VanDerWaalsContact CE1-CE 3.44Å; H462-M494 WeakPolarHBondContact CE1-CE 3.27Å; H462-M494 WeakPolarHBondContact ND1-CE 3.29Å; H462-M494 WeakPolarHBondContact NE2-CE 3.31Å; N465-M494 HydrophobicContact CB-CE 4.36Å; N465-M494 HydrophobicContact CB-CG 4.39Å; N465-M494 HydrophobicContact CB-SD 4.38Å; D490-M494 WeakPolarHBondContact O-CG 3.49Å; D490-M494 PolarHBondContact O-N 2.81Å; D490-M494 VanDerWaalsContact O-N 3.11Å; L491-M494 PolarHBondContact O-N 3.43Å; R492-M494 VanDerWaalsContact C-N 3.34Å; R492-M494 PolarHBondContact O-N 3.31Å; M494-N497 WeakPolarHBondContact CA-OD1 3.18Å; M494-N497 PolarHBondContact O-OD1 2.68Å; M494-G498 PolarHBondContact O-N 3.37Å; M494-T499 HydrophobicContact CB-CG2 4.38Å; M494-T499 PolarHBondContact O-N 2.87Å; M494-T499 HydrophobicContact SD-CG2 4.47Å; M494-L500 HydrophobicContact CB-CB 3.8Å; M494-L500 HydrophobicContact CB-CD2 4.35Å; M494-L500 PolarHBondContact O-N 3.33Å
495	V	98.3	Very high	97.4	Very high	65 Å²	65	47.8 Å²	47.8	39%	0.394	26%	0.258	S	S	.	.	H	α-helix	trans	-67	-47.6	168.3	173	0	0	0	0	109.9	L491 R492 K493 N497 G498 L500 L502	L491-V495 WeakPolarHBondContact O-CG2 3.48Å; L491-V495 PolarHBondContact O-N 3.2Å; R492-V495 PolarHBondContact O-N 3.2Å; K493-V495 VanDerWaalsContact C-N 3.34Å; V495-N497 PolarHBondContact O-N 2.93Å; V495-G498 PolarHBondContact O-N 3.34Å; V495-L500 WeakPolarHBondContact CA-O 3.46Å; V495-L500 HydrophobicContact CG2-CB 4.28Å; V495-L500 HydrophobicContact CG2-CD2 4.32Å; V495-L500 HydrophobicContact CG2-CG 4.3Å; V495-L500 WeakPolarHBondContact CG2-O 3.12Å; V495-L502 HydrophobicContact CG2-CB 3.56Å; V495-L502 HydrophobicContact CG2-CD2 4.3Å
496	S	97.6	Very high	97.4	Very high	101 Å²	101	47.6 Å²	47.6	71%	0.706	26%	0.257	S	S	*	.	H	α-helix	trans	-61.7	-30.3	-176.5	74.5	0	0	0	0	113.9	R492 K493	R492-S496 PolarHBondContact O-N 3.17Å; K493-S496 PolarHBondContact O-N 2.65Å; K493-S496 PolarHBondContact O-OG 3.16Å
497	N	96.4	Very high	97.4	Very high	59 Å²	59	48 Å²	48	32%	0.316	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	3.8	178.5	73.5	19.7	0	0	0	113.7	N465 R470 K493 M494 V495 T499	N465-N497 PolarHBondContact OD1-ND2 2.82Å; R470-N497 VanDerWaalsContact NH1-CG 3.34Å; R470-N497 PolarHBondContact NH1-O 2.72Å; R470-N497 PolarHBondContact NH1-OD1 2.82Å; R470-N497 VanDerWaalsContact NH1-OD1 3.07Å; K493-N497 PolarHBondContact O-N 2.69Å; M494-N497 WeakPolarHBondContact CA-OD1 3.18Å; M494-N497 PolarHBondContact O-OD1 2.68Å; V495-N497 PolarHBondContact O-N 2.93Å; N497-T499 VanDerWaalsContact C-N 3.34Å; N497-T499 PolarHBondContact O-N 3.32Å; N497-T499 WeakPolarHBondContact OD1-CB 3.35Å; N497-T499 PolarHBondContact OD1-N 2.83Å; N497-T499 PolarHBondContact OD1-OG1 2.83Å
498	G	96.8	Very high	97.4	Very high	37 Å²	37	52.4 Å²	52.4	38%	0.381	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	5.6	177.3	0	0	0	0	0	115.7	R470 M494 V495 L500	R470-G498 WeakPolarHBondContact CA-O 3.48Å; R470-G498 VanDerWaalsContact CB-O 3.32Å; R470-G498 WeakPolarHBondContact CB-O 3.45Å; R470-G498 VanDerWaalsContact CD-C 3.5Å; R470-G498 WeakPolarHBondContact CD-O 3.44Å; M494-G498 PolarHBondContact O-N 3.37Å; V495-G498 PolarHBondContact O-N 3.34Å; G498-L500 PolarHBondContact O-N 3.35Å
499	T	96.3	Very high	97.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-64.7	-31.8	172.9	-79.3	0	0	0	0	112.7	N465 V469 R470 S472 M494 N497	N465-T499 HydrophobicContact CB-CG2 3.94Å; N465-T499 PolarHBondContact OD1-OG1 2.93Å; V469-T499 PolarHBondContact O-OG1 3.32Å; V469-T499 VanDerWaalsContact O-OG1 3.12Å; R470-T499 PolarHBondContact NH1-OG1 3.22Å; S472-T499 VanDerWaalsContact CB-O 3.23Å; S472-T499 WeakPolarHBondContact CB-O 3.48Å; S472-T499 PolarHBondContact OG-O 3.28Å; M494-T499 HydrophobicContact CB-CG2 4.38Å; M494-T499 PolarHBondContact O-N 2.87Å; M494-T499 HydrophobicContact SD-CG2 4.47Å; N497-T499 VanDerWaalsContact C-N 3.34Å; N497-T499 PolarHBondContact O-N 3.32Å; N497-T499 WeakPolarHBondContact OD1-CB 3.35Å; N497-T499 PolarHBondContact OD1-N 2.83Å; N497-T499 PolarHBondContact OD1-OG1 2.83Å
500	L	98.3	Very high	97.3	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	25%	0.254	C	S	.	.			trans	-130.3	126	-168.4	-175.3	60.4	0	0	0	112.4	L461 S472 L474 L491 M494 V495 G498 L502	L461-L500 HydrophobicContact CD1-CD1 4.16Å; L461-L500 HydrophobicContact CD1-CD2 4.19Å; L461-L500 HydrophobicContact CD2-CD1 3.66Å; S472-L500 WeakPolarHBondContact O-CA 3.48Å; L474-L500 HydrophobicContact CB-CD1 3.53Å; L474-L500 HydrophobicContact CB-CD2 4.49Å; L474-L500 HydrophobicContact CB-CG 4.43Å; L474-L500 HydrophobicContact CD2-CD2 4.39Å; L491-L500 HydrophobicContact CB-CD2 4.29Å; L491-L500 HydrophobicContact CD2-CD2 3.86Å; M494-L500 HydrophobicContact CB-CB 3.8Å; M494-L500 HydrophobicContact CB-CD2 4.35Å; M494-L500 PolarHBondContact O-N 3.33Å; V495-L500 WeakPolarHBondContact CA-O 3.46Å; V495-L500 HydrophobicContact CG2-CB 4.28Å; V495-L500 HydrophobicContact CG2-CD2 4.32Å; V495-L500 HydrophobicContact CG2-CG 4.3Å; V495-L500 WeakPolarHBondContact CG2-O 3.12Å; G498-L500 PolarHBondContact O-N 3.35Å; L500-L502 HydrophobicContact CD2-CB 4.21Å; L500-L502 HydrophobicContact CD2-CD1 4.31Å; L500-L502 HydrophobicContact CG-CB 4.21Å
501	A	98.3	Very high	97.4	Very high	44 Å²	44	52.3 Å²	52.3	36%	0.364	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	112.5	157	0	0	0	0	0	108.7	S472 W473 L474	S472-A501 PolarHBondContact O-N 3.39Å; W473-A501 CarbonylContact C-O 3.6Å; W473-A501 WeakPolarHBondContact CA-O 3.41Å; W473-A501 VanDerWaalsContact CD1-CB 3.43Å; W473-A501 HydrophobicContact CG-CB 4.03Å; L474-A501 PolarHBondContact N-O 3.33Å
502	L	98.4	Very high	97.3	Very high	47 Å²	47	59.2 Å²	59.2	25%	0.246	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.7	-173.3	-179.1	65.2	0	0	0	112	L474 F476 W485 L491 V495 L500 V504	L474-L502 HydrophobicContact CB-CD1 4.04Å; L474-L502 HydrophobicContact CD2-CD1 3.74Å; L474-L502 HydrophobicContact CG-CD1 3.87Å; F476-L502 HydrophobicContact CB-CD1 4.42Å; W485-L502 HydrophobicContact CZ2-CD2 4.13Å; L491-L502 HydrophobicContact CB-CD2 4.08Å; L491-L502 HydrophobicContact CD1-CD1 4.47Å; V495-L502 HydrophobicContact CG2-CB 3.56Å; V495-L502 HydrophobicContact CG2-CD2 4.3Å; L500-L502 HydrophobicContact CD2-CB 4.21Å; L500-L502 HydrophobicContact CD2-CD1 4.31Å; L500-L502 HydrophobicContact CG-CB 4.21Å; L502-V504 HydrophobicContact CD1-CG2 3.92Å; L502-V504 HydrophobicContact CD2-CG2 3.75Å; L502-V504 HydrophobicContact CG-CG2 3.65Å
503	S	98.3	Very high	97.2	Very high	14 Å²	14	59.2 Å²	59.2	10%	0.098	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	113.2	170.6	174	0	0	0	0	109	L474 F475 F476 N519	L474-S503 PolarHBondContact O-N 2.96Å; F475-S503 CarbonylContact C-O 3.54Å; F475-S503 WeakPolarHBondContact CA-O 3.4Å; F476-S503 PolarHBondContact N-O 3Å; S503-N519 WeakPolarHBondContact OG-CB 3.4Å; S503-N519 PolarHBondContact OG-ND2 2.88Å
504	V	98.1	Very high	97.1	Very high	27 Å²	27	53.4 Å²	53.4	16%	0.164	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.2	-178.9	-166.5	0	0	0	0	110.8	F476 W485 L502 F506 N519	F476-V504 HydrophobicContact CD1-CG1 4.08Å; F476-V504 CarbonylContact O-C 3.55Å; F476-V504 VanDerWaalsContact O-CA 3.27Å; F476-V504 WeakPolarHBondContact O-CA 3.44Å; W485-V504 HydrophobicContact CZ2-CG2 3.79Å; L502-V504 HydrophobicContact CD1-CG2 3.92Å; L502-V504 HydrophobicContact CD2-CG2 3.75Å; L502-V504 HydrophobicContact CG-CG2 3.65Å; V504-F506 HydrophobicContact CB-CE1 4.39Å; V504-F506 HydrophobicContact CB-CE2 4.12Å; V504-F506 HydrophobicContact CB-CZ 3.88Å; V504-F506 HydrophobicContact CG1-CD1 4.05Å; V504-F506 HydrophobicContact CG1-CE1 3.45Å; V504-F506 VanDerWaalsContact CG1-CE1 3.45Å; V504-F506 HydrophobicContact CG1-CE2 4Å; V504-F506 HydrophobicContact CG1-CZ 3.43Å; V504-F506 VanDerWaalsContact CG1-CZ 3.43Å; V504-N519 PolarHBondContact O-ND2 2.81Å; V504-N519 VanDerWaalsContact O-ND2 3.1Å
505	A	97.8	Very high	97.1	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.5	173.9	0	0	0	0	0	109.9	F476 G477 C478 V514 Y515 V516	F476-A505 PolarHBondContact O-N 2.74Å; G477-A505 WeakPolarHBondContact CA-O 3.47Å; C478-A505 PolarHBondContact N-O 2.75Å; C478-A505 VanDerWaalsContact O-O 3.12Å; A505-V514 HydrophobicContact CB-CG1 4.32Å; A505-Y515 VanDerWaalsContact CB-C 3.44Å; A505-V516 HydrophobicContact CB-CG1 4.41Å
506	F	97.9	Very high	97	Very high	21 Å²	21	54.7 Å²	54.7	9%	0.092	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	101.1	172.5	-54.1	-68.9	0	0	0	108.8	C478 R479 R481 W485 V504 R508 D509 Q510	C478-F506 WeakPolarHBondContact SG-CD1 3.2Å; R479-F506 CarbonylContact O-C 3.5Å; R481-F506 VanDerWaalsContact CA-CD1 3.49Å; R481-F506 HydrophobicContact CB-CD1 3.86Å; R481-F506 HydrophobicContact CB-CD2 4.3Å; R481-F506 HydrophobicContact CB-CE1 3.72Å; R481-F506 HydrophobicContact CB-CE2 4.17Å; R481-F506 HydrophobicContact CB-CG 4.16Å; R481-F506 HydrophobicContact CB-CZ 3.88Å; R481-F506 HydrophobicContact CG-CE1 4.07Å; R481-F506 HydrophobicContact CG-CE2 4.24Å; R481-F506 HydrophobicContact CG-CZ 3.83Å; W485-F506 HydrophobicContact CB-CE1 4.33Å; W485-F506 HydrophobicContact CD2-CE1 4.05Å; W485-F506 AromaticContact CD2-CZ 4Å; W485-F506 HydrophobicContact CD2-CZ 4Å; W485-F506 HydrophobicContact CE3-CE1 4.03Å; W485-F506 AromaticContact CE3-CZ 3.7Å; W485-F506 HydrophobicContact CE3-CZ 3.7Å; W485-F506 HydrophobicContact CG-CE1 4.22Å; W485-F506 HydrophobicContact CH2-CZ 4.33Å; W485-F506 AromaticContact CZ3-CZ 3.87Å; W485-F506 HydrophobicContact CZ3-CZ 3.87Å; V504-F506 HydrophobicContact CB-CE1 4.39Å; V504-F506 HydrophobicContact CB-CE2 4.12Å; V504-F506 HydrophobicContact CB-CZ 3.88Å; V504-F506 HydrophobicContact CG1-CD1 4.05Å; V504-F506 HydrophobicContact CG1-CE1 3.45Å; V504-F506 VanDerWaalsContact CG1-CE1 3.45Å; V504-F506 HydrophobicContact CG1-CE2 4Å; V504-F506 HydrophobicContact CG1-CZ 3.43Å; V504-F506 VanDerWaalsContact CG1-CZ 3.43Å; F506-R508 PolarHBondContact O-N 2.83Å; F506-R508 VanDerWaalsContact O-N 3.15Å; F506-D509 HydrophobicContact CB-CB 4.04Å; F506-D509 VanDerWaalsContact CB-OD2 3.23Å; F506-D509 WeakPolarHBondContact CB-OD2 3.44Å; F506-D509 WeakPolarHBondContact CG-OD2 3.33Å; F506-Q510 PolarHBondContact O-NE2 2.65Å; F506-Q510 PolarHBondContact O-OE1 3.15Å
507	S	96.6	Very high	96.9	Very high	12 Å²	12	50.8 Å²	50.8	8%	0.084	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.1	-168.3	57.9	0	0	0	0	115.4	C478 R479 K513 V514	C478-S507 PolarHBondContact O-N 2.77Å; C478-S507 PolarHBondContact O-OG 3.01Å; R479-S507 WeakPolarHBondContact CA-OG 3.06Å; R479-S507 PolarHBondContact O-N 3.35Å; S507-K513 WeakPolarHBondContact O-CA 3.26Å; S507-V514 WeakPolarHBondContact CA-O 3.47Å; S507-V514 WeakPolarHBondContact CB-O 3.4Å; S507-V514 PolarHBondContact N-O 3.5Å
508	R	96.7	Very high	97	Very high	114 Å²	114	50.5 Å²	50.5	43%	0.43	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140	8.1	-173.2	-56.3	-172.8	-173.4	-169.6	-1.9	114.8	R479 Y480 F506 Q510	R479-R508 HydrophobicContact CB-CG 4.32Å; R479-R508 WeakPolarHBondContact O-CB 3.47Å; R479-R508 PolarHBondContact O-N 2.89Å; Y480-R508 HydrophobicContact CD1-CB 3.81Å; Y480-R508 HydrophobicContact CE1-CB 3.26Å; Y480-R508 HydrophobicContact CE1-CG 4.42Å; Y480-R508 VanDerWaalsContact CE1-O 3.28Å; Y480-R508 WeakPolarHBondContact CE1-O 3.46Å; Y480-R508 HydrophobicContact CE2-CB 4.38Å; Y480-R508 WeakPolarHBondContact OH-CD 3.47Å; F506-R508 PolarHBondContact O-N 2.83Å; F506-R508 VanDerWaalsContact O-N 3.15Å; R508-Q510 PolarHBondContact O-N 3.26Å
509	D	96.1	Very high	97	Very high	69 Å²	69	49.6 Å²	49.6	37%	0.369	25%	0.253	S	S	.	.	S	Bend	trans	-70.4	-16.3	173.6	-78.2	-3.4	0	0	0	112.2	Y480 R481 F506	Y480-D509 WeakPolarHBondContact CA-OD1 3.45Å; Y480-D509 WeakPolarHBondContact CB-OD1 3.21Å; R481-D509 VanDerWaalsContact CB-OD2 3.25Å; R481-D509 WeakPolarHBondContact CB-OD2 3.47Å; R481-D509 PolarHBondContact N-OD1 3.1Å; R481-D509 PolarHBondContact N-OD2 3.14Å; F506-D509 HydrophobicContact CB-CB 4.04Å; F506-D509 VanDerWaalsContact CB-OD2 3.23Å; F506-D509 WeakPolarHBondContact CB-OD2 3.44Å; F506-D509 WeakPolarHBondContact CG-OD2 3.33Å
510	Q	96.1	Very high	97.1	Very high	62 Å²	62	49.6 Å²	49.6	29%	0.29	25%	0.253	S	S	.	.	S	Bend	trans	-135.7	163.3	179.7	67.7	-69.6	-28.5	0	0	110.6	F506 R508 E512 V514	F506-Q510 PolarHBondContact O-NE2 2.65Å; F506-Q510 PolarHBondContact O-OE1 3.15Å; R508-Q510 PolarHBondContact O-N 3.26Å; Q510-E512 VanDerWaalsContact C-N 3.32Å; Q510-E512 HydrophobicContact CG-CG 3.87Å; Q510-E512 VanDerWaalsContact CG-O 3.28Å; Q510-E512 WeakPolarHBondContact CG-O 3.34Å; Q510-E512 PolarHBondContact NE2-O 2.71Å; Q510-E512 PolarHBondContact O-N 3Å; Q510-V514 VanDerWaalsContact NE2-CG2 3.28Å
511	P	95.2	Very high	97.1	Very high	141 Å²	141	53.4 Å²	53.4	92%	0.916	27%	0.27	S	S	*	.	S	Bend	trans	-60.3	-38.2	-177.6	-25.5	35.2	0	0	0	114
512	E	96	Very high	97.1	Very high	145 Å²	145	58.4 Å²	58.4	68%	0.678	28%	0.284	S	S	*	.	S	Bend	trans	-81.8	131.7	175.8	62.8	-171.4	-170.7	0	0	111.3	Q510 V514	Q510-E512 VanDerWaalsContact C-N 3.32Å; Q510-E512 HydrophobicContact CG-CG 3.87Å; Q510-E512 VanDerWaalsContact CG-O 3.28Å; Q510-E512 WeakPolarHBondContact CG-O 3.34Å; Q510-E512 PolarHBondContact NE2-O 2.71Å; Q510-E512 PolarHBondContact O-N 3Å; E512-V514 PolarHBondContact O-N 3Å
513	K	96	Very high	97	Very high	130 Å²	130	59.4 Å²	59.4	57%	0.565	29%	0.287	S	S	*	.			trans	-75.8	123.7	-179.5	-59.5	-169.7	-172.2	163.7	0	109.9	S507 Y515	S507-K513 WeakPolarHBondContact O-CA 3.26Å; K513-Y515 HydrophobicContact CB-CD2 4.25Å; K513-Y515 HydrophobicContact CB-CE2 3.57Å; K513-Y515 HydrophobicContact CD-CE2 4.07Å; K513-Y515 WeakPolarHBondContact CD-OH 3.4Å
514	V	96.7	Very high	97	Very high	22 Å²	22	64.3 Å²	64.3	13%	0.133	30%	0.303	C	S	.	.			trans	-111.1	119.9	174.3	177.4	0	0	0	0	109.1	A505 S507 Q510 E512 D518	A505-V514 HydrophobicContact CB-CG1 4.32Å; S507-V514 WeakPolarHBondContact CA-O 3.47Å; S507-V514 WeakPolarHBondContact CB-O 3.4Å; S507-V514 PolarHBondContact N-O 3.5Å; Q510-V514 VanDerWaalsContact NE2-CG2 3.28Å; E512-V514 PolarHBondContact O-N 3Å; V514-D518 HydrophobicContact CG1-CB 4.33Å
515	Y	96.4	Very high	97	Very high	91 Å²	91	65.7 Å²	65.7	36%	0.357	32%	0.318	S	S	.	.			trans	-112.7	174.8	179.8	-63.2	-76.4	0	0	0	111.6	A505 K513 Q517 D518 N519	A505-Y515 VanDerWaalsContact CB-C 3.44Å; K513-Y515 HydrophobicContact CB-CD2 4.25Å; K513-Y515 HydrophobicContact CB-CE2 3.57Å; K513-Y515 HydrophobicContact CD-CE2 4.07Å; K513-Y515 WeakPolarHBondContact CD-OH 3.4Å; Y515-Q517 VanDerWaalsContact C-N 3.29Å; Y515-Q517 VanDerWaalsContact CB-CD 3.43Å; Y515-Q517 PolarHBondContact O-N 3.35Å; Y515-D518 PolarHBondContact N-OD2 3.5Å; Y515-D518 WeakPolarHBondContact O-CB 3.46Å; Y515-D518 PolarHBondContact O-N 3.16Å; Y515-D518 VanDerWaalsContact O-N 3.14Å; Y515-N519 PolarHBondContact O-N 3.44Å
516	V	97.1	Very high	97	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.03	33%	0.332	C	S	.	.	H	α-helix	trans	-59.1	-40.1	-177.3	-67.1	0	0	0	0	112.1	V448 F475 G477 A505 D518 N519 M520 M547 V551	V448-V516 HydrophobicContact CG1-CB 4.06Å; V448-V516 HydrophobicContact CG1-CG2 3.76Å; F475-V516 HydrophobicContact CB-CB 4.42Å; G477-V516 VanDerWaalsContact N-CG1 3.34Å; A505-V516 HydrophobicContact CB-CG1 4.41Å; V516-D518 VanDerWaalsContact C-N 3.27Å; V516-D518 PolarHBondContact O-N 3.24Å; V516-N519 PolarHBondContact O-N 3.43Å; V516-M520 WeakPolarHBondContact O-CG 3.15Å; V516-M520 PolarHBondContact O-N 3.24Å; V516-M547 HydrophobicContact CG2-CG 4.31Å; V516-V551 HydrophobicContact CG2-CG2 3.95Å
517	Q	96.4	Very high	97	Very high	19 Å²	19	67.5 Å²	67.5	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-31.5	178.3	65	-86.2	20.9	0	0	113.1	Y515 M520 K521 Q550 A554	Y515-Q517 VanDerWaalsContact C-N 3.29Å; Y515-Q517 VanDerWaalsContact CB-CD 3.43Å; Y515-Q517 PolarHBondContact O-N 3.35Å; Q517-M520 WeakPolarHBondContact O-CB 3.28Å; Q517-M520 PolarHBondContact O-N 3.14Å; Q517-K521 WeakPolarHBondContact O-CG 3.38Å; Q517-K521 PolarHBondContact O-N 3.13Å; Q517-Q550 HydrophobicContact CG-CB 4.37Å; Q517-A554 HydrophobicContact CB-CB 3.85Å
518	D	96.9	Very high	97.1	Very high	53 Å²	53	69.2 Å²	69.2	28%	0.283	33%	0.333	S	S	.	.	H	α-helix	trans	-69.8	-41.5	178.6	-55.7	-49.1	0	0	0	109.8	V514 Y515 V516 K521 K522	V514-D518 HydrophobicContact CG1-CB 4.33Å; Y515-D518 PolarHBondContact N-OD2 3.5Å; Y515-D518 WeakPolarHBondContact O-CB 3.46Å; Y515-D518 PolarHBondContact O-N 3.16Å; Y515-D518 VanDerWaalsContact O-N 3.14Å; V516-D518 VanDerWaalsContact C-N 3.27Å; V516-D518 PolarHBondContact O-N 3.24Å; D518-K521 PolarHBondContact O-N 3.49Å; D518-K522 WeakPolarHBondContact O-CG 3.42Å; D518-K522 PolarHBondContact O-N 3.02Å; D518-K522 VanDerWaalsContact O-N 3.11Å
519	N	97.9	Very high	97.2	Very high	18 Å²	18	66.2 Å²	66.2	10%	0.096	33%	0.325	C	S	.	.	H	α-helix	trans	-68.2	-34.3	173.8	-76.1	-1.3	0	0	0	112.5	F475 S503 V504 Y515 V516 K522 Q523	F475-N519 HydrophobicContact CD1-CB 4.18Å; F475-N519 HydrophobicContact CE1-CB 4.49Å; S503-N519 WeakPolarHBondContact OG-CB 3.4Å; S503-N519 PolarHBondContact OG-ND2 2.88Å; V504-N519 PolarHBondContact O-ND2 2.81Å; V504-N519 VanDerWaalsContact O-ND2 3.1Å; Y515-N519 PolarHBondContact O-N 3.44Å; V516-N519 PolarHBondContact O-N 3.43Å; N519-K522 PolarHBondContact O-N 3.22Å; N519-Q523 PolarHBondContact O-N 2.81Å
520	M	98.4	Very high	97.2	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-48.3	172.4	-71.2	174	67.5	0	0	111	V448 F475 V516 Q517 K522 Q523 R524 L527 V551 I555	V448-M520 HydrophobicContact CG1-SD 4.3Å; V448-M520 HydrophobicContact CG2-CE 4.35Å; V448-M520 HydrophobicContact CG2-SD 3.96Å; F475-M520 HydrophobicContact CB-CG 4.28Å; F475-M520 HydrophobicContact CD1-CB 4.38Å; F475-M520 HydrophobicContact CD1-CG 3.49Å; F475-M520 VanDerWaalsContact CD1-CG 3.49Å; F475-M520 HydrophobicContact CD2-CG 4.18Å; F475-M520 HydrophobicContact CE1-CB 4.32Å; F475-M520 HydrophobicContact CE1-CG 3.81Å; F475-M520 HydrophobicContact CE2-CG 4.45Å; F475-M520 HydrophobicContact CG-CG 3.71Å; F475-M520 HydrophobicContact CZ-CG 4.28Å; V516-M520 WeakPolarHBondContact O-CG 3.15Å; V516-M520 PolarHBondContact O-N 3.24Å; Q517-M520 WeakPolarHBondContact O-CB 3.28Å; Q517-M520 PolarHBondContact O-N 3.14Å; M520-K522 VanDerWaalsContact C-N 3.28Å; M520-K522 PolarHBondContact O-N 3.13Å; M520-Q523 CarbonylContact O-C 3.39Å; M520-Q523 VanDerWaalsContact O-C 3.29Å; M520-Q523 WeakPolarHBondContact O-CA 3.48Å; M520-Q523 PolarHBondContact O-N 2.92Å; M520-R524 PolarHBondContact O-N 3.31Å; M520-L527 HydrophobicContact CB-CD1 3.53Å; M520-L527 HydrophobicContact CE-CD1 4.03Å; M520-L527 HydrophobicContact CG-CD1 3.86Å; M520-L527 WeakPolarHBondContact O-CD1 3.44Å; M520-V551 HydrophobicContact CE-CG1 3.93Å; M520-V551 HydrophobicContact SD-CG1 3.93Å; M520-V551 HydrophobicContact SD-CG2 4.39Å; M520-I555 HydrophobicContact CE-CD1 4.47Å; M520-I555 HydrophobicContact CE-CG1 3.93Å
521	K	97.7	Very high	97.3	Very high	86 Å²	86	60.1 Å²	60.1	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-36	177.6	-73.1	179.1	178.1	-165.3	0	113	Q517 D518 Q523 R524 A554 D557	Q517-K521 WeakPolarHBondContact O-CG 3.38Å; Q517-K521 PolarHBondContact O-N 3.13Å; D518-K521 PolarHBondContact O-N 3.49Å; K521-Q523 PolarHBondContact O-N 3.41Å; K521-R524 WeakPolarHBondContact O-CB 3.07Å; K521-R524 WeakPolarHBondContact O-CG 3.42Å; K521-R524 PolarHBondContact O-N 3.5Å; K521-A554 HydrophobicContact CG-CB 4.41Å; K521-D557 WeakPolarHBondContact CE-OD2 3.01Å; K521-D557 IonicContact NZ-OD2 3.64Å
522	K	97.5	Very high	97.4	Very high	150 Å²	150	58.2 Å²	58.2	65%	0.652	27%	0.27	S	S	*	.	H	α-helix	trans	-63.5	-24.7	173.2	-70.7	171.5	-172.7	171.4	0	113.3	D518 N519 M520	D518-K522 WeakPolarHBondContact O-CG 3.42Å; D518-K522 PolarHBondContact O-N 3.02Å; D518-K522 VanDerWaalsContact O-N 3.11Å; N519-K522 PolarHBondContact O-N 3.22Å; M520-K522 VanDerWaalsContact C-N 3.28Å; M520-K522 PolarHBondContact O-N 3.13Å
523	Q	97.7	Very high	97.3	Very high	67 Å²	67	54.3 Å²	54.3	31%	0.313	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	27.5	178.8	-59.6	-173.8	31.9	0	0	112.2	F475 N519 M520 K521 A525 L526 L527	F475-Q523 HydrophobicContact CZ-CB 4.38Å; N519-Q523 PolarHBondContact O-N 2.81Å; M520-Q523 CarbonylContact O-C 3.39Å; M520-Q523 VanDerWaalsContact O-C 3.29Å; M520-Q523 WeakPolarHBondContact O-CA 3.48Å; M520-Q523 PolarHBondContact O-N 2.92Å; K521-Q523 PolarHBondContact O-N 3.41Å; Q523-A525 PolarHBondContact O-N 3.03Å; Q523-L526 WeakPolarHBondContact O-CB 3.36Å; Q523-L526 PolarHBondContact O-N 3.08Å; Q523-L526 VanDerWaalsContact O-N 3.14Å; Q523-L527 PolarHBondContact O-N 2.9Å
524	R	97.7	Very high	97.3	Very high	117 Å²	117	54.9 Å²	54.9	44%	0.442	26%	0.261	S	S	.	.	H	α-helix	trans	-53.7	-42.9	-173.2	59.2	-176.9	-161.2	-163.3	2.9	114.7	M520 K521 L526 L527 Y528 I558 E562	M520-R524 PolarHBondContact O-N 3.31Å; K521-R524 WeakPolarHBondContact O-CB 3.07Å; K521-R524 WeakPolarHBondContact O-CG 3.42Å; K521-R524 PolarHBondContact O-N 3.5Å; R524-L526 PolarHBondContact O-N 3.39Å; R524-L527 PolarHBondContact O-N 2.8Å; R524-Y528 WeakPolarHBondContact O-CB 3.44Å; R524-Y528 PolarHBondContact O-N 3.31Å; R524-I558 HydrophobicContact CB-CG1 3.75Å; R524-I558 HydrophobicContact CB-CG2 4.34Å; R524-I558 WeakPolarHBondContact O-CG2 3.38Å; R524-E562 HydrophobicContact CB-CG 4.1Å; R524-E562 VanDerWaalsContact CD-OE1 3.22Å; R524-E562 WeakPolarHBondContact CD-OE1 3.42Å; R524-E562 HydrophobicContact CG-CG 4.03Å; R524-E562 VanDerWaalsContact CG-OE1 3.3Å; R524-E562 WeakPolarHBondContact CG-OE1 3.32Å; R524-E562 IonicContact CZ-OE1 3.62Å; R524-E562 IonicContact NE-OE1 2.66Å; R524-E562 PolarHBondContact NE-OE1 3Å; R524-E562 IonicContact NH2-OE1 3.27Å
525	A	97.9	Very high	97.2	Very high	57 Å²	57	58.5 Å²	58.5	47%	0.471	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-41.9	179.7	0	0	0	0	0	112.3	Q523 D529	Q523-A525 PolarHBondContact O-N 3.03Å; A525-D529 PolarHBondContact O-N 3.31Å; A525-D529 VanDerWaalsContact O-N 3.12Å
526	L	98	Very high	97.2	Very high	60 Å²	60	54.2 Å²	54.2	31%	0.314	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-47.3	174.4	170.8	65.7	0	0	0	111.1	Q523 R524 Y528 D529 L530	Q523-L526 WeakPolarHBondContact O-CB 3.36Å; Q523-L526 PolarHBondContact O-N 3.08Å; Q523-L526 VanDerWaalsContact O-N 3.14Å; R524-L526 PolarHBondContact O-N 3.39Å; L526-Y528 VanDerWaalsContact C-N 3.31Å; L526-Y528 PolarHBondContact O-N 3.05Å; L526-D529 PolarHBondContact O-N 3.23Å; L526-L530 HydrophobicContact CD1-CD1 3.96Å; L526-L530 HydrophobicContact CD1-CG 4.1Å; L526-L530 HydrophobicContact CG-CD1 3.96Å; L526-L530 HydrophobicContact CG-CG 4.46Å; L526-L530 VanDerWaalsContact O-CG 3.29Å; L526-L530 WeakPolarHBondContact O-CG 3.44Å; L526-L530 PolarHBondContact O-N 2.7Å
527	L	98.3	Very high	97.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-35.3	-180	-76.8	175.5	0	0	0	112.5	V446 F475 M520 Q523 R524 L530 I531 I558	V446-L527 HydrophobicContact CG1-CD2 3.76Å; V446-L527 HydrophobicContact CG2-CD2 3.91Å; F475-L527 HydrophobicContact CE2-CD1 4.34Å; F475-L527 HydrophobicContact CE2-CD2 3.78Å; F475-L527 HydrophobicContact CE2-CG 4.39Å; F475-L527 HydrophobicContact CZ-CD1 3.98Å; F475-L527 HydrophobicContact CZ-CD2 4.06Å; F475-L527 HydrophobicContact CZ-CG 4.17Å; M520-L527 HydrophobicContact CB-CD1 3.53Å; M520-L527 HydrophobicContact CE-CD1 4.03Å; M520-L527 HydrophobicContact CG-CD1 3.86Å; M520-L527 WeakPolarHBondContact O-CD1 3.44Å; Q523-L527 PolarHBondContact O-N 2.9Å; R524-L527 PolarHBondContact O-N 2.8Å; L527-L530 PolarHBondContact O-N 3.49Å; L527-I531 HydrophobicContact CB-CD1 4.44Å; L527-I531 VanDerWaalsContact O-CB 3.27Å; L527-I531 WeakPolarHBondContact O-CB 3.26Å; L527-I531 VanDerWaalsContact O-CG1 3.26Å; L527-I531 WeakPolarHBondContact O-CG1 3.44Å; L527-I531 PolarHBondContact O-N 3.48Å; L527-I558 HydrophobicContact CB-CD1 3.94Å; L527-I558 HydrophobicContact CB-CG2 4.37Å; L527-I558 HydrophobicContact CD1-CD1 3.61Å; L527-I558 HydrophobicContact CG-CD1 4.45Å
528	Y	98.4	Very high	97.3	Very high	47 Å²	47	53.9 Å²	53.9	18%	0.184	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-50.5	173.2	178.6	-104.7	0	0	0	111.3	R524 L526 L530 I531 Y532 L559 E562 G563	R524-Y528 WeakPolarHBondContact O-CB 3.44Å; R524-Y528 PolarHBondContact O-N 3.31Å; L526-Y528 VanDerWaalsContact C-N 3.31Å; L526-Y528 PolarHBondContact O-N 3.05Å; Y528-L530 VanDerWaalsContact C-N 3.34Å; Y528-L530 PolarHBondContact O-N 3.49Å; Y528-I531 PolarHBondContact O-N 3.02Å; Y528-Y532 HydrophobicContact CE1-CD1 4.26Å; Y528-Y532 AromaticContact CE2-CD1 3.92Å; Y528-Y532 HydrophobicContact CE2-CD1 3.92Å; Y528-Y532 AromaticContact CE2-CG 3.88Å; Y528-Y532 HydrophobicContact CE2-CG 3.88Å; Y528-Y532 AromaticContact CZ-CD1 3.55Å; Y528-Y532 VanDerWaalsContact O-CB 3.29Å; Y528-Y532 WeakPolarHBondContact O-CB 3.3Å; Y528-Y532 PolarHBondContact O-N 2.65Å; Y528-Y532 WeakPolarHBondContact OH-CD1 3.5Å; Y528-Y532 WeakPolarHBondContact OH-CE1 3.11Å; Y528-L559 HydrophobicContact CD2-CD2 4.35Å; Y528-L559 HydrophobicContact CE2-CD2 4.36Å; Y528-E562 HydrophobicContact CD1-CB 3.91Å; Y528-E562 HydrophobicContact CD2-CB 3.93Å; Y528-E562 HydrophobicContact CG-CB 3.52Å; Y528-G563 VanDerWaalsContact OH-CA 3.31Å; Y528-G563 WeakPolarHBondContact OH-CA 3.46Å
529	D	98.2	Very high	97.4	Very high	51 Å²	51	51.3 Å²	51.3	27%	0.273	25%	0.249	S	C	.	.	I	π-helix	trans	-56.4	-46.9	175.4	176.5	60.5	0	0	0	111.7	A525 L526 A533 R534	A525-D529 PolarHBondContact O-N 3.31Å; A525-D529 VanDerWaalsContact O-N 3.12Å; L526-D529 PolarHBondContact O-N 3.23Å; D529-A533 CarbonylContact O-C 3.4Å; D529-A533 WeakPolarHBondContact O-CA 3.41Å; D529-A533 VanDerWaalsContact O-CB 3.3Å; D529-A533 WeakPolarHBondContact O-CB 3.29Å; D529-A533 PolarHBondContact O-N 2.94Å; D529-R534 PolarHBondContact O-N 2.93Å; D529-R534 IonicContact OD1-NE 3.91Å; D529-R534 IonicContact OD1-NH2 2.66Å; D529-R534 IonicContact OD2-CZ 2.9Å; D529-R534 IonicContact OD2-NE 3.71Å; D529-R534 PolarHBondContact OD2-NE 3.5Å; D529-R534 IonicContact OD2-NH2 3.26Å; D529-R534 PolarHBondContact OD2-NH2 3.34Å
530	L	97.9	Very high	97.4	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	24%	0.244	C	C	.	.	I	π-helix	trans	-62.4	-55.8	178.6	-68.8	174.2	0	0	0	112.1	P444 V446 W473 L526 L527 Y528 R534 D535 A536	P444-L530 HydrophobicContact CB-CD2 4.2Å; V446-L530 HydrophobicContact CG2-CB 4.31Å; V446-L530 HydrophobicContact CG2-CD1 4.05Å; W473-L530 HydrophobicContact CD2-CD1 3.59Å; W473-L530 HydrophobicContact CD2-CD2 4.41Å; W473-L530 HydrophobicContact CE3-CD1 3.85Å; W473-L530 HydrophobicContact CE3-CD2 4.07Å; W473-L530 HydrophobicContact CG-CD1 3.91Å; W473-L530 HydrophobicContact CH2-CD2 3.65Å; W473-L530 HydrophobicContact CZ2-CD1 4.3Å; W473-L530 HydrophobicContact CZ2-CD2 3.99Å; W473-L530 HydrophobicContact CZ3-CD1 4.31Å; W473-L530 HydrophobicContact CZ3-CD2 3.68Å; L526-L530 HydrophobicContact CD1-CD1 3.96Å; L526-L530 HydrophobicContact CD1-CG 4.1Å; L526-L530 HydrophobicContact CG-CD1 3.96Å; L526-L530 HydrophobicContact CG-CG 4.46Å; L526-L530 VanDerWaalsContact O-CG 3.29Å; L526-L530 WeakPolarHBondContact O-CG 3.44Å; L526-L530 PolarHBondContact O-N 2.7Å; L527-L530 PolarHBondContact O-N 3.49Å; Y528-L530 VanDerWaalsContact C-N 3.34Å; Y528-L530 PolarHBondContact O-N 3.49Å; L530-R534 CarbonylContact O-C 3.29Å; L530-D535 PolarHBondContact O-N 3.43Å; L530-A536 VanDerWaalsContact C-CB 3.48Å; L530-A536 HydrophobicContact CB-CB 3.94Å; L530-A536 WeakPolarHBondContact O-CB 3.39Å; L530-A536 PolarHBondContact O-N 2.96Å
531	I	97.6	Very high	97.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	24%	0.244	C	C	.	.	I	π-helix	trans	-72.4	-43.4	-170.5	-66.9	170.1	0	0	0	111.7	L527 Y528 V538 I555 Y573 M577 R582	L527-I531 HydrophobicContact CB-CD1 4.44Å; L527-I531 VanDerWaalsContact O-CB 3.27Å; L527-I531 WeakPolarHBondContact O-CB 3.26Å; L527-I531 VanDerWaalsContact O-CG1 3.26Å; L527-I531 WeakPolarHBondContact O-CG1 3.44Å; L527-I531 PolarHBondContact O-N 3.48Å; Y528-I531 PolarHBondContact O-N 3.02Å; I531-V538 HydrophobicContact CD1-CG2 4.16Å; I531-V538 HydrophobicContact CG1-CG2 3.97Å; I531-I555 HydrophobicContact CD1-CG1 4.19Å; I531-I555 HydrophobicContact CD1-CG2 4.23Å; I531-Y573 HydrophobicContact CG2-CE1 4.19Å; I531-Y573 PolarHBondContact O-OH 3.49Å; I531-M577 HydrophobicContact CG2-CE 3.76Å; I531-M577 HydrophobicContact CG2-SD 3.82Å; I531-R582 PolarHBondContact O-NH1 3.47Å; I531-R582 VanDerWaalsContact O-NH1 3.07Å; I531-R582 PolarHBondContact O-NH2 3.32Å; I531-R582 VanDerWaalsContact O-NH2 3.15Å
532	Y	96.6	Very high	96.9	Very high	101 Å²	101	46.6 Å²	46.6	40%	0.396	23%	0.229	S	C	.	.	I	π-helix	trans	-92.9	-50.9	-173.8	-176.5	-102.5	0	0	0	112.5	Y528 F565 Y573	Y528-Y532 HydrophobicContact CE1-CD1 4.26Å; Y528-Y532 AromaticContact CE2-CD1 3.92Å; Y528-Y532 HydrophobicContact CE2-CD1 3.92Å; Y528-Y532 AromaticContact CE2-CG 3.88Å; Y528-Y532 HydrophobicContact CE2-CG 3.88Å; Y528-Y532 AromaticContact CZ-CD1 3.55Å; Y528-Y532 VanDerWaalsContact O-CB 3.29Å; Y528-Y532 WeakPolarHBondContact O-CB 3.3Å; Y528-Y532 PolarHBondContact O-N 2.65Å; Y528-Y532 WeakPolarHBondContact OH-CD1 3.5Å; Y528-Y532 WeakPolarHBondContact OH-CE1 3.11Å; Y532-F565 HydrophobicContact CD2-CE2 4.39Å; Y532-F565 HydrophobicContact CD2-CZ 4.05Å; Y532-F565 HydrophobicContact CE2-CE2 4.07Å; Y532-F565 AromaticContact CE2-CZ 3.58Å; Y532-F565 HydrophobicContact CE2-CZ 3.58Å; Y532-Y573 AromaticContact CD2-CE2 3.95Å; Y532-Y573 HydrophobicContact CD2-CE2 3.95Å; Y532-Y573 AromaticContact CD2-CZ 3.81Å; Y532-Y573 HydrophobicContact CE2-CE2 4.17Å
533	A	94.4	Very high	96.4	Very high	64 Å²	64	47.2 Å²	47.2	53%	0.529	23%	0.227	S	C	.	.	I	π-helix	trans	-84.5	-27.6	-172.1	0	0	0	0	0	114.2	D529	D529-A533 CarbonylContact O-C 3.4Å; D529-A533 WeakPolarHBondContact O-CA 3.41Å; D529-A533 VanDerWaalsContact O-CB 3.3Å; D529-A533 WeakPolarHBondContact O-CB 3.29Å; D529-A533 PolarHBondContact O-N 2.94Å
534	R	95.7	Very high	95.4	Very high	141 Å²	141	45.6 Å²	45.6	53%	0.532	23%	0.225	S	C	.	.	S	Bend	trans	-114.4	11.8	-177	-55.3	-171.7	-163.7	-161.8	5.5	114.6	P444 D529 L530 A536	P444-R534 HydrophobicContact CG-CB 4.29Å; D529-R534 PolarHBondContact O-N 2.93Å; D529-R534 IonicContact OD1-NE 3.91Å; D529-R534 IonicContact OD1-NH2 2.66Å; D529-R534 IonicContact OD2-CZ 2.9Å; D529-R534 IonicContact OD2-NE 3.71Å; D529-R534 PolarHBondContact OD2-NE 3.5Å; D529-R534 IonicContact OD2-NH2 3.26Å; D529-R534 PolarHBondContact OD2-NH2 3.34Å; L530-R534 CarbonylContact O-C 3.29Å; R534-A536 PolarHBondContact O-N 3.13Å
535	D	94.5	Very high	94.5	Very high	99 Å²	99	45.8 Å²	45.8	53%	0.529	23%	0.229	S	C	.	.			trans	50.7	38.1	-179.5	-70.1	-56.1	0	0	0	115.4	L530 V537 R582	L530-D535 PolarHBondContact O-N 3.43Å; D535-V537 PolarHBondContact O-N 3.36Å; D535-R582 IonicContact OD1-CZ 2.91Å; D535-R582 IonicContact OD1-NH1 3.57Å; D535-R582 PolarHBondContact OD1-NH1 3.29Å
536	A	97.1	Very high	93.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.227	C	C	.	.			trans	-60.1	140.9	-178.2	0	0	0	0	0	112.1	P444 V446 L530 R534	P444-A536 HydrophobicContact CB-CB 3.96Å; P444-A536 VanDerWaalsContact O-CA 3.26Å; P444-A536 WeakPolarHBondContact O-CA 3.41Å; P444-A536 WeakPolarHBondContact O-CB 3.47Å; V446-A536 HydrophobicContact CG2-CB 4.33Å; L530-A536 VanDerWaalsContact C-CB 3.48Å; L530-A536 HydrophobicContact CB-CB 3.94Å; L530-A536 WeakPolarHBondContact O-CB 3.39Å; L530-A536 PolarHBondContact O-N 2.96Å; R534-A536 PolarHBondContact O-N 3.13Å
537	V	97.7	Very high	93.4	Very high	17 Å²	17	45 Å²	45	10%	0.103	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.2	175	-173.6	0	0	0	0	109.2	V443 P444 V445 V446 D535 F539 R582	V443-V537 HydrophobicContact CG2-CG2 3.84Å; P444-V537 PolarHBondContact O-N 2.95Å; V445-V537 CarbonylContact C-O 3.55Å; V445-V537 VanDerWaalsContact CA-O 3.3Å; V445-V537 WeakPolarHBondContact CA-O 3.34Å; V445-V537 HydrophobicContact CG1-CB 4.45Å; V446-V537 PolarHBondContact N-O 3.3Å; D535-V537 PolarHBondContact O-N 3.36Å; V537-F539 HydrophobicContact CB-CE2 3.91Å; V537-F539 HydrophobicContact CB-CZ 4.46Å; V537-F539 HydrophobicContact CG1-CD2 4.07Å; V537-F539 HydrophobicContact CG1-CE1 4.38Å; V537-F539 HydrophobicContact CG1-CE2 3.3Å; V537-F539 HydrophobicContact CG1-CZ 3.47Å; V537-F539 VanDerWaalsContact CG1-CZ 3.47Å; V537-R582 CarbonylContact C-O 3.6Å; V537-R582 WeakPolarHBondContact CA-O 3.41Å; V537-R582 WeakPolarHBondContact CG1-O 3.34Å
538	V	98.1	Very high	93	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125	-177.3	-173.3	0	0	0	0	110.3	V446 I531 I540 I555 M577 R582 L583 Q584	V446-V538 HydrophobicContact CB-CG2 4.26Å; V446-V538 CarbonylContact O-C 3.59Å; V446-V538 VanDerWaalsContact O-CA 3.28Å; V446-V538 WeakPolarHBondContact O-CA 3.47Å; I531-V538 HydrophobicContact CD1-CG2 4.16Å; I531-V538 HydrophobicContact CG1-CG2 3.97Å; V538-I540 HydrophobicContact CG1-CG1 4.2Å; V538-I555 HydrophobicContact CG1-CD1 4.12Å; V538-M577 HydrophobicContact CB-CE 4.45Å; V538-M577 HydrophobicContact CG2-CE 3.77Å; V538-R582 PolarHBondContact N-O 3.23Å; V538-L583 HydrophobicContact CB-CD1 3.92Å; V538-L583 HydrophobicContact CG1-CD1 3.87Å; V538-L583 WeakPolarHBondContact O-CA 3.42Å; V538-Q584 PolarHBondContact O-N 3.45Å
539	F	97.9	Very high	92.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.3	176.5	-65.6	-87.3	0	0	0	110.2	F436 F438 V445 V446 L447 V448 L457 F460 V537 Q584	F436-F539 HydrophobicContact CB-CD1 4.36Å; F436-F539 HydrophobicContact CB-CE1 4.36Å; F436-F539 AromaticContact CD1-CD1 3.66Å; F436-F539 HydrophobicContact CD1-CD1 3.66Å; F436-F539 HydrophobicContact CD1-CE1 4.26Å; F436-F539 HydrophobicContact CD2-CD1 4.25Å; F436-F539 HydrophobicContact CE1-CB 4.3Å; F436-F539 AromaticContact CE1-CD1 3.85Å; F436-F539 HydrophobicContact CE1-CD1 3.85Å; F436-F539 HydrophobicContact CE2-CB 4.37Å; F436-F539 HydrophobicContact CE2-CD1 4.43Å; F436-F539 AromaticContact CG-CD1 3.86Å; F436-F539 HydrophobicContact CG-CD1 3.86Å; F436-F539 HydrophobicContact CG-CE1 4.34Å; F436-F539 HydrophobicContact CZ-CB 4.02Å; F436-F539 HydrophobicContact CZ-CD1 4.23Å; F438-F539 AromaticContact CD1-CD1 3.91Å; F438-F539 HydrophobicContact CD1-CD1 3.91Å; F438-F539 HydrophobicContact CD1-CD2 4.21Å; F438-F539 AromaticContact CD1-CE1 3.49Å; F438-F539 HydrophobicContact CD1-CE1 3.49Å; F438-F539 VanDerWaalsContact CD1-CE1 3.49Å; F438-F539 AromaticContact CD1-CE2 3.81Å; F438-F539 HydrophobicContact CD1-CE2 3.81Å; F438-F539 HydrophobicContact CD1-CG 4.26Å; F438-F539 AromaticContact CD1-CZ 3.45Å; F438-F539 HydrophobicContact CD1-CZ 3.45Å; F438-F539 VanDerWaalsContact CD1-CZ 3.45Å; F438-F539 HydrophobicContact CE1-CB 4.49Å; F438-F539 AromaticContact CE1-CD1 3.55Å; F438-F539 HydrophobicContact CE1-CD1 3.55Å; F438-F539 HydrophobicContact CE1-CD2 4.06Å; F438-F539 AromaticContact CE1-CE1 3.65Å; F438-F539 HydrophobicContact CE1-CE1 3.65Å; F438-F539 HydrophobicContact CE1-CE2 4.13Å; F438-F539 AromaticContact CE1-CG 3.77Å; F438-F539 HydrophobicContact CE1-CG 3.77Å; F438-F539 AromaticContact CE1-CZ 3.96Å; F438-F539 HydrophobicContact CE1-CZ 3.96Å; F438-F539 HydrophobicContact CG-CE1 4.43Å; F438-F539 HydrophobicContact CG-CZ 4.43Å; F438-F539 HydrophobicContact CZ-CD1 4.48Å; V445-F539 HydrophobicContact CG1-CE2 4.36Å; V446-F539 PolarHBondContact O-N 2.89Å; L447-F539 HydrophobicContact CD2-CB 3.91Å; L447-F539 HydrophobicContact CD2-CD2 3.65Å; L447-F539 HydrophobicContact CD2-CG 4.12Å; V448-F539 PolarHBondContact N-O 2.97Å; L457-F539 HydrophobicContact CD2-CB 4.08Å; F460-F539 HydrophobicContact CE1-CE2 4.42Å; V537-F539 HydrophobicContact CB-CE2 3.91Å; V537-F539 HydrophobicContact CB-CZ 4.46Å; V537-F539 HydrophobicContact CG1-CD2 4.07Å; V537-F539 HydrophobicContact CG1-CE1 4.38Å; V537-F539 HydrophobicContact CG1-CE2 3.3Å; V537-F539 HydrophobicContact CG1-CZ 3.47Å; V537-F539 VanDerWaalsContact CG1-CZ 3.47Å; F539-Q584 WeakPolarHBondContact CA-O 3.47Å; F539-Q584 HydrophobicContact CD1-CB 3.94Å; F539-Q584 HydrophobicContact CE1-CB 4.07Å; F539-Q584 VanDerWaalsContact CE1-CD 3.49Å; F539-Q584 HydrophobicContact CE1-CG 4.16Å
540	I	97.2	Very high	92.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117	-179.3	-53.8	173.5	0	0	0	109.6	F436 V448 V538 M547 P548 V551 L583 Q584 L585 E586	F436-I540 WeakPolarHBondContact CZ-O 3.46Å; V448-I540 HydrophobicContact CB-CG1 4.35Å; V448-I540 CarbonylContact O-C 3.55Å; V448-I540 WeakPolarHBondContact O-CA 3.23Å; V538-I540 HydrophobicContact CG1-CG1 4.2Å; I540-M547 HydrophobicContact CG2-CE 3.79Å; I540-M547 HydrophobicContact CG2-SD 3.53Å; I540-M547 VanDerWaalsContact CG2-SD 3.53Å; I540-P548 HydrophobicContact CG2-CB 4.4Å; I540-V551 HydrophobicContact CD1-CB 4Å; I540-V551 HydrophobicContact CD1-CG1 3.44Å; I540-V551 VanDerWaalsContact CD1-CG1 3.44Å; I540-V551 HydrophobicContact CG1-CG1 3.94Å; I540-L583 HydrophobicContact CD1-CD1 3.74Å; I540-L583 HydrophobicContact CG1-CD1 4.24Å; I540-Q584 PolarHBondContact N-O 3.04Å; I540-L585 HydrophobicContact CB-CG 4.26Å; I540-L585 HydrophobicContact CD1-CD1 4.44Å; I540-L585 HydrophobicContact CD1-CG 4.42Å; I540-L585 WeakPolarHBondContact O-CA 3.5Å; I540-E586 PolarHBondContact O-N 3.33Å
541	A	95.5	Very high	92.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129	-176.7	0	0	0	0	0	113	F436 V448 G449 A450 G453 P456 L457 M547 E586	F436-A541 HydrophobicContact CE2-CB 3.9Å; F436-A541 HydrophobicContact CZ-CB 3.96Å; V448-A541 PolarHBondContact O-N 3.36Å; G449-A541 VanDerWaalsContact CA-O 3.31Å; G449-A541 WeakPolarHBondContact CA-O 3.46Å; A450-A541 PolarHBondContact N-O 2.88Å; A450-A541 VanDerWaalsContact N-O 3.15Å; G453-A541 WeakPolarHBondContact O-CB 3.43Å; P456-A541 HydrophobicContact CG-CB 4.09Å; L457-A541 HydrophobicContact CD1-CB 4.13Å; L457-A541 HydrophobicContact CD2-CB 4.29Å; L457-A541 HydrophobicContact CG-CB 4.1Å; A541-M547 WeakPolarHBondContact O-CE 3.47Å; A541-E586 WeakPolarHBondContact CA-O 3.33Å
542	G	91.7	Very high	92.3	Very high	5 Å²	5	53.6 Å²	53.6	5%	0.052	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.3	-150.7	176.4	0	0	0	0	0	114.3	E586 V587 W588	G542-E586 PolarHBondContact N-O 2.99Å; G542-V587 WeakPolarHBondContact O-CA 3.34Å; G542-W588 PolarHBondContact O-N 3.23Å
543	R	85.9	Confident	92.2	Very high	162 Å²	162	53.3 Å²	53.3	61%	0.611	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.6	-178.7	-169.9	-178.9	-176.2	-172.1	0.9	111	K545 P548 W588	R543-K545 HydrophobicContact CG-CB 4.42Å; R543-K545 PolarHBondContact O-N 3Å; R543-P548 WeakPolarHBondContact O-CD 3.4Å; R543-W588 CarbonylContact C-O 3.6Å; R543-W588 WeakPolarHBondContact CA-O 3.43Å
544	A	77.7	Confident	92.4	Very high	33 Å²	33	50.3 Å²	50.3	27%	0.273	24%	0.235	S	C	.	.	S	Bend	trans	-69.8	-0.2	-175.8	0	0	0	0	0	116.4	V587 W588	A544-V587 HydrophobicContact CB-CB 3.81Å; A544-V587 HydrophobicContact CB-CG2 3.83Å; A544-W588 WeakPolarHBondContact CB-O 3.45Å; A544-W588 PolarHBondContact N-O 3.35Å
545	K	77.6	Confident	92.5	Very high	122 Å²	122	43.7 Å²	43.7	53%	0.53	21%	0.21	S	C	.	.	S	Bend	trans	-78	-102.9	-175.4	-161.9	-171.3	172.3	-174.5	0	111.4	R543	R543-K545 HydrophobicContact CG-CB 4.42Å; R543-K545 PolarHBondContact O-N 3Å
546	D	84.7	Confident	92.6	Very high	78 Å²	78	39.7 Å²	39.7	42%	0.417	19%	0.188	S	C	.	.	S	Bend	trans	-89.7	-28.1	-169	-47.6	-57	0	0	0	112.8	Q549 Q550	D546-Q549 PolarHBondContact O-N 3.25Å; D546-Q550 WeakPolarHBondContact O-CB 3.47Å; D546-Q550 WeakPolarHBondContact O-CG 3.48Å; D546-Q550 PolarHBondContact O-N 3.37Å
547	M	89.2	Confident	92.7	Very high	22 Å²	22	42.2 Å²	42.2	11%	0.108	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-48.2	-168.9	-178.7	-81	-68.3	0	0	114	V516 I540 A541 Q549 Q550 V551	V516-M547 HydrophobicContact CG2-CG 4.31Å; I540-M547 HydrophobicContact CG2-CE 3.79Å; I540-M547 HydrophobicContact CG2-SD 3.53Å; I540-M547 VanDerWaalsContact CG2-SD 3.53Å; A541-M547 WeakPolarHBondContact O-CE 3.47Å; M547-Q549 PolarHBondContact O-N 3.31Å; M547-Q550 PolarHBondContact O-N 2.89Å; M547-V551 HydrophobicContact CG-CG2 4.35Å; M547-V551 VanDerWaalsContact O-CG2 3.29Å; M547-V551 WeakPolarHBondContact O-CG2 3.2Å; M547-V551 PolarHBondContact O-N 3.42Å; M547-V551 HydrophobicContact SD-CG2 3.78Å
548	P	89.2	Confident	92.7	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-43.8	-177.2	-21.1	33.2	0	0	0	112.6	I540 R543 Q550 V551 E552 L585 V587	I540-P548 HydrophobicContact CG2-CB 4.4Å; R543-P548 WeakPolarHBondContact O-CD 3.4Å; P548-Q550 VanDerWaalsContact C-N 3.34Å; P548-Q550 PolarHBondContact O-N 3.08Å; P548-V551 PolarHBondContact O-N 2.86Å; P548-E552 PolarHBondContact O-N 3.35Å; P548-L585 HydrophobicContact CB-CD2 3.73Å; P548-V587 HydrophobicContact CB-CG1 4.23Å; P548-V587 HydrophobicContact CG-CB 4.36Å; P548-V587 HydrophobicContact CG-CG1 3.46Å; P548-V587 VanDerWaalsContact CG-CG1 3.46Å
549	Q	90.9	Very high	92.7	Very high	142 Å²	142	41.6 Å²	41.6	66%	0.664	20%	0.198	S	C	*	.	H	α-helix	trans	-63	-40.4	176.6	-67.1	179.1	-10.8	0	0	111.8	D546 M547 V551 E552 E553	D546-Q549 PolarHBondContact O-N 3.25Å; M547-Q549 PolarHBondContact O-N 3.31Å; Q549-V551 VanDerWaalsContact C-N 3.33Å; Q549-V551 PolarHBondContact O-N 3.28Å; Q549-E552 PolarHBondContact O-N 2.91Å; Q549-E553 WeakPolarHBondContact O-CB 3.46Å; Q549-E553 PolarHBondContact O-N 2.68Å
550	Q	94.8	Very high	92.7	Very high	77 Å²	77	45 Å²	45	36%	0.36	21%	0.213	S	C	.	.	H	α-helix	trans	-66.5	-34.3	176.9	-73.1	171.3	-5.9	0	0	112.7	Q517 D546 M547 P548 A554	Q517-Q550 HydrophobicContact CG-CB 4.37Å; D546-Q550 WeakPolarHBondContact O-CB 3.47Å; D546-Q550 WeakPolarHBondContact O-CG 3.48Å; D546-Q550 PolarHBondContact O-N 3.37Å; M547-Q550 PolarHBondContact O-N 2.89Å; P548-Q550 VanDerWaalsContact C-N 3.34Å; P548-Q550 PolarHBondContact O-N 3.08Å; Q550-A554 WeakPolarHBondContact O-CB 3.48Å; Q550-A554 PolarHBondContact O-N 2.76Å
551	V	96.2	Very high	92.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.6	-43.7	175.4	173	0	0	0	0	110.7	V448 V516 M520 I540 M547 P548 Q549 E553 A554 I555	V448-V551 HydrophobicContact CB-CG1 4.45Å; V448-V551 HydrophobicContact CG1-CG1 4.22Å; V448-V551 HydrophobicContact CG1-CG2 3.75Å; V448-V551 HydrophobicContact CG2-CG1 4.19Å; V516-V551 HydrophobicContact CG2-CG2 3.95Å; M520-V551 HydrophobicContact CE-CG1 3.93Å; M520-V551 HydrophobicContact SD-CG1 3.93Å; M520-V551 HydrophobicContact SD-CG2 4.39Å; I540-V551 HydrophobicContact CD1-CB 4Å; I540-V551 HydrophobicContact CD1-CG1 3.44Å; I540-V551 VanDerWaalsContact CD1-CG1 3.44Å; I540-V551 HydrophobicContact CG1-CG1 3.94Å; M547-V551 HydrophobicContact CG-CG2 4.35Å; M547-V551 VanDerWaalsContact O-CG2 3.29Å; M547-V551 WeakPolarHBondContact O-CG2 3.2Å; M547-V551 PolarHBondContact O-N 3.42Å; M547-V551 HydrophobicContact SD-CG2 3.78Å; P548-V551 PolarHBondContact O-N 2.86Å; Q549-V551 VanDerWaalsContact C-N 3.33Å; Q549-V551 PolarHBondContact O-N 3.28Å; V551-E553 VanDerWaalsContact C-N 3.34Å; V551-E553 PolarHBondContact O-N 3Å; V551-A554 WeakPolarHBondContact O-CB 3.35Å; V551-A554 PolarHBondContact O-N 3.08Å; V551-I555 HydrophobicContact CG1-CD1 4.24Å; V551-I555 WeakPolarHBondContact O-CG1 3.44Å; V551-I555 PolarHBondContact O-N 3.24Å
552	E	95.1	Very high	92.8	Very high	55 Å²	55	51.2 Å²	51.2	26%	0.257	25%	0.246	S	C	.	.	H	α-helix	trans	-59.6	-44.2	173.2	-76.7	-176.9	-156.2	0	0	111.9	P548 Q549 A554 I555 K556 L583	P548-E552 PolarHBondContact O-N 3.35Å; Q549-E552 PolarHBondContact O-N 2.91Å; E552-A554 VanDerWaalsContact C-N 3.29Å; E552-A554 PolarHBondContact O-N 3.19Å; E552-I555 PolarHBondContact O-N 3.4Å; E552-K556 WeakPolarHBondContact O-CB 3.37Å; E552-K556 PolarHBondContact O-N 3.5Å; E552-L583 HydrophobicContact CG-CD2 4.27Å
553	E	96.1	Very high	92.9	Very high	94 Å²	94	52.1 Å²	52.1	44%	0.439	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-35.1	176.1	-171.7	58	-148	0	0	111.7	Q549 V551 K556 D557	Q549-E553 WeakPolarHBondContact O-CB 3.46Å; Q549-E553 PolarHBondContact O-N 2.68Å; V551-E553 VanDerWaalsContact C-N 3.34Å; V551-E553 PolarHBondContact O-N 3Å; E553-K556 WeakPolarHBondContact O-CB 3.19Å; E553-K556 PolarHBondContact O-N 2.89Å; E553-D557 WeakPolarHBondContact O-CB 3.37Å; E553-D557 PolarHBondContact O-N 3.05Å
554	A	97.6	Very high	93.4	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-40.1	173.2	0	0	0	0	0	112.3	Q517 K521 Q550 V551 E552 K556 D557 I558	Q517-A554 HydrophobicContact CB-CB 3.85Å; K521-A554 HydrophobicContact CG-CB 4.41Å; Q550-A554 WeakPolarHBondContact O-CB 3.48Å; Q550-A554 PolarHBondContact O-N 2.76Å; V551-A554 WeakPolarHBondContact O-CB 3.35Å; V551-A554 PolarHBondContact O-N 3.08Å; E552-A554 VanDerWaalsContact C-N 3.29Å; E552-A554 PolarHBondContact O-N 3.19Å; A554-K556 VanDerWaalsContact C-N 3.32Å; A554-D557 PolarHBondContact O-N 3.23Å; A554-I558 WeakPolarHBondContact O-CD1 3.22Å; A554-I558 WeakPolarHBondContact O-CG1 3.45Å; A554-I558 PolarHBondContact O-N 3.01Å
555	I	97.7	Very high	94.4	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-42.6	173.6	-66.5	166.6	0	0	0	110.2	M520 I531 V538 V551 E552 D557 I558 L559 I574	M520-I555 HydrophobicContact CE-CD1 4.47Å; M520-I555 HydrophobicContact CE-CG1 3.93Å; I531-I555 HydrophobicContact CD1-CG1 4.19Å; I531-I555 HydrophobicContact CD1-CG2 4.23Å; V538-I555 HydrophobicContact CG1-CD1 4.12Å; V551-I555 HydrophobicContact CG1-CD1 4.24Å; V551-I555 WeakPolarHBondContact O-CG1 3.44Å; V551-I555 PolarHBondContact O-N 3.24Å; E552-I555 PolarHBondContact O-N 3.4Å; I555-D557 PolarHBondContact O-N 2.85Å; I555-I558 WeakPolarHBondContact O-CB 3.38Å; I555-I558 PolarHBondContact O-N 3.34Å; I555-L559 HydrophobicContact CG2-CD1 4.18Å; I555-L559 WeakPolarHBondContact O-CG 3.46Å; I555-L559 PolarHBondContact O-N 3.37Å; I555-I574 HydrophobicContact CG2-CD1 4.31Å; I555-I574 HydrophobicContact CG2-CG1 4.29Å
556	K	97.3	Very high	95.3	Very high	14 Å²	14	45.4 Å²	45.4	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-46.6	176.1	-166.1	-177.3	178.8	-176.1	0	111.8	E552 E553 A554 I558 L559 K560 D567 A570 I574	E552-K556 WeakPolarHBondContact O-CB 3.37Å; E552-K556 PolarHBondContact O-N 3.5Å; E553-K556 WeakPolarHBondContact O-CB 3.19Å; E553-K556 PolarHBondContact O-N 2.89Å; A554-K556 VanDerWaalsContact C-N 3.32Å; K556-I558 VanDerWaalsContact C-N 3.34Å; K556-I558 PolarHBondContact O-N 3.07Å; K556-L559 PolarHBondContact O-N 2.94Å; K556-K560 HydrophobicContact CG-CD 4.21Å; K556-K560 VanDerWaalsContact O-CG 3.26Å; K556-K560 WeakPolarHBondContact O-CG 3.39Å; K556-K560 PolarHBondContact O-N 3.43Å; K556-D567 WeakPolarHBondContact CE-O 3.47Å; K556-D567 WeakPolarHBondContact CE-OD1 3.45Å; K556-D567 WeakPolarHBondContact CE-OD2 3.36Å; K556-D567 IonicContact NZ-OD1 2.73Å; K556-D567 PolarHBondContact NZ-OD1 2.83Å; K556-D567 VanDerWaalsContact NZ-OD1 3.07Å; K556-D567 IonicContact NZ-OD2 3.77Å; K556-D567 PolarHBondContact NZ-OD2 3.38Å; K556-A570 HydrophobicContact CG-CB 3.65Å; K556-I574 HydrophobicContact CB-CD1 3.77Å; K556-I574 HydrophobicContact CG-CD1 4.3Å
557	D	97.7	Very high	95.8	Very high	53 Å²	53	45 Å²	45	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-61	-40	176.1	-174.4	47.1	0	0	0	112.5	K521 E553 A554 I555 K560 T561	K521-D557 WeakPolarHBondContact CE-OD2 3.01Å; K521-D557 IonicContact NZ-OD2 3.64Å; E553-D557 WeakPolarHBondContact O-CB 3.37Å; E553-D557 PolarHBondContact O-N 3.05Å; A554-D557 PolarHBondContact O-N 3.23Å; I555-D557 PolarHBondContact O-N 2.85Å; D557-K560 PolarHBondContact O-N 3.34Å; D557-T561 VanDerWaalsContact O-CB 3.31Å; D557-T561 WeakPolarHBondContact O-CB 3.33Å; D557-T561 PolarHBondContact O-N 2.94Å; D557-T561 PolarHBondContact O-OG1 3.44Å
558	I	98.1	Very high	96.2	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-47.2	175.1	-69.1	162	0	0	0	111	R524 L527 A554 I555 K556 K560 T561 E562	R524-I558 HydrophobicContact CB-CG1 3.75Å; R524-I558 HydrophobicContact CB-CG2 4.34Å; R524-I558 WeakPolarHBondContact O-CG2 3.38Å; L527-I558 HydrophobicContact CB-CD1 3.94Å; L527-I558 HydrophobicContact CB-CG2 4.37Å; L527-I558 HydrophobicContact CD1-CD1 3.61Å; L527-I558 HydrophobicContact CG-CD1 4.45Å; A554-I558 WeakPolarHBondContact O-CD1 3.22Å; A554-I558 WeakPolarHBondContact O-CG1 3.45Å; A554-I558 PolarHBondContact O-N 3.01Å; I555-I558 WeakPolarHBondContact O-CB 3.38Å; I555-I558 PolarHBondContact O-N 3.34Å; K556-I558 VanDerWaalsContact C-N 3.34Å; K556-I558 PolarHBondContact O-N 3.07Å; I558-K560 VanDerWaalsContact C-N 3.31Å; I558-K560 PolarHBondContact O-N 3.44Å; I558-T561 PolarHBondContact O-N 3.27Å; I558-E562 WeakPolarHBondContact O-CB 3.29Å; I558-E562 PolarHBondContact O-N 3.35Å
559	L	97.9	Very high	96.6	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-39.4	177.7	-69.3	167.6	0	0	0	112.1	Y528 I555 K556 G563 G564 F565 A570 Y573 I574	Y528-L559 HydrophobicContact CD2-CD2 4.35Å; Y528-L559 HydrophobicContact CE2-CD2 4.36Å; I555-L559 HydrophobicContact CG2-CD1 4.18Å; I555-L559 WeakPolarHBondContact O-CG 3.46Å; I555-L559 PolarHBondContact O-N 3.37Å; K556-L559 PolarHBondContact O-N 2.94Å; L559-G563 CarbonylContact O-C 3.55Å; L559-G563 WeakPolarHBondContact O-CA 3.18Å; L559-G563 PolarHBondContact O-N 3.13Å; L559-G564 PolarHBondContact O-N 2.65Å; L559-F565 HydrophobicContact CB-CB 4.42Å; L559-F565 HydrophobicContact CB-CD2 4.41Å; L559-F565 HydrophobicContact CB-CG 4.28Å; L559-F565 WeakPolarHBondContact O-CD2 3.45Å; L559-F565 PolarHBondContact O-N 3.4Å; L559-A570 HydrophobicContact CB-CB 4.2Å; L559-A570 HydrophobicContact CD1-CB 4.33Å; L559-Y573 HydrophobicContact CD1-CD1 3.66Å; L559-Y573 HydrophobicContact CD1-CE1 4.35Å; L559-Y573 HydrophobicContact CD1-CG 4.43Å; L559-Y573 HydrophobicContact CD2-CD1 4.12Å; L559-Y573 HydrophobicContact CD2-CE1 4.13Å; L559-I574 HydrophobicContact CD1-CG1 4.24Å
560	K	97.8	Very high	96.9	Very high	72 Å²	72	47.2 Å²	47.2	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-68	-47.9	177.6	-68.3	166.1	68.2	171.2	0	111.5	K556 D557 I558 G564 F565 D567 A570	K556-K560 HydrophobicContact CG-CD 4.21Å; K556-K560 VanDerWaalsContact O-CG 3.26Å; K556-K560 WeakPolarHBondContact O-CG 3.39Å; K556-K560 PolarHBondContact O-N 3.43Å; D557-K560 PolarHBondContact O-N 3.34Å; I558-K560 VanDerWaalsContact C-N 3.31Å; I558-K560 PolarHBondContact O-N 3.44Å; K560-G564 WeakPolarHBondContact O-CA 3.48Å; K560-G564 PolarHBondContact O-N 3.49Å; K560-G564 VanDerWaalsContact O-N 3.17Å; K560-F565 WeakPolarHBondContact CA-O 3.11Å; K560-F565 WeakPolarHBondContact CG-O 3.41Å; K560-D567 IonicContact NZ-OD1 3.47Å; K560-D567 PolarHBondContact NZ-OD1 2.54Å; K560-A570 HydrophobicContact CG-CB 4.13Å
561	T	97.2	Very high	96.9	Very high	63 Å²	63	46.5 Å²	46.5	39%	0.387	26%	0.255	S	S	.	.	H	α-helix	trans	-75.5	-44.7	-172.4	-57.6	0	0	0	0	112.9	D557 I558	D557-T561 VanDerWaalsContact O-CB 3.31Å; D557-T561 WeakPolarHBondContact O-CB 3.33Å; D557-T561 PolarHBondContact O-N 2.94Å; D557-T561 PolarHBondContact O-OG1 3.44Å; I558-T561 PolarHBondContact O-N 3.27Å
562	E	97.6	Very high	96.9	Very high	67 Å²	67	52.3 Å²	52.3	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-95.1	-28.1	-175.3	-60.5	-64.6	144	0	0	112.3	R524 Y528 I558	R524-E562 HydrophobicContact CB-CG 4.1Å; R524-E562 VanDerWaalsContact CD-OE1 3.22Å; R524-E562 WeakPolarHBondContact CD-OE1 3.42Å; R524-E562 HydrophobicContact CG-CG 4.03Å; R524-E562 VanDerWaalsContact CG-OE1 3.3Å; R524-E562 WeakPolarHBondContact CG-OE1 3.32Å; R524-E562 IonicContact CZ-OE1 3.62Å; R524-E562 IonicContact NE-OE1 2.66Å; R524-E562 PolarHBondContact NE-OE1 3Å; R524-E562 IonicContact NH2-OE1 3.27Å; Y528-E562 HydrophobicContact CD1-CB 3.91Å; Y528-E562 HydrophobicContact CD2-CB 3.93Å; Y528-E562 HydrophobicContact CG-CB 3.52Å; I558-E562 WeakPolarHBondContact O-CB 3.29Å; I558-E562 PolarHBondContact O-N 3.35Å
563	G	95.5	Very high	97.1	Very high	25 Å²	25	51.1 Å²	51.1	26%	0.258	27%	0.273	S	S	.	.	H	α-helix	trans	-102.9	-7.8	-178.4	0	0	0	0	0	116	Y528 L559 F565	Y528-G563 VanDerWaalsContact OH-CA 3.31Å; Y528-G563 WeakPolarHBondContact OH-CA 3.46Å; L559-G563 CarbonylContact O-C 3.55Å; L559-G563 WeakPolarHBondContact O-CA 3.18Å; L559-G563 PolarHBondContact O-N 3.13Å; G563-F565 VanDerWaalsContact C-N 3.25Å; G563-F565 PolarHBondContact O-N 2.87Å
564	G	95.8	Very high	97.1	Very high	66 Å²	66	46.9 Å²	46.9	68%	0.68	25%	0.254	S	S	*	.			trans	70.8	15.2	-178.7	0	0	0	0	0	115.1	L559 K560	L559-G564 PolarHBondContact O-N 2.65Å; K560-G564 WeakPolarHBondContact O-CA 3.48Å; K560-G564 PolarHBondContact O-N 3.49Å; K560-G564 VanDerWaalsContact O-N 3.17Å
565	F	97.4	Very high	96.9	Very high	35 Å²	35	53.9 Å²	53.9	15%	0.154	28%	0.28	C	S	.	.			trans	-64.6	144.6	177.5	-75.7	-120.6	0	0	0	110.4	Y532 L559 K560 G563 E569 A570 Y573	Y532-F565 HydrophobicContact CD2-CE2 4.39Å; Y532-F565 HydrophobicContact CD2-CZ 4.05Å; Y532-F565 HydrophobicContact CE2-CE2 4.07Å; Y532-F565 AromaticContact CE2-CZ 3.58Å; Y532-F565 HydrophobicContact CE2-CZ 3.58Å; L559-F565 HydrophobicContact CB-CB 4.42Å; L559-F565 HydrophobicContact CB-CD2 4.41Å; L559-F565 HydrophobicContact CB-CG 4.28Å; L559-F565 WeakPolarHBondContact O-CD2 3.45Å; L559-F565 PolarHBondContact O-N 3.4Å; K560-F565 WeakPolarHBondContact CA-O 3.11Å; K560-F565 WeakPolarHBondContact CG-O 3.41Å; G563-F565 VanDerWaalsContact C-N 3.25Å; G563-F565 PolarHBondContact O-N 2.87Å; F565-E569 HydrophobicContact CB-CB 4.25Å; F565-E569 HydrophobicContact CD1-CB 3.67Å; F565-E569 HydrophobicContact CE1-CB 4.47Å; F565-E569 HydrophobicContact CG-CB 4.35Å; F565-A570 HydrophobicContact CB-CB 4.12Å; F565-Y573 HydrophobicContact CE1-CG 4.44Å
566	N	97.4	Very high	96.8	Very high	75 Å²	75	58.3 Å²	58.3	40%	0.401	30%	0.301	S	S	.	.			trans	-80.6	173.7	161.1	71.9	53.3	0	0	0	111.5	N568 E569 A570	N566-N568 VanDerWaalsContact C-N 3.35Å; N566-N568 PolarHBondContact O-N 2.87Å; N566-N568 WeakPolarHBondContact OD1-CB 3.18Å; N566-N568 PolarHBondContact OD1-N 3.08Å; N566-E569 VanDerWaalsContact CG-CD 3.5Å; N566-E569 VanDerWaalsContact CG-OE2 3.3Å; N566-E569 PolarHBondContact N-OE2 3.19Å; N566-E569 PolarHBondContact ND2-OE1 3.11Å; N566-E569 PolarHBondContact ND2-OE2 3.15Å; N566-E569 VanDerWaalsContact ND2-OE2 3.09Å; N566-E569 PolarHBondContact O-N 2.75Å; N566-E569 WeakPolarHBondContact OD1-CG 3.12Å; N566-E569 PolarHBondContact OD1-N 3.22Å; N566-A570 WeakPolarHBondContact O-CB 3.48Å; N566-A570 PolarHBondContact O-N 2.8Å
567	D	96.3	Very high	96.8	Very high	68 Å²	68	57.8 Å²	57.8	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-40.7	-174.4	-155.7	75.2	0	0	0	113.6	K556 K560 Q571	K556-D567 WeakPolarHBondContact CE-O 3.47Å; K556-D567 WeakPolarHBondContact CE-OD1 3.45Å; K556-D567 WeakPolarHBondContact CE-OD2 3.36Å; K556-D567 IonicContact NZ-OD1 2.73Å; K556-D567 PolarHBondContact NZ-OD1 2.83Å; K556-D567 VanDerWaalsContact NZ-OD1 3.07Å; K556-D567 IonicContact NZ-OD2 3.77Å; K556-D567 PolarHBondContact NZ-OD2 3.38Å; K560-D567 IonicContact NZ-OD1 3.47Å; K560-D567 PolarHBondContact NZ-OD1 2.54Å; D567-Q571 WeakPolarHBondContact O-CB 3.49Å; D567-Q571 PolarHBondContact O-N 3.39Å
568	N	96.8	Very high	96.5	Very high	124 Å²	124	58.8 Å²	58.8	66%	0.663	30%	0.304	S	S	*	.	H	α-helix	trans	-71.3	-40.2	-179.9	-73.1	-31.8	0	0	0	111.7	N566 K572	N566-N568 VanDerWaalsContact C-N 3.35Å; N566-N568 PolarHBondContact O-N 2.87Å; N566-N568 WeakPolarHBondContact OD1-CB 3.18Å; N566-N568 PolarHBondContact OD1-N 3.08Å; N568-K572 VanDerWaalsContact O-CB 3.25Å; N568-K572 WeakPolarHBondContact O-CB 3.42Å; N568-K572 PolarHBondContact O-N 3.35Å
569	E	97.8	Very high	96.2	Very high	95 Å²	95	62.7 Å²	62.7	44%	0.444	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-47	176.4	-71.1	167	167.1	0	0	110.9	F565 N566 Q571 K572 Y573	F565-E569 HydrophobicContact CB-CB 4.25Å; F565-E569 HydrophobicContact CD1-CB 3.67Å; F565-E569 HydrophobicContact CE1-CB 4.47Å; F565-E569 HydrophobicContact CG-CB 4.35Å; N566-E569 VanDerWaalsContact CG-CD 3.5Å; N566-E569 VanDerWaalsContact CG-OE2 3.3Å; N566-E569 PolarHBondContact N-OE2 3.19Å; N566-E569 PolarHBondContact ND2-OE1 3.11Å; N566-E569 PolarHBondContact ND2-OE2 3.15Å; N566-E569 VanDerWaalsContact ND2-OE2 3.09Å; N566-E569 PolarHBondContact O-N 2.75Å; N566-E569 WeakPolarHBondContact OD1-CG 3.12Å; N566-E569 PolarHBondContact OD1-N 3.22Å; E569-Q571 PolarHBondContact O-N 2.94Å; E569-K572 PolarHBondContact O-N 3.01Å; E569-Y573 WeakPolarHBondContact O-CB 3.4Å; E569-Y573 PolarHBondContact O-N 3.05Å
570	A	97.1	Very high	96	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63	-43.6	178.3	0	0	0	0	0	111.2	K556 L559 K560 F565 N566 K572 Y573 I574	K556-A570 HydrophobicContact CG-CB 3.65Å; L559-A570 HydrophobicContact CB-CB 4.2Å; L559-A570 HydrophobicContact CD1-CB 4.33Å; K560-A570 HydrophobicContact CG-CB 4.13Å; F565-A570 HydrophobicContact CB-CB 4.12Å; N566-A570 WeakPolarHBondContact O-CB 3.48Å; N566-A570 PolarHBondContact O-N 2.8Å; A570-K572 VanDerWaalsContact C-N 3.32Å; A570-K572 PolarHBondContact O-N 2.89Å; A570-Y573 PolarHBondContact O-N 2.54Å; A570-I574 WeakPolarHBondContact O-CG1 3.32Å; A570-I574 PolarHBondContact O-N 3.31Å
571	Q	95.2	Very high	95.7	Very high	63 Å²	63	66.6 Å²	66.6	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-65.8	-34.3	176.2	-168.7	64.8	52.5	0	0	112.8	D567 E569 R575	D567-Q571 WeakPolarHBondContact O-CB 3.49Å; D567-Q571 PolarHBondContact O-N 3.39Å; E569-Q571 PolarHBondContact O-N 2.94Å; Q571-R575 WeakPolarHBondContact O-CG 3.4Å; Q571-R575 PolarHBondContact O-N 3.41Å; Q571-R575 PolarHBondContact O-NE 3.42Å
572	K	96.6	Very high	95.6	Very high	121 Å²	121	65 Å²	65	53%	0.526	35%	0.352	S	S	.	.	H	α-helix	trans	-67.2	-46.1	174.6	-177.8	-177.3	171.4	-168.4	0	110.5	N568 E569 A570 I574 R575 E576	N568-K572 VanDerWaalsContact O-CB 3.25Å; N568-K572 WeakPolarHBondContact O-CB 3.42Å; N568-K572 PolarHBondContact O-N 3.35Å; E569-K572 PolarHBondContact O-N 3.01Å; A570-K572 VanDerWaalsContact C-N 3.32Å; A570-K572 PolarHBondContact O-N 2.89Å; K572-I574 PolarHBondContact O-N 3.36Å; K572-R575 WeakPolarHBondContact O-CB 3.45Å; K572-R575 PolarHBondContact O-N 3.36Å; K572-R575 VanDerWaalsContact O-N 3.17Å; K572-E576 WeakPolarHBondContact CE-OE1 3.44Å; K572-E576 IonicContact NZ-OE1 2.89Å; K572-E576 WeakPolarHBondContact O-CG 3.44Å; K572-E576 PolarHBondContact O-N 3.09Å
573	Y	97.5	Very high	95.5	Very high	30 Å²	30	62 Å²	62	12%	0.118	34%	0.338	C	S	.	.	H	α-helix	trans	-60.3	-44.9	178.3	-173.6	-97.6	0	0	0	112.1	I531 Y532 L559 F565 E569 A570 R575 E576 M577 R582	I531-Y573 HydrophobicContact CG2-CE1 4.19Å; I531-Y573 PolarHBondContact O-OH 3.49Å; Y532-Y573 AromaticContact CD2-CE2 3.95Å; Y532-Y573 HydrophobicContact CD2-CE2 3.95Å; Y532-Y573 AromaticContact CD2-CZ 3.81Å; Y532-Y573 HydrophobicContact CE2-CE2 4.17Å; L559-Y573 HydrophobicContact CD1-CD1 3.66Å; L559-Y573 HydrophobicContact CD1-CE1 4.35Å; L559-Y573 HydrophobicContact CD1-CG 4.43Å; L559-Y573 HydrophobicContact CD2-CD1 4.12Å; L559-Y573 HydrophobicContact CD2-CE1 4.13Å; F565-Y573 HydrophobicContact CE1-CG 4.44Å; E569-Y573 WeakPolarHBondContact O-CB 3.4Å; E569-Y573 PolarHBondContact O-N 3.05Å; A570-Y573 PolarHBondContact O-N 2.54Å; Y573-R575 VanDerWaalsContact C-N 3.31Å; Y573-R575 PolarHBondContact O-N 2.89Å; Y573-E576 CarbonylContact O-C 3.57Å; Y573-E576 WeakPolarHBondContact O-CA 3.39Å; Y573-E576 WeakPolarHBondContact O-CB 3.24Å; Y573-E576 PolarHBondContact O-N 3.21Å; Y573-E576 VanDerWaalsContact O-N 3.08Å; Y573-M577 HydrophobicContact CD1-CG 4.1Å; Y573-M577 HydrophobicContact CD1-SD 3.81Å; Y573-M577 HydrophobicContact CE1-CG 3.89Å; Y573-M577 HydrophobicContact CE1-SD 3.46Å; Y573-M577 WeakPolarHBondContact CE1-SD 3.44Å; Y573-M577 WeakPolarHBondContact O-CG 3.29Å; Y573-M577 PolarHBondContact O-N 2.76Å; Y573-R582 PolarHBondContact OH-NH1 2.83Å; Y573-R582 PolarHBondContact OH-NH2 2.82Å
574	I	96.3	Very high	95.5	Very high	6 Å²	6	61.4 Å²	61.4	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-41.2	175.8	-68.5	170.1	0	0	0	111.3	I555 K556 L559 A570 K572 E576 M577 D578 L583	I555-I574 HydrophobicContact CG2-CD1 4.31Å; I555-I574 HydrophobicContact CG2-CG1 4.29Å; K556-I574 HydrophobicContact CB-CD1 3.77Å; K556-I574 HydrophobicContact CG-CD1 4.3Å; L559-I574 HydrophobicContact CD1-CG1 4.24Å; A570-I574 WeakPolarHBondContact O-CG1 3.32Å; A570-I574 PolarHBondContact O-N 3.31Å; K572-I574 PolarHBondContact O-N 3.36Å; I574-E576 VanDerWaalsContact C-N 3.31Å; I574-E576 PolarHBondContact O-N 2.93Å; I574-M577 WeakPolarHBondContact O-CB 3.28Å; I574-M577 PolarHBondContact O-N 2.89Å; I574-D578 PolarHBondContact O-N 2.8Å; I574-L583 HydrophobicContact CG2-CD2 3.88Å
575	R	94.1	Very high	95.3	Very high	148 Å²	148	60.8 Å²	60.8	56%	0.558	31%	0.309	S	S	*	.	H	α-helix	trans	-63.6	-35.7	174.6	-75.6	-178.6	-74.1	169.1	-5.6	112.6	Q571 K572 Y573 A579	Q571-R575 WeakPolarHBondContact O-CG 3.4Å; Q571-R575 PolarHBondContact O-N 3.41Å; Q571-R575 PolarHBondContact O-NE 3.42Å; K572-R575 WeakPolarHBondContact O-CB 3.45Å; K572-R575 PolarHBondContact O-N 3.36Å; K572-R575 VanDerWaalsContact O-N 3.17Å; Y573-R575 VanDerWaalsContact C-N 3.31Å; Y573-R575 PolarHBondContact O-N 2.89Å; R575-A579 VanDerWaalsContact O-CB 3.3Å; R575-A579 WeakPolarHBondContact O-CB 3.44Å; R575-A579 PolarHBondContact O-N 3.16Å
576	E	96.3	Very high	95	Very high	96 Å²	96	59.2 Å²	59.2	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-68.7	-36	173.8	-70.7	170	177.9	0	0	111.6	K572 Y573 I574 A579 S580	K572-E576 WeakPolarHBondContact CE-OE1 3.44Å; K572-E576 IonicContact NZ-OE1 2.89Å; K572-E576 WeakPolarHBondContact O-CG 3.44Å; K572-E576 PolarHBondContact O-N 3.09Å; Y573-E576 CarbonylContact O-C 3.57Å; Y573-E576 WeakPolarHBondContact O-CA 3.39Å; Y573-E576 WeakPolarHBondContact O-CB 3.24Å; Y573-E576 PolarHBondContact O-N 3.21Å; Y573-E576 VanDerWaalsContact O-N 3.08Å; I574-E576 VanDerWaalsContact C-N 3.31Å; I574-E576 PolarHBondContact O-N 2.93Å; E576-A579 PolarHBondContact O-N 3.37Å; E576-S580 VanDerWaalsContact O-CB 3.28Å; E576-S580 WeakPolarHBondContact O-CB 3.3Å; E576-S580 PolarHBondContact O-N 3.33Å; E576-S580 PolarHBondContact O-OG 2.8Å
577	M	96.6	Very high	94.4	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-46.1	172.8	-66.4	-175.9	60.6	0	0	112.5	I531 V538 Y573 I574 S580 M581 R582 L583	I531-M577 HydrophobicContact CG2-CE 3.76Å; I531-M577 HydrophobicContact CG2-SD 3.82Å; V538-M577 HydrophobicContact CB-CE 4.45Å; V538-M577 HydrophobicContact CG2-CE 3.77Å; Y573-M577 HydrophobicContact CD1-CG 4.1Å; Y573-M577 HydrophobicContact CD1-SD 3.81Å; Y573-M577 HydrophobicContact CE1-CG 3.89Å; Y573-M577 HydrophobicContact CE1-SD 3.46Å; Y573-M577 WeakPolarHBondContact CE1-SD 3.44Å; Y573-M577 WeakPolarHBondContact O-CG 3.29Å; Y573-M577 PolarHBondContact O-N 2.76Å; I574-M577 WeakPolarHBondContact O-CB 3.28Å; I574-M577 PolarHBondContact O-N 2.89Å; M577-S580 WeakPolarHBondContact CA-OG 3.45Å; M577-S580 PolarHBondContact O-N 3.25Å; M577-S580 PolarHBondContact O-OG 3.06Å; M577-M581 PolarHBondContact O-N 3.08Å; M577-R582 HydrophobicContact CB-CB 4.24Å; M577-R582 HydrophobicContact CE-CB 4.39Å; M577-R582 PolarHBondContact O-N 2.89Å; M577-R582 PolarHBondContact SD-NH2 3.32Å; M577-L583 HydrophobicContact CB-CB 3.77Å; M577-L583 HydrophobicContact CE-CB 4.29Å; M577-L583 PolarHBondContact O-N 2.85Å
578	D	92.2	Very high	93.2	Very high	74 Å²	74	58.5 Å²	58.5	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-50	175.6	178.8	46	0	0	0	110.3	I574 S580 M581	I574-D578 PolarHBondContact O-N 2.8Å; D578-S580 PolarHBondContact O-N 2.82Å; D578-M581 PolarHBondContact O-N 3.32Å; D578-M581 VanDerWaalsContact O-N 3.08Å
579	A	90.4	Very high	91.4	Very high	86 Å²	86	60.1 Å²	60.1	71%	0.711	31%	0.308	S	S	*	.	H	α-helix	trans	-62.2	-28.7	179.7	0	0	0	0	0	114	R575 E576	R575-A579 VanDerWaalsContact O-CB 3.3Å; R575-A579 WeakPolarHBondContact O-CB 3.44Å; R575-A579 PolarHBondContact O-N 3.16Å; E576-A579 PolarHBondContact O-N 3.37Å
580	S	93.3	Very high	91.1	Very high	69 Å²	69	58.4 Å²	58.4	48%	0.483	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	6.4	178.4	59.3	0	0	0	0	114.1	E576 M577 D578 R582	E576-S580 VanDerWaalsContact O-CB 3.28Å; E576-S580 WeakPolarHBondContact O-CB 3.3Å; E576-S580 PolarHBondContact O-N 3.33Å; E576-S580 PolarHBondContact O-OG 2.8Å; M577-S580 WeakPolarHBondContact CA-OG 3.45Å; M577-S580 PolarHBondContact O-N 3.25Å; M577-S580 PolarHBondContact O-OG 3.06Å; D578-S580 PolarHBondContact O-N 2.82Å; S580-R582 PolarHBondContact O-N 3.23Å
581	M	92.3	Very high	90.8	Very high	85 Å²	85	61.4 Å²	61.4	42%	0.419	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	17	-175.2	-59.2	-65	-68.4	0	0	114.4	L437 M577 D578 Q584	L437-M581 HydrophobicContact CB-CE 4.39Å; L437-M581 HydrophobicContact CD1-CE 3.85Å; L437-M581 HydrophobicContact CG-CE 4.1Å; M577-M581 PolarHBondContact O-N 3.08Å; D578-M581 PolarHBondContact O-N 3.32Å; D578-M581 VanDerWaalsContact O-N 3.08Å; M581-Q584 HydrophobicContact CE-CG 3.98Å; M581-Q584 WeakPolarHBondContact O-CG 3.17Å; M581-Q584 PolarHBondContact O-NE2 2.83Å
582	R	95.7	Very high	90.5	Very high	31 Å²	31	61.3 Å²	61.3	12%	0.117	32%	0.318	C	S	.	.	S	Bend	trans	-78.1	-23.8	170.2	-67	-162.3	-28.8	146.9	25.1	112.4	I531 D535 V537 V538 Y573 M577 S580	I531-R582 PolarHBondContact O-NH1 3.47Å; I531-R582 VanDerWaalsContact O-NH1 3.07Å; I531-R582 PolarHBondContact O-NH2 3.32Å; I531-R582 VanDerWaalsContact O-NH2 3.15Å; D535-R582 IonicContact OD1-CZ 2.91Å; D535-R582 IonicContact OD1-NH1 3.57Å; D535-R582 PolarHBondContact OD1-NH1 3.29Å; V537-R582 CarbonylContact C-O 3.6Å; V537-R582 WeakPolarHBondContact CA-O 3.41Å; V537-R582 WeakPolarHBondContact CG1-O 3.34Å; V538-R582 PolarHBondContact N-O 3.23Å; Y573-R582 PolarHBondContact OH-NH1 2.83Å; Y573-R582 PolarHBondContact OH-NH2 2.82Å; M577-R582 HydrophobicContact CB-CB 4.24Å; M577-R582 HydrophobicContact CE-CB 4.39Å; M577-R582 PolarHBondContact O-N 2.89Å; M577-R582 PolarHBondContact SD-NH2 3.32Å; S580-R582 PolarHBondContact O-N 3.23Å
583	L	96	Very high	90.2	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.9	168.5	175	60.9	0	0	0	107.6	V538 I540 E552 I574 M577 L585	V538-L583 HydrophobicContact CB-CD1 3.92Å; V538-L583 HydrophobicContact CG1-CD1 3.87Å; V538-L583 WeakPolarHBondContact O-CA 3.42Å; I540-L583 HydrophobicContact CD1-CD1 3.74Å; I540-L583 HydrophobicContact CG1-CD1 4.24Å; E552-L583 HydrophobicContact CG-CD2 4.27Å; I574-L583 HydrophobicContact CG2-CD2 3.88Å; M577-L583 HydrophobicContact CB-CB 3.77Å; M577-L583 HydrophobicContact CE-CB 4.29Å; M577-L583 PolarHBondContact O-N 2.85Å; L583-L585 HydrophobicContact CD1-CD1 4Å; L583-L585 HydrophobicContact CD2-CD1 4.3Å; L583-L585 HydrophobicContact CG-CD1 3.8Å
584	Q	95	Very high	89.7	Confident	11 Å²	11	59.6 Å²	59.6	5%	0.051	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.9	179	-57.5	-176.6	39.6	0	0	109.8	F436 L437 V538 F539 I540 M581	F436-Q584 HydrophobicContact CD1-CB 3.8Å; F436-Q584 HydrophobicContact CE1-CB 3.97Å; F436-Q584 WeakPolarHBondContact CE1-O 3.43Å; L437-Q584 PolarHBondContact O-NE2 3.31Å; V538-Q584 PolarHBondContact O-N 3.45Å; F539-Q584 WeakPolarHBondContact CA-O 3.47Å; F539-Q584 HydrophobicContact CD1-CB 3.94Å; F539-Q584 HydrophobicContact CE1-CB 4.07Å; F539-Q584 VanDerWaalsContact CE1-CD 3.49Å; F539-Q584 HydrophobicContact CE1-CG 4.16Å; I540-Q584 PolarHBondContact N-O 3.04Å; M581-Q584 HydrophobicContact CE-CG 3.98Å; M581-Q584 WeakPolarHBondContact O-CG 3.17Å; M581-Q584 PolarHBondContact O-NE2 2.83Å
585	L	92.2	Very high	89.3	Confident	54 Å²	54	63.1 Å²	63.1	28%	0.283	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.8	179.8	-74	73.4	0	0	0	109.8	I540 P548 L583 V587	I540-L585 HydrophobicContact CB-CG 4.26Å; I540-L585 HydrophobicContact CD1-CD1 4.44Å; I540-L585 HydrophobicContact CD1-CG 4.42Å; I540-L585 WeakPolarHBondContact O-CA 3.5Å; P548-L585 HydrophobicContact CB-CD2 3.73Å; L583-L585 HydrophobicContact CD1-CD1 4Å; L583-L585 HydrophobicContact CD2-CD1 4.3Å; L583-L585 HydrophobicContact CG-CD1 3.8Å; L585-V587 HydrophobicContact CB-CG1 4.27Å
586	E	89.9	Confident	88.9	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.009	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	94.4	169.1	-178	172.3	144.1	0	0	108.3	S382 S435 F436 I540 A541 G542 W588	S382-E586 WeakPolarHBondContact CB-OE1 3.44Å; S382-E586 PolarHBondContact OG-OE1 3.34Å; S435-E586 WeakPolarHBondContact OG-CB 3.15Å; S435-E586 VanDerWaalsContact OG-CG 3.23Å; S435-E586 WeakPolarHBondContact OG-CG 3.42Å; S435-E586 PolarHBondContact OG-OE2 3.27Å; F436-E586 HydrophobicContact CD1-CB 3.87Å; F436-E586 HydrophobicContact CD2-CB 3.97Å; F436-E586 WeakPolarHBondContact CD2-OE2 3.31Å; F436-E586 HydrophobicContact CE1-CB 3.48Å; F436-E586 VanDerWaalsContact CE1-CB 3.48Å; F436-E586 VanDerWaalsContact CE1-N 3.3Å; F436-E586 HydrophobicContact CE2-CB 3.59Å; F436-E586 HydrophobicContact CG-CB 4.12Å; F436-E586 WeakPolarHBondContact CG-OE2 3.35Å; F436-E586 HydrophobicContact CZ-CB 3.34Å; I540-E586 PolarHBondContact O-N 3.33Å; A541-E586 WeakPolarHBondContact CA-O 3.33Å; G542-E586 PolarHBondContact N-O 2.99Å; E586-W588 HydrophobicContact CG-CZ2 3.75Å; E586-W588 WeakPolarHBondContact OE1-CZ2 2.92Å
587	V	84.3	Confident	88.4	Confident	42 Å²	42	54.1 Å²	54.1	26%	0.255	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.5	-168.4	-61.5	0	0	0	0	111.6	G542 A544 P548 L585	G542-V587 WeakPolarHBondContact O-CA 3.34Å; A544-V587 HydrophobicContact CB-CB 3.81Å; A544-V587 HydrophobicContact CB-CG2 3.83Å; P548-V587 HydrophobicContact CB-CG1 4.23Å; P548-V587 HydrophobicContact CG-CB 4.36Å; P548-V587 HydrophobicContact CG-CG1 3.46Å; P548-V587 VanDerWaalsContact CG-CG1 3.46Å; L585-V587 HydrophobicContact CB-CG1 4.27Å
588	W	70.8	Confident	87.7	Confident	86 Å²	86	58.4 Å²	58.4	33%	0.326	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145	-173.9	-47.7	90.7	0	0	0	110.9	V242 G542 R543 A544 E586	V242-W588 HydrophobicContact CG1-CH2 4.45Å; G542-W588 PolarHBondContact O-N 3.23Å; R543-W588 CarbonylContact C-O 3.6Å; R543-W588 WeakPolarHBondContact CA-O 3.43Å; A544-W588 WeakPolarHBondContact CB-O 3.45Å; A544-W588 PolarHBondContact N-O 3.35Å; E586-W588 HydrophobicContact CG-CZ2 3.75Å; E586-W588 WeakPolarHBondContact OE1-CZ2 2.92Å
589	T	60.1	Low	87.3	Confident	157 Å²	157	57 Å²	57	96%	0.963	33%	0.331	S	S	*	.			trans	-72.2	0	-179.6	44.1	0	0	0	0	113.9

Retrieved 589 of 589 residues in 295.3 ms (Link to these results)

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