A0A077Z2X6_TRITR Loading...

RNA-splicing ligase RtcB homolog

Catalytic subunit of the tRNA-splicing ligase complex that acts by directly joining spliced tRNA halves to mature-sized tRNAs by incorporating the precursor-derived splice junction phosphate into the mature tRNA as a canonical 3',5'-phosphodiester. May act as an RNA ligase with broad substrate specificity, and may function toward other RNAs.

AlphaFold DB , UniProt , Accession A0A077Z2X6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 498 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	55.8	Low	90	Very high	232 Å²	232	84.6 Å²	84.6	100%	1.143	43%	0.427	S	S	*	.				0	147.5	0	-67.4	-169.2	-161.9	0	0	108.4	R3	M1-R3 PolarHBondContact O-N 2.72Å
2	P	79.6	Confident	90.6	Very high	111 Å²	111	78.6 Å²	78.6	72%	0.721	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-58.4	135.2	168.8	24.6	-30.8	0	0	0	109.4
3	R	89.8	Confident	91.2	Very high	54 Å²	54	77.7 Å²	77.7	20%	0.204	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-64.6	141.3	176.1	-69.6	-176	-56.6	-152.6	-1.8	109.9	M1 E7 E8 F26 C54	M1-R3 PolarHBondContact O-N 2.72Å; R3-E7 WeakPolarHBondContact CA-OE2 3.43Å; R3-E7 HydrophobicContact CB-CB 3.82Å; R3-E7 HydrophobicContact CG-CB 4.19Å; R3-E8 HydrophobicContact CB-CG 4.26Å; R3-E8 VanDerWaalsContact CB-OE1 3.28Å; R3-E8 WeakPolarHBondContact CB-OE1 3.29Å; R3-E8 IonicContact CZ-OE1 3.23Å; R3-E8 IonicContact CZ-OE2 2.72Å; R3-E8 IonicContact NE-OE1 2.7Å; R3-E8 PolarHBondContact NE-OE1 3.26Å; R3-E8 IonicContact NE-OE2 2.76Å; R3-E8 IonicContact NH2-OE1 2.96Å; R3-E8 PolarHBondContact NH2-OE1 2.67Å; R3-E8 IonicContact NH2-OE2 2.72Å; R3-E8 PolarHBondContact NH2-OE2 3.14Å; R3-F26 PolarHBondContact NH1-O 2.71Å; R3-F26 PolarHBondContact NH2-O 2.95Å; R3-C54 PolarHBondContact O-SG 2.72Å; R3-C54 VanDerWaalsContact O-SG 3.35Å
4	S	93.1	Very high	91.6	Very high	51 Å²	51	79.3 Å²	79.3	36%	0.357	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-63.2	163	167.4	63.6	0	0	0	0	111.3	D6 E7 E8	S4-D6 VanDerWaalsContact C-N 3.28Å; S4-D6 PolarHBondContact O-N 2.88Å; S4-E7 WeakPolarHBondContact CB-OE2 3.34Å; S4-E7 PolarHBondContact N-OE2 3.47Å; S4-E7 WeakPolarHBondContact O-CB 3.29Å; S4-E7 PolarHBondContact O-N 3.13Å; S4-E7 VanDerWaalsContact O-N 3.12Å; S4-E7 VanDerWaalsContact OG-CD 3.28Å; S4-E7 VanDerWaalsContact OG-CG 3.23Å; S4-E7 WeakPolarHBondContact OG-CG 3.47Å; S4-E7 PolarHBondContact OG-N 3.24Å; S4-E7 PolarHBondContact OG-OE2 2.9Å; S4-E8 WeakPolarHBondContact O-CG 3.36Å; S4-E8 PolarHBondContact O-N 2.97Å
5	F	94.3	Very high	92	Very high	36 Å²	36	78.9 Å²	78.9	16%	0.158	39%	0.389	C	S	.	.	H	α-helix	trans	-56.5	-43.3	177.9	176.6	-100.1	0	0	0	111.9	E7 E8 M9 F47 L50 R51 C54	F5-E7 VanDerWaalsContact C-N 3.28Å; F5-E7 PolarHBondContact O-N 3.33Å; F5-E8 WeakPolarHBondContact O-CB 3.5Å; F5-E8 PolarHBondContact O-N 3.17Å; F5-M9 HydrophobicContact CD1-CG 4.09Å; F5-M9 HydrophobicContact CD2-CG 4.45Å; F5-M9 HydrophobicContact CE1-CG 3.64Å; F5-M9 HydrophobicContact CE1-SD 4.36Å; F5-M9 HydrophobicContact CE2-CG 4.04Å; F5-M9 HydrophobicContact CE2-SD 4.04Å; F5-M9 HydrophobicContact CG-CG 4.47Å; F5-M9 HydrophobicContact CZ-CG 3.61Å; F5-M9 HydrophobicContact CZ-SD 3.74Å; F5-M9 WeakPolarHBondContact O-CG 3.43Å; F5-M9 PolarHBondContact O-N 3.06Å; F5-F47 HydrophobicContact CE2-CB 4.08Å; F5-F47 HydrophobicContact CZ-CB 4.13Å; F5-F47 HydrophobicContact CZ-CG 4.46Å; F5-L50 HydrophobicContact CD2-CB 4.49Å; F5-L50 HydrophobicContact CD2-CD2 4.33Å; F5-L50 HydrophobicContact CD2-CG 4.17Å; F5-L50 HydrophobicContact CE2-CB 4.38Å; F5-L50 HydrophobicContact CE2-CD2 4.17Å; F5-L50 HydrophobicContact CE2-CG 4.32Å; F5-R51 HydrophobicContact CB-CG 4.3Å; F5-R51 HydrophobicContact CD2-CB 3.77Å; F5-R51 HydrophobicContact CD2-CG 4.15Å; F5-R51 HydrophobicContact CE2-CB 4.13Å; F5-R51 HydrophobicContact CG-CB 4.26Å; F5-R51 HydrophobicContact CG-CG 4.12Å; F5-C54 HydrophobicContact CB-CB 4.34Å
6	D	95.1	Very high	92.3	Very high	118 Å²	118	77.2 Å²	77.2	63%	0.631	39%	0.385	S	S	*	.	H	α-helix	trans	-66.7	-31.8	179.9	-61.5	-26.2	0	0	0	112.1	S4 K10	S4-D6 VanDerWaalsContact C-N 3.28Å; S4-D6 PolarHBondContact O-N 2.88Å; D6-K10 WeakPolarHBondContact O-CG 3.05Å; D6-K10 PolarHBondContact O-N 2.79Å
7	E	95.7	Very high	92.6	Very high	85 Å²	85	78.7 Å²	78.7	40%	0.397	40%	0.401	S	S	.	.	H	α-helix	trans	-71.4	-38.4	172.9	-72.6	168.7	133.9	0	0	112.5	R3 S4 F5 M9 K10 F11	R3-E7 WeakPolarHBondContact CA-OE2 3.43Å; R3-E7 HydrophobicContact CB-CB 3.82Å; R3-E7 HydrophobicContact CG-CB 4.19Å; S4-E7 WeakPolarHBondContact CB-OE2 3.34Å; S4-E7 PolarHBondContact N-OE2 3.47Å; S4-E7 WeakPolarHBondContact O-CB 3.29Å; S4-E7 PolarHBondContact O-N 3.13Å; S4-E7 VanDerWaalsContact O-N 3.12Å; S4-E7 VanDerWaalsContact OG-CD 3.28Å; S4-E7 VanDerWaalsContact OG-CG 3.23Å; S4-E7 WeakPolarHBondContact OG-CG 3.47Å; S4-E7 PolarHBondContact OG-N 3.24Å; S4-E7 PolarHBondContact OG-OE2 2.9Å; F5-E7 VanDerWaalsContact C-N 3.28Å; F5-E7 PolarHBondContact O-N 3.33Å; E7-M9 VanDerWaalsContact C-N 3.34Å; E7-K10 PolarHBondContact O-N 2.87Å; E7-F11 VanDerWaalsContact O-CD2 3.27Å; E7-F11 WeakPolarHBondContact O-CD2 3.36Å; E7-F11 VanDerWaalsContact O-CE2 3.3Å; E7-F11 WeakPolarHBondContact O-CE2 3.42Å
8	E	95.2	Very high	92.9	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-44.5	171.6	-63.7	-72.8	140.8	0	0	111	R3 S4 F5 K10 F11 F26 L50 R66	R3-E8 HydrophobicContact CB-CG 4.26Å; R3-E8 VanDerWaalsContact CB-OE1 3.28Å; R3-E8 WeakPolarHBondContact CB-OE1 3.29Å; R3-E8 IonicContact CZ-OE1 3.23Å; R3-E8 IonicContact CZ-OE2 2.72Å; R3-E8 IonicContact NE-OE1 2.7Å; R3-E8 PolarHBondContact NE-OE1 3.26Å; R3-E8 IonicContact NE-OE2 2.76Å; R3-E8 IonicContact NH2-OE1 2.96Å; R3-E8 PolarHBondContact NH2-OE1 2.67Å; R3-E8 IonicContact NH2-OE2 2.72Å; R3-E8 PolarHBondContact NH2-OE2 3.14Å; S4-E8 WeakPolarHBondContact O-CG 3.36Å; S4-E8 PolarHBondContact O-N 2.97Å; F5-E8 WeakPolarHBondContact O-CB 3.5Å; F5-E8 PolarHBondContact O-N 3.17Å; E8-K10 PolarHBondContact O-N 3.33Å; E8-F11 PolarHBondContact O-N 2.89Å; E8-F11 VanDerWaalsContact O-N 3.11Å; E8-F26 HydrophobicContact CB-CE2 4.05Å; E8-F26 WeakPolarHBondContact OE2-CE2 3.43Å; E8-F26 WeakPolarHBondContact OE2-CZ 3.47Å; E8-L50 HydrophobicContact CB-CD2 4.1Å; E8-L50 HydrophobicContact CG-CD1 4.26Å; E8-R66 IonicContact OE1-CZ 2.87Å; E8-R66 IonicContact OE1-NE 3.29Å; E8-R66 IonicContact OE1-NH2 2.93Å; E8-R66 PolarHBondContact OE1-NH2 2.7Å; E8-R66 IonicContact OE2-CZ 3.27Å; E8-R66 IonicContact OE2-NE 3.78Å; E8-R66 PolarHBondContact OE2-NE 3.4Å; E8-R66 IonicContact OE2-NH2 3.84Å
9	M	96.4	Very high	93.1	Very high	45 Å²	45	72.1 Å²	72.1	22%	0.222	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-21.6	-176.8	-72.2	-57.8	-62	0	0	113.6	F5 E7 F11 I12 W20 F47	F5-M9 HydrophobicContact CD1-CG 4.09Å; F5-M9 HydrophobicContact CD2-CG 4.45Å; F5-M9 HydrophobicContact CE1-CG 3.64Å; F5-M9 HydrophobicContact CE1-SD 4.36Å; F5-M9 HydrophobicContact CE2-CG 4.04Å; F5-M9 HydrophobicContact CE2-SD 4.04Å; F5-M9 HydrophobicContact CG-CG 4.47Å; F5-M9 HydrophobicContact CZ-CG 3.61Å; F5-M9 HydrophobicContact CZ-SD 3.74Å; F5-M9 WeakPolarHBondContact O-CG 3.43Å; F5-M9 PolarHBondContact O-N 3.06Å; E7-M9 VanDerWaalsContact C-N 3.34Å; M9-F11 PolarHBondContact O-N 2.89Å; M9-F11 VanDerWaalsContact O-N 3.15Å; M9-I12 HydrophobicContact CE-CB 4.42Å; M9-I12 HydrophobicContact CE-CG2 4.41Å; M9-I12 PolarHBondContact O-N 3.35Å; M9-I12 HydrophobicContact SD-CB 4.43Å; M9-I12 HydrophobicContact SD-CD1 4.01Å; M9-W20 HydrophobicContact CE-CZ3 4.42Å; M9-F47 HydrophobicContact CE-CE1 4.29Å; M9-F47 HydrophobicContact CE-CE2 3.99Å; M9-F47 HydrophobicContact CE-CZ 3.87Å; M9-F47 HydrophobicContact SD-CD1 4.16Å; M9-F47 HydrophobicContact SD-CE1 3.97Å; M9-F47 HydrophobicContact SD-CZ 4.16Å
10	K	97.3	Very high	93.4	Very high	148 Å²	148	69.2 Å²	69.2	64%	0.643	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.5	174	-69.5	173.5	-173.3	176.5	0	113.4	D6 E7 E8 K23	D6-K10 WeakPolarHBondContact O-CG 3.05Å; D6-K10 PolarHBondContact O-N 2.79Å; E7-K10 PolarHBondContact O-N 2.87Å; E8-K10 PolarHBondContact O-N 3.33Å; K10-K23 PolarHBondContact O-NZ 3.39Å
11	F	97.7	Very high	93.6	Very high	51 Å²	51	68.8 Å²	68.8	22%	0.224	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-2.6	179.2	-57.4	-82.3	0	0	0	113.3	E7 E8 M9 K23 E25 F26	E7-F11 VanDerWaalsContact O-CD2 3.27Å; E7-F11 WeakPolarHBondContact O-CD2 3.36Å; E7-F11 VanDerWaalsContact O-CE2 3.3Å; E7-F11 WeakPolarHBondContact O-CE2 3.42Å; E8-F11 PolarHBondContact O-N 2.89Å; E8-F11 VanDerWaalsContact O-N 3.11Å; M9-F11 PolarHBondContact O-N 2.89Å; M9-F11 VanDerWaalsContact O-N 3.15Å; F11-K23 WeakPolarHBondContact O-CG 3.35Å; F11-K23 PolarHBondContact O-N 3.44Å; F11-E25 HydrophobicContact CD1-CB 3.86Å; F11-E25 HydrophobicContact CE1-CB 3.62Å; F11-F26 HydrophobicContact CB-CB 3.93Å; F11-F26 HydrophobicContact CB-CD2 3.55Å; F11-F26 HydrophobicContact CB-CE2 4.46Å; F11-F26 HydrophobicContact CB-CG 4.18Å; F11-F26 HydrophobicContact CD2-CD2 4.18Å; F11-F26 HydrophobicContact CG-CB 4.41Å; F11-F26 HydrophobicContact CG-CD2 4.08Å
12	I	97.7	Very high	95.7	Very high	12 Å²	12	57.8 Å²	57.8	6%	0.062	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.4	-176.5	-59.4	168.7	0	0	0	108.4	M9 W20 R21 F26 F36 F47 L50 V65	M9-I12 HydrophobicContact CE-CB 4.42Å; M9-I12 HydrophobicContact CE-CG2 4.41Å; M9-I12 PolarHBondContact O-N 3.35Å; M9-I12 HydrophobicContact SD-CB 4.43Å; M9-I12 HydrophobicContact SD-CD1 4.01Å; I12-W20 HydrophobicContact CG2-CE3 3.75Å; I12-W20 HydrophobicContact CG2-CZ3 4.23Å; I12-R21 WeakPolarHBondContact CA-O 3.25Å; I12-F26 HydrophobicContact CD1-CE2 4.04Å; I12-F26 HydrophobicContact CD1-CZ 4.11Å; I12-F26 HydrophobicContact CG1-CE2 4.23Å; I12-F36 HydrophobicContact CG2-CE1 3.95Å; I12-F36 HydrophobicContact CG2-CZ 3.79Å; I12-F47 HydrophobicContact CD1-CE1 4.33Å; I12-F47 HydrophobicContact CG2-CE1 4.27Å; I12-F47 HydrophobicContact CG2-CZ 4.11Å; I12-L50 HydrophobicContact CD1-CD2 3.92Å; I12-V65 HydrophobicContact CD1-CG1 3.68Å; I12-V65 HydrophobicContact CG1-CG1 4.46Å
13	E	97.4	Very high	96.5	Very high	67 Å²	67	55.7 Å²	55.7	31%	0.313	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.6	-172.8	179.4	-173.8	165.7	0	0	111	L15 W20 R21 K23	E13-L15 HydrophobicContact CG-CD2 4.5Å; E13-W20 CarbonylContact O-C 3.56Å; E13-W20 WeakPolarHBondContact O-CA 3.41Å; E13-R21 HydrophobicContact CB-CB 4.26Å; E13-R21 PolarHBondContact N-O 2.94Å; E13-R21 PolarHBondContact O-N 2.95Å; E13-R21 IonicContact OE1-NH2 3.68Å; E13-R21 PolarHBondContact OE1-NH2 2.73Å; E13-R21 VanDerWaalsContact OE1-NH2 3.1Å; E13-R21 IonicContact OE2-CZ 3.49Å; E13-R21 VanDerWaalsContact OE2-CZ 3.28Å; E13-R21 IonicContact OE2-NE 2.77Å; E13-R21 PolarHBondContact OE2-NE 3.25Å; E13-R21 VanDerWaalsContact OE2-NE 3.15Å; E13-R21 IonicContact OE2-NH2 3.35Å; E13-R21 PolarHBondContact OE2-NH2 2.83Å; E13-K23 WeakPolarHBondContact OE2-CE 3.46Å
14	R	97.6	Very high	96.9	Very high	100 Å²	100	57.7 Å²	57.7	38%	0.377	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.8	174.9	-167.8	-178.3	-62.4	-150.1	4.1	109.2	T16 W20 N40 E43	R14-T16 WeakPolarHBondContact CG-O 3.49Å; R14-W20 HydrophobicContact CB-CD2 3.94Å; R14-W20 HydrophobicContact CB-CE3 3.72Å; R14-W20 HydrophobicContact CB-CH2 3.98Å; R14-W20 HydrophobicContact CB-CZ2 4.15Å; R14-W20 HydrophobicContact CB-CZ3 3.75Å; R14-W20 HydrophobicContact CG-CD2 4.09Å; R14-W20 HydrophobicContact CG-CE3 4.37Å; R14-W20 HydrophobicContact CG-CH2 4.36Å; R14-W20 HydrophobicContact CG-CZ2 4.04Å; R14-W20 VanDerWaalsContact NE-CH2 3.34Å; R14-N40 PolarHBondContact NH1-OD1 3.25Å; R14-E43 IonicContact CZ-OE2 2.63Å; R14-E43 IonicContact NH1-OE2 3.42Å; R14-E43 IonicContact NH2-OE1 3.32Å; R14-E43 PolarHBondContact NH2-OE1 3.12Å; R14-E43 IonicContact NH2-OE2 3.7Å; R14-E43 PolarHBondContact NH2-OE2 3.08Å
15	L	97.4	Very high	97	Very high	73 Å²	73	61.3 Å²	61.3	38%	0.382	29%	0.293	S	S	.	.			trans	-95.4	-43.6	175.7	-69.9	-156.2	0	0	0	112.6	E13 Q19 R21 R35	E13-L15 HydrophobicContact CG-CD2 4.5Å; L15-Q19 PolarHBondContact N-O 2.8Å; L15-R21 HydrophobicContact CD2-CB 4.37Å; L15-R21 HydrophobicContact CG-CB 4.4Å; L15-R35 VanDerWaalsContact CD1-CZ 3.49Å; L15-R35 VanDerWaalsContact CG-NH1 3.31Å
16	T	96.8	Very high	97.2	Very high	52 Å²	52	59.7 Å²	59.7	32%	0.319	29%	0.286	S	S	.	.	S	Bend	trans	-135.5	174	-179.9	79.1	0	0	0	0	108.7	R14 V18 Q19	R14-T16 WeakPolarHBondContact CG-O 3.49Å; T16-V18 PolarHBondContact O-N 2.84Å; T16-V18 PolarHBondContact OG1-N 3.31Å; T16-Q19 HydrophobicContact CG2-CB 4.22Å; T16-Q19 PolarHBondContact N-O 3.49Å; T16-Q19 VanDerWaalsContact N-O 3.17Å; T16-Q19 PolarHBondContact O-N 2.84Å; T16-Q19 WeakPolarHBondContact OG1-CB 3.46Å; T16-Q19 PolarHBondContact OG1-N 2.65Å
17	P	97.2	Very high	97.2	Very high	103 Å²	103	54.4 Å²	54.4	67%	0.669	26%	0.258	S	S	*	.	S	Bend	trans	-56.3	-19.7	175.8	-27.7	37.1	0	0	0	114.9
18	V	97.7	Very high	97.1	Very high	13 Å²	13	54.4 Å²	54.4	8%	0.079	27%	0.265	C	S	.	.	S	Bend	trans	-124.5	-6.6	-177.8	-65.9	0	0	0	0	114.4	T16 Y37 V38 N39 T477 A480 A481	T16-V18 PolarHBondContact O-N 2.84Å; T16-V18 PolarHBondContact OG1-N 3.31Å; V18-Y37 CarbonylContact O-C 3.4Å; V18-Y37 WeakPolarHBondContact O-CA 3.33Å; V18-V38 CarbonylContact C-O 3.53Å; V18-V38 WeakPolarHBondContact CA-O 3.35Å; V18-V38 PolarHBondContact O-N 3.32Å; V18-N39 HydrophobicContact CG1-CB 4.31Å; V18-T477 HydrophobicContact CB-CG2 3.86Å; V18-T477 HydrophobicContact CG1-CG2 4.01Å; V18-A480 HydrophobicContact CG1-CB 4.1Å; V18-A480 HydrophobicContact CG2-CB 4.5Å; V18-A481 HydrophobicContact CG2-CB 3.92Å
19	Q	98	Very high	97.1	Very high	19 Å²	19	60 Å²	60	9%	0.089	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138	-172.7	-168.3	-176.2	39.4	0	0	111.9	L15 T16 Y37 E414	L15-Q19 PolarHBondContact N-O 2.8Å; T16-Q19 HydrophobicContact CG2-CB 4.22Å; T16-Q19 PolarHBondContact N-O 3.49Å; T16-Q19 VanDerWaalsContact N-O 3.17Å; T16-Q19 PolarHBondContact O-N 2.84Å; T16-Q19 WeakPolarHBondContact OG1-CB 3.46Å; T16-Q19 PolarHBondContact OG1-N 2.65Å; Q19-Y37 HydrophobicContact CB-CD1 4.12Å; Q19-Y37 HydrophobicContact CB-CE1 4.13Å; Q19-Y37 HydrophobicContact CG-CD1 4.02Å; Q19-Y37 HydrophobicContact CG-CE1 3.66Å; Q19-Y37 PolarHBondContact NE2-OH 3.14Å; Q19-Y37 VanDerWaalsContact NE2-OH 3.13Å; Q19-E414 PolarHBondContact NE2-OE2 2.86Å; Q19-E414 VanDerWaalsContact NE2-OE2 3.15Å
20	W	98.3	Very high	97.2	Very high	13 Å²	13	58.6 Å²	58.6	5%	0.049	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.9	-178.9	-64.2	76.3	0	0	0	112	M9 I12 E13 R14 R35 F36 E43 F47	M9-W20 HydrophobicContact CE-CZ3 4.42Å; I12-W20 HydrophobicContact CG2-CE3 3.75Å; I12-W20 HydrophobicContact CG2-CZ3 4.23Å; E13-W20 CarbonylContact O-C 3.56Å; E13-W20 WeakPolarHBondContact O-CA 3.41Å; R14-W20 HydrophobicContact CB-CD2 3.94Å; R14-W20 HydrophobicContact CB-CE3 3.72Å; R14-W20 HydrophobicContact CB-CH2 3.98Å; R14-W20 HydrophobicContact CB-CZ2 4.15Å; R14-W20 HydrophobicContact CB-CZ3 3.75Å; R14-W20 HydrophobicContact CG-CD2 4.09Å; R14-W20 HydrophobicContact CG-CE3 4.37Å; R14-W20 HydrophobicContact CG-CH2 4.36Å; R14-W20 HydrophobicContact CG-CZ2 4.04Å; R14-W20 VanDerWaalsContact NE-CH2 3.34Å; W20-R35 WeakPolarHBondContact O-CA 3.38Å; W20-R35 WeakPolarHBondContact O-CD 3.19Å; W20-F36 HydrophobicContact CB-CD1 3.94Å; W20-F36 HydrophobicContact CB-CD2 3.84Å; W20-F36 HydrophobicContact CB-CE1 3.51Å; W20-F36 HydrophobicContact CB-CE2 3.4Å; W20-F36 HydrophobicContact CB-CG 4.1Å; W20-F36 HydrophobicContact CB-CZ 3.22Å; W20-F36 AromaticContact CD1-CE2 3.55Å; W20-F36 AromaticContact CD2-CE2 3.94Å; W20-F36 HydrophobicContact CD2-CE2 3.94Å; W20-F36 AromaticContact CD2-CZ 3.89Å; W20-F36 HydrophobicContact CD2-CZ 3.89Å; W20-F36 HydrophobicContact CE3-CZ 4.22Å; W20-F36 HydrophobicContact CG-CD2 4.04Å; W20-F36 HydrophobicContact CG-CE1 4.29Å; W20-F36 AromaticContact CG-CE2 3.34Å; W20-F36 HydrophobicContact CG-CE2 3.34Å; W20-F36 AromaticContact CG-CZ 3.5Å; W20-F36 HydrophobicContact CG-CZ 3.5Å; W20-F36 VanDerWaalsContact CG-CZ 3.5Å; W20-F36 PolarHBondContact N-O 2.86Å; W20-F36 PolarHBondContact O-N 2.84Å; W20-E43 VanDerWaalsContact CH2-OE1 3.32Å; W20-E43 WeakPolarHBondContact CH2-OE1 3.45Å; W20-E43 HydrophobicContact CZ2-CG 3.97Å; W20-E43 VanDerWaalsContact CZ2-OE1 3.31Å; W20-E43 WeakPolarHBondContact CZ2-OE1 3.43Å; W20-F47 HydrophobicContact CD2-CZ 4.46Å; W20-F47 HydrophobicContact CE3-CZ 4.14Å; W20-F47 AromaticContact CH2-CE2 3.7Å; W20-F47 HydrophobicContact CH2-CE2 3.7Å; W20-F47 AromaticContact CH2-CZ 3.98Å; W20-F47 HydrophobicContact CH2-CZ 3.98Å; W20-F47 HydrophobicContact CZ2-CE2 4.01Å; W20-F47 HydrophobicContact CZ2-CZ 4.31Å; W20-F47 HydrophobicContact CZ3-CE2 4.07Å; W20-F47 AromaticContact CZ3-CZ 3.89Å; W20-F47 HydrophobicContact CZ3-CZ 3.89Å
21	R	98.3	Very high	97.1	Very high	62 Å²	62	55.3 Å²	55.3	23%	0.234	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.7	173.5	-173.4	158.9	48.4	-179.1	-4.7	110.3	I12 E13 L15 E33 R35	I12-R21 WeakPolarHBondContact CA-O 3.25Å; E13-R21 HydrophobicContact CB-CB 4.26Å; E13-R21 PolarHBondContact N-O 2.94Å; E13-R21 PolarHBondContact O-N 2.95Å; E13-R21 IonicContact OE1-NH2 3.68Å; E13-R21 PolarHBondContact OE1-NH2 2.73Å; E13-R21 VanDerWaalsContact OE1-NH2 3.1Å; E13-R21 IonicContact OE2-CZ 3.49Å; E13-R21 VanDerWaalsContact OE2-CZ 3.28Å; E13-R21 IonicContact OE2-NE 2.77Å; E13-R21 PolarHBondContact OE2-NE 3.25Å; E13-R21 VanDerWaalsContact OE2-NE 3.15Å; E13-R21 IonicContact OE2-NH2 3.35Å; E13-R21 PolarHBondContact OE2-NH2 2.83Å; L15-R21 HydrophobicContact CD2-CB 4.37Å; L15-R21 HydrophobicContact CG-CB 4.4Å; R21-E33 VanDerWaalsContact CD-CD 3.49Å; R21-E33 VanDerWaalsContact CD-OE1 3.31Å; R21-E33 WeakPolarHBondContact CD-OE1 3.28Å; R21-E33 VanDerWaalsContact CD-OE2 3.31Å; R21-E33 WeakPolarHBondContact CD-OE2 3.31Å; R21-E33 IonicContact NH1-OE1 3.42Å; R21-E33 PolarHBondContact NH1-OE1 2.86Å; R21-R35 VanDerWaalsContact CA-NH1 3.32Å
22	I	98.5	Very high	97.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117	160.2	-55.8	176.9	0	0	0	107.3	F26 M30 G34 F36 V65 V68	I22-F26 HydrophobicContact CG2-CB 3.4Å; I22-F26 VanDerWaalsContact CG2-CB 3.4Å; I22-F26 HydrophobicContact CG2-CD1 3.3Å; I22-F26 HydrophobicContact CG2-CD2 4.41Å; I22-F26 HydrophobicContact CG2-CE1 4.11Å; I22-F26 HydrophobicContact CG2-CG 3.47Å; I22-F26 VanDerWaalsContact CG2-CG 3.47Å; I22-M30 HydrophobicContact CG2-CE 4.11Å; I22-G34 PolarHBondContact N-O 3.14Å; I22-G34 PolarHBondContact O-N 2.79Å; I22-F36 HydrophobicContact CD1-CD1 3.88Å; I22-F36 HydrophobicContact CD1-CE1 4.07Å; I22-F36 HydrophobicContact CG1-CD1 3.86Å; I22-F36 HydrophobicContact CG1-CE1 3.73Å; I22-V65 HydrophobicContact CD1-CG1 3.71Å; I22-V65 HydrophobicContact CG1-CG1 4.37Å; I22-V68 HydrophobicContact CD1-CB 3.91Å; I22-V68 HydrophobicContact CD1-CG1 3.75Å
23	K	98.3	Very high	97.2	Very high	68 Å²	68	55.4 Å²	55.4	30%	0.296	28%	0.28	S	S	.	.			trans	-69.2	153.7	-179.7	-61.3	177.5	-171.7	166.2	0	111.2	K10 F11 E13 E25 F26 M30	K10-K23 PolarHBondContact O-NZ 3.39Å; F11-K23 WeakPolarHBondContact O-CG 3.35Å; F11-K23 PolarHBondContact O-N 3.44Å; E13-K23 WeakPolarHBondContact OE2-CE 3.46Å; K23-E25 WeakPolarHBondContact CB-OE2 3.45Å; K23-E25 PolarHBondContact O-N 2.87Å; K23-E25 VanDerWaalsContact O-N 3.13Å; K23-F26 WeakPolarHBondContact O-CB 3.43Å; K23-F26 PolarHBondContact O-N 2.8Å; K23-M30 WeakPolarHBondContact O-CE 3.48Å
24	K	97.1	Very high	97.2	Very high	96 Å²	96	52.2 Å²	52.2	42%	0.417	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.3	-176.2	-74.7	-174	168	-167.8	0	114	F26 M30 N31 E33	K24-F26 PolarHBondContact O-N 2.86Å; K24-M30 HydrophobicContact CB-CB 4.32Å; K24-M30 VanDerWaalsContact O-CB 3.29Å; K24-M30 WeakPolarHBondContact O-CB 3.16Å; K24-M30 VanDerWaalsContact O-SD 3.36Å; K24-N31 WeakPolarHBondContact CE-O 3.29Å; K24-N31 PolarHBondContact NZ-O 2.87Å; K24-E33 HydrophobicContact CG-CG 4.19Å
25	E	96.1	Very high	97.2	Very high	127 Å²	127	48 Å²	48	59%	0.593	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	1.5	179.7	-53.8	75.8	-165.2	0	0	112.2	F11 K23	F11-E25 HydrophobicContact CD1-CB 3.86Å; F11-E25 HydrophobicContact CE1-CB 3.62Å; K23-E25 WeakPolarHBondContact CB-OE2 3.45Å; K23-E25 PolarHBondContact O-N 2.87Å; K23-E25 VanDerWaalsContact O-N 3.13Å
26	F	97	Very high	97.3	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.231	C	C	.	.	S	Bend	trans	-63.9	-45.3	-177.9	-176.3	-123.8	0	0	0	111.9	R3 E8 F11 I12 I22 K23 K24 M30 V65 R66	R3-F26 PolarHBondContact NH1-O 2.71Å; R3-F26 PolarHBondContact NH2-O 2.95Å; E8-F26 HydrophobicContact CB-CE2 4.05Å; E8-F26 WeakPolarHBondContact OE2-CE2 3.43Å; E8-F26 WeakPolarHBondContact OE2-CZ 3.47Å; F11-F26 HydrophobicContact CB-CB 3.93Å; F11-F26 HydrophobicContact CB-CD2 3.55Å; F11-F26 HydrophobicContact CB-CE2 4.46Å; F11-F26 HydrophobicContact CB-CG 4.18Å; F11-F26 HydrophobicContact CD2-CD2 4.18Å; F11-F26 HydrophobicContact CG-CB 4.41Å; F11-F26 HydrophobicContact CG-CD2 4.08Å; I12-F26 HydrophobicContact CD1-CE2 4.04Å; I12-F26 HydrophobicContact CD1-CZ 4.11Å; I12-F26 HydrophobicContact CG1-CE2 4.23Å; I22-F26 HydrophobicContact CG2-CB 3.4Å; I22-F26 VanDerWaalsContact CG2-CB 3.4Å; I22-F26 HydrophobicContact CG2-CD1 3.3Å; I22-F26 HydrophobicContact CG2-CD2 4.41Å; I22-F26 HydrophobicContact CG2-CE1 4.11Å; I22-F26 HydrophobicContact CG2-CG 3.47Å; I22-F26 VanDerWaalsContact CG2-CG 3.47Å; K23-F26 WeakPolarHBondContact O-CB 3.43Å; K23-F26 PolarHBondContact O-N 2.8Å; K24-F26 PolarHBondContact O-N 2.86Å; F26-M30 HydrophobicContact CB-SD 3.86Å; F26-V65 HydrophobicContact CE1-CG1 3.93Å; F26-V65 HydrophobicContact CZ-CG1 3.92Å; F26-R66 HydrophobicContact CE1-CG 3.91Å; F26-R66 HydrophobicContact CZ-CG 3.97Å
27	V	95.6	Very high	97.4	Very high	8 Å²	8	42.1 Å²	42.1	5%	0.048	22%	0.216	C	C	.	.	S	Bend	trans	-128.6	160.8	170.7	-58.6	0	0	0	0	109.6	M30 G69 N282	V27-M30 HydrophobicContact CG2-CG 3.47Å; V27-M30 VanDerWaalsContact CG2-CG 3.47Å; V27-M30 HydrophobicContact CG2-SD 3.71Å; V27-G69 VanDerWaalsContact CG2-O 3.25Å; V27-G69 WeakPolarHBondContact CG2-O 3.36Å; V27-N282 WeakPolarHBondContact CG2-ND2 3.43Å
28	P	94.7	Very high	97.4	Very high	85 Å²	85	37.2 Å²	37.2	55%	0.552	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	145.6	178.1	-25.1	35.6	0	0	0	112.2	M30 N282	P28-M30 VanDerWaalsContact C-N 3.31Å; P28-M30 PolarHBondContact O-N 3.16Å; P28-N282 PolarHBondContact O-ND2 2.91Å
29	N	94.3	Very high	97.3	Very high	116 Å²	116	37.9 Å²	37.9	62%	0.62	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	23.8	169	-46	-41.9	0	0	0	116.2	N31 S73	N29-N31 PolarHBondContact O-N 3.14Å; N29-S73 VanDerWaalsContact O-CA 3.28Å; N29-S73 WeakPolarHBondContact O-CA 3.22Å; N29-S73 VanDerWaalsContact O-CB 3.29Å; N29-S73 WeakPolarHBondContact O-CB 3.42Å
30	M	97.5	Very high	97.2	Very high	16 Å²	16	42.2 Å²	42.2	8%	0.079	21%	0.211	C	C	.	.			trans	-63.1	121.8	173.4	-65.2	174.7	60.3	0	0	110.9	I22 K23 K24 F26 V27 P28 V32 A72	I22-M30 HydrophobicContact CG2-CE 4.11Å; K23-M30 WeakPolarHBondContact O-CE 3.48Å; K24-M30 HydrophobicContact CB-CB 4.32Å; K24-M30 VanDerWaalsContact O-CB 3.29Å; K24-M30 WeakPolarHBondContact O-CB 3.16Å; K24-M30 VanDerWaalsContact O-SD 3.36Å; F26-M30 HydrophobicContact CB-SD 3.86Å; V27-M30 HydrophobicContact CG2-CG 3.47Å; V27-M30 VanDerWaalsContact CG2-CG 3.47Å; V27-M30 HydrophobicContact CG2-SD 3.71Å; P28-M30 VanDerWaalsContact C-N 3.31Å; P28-M30 PolarHBondContact O-N 3.16Å; M30-V32 WeakPolarHBondContact CE-O 3.4Å; M30-A72 HydrophobicContact CB-CB 4.42Å; M30-A72 HydrophobicContact CE-CB 3.7Å; M30-A72 HydrophobicContact CG-CB 4.24Å
31	N	97.2	Very high	97	Very high	79 Å²	79	49.5 Å²	49.5	42%	0.422	24%	0.238	S	C	.	.	S	Bend	trans	-79.9	-31.1	176.2	-63.9	-58.7	0	0	0	111.4	K24 N29 A72 S73 L74 I77	K24-N31 WeakPolarHBondContact CE-O 3.29Å; K24-N31 PolarHBondContact NZ-O 2.87Å; N29-N31 PolarHBondContact O-N 3.14Å; N31-A72 PolarHBondContact N-O 3.09Å; N31-S73 PolarHBondContact ND2-O 3.31Å; N31-L74 PolarHBondContact ND2-O 2.92Å; N31-I77 HydrophobicContact CB-CG2 3.92Å
32	V	97.6	Very high	96.9	Very high	15 Å²	15	46.7 Å²	46.7	9%	0.091	23%	0.228	C	C	.	.	S	Bend	trans	-131.8	165	-178.4	-64.4	0	0	0	0	111.5	M30 A72 I77 W79	M30-V32 WeakPolarHBondContact CE-O 3.4Å; V32-A72 HydrophobicContact CG2-CB 3.86Å; V32-A72 PolarHBondContact N-O 3.06Å; V32-I77 HydrophobicContact CB-CG2 4.41Å; V32-I77 HydrophobicContact CG1-CG2 4.04Å; V32-I77 HydrophobicContact CG2-CD1 3.9Å; V32-I77 HydrophobicContact CG2-CG1 4.18Å; V32-I77 HydrophobicContact CG2-CG2 3.61Å; V32-W79 WeakPolarHBondContact CB-O 3.38Å; V32-W79 WeakPolarHBondContact CG1-O 3.3Å
33	E	98	Very high	96.7	Very high	51 Å²	51	48.2 Å²	48.2	24%	0.238	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	157.2	168.9	-66	-174.9	156	0	0	110.9	R21 K24 R35 R80 S81	R21-E33 VanDerWaalsContact CD-CD 3.49Å; R21-E33 VanDerWaalsContact CD-OE1 3.31Å; R21-E33 WeakPolarHBondContact CD-OE1 3.28Å; R21-E33 VanDerWaalsContact CD-OE2 3.31Å; R21-E33 WeakPolarHBondContact CD-OE2 3.31Å; R21-E33 IonicContact NH1-OE1 3.42Å; R21-E33 PolarHBondContact NH1-OE1 2.86Å; K24-E33 HydrophobicContact CG-CG 4.19Å; E33-R35 IonicContact OE2-CZ 3.41Å; E33-R35 IonicContact OE2-NH2 3.58Å; E33-R35 PolarHBondContact OE2-NH2 3.3Å; E33-R80 WeakPolarHBondContact O-CA 3.48Å; E33-S81 PolarHBondContact O-N 3.42Å
34	G	98.4	Very high	96.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	151.9	165.2	0	0	0	0	0	111.9	I22 S81	I22-G34 PolarHBondContact N-O 3.14Å; I22-G34 PolarHBondContact O-N 2.79Å; G34-S81 CarbonylContact C-O 3.6Å; G34-S81 WeakPolarHBondContact CA-O 3.29Å
35	R	98.2	Very high	96.2	Very high	10 Å²	10	50.4 Å²	50.4	4%	0.038	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	147	167.8	-67	-72.7	170.5	-160.3	-2	109.5	L15 W20 R21 E33 R80 S81 V82 G83	L15-R35 VanDerWaalsContact CD1-CZ 3.49Å; L15-R35 VanDerWaalsContact CG-NH1 3.31Å; W20-R35 WeakPolarHBondContact O-CA 3.38Å; W20-R35 WeakPolarHBondContact O-CD 3.19Å; R21-R35 VanDerWaalsContact CA-NH1 3.32Å; E33-R35 IonicContact OE2-CZ 3.41Å; E33-R35 IonicContact OE2-NH2 3.58Å; E33-R35 PolarHBondContact OE2-NH2 3.3Å; R35-R80 HydrophobicContact CG-CB 4.34Å; R35-R80 HydrophobicContact CG-CG 4.32Å; R35-S81 PolarHBondContact N-O 3.1Å; R35-V82 HydrophobicContact CB-CG2 4.37Å; R35-V82 CarbonylContact O-C 3.48Å; R35-V82 WeakPolarHBondContact O-CA 3.34Å; R35-G83 PolarHBondContact O-N 3.13Å
36	F	98.2	Very high	96.1	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.3	161.6	61	-87.5	0	0	0	111.7	I12 W20 I22 V38 L46 F47 V65 G83	I12-F36 HydrophobicContact CG2-CE1 3.95Å; I12-F36 HydrophobicContact CG2-CZ 3.79Å; W20-F36 HydrophobicContact CB-CD1 3.94Å; W20-F36 HydrophobicContact CB-CD2 3.84Å; W20-F36 HydrophobicContact CB-CE1 3.51Å; W20-F36 HydrophobicContact CB-CE2 3.4Å; W20-F36 HydrophobicContact CB-CG 4.1Å; W20-F36 HydrophobicContact CB-CZ 3.22Å; W20-F36 AromaticContact CD1-CE2 3.55Å; W20-F36 AromaticContact CD2-CE2 3.94Å; W20-F36 HydrophobicContact CD2-CE2 3.94Å; W20-F36 AromaticContact CD2-CZ 3.89Å; W20-F36 HydrophobicContact CD2-CZ 3.89Å; W20-F36 HydrophobicContact CE3-CZ 4.22Å; W20-F36 HydrophobicContact CG-CD2 4.04Å; W20-F36 HydrophobicContact CG-CE1 4.29Å; W20-F36 AromaticContact CG-CE2 3.34Å; W20-F36 HydrophobicContact CG-CE2 3.34Å; W20-F36 AromaticContact CG-CZ 3.5Å; W20-F36 HydrophobicContact CG-CZ 3.5Å; W20-F36 VanDerWaalsContact CG-CZ 3.5Å; W20-F36 PolarHBondContact N-O 2.86Å; W20-F36 PolarHBondContact O-N 2.84Å; I22-F36 HydrophobicContact CD1-CD1 3.88Å; I22-F36 HydrophobicContact CD1-CE1 4.07Å; I22-F36 HydrophobicContact CG1-CD1 3.86Å; I22-F36 HydrophobicContact CG1-CE1 3.73Å; F36-V38 HydrophobicContact CD2-CG1 4.3Å; F36-V38 HydrophobicContact CD2-CG2 3.78Å; F36-V38 HydrophobicContact CE2-CG2 3.68Å; F36-L46 HydrophobicContact CD2-CD2 3.52Å; F36-L46 HydrophobicContact CE2-CD2 3.62Å; F36-L46 HydrophobicContact CG-CD2 4.21Å; F36-L46 HydrophobicContact CZ-CD2 4.37Å; F36-F47 HydrophobicContact CE2-CE1 4.46Å; F36-F47 HydrophobicContact CE2-CZ 4.28Å; F36-F47 HydrophobicContact CZ-CE1 4Å; F36-F47 AromaticContact CZ-CZ 3.94Å; F36-F47 HydrophobicContact CZ-CZ 3.94Å; F36-V65 HydrophobicContact CE1-CG1 4.48Å; F36-G83 CarbonylContact C-O 3.55Å; F36-G83 WeakPolarHBondContact CA-O 3.14Å; F36-G83 WeakPolarHBondContact CB-O 3.44Å
37	Y	98.4	Very high	96	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.2	-178.2	-61.1	-88.9	0	0	0	109.8	V18 Q19 V82 G83 L84 P85 E414 T415 A481	V18-Y37 CarbonylContact O-C 3.4Å; V18-Y37 WeakPolarHBondContact O-CA 3.33Å; Q19-Y37 HydrophobicContact CB-CD1 4.12Å; Q19-Y37 HydrophobicContact CB-CE1 4.13Å; Q19-Y37 HydrophobicContact CG-CD1 4.02Å; Q19-Y37 HydrophobicContact CG-CE1 3.66Å; Q19-Y37 PolarHBondContact NE2-OH 3.14Å; Q19-Y37 VanDerWaalsContact NE2-OH 3.13Å; Y37-V82 HydrophobicContact CD2-CG1 4.13Å; Y37-V82 HydrophobicContact CE2-CG1 3.63Å; Y37-G83 PolarHBondContact N-O 3.08Å; Y37-L84 HydrophobicContact CD2-CD2 4.43Å; Y37-P85 WeakPolarHBondContact O-CA 3.31Å; Y37-P85 WeakPolarHBondContact O-CB 3.23Å; Y37-P85 WeakPolarHBondContact O-CG 3.48Å; Y37-E414 PolarHBondContact OH-O 2.84Å; Y37-E414 PolarHBondContact OH-OE2 3.47Å; Y37-T415 HydrophobicContact CE2-CG2 3.86Å; Y37-A481 HydrophobicContact CD1-CB 3.74Å; Y37-A481 HydrophobicContact CE1-CB 4.01Å
38	V	97.4	Very high	95.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	23%	0.232	C	C	.	.			trans	-150.2	136.6	174.3	-69.2	0	0	0	0	110	V18 F36 L42 E43 L46	V18-V38 CarbonylContact C-O 3.53Å; V18-V38 WeakPolarHBondContact CA-O 3.35Å; V18-V38 PolarHBondContact O-N 3.32Å; F36-V38 HydrophobicContact CD2-CG1 4.3Å; F36-V38 HydrophobicContact CD2-CG2 3.78Å; F36-V38 HydrophobicContact CE2-CG2 3.68Å; V38-L42 HydrophobicContact CB-CB 3.93Å; V38-L42 HydrophobicContact CG1-CB 3.99Å; V38-E43 HydrophobicContact CG2-CB 4.04Å; V38-L46 HydrophobicContact CG1-CD2 3.92Å; V38-L46 HydrophobicContact CG2-CD2 4.46Å
39	N	96.3	Very high	95.5	Very high	27 Å²	27	45 Å²	45	14%	0.144	22%	0.216	C	C	.	.			trans	-79.7	176.6	165.6	72	23	0	0	0	111.2	V18 R41 L42 E43 D473 T477	V18-N39 HydrophobicContact CG1-CB 4.31Å; N39-R41 PolarHBondContact O-N 3.02Å; N39-R41 VanDerWaalsContact O-N 3.13Å; N39-R41 WeakPolarHBondContact OD1-CA 3.49Å; N39-R41 WeakPolarHBondContact OD1-CB 3.33Å; N39-R41 PolarHBondContact OD1-N 2.7Å; N39-L42 PolarHBondContact O-N 3.06Å; N39-L42 WeakPolarHBondContact OD1-CG 3.25Å; N39-L42 PolarHBondContact OD1-N 3.37Å; N39-E43 VanDerWaalsContact O-CB 3.27Å; N39-E43 WeakPolarHBondContact O-CB 3.31Å; N39-E43 PolarHBondContact O-N 2.76Å; N39-D473 PolarHBondContact ND2-O 3.08Å; N39-T477 WeakPolarHBondContact CB-OG1 3.4Å; N39-T477 PolarHBondContact ND2-OG1 3.09Å
40	N	95.4	Very high	95.5	Very high	110 Å²	110	39.4 Å²	39.4	59%	0.588	19%	0.186	S	C	*	.	H	α-helix	trans	-57.5	-28.8	-179	-67.2	-21.6	0	0	0	114.3	R14	R14-N40 PolarHBondContact NH1-OD1 3.25Å
41	R	94.1	Very high	95.2	Very high	166 Å²	166	42.1 Å²	42.1	63%	0.626	20%	0.195	S	C	*	.	H	α-helix	trans	-76	-44.3	179.3	-64.7	176.7	178.3	175.5	-0.8	111	N39 D473	N39-R41 PolarHBondContact O-N 3.02Å; N39-R41 VanDerWaalsContact O-N 3.13Å; N39-R41 WeakPolarHBondContact OD1-CA 3.49Å; N39-R41 WeakPolarHBondContact OD1-CB 3.33Å; N39-R41 PolarHBondContact OD1-N 2.7Å; R41-D473 VanDerWaalsContact CD-CG 3.48Å; R41-D473 VanDerWaalsContact CD-OD1 3.25Å; R41-D473 WeakPolarHBondContact CD-OD1 3.22Å; R41-D473 WeakPolarHBondContact CD-OD2 3.5Å; R41-D473 IonicContact CZ-OD1 2.65Å; R41-D473 IonicContact NE-OD1 2.73Å; R41-D473 IonicContact NH1-OD1 3.73Å; R41-D473 PolarHBondContact NH1-OD1 2.99Å; R41-D473 IonicContact NH1-OD2 3.65Å
42	L	96.1	Very high	94.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-75	-32.1	-179.3	-61.4	175.2	0	0	0	112.3	V38 N39 K44 L45 L46 P85 K469 D473 V474	V38-L42 HydrophobicContact CB-CB 3.93Å; V38-L42 HydrophobicContact CG1-CB 3.99Å; N39-L42 PolarHBondContact O-N 3.06Å; N39-L42 WeakPolarHBondContact OD1-CG 3.25Å; N39-L42 PolarHBondContact OD1-N 3.37Å; L42-K44 VanDerWaalsContact C-N 3.27Å; L42-K44 PolarHBondContact O-N 2.81Å; L42-L45 PolarHBondContact O-N 3.33Å; L42-L46 PolarHBondContact O-N 2.69Å; L42-L46 VanDerWaalsContact O-N 3.16Å; L42-P85 HydrophobicContact CD1-CB 3.72Å; L42-K469 HydrophobicContact CD2-CB 4.16Å; L42-K469 HydrophobicContact CD2-CD 3.98Å; L42-D473 HydrophobicContact CD1-CB 4.37Å; L42-D473 HydrophobicContact CD2-CB 4.14Å; L42-D473 HydrophobicContact CG-CB 4.17Å; L42-V474 HydrophobicContact CD1-CG2 4.18Å; L42-V474 HydrophobicContact CD2-CG2 4.25Å
43	E	94.8	Very high	94.3	Very high	33 Å²	33	43.7 Å²	43.7	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-53	-45	176.4	177.5	-173.7	172.7	0	0	112	R14 W20 V38 N39 L45 L46 F47	R14-E43 IonicContact CZ-OE2 2.63Å; R14-E43 IonicContact NH1-OE2 3.42Å; R14-E43 IonicContact NH2-OE1 3.32Å; R14-E43 PolarHBondContact NH2-OE1 3.12Å; R14-E43 IonicContact NH2-OE2 3.7Å; R14-E43 PolarHBondContact NH2-OE2 3.08Å; W20-E43 VanDerWaalsContact CH2-OE1 3.32Å; W20-E43 WeakPolarHBondContact CH2-OE1 3.45Å; W20-E43 HydrophobicContact CZ2-CG 3.97Å; W20-E43 VanDerWaalsContact CZ2-OE1 3.31Å; W20-E43 WeakPolarHBondContact CZ2-OE1 3.43Å; V38-E43 HydrophobicContact CG2-CB 4.04Å; N39-E43 VanDerWaalsContact O-CB 3.27Å; N39-E43 WeakPolarHBondContact O-CB 3.31Å; N39-E43 PolarHBondContact O-N 2.76Å; E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 3.28Å; E43-L46 PolarHBondContact O-N 3.45Å; E43-F47 HydrophobicContact CG-CD2 3.37Å; E43-F47 HydrophobicContact CG-CE2 3.32Å; E43-F47 HydrophobicContact CG-CG 4.48Å; E43-F47 HydrophobicContact CG-CZ 4.38Å; E43-F47 PolarHBondContact O-N 2.78Å; E43-F47 WeakPolarHBondContact OE1-CE2 3.37Å
44	K	93.1	Very high	93.9	Very high	140 Å²	140	42.6 Å²	42.6	61%	0.609	21%	0.207	S	C	*	.	H	α-helix	trans	-57.1	-47.7	179.6	-176.5	-178.9	176.7	-175.4	0	111.2	L42 L46 F47 D48	L42-K44 VanDerWaalsContact C-N 3.27Å; L42-K44 PolarHBondContact O-N 2.81Å; K44-L46 VanDerWaalsContact C-N 3.34Å; K44-L46 PolarHBondContact O-N 3.29Å; K44-F47 PolarHBondContact O-N 2.92Å; K44-D48 VanDerWaalsContact O-CB 3.25Å; K44-D48 WeakPolarHBondContact O-CB 3.4Å; K44-D48 PolarHBondContact O-N 2.85Å
45	L	92.1	Very high	93.4	Very high	70 Å²	70	51.7 Å²	51.7	37%	0.366	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-43.7	-179.6	-63.4	174.7	0	0	0	111.5	L42 E43 E49 A426 K469	L42-L45 PolarHBondContact O-N 3.33Å; E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 3.28Å; L45-E49 PolarHBondContact O-N 3.08Å; L45-A426 HydrophobicContact CD1-CB 4.45Å; L45-K469 HydrophobicContact CD1-CB 4.38Å; L45-K469 HydrophobicContact CD1-CD 4.3Å; L45-K469 HydrophobicContact CD1-CG 3.91Å
46	L	93.6	Very high	92.4	Very high	4 Å²	4	54 Å²	54	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-43.5	-178.6	-173	62.9	0	0	0	112.2	F36 V38 L42 E43 K44 E49 L50 A64 V65 I87	F36-L46 HydrophobicContact CD2-CD2 3.52Å; F36-L46 HydrophobicContact CE2-CD2 3.62Å; F36-L46 HydrophobicContact CG-CD2 4.21Å; F36-L46 HydrophobicContact CZ-CD2 4.37Å; V38-L46 HydrophobicContact CG1-CD2 3.92Å; V38-L46 HydrophobicContact CG2-CD2 4.46Å; L42-L46 PolarHBondContact O-N 2.69Å; L42-L46 VanDerWaalsContact O-N 3.16Å; E43-L46 PolarHBondContact O-N 3.45Å; K44-L46 VanDerWaalsContact C-N 3.34Å; K44-L46 PolarHBondContact O-N 3.29Å; L46-E49 WeakPolarHBondContact O-CB 3.34Å; L46-E49 PolarHBondContact O-N 2.76Å; L46-L50 PolarHBondContact O-N 3.15Å; L46-A64 HydrophobicContact CD1-CB 3.92Å; L46-V65 HydrophobicContact CD1-CG2 3.76Å; L46-V65 HydrophobicContact CD2-CG2 3.82Å; L46-V65 HydrophobicContact CG-CG2 3.54Å; L46-I87 HydrophobicContact CD1-CG2 3.95Å; L46-I87 HydrophobicContact CD2-CG2 4.24Å
47	F	94.7	Very high	90.8	Very high	8 Å²	8	56 Å²	56	4%	0.035	29%	0.289	C	S	.	.	H	α-helix	trans	-79.6	-23.1	179.5	-67.9	-33.8	0	0	0	113.7	F5 M9 I12 W20 F36 E43 K44 E49 L50 R51	F5-F47 HydrophobicContact CE2-CB 4.08Å; F5-F47 HydrophobicContact CZ-CB 4.13Å; F5-F47 HydrophobicContact CZ-CG 4.46Å; M9-F47 HydrophobicContact CE-CE1 4.29Å; M9-F47 HydrophobicContact CE-CE2 3.99Å; M9-F47 HydrophobicContact CE-CZ 3.87Å; M9-F47 HydrophobicContact SD-CD1 4.16Å; M9-F47 HydrophobicContact SD-CE1 3.97Å; M9-F47 HydrophobicContact SD-CZ 4.16Å; I12-F47 HydrophobicContact CD1-CE1 4.33Å; I12-F47 HydrophobicContact CG2-CE1 4.27Å; I12-F47 HydrophobicContact CG2-CZ 4.11Å; W20-F47 HydrophobicContact CD2-CZ 4.46Å; W20-F47 HydrophobicContact CE3-CZ 4.14Å; W20-F47 AromaticContact CH2-CE2 3.7Å; W20-F47 HydrophobicContact CH2-CE2 3.7Å; W20-F47 AromaticContact CH2-CZ 3.98Å; W20-F47 HydrophobicContact CH2-CZ 3.98Å; W20-F47 HydrophobicContact CZ2-CE2 4.01Å; W20-F47 HydrophobicContact CZ2-CZ 4.31Å; W20-F47 HydrophobicContact CZ3-CE2 4.07Å; W20-F47 AromaticContact CZ3-CZ 3.89Å; W20-F47 HydrophobicContact CZ3-CZ 3.89Å; F36-F47 HydrophobicContact CE2-CE1 4.46Å; F36-F47 HydrophobicContact CE2-CZ 4.28Å; F36-F47 HydrophobicContact CZ-CE1 4Å; F36-F47 AromaticContact CZ-CZ 3.94Å; F36-F47 HydrophobicContact CZ-CZ 3.94Å; E43-F47 HydrophobicContact CG-CD2 3.37Å; E43-F47 HydrophobicContact CG-CE2 3.32Å; E43-F47 HydrophobicContact CG-CG 4.48Å; E43-F47 HydrophobicContact CG-CZ 4.38Å; E43-F47 PolarHBondContact O-N 2.78Å; E43-F47 WeakPolarHBondContact OE1-CE2 3.37Å; K44-F47 PolarHBondContact O-N 2.92Å; F47-E49 VanDerWaalsContact C-N 3.28Å; F47-E49 PolarHBondContact O-N 3.07Å; F47-L50 HydrophobicContact CD1-CD2 4.44Å; F47-L50 PolarHBondContact O-N 2.97Å; F47-R51 VanDerWaalsContact O-CB 3.28Å; F47-R51 WeakPolarHBondContact O-CB 3.4Å; F47-R51 PolarHBondContact O-N 3.49Å
48	D	91.2	Very high	88.8	Confident	48 Å²	48	64.8 Å²	64.8	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-39	169.5	-75.2	-8.1	0	0	0	110.8	K44 R51 N52	K44-D48 VanDerWaalsContact O-CB 3.25Å; K44-D48 WeakPolarHBondContact O-CB 3.4Å; K44-D48 PolarHBondContact O-N 2.85Å; D48-R51 PolarHBondContact O-N 3.11Å; D48-R51 IonicContact OD1-CZ 2.66Å; D48-R51 IonicContact OD1-NH1 3.78Å; D48-R51 PolarHBondContact OD1-NH1 2.81Å; D48-N52 WeakPolarHBondContact O-CB 3.47Å; D48-N52 PolarHBondContact O-N 2.89Å; D48-N52 PolarHBondContact O-ND2 2.86Å
49	E	89.7	Confident	87	Confident	46 Å²	46	67.4 Å²	67.4	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-60.6	-48.5	173.9	-166.1	-175.9	160.6	0	0	111.8	L45 L46 F47 N52 A53 P63 A64 S89	L45-E49 PolarHBondContact O-N 3.08Å; L46-E49 WeakPolarHBondContact O-CB 3.34Å; L46-E49 PolarHBondContact O-N 2.76Å; F47-E49 VanDerWaalsContact C-N 3.28Å; F47-E49 PolarHBondContact O-N 3.07Å; E49-N52 PolarHBondContact O-N 3.35Å; E49-A53 PolarHBondContact O-N 3.28Å; E49-A53 VanDerWaalsContact O-N 3.17Å; E49-P63 HydrophobicContact CG-CB 4.13Å; E49-P63 WeakPolarHBondContact OE1-CA 3.1Å; E49-A64 PolarHBondContact OE1-N 2.83Å; E49-S89 WeakPolarHBondContact OE1-CB 3.47Å; E49-S89 PolarHBondContact OE1-N 2.96Å; E49-S89 PolarHBondContact OE1-OG 2.78Å
50	L	92.6	Very high	85.7	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-62.5	-44.9	177.1	-175.9	60.5	0	0	0	111.8	F5 E8 I12 L46 F47 N52 A53 C54 P63 R66	F5-L50 HydrophobicContact CD2-CB 4.49Å; F5-L50 HydrophobicContact CD2-CD2 4.33Å; F5-L50 HydrophobicContact CD2-CG 4.17Å; F5-L50 HydrophobicContact CE2-CB 4.38Å; F5-L50 HydrophobicContact CE2-CD2 4.17Å; F5-L50 HydrophobicContact CE2-CG 4.32Å; E8-L50 HydrophobicContact CB-CD2 4.1Å; E8-L50 HydrophobicContact CG-CD1 4.26Å; I12-L50 HydrophobicContact CD1-CD2 3.92Å; L46-L50 PolarHBondContact O-N 3.15Å; F47-L50 HydrophobicContact CD1-CD2 4.44Å; F47-L50 PolarHBondContact O-N 2.97Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 3.19Å; L50-A53 PolarHBondContact O-N 2.92Å; L50-C54 PolarHBondContact O-N 3.13Å; L50-C54 PolarHBondContact O-SG 3.32Å; L50-P63 HydrophobicContact CB-CB 4.34Å; L50-P63 HydrophobicContact CD1-CB 4.1Å; L50-P63 HydrophobicContact CD1-CG 4.22Å; L50-R66 HydrophobicContact CD1-CG 4.24Å
51	R	92.7	Very high	85.1	Confident	72 Å²	72	68.8 Å²	68.8	27%	0.272	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-39.5	179.6	-165.4	179.4	-55.4	108	4.2	111.9	F5 F47 D48 C54 R55	F5-R51 HydrophobicContact CB-CG 4.3Å; F5-R51 HydrophobicContact CD2-CB 3.77Å; F5-R51 HydrophobicContact CD2-CG 4.15Å; F5-R51 HydrophobicContact CE2-CB 4.13Å; F5-R51 HydrophobicContact CG-CB 4.26Å; F5-R51 HydrophobicContact CG-CG 4.12Å; F47-R51 VanDerWaalsContact O-CB 3.28Å; F47-R51 WeakPolarHBondContact O-CB 3.4Å; F47-R51 PolarHBondContact O-N 3.49Å; D48-R51 PolarHBondContact O-N 3.11Å; D48-R51 IonicContact OD1-CZ 2.66Å; D48-R51 IonicContact OD1-NH1 3.78Å; D48-R51 PolarHBondContact OD1-NH1 2.81Å; R51-C54 PolarHBondContact O-N 2.82Å; R51-R55 WeakPolarHBondContact O-CG 3.31Å; R51-R55 PolarHBondContact O-N 2.82Å
52	N	88.1	Confident	85	Confident	89 Å²	89	63.7 Å²	63.7	48%	0.476	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-41.9	177	-73	-27.8	0	0	0	111.8	D48 E49 L50 R55 G57	D48-N52 WeakPolarHBondContact O-CB 3.47Å; D48-N52 PolarHBondContact O-N 2.89Å; D48-N52 PolarHBondContact O-ND2 2.86Å; E49-N52 PolarHBondContact O-N 3.35Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 3.19Å; N52-R55 PolarHBondContact O-N 2.83Å; N52-G57 WeakPolarHBondContact O-CA 3.47Å; N52-G57 PolarHBondContact O-N 3.4Å
53	A	88	Confident	84.8	Confident	38 Å²	38	63.8 Å²	63.8	31%	0.314	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-40.5	176.6	0	0	0	0	0	112.6	E49 L50 R55 G56 P63	E49-A53 PolarHBondContact O-N 3.28Å; E49-A53 VanDerWaalsContact O-N 3.17Å; L50-A53 PolarHBondContact O-N 2.92Å; A53-R55 PolarHBondContact O-N 2.83Å; A53-G56 PolarHBondContact O-N 2.84Å; A53-P63 HydrophobicContact CB-CG 3.23Å
54	C	88.9	Confident	84.9	Confident	29 Å²	29	62.2 Å²	62.2	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-62.6	-24	175.7	-70.7	0	0	0	0	113.5	R3 F5 L50 R51 G56	R3-C54 PolarHBondContact O-SG 2.72Å; R3-C54 VanDerWaalsContact O-SG 3.35Å; F5-C54 HydrophobicContact CB-CB 4.34Å; L50-C54 PolarHBondContact O-N 3.13Å; L50-C54 PolarHBondContact O-SG 3.32Å; R51-C54 PolarHBondContact O-N 2.82Å; C54-G56 VanDerWaalsContact C-N 3.25Å; C54-G56 PolarHBondContact O-N 2.85Å
55	R	87.6	Confident	85	Confident	190 Å²	190	55.6 Å²	55.6	72%	0.717	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	5.8	175.8	-70	174.5	178.1	179.9	-1.5	113.6	R51 N52 A53 G57	R51-R55 WeakPolarHBondContact O-CG 3.31Å; R51-R55 PolarHBondContact O-N 2.82Å; N52-R55 PolarHBondContact O-N 2.83Å; A53-R55 PolarHBondContact O-N 2.83Å; R55-G57 VanDerWaalsContact C-N 3.3Å
56	G	77.4	Confident	85.2	Confident	60 Å²	60	55.1 Å²	55.1	62%	0.619	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	19.1	-173.8	0	0	0	0	0	113.3	A53 C54 I58	A53-G56 PolarHBondContact O-N 2.84Å; C54-G56 VanDerWaalsContact C-N 3.25Å; C54-G56 PolarHBondContact O-N 2.85Å; G56-I58 PolarHBondContact O-N 3.09Å
57	G	64.6	Low	85.4	Confident	44 Å²	44	54.9 Å²	54.9	45%	0.454	32%	0.323	S	S	.	.			trans	-58.6	127.8	174.5	0	0	0	0	0	111	N52 R55 G59	N52-G57 WeakPolarHBondContact O-CA 3.47Å; N52-G57 PolarHBondContact O-N 3.4Å; R55-G57 VanDerWaalsContact C-N 3.3Å; G57-G59 PolarHBondContact O-N 3.17Å
58	I	55.4	Low	85.6	Confident	183 Å²	183	54.5 Å²	54.5	94%	0.938	32%	0.322	S	S	*	.			trans	-79.5	90.5	176.8	-55.4	171.9	0	0	0	107.8	G56	G56-I58 PolarHBondContact O-N 3.09Å
59	G	60.1	Low	85.9	Confident	57 Å²	57	52.2 Å²	52.2	59%	0.588	31%	0.309	S	S	*	.			trans	-97.7	150.4	167.4	0	0	0	0	0	110.8	G57 F61	G57-G59 PolarHBondContact O-N 3.17Å; G59-F61 PolarHBondContact O-N 2.86Å
60	G	68.8	Low	86.3	Confident	71 Å²	71	50.4 Å²	50.4	73%	0.732	30%	0.301	S	S	*	.	S	Bend	trans	-69.5	-20.1	178	0	0	0	0	0	114.3
61	F	82.9	Confident	86.6	Confident	95 Å²	95	50.4 Å²	50.4	42%	0.417	30%	0.301	S	S	.	.	S	Bend	trans	-136.3	158.5	-179.3	-62.6	-64.8	0	0	0	110.8	G59 G90 Y91	G59-F61 PolarHBondContact O-N 2.86Å; F61-G90 WeakPolarHBondContact CD1-O 3.29Å; F61-G90 WeakPolarHBondContact CG-O 3.49Å; F61-Y91 HydrophobicContact CE1-CD2 4.16Å
62	L	91.7	Very high	86.9	Confident	58 Å²	58	47 Å²	47	30%	0.304	29%	0.288	S	S	.	.			trans	-67.5	148.5	173	-67.6	-179.8	0	0	0	110.8	A64 Q67 N70 S89 D283	L62-A64 PolarHBondContact O-N 2.9Å; L62-Q67 HydrophobicContact CB-CG 3.95Å; L62-Q67 VanDerWaalsContact O-CD 3.31Å; L62-Q67 WeakPolarHBondContact O-CG 3.49Å; L62-N70 VanDerWaalsContact CD1-ND2 3.31Å; L62-N70 WeakPolarHBondContact CD1-ND2 3.28Å; L62-S89 PolarHBondContact O-OG 2.81Å; L62-D283 HydrophobicContact CD1-CB 4.37Å; L62-D283 VanDerWaalsContact CD1-OD2 3.23Å; L62-D283 WeakPolarHBondContact CD1-OD2 3.14Å
63	P	93.8	Very high	87.3	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.026	27%	0.268	C	S	.	.			trans	-49.1	136.5	174.1	-28.5	34.3	0	0	0	112.6	E49 L50 A53 V65 R66 Q67	E49-P63 HydrophobicContact CG-CB 4.13Å; E49-P63 WeakPolarHBondContact OE1-CA 3.1Å; L50-P63 HydrophobicContact CB-CB 4.34Å; L50-P63 HydrophobicContact CD1-CB 4.1Å; L50-P63 HydrophobicContact CD1-CG 4.22Å; A53-P63 HydrophobicContact CB-CG 3.23Å; P63-V65 PolarHBondContact O-N 3.49Å; P63-R66 WeakPolarHBondContact O-CA 3.48Å; P63-R66 WeakPolarHBondContact O-CB 3.16Å; P63-R66 PolarHBondContact O-N 3.22Å; P63-Q67 PolarHBondContact O-N 3.16Å
64	A	95.7	Very high	87.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-53.6	-36.6	-176.3	0	0	0	0	0	113.3	L46 E49 L62 R66 Q67 V68 I87 A94	L46-A64 HydrophobicContact CD1-CB 3.92Å; E49-A64 PolarHBondContact OE1-N 2.83Å; L62-A64 PolarHBondContact O-N 2.9Å; A64-R66 PolarHBondContact O-N 3.05Å; A64-Q67 WeakPolarHBondContact O-CB 3.36Å; A64-Q67 PolarHBondContact O-N 3.28Å; A64-Q67 VanDerWaalsContact O-N 3.12Å; A64-V68 WeakPolarHBondContact O-CG2 3.41Å; A64-V68 PolarHBondContact O-N 3.33Å; A64-I87 HydrophobicContact CB-CD1 4.15Å; A64-I87 HydrophobicContact CB-CG1 3.8Å; A64-A94 HydrophobicContact CB-CB 3.95Å
65	V	96.4	Very high	88.1	Confident	1 Å²	1	41 Å²	41	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-42.8	174	-177	0	0	0	0	112.1	I12 I22 F26 F36 L46 P63 Q67 V68 G69	I12-V65 HydrophobicContact CD1-CG1 3.68Å; I12-V65 HydrophobicContact CG1-CG1 4.46Å; I22-V65 HydrophobicContact CD1-CG1 3.71Å; I22-V65 HydrophobicContact CG1-CG1 4.37Å; F26-V65 HydrophobicContact CE1-CG1 3.93Å; F26-V65 HydrophobicContact CZ-CG1 3.92Å; F36-V65 HydrophobicContact CE1-CG1 4.48Å; L46-V65 HydrophobicContact CD1-CG2 3.76Å; L46-V65 HydrophobicContact CD2-CG2 3.82Å; L46-V65 HydrophobicContact CG-CG2 3.54Å; P63-V65 PolarHBondContact O-N 3.49Å; V65-Q67 VanDerWaalsContact C-N 3.34Å; V65-V68 PolarHBondContact O-N 2.92Å; V65-G69 PolarHBondContact O-N 3.08Å
66	R	95.9	Very high	88.5	Confident	60 Å²	60	32.4 Å²	32.4	23%	0.226	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-34.9	174.3	-83.4	178.7	161.4	-116	10.6	111.8	E8 F26 L50 P63 A64 G69 N70	E8-R66 IonicContact OE1-CZ 2.87Å; E8-R66 IonicContact OE1-NE 3.29Å; E8-R66 IonicContact OE1-NH2 2.93Å; E8-R66 PolarHBondContact OE1-NH2 2.7Å; E8-R66 IonicContact OE2-CZ 3.27Å; E8-R66 IonicContact OE2-NE 3.78Å; E8-R66 PolarHBondContact OE2-NE 3.4Å; E8-R66 IonicContact OE2-NH2 3.84Å; F26-R66 HydrophobicContact CE1-CG 3.91Å; F26-R66 HydrophobicContact CZ-CG 3.97Å; L50-R66 HydrophobicContact CD1-CG 4.24Å; P63-R66 WeakPolarHBondContact O-CA 3.48Å; P63-R66 WeakPolarHBondContact O-CB 3.16Å; P63-R66 PolarHBondContact O-N 3.22Å; A64-R66 PolarHBondContact O-N 3.05Å; R66-G69 PolarHBondContact O-N 3.2Å; R66-N70 VanDerWaalsContact O-CG 3.3Å; R66-N70 PolarHBondContact O-N 3.41Å
67	Q	97.5	Very high	89.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-41.6	174.8	-62.4	-172.5	-45.9	0	0	111.8	L62 P63 A64 V65 G69 N70 V71 G90 A94	L62-Q67 HydrophobicContact CB-CG 3.95Å; L62-Q67 VanDerWaalsContact O-CD 3.31Å; L62-Q67 WeakPolarHBondContact O-CG 3.49Å; P63-Q67 PolarHBondContact O-N 3.16Å; A64-Q67 WeakPolarHBondContact O-CB 3.36Å; A64-Q67 PolarHBondContact O-N 3.28Å; A64-Q67 VanDerWaalsContact O-N 3.12Å; V65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-G69 VanDerWaalsContact C-N 3.29Å; Q67-G69 PolarHBondContact O-N 3.39Å; Q67-N70 PolarHBondContact O-N 3.02Å; Q67-N70 VanDerWaalsContact O-N 3.14Å; Q67-V71 WeakPolarHBondContact O-CG2 3.39Å; Q67-V71 PolarHBondContact O-N 3.45Å; Q67-G90 PolarHBondContact NE2-O 2.86Å; Q67-A94 HydrophobicContact CB-CB 4.09Å; Q67-A94 VanDerWaalsContact OE1-CA 3.26Å
68	V	98.3	Very high	91.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56.8	-45	172.7	175.1	0	0	0	0	110.7	I22 A64 V65 V71 A72 S81 I87	I22-V68 HydrophobicContact CD1-CB 3.91Å; I22-V68 HydrophobicContact CD1-CG1 3.75Å; A64-V68 WeakPolarHBondContact O-CG2 3.41Å; A64-V68 PolarHBondContact O-N 3.33Å; V65-V68 PolarHBondContact O-N 2.92Å; V68-V71 PolarHBondContact O-N 2.79Å; V68-A72 PolarHBondContact O-N 2.88Å; V68-S81 WeakPolarHBondContact CG1-O 3.32Å; V68-S81 VanDerWaalsContact O-CB 3.28Å; V68-S81 WeakPolarHBondContact O-CB 3.43Å; V68-S81 PolarHBondContact O-OG 3.29Å; V68-I87 HydrophobicContact CG2-CD1 3.37Å
69	G	98	Very high	93	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-44.3	174.5	0	0	0	0	0	113.3	V27 V65 R66 Q67 V71 A72 S73	V27-G69 VanDerWaalsContact CG2-O 3.25Å; V27-G69 WeakPolarHBondContact CG2-O 3.36Å; V65-G69 PolarHBondContact O-N 3.08Å; R66-G69 PolarHBondContact O-N 3.2Å; Q67-G69 VanDerWaalsContact C-N 3.29Å; Q67-G69 PolarHBondContact O-N 3.39Å; G69-V71 PolarHBondContact O-N 3.36Å; G69-A72 WeakPolarHBondContact O-CB 3.4Å; G69-A72 PolarHBondContact O-N 3.37Å; G69-A72 VanDerWaalsContact O-N 3.16Å; G69-S73 PolarHBondContact O-N 2.87Å
70	N	97.8	Very high	94.7	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.043	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-39.2	178.4	-70.2	-13.8	0	0	0	111.7	L62 R66 Q67 A72 S73 N282 L286	L62-N70 VanDerWaalsContact CD1-ND2 3.31Å; L62-N70 WeakPolarHBondContact CD1-ND2 3.28Å; R66-N70 VanDerWaalsContact O-CG 3.3Å; R66-N70 PolarHBondContact O-N 3.41Å; Q67-N70 PolarHBondContact O-N 3.02Å; Q67-N70 VanDerWaalsContact O-N 3.14Å; N70-A72 VanDerWaalsContact C-N 3.29Å; N70-A72 PolarHBondContact O-N 2.89Å; N70-S73 WeakPolarHBondContact O-CB 3.42Å; N70-S73 PolarHBondContact O-N 2.79Å; N70-S73 PolarHBondContact O-OG 2.67Å; N70-N282 HydrophobicContact CB-CB 4.28Å; N70-N282 WeakPolarHBondContact OD1-CB 3.49Å; N70-L286 HydrophobicContact CB-CD1 3.59Å
71	V	98.6	Very high	96.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.4	-38.4	173.5	169.4	0	0	0	0	110.7	Q67 V68 G69 S73 L74 I77 S81 F93 N97 A99 L286	Q67-V71 WeakPolarHBondContact O-CG2 3.39Å; Q67-V71 PolarHBondContact O-N 3.45Å; V68-V71 PolarHBondContact O-N 2.79Å; G69-V71 PolarHBondContact O-N 3.36Å; V71-S73 PolarHBondContact O-N 3.42Å; V71-S73 VanDerWaalsContact O-N 3.1Å; V71-L74 HydrophobicContact CG1-CD1 4.36Å; V71-L74 WeakPolarHBondContact O-CB 3.28Å; V71-L74 PolarHBondContact O-N 3.48Å; V71-I77 HydrophobicContact CG1-CD1 4.14Å; V71-I77 WeakPolarHBondContact O-CD1 3.45Å; V71-S81 WeakPolarHBondContact CB-OG 3.27Å; V71-S81 WeakPolarHBondContact CG1-OG 3.27Å; V71-F93 HydrophobicContact CB-CD1 4.34Å; V71-F93 HydrophobicContact CB-CE1 4.2Å; V71-F93 HydrophobicContact CB-CZ 4.42Å; V71-F93 HydrophobicContact CG1-CD1 3.87Å; V71-F93 HydrophobicContact CG1-CE1 3.37Å; V71-F93 HydrophobicContact CG1-CZ 3.76Å; V71-F93 HydrophobicContact CG2-CB 4.19Å; V71-F93 HydrophobicContact CG2-CD1 3.49Å; V71-F93 VanDerWaalsContact CG2-CD1 3.49Å; V71-F93 HydrophobicContact CG2-CD2 3.68Å; V71-F93 HydrophobicContact CG2-CE1 3.69Å; V71-F93 HydrophobicContact CG2-CE2 3.86Å; V71-F93 HydrophobicContact CG2-CG 3.48Å; V71-F93 VanDerWaalsContact CG2-CG 3.48Å; V71-F93 HydrophobicContact CG2-CZ 3.87Å; V71-N97 WeakPolarHBondContact CG2-OD1 3.09Å; V71-A99 HydrophobicContact CG1-CB 3.64Å; V71-L286 HydrophobicContact CG2-CD2 3.87Å
72	A	98.4	Very high	96.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.3	174	0	0	0	0	0	114.4	M30 N31 V32 V68 G69 N70	M30-A72 HydrophobicContact CB-CB 4.42Å; M30-A72 HydrophobicContact CE-CB 3.7Å; M30-A72 HydrophobicContact CG-CB 4.24Å; N31-A72 PolarHBondContact N-O 3.09Å; V32-A72 HydrophobicContact CG2-CB 3.86Å; V32-A72 PolarHBondContact N-O 3.06Å; V68-A72 PolarHBondContact O-N 2.88Å; G69-A72 WeakPolarHBondContact O-CB 3.4Å; G69-A72 PolarHBondContact O-N 3.37Å; G69-A72 VanDerWaalsContact O-N 3.16Å; N70-A72 VanDerWaalsContact C-N 3.29Å; N70-A72 PolarHBondContact O-N 2.89Å
73	S	97.9	Very high	97.2	Very high	7 Å²	7	12.8 Å²	12.8	5%	0.049	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.4	173.4	77.3	0	0	0	0	114.4	N29 N31 G69 N70 V71 N282	N29-S73 VanDerWaalsContact O-CA 3.28Å; N29-S73 WeakPolarHBondContact O-CA 3.22Å; N29-S73 VanDerWaalsContact O-CB 3.29Å; N29-S73 WeakPolarHBondContact O-CB 3.42Å; N31-S73 PolarHBondContact ND2-O 3.31Å; G69-S73 PolarHBondContact O-N 2.87Å; N70-S73 WeakPolarHBondContact O-CB 3.42Å; N70-S73 PolarHBondContact O-N 2.79Å; N70-S73 PolarHBondContact O-OG 2.67Å; V71-S73 PolarHBondContact O-N 3.42Å; V71-S73 VanDerWaalsContact O-N 3.1Å; S73-N282 PolarHBondContact OG-ND2 3.07Å
74	L	97.9	Very high	97.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	-66.4	139.7	179.8	-72.4	173.6	0	0	0	111.2	N31 V71 I77 F93 F101 V109 V281 L286	N31-L74 PolarHBondContact ND2-O 2.92Å; V71-L74 HydrophobicContact CG1-CD1 4.36Å; V71-L74 WeakPolarHBondContact O-CB 3.28Å; V71-L74 PolarHBondContact O-N 3.48Å; L74-I77 VanDerWaalsContact O-CG2 3.23Å; L74-I77 WeakPolarHBondContact O-CG2 3.31Å; L74-I77 PolarHBondContact O-N 3.2Å; L74-F93 HydrophobicContact CD1-CE2 3.66Å; L74-F93 HydrophobicContact CD1-CZ 3.48Å; L74-F93 VanDerWaalsContact CD1-CZ 3.48Å; L74-F101 HydrophobicContact CB-CE1 3.71Å; L74-F101 HydrophobicContact CB-CZ 3.91Å; L74-F101 HydrophobicContact CD1-CE1 4.38Å; L74-F101 HydrophobicContact CD1-CZ 3.76Å; L74-V109 HydrophobicContact CB-CG2 4.25Å; L74-V281 HydrophobicContact CD2-CG1 3.86Å; L74-L286 HydrophobicContact CD1-CD2 4.48Å; L74-L286 HydrophobicContact CD2-CB 4.32Å; L74-L286 HydrophobicContact CD2-CD1 4.5Å
75	P	96	Very high	97.5	Very high	23 Å²	23	12.6 Å²	12.6	15%	0.149	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	140.3	178.7	-21.5	33.3	0	0	0	112.4	I77 F101 L107 V109 I279	P75-I77 PolarHBondContact O-N 3.48Å; P75-F101 WeakPolarHBondContact O-CD1 3.48Å; P75-L107 CarbonylContact C-O 3.55Å; P75-L107 HydrophobicContact CB-CB 4.12Å; P75-L107 WeakPolarHBondContact CB-O 3.39Å; P75-V109 HydrophobicContact CB-CG1 4.46Å; P75-I279 HydrophobicContact CG-CG2 4.23Å
76	G	95.6	Very high	97.6	Very high	10 Å²	10	12.5 Å²	12.5	10%	0.103	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	8.8	177.7	0	0	0	0	0	115.3	V78 F101	G76-V78 PolarHBondContact O-N 3.13Å; G76-F101 WeakPolarHBondContact O-CA 3.44Å
77	I	98.1	Very high	97.6	Very high	13 Å²	13	9.8 Å²	9.8	7%	0.067	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	136.4	173.1	-168.3	175.4	0	0	0	110.1	N31 V32 V71 L74 P75 A99 A100 F101	N31-I77 HydrophobicContact CB-CG2 3.92Å; V32-I77 HydrophobicContact CB-CG2 4.41Å; V32-I77 HydrophobicContact CG1-CG2 4.04Å; V32-I77 HydrophobicContact CG2-CD1 3.9Å; V32-I77 HydrophobicContact CG2-CG1 4.18Å; V32-I77 HydrophobicContact CG2-CG2 3.61Å; V71-I77 HydrophobicContact CG1-CD1 4.14Å; V71-I77 WeakPolarHBondContact O-CD1 3.45Å; L74-I77 VanDerWaalsContact O-CG2 3.23Å; L74-I77 WeakPolarHBondContact O-CG2 3.31Å; L74-I77 PolarHBondContact O-N 3.2Å; P75-I77 PolarHBondContact O-N 3.48Å; I77-A99 HydrophobicContact CD1-CB 3.89Å; I77-A99 HydrophobicContact CG1-CB 4.43Å; I77-A100 WeakPolarHBondContact CA-O 3.36Å; I77-F101 HydrophobicContact CB-CD1 4.11Å; I77-F101 HydrophobicContact CB-CE1 3.65Å; I77-F101 HydrophobicContact CB-CZ 4.21Å; I77-F101 HydrophobicContact CG1-CE1 4.2Å; I77-F101 HydrophobicContact CG1-CZ 4.3Å
78	V	97.5	Very high	97.5	Very high	16 Å²	16	10.9 Å²	10.9	10%	0.097	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.1	-176.6	179.6	0	0	0	0	110.1	G76 R80 A100 D102 V356 L363 F416	G76-V78 PolarHBondContact O-N 3.13Å; V78-R80 VanDerWaalsContact C-N 3.35Å; V78-R80 PolarHBondContact O-N 3.09Å; V78-A100 PolarHBondContact N-O 2.97Å; V78-D102 HydrophobicContact CG2-CB 3.68Å; V78-V356 HydrophobicContact CG1-CB 4.4Å; V78-V356 HydrophobicContact CG1-CG1 3.63Å; V78-V356 HydrophobicContact CG1-CG2 3.9Å; V78-L363 HydrophobicContact CB-CD2 4.43Å; V78-L363 HydrophobicContact CG1-CD2 4.39Å; V78-L363 HydrophobicContact CG2-CD2 4.06Å; V78-F416 HydrophobicContact CG1-CZ 4.4Å
79	W	95.8	Very high	97.3	Very high	67 Å²	67	12.3 Å²	12.3	25%	0.254	6%	0.063	S	C	.	.	E	Extended strand (participates in β ladder)	trans	64.3	-78.9	172.5	-170.8	67.7	0	0	0	114.5	V32 V82 E414 F416	V32-W79 WeakPolarHBondContact CB-O 3.38Å; V32-W79 WeakPolarHBondContact CG1-O 3.3Å; W79-V82 HydrophobicContact CE3-CG2 4.45Å; W79-V82 HydrophobicContact CZ3-CG2 3.82Å; W79-E414 WeakPolarHBondContact CH2-O 3.17Å; W79-E414 WeakPolarHBondContact CZ3-O 3.34Å; W79-F416 HydrophobicContact CB-CE2 3.94Å; W79-F416 HydrophobicContact CB-CZ 3.57Å; W79-F416 HydrophobicContact CD2-CE2 4.31Å; W79-F416 HydrophobicContact CD2-CZ 4.15Å; W79-F416 HydrophobicContact CE3-CD2 4.34Å; W79-F416 AromaticContact CE3-CE2 3.77Å; W79-F416 HydrophobicContact CE3-CE2 3.77Å; W79-F416 HydrophobicContact CE3-CZ 4.05Å; W79-F416 HydrophobicContact CG-CE2 4.43Å; W79-F416 HydrophobicContact CG-CZ 4Å
80	R	97.1	Very high	97.1	Very high	59 Å²	59	12.5 Å²	12.5	22%	0.223	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	153.9	-173.8	-54.6	-176.5	-170.5	157.8	-3.9	111.8	E33 R35 V78 V82	E33-R80 WeakPolarHBondContact O-CA 3.48Å; R35-R80 HydrophobicContact CG-CB 4.34Å; R35-R80 HydrophobicContact CG-CG 4.32Å; V78-R80 VanDerWaalsContact C-N 3.35Å; V78-R80 PolarHBondContact O-N 3.09Å; R80-V82 HydrophobicContact CB-CG2 4.17Å
81	S	98.5	Very high	97	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.9	160.2	177.8	0	0	0	0	109	E33 G34 R35 V68 V71 N97	E33-S81 PolarHBondContact O-N 3.42Å; G34-S81 CarbonylContact C-O 3.6Å; G34-S81 WeakPolarHBondContact CA-O 3.29Å; R35-S81 PolarHBondContact N-O 3.1Å; V68-S81 WeakPolarHBondContact CG1-O 3.32Å; V68-S81 VanDerWaalsContact O-CB 3.28Å; V68-S81 WeakPolarHBondContact O-CB 3.43Å; V68-S81 PolarHBondContact O-OG 3.29Å; V71-S81 WeakPolarHBondContact CB-OG 3.27Å; V71-S81 WeakPolarHBondContact CG1-OG 3.27Å; S81-N97 PolarHBondContact OG-ND2 3.2Å
82	V	98.6	Very high	96.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.9	-168.5	-178.7	0	0	0	0	112.1	R35 Y37 W79 R80 N97 M98 T415	R35-V82 HydrophobicContact CB-CG2 4.37Å; R35-V82 CarbonylContact O-C 3.48Å; R35-V82 WeakPolarHBondContact O-CA 3.34Å; Y37-V82 HydrophobicContact CD2-CG1 4.13Å; Y37-V82 HydrophobicContact CE2-CG1 3.63Å; W79-V82 HydrophobicContact CE3-CG2 4.45Å; W79-V82 HydrophobicContact CZ3-CG2 3.82Å; R80-V82 HydrophobicContact CB-CG2 4.17Å; V82-N97 CarbonylContact O-C 3.56Å; V82-N97 VanDerWaalsContact O-CA 3.26Å; V82-N97 WeakPolarHBondContact O-CA 3.21Å; V82-N97 PolarHBondContact O-ND2 3.47Å; V82-M98 HydrophobicContact CB-CB 4.5Å; V82-M98 HydrophobicContact CB-CE 3.87Å; V82-M98 HydrophobicContact CG2-CE 3.65Å; V82-M98 PolarHBondContact N-O 2.79Å; V82-M98 PolarHBondContact O-N 3.45Å; V82-T415 HydrophobicContact CG1-CG2 4.23Å
83	G	98.4	Very high	96.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.5	168.9	0	0	0	0	0	113	R35 F36 Y37 I87 G96	R35-G83 PolarHBondContact O-N 3.13Å; F36-G83 CarbonylContact C-O 3.55Å; F36-G83 WeakPolarHBondContact CA-O 3.14Å; F36-G83 WeakPolarHBondContact CB-O 3.44Å; Y37-G83 PolarHBondContact N-O 3.08Å; G83-I87 VanDerWaalsContact CA-CD1 3.48Å; G83-G96 CarbonylContact C-O 3.54Å
84	L	98.4	Very high	96.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	170.2	178.7	-68.8	159.7	0	0	0	111.8	Y37 D86 I87 G96 T415 T418 T419 I483	Y37-L84 HydrophobicContact CD2-CD2 4.43Å; L84-D86 WeakPolarHBondContact CB-OD1 3.45Å; L84-D86 PolarHBondContact O-N 2.66Å; L84-D86 VanDerWaalsContact O-N 3.12Å; L84-I87 WeakPolarHBondContact O-CA 3.41Å; L84-I87 WeakPolarHBondContact O-CB 3.44Å; L84-I87 WeakPolarHBondContact O-CG2 3.36Å; L84-I87 PolarHBondContact O-N 3.25Å; L84-G96 WeakPolarHBondContact CB-O 3.32Å; L84-G96 PolarHBondContact N-O 3.42Å; L84-T415 HydrophobicContact CD2-CG2 4.5Å; L84-T418 HydrophobicContact CD1-CG2 4.12Å; L84-T419 VanDerWaalsContact CD1-C 3.41Å; L84-T419 WeakPolarHBondContact CD1-O 3.47Å; L84-I483 HydrophobicContact CD2-CD1 3.62Å
85	P	97.7	Very high	96.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-21.4	-170	-21.5	33.6	0	0	0	115.8	Y37 L42 I87 K469 V474 T477	Y37-P85 WeakPolarHBondContact O-CA 3.31Å; Y37-P85 WeakPolarHBondContact O-CB 3.23Å; Y37-P85 WeakPolarHBondContact O-CG 3.48Å; L42-P85 HydrophobicContact CD1-CB 3.72Å; P85-I87 PolarHBondContact O-N 2.91Å; P85-K469 PolarHBondContact O-NZ 3.27Å; P85-V474 HydrophobicContact CB-CB 4.35Å; P85-V474 HydrophobicContact CB-CG1 3.95Å; P85-T477 HydrophobicContact CB-CG2 3.86Å; P85-T477 HydrophobicContact CG-CG2 3.51Å
86	D	96.8	Very high	96.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	5.3	171.9	52.5	-1.5	0	0	0	113.5	L84 H88 C420 H421 G422 K469 V474	L84-D86 WeakPolarHBondContact CB-OD1 3.45Å; L84-D86 PolarHBondContact O-N 2.66Å; L84-D86 VanDerWaalsContact O-N 3.12Å; D86-H88 PolarHBondContact O-N 3.45Å; D86-H88 PolarHBondContact O-ND1 3.02Å; D86-C420 WeakPolarHBondContact OD2-CB 3.35Å; D86-H421 IonicContact OD2-CE1 2.63Å; D86-H421 PolarHBondContact OD2-CE1 3.27Å; D86-H421 IonicContact OD2-CG 2.82Å; D86-H421 PolarHBondContact OD2-N 3.05Å; D86-H421 IonicContact OD2-ND1 3.53Å; D86-H421 PolarHBondContact OD2-ND1 3.2Å; D86-G422 VanDerWaalsContact CB-O 3.31Å; D86-G422 WeakPolarHBondContact CB-O 3.37Å; D86-G422 PolarHBondContact OD2-N 3.05Å; D86-K469 PolarHBondContact O-NZ 3.02Å; D86-V474 HydrophobicContact CB-CG1 3.98Å; D86-V474 HydrophobicContact CB-CG2 4.34Å
87	I	97.1	Very high	96.9	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	130.5	-173.6	-172.4	168.4	0	0	0	114.9	L46 A64 V68 G83 L84 P85 A94 I95 K469	L46-I87 HydrophobicContact CD1-CG2 3.95Å; L46-I87 HydrophobicContact CD2-CG2 4.24Å; A64-I87 HydrophobicContact CB-CD1 4.15Å; A64-I87 HydrophobicContact CB-CG1 3.8Å; V68-I87 HydrophobicContact CG2-CD1 3.37Å; G83-I87 VanDerWaalsContact CA-CD1 3.48Å; L84-I87 WeakPolarHBondContact O-CA 3.41Å; L84-I87 WeakPolarHBondContact O-CB 3.44Å; L84-I87 WeakPolarHBondContact O-CG2 3.36Å; L84-I87 PolarHBondContact O-N 3.25Å; P85-I87 PolarHBondContact O-N 2.91Å; I87-A94 HydrophobicContact CD1-CB 3.73Å; I87-A94 HydrophobicContact CG1-CB 3.7Å; I87-I95 CarbonylContact C-O 3.47Å; I87-I95 WeakPolarHBondContact CA-O 3.42Å; I87-K469 PolarHBondContact O-NZ 3.48Å
88	H	94.8	Very high	97	Very high	23 Å²	23	14.5 Å²	14.5	11%	0.106	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	162.3	174.2	57.2	-75.5	0	0	0	111.6	D86 G90 A94 I95 R425	D86-H88 PolarHBondContact O-N 3.45Å; D86-H88 PolarHBondContact O-ND1 3.02Å; H88-G90 PolarHBondContact O-N 3.4Å; H88-A94 WeakPolarHBondContact O-CA 3.26Å; H88-A94 WeakPolarHBondContact O-CB 3.43Å; H88-I95 WeakPolarHBondContact CE1-CG2 3.46Å; H88-I95 PolarHBondContact N-O 3.38Å; H88-I95 WeakPolarHBondContact NE2-CD1 3.37Å; H88-I95 PolarHBondContact O-N 3.06Å; H88-R425 PolarHBondContact CE1-N 3.34Å
89	S	94.1	Very high	97	Very high	31 Å²	31	13.8 Å²	13.8	22%	0.217	6%	0.062	C	C	.	.			trans	-39.1	127.4	175.7	-101.7	0	0	0	0	113.5	E49 L62	E49-S89 WeakPolarHBondContact OE1-CB 3.47Å; E49-S89 PolarHBondContact OE1-N 2.96Å; E49-S89 PolarHBondContact OE1-OG 2.78Å; L62-S89 PolarHBondContact O-OG 2.81Å
90	G	94.5	Very high	97.1	Very high	4 Å²	4	10.6 Å²	10.6	4%	0.041	5%	0.05	C	C	.	.			trans	-136.2	-172.9	174.1	0	0	0	0	0	113.2	F61 Q67 H88 G92 F93	F61-G90 WeakPolarHBondContact CD1-O 3.29Å; F61-G90 WeakPolarHBondContact CG-O 3.49Å; Q67-G90 PolarHBondContact NE2-O 2.86Å; H88-G90 PolarHBondContact O-N 3.4Å; G90-G92 PolarHBondContact O-N 3.33Å; G90-F93 CarbonylContact C-O 3.57Å; G90-F93 WeakPolarHBondContact CA-O 3.34Å
91	Y	95	Very high	97.2	Very high	56 Å²	56	7.8 Å²	7.8	22%	0.22	4%	0.04	C	C	.	.	S	Bend	trans	-80.2	108.2	172.8	-174.3	-86	0	0	0	111.1	F61 F93 F117 L267 Q285 K368	F61-Y91 HydrophobicContact CE1-CD2 4.16Å; Y91-F93 VanDerWaalsContact C-N 3.26Å; Y91-F93 PolarHBondContact O-N 3.33Å; Y91-F117 HydrophobicContact CD1-CE2 4.04Å; Y91-F117 HydrophobicContact CD1-CZ 4.39Å; Y91-F117 HydrophobicContact CD2-CE2 4.16Å; Y91-F117 HydrophobicContact CD2-CZ 4.42Å; Y91-F117 AromaticContact CG-CE2 3.81Å; Y91-F117 HydrophobicContact CG-CE2 3.81Å; Y91-F117 HydrophobicContact CG-CZ 4.35Å; Y91-L267 HydrophobicContact CE1-CD1 3.79Å; Y91-L267 HydrophobicContact CE1-CD2 3.95Å; Y91-Q285 HydrophobicContact CD1-CB 4.05Å; Y91-Q285 HydrophobicContact CD2-CB 4.34Å; Y91-Q285 HydrophobicContact CD2-CG 4.06Å; Y91-Q285 HydrophobicContact CE1-CB 3.86Å; Y91-Q285 HydrophobicContact CE1-CG 4.35Å; Y91-Q285 WeakPolarHBondContact CE1-O 3.08Å; Y91-Q285 HydrophobicContact CE2-CB 4.18Å; Y91-Q285 HydrophobicContact CE2-CG 3.77Å; Y91-Q285 HydrophobicContact CG-CB 4.28Å; Y91-Q285 HydrophobicContact CG-CG 4.48Å; Y91-K368 PolarHBondContact O-NZ 3.12Å
92	G	95.4	Very high	97.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	70.9	-74.9	-177.7	0	0	0	0	0	112.8	G90 Q285 L286	G90-G92 PolarHBondContact O-N 3.33Å; G92-Q285 WeakPolarHBondContact CA-O 3.13Å; G92-Q285 VanDerWaalsContact N-CB 3.34Å; G92-Q285 VanDerWaalsContact N-OE1 3.08Å; G92-L286 VanDerWaalsContact C-CD2 3.47Å
93	F	97.9	Very high	97.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	-80.2	143.4	167.8	-71.8	-124.9	0	0	0	109.6	V71 L74 G90 Y91 N97 A99 G113 L286 H366 K368	V71-F93 HydrophobicContact CB-CD1 4.34Å; V71-F93 HydrophobicContact CB-CE1 4.2Å; V71-F93 HydrophobicContact CB-CZ 4.42Å; V71-F93 HydrophobicContact CG1-CD1 3.87Å; V71-F93 HydrophobicContact CG1-CE1 3.37Å; V71-F93 HydrophobicContact CG1-CZ 3.76Å; V71-F93 HydrophobicContact CG2-CB 4.19Å; V71-F93 HydrophobicContact CG2-CD1 3.49Å; V71-F93 VanDerWaalsContact CG2-CD1 3.49Å; V71-F93 HydrophobicContact CG2-CD2 3.68Å; V71-F93 HydrophobicContact CG2-CE1 3.69Å; V71-F93 HydrophobicContact CG2-CE2 3.86Å; V71-F93 HydrophobicContact CG2-CG 3.48Å; V71-F93 VanDerWaalsContact CG2-CG 3.48Å; V71-F93 HydrophobicContact CG2-CZ 3.87Å; L74-F93 HydrophobicContact CD1-CE2 3.66Å; L74-F93 HydrophobicContact CD1-CZ 3.48Å; L74-F93 VanDerWaalsContact CD1-CZ 3.48Å; G90-F93 CarbonylContact C-O 3.57Å; G90-F93 WeakPolarHBondContact CA-O 3.34Å; Y91-F93 VanDerWaalsContact C-N 3.26Å; Y91-F93 PolarHBondContact O-N 3.33Å; F93-N97 HydrophobicContact CD1-CB 4.49Å; F93-A99 HydrophobicContact CE1-CB 3.89Å; F93-G113 WeakPolarHBondContact CB-O 3.34Å; F93-L286 HydrophobicContact CD2-CD2 3.44Å; F93-L286 VanDerWaalsContact CD2-CD2 3.44Å; F93-L286 HydrophobicContact CE2-CD2 3.58Å; F93-L286 HydrophobicContact CG-CD2 4.45Å; F93-H366 HydrophobicContact CE1-CB 4.41Å; F93-K368 HydrophobicContact CB-CD 3.99Å; F93-K368 PolarHBondContact O-NZ 3.18Å
94	A	97.4	Very high	97	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	P	Polyproline II helix	trans	-63.7	151.5	166.9	0	0	0	0	0	110.5	A64 Q67 I87 H88 N97	A64-A94 HydrophobicContact CB-CB 3.95Å; Q67-A94 HydrophobicContact CB-CB 4.09Å; Q67-A94 VanDerWaalsContact OE1-CA 3.26Å; I87-A94 HydrophobicContact CD1-CB 3.73Å; I87-A94 HydrophobicContact CG1-CB 3.7Å; H88-A94 WeakPolarHBondContact O-CA 3.26Å; H88-A94 WeakPolarHBondContact O-CB 3.43Å; A94-N97 HydrophobicContact CB-CB 4.17Å; A94-N97 WeakPolarHBondContact O-CB 3.27Å; A94-N97 PolarHBondContact O-N 2.95Å
95	I	96.9	Very high	96.9	Very high	47 Å²	47	16.9 Å²	16.9	24%	0.241	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.4	165.4	-60.7	168.9	0	0	0	106.3	I87 H88	I87-I95 CarbonylContact C-O 3.47Å; I87-I95 WeakPolarHBondContact CA-O 3.42Å; H88-I95 WeakPolarHBondContact CE1-CG2 3.46Å; H88-I95 PolarHBondContact N-O 3.38Å; H88-I95 WeakPolarHBondContact NE2-CD1 3.37Å; H88-I95 PolarHBondContact O-N 3.06Å
96	G	97.6	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.8	7.5	-165.6	0	0	0	0	0	113.7	G83 L84 K368 G369	G83-G96 CarbonylContact C-O 3.54Å; L84-G96 WeakPolarHBondContact CB-O 3.32Å; L84-G96 PolarHBondContact N-O 3.42Å; G96-K368 WeakPolarHBondContact CA-O 3.25Å; G96-K368 PolarHBondContact N-O 2.98Å; G96-G369 VanDerWaalsContact CA-O 3.26Å; G96-G369 WeakPolarHBondContact CA-O 3.43Å; G96-G369 PolarHBondContact N-O 3.02Å
97	N	98.1	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.4	-176	-164	-174.2	0	0	0	111.4	V71 S81 V82 F93 A94 K368	V71-N97 WeakPolarHBondContact CG2-OD1 3.09Å; S81-N97 PolarHBondContact OG-ND2 3.2Å; V82-N97 CarbonylContact O-C 3.56Å; V82-N97 VanDerWaalsContact O-CA 3.26Å; V82-N97 WeakPolarHBondContact O-CA 3.21Å; V82-N97 PolarHBondContact O-ND2 3.47Å; F93-N97 HydrophobicContact CD1-CB 4.49Å; A94-N97 HydrophobicContact CB-CB 4.17Å; A94-N97 WeakPolarHBondContact O-CB 3.27Å; A94-N97 PolarHBondContact O-N 2.95Å; N97-K368 PolarHBondContact N-O 3.39Å; N97-K368 PolarHBondContact O-N 3.14Å
98	M	98.3	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.1	168.5	-177.1	-78.8	-63.5	0	0	110.3	V82 V365 H366 R367 T415 F416 T418	V82-M98 HydrophobicContact CB-CB 4.5Å; V82-M98 HydrophobicContact CB-CE 3.87Å; V82-M98 HydrophobicContact CG2-CE 3.65Å; V82-M98 PolarHBondContact N-O 2.79Å; V82-M98 PolarHBondContact O-N 3.45Å; M98-V365 HydrophobicContact CG-CG1 3.87Å; M98-V365 HydrophobicContact SD-CG1 3.94Å; M98-H366 VanDerWaalsContact CA-O 3.29Å; M98-H366 WeakPolarHBondContact CA-O 3.23Å; M98-R367 HydrophobicContact CG-CG 4.35Å; M98-T415 WeakPolarHBondContact CE-O 3.4Å; M98-F416 HydrophobicContact CE-CB 4.44Å; M98-F416 HydrophobicContact CE-CD2 3.84Å; M98-F416 HydrophobicContact SD-CD2 3.85Å; M98-T418 HydrophobicContact CB-CG2 4.12Å; M98-T418 HydrophobicContact CG-CG2 4.01Å
99	A	98.7	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.2	169	0	0	0	0	0	109.8	V71 I77 F93 F101 H366	V71-A99 HydrophobicContact CG1-CB 3.64Å; I77-A99 HydrophobicContact CD1-CB 3.89Å; I77-A99 HydrophobicContact CG1-CB 4.43Å; F93-A99 HydrophobicContact CE1-CB 3.89Å; A99-F101 HydrophobicContact CB-CE2 4.02Å; A99-F101 HydrophobicContact CB-CZ 4.39Å; A99-H366 PolarHBondContact N-O 3.43Å; A99-H366 VanDerWaalsContact N-O 3.14Å; A99-H366 PolarHBondContact O-N 2.87Å
100	A	98.7	Very high	97.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.9	178.9	0	0	0	0	0	111	I77 V78 L363 C364 V365 F416	I77-A100 WeakPolarHBondContact CA-O 3.36Å; V78-A100 PolarHBondContact N-O 2.97Å; A100-L363 HydrophobicContact CB-CB 4.23Å; A100-L363 HydrophobicContact CB-CD1 3.86Å; A100-C364 CarbonylContact C-O 3.47Å; A100-C364 WeakPolarHBondContact CA-O 3.39Å; A100-V365 HydrophobicContact CB-CG2 4.15Å; A100-F416 HydrophobicContact CB-CD2 3.63Å; A100-F416 HydrophobicContact CB-CE2 3.58Å; A100-F416 HydrophobicContact CB-CZ 4.45Å
101	F	98.7	Very high	97.4	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.8	-179.9	-60.6	-92.6	0	0	0	109.8	L74 P75 G76 I77 A99 V103 A108 V109 L363 C364 H366	L74-F101 HydrophobicContact CB-CE1 3.71Å; L74-F101 HydrophobicContact CB-CZ 3.91Å; L74-F101 HydrophobicContact CD1-CE1 4.38Å; L74-F101 HydrophobicContact CD1-CZ 3.76Å; P75-F101 WeakPolarHBondContact O-CD1 3.48Å; G76-F101 WeakPolarHBondContact O-CA 3.44Å; I77-F101 HydrophobicContact CB-CD1 4.11Å; I77-F101 HydrophobicContact CB-CE1 3.65Å; I77-F101 HydrophobicContact CB-CZ 4.21Å; I77-F101 HydrophobicContact CG1-CE1 4.2Å; I77-F101 HydrophobicContact CG1-CZ 4.3Å; A99-F101 HydrophobicContact CB-CE2 4.02Å; A99-F101 HydrophobicContact CB-CZ 4.39Å; F101-V103 PolarHBondContact O-N 3.05Å; F101-A108 HydrophobicContact CB-CB 4.03Å; F101-V109 HydrophobicContact CD1-CG2 3.79Å; F101-V109 HydrophobicContact CE1-CG2 3.44Å; F101-V109 VanDerWaalsContact CE1-CG2 3.44Å; F101-V109 HydrophobicContact CZ-CG2 3.91Å; F101-L363 CarbonylContact O-C 3.5Å; F101-L363 VanDerWaalsContact O-CA 3.28Å; F101-L363 WeakPolarHBondContact O-CA 3.36Å; F101-C364 PolarHBondContact N-O 3.47Å; F101-C364 PolarHBondContact O-N 2.75Å; F101-H366 AromaticContact CD2-CE1 3.74Å; F101-H366 AromaticContact CD2-ND1 3.4Å; F101-H366 WeakPolarHBondContact CD2-ND1 3.36Å; F101-H366 AromaticContact CE2-CE1 3.88Å; F101-H366 AromaticContact CE2-ND1 3.43Å; F101-H366 WeakPolarHBondContact CE2-ND1 3.45Å
102	D	97.6	Very high	97.6	Very high	16 Å²	16	20.7 Å²	20.7	9%	0.086	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	115.1	179	-174.1	-19.1	0	0	0	110.1	V78 D104 D105 A108 K361 L363	V78-D102 HydrophobicContact CG2-CB 3.68Å; D102-D104 PolarHBondContact O-N 3.44Å; D102-D104 PolarHBondContact OD1-N 2.84Å; D102-D105 HydrophobicContact CB-CB 3.98Å; D102-D105 WeakPolarHBondContact O-CB 3.15Å; D102-D105 PolarHBondContact O-N 2.97Å; D102-A108 WeakPolarHBondContact O-CB 3.24Å; D102-K361 WeakPolarHBondContact OD2-CD 3.19Å; D102-K361 WeakPolarHBondContact OD2-CE 3.18Å; D102-K361 IonicContact OD2-NZ 3.31Å; D102-K361 PolarHBondContact OD2-NZ 2.92Å; D102-L363 HydrophobicContact CB-CD2 4.14Å
103	V	97	Very high	97.6	Very high	14 Å²	14	20.7 Å²	20.7	9%	0.085	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.8	-174.9	-55.1	0	0	0	0	112.9	F101 F291 K292 I351 T362 C364	F101-V103 PolarHBondContact O-N 3.05Å; V103-F291 HydrophobicContact CB-CD1 4.04Å; V103-F291 HydrophobicContact CB-CE1 3.69Å; V103-F291 HydrophobicContact CB-CZ 4.11Å; V103-F291 HydrophobicContact CG1-CD1 4.33Å; V103-F291 HydrophobicContact CG1-CE1 3.8Å; V103-F291 HydrophobicContact CG1-CE2 4.08Å; V103-F291 HydrophobicContact CG1-CZ 3.67Å; V103-K292 WeakPolarHBondContact O-CE 3.22Å; V103-K292 PolarHBondContact O-NZ 3.04Å; V103-K292 VanDerWaalsContact O-NZ 3.14Å; V103-I351 HydrophobicContact CG1-CD1 4.14Å; V103-I351 HydrophobicContact CG1-CG2 4.35Å; V103-T362 HydrophobicContact CG1-CG2 4.37Å; V103-T362 HydrophobicContact CG2-CG2 3.64Å; V103-T362 WeakPolarHBondContact CG2-O 3.23Å; V103-T362 PolarHBondContact N-O 3.21Å; V103-C364 HydrophobicContact CG1-CB 4.06Å
104	D	96.3	Very high	97.6	Very high	107 Å²	107	20.7 Å²	20.7	57%	0.572	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-15.1	178	-70.3	-38.2	0	0	0	113.8	D102 P106 K292	D102-D104 PolarHBondContact O-N 3.44Å; D102-D104 PolarHBondContact OD1-N 2.84Å; D104-P106 WeakPolarHBondContact O-CD 3.37Å; D104-K292 IonicContact OD1-NZ 3.56Å; D104-K292 PolarHBondContact OD1-NZ 3.21Å
105	D	96.8	Very high	97.7	Very high	54 Å²	54	20.7 Å²	20.7	29%	0.289	12%	0.117	S	C	.	.	S	Bend	trans	-70.3	120.2	170.6	-173.8	-18	0	0	0	109.5	D102 L107 A108	D102-D105 HydrophobicContact CB-CB 3.98Å; D102-D105 WeakPolarHBondContact O-CB 3.15Å; D102-D105 PolarHBondContact O-N 2.97Å; D105-L107 PolarHBondContact O-N 3.25Å; D105-L107 VanDerWaalsContact OD1-CB 3.29Å; D105-L107 WeakPolarHBondContact OD1-CB 3.48Å; D105-L107 PolarHBondContact OD1-N 2.92Å; D105-A108 HydrophobicContact CB-CB 4.31Å; D105-A108 VanDerWaalsContact O-CB 3.27Å; D105-A108 WeakPolarHBondContact O-CB 3.37Å; D105-A108 PolarHBondContact O-N 3.2Å
106	P	96.4	Very high	97.7	Very high	107 Å²	107	18.7 Å²	18.7	70%	0.695	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.4	177.1	26.7	-36.3	0	0	0	113.1	D104	D104-P106 WeakPolarHBondContact O-CD 3.37Å
107	L	96.8	Very high	97.5	Very high	85 Å²	85	21.4 Å²	21.4	45%	0.445	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-14.3	175.8	-57.8	-178.5	0	0	0	113.5	P75 D105 V109 R290	P75-L107 CarbonylContact C-O 3.55Å; P75-L107 HydrophobicContact CB-CB 4.12Å; P75-L107 WeakPolarHBondContact CB-O 3.39Å; D105-L107 PolarHBondContact O-N 3.25Å; D105-L107 VanDerWaalsContact OD1-CB 3.29Å; D105-L107 WeakPolarHBondContact OD1-CB 3.48Å; D105-L107 PolarHBondContact OD1-N 2.92Å; L107-V109 WeakPolarHBondContact O-CG1 3.42Å; L107-R290 VanDerWaalsContact CA-NH1 3.25Å; L107-R290 PolarHBondContact O-NH1 2.94Å
108	A	97.8	Very high	97.4	Very high	1 Å²	1	23 Å²	23	1%	0.008	13%	0.128	C	C	.	.			trans	-56.2	145	-178.6	0	0	0	0	0	112.6	F101 D102 D105 R290 F291	F101-A108 HydrophobicContact CB-CB 4.03Å; D102-A108 WeakPolarHBondContact O-CB 3.24Å; D105-A108 HydrophobicContact CB-CB 4.31Å; D105-A108 VanDerWaalsContact O-CB 3.27Å; D105-A108 WeakPolarHBondContact O-CB 3.37Å; D105-A108 PolarHBondContact O-N 3.2Å; A108-R290 CarbonylContact O-C 3.54Å; A108-R290 WeakPolarHBondContact O-CA 3.26Å; A108-F291 HydrophobicContact CB-CB 4.22Å; A108-F291 PolarHBondContact O-N 3.42Å
109	V	98.3	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	158.4	-174.9	-61.7	0	0	0	0	111.9	L74 P75 F101 L107 I279 C288 A289	L74-V109 HydrophobicContact CB-CG2 4.25Å; P75-V109 HydrophobicContact CB-CG1 4.46Å; F101-V109 HydrophobicContact CD1-CG2 3.79Å; F101-V109 HydrophobicContact CE1-CG2 3.44Å; F101-V109 VanDerWaalsContact CE1-CG2 3.44Å; F101-V109 HydrophobicContact CZ-CG2 3.91Å; L107-V109 WeakPolarHBondContact O-CG1 3.42Å; V109-I279 HydrophobicContact CG1-CD1 4.39Å; V109-C288 HydrophobicContact CB-CB 4.09Å; V109-C288 HydrophobicContact CG2-CB 4.36Å; V109-A289 CarbonylContact C-O 3.58Å; V109-A289 WeakPolarHBondContact CA-O 3.11Å; V109-A289 WeakPolarHBondContact CB-O 3.43Å
110	I	98.5	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.6	166.2	-172.4	81.6	0	0	0	108.2	M270 C288 A289 G296 Y299 L300 A349 C364 H366	I110-M270 HydrophobicContact CG2-CE 4.02Å; I110-C288 VanDerWaalsContact O-CA 3.29Å; I110-C288 WeakPolarHBondContact O-CA 3.45Å; I110-C288 VanDerWaalsContact O-CB 3.27Å; I110-C288 WeakPolarHBondContact O-CB 3.46Å; I110-A289 PolarHBondContact N-O 3.31Å; I110-A289 PolarHBondContact O-N 2.96Å; I110-A289 VanDerWaalsContact O-N 3.1Å; I110-G296 VanDerWaalsContact CG2-CA 3.46Å; I110-Y299 HydrophobicContact CD1-CE1 4.39Å; I110-Y299 HydrophobicContact CG1-CD1 3.58Å; I110-Y299 HydrophobicContact CG1-CE1 3.7Å; I110-Y299 HydrophobicContact CG2-CD1 4.37Å; I110-L300 HydrophobicContact CD1-CD2 3.75Å; I110-L300 HydrophobicContact CD1-CG 4.29Å; I110-L300 HydrophobicContact CG1-CD2 4.27Å; I110-L300 HydrophobicContact CG1-CG 4.31Å; I110-A349 HydrophobicContact CD1-CB 3.88Å; I110-C364 VanDerWaalsContact CD1-SG 3.53Å; I110-H366 VanDerWaalsContact CD1-CE1 3.48Å; I110-H366 WeakPolarHBondContact CD1-CE1 3.14Å; I110-H366 WeakPolarHBondContact CD1-NE2 3.45Å
111	S	98.2	Very high	97.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.			trans	-126.4	123.8	179.1	-176.6	0	0	0	0	111.6	G113 G114 V115 A287 H366	S111-G113 PolarHBondContact O-N 3.23Å; S111-G113 PolarHBondContact OG-N 3.45Å; S111-G114 PolarHBondContact O-N 2.98Å; S111-V115 PolarHBondContact O-N 2.66Å; S111-A287 PolarHBondContact OG-O 3.46Å; S111-H366 PolarHBondContact N-NE2 3.06Å; S111-H366 PolarHBondContact O-CD2 3Å
112	P	97.7	Very high	97.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.013	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-59	-33.1	170.5	-23.3	31.7	0	0	0	112.3	G114 V115 G116 A263 A266 L267 M270 Y299	P112-G114 PolarHBondContact O-N 2.63Å; P112-V115 PolarHBondContact O-N 3.41Å; P112-V115 VanDerWaalsContact O-N 3.12Å; P112-G116 PolarHBondContact O-N 3Å; P112-A263 HydrophobicContact CB-CB 4.36Å; P112-A266 HydrophobicContact CG-CB 3.68Å; P112-L267 HydrophobicContact CB-CD2 4.18Å; P112-L267 HydrophobicContact CB-CG 4.2Å; P112-L267 HydrophobicContact CG-CD2 4.3Å; P112-L267 HydrophobicContact CG-CG 4.41Å; P112-M270 WeakPolarHBondContact CD-SD 3.32Å; P112-M270 HydrophobicContact CG-CE 4.04Å; P112-M270 HydrophobicContact CG-SD 3.73Å; P112-Y299 WeakPolarHBondContact CA-OH 3.31Å; P112-Y299 HydrophobicContact CB-CE1 4.45Å; P112-Y299 HydrophobicContact CB-CE2 3.95Å; P112-Y299 HydrophobicContact CG-CD1 4.29Å; P112-Y299 HydrophobicContact CG-CD2 4.07Å; P112-Y299 HydrophobicContact CG-CE1 4.09Å; P112-Y299 HydrophobicContact CG-CE2 3.86Å; P112-Y299 HydrophobicContact CG-CG 4.29Å
113	G	96.8	Very high	97.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.01	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-61	-27.5	174.5	0	0	0	0	0	113.3	F93 S111 K368	F93-G113 WeakPolarHBondContact CB-O 3.34Å; S111-G113 PolarHBondContact O-N 3.23Å; S111-G113 PolarHBondContact OG-N 3.45Å; G113-K368 WeakPolarHBondContact O-CD 3.4Å; G113-K368 WeakPolarHBondContact O-CE 3.2Å; G113-K368 PolarHBondContact O-NZ 2.76Å
114	G	97.7	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-87.4	-9.6	176.4	0	0	0	0	0	115.3	S111 P112 K368	S111-G114 PolarHBondContact O-N 2.98Å; P112-G114 PolarHBondContact O-N 2.63Å; G114-K368 WeakPolarHBondContact O-CB 3.26Å
115	V	98.3	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-43.8	170	174.6	0	0	0	0	110.2	S111 P112 I119 Y299 M303 N347 A349	S111-V115 PolarHBondContact O-N 2.66Å; P112-V115 PolarHBondContact O-N 3.41Å; P112-V115 VanDerWaalsContact O-N 3.12Å; V115-I119 HydrophobicContact CG1-CG1 4.16Å; V115-Y299 VanDerWaalsContact CB-OH 3.31Å; V115-Y299 WeakPolarHBondContact CB-OH 3.41Å; V115-Y299 HydrophobicContact CG2-CE1 4.44Å; V115-Y299 VanDerWaalsContact CG2-OH 3.27Å; V115-Y299 WeakPolarHBondContact CG2-OH 3.27Å; V115-M303 HydrophobicContact CG1-CG 4.45Å; V115-M303 HydrophobicContact CG1-SD 4.18Å; V115-M303 HydrophobicContact CG2-SD 3.86Å; V115-N347 WeakPolarHBondContact O-CA 3.18Å; V115-N347 WeakPolarHBondContact O-CB 3.45Å; V115-A349 HydrophobicContact CG2-CB 3.64Å
116	G	96.7	Very high	97.5	Very high	4 Å²	4	14.1 Å²	14.1	4%	0.041	8%	0.08	C	C	.	.			trans	102.5	161.1	-171.5	0	0	0	0	0	112.5	P112	P112-G116 PolarHBondContact O-N 3Å
117	F	95.1	Very high	97.6	Very high	57 Å²	57	11.2 Å²	11.2	25%	0.25	6%	0.055	C	C	.	.	S	Bend	trans	-71.5	-41.6	-177.8	-74.4	-93.1	0	0	0	112.3	Y91 I119 G259 H260 A263 L267	Y91-F117 HydrophobicContact CD1-CE2 4.04Å; Y91-F117 HydrophobicContact CD1-CZ 4.39Å; Y91-F117 HydrophobicContact CD2-CE2 4.16Å; Y91-F117 HydrophobicContact CD2-CZ 4.42Å; Y91-F117 AromaticContact CG-CE2 3.81Å; Y91-F117 HydrophobicContact CG-CE2 3.81Å; Y91-F117 HydrophobicContact CG-CZ 4.35Å; F117-I119 VanDerWaalsContact C-N 3.3Å; F117-I119 PolarHBondContact O-N 2.65Å; F117-G259 CarbonylContact O-C 3.5Å; F117-G259 VanDerWaalsContact O-O 3.1Å; F117-H260 AromaticContact CD1-CD2 3.81Å; F117-H260 AromaticContact CD1-NE2 3.78Å; F117-H260 VanDerWaalsContact O-CA 3.25Å; F117-H260 WeakPolarHBondContact O-CA 3.45Å; F117-H260 PolarHBondContact O-N 3.07Å; F117-A263 HydrophobicContact CD1-CB 3.95Å; F117-A263 HydrophobicContact CE1-CB 4.46Å; F117-A263 HydrophobicContact CG-CB 4.42Å; F117-L267 HydrophobicContact CE1-CD1 3.99Å; F117-L267 HydrophobicContact CZ-CD1 3.71Å
118	D	95.4	Very high	97.7	Very high	34 Å²	34	7.2 Å²	7.2	18%	0.182	3%	0.034	C	C	.	.	S	Bend	trans	-84.4	80.5	175.1	-163.2	-7.1	0	0	0	109.6	N120 C121 H220 G254 S255 N347	D118-N120 PolarHBondContact O-N 3.18Å; D118-C121 HydrophobicContact CB-CB 4.03Å; D118-C121 VanDerWaalsContact O-CB 3.29Å; D118-C121 WeakPolarHBondContact O-CB 3.31Å; D118-C121 PolarHBondContact O-N 3.21Å; D118-H220 IonicContact OD2-CE1 3.84Å; D118-H220 PolarHBondContact OD2-CE1 2.7Å; D118-H220 IonicContact OD2-NE2 3.33Å; D118-H220 PolarHBondContact OD2-NE2 2.78Å; D118-G254 WeakPolarHBondContact OD1-CA 3.23Å; D118-S255 PolarHBondContact OD1-N 2.99Å; D118-S255 PolarHBondContact OD1-OG 3.4Å; D118-N347 WeakPolarHBondContact O-CB 3.32Å; D118-N347 PolarHBondContact O-ND2 3.15Å
119	I	97.4	Very high	97.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	133.2	-179	-61.5	175.6	0	0	0	109	V115 F117 C121 S255 V262 Y299 M303 A306 A307 I348	V115-I119 HydrophobicContact CG1-CG1 4.16Å; F117-I119 VanDerWaalsContact C-N 3.3Å; F117-I119 PolarHBondContact O-N 2.65Å; I119-C121 PolarHBondContact O-N 3.37Å; I119-C121 VanDerWaalsContact O-N 3.15Å; I119-S255 PolarHBondContact N-OG 3.31Å; I119-S255 WeakPolarHBondContact O-CB 3.37Å; I119-S255 PolarHBondContact O-N 3.22Å; I119-S255 PolarHBondContact O-OG 3.35Å; I119-V262 HydrophobicContact CD1-CB 4.07Å; I119-V262 HydrophobicContact CD1-CG1 3.82Å; I119-Y299 HydrophobicContact CD1-CE2 4.4Å; I119-M303 HydrophobicContact CD1-CB 4.25Å; I119-M303 HydrophobicContact CD1-CG 4.13Å; I119-M303 HydrophobicContact CG2-CG 3.61Å; I119-A306 HydrophobicContact CB-CB 4.06Å; I119-A306 HydrophobicContact CD1-CB 4.12Å; I119-A306 HydrophobicContact CG2-CB 3.98Å; I119-A307 HydrophobicContact CG2-CB 4.45Å; I119-I348 HydrophobicContact CG2-CD1 4.3Å
120	N	98.1	Very high	97.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	34.1	-173.5	-167	11.8	0	0	0	113.1	D118 G122 G254 A307 A310 R314 S345 N347 I348	D118-N120 PolarHBondContact O-N 3.18Å; N120-G122 PolarHBondContact O-N 2.88Å; N120-G254 WeakPolarHBondContact O-CA 3.5Å; N120-A307 HydrophobicContact CB-CB 3.79Å; N120-A307 PolarHBondContact ND2-O 3.11Å; N120-A310 HydrophobicContact CB-CB 3.68Å; N120-A310 WeakPolarHBondContact O-CB 3.38Å; N120-R314 PolarHBondContact O-NH1 3.47Å; N120-R314 PolarHBondContact OD1-NH2 3.2Å; N120-S345 VanDerWaalsContact OD1-CB 3.23Å; N120-S345 WeakPolarHBondContact OD1-CB 3.17Å; N120-S345 PolarHBondContact OD1-OG 2.83Å; N120-N347 WeakPolarHBondContact CA-O 3.35Å; N120-N347 PolarHBondContact N-O 2.89Å; N120-I348 HydrophobicContact CB-CD1 4.28Å
121	C	97.2	Very high	97.7	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.02	7%	0.067	C	C	.	.			trans	-52	126.2	153.5	-161.8	0	0	0	0	107.3	D118 I119 H220 H252 H346 N347	D118-C121 HydrophobicContact CB-CB 4.03Å; D118-C121 VanDerWaalsContact O-CB 3.29Å; D118-C121 WeakPolarHBondContact O-CB 3.31Å; D118-C121 PolarHBondContact O-N 3.21Å; I119-C121 PolarHBondContact O-N 3.37Å; I119-C121 VanDerWaalsContact O-N 3.15Å; C121-H220 PolarHBondContact SG-NE2 3.32Å; C121-H252 PolarHBondContact SG-NE2 3.49Å; C121-H346 PolarHBondContact O-CD2 3.03Å; C121-H346 PolarHBondContact O-N 3.04Å; C121-H346 PolarHBondContact O-NE2 3.37Å; C121-H346 PolarHBondContact SG-CE1 2.67Å; C121-N347 HydrophobicContact CB-CB 4.26Å; C121-N347 WeakPolarHBondContact CB-ND2 3.33Å; C121-N347 PolarHBondContact O-N 3.44Å
122	G	97.7	Very high	97.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	163.2	-164.7	0	0	0	0	0	112.2	N120 H252 C253 V344 H346	N120-G122 PolarHBondContact O-N 2.88Å; G122-H252 WeakPolarHBondContact O-CA 3.47Å; G122-H252 PolarHBondContact O-CD2 2.81Å; G122-C253 PolarHBondContact N-O 3.49Å; G122-C253 PolarHBondContact O-N 2.97Å; G122-C253 VanDerWaalsContact O-O 3.09Å; G122-V344 CarbonylContact C-O 3.53Å; G122-V344 WeakPolarHBondContact CA-O 3.47Å; G122-H346 VanDerWaalsContact CA-CD2 3.41Å; G122-H346 WeakPolarHBondContact CA-CD2 3.38Å; G122-H346 WeakPolarHBondContact CA-NE2 3.41Å; G122-H346 PolarHBondContact N-NE2 3.27Å
123	V	97.8	Very high	97.7	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.2	179	-175.8	0	0	0	0	108.9	M250 V251 H252 D343 V344 L393	V123-M250 HydrophobicContact CG1-CE 4.23Å; V123-M250 HydrophobicContact CG1-CG 3.51Å; V123-M250 HydrophobicContact CG1-SD 3.63Å; V123-V251 CarbonylContact C-O 3.57Å; V123-V251 WeakPolarHBondContact CA-O 3.25Å; V123-H252 HydrophobicContact CG2-CB 4.31Å; V123-D343 WeakPolarHBondContact O-CA 3.41Å; V123-V344 PolarHBondContact N-O 2.84Å; V123-V344 PolarHBondContact O-N 2.81Å; V123-L393 HydrophobicContact CB-CB 3.93Å; V123-L393 HydrophobicContact CB-CD1 4.41Å; V123-L393 HydrophobicContact CG1-CB 3.7Å; V123-L393 HydrophobicContact CG1-CD1 4.08Å; V123-L393 WeakPolarHBondContact O-CD1 3.36Å
124	R	98.3	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.4	175.5	-177.4	175.5	-79	-141.1	-8.8	109.1	M175 M250 V251 T318 L340 Y342 D343	R124-M175 PolarHBondContact NH2-SD 3.16Å; R124-M250 CarbonylContact O-C 3.6Å; R124-M250 WeakPolarHBondContact O-CA 3.32Å; R124-V251 HydrophobicContact CB-CB 4.35Å; R124-V251 PolarHBondContact N-O 2.65Å; R124-V251 PolarHBondContact O-N 3.47Å; R124-T318 WeakPolarHBondContact CD-OG1 3.38Å; R124-T318 PolarHBondContact NH1-OG1 2.82Å; R124-T318 VanDerWaalsContact NH1-OG1 3.11Å; R124-L340 HydrophobicContact CG-CD1 3.25Å; R124-Y342 WeakPolarHBondContact CA-O 3.49Å; R124-D343 HydrophobicContact CB-CB 4.31Å; R124-D343 HydrophobicContact CG-CB 4.18Å; R124-D343 IonicContact CZ-OD2 3Å; R124-D343 IonicContact NE-OD2 3.2Å; R124-D343 PolarHBondContact NE-OD2 3.18Å; R124-D343 IonicContact NH2-OD2 3.98Å; R124-D343 PolarHBondContact NH2-OD2 3.46Å
125	L	98.7	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.3	179.1	-176.6	67.7	0	0	0	111.3	C248 V249 M250 L340 I341 Y342 L393 V404 L490	L125-C248 HydrophobicContact CD1-CB 3.81Å; L125-V249 CarbonylContact C-O 3.45Å; L125-V249 WeakPolarHBondContact CA-O 3.42Å; L125-M250 HydrophobicContact CD1-CB 3.99Å; L125-M250 HydrophobicContact CD1-CE 4Å; L125-L340 WeakPolarHBondContact O-CD1 3.29Å; L125-I341 HydrophobicContact CB-CB 4.45Å; L125-I341 HydrophobicContact CD2-CB 4.46Å; L125-I341 HydrophobicContact CD2-CD1 3.73Å; L125-I341 HydrophobicContact CG-CB 4.49Å; L125-I341 HydrophobicContact CG-CD1 4.06Å; L125-I341 WeakPolarHBondContact O-CB 3.2Å; L125-I341 PolarHBondContact O-N 3.31Å; L125-Y342 PolarHBondContact N-O 3.26Å; L125-L393 HydrophobicContact CB-CD1 3.66Å; L125-L393 HydrophobicContact CB-CD2 3.81Å; L125-L393 HydrophobicContact CB-CG 4.38Å; L125-L393 HydrophobicContact CD2-CD2 3.87Å; L125-V404 HydrophobicContact CD2-CG2 3.43Å; L125-V404 VanDerWaalsContact CD2-CG2 3.43Å; L125-L490 HydrophobicContact CD1-CD1 4Å; L125-L490 HydrophobicContact CD2-CD1 3.91Å
126	L	98.7	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.7	172.6	-62.8	113.4	0	0	0	110.4	C248 V249 T318 M338 H339	L126-C248 CarbonylContact O-C 3.5Å; L126-C248 WeakPolarHBondContact O-CA 3.38Å; L126-C248 VanDerWaalsContact O-CB 3.25Å; L126-C248 WeakPolarHBondContact O-CB 3.45Å; L126-V249 HydrophobicContact CB-CB 4.25Å; L126-V249 HydrophobicContact CD1-CB 4.24Å; L126-V249 PolarHBondContact N-O 3.33Å; L126-V249 PolarHBondContact O-N 3.25Å; L126-T318 HydrophobicContact CD1-CG2 4.23Å; L126-T318 HydrophobicContact CD2-CG2 3.47Å; L126-T318 VanDerWaalsContact CD2-CG2 3.47Å; L126-T318 HydrophobicContact CG-CG2 4.36Å; L126-M338 WeakPolarHBondContact CD2-O 3.42Å; L126-H339 WeakPolarHBondContact CA-O 3.32Å
127	R	98.3	Very high	97.8	Very high	47 Å²	47	34 Å²	34	18%	0.177	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	166.8	166.3	70.4	-171.3	-168.5	90.8	10.9	110.4	M239 G240 I241 D337 M338 H339 I341	R127-M239 VanDerWaalsContact CD-O 3.24Å; R127-M239 WeakPolarHBondContact CD-O 3.39Å; R127-G240 PolarHBondContact NH1-O 3.32Å; R127-I241 HydrophobicContact CB-CD1 3.91Å; R127-D337 VanDerWaalsContact CZ-CG 3.5Å; R127-D337 IonicContact CZ-OD1 2.66Å; R127-D337 IonicContact CZ-OD2 3.67Å; R127-D337 IonicContact NH1-OD1 2.98Å; R127-D337 IonicContact NH1-OD2 3.12Å; R127-D337 PolarHBondContact NH1-OD2 3.27Å; R127-D337 IonicContact NH2-OD1 3.09Å; R127-D337 PolarHBondContact NH2-OD1 3.09Å; R127-D337 IonicContact NH2-OD2 3.98Å; R127-D337 PolarHBondContact NH2-OD2 3.29Å; R127-M338 VanDerWaalsContact O-CA 3.29Å; R127-M338 WeakPolarHBondContact O-CA 3.29Å; R127-H339 HydrophobicContact CG-CB 4.4Å; R127-H339 PolarHBondContact N-O 3.41Å; R127-I341 HydrophobicContact CB-CD1 4.05Å; R127-I341 HydrophobicContact CB-CG1 4.13Å
128	T	98.6	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	168.7	165	76.5	0	0	0	0	108.9	L130 Q246 V247 F325 L336 M338	T128-L130 VanDerWaalsContact C-N 3.27Å; T128-L130 WeakPolarHBondContact OG1-CB 3.5Å; T128-L130 PolarHBondContact OG1-N 3.32Å; T128-Q246 WeakPolarHBondContact O-CG 3.47Å; T128-Q246 PolarHBondContact O-NE2 3.29Å; T128-V247 PolarHBondContact N-O 2.84Å; T128-V247 VanDerWaalsContact N-O 3.15Å; T128-V247 PolarHBondContact OG1-O 3.33Å; T128-V247 VanDerWaalsContact OG1-O 3.09Å; T128-F325 HydrophobicContact CG2-CE1 4.22Å; T128-L336 CarbonylContact C-O 3.56Å; T128-L336 VanDerWaalsContact CA-O 3.26Å; T128-L336 WeakPolarHBondContact CA-O 3.36Å; T128-L336 WeakPolarHBondContact CB-O 3.49Å; T128-M338 HydrophobicContact CG2-CE 4.39Å; T128-M338 HydrophobicContact CG2-CG 4.11Å
129	N	98.1	Very high	98.1	Very high	78 Å²	78	33 Å²	33	42%	0.417	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	6.6	167.8	63.5	2.2	0	0	0	113.3	D335 L336 D337	N129-D335 PolarHBondContact ND2-O 3.22Å; N129-L336 PolarHBondContact N-O 3.15Å; N129-L336 WeakPolarHBondContact OD1-CA 3.5Å; N129-L336 PolarHBondContact OD1-O 2.92Å; N129-D337 HydrophobicContact CB-CB 3.74Å
130	L	98.4	Very high	98.1	Very high	14 Å²	14	37.1 Å²	37.1	7%	0.073	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	148.3	-179.7	-60.3	171.7	0	0	0	111.3	T128 D134 V135 Q246 V247 F325 F329 L336	T128-L130 VanDerWaalsContact C-N 3.27Å; T128-L130 WeakPolarHBondContact OG1-CB 3.5Å; T128-L130 PolarHBondContact OG1-N 3.32Å; L130-D134 HydrophobicContact CD2-CB 4.15Å; L130-V135 HydrophobicContact CB-CG2 4.44Å; L130-V135 HydrophobicContact CD1-CG2 4.24Å; L130-Q246 WeakPolarHBondContact O-CA 3.17Å; L130-V247 HydrophobicContact CB-CB 4.23Å; L130-V247 HydrophobicContact CB-CG2 4.39Å; L130-V247 PolarHBondContact O-N 3.17Å; L130-F325 HydrophobicContact CD1-CD1 4.1Å; L130-F325 HydrophobicContact CD1-CE1 4.1Å; L130-F329 HydrophobicContact CD1-CD1 4.36Å; L130-F329 HydrophobicContact CD1-CD2 3.92Å; L130-F329 HydrophobicContact CD1-CE1 3.98Å; L130-F329 HydrophobicContact CD1-CE2 3.5Å; L130-F329 HydrophobicContact CD1-CG 4.35Å; L130-F329 HydrophobicContact CD1-CZ 3.55Å; L130-F329 HydrophobicContact CD2-CD1 4.31Å; L130-F329 HydrophobicContact CD2-CE1 4.2Å; L130-L336 HydrophobicContact CD1-CD2 4.08Å; L130-L336 HydrophobicContact CD2-CD2 3.9Å; L130-L336 HydrophobicContact CG-CD2 4.05Å
131	N	98.5	Very high	98.1	Very high	39 Å²	39	42 Å²	42	21%	0.209	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	161.6	167.4	-81.2	-93.3	0	0	0	111.2	K133 D134 V135 H243 G245	N131-K133 HydrophobicContact CB-CG 3.96Å; N131-K133 PolarHBondContact O-N 2.96Å; N131-K133 VanDerWaalsContact O-N 3.17Å; N131-D134 WeakPolarHBondContact CA-OD2 3.32Å; N131-D134 WeakPolarHBondContact CB-OD2 3.29Å; N131-D134 PolarHBondContact N-OD2 2.85Å; N131-D134 WeakPolarHBondContact O-CB 3.39Å; N131-D134 PolarHBondContact O-N 3.31Å; N131-V135 PolarHBondContact O-N 3.15Å; N131-H243 PolarHBondContact ND2-NE2 3.29Å; N131-H243 PolarHBondContact OD1-CD2 3.24Å; N131-H243 VanDerWaalsContact OD1-CD2 3.31Å; N131-H243 PolarHBondContact OD1-NE2 3.22Å; N131-G245 CarbonylContact C-O 3.59Å; N131-G245 WeakPolarHBondContact CA-O 3.31Å
132	E	98.3	Very high	98.1	Very high	43 Å²	43	41.8 Å²	41.8	20%	0.201	21%	0.21	C	C	.	.	H	α-helix	trans	-51.9	-41.5	176.4	177.6	173.4	-146.2	0	0	112.4	D134 V135 L136 V226 G245 R491	E132-D134 PolarHBondContact O-N 3.25Å; E132-D134 VanDerWaalsContact O-N 3.14Å; E132-V135 PolarHBondContact O-N 2.63Å; E132-L136 HydrophobicContact CG-CD1 3.81Å; E132-L136 HydrophobicContact CG-CD2 4.26Å; E132-L136 HydrophobicContact CG-CG 3.74Å; E132-L136 WeakPolarHBondContact O-CG 3.17Å; E132-L136 PolarHBondContact O-N 2.92Å; E132-V226 HydrophobicContact CB-CG1 4.1Å; E132-V226 HydrophobicContact CB-CG2 3.91Å; E132-V226 HydrophobicContact CG-CG2 4.05Å; E132-G245 PolarHBondContact N-O 3.17Å; E132-R491 IonicContact OE1-CZ 3.17Å; E132-R491 IonicContact OE1-NH1 3.75Å; E132-R491 PolarHBondContact OE1-NH1 2.87Å; E132-R491 IonicContact OE1-NH2 2.71Å; E132-R491 PolarHBondContact OE1-NH2 3.38Å; E132-R491 IonicContact OE2-CZ 3.74Å; E132-R491 IonicContact OE2-NH2 2.67Å; E132-R491 PolarHBondContact OE2-NH2 2.82Å
133	K	98.1	Very high	98.1	Very high	153 Å²	153	41.8 Å²	41.8	67%	0.665	21%	0.21	S	C	*	.	H	α-helix	trans	-57.9	-27	177.6	68.3	-178.5	-178.6	177.4	0	113.5	N131 P137	N131-K133 HydrophobicContact CB-CG 3.96Å; N131-K133 PolarHBondContact O-N 2.96Å; N131-K133 VanDerWaalsContact O-N 3.17Å; K133-P137 VanDerWaalsContact O-CD 3.29Å; K133-P137 WeakPolarHBondContact O-CD 3.16Å
134	D	98.1	Very high	98	Very high	63 Å²	63	45 Å²	45	34%	0.337	23%	0.225	S	C	.	.	H	α-helix	trans	-82.3	-30.2	-179.5	-50.1	-44.2	0	0	0	110.7	L130 N131 E132	L130-D134 HydrophobicContact CD2-CB 4.15Å; N131-D134 WeakPolarHBondContact CA-OD2 3.32Å; N131-D134 WeakPolarHBondContact CB-OD2 3.29Å; N131-D134 PolarHBondContact N-OD2 2.85Å; N131-D134 WeakPolarHBondContact O-CB 3.39Å; N131-D134 PolarHBondContact O-N 3.31Å; E132-D134 PolarHBondContact O-N 3.25Å; E132-D134 VanDerWaalsContact O-N 3.14Å
135	V	98.2	Very high	97.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-88.4	-35.5	-179.6	178.7	0	0	0	0	112.5	L130 N131 E132 P137 V138 K139 L142 V247 F329 I493	L130-V135 HydrophobicContact CB-CG2 4.44Å; L130-V135 HydrophobicContact CD1-CG2 4.24Å; N131-V135 PolarHBondContact O-N 3.15Å; E132-V135 PolarHBondContact O-N 2.63Å; V135-P137 VanDerWaalsContact C-CD 3.42Å; V135-P137 VanDerWaalsContact C-N 3.33Å; V135-V138 CarbonylContact O-C 3.5Å; V135-V138 WeakPolarHBondContact O-CG2 3.29Å; V135-V138 PolarHBondContact O-N 2.93Å; V135-K139 WeakPolarHBondContact O-CA 3.31Å; V135-K139 PolarHBondContact O-N 2.81Å; V135-L142 HydrophobicContact CG1-CD2 3.73Å; V135-V247 HydrophobicContact CB-CG2 4.45Å; V135-V247 HydrophobicContact CG2-CB 4.36Å; V135-V247 HydrophobicContact CG2-CG1 4.12Å; V135-V247 HydrophobicContact CG2-CG2 3.69Å; V135-F329 HydrophobicContact CG2-CZ 3.96Å; V135-I493 HydrophobicContact CB-CD1 4.25Å; V135-I493 HydrophobicContact CG1-CD1 3.76Å
136	L	97.4	Very high	97.7	Very high	85 Å²	85	45.3 Å²	45.3	45%	0.445	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-49.8	-43.8	-175.4	-78.9	174.8	0	0	0	114.3	E132 V138 K139	E132-L136 HydrophobicContact CG-CD1 3.81Å; E132-L136 HydrophobicContact CG-CD2 4.26Å; E132-L136 HydrophobicContact CG-CG 3.74Å; E132-L136 WeakPolarHBondContact O-CG 3.17Å; E132-L136 PolarHBondContact O-N 2.92Å; L136-V138 VanDerWaalsContact C-N 3.27Å; L136-V138 PolarHBondContact O-N 2.85Å; L136-K139 HydrophobicContact CD2-CD 4.5Å
137	P	98	Very high	97.5	Very high	96 Å²	96	47.6 Å²	47.6	62%	0.623	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-67	-25.8	179.5	-21.4	34.6	0	0	0	114.2	K133 V135	K133-P137 VanDerWaalsContact O-CD 3.29Å; K133-P137 WeakPolarHBondContact O-CD 3.16Å; V135-P137 VanDerWaalsContact C-CD 3.42Å; V135-P137 VanDerWaalsContact C-N 3.33Å
138	V	98	Very high	97.2	Very high	38 Å²	38	49.7 Å²	49.7	23%	0.23	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-113.7	10.3	-175.5	-62.8	0	0	0	0	113.1	V135 L136 E140 Q141 L142 I328 F329	V135-V138 CarbonylContact O-C 3.5Å; V135-V138 WeakPolarHBondContact O-CG2 3.29Å; V135-V138 PolarHBondContact O-N 2.93Å; L136-V138 VanDerWaalsContact C-N 3.27Å; L136-V138 PolarHBondContact O-N 2.85Å; V138-E140 PolarHBondContact O-N 2.92Å; V138-Q141 PolarHBondContact O-N 3.36Å; V138-Q141 VanDerWaalsContact O-N 3.14Å; V138-Q141 PolarHBondContact O-OE1 3.32Å; V138-L142 WeakPolarHBondContact O-CB 3.19Å; V138-L142 PolarHBondContact O-N 3.28Å; V138-I328 HydrophobicContact CB-CG2 3.85Å; V138-I328 HydrophobicContact CG1-CG2 4.44Å; V138-I328 HydrophobicContact CG2-CG2 3.77Å; V138-F329 HydrophobicContact CG2-CE1 4.02Å; V138-F329 HydrophobicContact CG2-CZ 3.76Å
139	K	97.8	Very high	96.8	Very high	32 Å²	32	51.6 Å²	51.6	14%	0.139	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-44	-169.9	-176.4	-175.7	70.5	-178.5	0	112.9	V135 L136 L142 A143 G449 I493 A494	V135-K139 WeakPolarHBondContact O-CA 3.31Å; V135-K139 PolarHBondContact O-N 2.81Å; L136-K139 HydrophobicContact CD2-CD 4.5Å; K139-L142 PolarHBondContact O-N 3.09Å; K139-A143 WeakPolarHBondContact O-CB 3.34Å; K139-A143 PolarHBondContact O-N 3.24Å; K139-G449 PolarHBondContact NZ-O 2.85Å; K139-I493 HydrophobicContact CD-CB 4.42Å; K139-I493 WeakPolarHBondContact CD-O 3.49Å; K139-A494 HydrophobicContact CG-CB 4.45Å
140	E	97.7	Very high	96.4	Very high	85 Å²	85	48 Å²	48	40%	0.397	24%	0.241	S	C	.	.	H	α-helix	trans	-68.8	-38.5	179.4	-67.3	-56.2	139	0	0	112.1	V138 Q144 S451 R453	V138-E140 PolarHBondContact O-N 2.92Å; E140-Q144 WeakPolarHBondContact O-CB 3.18Å; E140-Q144 PolarHBondContact O-N 3.48Å; E140-S451 WeakPolarHBondContact OE1-CB 3.34Å; E140-S451 PolarHBondContact OE1-OG 2.96Å; E140-S451 PolarHBondContact OE2-OG 3.02Å; E140-R453 PolarHBondContact O-NH2 3.38Å; E140-R453 VanDerWaalsContact O-NH2 3.08Å; E140-R453 IonicContact OE2-CZ 2.83Å; E140-R453 IonicContact OE2-NH1 2.76Å; E140-R453 PolarHBondContact OE2-NH1 3.29Å; E140-R453 IonicContact OE2-NH2 3.37Å; E140-R453 PolarHBondContact OE2-NH2 2.92Å
141	Q	97.9	Very high	95.6	Very high	102 Å²	102	48.2 Å²	48.2	48%	0.477	24%	0.243	S	C	.	.	H	α-helix	trans	-68.8	-38.5	176.1	-59.7	87.8	-23.5	0	0	110.8	V138 Q144 S145 I328	V138-Q141 PolarHBondContact O-N 3.36Å; V138-Q141 VanDerWaalsContact O-N 3.14Å; V138-Q141 PolarHBondContact O-OE1 3.32Å; Q141-Q144 PolarHBondContact O-N 3.17Å; Q141-S145 VanDerWaalsContact O-CB 3.27Å; Q141-S145 WeakPolarHBondContact O-CB 3.42Å; Q141-S145 PolarHBondContact O-N 3.11Å; Q141-I328 HydrophobicContact CB-CD1 3.85Å
142	L	98	Very high	94.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67	-45.9	176.7	-177.5	61.7	0	0	0	111.8	V135 V138 K139 Q144 S145 L146 V224 F325 I328 F329	V135-L142 HydrophobicContact CG1-CD2 3.73Å; V138-L142 WeakPolarHBondContact O-CB 3.19Å; V138-L142 PolarHBondContact O-N 3.28Å; K139-L142 PolarHBondContact O-N 3.09Å; L142-Q144 VanDerWaalsContact C-N 3.28Å; L142-Q144 PolarHBondContact O-N 3.25Å; L142-S145 PolarHBondContact O-N 3.39Å; L142-L146 HydrophobicContact CG-CD1 4.28Å; L142-L146 WeakPolarHBondContact O-CG 3.28Å; L142-L146 PolarHBondContact O-N 3.16Å; L142-V224 HydrophobicContact CD2-CG1 4.39Å; L142-V224 HydrophobicContact CD2-CG2 4.09Å; L142-V224 HydrophobicContact CG-CG2 4.47Å; L142-F325 HydrophobicContact CD1-CD1 4.38Å; L142-F325 HydrophobicContact CD1-CD2 3.79Å; L142-F325 HydrophobicContact CD1-CE1 4.43Å; L142-F325 HydrophobicContact CD1-CE2 3.86Å; L142-F325 HydrophobicContact CD1-CG 4.08Å; L142-F325 HydrophobicContact CD1-CZ 4.19Å; L142-F325 HydrophobicContact CD2-CE1 3.98Å; L142-F325 HydrophobicContact CD2-CE2 4.18Å; L142-F325 HydrophobicContact CD2-CZ 3.74Å; L142-F325 HydrophobicContact CG-CE2 4.38Å; L142-F325 HydrophobicContact CG-CZ 4.42Å; L142-I328 HydrophobicContact CB-CG2 4.44Å; L142-I328 HydrophobicContact CD1-CB 4.29Å; L142-I328 HydrophobicContact CD1-CG1 4.11Å; L142-I328 HydrophobicContact CD1-CG2 4.5Å; L142-F329 HydrophobicContact CD2-CE2 4.41Å
143	A	96.9	Very high	92.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.6	-43.6	174.5	0	0	0	0	0	111.3	K139 F147 S451 R453 A494 I496	K139-A143 WeakPolarHBondContact O-CB 3.34Å; K139-A143 PolarHBondContact O-N 3.24Å; A143-F147 WeakPolarHBondContact O-CB 3.25Å; A143-F147 PolarHBondContact O-N 3.45Å; A143-S451 WeakPolarHBondContact CB-OG 3.29Å; A143-R453 HydrophobicContact CB-CG 4.21Å; A143-A494 HydrophobicContact CB-CB 4Å; A143-I496 WeakPolarHBondContact O-CG2 3.33Å
144	Q	96.2	Very high	90.6	Very high	68 Å²	68	44.5 Å²	44.5	32%	0.318	24%	0.239	S	C	.	.	H	α-helix	trans	-65.9	-44.4	175.7	-170	60.5	49.7	0	0	111.8	E140 Q141 L142 L146 F147 D148	E140-Q144 WeakPolarHBondContact O-CB 3.18Å; E140-Q144 PolarHBondContact O-N 3.48Å; Q141-Q144 PolarHBondContact O-N 3.17Å; L142-Q144 VanDerWaalsContact C-N 3.28Å; L142-Q144 PolarHBondContact O-N 3.25Å; Q144-L146 VanDerWaalsContact C-N 3.32Å; Q144-L146 PolarHBondContact O-N 3.35Å; Q144-F147 WeakPolarHBondContact O-CB 3.08Å; Q144-F147 PolarHBondContact O-N 2.8Å; Q144-F147 VanDerWaalsContact O-N 3.1Å; Q144-D148 PolarHBondContact NE2-OD1 3.38Å; Q144-D148 PolarHBondContact O-N 2.81Å
145	S	95.9	Very high	88.6	Confident	3 Å²	3	45 Å²	45	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-43.8	178.7	-169.7	0	0	0	0	111.2	Q141 L142 D148 H149 A324	Q141-S145 VanDerWaalsContact O-CB 3.27Å; Q141-S145 WeakPolarHBondContact O-CB 3.42Å; Q141-S145 PolarHBondContact O-N 3.11Å; L142-S145 PolarHBondContact O-N 3.39Å; S145-D148 PolarHBondContact O-N 3.4Å; S145-H149 PolarHBondContact O-N 2.99Å; S145-H149 PolarHBondContact O-ND1 3.03Å; S145-A324 WeakPolarHBondContact OG-CA 3.43Å; S145-A324 PolarHBondContact OG-O 3.31Å; S145-A324 VanDerWaalsContact OG-O 3.12Å
146	L	95.6	Very high	86.7	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-44.1	174.3	-75	166.4	0	0	0	111.7	L142 Q144 D148 H149 I150 V224 A321 A324 F325 I496	L142-L146 HydrophobicContact CG-CD1 4.28Å; L142-L146 WeakPolarHBondContact O-CG 3.28Å; L142-L146 PolarHBondContact O-N 3.16Å; Q144-L146 VanDerWaalsContact C-N 3.32Å; Q144-L146 PolarHBondContact O-N 3.35Å; L146-D148 VanDerWaalsContact C-N 3.3Å; L146-D148 PolarHBondContact O-N 3.2Å; L146-H149 PolarHBondContact O-N 2.9Å; L146-I150 HydrophobicContact CD2-CD1 4.12Å; L146-I150 WeakPolarHBondContact O-CB 3.3Å; L146-I150 PolarHBondContact O-N 2.72Å; L146-V224 HydrophobicContact CD1-CG2 3.44Å; L146-V224 VanDerWaalsContact CD1-CG2 3.44Å; L146-A321 HydrophobicContact CD2-CB 4.03Å; L146-A324 HydrophobicContact CD2-CB 3.69Å; L146-A324 HydrophobicContact CG-CB 4.01Å; L146-F325 HydrophobicContact CD1-CE2 4.26Å; L146-F325 HydrophobicContact CD2-CD2 4.4Å; L146-F325 HydrophobicContact CD2-CE2 4.26Å; L146-I496 HydrophobicContact CB-CD1 4.15Å; L146-I496 HydrophobicContact CB-CG2 3.95Å
147	F	93.4	Very high	84.9	Confident	49 Å²	49	49.7 Å²	49.7	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-34.5	178.8	-169.9	-96	0	0	0	112.8	A143 Q144 V152 R453 I496	A143-F147 WeakPolarHBondContact O-CB 3.25Å; A143-F147 PolarHBondContact O-N 3.45Å; Q144-F147 WeakPolarHBondContact O-CB 3.08Å; Q144-F147 PolarHBondContact O-N 2.8Å; Q144-F147 VanDerWaalsContact O-N 3.1Å; F147-V152 HydrophobicContact CD2-CG1 4.3Å; F147-V152 HydrophobicContact CD2-CG2 3.87Å; F147-V152 HydrophobicContact CE1-CG2 4.34Å; F147-V152 HydrophobicContact CE2-CB 4.35Å; F147-V152 HydrophobicContact CE2-CG1 4.35Å; F147-V152 HydrophobicContact CE2-CG2 3.22Å; F147-V152 HydrophobicContact CZ-CG2 3.48Å; F147-V152 VanDerWaalsContact CZ-CG2 3.48Å; F147-R453 HydrophobicContact CB-CB 3.92Å; F147-R453 HydrophobicContact CB-CG 4.15Å; F147-R453 HydrophobicContact CD2-CB 3.37Å; F147-R453 HydrophobicContact CD2-CG 4.44Å; F147-R453 HydrophobicContact CE2-CB 3.89Å; F147-R453 HydrophobicContact CG-CB 3.73Å; F147-R453 HydrophobicContact CG-CG 4.36Å; F147-I496 HydrophobicContact CB-CG2 3.98Å; F147-I496 HydrophobicContact CD2-CB 4.29Å; F147-I496 HydrophobicContact CD2-CG2 4.37Å
148	D	91.4	Very high	83.1	Confident	90 Å²	90	46 Å²	46	48%	0.481	26%	0.258	S	S	.	.	H	α-helix	trans	-73.8	-36	177.5	-63.6	-16.9	0	0	0	112	Q144 S145 L146	Q144-D148 PolarHBondContact NE2-OD1 3.38Å; Q144-D148 PolarHBondContact O-N 2.81Å; S145-D148 PolarHBondContact O-N 3.4Å; L146-D148 VanDerWaalsContact C-N 3.3Å; L146-D148 PolarHBondContact O-N 3.2Å
149	H	91.2	Very high	81.8	Confident	40 Å²	40	48.4 Å²	48.4	19%	0.185	27%	0.269	C	S	.	.	H	α-helix	trans	-86.4	-27.8	-178.5	-71.8	85.3	0	0	0	113.8	S145 L146 P151 C320 A324	S145-H149 PolarHBondContact O-N 2.99Å; S145-H149 PolarHBondContact O-ND1 3.03Å; L146-H149 PolarHBondContact O-N 2.9Å; H149-P151 VanDerWaalsContact O-CD 3.23Å; H149-P151 WeakPolarHBondContact O-CD 3.48Å; H149-C320 HydrophobicContact CB-CB 4.2Å; H149-C320 PolarHBondContact O-SG 2.97Å; H149-A324 HydrophobicContact CB-CB 4.3Å
150	I	90	Very high	80.9	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	27%	0.266	C	S	.	.	S	Bend	trans	-109.3	98.9	-178.9	-59.8	169.2	0	0	0	108.5	L146 V152 L215 M317 C320 A321 I496	L146-I150 HydrophobicContact CD2-CD1 4.12Å; L146-I150 WeakPolarHBondContact O-CB 3.3Å; L146-I150 PolarHBondContact O-N 2.72Å; I150-V152 WeakPolarHBondContact O-CG1 3.36Å; I150-V152 PolarHBondContact O-N 3.38Å; I150-L215 HydrophobicContact CG2-CD1 3.88Å; I150-L215 HydrophobicContact CG2-CG 3.77Å; I150-M317 HydrophobicContact CG2-CG 4.02Å; I150-M317 HydrophobicContact CG2-SD 4.09Å; I150-C320 HydrophobicContact CD1-CB 4.45Å; I150-C320 HydrophobicContact CG1-CB 3.57Å; I150-A321 HydrophobicContact CD1-CB 4.35Å; I150-I496 HydrophobicContact CB-CD1 3.77Å; I150-I496 HydrophobicContact CD1-CD1 3.83Å; I150-I496 HydrophobicContact CG1-CD1 4.34Å; I150-I496 HydrophobicContact CG2-CD1 4.04Å
151	P	80.3	Confident	80	Confident	18 Å²	18	48.1 Å²	48.1	12%	0.117	28%	0.277	C	S	.	.			trans	-53.6	126.6	176.1	-31.2	36	0	0	0	113	H149 K157 I159 G213 T214 L215	H149-P151 VanDerWaalsContact O-CD 3.23Å; H149-P151 WeakPolarHBondContact O-CD 3.48Å; P151-K157 VanDerWaalsContact CG-O 3.23Å; P151-K157 WeakPolarHBondContact CG-O 3.47Å; P151-I159 HydrophobicContact CG-CG2 4.42Å; P151-G213 WeakPolarHBondContact CD-O 3.4Å; P151-T214 HydrophobicContact CB-CG2 4.17Å; P151-T214 VanDerWaalsContact O-CA 3.3Å; P151-T214 WeakPolarHBondContact O-CA 3.29Å; P151-L215 PolarHBondContact O-N 3.41Å
152	V	75.4	Confident	79.1	Confident	20 Å²	20	45.2 Å²	45.2	12%	0.121	26%	0.264	C	S	.	.			trans	-114	151.7	-179.9	-63.3	0	0	0	0	112.1	F147 I150 S156 L215 A455	F147-V152 HydrophobicContact CD2-CG1 4.3Å; F147-V152 HydrophobicContact CD2-CG2 3.87Å; F147-V152 HydrophobicContact CE1-CG2 4.34Å; F147-V152 HydrophobicContact CE2-CB 4.35Å; F147-V152 HydrophobicContact CE2-CG1 4.35Å; F147-V152 HydrophobicContact CE2-CG2 3.22Å; F147-V152 HydrophobicContact CZ-CG2 3.48Å; F147-V152 VanDerWaalsContact CZ-CG2 3.48Å; I150-V152 WeakPolarHBondContact O-CG1 3.36Å; I150-V152 PolarHBondContact O-N 3.38Å; V152-S156 VanDerWaalsContact O-CB 3.28Å; V152-S156 WeakPolarHBondContact O-CB 3.41Å; V152-S156 PolarHBondContact O-OG 3.45Å; V152-L215 HydrophobicContact CG1-CB 4.22Å; V152-L215 HydrophobicContact CG1-CD1 3.65Å; V152-L215 HydrophobicContact CG1-CG 4.42Å; V152-A455 HydrophobicContact CB-CB 4.48Å; V152-A455 HydrophobicContact CG2-CB 3.8Å
153	G	58.9	Low	78.6	Confident	8 Å²	8	49.4 Å²	49.4	8%	0.082	29%	0.286	C	S	.	.	S	Bend	trans	98.5	170.2	174.3	0	0	0	0	0	115.3	G155 S156 G216 G498	G153-G155 PolarHBondContact O-N 3.47Å; G153-S156 PolarHBondContact O-OG 2.63Å; G153-G216 WeakPolarHBondContact CA-O 3.16Å; G153-G216 PolarHBondContact N-O 2.91Å; G153-G216 VanDerWaalsContact N-O 3.12Å; G153-G498 VanDerWaalsContact CA-OXT 3.31Å; G153-G498 WeakPolarHBondContact CA-OXT 3.27Å
154	V	57	Low	78.1	Confident	128 Å²	128	53.1 Å²	53.1	78%	0.776	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	119.7	179.9	-177	0	0	0	0	109.6	A217	V154-A217 HydrophobicContact CG2-CB 3.76Å
155	G	55.6	Low	77.8	Confident	73 Å²	73	57.7 Å²	57.7	75%	0.753	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	5.5	176.9	0	0	0	0	0	115.4	G153	G153-G155 PolarHBondContact O-N 3.47Å
156	S	58.3	Low	77.6	Confident	32 Å²	32	59 Å²	59	22%	0.224	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-61.4	145.1	173	61.8	0	0	0	0	111.2	V152 G153 T214	V152-S156 VanDerWaalsContact O-CB 3.28Å; V152-S156 WeakPolarHBondContact O-CB 3.41Å; V152-S156 PolarHBondContact O-OG 3.45Å; G153-S156 PolarHBondContact O-OG 2.63Å; S156-T214 WeakPolarHBondContact O-CG2 3.32Å
157	K	58.8	Low	77.3	Confident	154 Å²	154	59 Å²	59	67%	0.67	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-96.6	129.2	-179.8	-62	-178.8	-179.1	174.9	0	110.1	P151 K211	P151-K157 VanDerWaalsContact CG-O 3.23Å; P151-K157 WeakPolarHBondContact CG-O 3.47Å; K157-K211 HydrophobicContact CB-CD 4.02Å; K157-K211 HydrophobicContact CG-CD 4.03Å
158	G	61.3	Low	77.3	Confident	17 Å²	17	61.4 Å²	61.4	18%	0.175	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-54.6	150	170.3	0	0	0	0	0	113.5	I160 L212	G158-I160 VanDerWaalsContact C-N 3.31Å; G158-L212 WeakPolarHBondContact CA-O 3.37Å
159	I	71.1	Confident	77.4	Confident	90 Å²	90	58.4 Å²	58.4	46%	0.462	33%	0.325	S	S	.	.	S	Bend	trans	-77.3	-19.1	170.3	63.2	170.5	0	0	0	112.7	P151 P161	P151-I159 HydrophobicContact CG-CG2 4.42Å; I159-P161 WeakPolarHBondContact O-CD 3.46Å
160	I	78.6	Confident	77.6	Confident	13 Å²	13	56.5 Å²	56.5	7%	0.067	32%	0.316	C	S	.	.	S	Bend	trans	-82.3	118.7	177.8	-66.2	173.1	0	0	0	108.6	G158 W177 Y183 C316	G158-I160 VanDerWaalsContact C-N 3.31Å; I160-W177 HydrophobicContact CG2-CH2 4.23Å; I160-Y183 HydrophobicContact CD1-CD1 3.98Å; I160-Y183 HydrophobicContact CD1-CD2 4.24Å; I160-Y183 HydrophobicContact CD1-CE1 4.11Å; I160-Y183 HydrophobicContact CD1-CE2 4.34Å; I160-Y183 HydrophobicContact CD1-CG 4.07Å; I160-Y183 HydrophobicContact CG1-CD1 4.42Å; I160-Y183 HydrophobicContact CG1-CE1 4.06Å; I160-Y183 HydrophobicContact CG2-CD2 4.36Å; I160-Y183 HydrophobicContact CG2-CE1 4.41Å; I160-Y183 HydrophobicContact CG2-CE2 3.58Å; I160-C316 HydrophobicContact CD1-CB 3.51Å; I160-C316 WeakPolarHBondContact CD1-SG 3.43Å
161	P	77.7	Confident	77.8	Confident	98 Å²	98	56.4 Å²	56.4	64%	0.636	32%	0.315	S	S	*	.			trans	-64.5	138	176.2	26.6	-31.4	0	0	0	109.7	I159	I159-P161 WeakPolarHBondContact O-CD 3.46Å
162	M	80.5	Confident	78.6	Confident	41 Å²	41	60.4 Å²	60.4	20%	0.202	33%	0.333	C	S	.	.			trans	-143.9	119.2	-179.1	168.9	168.2	-87.7	0	0	108.8	D166 F167 C170 W177 L212	M162-D166 HydrophobicContact CE-CB 4.33Å; M162-D166 HydrophobicContact CG-CB 4.11Å; M162-F167 HydrophobicContact CE-CB 4.35Å; M162-F167 HydrophobicContact CG-CB 4.14Å; M162-F167 HydrophobicContact SD-CB 3.89Å; M162-F167 HydrophobicContact SD-CD2 3.83Å; M162-F167 HydrophobicContact SD-CG 4.37Å; M162-C170 HydrophobicContact CE-CB 4.31Å; M162-C170 WeakPolarHBondContact CE-SG 3.46Å; M162-W177 HydrophobicContact CE-CH2 4.5Å; M162-L212 HydrophobicContact CE-CB 4.42Å; M162-L212 HydrophobicContact CE-CD1 3.11Å; M162-L212 HydrophobicContact CE-CD2 4.32Å; M162-L212 HydrophobicContact CE-CG 3.34Å; M162-L212 HydrophobicContact SD-CD1 4.19Å; M162-L212 HydrophobicContact SD-CG 3.81Å
163	N	86.1	Confident	79.6	Confident	87 Å²	87	61.4 Å²	61.4	47%	0.465	34%	0.336	S	S	.	.			trans	-93	178.9	167.5	71.9	54.8	0	0	0	110.4	R165 D166 F167	N163-R165 VanDerWaalsContact C-N 3.34Å; N163-R165 PolarHBondContact O-N 2.88Å; N163-R165 WeakPolarHBondContact OD1-CA 3.49Å; N163-R165 VanDerWaalsContact OD1-CB 3.24Å; N163-R165 WeakPolarHBondContact OD1-CB 3.09Å; N163-R165 PolarHBondContact OD1-N 3.39Å; N163-D166 VanDerWaalsContact CG-CG 3.4Å; N163-D166 PolarHBondContact N-OD2 3.12Å; N163-D166 PolarHBondContact ND2-OD1 2.99Å; N163-D166 VanDerWaalsContact ND2-OD1 3.13Å; N163-D166 PolarHBondContact ND2-OD2 2.92Å; N163-D166 PolarHBondContact O-N 3.48Å; N163-D166 PolarHBondContact OD1-N 2.79Å; N163-F167 PolarHBondContact O-N 2.95Å
164	V	86.7	Confident	81.4	Confident	78 Å²	78	61 Å²	61	47%	0.473	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-40.1	-177.7	178	0	0	0	0	112.1	F167 E168 L209	V164-F167 WeakPolarHBondContact O-CB 3.39Å; V164-F167 PolarHBondContact O-N 3.05Å; V164-E168 PolarHBondContact O-N 3.15Å; V164-L209 HydrophobicContact CB-CD2 4.43Å; V164-L209 HydrophobicContact CG1-CD2 4.38Å; V164-L209 HydrophobicContact CG2-CD1 3.96Å; V164-L209 HydrophobicContact CG2-CD2 4.17Å
165	R	90.5	Very high	83.3	Confident	165 Å²	165	55 Å²	55	62%	0.623	30%	0.296	S	S	*	.	H	α-helix	trans	-65.8	-44.2	177.8	179.5	-175.6	173	177.3	0.5	111	N163 F167 E168 E169	N163-R165 VanDerWaalsContact C-N 3.34Å; N163-R165 PolarHBondContact O-N 2.88Å; N163-R165 WeakPolarHBondContact OD1-CA 3.49Å; N163-R165 VanDerWaalsContact OD1-CB 3.24Å; N163-R165 WeakPolarHBondContact OD1-CB 3.09Å; N163-R165 PolarHBondContact OD1-N 3.39Å; R165-F167 PolarHBondContact O-N 2.84Å; R165-E168 PolarHBondContact O-N 2.92Å; R165-E169 HydrophobicContact CG-CG 4.37Å; R165-E169 IonicContact CZ-OE1 3.23Å; R165-E169 IonicContact NE-OE1 3.5Å; R165-E169 PolarHBondContact NE-OE1 2.79Å; R165-E169 IonicContact NH2-OE1 2.98Å; R165-E169 PolarHBondContact NH2-OE1 2.47Å; R165-E169 WeakPolarHBondContact O-CB 3.36Å; R165-E169 WeakPolarHBondContact O-CG 3.4Å; R165-E169 PolarHBondContact O-N 3.3Å
166	D	90.6	Very high	85.3	Confident	29 Å²	29	53 Å²	53	16%	0.155	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-41.2	175.9	-55.6	-24.9	0	0	0	110.6	M162 N163 E169 C170 W177	M162-D166 HydrophobicContact CE-CB 4.33Å; M162-D166 HydrophobicContact CG-CB 4.11Å; N163-D166 VanDerWaalsContact CG-CG 3.4Å; N163-D166 PolarHBondContact N-OD2 3.12Å; N163-D166 PolarHBondContact ND2-OD1 2.99Å; N163-D166 VanDerWaalsContact ND2-OD1 3.13Å; N163-D166 PolarHBondContact ND2-OD2 2.92Å; N163-D166 PolarHBondContact O-N 3.48Å; N163-D166 PolarHBondContact OD1-N 2.79Å; D166-E169 PolarHBondContact O-N 2.77Å; D166-C170 WeakPolarHBondContact O-CB 3.38Å; D166-C170 PolarHBondContact O-N 3.32Å; D166-C170 PolarHBondContact O-SG 2.9Å; D166-W177 HydrophobicContact CB-CZ2 3.87Å
167	F	90.5	Very high	87.2	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-50.2	177.4	179.4	-99.8	0	0	0	111.9	M162 N163 V164 R165 E169 C170 L171 F208 L209 L210 L258 F309	M162-F167 HydrophobicContact CE-CB 4.35Å; M162-F167 HydrophobicContact CG-CB 4.14Å; M162-F167 HydrophobicContact SD-CB 3.89Å; M162-F167 HydrophobicContact SD-CD2 3.83Å; M162-F167 HydrophobicContact SD-CG 4.37Å; N163-F167 PolarHBondContact O-N 2.95Å; V164-F167 WeakPolarHBondContact O-CB 3.39Å; V164-F167 PolarHBondContact O-N 3.05Å; R165-F167 PolarHBondContact O-N 2.84Å; F167-E169 VanDerWaalsContact C-N 3.31Å; F167-E169 PolarHBondContact O-N 2.95Å; F167-C170 WeakPolarHBondContact O-CB 3.43Å; F167-C170 PolarHBondContact O-N 2.9Å; F167-C170 VanDerWaalsContact O-N 3.16Å; F167-L171 HydrophobicContact CD1-CD1 4.28Å; F167-L171 HydrophobicContact CD1-CG 4.44Å; F167-L171 HydrophobicContact CE1-CD1 3.66Å; F167-L171 HydrophobicContact CE1-CD2 4.4Å; F167-L171 HydrophobicContact CE1-CG 4.12Å; F167-L171 HydrophobicContact CE2-CD2 4.27Å; F167-L171 HydrophobicContact CZ-CD1 4.02Å; F167-L171 HydrophobicContact CZ-CD2 4.03Å; F167-L171 HydrophobicContact CZ-CG 4.27Å; F167-L171 WeakPolarHBondContact O-CG 3.32Å; F167-L171 PolarHBondContact O-N 2.78Å; F167-L171 VanDerWaalsContact O-N 3.11Å; F167-F208 WeakPolarHBondContact CZ-O 3.44Å; F167-L209 HydrophobicContact CB-CD2 3.77Å; F167-L209 HydrophobicContact CD1-CD2 3.58Å; F167-L209 HydrophobicContact CD1-CG 4.25Å; F167-L209 HydrophobicContact CD2-CD2 4.44Å; F167-L209 HydrophobicContact CE1-CD2 4.28Å; F167-L209 HydrophobicContact CG-CD2 3.67Å; F167-L210 WeakPolarHBondContact CD2-O 3.44Å; F167-L210 HydrophobicContact CE2-CB 4.13Å; F167-L258 HydrophobicContact CZ-CD1 4.13Å; F167-L258 HydrophobicContact CZ-CD2 4.13Å; F167-F309 HydrophobicContact CD2-CD2 4.27Å; F167-F309 AromaticContact CD2-CE2 3.96Å; F167-F309 HydrophobicContact CD2-CE2 3.96Å; F167-F309 AromaticContact CE2-CD2 3.76Å; F167-F309 HydrophobicContact CE2-CD2 3.76Å; F167-F309 AromaticContact CE2-CE2 3.55Å; F167-F309 HydrophobicContact CE2-CE2 3.55Å; F167-F309 HydrophobicContact CE2-CZ 4.41Å
168	E	92.9	Very high	88.9	Confident	98 Å²	98	44.3 Å²	44.3	46%	0.458	23%	0.226	S	C	.	.	H	α-helix	trans	-58.2	-44.3	176.5	-71.7	177.3	162	0	0	111.7	V164 R165 C170 L171 E172	V164-E168 PolarHBondContact O-N 3.15Å; R165-E168 PolarHBondContact O-N 2.92Å; E168-C170 VanDerWaalsContact C-N 3.34Å; E168-C170 PolarHBondContact O-N 3Å; E168-L171 WeakPolarHBondContact O-CB 3.41Å; E168-L171 PolarHBondContact O-N 2.89Å; E168-L171 VanDerWaalsContact O-N 3.15Å; E168-E172 PolarHBondContact O-N 3.33Å; E168-E172 VanDerWaalsContact O-N 3.12Å
169	E	94.5	Very high	90.6	Very high	28 Å²	28	46.8 Å²	46.8	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-36.6	176.9	-70	-179.2	-175.6	0	0	111.6	R165 D166 F167 L171 E172 M173 R180	R165-E169 HydrophobicContact CG-CG 4.37Å; R165-E169 IonicContact CZ-OE1 3.23Å; R165-E169 IonicContact NE-OE1 3.5Å; R165-E169 PolarHBondContact NE-OE1 2.79Å; R165-E169 IonicContact NH2-OE1 2.98Å; R165-E169 PolarHBondContact NH2-OE1 2.47Å; R165-E169 WeakPolarHBondContact O-CB 3.36Å; R165-E169 WeakPolarHBondContact O-CG 3.4Å; R165-E169 PolarHBondContact O-N 3.3Å; D166-E169 PolarHBondContact O-N 2.77Å; F167-E169 VanDerWaalsContact C-N 3.31Å; F167-E169 PolarHBondContact O-N 2.95Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.12Å; E169-E172 PolarHBondContact O-N 3.04Å; E169-M173 HydrophobicContact CB-SD 4.18Å; E169-M173 WeakPolarHBondContact O-CB 3.31Å; E169-M173 WeakPolarHBondContact O-CG 3.21Å; E169-M173 PolarHBondContact O-N 3.43Å; E169-R180 IonicContact OE2-CZ 2.62Å; E169-R180 IonicContact OE2-NH1 3.04Å; E169-R180 PolarHBondContact OE2-NH1 3.09Å; E169-R180 IonicContact OE2-NH2 2.78Å; E169-R180 PolarHBondContact OE2-NH2 3.19Å
170	C	94.1	Very high	91.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-40.5	172.5	-70.7	0	0	0	0	112.3	M162 D166 F167 E168 E172 G174 W177 V312	M162-C170 HydrophobicContact CE-CB 4.31Å; M162-C170 WeakPolarHBondContact CE-SG 3.46Å; D166-C170 WeakPolarHBondContact O-CB 3.38Å; D166-C170 PolarHBondContact O-N 3.32Å; D166-C170 PolarHBondContact O-SG 2.9Å; F167-C170 WeakPolarHBondContact O-CB 3.43Å; F167-C170 PolarHBondContact O-N 2.9Å; F167-C170 VanDerWaalsContact O-N 3.16Å; E168-C170 VanDerWaalsContact C-N 3.34Å; E168-C170 PolarHBondContact O-N 3Å; C170-E172 VanDerWaalsContact C-N 3.32Å; C170-G174 PolarHBondContact O-N 2.99Å; C170-G174 VanDerWaalsContact O-N 3.07Å; C170-W177 VanDerWaalsContact SG-CE2 3.53Å; C170-V312 HydrophobicContact CB-CG1 4.24Å; C170-V312 HydrophobicContact CB-CG2 4.24Å
171	L	95.5	Very high	92.5	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-36.2	178.9	-60.4	-165.7	0	0	0	111.7	F167 E168 E169 A201 P203 L258 A305 N308 F309	F167-L171 HydrophobicContact CD1-CD1 4.28Å; F167-L171 HydrophobicContact CD1-CG 4.44Å; F167-L171 HydrophobicContact CE1-CD1 3.66Å; F167-L171 HydrophobicContact CE1-CD2 4.4Å; F167-L171 HydrophobicContact CE1-CG 4.12Å; F167-L171 HydrophobicContact CE2-CD2 4.27Å; F167-L171 HydrophobicContact CZ-CD1 4.02Å; F167-L171 HydrophobicContact CZ-CD2 4.03Å; F167-L171 HydrophobicContact CZ-CG 4.27Å; F167-L171 WeakPolarHBondContact O-CG 3.32Å; F167-L171 PolarHBondContact O-N 2.78Å; F167-L171 VanDerWaalsContact O-N 3.11Å; E168-L171 WeakPolarHBondContact O-CB 3.41Å; E168-L171 PolarHBondContact O-N 2.89Å; E168-L171 VanDerWaalsContact O-N 3.15Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.12Å; L171-A201 WeakPolarHBondContact O-CB 3.22Å; L171-P203 HydrophobicContact CB-CB 4.04Å; L171-P203 HydrophobicContact CB-CG 3.97Å; L171-P203 HydrophobicContact CD1-CB 4.09Å; L171-L258 HydrophobicContact CD2-CD2 3.52Å; L171-A305 HydrophobicContact CB-CB 4.16Å; L171-A305 HydrophobicContact CD1-CB 4.49Å; L171-N308 WeakPolarHBondContact O-CB 3.26Å; L171-N308 PolarHBondContact O-ND2 3.04Å; L171-F309 HydrophobicContact CD2-CB 3.68Å; L171-F309 HydrophobicContact CD2-CD2 4.02Å; L171-F309 HydrophobicContact CD2-CG 4.21Å
172	E	96.2	Very high	93.2	Very high	103 Å²	103	49 Å²	49	48%	0.481	24%	0.243	S	C	.	.	H	α-helix	trans	-84.3	-44.6	-178.1	-173.5	179.2	177.2	0	0	113.1	E168 E169 C170 R197 P203	E168-E172 PolarHBondContact O-N 3.33Å; E168-E172 VanDerWaalsContact O-N 3.12Å; E169-E172 PolarHBondContact O-N 3.04Å; C170-E172 VanDerWaalsContact C-N 3.32Å; E172-R197 PolarHBondContact O-NE 2.86Å; E172-R197 PolarHBondContact O-NH2 3.15Å; E172-P203 HydrophobicContact CB-CG 3.93Å
173	M	96.7	Very high	93.8	Very high	41 Å²	41	49.1 Å²	49.1	20%	0.202	24%	0.242	C	C	.	.	H	α-helix	trans	-91.3	-20	-170	-62.1	-178.5	63.8	0	0	113.1	E169 M175 D176 W177 R180 R197	E169-M173 HydrophobicContact CB-SD 4.18Å; E169-M173 WeakPolarHBondContact O-CB 3.31Å; E169-M173 WeakPolarHBondContact O-CG 3.21Å; E169-M173 PolarHBondContact O-N 3.43Å; M173-M175 PolarHBondContact O-N 3.34Å; M173-D176 HydrophobicContact CB-CB 4.13Å; M173-D176 HydrophobicContact CE-CB 4.06Å; M173-D176 WeakPolarHBondContact O-CB 3.49Å; M173-D176 PolarHBondContact O-N 2.74Å; M173-W177 HydrophobicContact CB-CB 4.05Å; M173-R180 PolarHBondContact SD-NH1 2.86Å; M173-R197 WeakPolarHBondContact O-CD 3.4Å; M173-R197 WeakPolarHBondContact O-CG 3.44Å
174	G	97.1	Very high	94.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-138.4	-173.9	0	0	0	0	0	111.5	C170 D176 W177 G196 V312	C170-G174 PolarHBondContact O-N 2.99Å; C170-G174 VanDerWaalsContact O-N 3.07Å; G174-D176 PolarHBondContact O-N 2.87Å; G174-D176 VanDerWaalsContact O-N 3.11Å; G174-W177 WeakPolarHBondContact O-CB 3.2Å; G174-W177 PolarHBondContact O-N 3.38Å; G174-G196 WeakPolarHBondContact CA-O 3.08Å; G174-V312 WeakPolarHBondContact O-CG2 3.45Å
175	M	97.2	Very high	94.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-16.1	179.9	-77.3	-173.8	63.6	0	0	115.1	R124 M173 W177 T178 L179 D188 C192 G196 W311	R124-M175 PolarHBondContact NH2-SD 3.16Å; M173-M175 PolarHBondContact O-N 3.34Å; M175-W177 PolarHBondContact O-N 3.1Å; M175-T178 PolarHBondContact O-N 2.86Å; M175-T178 VanDerWaalsContact O-N 3.14Å; M175-T178 PolarHBondContact O-OG1 3.39Å; M175-L179 PolarHBondContact O-N 3.19Å; M175-D188 HydrophobicContact CE-CB 3.89Å; M175-C192 HydrophobicContact SD-CB 3.75Å; M175-C192 PolarHBondContact SD-SG 2.9Å; M175-G196 PolarHBondContact N-O 2.88Å; M175-W311 HydrophobicContact CG-CB 4.08Å
176	D	97.4	Very high	95	Very high	32 Å²	32	39.4 Å²	39.4	17%	0.171	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-31.3	171.8	-69.6	-38.5	0	0	0	111.2	M173 G174 R180 K189 R197	M173-D176 HydrophobicContact CB-CB 4.13Å; M173-D176 HydrophobicContact CE-CB 4.06Å; M173-D176 WeakPolarHBondContact O-CB 3.49Å; M173-D176 PolarHBondContact O-N 2.74Å; G174-D176 PolarHBondContact O-N 2.87Å; G174-D176 VanDerWaalsContact O-N 3.11Å; D176-R180 WeakPolarHBondContact O-CB 3.35Å; D176-R180 PolarHBondContact O-N 3.25Å; D176-R180 VanDerWaalsContact O-N 3.1Å; D176-K189 WeakPolarHBondContact OD1-CE 3.34Å; D176-K189 IonicContact OD1-NZ 3.83Å; D176-K189 PolarHBondContact OD1-NZ 2.78Å; D176-K189 IonicContact OD2-NZ 3.56Å; D176-R197 WeakPolarHBondContact OD2-CD 3.05Å; D176-R197 IonicContact OD2-CZ 3.72Å; D176-R197 IonicContact OD2-NE 3.44Å; D176-R197 IonicContact OD2-NH1 3.85Å; D176-R197 PolarHBondContact OD2-NH1 2.9Å
177	W	96.4	Very high	95.3	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.011	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-47	173.9	-175.7	90.2	0	0	0	111.6	I160 M162 D166 C170 M173 G174 M175 L179 R180 E181 Y183 L212 V312	I160-W177 HydrophobicContact CG2-CH2 4.23Å; M162-W177 HydrophobicContact CE-CH2 4.5Å; D166-W177 HydrophobicContact CB-CZ2 3.87Å; C170-W177 VanDerWaalsContact SG-CE2 3.53Å; M173-W177 HydrophobicContact CB-CB 4.05Å; G174-W177 WeakPolarHBondContact O-CB 3.2Å; G174-W177 PolarHBondContact O-N 3.38Å; M175-W177 PolarHBondContact O-N 3.1Å; W177-L179 VanDerWaalsContact C-N 3.27Å; W177-L179 PolarHBondContact O-N 3.22Å; W177-R180 VanDerWaalsContact CD1-NH2 3.3Å; W177-R180 PolarHBondContact O-N 3.31Å; W177-E181 HydrophobicContact CD2-CG 3.93Å; W177-E181 HydrophobicContact CE3-CG 4.3Å; W177-E181 HydrophobicContact CG-CG 4.5Å; W177-E181 HydrophobicContact CH2-CG 4.07Å; W177-E181 HydrophobicContact CZ2-CG 3.68Å; W177-E181 HydrophobicContact CZ3-CG 4.37Å; W177-E181 WeakPolarHBondContact O-CG 3.33Å; W177-E181 PolarHBondContact O-N 3.06Å; W177-Y183 HydrophobicContact CH2-CD2 4.17Å; W177-Y183 AromaticContact CH2-CE2 3.84Å; W177-Y183 HydrophobicContact CH2-CE2 3.84Å; W177-Y183 AromaticContact CZ3-CD2 3.82Å; W177-Y183 HydrophobicContact CZ3-CD2 3.82Å; W177-Y183 AromaticContact CZ3-CE2 3.98Å; W177-Y183 HydrophobicContact CZ3-CE2 3.98Å; W177-L212 HydrophobicContact CE3-CD1 4.48Å; W177-L212 HydrophobicContact CH2-CD1 4.05Å; W177-L212 HydrophobicContact CZ3-CD1 3.74Å; W177-V312 HydrophobicContact CE3-CG1 3.97Å; W177-V312 HydrophobicContact CZ3-CG1 4.23Å
178	T	95.7	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-32.5	179.7	57.4	0	0	0	0	112.5	M175 G182 Y183 S184 V312 S315	M175-T178 PolarHBondContact O-N 2.86Å; M175-T178 VanDerWaalsContact O-N 3.14Å; M175-T178 PolarHBondContact O-OG1 3.39Å; T178-G182 PolarHBondContact O-N 2.89Å; T178-Y183 PolarHBondContact O-N 2.77Å; T178-S184 VanDerWaalsContact C-OG 3.27Å; T178-S184 PolarHBondContact O-N 3.04Å; T178-S184 PolarHBondContact OG1-OG 3.23Å; T178-V312 HydrophobicContact CG2-CB 4.35Å; T178-V312 HydrophobicContact CG2-CG1 3.77Å; T178-V312 HydrophobicContact CG2-CG2 4.44Å; T178-S315 WeakPolarHBondContact CB-OG 3.43Å; T178-S315 PolarHBondContact OG1-OG 3.31Å
179	L	96	Very high	95.8	Very high	69 Å²	69	40 Å²	40	36%	0.361	20%	0.203	S	C	.	.	H	α-helix	trans	-66.4	-45.5	174.8	-177.5	62.5	0	0	0	110.9	M175 W177 E181 G182 S184 A186	M175-L179 PolarHBondContact O-N 3.19Å; W177-L179 VanDerWaalsContact C-N 3.27Å; W177-L179 PolarHBondContact O-N 3.22Å; L179-E181 PolarHBondContact O-N 2.94Å; L179-G182 PolarHBondContact O-N 3Å; L179-S184 WeakPolarHBondContact CA-OG 3.42Å; L179-S184 PolarHBondContact N-OG 2.98Å; L179-S184 VanDerWaalsContact N-OG 3.09Å; L179-A186 HydrophobicContact CD1-CB 4.39Å
180	R	95.8	Very high	95.9	Very high	120 Å²	120	43.4 Å²	43.4	45%	0.453	22%	0.219	S	C	.	.	H	α-helix	trans	-62.3	-42.1	178.9	-171.2	-172.6	70.9	-167.1	1.7	112.5	E169 M173 D176 W177 G182	E169-R180 IonicContact OE2-CZ 2.62Å; E169-R180 IonicContact OE2-NH1 3.04Å; E169-R180 PolarHBondContact OE2-NH1 3.09Å; E169-R180 IonicContact OE2-NH2 2.78Å; E169-R180 PolarHBondContact OE2-NH2 3.19Å; M173-R180 PolarHBondContact SD-NH1 2.86Å; D176-R180 WeakPolarHBondContact O-CB 3.35Å; D176-R180 PolarHBondContact O-N 3.25Å; D176-R180 VanDerWaalsContact O-N 3.1Å; W177-R180 VanDerWaalsContact CD1-NH2 3.3Å; W177-R180 PolarHBondContact O-N 3.31Å; R180-G182 VanDerWaalsContact C-N 3.28Å; R180-G182 PolarHBondContact O-N 3.04Å
181	E	93.8	Very high	96	Very high	78 Å²	78	44.4 Å²	44.4	36%	0.364	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-3.5	-179.6	-59	-52.4	130.6	0	0	113.7	W177 L179 Y183	W177-E181 HydrophobicContact CD2-CG 3.93Å; W177-E181 HydrophobicContact CE3-CG 4.3Å; W177-E181 HydrophobicContact CG-CG 4.5Å; W177-E181 HydrophobicContact CH2-CG 4.07Å; W177-E181 HydrophobicContact CZ2-CG 3.68Å; W177-E181 HydrophobicContact CZ3-CG 4.37Å; W177-E181 WeakPolarHBondContact O-CG 3.33Å; W177-E181 PolarHBondContact O-N 3.06Å; L179-E181 PolarHBondContact O-N 2.94Å; E181-Y183 HydrophobicContact CB-CD2 3.59Å; E181-Y183 HydrophobicContact CB-CE2 3.49Å; E181-Y183 VanDerWaalsContact CB-CE2 3.49Å; E181-Y183 HydrophobicContact CG-CE2 4.3Å
182	G	93.1	Very high	96.2	Very high	51 Å²	51	44.5 Å²	44.5	53%	0.526	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	20.9	177.8	0	0	0	0	0	115.1	T178 L179 R180	T178-G182 PolarHBondContact O-N 2.89Å; L179-G182 PolarHBondContact O-N 3Å; R180-G182 VanDerWaalsContact C-N 3.28Å; R180-G182 PolarHBondContact O-N 3.04Å
183	Y	93.7	Very high	96.3	Very high	43 Å²	43	39.7 Å²	39.7	17%	0.169	20%	0.202	C	C	.	.	S	Bend	trans	-92.7	-6	176.1	-57.8	-52.8	0	0	0	113.9	I160 W177 T178 E181 F319	I160-Y183 HydrophobicContact CD1-CD1 3.98Å; I160-Y183 HydrophobicContact CD1-CD2 4.24Å; I160-Y183 HydrophobicContact CD1-CE1 4.11Å; I160-Y183 HydrophobicContact CD1-CE2 4.34Å; I160-Y183 HydrophobicContact CD1-CG 4.07Å; I160-Y183 HydrophobicContact CG1-CD1 4.42Å; I160-Y183 HydrophobicContact CG1-CE1 4.06Å; I160-Y183 HydrophobicContact CG2-CD2 4.36Å; I160-Y183 HydrophobicContact CG2-CE1 4.41Å; I160-Y183 HydrophobicContact CG2-CE2 3.58Å; W177-Y183 HydrophobicContact CH2-CD2 4.17Å; W177-Y183 AromaticContact CH2-CE2 3.84Å; W177-Y183 HydrophobicContact CH2-CE2 3.84Å; W177-Y183 AromaticContact CZ3-CD2 3.82Å; W177-Y183 HydrophobicContact CZ3-CD2 3.82Å; W177-Y183 AromaticContact CZ3-CE2 3.98Å; W177-Y183 HydrophobicContact CZ3-CE2 3.98Å; T178-Y183 PolarHBondContact O-N 2.77Å; E181-Y183 HydrophobicContact CB-CD2 3.59Å; E181-Y183 HydrophobicContact CB-CE2 3.49Å; E181-Y183 VanDerWaalsContact CB-CE2 3.49Å; E181-Y183 HydrophobicContact CG-CE2 4.3Å; Y183-F319 HydrophobicContact CD1-CD1 4.04Å; Y183-F319 HydrophobicContact CD1-CD2 4.2Å; Y183-F319 HydrophobicContact CD1-CE1 4.09Å; Y183-F319 HydrophobicContact CD1-CE2 4.24Å; Y183-F319 HydrophobicContact CD1-CG 4.09Å; Y183-F319 HydrophobicContact CD1-CZ 4.18Å; Y183-F319 HydrophobicContact CE1-CE1 4.38Å; Y183-F319 WeakPolarHBondContact O-CB 3.48Å
184	S	95.7	Very high	96.3	Very high	10 Å²	10	40.5 Å²	40.5	7%	0.07	21%	0.206	C	C	.	.	S	Bend	trans	-140.3	155.1	175.5	55.5	0	0	0	0	112	T178 L179 S315	T178-S184 VanDerWaalsContact C-OG 3.27Å; T178-S184 PolarHBondContact O-N 3.04Å; T178-S184 PolarHBondContact OG1-OG 3.23Å; L179-S184 WeakPolarHBondContact CA-OG 3.42Å; L179-S184 PolarHBondContact N-OG 2.98Å; L179-S184 VanDerWaalsContact N-OG 3.09Å; S184-S315 WeakPolarHBondContact CB-OG 3.35Å
185	W	97.1	Very high	96.3	Very high	65 Å²	65	46.2 Å²	46.2	25%	0.246	23%	0.228	C	C	.	.			trans	-81.1	161.2	169.4	-54.6	-24.1	0	0	0	110	E187 D188 R322 P333 M338 H339	W185-E187 VanDerWaalsContact C-N 3.29Å; W185-E187 WeakPolarHBondContact CB-OE2 3.48Å; W185-E187 PolarHBondContact O-N 3.13Å; W185-D188 PolarHBondContact N-OD2 3.24Å; W185-D188 WeakPolarHBondContact O-CB 3.34Å; W185-D188 PolarHBondContact O-N 3.31Å; W185-R322 VanDerWaalsContact CD2-CZ 3.44Å; W185-R322 VanDerWaalsContact CE3-CZ 3.47Å; W185-P333 HydrophobicContact CH2-CB 4.35Å; W185-P333 HydrophobicContact CZ2-CB 4.02Å; W185-M338 HydrophobicContact CH2-CB 4.33Å; W185-M338 VanDerWaalsContact CZ3-O 3.31Å; W185-M338 WeakPolarHBondContact CZ3-O 3.28Å; W185-H339 AromaticContact CE3-ND1 3.85Å; W185-H339 AromaticContact CZ3-CE1 3.73Å; W185-H339 AromaticContact CZ3-ND1 3.68Å
186	A	95.6	Very high	96.3	Very high	51 Å²	51	46.2 Å²	46.2	42%	0.421	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-39.5	-179.2	0	0	0	0	0	111.2	L179 D188 K189	L179-A186 HydrophobicContact CD1-CB 4.39Å; A186-D188 VanDerWaalsContact C-N 3.27Å; A186-D188 PolarHBondContact O-N 3.14Å; A186-K189 WeakPolarHBondContact O-CB 3.36Å; A186-K189 PolarHBondContact O-N 3.18Å
187	E	96	Very high	96.3	Very high	89 Å²	89	47.9 Å²	47.9	42%	0.416	23%	0.232	S	C	.	.	H	α-helix	trans	-70.2	-22.8	-177.6	-51.5	74.7	-160.2	0	0	112.3	W185 K189 E190 H191	W185-E187 VanDerWaalsContact C-N 3.29Å; W185-E187 WeakPolarHBondContact CB-OE2 3.48Å; W185-E187 PolarHBondContact O-N 3.13Å; E187-K189 PolarHBondContact O-N 3.17Å; E187-E190 PolarHBondContact O-N 3.02Å; E187-H191 PolarHBondContact O-N 2.87Å; E187-H191 PolarHBondContact O-ND1 2.73Å
188	D	97.8	Very high	96.4	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-31.9	174.8	-66.8	-29.8	0	0	0	110.9	M175 W185 A186 C192 R322 L340	M175-D188 HydrophobicContact CE-CB 3.89Å; W185-D188 PolarHBondContact N-OD2 3.24Å; W185-D188 WeakPolarHBondContact O-CB 3.34Å; W185-D188 PolarHBondContact O-N 3.31Å; A186-D188 VanDerWaalsContact C-N 3.27Å; A186-D188 PolarHBondContact O-N 3.14Å; D188-C192 WeakPolarHBondContact O-CB 3.11Å; D188-R322 IonicContact OD1-CZ 2.63Å; D188-R322 IonicContact OD1-NH1 3.69Å; D188-R322 IonicContact OD1-NH2 3.75Å; D188-R322 PolarHBondContact OD1-NH2 2.9Å; D188-R322 IonicContact OD2-CZ 3.56Å; D188-R322 IonicContact OD2-NH1 2.7Å; D188-R322 PolarHBondContact OD2-NH1 2.95Å; D188-R322 IonicContact OD2-NH2 2.92Å; D188-R322 PolarHBondContact OD2-NH2 2.94Å; D188-L340 HydrophobicContact CB-CD2 4.26Å; D188-L340 WeakPolarHBondContact O-CD2 3.35Å
189	K	96.1	Very high	96.4	Very high	55 Å²	55	54.7 Å²	54.7	24%	0.239	27%	0.268	C	S	.	.	H	α-helix	trans	-70.3	-39.9	177.5	-172.5	-177.5	168.8	-179.9	0	111	D176 A186 E187 H191 C192 Y195	D176-K189 WeakPolarHBondContact OD1-CE 3.34Å; D176-K189 IonicContact OD1-NZ 3.83Å; D176-K189 PolarHBondContact OD1-NZ 2.78Å; D176-K189 IonicContact OD2-NZ 3.56Å; A186-K189 WeakPolarHBondContact O-CB 3.36Å; A186-K189 PolarHBondContact O-N 3.18Å; E187-K189 PolarHBondContact O-N 3.17Å; K189-H191 VanDerWaalsContact C-N 3.26Å; K189-H191 PolarHBondContact O-N 2.92Å; K189-C192 PolarHBondContact O-N 2.88Å; K189-Y195 WeakPolarHBondContact CE-O 3.31Å; K189-Y195 HydrophobicContact CG-CD1 4.43Å; K189-Y195 VanDerWaalsContact CG-O 3.24Å; K189-Y195 WeakPolarHBondContact CG-O 3.45Å; K189-Y195 WeakPolarHBondContact O-CA 3.46Å
190	E	96.2	Very high	96.4	Very high	99 Å²	99	55.4 Å²	55.4	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-66.5	-30.6	-179.4	-59.5	-177.1	170.8	0	0	112.2	E187 C192 P382	E187-E190 PolarHBondContact O-N 3.02Å; E190-C192 VanDerWaalsContact C-N 3.32Å; E190-P382 VanDerWaalsContact O-CG 3.32Å; E190-P382 WeakPolarHBondContact O-CG 3.18Å
191	H	97.9	Very high	96.5	Very high	21 Å²	21	50.4 Å²	50.4	10%	0.097	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	22.9	177	-63.5	86.4	0	0	0	112.7	E187 K189 L340 I341 Y342 D343 Y385	E187-H191 PolarHBondContact O-N 2.87Å; E187-H191 PolarHBondContact O-ND1 2.73Å; K189-H191 VanDerWaalsContact C-N 3.26Å; K189-H191 PolarHBondContact O-N 2.92Å; H191-L340 HydrophobicContact CB-CB 4.22Å; H191-L340 HydrophobicContact CB-CD2 3.83Å; H191-L340 HydrophobicContact CB-CG 3.85Å; H191-L340 WeakPolarHBondContact O-CD2 3.49Å; H191-I341 PolarHBondContact CD2-O 2.96Å; H191-Y342 HydrophobicContact CB-CD2 4.29Å; H191-Y342 CarbonylContact O-C 3.6Å; H191-Y342 VanDerWaalsContact O-CA 3.22Å; H191-Y342 WeakPolarHBondContact O-CA 3.08Å; H191-Y342 WeakPolarHBondContact O-CD2 3.37Å; H191-D343 PolarHBondContact O-N 3.37Å; H191-Y385 AromaticContact CD2-CE2 3.6Å; H191-Y385 AromaticContact CD2-CZ 3.72Å; H191-Y385 PolarHBondContact CD2-OH 3.16Å
192	C	98.2	Very high	96.5	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.027	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-116.8	134.6	176.2	-168	0	0	0	0	110.7	M175 D188 K189 E190 E194 Y195 G196 D343	M175-C192 HydrophobicContact SD-CB 3.75Å; M175-C192 PolarHBondContact SD-SG 2.9Å; D188-C192 WeakPolarHBondContact O-CB 3.11Å; K189-C192 PolarHBondContact O-N 2.88Å; E190-C192 VanDerWaalsContact C-N 3.32Å; C192-E194 PolarHBondContact O-N 2.83Å; C192-Y195 WeakPolarHBondContact O-CA 3.46Å; C192-Y195 PolarHBondContact O-N 2.81Å; C192-G196 WeakPolarHBondContact SG-CA 3.08Å; C192-D343 HydrophobicContact CB-CB 4.26Å
193	E	98.1	Very high	96.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-55.1	135.2	172	173.3	161.8	-157	0	0	111.3	Y195 G196 W311 D343 V344 S345 K350 R372	E193-Y195 PolarHBondContact O-N 3.07Å; E193-G196 PolarHBondContact O-N 3.47Å; E193-W311 HydrophobicContact CG-CZ2 4.44Å; E193-W311 WeakPolarHBondContact O-CZ2 3.06Å; E193-D343 WeakPolarHBondContact CB-O 3.34Å; E193-D343 PolarHBondContact N-O 3.45Å; E193-V344 WeakPolarHBondContact OE2-CA 3.37Å; E193-S345 PolarHBondContact OE2-N 2.77Å; E193-K350 IonicContact OE1-NZ 3.26Å; E193-K350 PolarHBondContact OE1-NZ 2.81Å; E193-R372 WeakPolarHBondContact OE1-CD 3.43Å; E193-R372 IonicContact OE1-CZ 3.78Å; E193-R372 IonicContact OE1-NE 2.81Å; E193-R372 PolarHBondContact OE1-NE 3.19Å; E193-R372 VanDerWaalsContact OE1-NE 3.12Å; E193-R372 IonicContact OE1-NH1 3.47Å; E193-R372 PolarHBondContact OE1-NH1 3.5Å; E193-R372 IonicContact OE1-NH2 2.9Å
194	E	97	Very high	96.4	Very high	59 Å²	59	48.4 Å²	48.4	28%	0.276	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	56.3	22.9	-168.9	-53.3	-55.5	133.8	0	0	114.7	C192 G196 R197 M198 W311 K350 R372	C192-E194 PolarHBondContact O-N 2.83Å; E194-G196 PolarHBondContact O-N 2.8Å; E194-R197 PolarHBondContact O-N 2.99Å; E194-R197 VanDerWaalsContact O-O 3.07Å; E194-M198 HydrophobicContact CG-CG 4.3Å; E194-W311 HydrophobicContact CB-CH2 3.85Å; E194-W311 HydrophobicContact CB-CZ2 4.16Å; E194-W311 HydrophobicContact CB-CZ3 4.44Å; E194-W311 HydrophobicContact CG-CH2 3.79Å; E194-W311 HydrophobicContact CG-CZ2 4.13Å; E194-K350 WeakPolarHBondContact OE1-CD 3.49Å; E194-K350 IonicContact OE1-NZ 2.8Å; E194-K350 PolarHBondContact OE1-NZ 3.15Å; E194-R372 IonicContact OE1-CZ 3.79Å; E194-R372 IonicContact OE1-NH1 3.3Å; E194-R372 PolarHBondContact OE1-NH1 3.14Å; E194-R372 IonicContact OE1-NH2 3.2Å
195	Y	96.9	Very high	95.9	Very high	120 Å²	120	51.6 Å²	51.6	47%	0.471	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	52.7	29.4	-169.9	-61	-88.8	0	0	0	112.3	K189 C192 E193 R197	K189-Y195 WeakPolarHBondContact CE-O 3.31Å; K189-Y195 HydrophobicContact CG-CD1 4.43Å; K189-Y195 VanDerWaalsContact CG-O 3.24Å; K189-Y195 WeakPolarHBondContact CG-O 3.45Å; K189-Y195 WeakPolarHBondContact O-CA 3.46Å; C192-Y195 WeakPolarHBondContact O-CA 3.46Å; C192-Y195 PolarHBondContact O-N 2.81Å; E193-Y195 PolarHBondContact O-N 3.07Å; Y195-R197 VanDerWaalsContact C-N 3.28Å; Y195-R197 PolarHBondContact O-N 3.12Å
196	G	97.8	Very high	94.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	66.9	19.8	-177.7	0	0	0	0	0	115.6	G174 M175 C192 E193 E194 W311	G174-G196 WeakPolarHBondContact CA-O 3.08Å; M175-G196 PolarHBondContact N-O 2.88Å; C192-G196 WeakPolarHBondContact SG-CA 3.08Å; E193-G196 PolarHBondContact O-N 3.47Å; E194-G196 PolarHBondContact O-N 2.8Å; G196-W311 VanDerWaalsContact C-CE3 3.47Å
197	R	98	Very high	93.5	Very high	67 Å²	67	53.2 Å²	53.2	25%	0.253	26%	0.261	S	S	.	.			trans	-152	126.2	-179.4	-173.2	-171.7	-177.5	-172.3	-8.2	113.7	E172 M173 D176 E194 Y195 N308	E172-R197 PolarHBondContact O-NE 2.86Å; E172-R197 PolarHBondContact O-NH2 3.15Å; M173-R197 WeakPolarHBondContact O-CD 3.4Å; M173-R197 WeakPolarHBondContact O-CG 3.44Å; D176-R197 WeakPolarHBondContact OD2-CD 3.05Å; D176-R197 IonicContact OD2-CZ 3.72Å; D176-R197 IonicContact OD2-NE 3.44Å; D176-R197 IonicContact OD2-NH1 3.85Å; D176-R197 PolarHBondContact OD2-NH1 2.9Å; E194-R197 PolarHBondContact O-N 2.99Å; E194-R197 VanDerWaalsContact O-O 3.07Å; Y195-R197 VanDerWaalsContact C-N 3.28Å; Y195-R197 PolarHBondContact O-N 3.12Å; R197-N308 WeakPolarHBondContact CA-OD1 3.37Å
198	M	97.7	Very high	92.1	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.034	26%	0.261	C	S	.	.			trans	-93.7	117.2	163.9	-72.1	175.7	77.3	0	0	110	E194 Q200 A201 M303 A304 A307 N308 W311 I348	E194-M198 HydrophobicContact CG-CG 4.3Å; M198-Q200 VanDerWaalsContact C-N 3.29Å; M198-Q200 PolarHBondContact O-N 2.91Å; M198-A201 WeakPolarHBondContact O-CB 3.48Å; M198-A201 PolarHBondContact O-N 3.12Å; M198-M303 HydrophobicContact CE-CE 3.85Å; M198-A304 HydrophobicContact CB-CB 3.7Å; M198-A304 HydrophobicContact CE-CB 4.1Å; M198-A304 HydrophobicContact SD-CB 4.32Å; M198-A307 HydrophobicContact SD-CB 3.74Å; M198-N308 PolarHBondContact N-OD1 3Å; M198-N308 PolarHBondContact O-ND2 3.35Å; M198-N308 VanDerWaalsContact O-ND2 3.09Å; M198-W311 HydrophobicContact CB-CZ3 4.44Å; M198-W311 HydrophobicContact CG-CH2 3.82Å; M198-W311 HydrophobicContact CG-CZ3 3.73Å; M198-W311 HydrophobicContact SD-CH2 3.97Å; M198-W311 HydrophobicContact SD-CZ3 4.12Å; M198-I348 HydrophobicContact SD-CD1 4.08Å
199	L	96.7	Very high	90.6	Very high	139 Å²	139	58 Å²	58	73%	0.728	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.8	-172	-65	175.6	0	0	0	114.1	A201	L199-A201 PolarHBondContact O-N 2.77Å
200	Q	95.9	Very high	89.2	Confident	83 Å²	83	57.2 Å²	57.2	39%	0.388	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	5.8	-179.2	72.6	-85.2	33.4	0	0	113.8	M198 K301 A304	M198-Q200 VanDerWaalsContact C-N 3.29Å; M198-Q200 PolarHBondContact O-N 2.91Å; Q200-K301 WeakPolarHBondContact O-CG 3.3Å; Q200-A304 HydrophobicContact CG-CB 3.8Å
201	A	97.3	Very high	87.6	Confident	16 Å²	16	57.7 Å²	57.7	13%	0.132	28%	0.284	C	S	.	.			trans	-58.8	138.4	179.2	0	0	0	0	0	111.9	L171 M198 L199 A304 A305 N308	L171-A201 WeakPolarHBondContact O-CB 3.22Å; M198-A201 WeakPolarHBondContact O-CB 3.48Å; M198-A201 PolarHBondContact O-N 3.12Å; L199-A201 PolarHBondContact O-N 2.77Å; A201-A304 HydrophobicContact CB-CB 3.99Å; A201-A305 HydrophobicContact CB-CB 4.12Å; A201-N308 VanDerWaalsContact CB-ND2 3.26Å; A201-N308 WeakPolarHBondContact CB-ND2 3.47Å
202	D	94.7	Very high	86.2	Confident	41 Å²	41	56.7 Å²	56.7	22%	0.219	28%	0.279	C	S	.	.			trans	-126.9	103.3	173.2	-175.5	-16.2	0	0	0	108.6	S204 K205 K301	D202-S204 VanDerWaalsContact CG-OG 3.23Å; D202-S204 PolarHBondContact O-N 3.12Å; D202-S204 VanDerWaalsContact O-N 3.13Å; D202-S204 VanDerWaalsContact OD1-CB 3.27Å; D202-S204 WeakPolarHBondContact OD1-CB 3.45Å; D202-S204 PolarHBondContact OD1-N 3.38Å; D202-S204 PolarHBondContact OD1-OG 3.44Å; D202-S204 PolarHBondContact OD2-OG 2.94Å; D202-K205 HydrophobicContact CB-CG 3.93Å; D202-K205 WeakPolarHBondContact O-CB 3.43Å; D202-K205 PolarHBondContact O-N 3.37Å; D202-K301 HydrophobicContact CB-CB 3.67Å; D202-K301 HydrophobicContact CB-CD 4.06Å; D202-K301 HydrophobicContact CB-CG 4.31Å; D202-K301 PolarHBondContact N-O 2.92Å
203	P	92.3	Very high	84.5	Confident	24 Å²	24	56.7 Å²	56.7	16%	0.156	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-55.3	-29	179.9	-26.4	34.5	0	0	0	113.6	L171 E172 K205 S206	L171-P203 HydrophobicContact CB-CB 4.04Å; L171-P203 HydrophobicContact CB-CG 3.97Å; L171-P203 HydrophobicContact CD1-CB 4.09Å; E172-P203 HydrophobicContact CB-CG 3.93Å; P203-K205 PolarHBondContact O-N 3.2Å; P203-K205 VanDerWaalsContact O-N 3.14Å; P203-S206 CarbonylContact O-C 3.57Å; P203-S206 PolarHBondContact O-N 2.67Å
204	S	90.8	Very high	83.3	Confident	65 Å²	65	57.1 Å²	57.1	46%	0.455	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-65.6	-17.2	178.9	77.2	0	0	0	0	113.2	D202 S206 L207	D202-S204 VanDerWaalsContact CG-OG 3.23Å; D202-S204 PolarHBondContact O-N 3.12Å; D202-S204 VanDerWaalsContact O-N 3.13Å; D202-S204 VanDerWaalsContact OD1-CB 3.27Å; D202-S204 WeakPolarHBondContact OD1-CB 3.45Å; D202-S204 PolarHBondContact OD1-N 3.38Å; D202-S204 PolarHBondContact OD1-OG 3.44Å; D202-S204 PolarHBondContact OD2-OG 2.94Å; S204-S206 VanDerWaalsContact C-N 3.3Å; S204-L207 WeakPolarHBondContact O-CG 3.4Å
205	K	86.5	Confident	82.4	Confident	77 Å²	77	54.3 Å²	54.3	34%	0.335	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-90.6	9.8	174.9	-54.1	-61.1	178.3	173.4	0	112.6	D202 P203 D298 K301	D202-K205 HydrophobicContact CB-CG 3.93Å; D202-K205 WeakPolarHBondContact O-CB 3.43Å; D202-K205 PolarHBondContact O-N 3.37Å; P203-K205 PolarHBondContact O-N 3.2Å; P203-K205 VanDerWaalsContact O-N 3.14Å; K205-D298 HydrophobicContact CD-CB 4.33Å; K205-D298 WeakPolarHBondContact CE-OD1 3.4Å; K205-D298 IonicContact NZ-OD1 3.14Å; K205-D298 PolarHBondContact NZ-OD1 2.74Å; K205-D298 VanDerWaalsContact NZ-OD1 3.14Å; K205-D298 IonicContact NZ-OD2 2.82Å; K205-D298 PolarHBondContact NZ-OD2 3.35Å; K205-K301 HydrophobicContact CG-CB 4.4Å
206	S	75.1	Confident	81.5	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.028	25%	0.247	C	C	.	.			trans	-147.6	52.5	-172	-74.1	0	0	0	0	111.6	P203 S204 F208 V262 G302	P203-S206 CarbonylContact O-C 3.57Å; P203-S206 PolarHBondContact O-N 2.67Å; S204-S206 VanDerWaalsContact C-N 3.3Å; S206-F208 PolarHBondContact O-N 3.22Å; S206-V262 WeakPolarHBondContact OG-CG2 3.46Å; S206-G302 PolarHBondContact OG-O 3.46Å
207	L	65.6	Low	80.6	Confident	146 Å²	146	50 Å²	50	76%	0.764	26%	0.258	S	S	*	.			trans	-73.3	13.6	-171.6	-64.7	168.4	0	0	0	115.4	S204 L209	S204-L207 WeakPolarHBondContact O-CG 3.4Å; L207-L209 PolarHBondContact O-N 3.2Å
208	F	68.5	Low	79.8	Confident	93 Å²	93	47.6 Å²	47.6	41%	0.408	25%	0.254	S	S	.	.			trans	-95.8	95.5	-177.9	-169.2	-107.7	0	0	0	111.3	F167 S206 L210 L258 Q261	F167-F208 WeakPolarHBondContact CZ-O 3.44Å; S206-F208 PolarHBondContact O-N 3.22Å; F208-L210 HydrophobicContact CD1-CD1 4.34Å; F208-L210 HydrophobicContact CD1-CD2 3.99Å; F208-L210 HydrophobicContact CD1-CG 3.82Å; F208-L210 HydrophobicContact CE1-CD1 4.46Å; F208-L210 HydrophobicContact CE1-CD2 3.54Å; F208-L210 HydrophobicContact CE1-CG 3.92Å; F208-L210 PolarHBondContact O-N 3.44Å; F208-L258 HydrophobicContact CB-CD1 3.96Å; F208-L258 WeakPolarHBondContact O-CD1 3.49Å; F208-Q261 HydrophobicContact CB-CG 4.46Å
209	L	65.5	Low	79.2	Confident	96 Å²	96	49.4 Å²	49.4	50%	0.503	26%	0.264	S	S	.	.			trans	-57.5	123.2	178.5	-84.2	157.5	0	0	0	111.9	V164 F167 L207	V164-L209 HydrophobicContact CB-CD2 4.43Å; V164-L209 HydrophobicContact CG1-CD2 4.38Å; V164-L209 HydrophobicContact CG2-CD1 3.96Å; V164-L209 HydrophobicContact CG2-CD2 4.17Å; F167-L209 HydrophobicContact CB-CD2 3.77Å; F167-L209 HydrophobicContact CD1-CD2 3.58Å; F167-L209 HydrophobicContact CD1-CG 4.25Å; F167-L209 HydrophobicContact CD2-CD2 4.44Å; F167-L209 HydrophobicContact CE1-CD2 4.28Å; F167-L209 HydrophobicContact CG-CD2 3.67Å; L207-L209 PolarHBondContact O-N 3.2Å
210	L	67.3	Low	78.9	Confident	39 Å²	39	43 Å²	43	20%	0.204	23%	0.23	C	C	.	.			trans	-126.7	160.5	173.5	-78.6	-172.3	0	0	0	111.8	F167 F208 R256 L258 F309	F167-L210 WeakPolarHBondContact CD2-O 3.44Å; F167-L210 HydrophobicContact CE2-CB 4.13Å; F208-L210 HydrophobicContact CD1-CD1 4.34Å; F208-L210 HydrophobicContact CD1-CD2 3.99Å; F208-L210 HydrophobicContact CD1-CG 3.82Å; F208-L210 HydrophobicContact CE1-CD1 4.46Å; F208-L210 HydrophobicContact CE1-CD2 3.54Å; F208-L210 HydrophobicContact CE1-CG 3.92Å; F208-L210 PolarHBondContact O-N 3.44Å; L210-R256 HydrophobicContact CD1-CB 3.8Å; L210-L258 HydrophobicContact CD1-CB 3.77Å; L210-F309 HydrophobicContact CB-CE1 4.35Å; L210-F309 HydrophobicContact CB-CE2 4.25Å; L210-F309 HydrophobicContact CB-CZ 3.7Å; L210-F309 HydrophobicContact CD1-CE1 4.19Å; L210-F309 HydrophobicContact CD1-CZ 4.35Å
211	K	61.2	Low	78.8	Confident	109 Å²	109	39.3 Å²	39.3	47%	0.474	21%	0.213	S	C	.	.			trans	-92.6	141.2	170.8	-60.7	-152.3	175.6	-147.7	0	111	K157	K157-K211 HydrophobicContact CB-CD 4.02Å; K157-K211 HydrophobicContact CG-CD 4.03Å
212	L	69.6	Low	78.7	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.209	C	C	.	.	S	Bend	trans	-79	167.5	176.1	-73.3	179.6	0	0	0	113.7	G158 M162 W177 F309 V312 N313	G158-L212 WeakPolarHBondContact CA-O 3.37Å; M162-L212 HydrophobicContact CE-CB 4.42Å; M162-L212 HydrophobicContact CE-CD1 3.11Å; M162-L212 HydrophobicContact CE-CD2 4.32Å; M162-L212 HydrophobicContact CE-CG 3.34Å; M162-L212 HydrophobicContact SD-CD1 4.19Å; M162-L212 HydrophobicContact SD-CG 3.81Å; W177-L212 HydrophobicContact CE3-CD1 4.48Å; W177-L212 HydrophobicContact CH2-CD1 4.05Å; W177-L212 HydrophobicContact CZ3-CD1 3.74Å; L212-F309 HydrophobicContact CD2-CD2 3.8Å; L212-F309 HydrophobicContact CD2-CE2 3.31Å; L212-F309 HydrophobicContact CD2-CZ 3.74Å; L212-F309 HydrophobicContact CG-CE2 4.11Å; L212-V312 HydrophobicContact CD1-CG1 3.4Å; L212-V312 VanDerWaalsContact CD1-CG1 3.4Å; L212-V312 HydrophobicContact CD2-CB 4.22Å; L212-V312 HydrophobicContact CD2-CG1 3.56Å; L212-V312 HydrophobicContact CG-CG1 4.13Å; L212-N313 HydrophobicContact CD2-CB 4.32Å
213	G	61.2	Low	78.8	Confident	3 Å²	3	36.9 Å²	36.9	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	72.2	37.3	168.7	0	0	0	0	0	112.7	P151 N313	P151-G213 WeakPolarHBondContact CD-O 3.4Å; G213-N313 VanDerWaalsContact CA-OD1 3.26Å; G213-N313 WeakPolarHBondContact CA-OD1 3.41Å; G213-N313 PolarHBondContact N-OD1 2.98Å
214	T	74	Confident	79.1	Confident	10 Å²	10	35.8 Å²	35.8	6%	0.061	19%	0.192	C	C	.	.			trans	-124.6	137.9	179.9	72.5	0	0	0	0	111	P151 S156 C253 R256 N313	P151-T214 HydrophobicContact CB-CG2 4.17Å; P151-T214 VanDerWaalsContact O-CA 3.3Å; P151-T214 WeakPolarHBondContact O-CA 3.29Å; S156-T214 WeakPolarHBondContact O-CG2 3.32Å; T214-C253 PolarHBondContact O-SG 3.14Å; T214-C253 VanDerWaalsContact O-SG 3.37Å; T214-R256 WeakPolarHBondContact O-CD 3.31Å; T214-N313 PolarHBondContact N-OD1 3.39Å; T214-N313 VanDerWaalsContact N-OD1 3.08Å; T214-N313 PolarHBondContact O-ND2 2.84Å; T214-N313 VanDerWaalsContact O-ND2 3.09Å
215	L	77.3	Confident	79.5	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.17	C	C	.	.			trans	-71.7	-40.6	175.5	-85.7	172.5	0	0	0	111.5	I150 P151 V152 H220 Y221 C253 M317 I496	I150-L215 HydrophobicContact CG2-CD1 3.88Å; I150-L215 HydrophobicContact CG2-CG 3.77Å; P151-L215 PolarHBondContact O-N 3.41Å; V152-L215 HydrophobicContact CG1-CB 4.22Å; V152-L215 HydrophobicContact CG1-CD1 3.65Å; V152-L215 HydrophobicContact CG1-CG 4.42Å; L215-H220 HydrophobicContact CD2-CB 4.46Å; L215-H220 WeakPolarHBondContact O-CB 3.42Å; L215-H220 PolarHBondContact O-ND1 3.41Å; L215-Y221 VanDerWaalsContact CD2-C 3.45Å; L215-Y221 WeakPolarHBondContact CD2-O 3.41Å; L215-C253 HydrophobicContact CD2-CB 4.38Å; L215-C253 PolarHBondContact O-SG 3.1Å; L215-M317 HydrophobicContact CD2-SD 3.7Å; L215-M317 HydrophobicContact CG-SD 3.9Å; L215-I496 HydrophobicContact CD1-CD1 3.64Å; L215-I496 HydrophobicContact CD1-CG1 3.81Å
216	G	79.3	Confident	80	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.			trans	83.2	-145.6	-169	0	0	0	0	0	114.4	G153 G498	G153-G216 WeakPolarHBondContact CA-O 3.16Å; G153-G216 PolarHBondContact N-O 2.91Å; G153-G216 VanDerWaalsContact N-O 3.12Å; G216-G498 CarbonylContact O-C 3.39Å; G216-G498 WeakPolarHBondContact O-CA 3.32Å
217	A	78	Confident	81.2	Confident	29 Å²	29	29 Å²	29	24%	0.24	15%	0.154	C	C	.	.	S	Bend	trans	-131.8	176.4	-177	0	0	0	0	0	110.8	V154	V154-A217 HydrophobicContact CG2-CB 3.76Å
218	G	82.1	Confident	82.7	Confident	16 Å²	16	24.4 Å²	24.4	17%	0.165	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-134.4	179	0	0	0	0	0	112	H220 E463 K497	G218-H220 PolarHBondContact O-N 2.86Å; G218-E463 WeakPolarHBondContact O-CG 3.21Å; G218-K497 WeakPolarHBondContact O-CE 3.25Å; G218-K497 PolarHBondContact O-NZ 3.25Å
219	N	83.6	Confident	84.1	Confident	46 Å²	46	22.6 Å²	22.6	25%	0.246	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	1.7	-176.9	66.3	-26.4	0	0	0	113.7	Y221 H252	N219-Y221 WeakPolarHBondContact O-CD1 3.45Å; N219-H252 PolarHBondContact ND2-CE1 3.41Å; N219-H252 VanDerWaalsContact ND2-CE1 3.29Å; N219-H252 PolarHBondContact O-ND1 3.07Å
220	H	91.1	Very high	85.7	Confident	3 Å²	3	19 Å²	19	1%	0.014	10%	0.104	C	C	.	.			trans	-71.8	145.5	176.2	-62	168.5	0	0	0	112.3	D118 C121 L215 G218 H252 R256 K497	D118-H220 IonicContact OD2-CE1 3.84Å; D118-H220 PolarHBondContact OD2-CE1 2.7Å; D118-H220 IonicContact OD2-NE2 3.33Å; D118-H220 PolarHBondContact OD2-NE2 2.78Å; C121-H220 PolarHBondContact SG-NE2 3.32Å; L215-H220 HydrophobicContact CD2-CB 4.46Å; L215-H220 WeakPolarHBondContact O-CB 3.42Å; L215-H220 PolarHBondContact O-ND1 3.41Å; G218-H220 PolarHBondContact O-N 2.86Å; H220-H252 VanDerWaalsContact CA-O 3.24Å; H220-H252 WeakPolarHBondContact CA-O 3.31Å; H220-H252 VanDerWaalsContact CB-O 3.25Å; H220-H252 WeakPolarHBondContact CB-O 3.49Å; H220-R256 PolarHBondContact CE1-NH1 3.1Å; H220-R256 VanDerWaalsContact CE1-NH1 3.29Å; H220-R256 PolarHBondContact ND1-NH1 3.19Å; H220-K497 WeakPolarHBondContact O-CG 3.46Å; H220-K497 PolarHBondContact O-NZ 3.42Å
221	Y	93.8	Very high	87.2	Confident	7 Å²	7	21.2 Å²	21.2	3%	0.027	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	162.6	-178	55.8	-105.3	0	0	0	112	L215 N219 E223 M250 H252 G395 I496	L215-Y221 VanDerWaalsContact CD2-C 3.45Å; L215-Y221 WeakPolarHBondContact CD2-O 3.41Å; N219-Y221 WeakPolarHBondContact O-CD1 3.45Å; Y221-E223 HydrophobicContact CD2-CB 4.07Å; Y221-E223 HydrophobicContact CD2-CG 3.44Å; Y221-E223 VanDerWaalsContact CD2-CG 3.44Å; Y221-E223 HydrophobicContact CE2-CB 4.3Å; Y221-E223 HydrophobicContact CE2-CG 3.9Å; Y221-E223 HydrophobicContact CG-CG 4.06Å; Y221-M250 HydrophobicContact CE2-CB 4.44Å; Y221-M250 HydrophobicContact CE2-CG 4.04Å; Y221-M250 HydrophobicContact CE2-SD 4.1Å; Y221-H252 HydrophobicContact CD1-CB 4.1Å; Y221-H252 AromaticContact CD1-ND1 3.91Å; Y221-H252 HydrophobicContact CD2-CB 4Å; Y221-H252 HydrophobicContact CE1-CB 3.82Å; Y221-H252 AromaticContact CE1-CG 3.99Å; Y221-H252 AromaticContact CE1-ND1 3.3Å; Y221-H252 VanDerWaalsContact CE1-ND1 3.3Å; Y221-H252 WeakPolarHBondContact CE1-ND1 3.45Å; Y221-H252 HydrophobicContact CE2-CB 3.74Å; Y221-H252 HydrophobicContact CG-CB 4.19Å; Y221-H252 AromaticContact CZ-ND1 3.77Å; Y221-H252 PolarHBondContact N-O 2.72Å; Y221-H252 VanDerWaalsContact N-O 3.15Å; Y221-H252 PolarHBondContact O-N 3.45Å; Y221-G395 WeakPolarHBondContact OH-CA 3.49Å; Y221-I496 VanDerWaalsContact CA-O 3.27Å; Y221-I496 WeakPolarHBondContact CA-O 3.41Å; Y221-I496 WeakPolarHBondContact CB-O 3.42Å
222	G	95	Very high	88.9	Confident	5 Å²	5	17.2 Å²	17.2	5%	0.052	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.2	157.6	0	0	0	0	0	108.5	M250 I496	G222-M250 CarbonylContact C-O 3.57Å; G222-M250 WeakPolarHBondContact CA-O 3.45Å; G222-I496 PolarHBondContact N-O 3.43Å; G222-I496 VanDerWaalsContact O-CG1 3.29Å; G222-I496 WeakPolarHBondContact O-CG1 3.38Å; G222-I496 PolarHBondContact O-N 2.81Å
223	E	96.8	Very high	90.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.5	-175.3	-74.9	-176	-176.9	0	0	111.3	Y221 Q225 V249 M250 A494 V495	Y221-E223 HydrophobicContact CD2-CB 4.07Å; Y221-E223 HydrophobicContact CD2-CG 3.44Å; Y221-E223 VanDerWaalsContact CD2-CG 3.44Å; Y221-E223 HydrophobicContact CE2-CB 4.3Å; Y221-E223 HydrophobicContact CE2-CG 3.9Å; Y221-E223 HydrophobicContact CG-CG 4.06Å; E223-Q225 HydrophobicContact CB-CG 3.87Å; E223-Q225 PolarHBondContact OE2-NE2 2.81Å; E223-V249 CarbonylContact O-C 3.43Å; E223-V249 VanDerWaalsContact O-CA 3.29Å; E223-V249 WeakPolarHBondContact O-CA 3.23Å; E223-M250 PolarHBondContact N-O 3.12Å; E223-M250 PolarHBondContact O-N 3.42Å; E223-A494 CarbonylContact C-O 3.55Å; E223-A494 VanDerWaalsContact CA-O 3.3Å; E223-A494 WeakPolarHBondContact CA-O 3.38Å; E223-V495 HydrophobicContact CG-CB 4.18Å; E223-V495 HydrophobicContact CG-CG1 3.83Å; E223-V495 HydrophobicContact CG-CG2 3.9Å
224	V	98.4	Very high	92	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.6	162.2	-172.5	0	0	0	0	106.9	L142 L146 V247 C248 F325 I493 A494	L142-V224 HydrophobicContact CD2-CG1 4.39Å; L142-V224 HydrophobicContact CD2-CG2 4.09Å; L142-V224 HydrophobicContact CG-CG2 4.47Å; L146-V224 HydrophobicContact CD1-CG2 3.44Å; L146-V224 VanDerWaalsContact CD1-CG2 3.44Å; V224-V247 HydrophobicContact CG1-CG1 3.58Å; V224-C248 WeakPolarHBondContact CA-O 3.48Å; V224-F325 HydrophobicContact CG1-CZ 4.28Å; V224-F325 HydrophobicContact CG2-CE2 4.29Å; V224-F325 HydrophobicContact CG2-CZ 4.09Å; V224-I493 HydrophobicContact CB-CG1 4.16Å; V224-I493 HydrophobicContact CG1-CD1 3.95Å; V224-I493 HydrophobicContact CG1-CG1 3.93Å; V224-I493 VanDerWaalsContact O-CG1 3.29Å; V224-I493 WeakPolarHBondContact O-CG1 3.45Å; V224-I493 PolarHBondContact O-N 2.85Å; V224-A494 HydrophobicContact CB-CB 4.04Å; V224-A494 HydrophobicContact CG2-CB 4.17Å; V224-A494 PolarHBondContact N-O 2.94Å; V224-A494 PolarHBondContact O-N 3.24Å; V224-A494 VanDerWaalsContact O-N 3.16Å
225	Q	98.6	Very high	93.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	161	-174	-57.5	-179.9	-18.8	0	0	110.6	E223 V247 C248 S402 L490 R491	E223-Q225 HydrophobicContact CB-CG 3.87Å; E223-Q225 PolarHBondContact OE2-NE2 2.81Å; Q225-V247 CarbonylContact O-C 3.47Å; Q225-V247 WeakPolarHBondContact O-CA 3.28Å; Q225-C248 PolarHBondContact N-O 3.01Å; Q225-C248 PolarHBondContact O-N 3.3Å; Q225-S402 PolarHBondContact NE2-OG 2.89Å; Q225-L490 HydrophobicContact CB-CB 4.06Å; Q225-L490 HydrophobicContact CB-CD2 4.47Å; Q225-L490 VanDerWaalsContact OE1-CB 3.26Å; Q225-L490 VanDerWaalsContact OE1-CD1 3.25Å; Q225-R491 CarbonylContact C-O 3.44Å; Q225-R491 WeakPolarHBondContact CA-O 3.45Å; Q225-R491 WeakPolarHBondContact CB-O 3.33Å
226	V	98.6	Very high	94.2	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.7	177.7	176.2	0	0	0	0	109.2	E132 D228 Q246 V247 L490 R491 I493	E132-V226 HydrophobicContact CB-CG1 4.1Å; E132-V226 HydrophobicContact CB-CG2 3.91Å; E132-V226 HydrophobicContact CG-CG2 4.05Å; V226-D228 PolarHBondContact O-N 3.32Å; V226-D228 VanDerWaalsContact O-N 3.14Å; V226-Q246 WeakPolarHBondContact CA-O 3.41Å; V226-V247 HydrophobicContact CG2-CG2 4.37Å; V226-L490 CarbonylContact O-C 3.6Å; V226-L490 VanDerWaalsContact O-CA 3.31Å; V226-L490 WeakPolarHBondContact O-CA 3.4Å; V226-R491 HydrophobicContact CB-CG 4.23Å; V226-R491 PolarHBondContact N-O 3.27Å; V226-R491 PolarHBondContact O-N 3.43Å; V226-I493 HydrophobicContact CG2-CD1 3.79Å; V226-I493 HydrophobicContact CG2-CG1 4.15Å; V226-I493 HydrophobicContact CG2-CG2 3.72Å
227	V	98.7	Very high	95.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	109	171.2	178	0	0	0	0	109.2	I230 I241 K244 G245 Q246 I488 L490	V227-I230 HydrophobicContact CG1-CD1 4.08Å; V227-I230 HydrophobicContact CG1-CG1 3.76Å; V227-I241 HydrophobicContact CB-CG2 4.46Å; V227-I241 HydrophobicContact CG1-CG2 3.97Å; V227-I241 HydrophobicContact CG2-CD1 4.27Å; V227-I241 HydrophobicContact CG2-CG2 3.76Å; V227-K244 CarbonylContact O-C 3.5Å; V227-K244 WeakPolarHBondContact O-CA 3.23Å; V227-G245 PolarHBondContact O-N 3.4Å; V227-Q246 HydrophobicContact CB-CB 4.42Å; V227-Q246 HydrophobicContact CG2-CB 4.07Å; V227-Q246 WeakPolarHBondContact CG2-O 3.42Å; V227-Q246 PolarHBondContact N-O 2.99Å; V227-I488 HydrophobicContact CG1-CG2 3.96Å; V227-I488 HydrophobicContact CG2-CG2 4.28Å; V227-L490 HydrophobicContact CG2-CD2 3.8Å
228	D	97.5	Very high	96	Very high	50 Å²	50	39.6 Å²	39.6	27%	0.267	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-35.9	-174.8	-178.6	55.4	0	0	0	111.9	V226 K244 R489 R491	V226-D228 PolarHBondContact O-N 3.32Å; V226-D228 VanDerWaalsContact O-N 3.14Å; D228-K244 WeakPolarHBondContact O-CD 3.32Å; D228-R489 PolarHBondContact N-O 3.42Å; D228-R489 IonicContact OD2-CZ 2.79Å; D228-R489 IonicContact OD2-NE 3.85Å; D228-R489 PolarHBondContact OD2-NE 3.37Å; D228-R489 IonicContact OD2-NH2 3.13Å; D228-R489 PolarHBondContact OD2-NH2 3.22Å; D228-R491 HydrophobicContact CB-CB 4.47Å; D228-R491 HydrophobicContact CB-CG 4.28Å
229	E	98.6	Very high	96.8	Very high	55 Å²	55	39 Å²	39	26%	0.257	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	144.4	178.2	-167.5	56	-104.2	0	0	111.4	Y231 K244 I488 R489	E229-Y231 HydrophobicContact CB-CE2 4.16Å; E229-Y231 HydrophobicContact CG-CD1 4.24Å; E229-Y231 HydrophobicContact CG-CD2 4.48Å; E229-Y231 HydrophobicContact CG-CE1 3.74Å; E229-Y231 HydrophobicContact CG-CE2 4.02Å; E229-K244 WeakPolarHBondContact OE1-CE 3.32Å; E229-K244 IonicContact OE1-NZ 2.72Å; E229-K244 PolarHBondContact OE1-NZ 3.45Å; E229-K244 IonicContact OE2-NZ 2.72Å; E229-K244 PolarHBondContact OE2-NZ 3.02Å; E229-I488 WeakPolarHBondContact O-CA 3.01Å; E229-R489 HydrophobicContact CB-CB 3.84Å; E229-R489 PolarHBondContact N-O 2.76Å; E229-R489 PolarHBondContact O-N 3.16Å
230	I	98.7	Very high	97.4	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.108	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	111.2	174.9	-59.4	174.5	0	0	0	107.8	V227 M233 A236 I241	V227-I230 HydrophobicContact CG1-CD1 4.08Å; V227-I230 HydrophobicContact CG1-CG1 3.76Å; I230-M233 HydrophobicContact CB-CE 4.34Å; I230-M233 HydrophobicContact CD1-CE 3.87Å; I230-M233 HydrophobicContact CD1-SD 4.47Å; I230-M233 HydrophobicContact CG2-CB 4.35Å; I230-M233 HydrophobicContact CG2-CE 3.99Å; I230-M233 HydrophobicContact CG2-SD 4.36Å; I230-A236 HydrophobicContact CG2-CB 3.76Å; I230-I241 HydrophobicContact CD1-CG2 4.18Å
231	Y	98.6	Very high	97.8	Very high	86 Å²	86	37.7 Å²	37.7	34%	0.337	18%	0.175	S	C	.	.	S	Bend	trans	-89.8	-30.5	179.4	-55.8	-82	0	0	0	112.5	E229 Y403 K486 C487 R489	E229-Y231 HydrophobicContact CB-CE2 4.16Å; E229-Y231 HydrophobicContact CG-CD1 4.24Å; E229-Y231 HydrophobicContact CG-CD2 4.48Å; E229-Y231 HydrophobicContact CG-CE1 3.74Å; E229-Y231 HydrophobicContact CG-CE2 4.02Å; Y231-Y403 HydrophobicContact CE2-CD1 4.25Å; Y231-Y403 AromaticContact CE2-CE1 3.92Å; Y231-Y403 HydrophobicContact CE2-CE1 3.92Å; Y231-K486 HydrophobicContact CD2-CB 3.82Å; Y231-K486 HydrophobicContact CD2-CD 4.46Å; Y231-K486 HydrophobicContact CE1-CD 4.39Å; Y231-K486 HydrophobicContact CE2-CB 4.43Å; Y231-K486 HydrophobicContact CE2-CD 4.31Å; Y231-K486 HydrophobicContact CG-CB 3.85Å; Y231-C487 PolarHBondContact N-O 3.48Å; Y231-R489 HydrophobicContact CE2-CB 3.93Å
232	D	98.2	Very high	97.9	Very high	25 Å²	25	41.7 Å²	41.7	13%	0.134	20%	0.197	C	C	.	.			trans	-130.5	95.6	176.5	-169	-30.8	0	0	0	110.2	Q234 A235 A236 K485 C487	D232-Q234 VanDerWaalsContact C-N 3.28Å; D232-Q234 PolarHBondContact O-N 3.34Å; D232-Q234 PolarHBondContact OD1-N 3.43Å; D232-A235 HydrophobicContact CB-CB 4.08Å; D232-A235 PolarHBondContact O-N 3.44Å; D232-A235 PolarHBondContact OD1-N 3.06Å; D232-A236 VanDerWaalsContact O-CB 3.26Å; D232-A236 WeakPolarHBondContact O-CB 3.34Å; D232-A236 PolarHBondContact O-N 2.85Å; D232-K485 WeakPolarHBondContact OD2-CE 3.2Å; D232-K485 IonicContact OD2-NZ 2.69Å; D232-K485 PolarHBondContact OD2-NZ 3.05Å; D232-C487 PolarHBondContact N-O 3.47Å
233	M	98	Very high	98	Very high	73 Å²	73	44.5 Å²	44.5	36%	0.36	21%	0.208	S	C	.	.	H	α-helix	trans	-65.4	-30.1	-178.4	-176.4	59.9	69.2	0	0	112.9	I230 R237	I230-M233 HydrophobicContact CB-CE 4.34Å; I230-M233 HydrophobicContact CD1-CE 3.87Å; I230-M233 HydrophobicContact CD1-SD 4.47Å; I230-M233 HydrophobicContact CG2-CB 4.35Å; I230-M233 HydrophobicContact CG2-CE 3.99Å; I230-M233 HydrophobicContact CG2-SD 4.36Å; M233-R237 HydrophobicContact CG-CG 4.49Å; M233-R237 WeakPolarHBondContact O-CB 3.24Å; M233-R237 VanDerWaalsContact O-CG 3.25Å; M233-R237 WeakPolarHBondContact O-CG 3.25Å; M233-R237 PolarHBondContact O-N 3.42Å; M233-R237 VanDerWaalsContact O-N 3.08Å; M233-R237 HydrophobicContact SD-CG 4.11Å
234	Q	97.2	Very high	98.1	Very high	160 Å²	160	49.6 Å²	49.6	75%	0.748	23%	0.23	S	C	*	.	H	α-helix	trans	-71.2	-46	179.8	-67.6	-176.1	3.4	0	0	110.3	D232 K238	D232-Q234 VanDerWaalsContact C-N 3.28Å; D232-Q234 PolarHBondContact O-N 3.34Å; D232-Q234 PolarHBondContact OD1-N 3.43Å; Q234-K238 PolarHBondContact O-N 3.27Å
235	A	98.1	Very high	98.1	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-43.2	175.8	0	0	0	0	0	112.2	D232 R237 K238 M239 T388 T406	D232-A235 HydrophobicContact CB-CB 4.08Å; D232-A235 PolarHBondContact O-N 3.44Å; D232-A235 PolarHBondContact OD1-N 3.06Å; A235-R237 VanDerWaalsContact C-N 3.35Å; A235-R237 PolarHBondContact O-N 3.45Å; A235-K238 PolarHBondContact O-N 3.15Å; A235-M239 HydrophobicContact CB-CE 4.44Å; A235-M239 WeakPolarHBondContact O-CG 3.33Å; A235-M239 PolarHBondContact O-N 3.35Å; A235-T388 HydrophobicContact CB-CG2 3.83Å; A235-T406 HydrophobicContact CB-CG2 4.22Å
236	A	98.6	Very high	98.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.4	-44.8	177.6	0	0	0	0	0	112	I230 D232 K238 M239 G240 I241 I488	I230-A236 HydrophobicContact CG2-CB 3.76Å; D232-A236 VanDerWaalsContact O-CB 3.26Å; D232-A236 WeakPolarHBondContact O-CB 3.34Å; D232-A236 PolarHBondContact O-N 2.85Å; A236-K238 VanDerWaalsContact C-N 3.3Å; A236-K238 PolarHBondContact O-N 2.9Å; A236-M239 CarbonylContact O-C 3.45Å; A236-M239 WeakPolarHBondContact O-CA 3.42Å; A236-M239 WeakPolarHBondContact O-CB 3.32Å; A236-M239 PolarHBondContact O-N 3.44Å; A236-G240 PolarHBondContact O-N 3.49Å; A236-I241 CarbonylContact C-O 3.53Å; A236-I241 HydrophobicContact CB-CB 4.23Å; A236-I241 HydrophobicContact CB-CG2 4.43Å; A236-I241 WeakPolarHBondContact CB-O 3.27Å; A236-I241 PolarHBondContact O-N 3.46Å; A236-I241 VanDerWaalsContact O-O 3.06Å; A236-I488 HydrophobicContact CB-CD1 3.97Å; A236-I488 HydrophobicContact CB-CG1 3.94Å
237	R	98.1	Very high	98.1	Very high	165 Å²	165	50.3 Å²	50.3	62%	0.623	24%	0.238	S	C	*	.	H	α-helix	trans	-61.8	-35.8	177.9	-78	175.5	178.6	177.4	-0.9	113	M233 A235 M239 G240 I241 D242	M233-R237 HydrophobicContact CG-CG 4.49Å; M233-R237 WeakPolarHBondContact O-CB 3.24Å; M233-R237 VanDerWaalsContact O-CG 3.25Å; M233-R237 WeakPolarHBondContact O-CG 3.25Å; M233-R237 PolarHBondContact O-N 3.42Å; M233-R237 VanDerWaalsContact O-N 3.08Å; M233-R237 HydrophobicContact SD-CG 4.11Å; A235-R237 VanDerWaalsContact C-N 3.35Å; A235-R237 PolarHBondContact O-N 3.45Å; R237-M239 PolarHBondContact O-N 3.49Å; R237-G240 PolarHBondContact O-N 3.21Å; R237-I241 WeakPolarHBondContact CA-O 3.44Å; R237-I241 PolarHBondContact N-O 3.29Å; R237-I241 VanDerWaalsContact N-O 3.12Å; R237-D242 HydrophobicContact CG-CB 4.2Å
238	K	97.5	Very high	98.1	Very high	115 Å²	115	50.3 Å²	50.3	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-65.6	-28.8	173.4	-70.1	-62.6	-173.7	176.3	0	112.5	Q234 A235 A236 G240 Y385 T388	Q234-K238 PolarHBondContact O-N 3.27Å; A235-K238 PolarHBondContact O-N 3.15Å; A236-K238 VanDerWaalsContact C-N 3.3Å; A236-K238 PolarHBondContact O-N 2.9Å; K238-G240 PolarHBondContact O-N 2.86Å; K238-Y385 HydrophobicContact CB-CD1 4.28Å; K238-Y385 HydrophobicContact CB-CE1 4.36Å; K238-Y385 WeakPolarHBondContact O-CE1 3.47Å; K238-T388 HydrophobicContact CB-CG2 4.37Å; K238-T388 HydrophobicContact CG-CG2 4.13Å
239	M	98.1	Very high	98.2	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.015	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	9	173	-58.4	172.7	-165.6	0	0	112.8	R127 A235 A236 R237 I241 I341 Y385 P391 V404 T406 I488	R127-M239 VanDerWaalsContact CD-O 3.24Å; R127-M239 WeakPolarHBondContact CD-O 3.39Å; A235-M239 HydrophobicContact CB-CE 4.44Å; A235-M239 WeakPolarHBondContact O-CG 3.33Å; A235-M239 PolarHBondContact O-N 3.35Å; A236-M239 CarbonylContact O-C 3.45Å; A236-M239 WeakPolarHBondContact O-CA 3.42Å; A236-M239 WeakPolarHBondContact O-CB 3.32Å; A236-M239 PolarHBondContact O-N 3.44Å; R237-M239 PolarHBondContact O-N 3.49Å; M239-I241 VanDerWaalsContact C-N 3.28Å; M239-I241 PolarHBondContact O-N 3.46Å; M239-I341 HydrophobicContact CB-CD1 4.28Å; M239-I341 HydrophobicContact CB-CG1 4.34Å; M239-I341 HydrophobicContact CB-CG2 3.88Å; M239-I341 HydrophobicContact CG-CG2 3.91Å; M239-I341 WeakPolarHBondContact O-CG1 3.3Å; M239-I341 HydrophobicContact SD-CG2 4.08Å; M239-Y385 HydrophobicContact CG-CE1 3.86Å; M239-P391 HydrophobicContact CE-CB 3.94Å; M239-P391 HydrophobicContact CE-CG 3.96Å; M239-P391 HydrophobicContact SD-CB 4.45Å; M239-V404 HydrophobicContact CE-CG1 4.12Å; M239-V404 HydrophobicContact SD-CG1 3.65Å; M239-T406 HydrophobicContact CE-CG2 3.65Å; M239-I488 HydrophobicContact SD-CD1 4.28Å
240	G	97.8	Very high	98.2	Very high	20 Å²	20	45.5 Å²	45.5	21%	0.206	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	25.1	-177.9	0	0	0	0	0	114.3	R127 A236 R237 K238 Q246	R127-G240 PolarHBondContact NH1-O 3.32Å; A236-G240 PolarHBondContact O-N 3.49Å; R237-G240 PolarHBondContact O-N 3.21Å; K238-G240 PolarHBondContact O-N 2.86Å; G240-Q246 PolarHBondContact O-NE2 3.03Å
241	I	98.4	Very high	98	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.209	C	C	.	.			trans	-113.5	111.9	174.2	-55.3	-59.6	0	0	0	109.8	R127 V227 I230 A236 R237 M239 Q246 I341 I488	R127-I241 HydrophobicContact CB-CD1 3.91Å; V227-I241 HydrophobicContact CB-CG2 4.46Å; V227-I241 HydrophobicContact CG1-CG2 3.97Å; V227-I241 HydrophobicContact CG2-CD1 4.27Å; V227-I241 HydrophobicContact CG2-CG2 3.76Å; I230-I241 HydrophobicContact CD1-CG2 4.18Å; A236-I241 CarbonylContact C-O 3.53Å; A236-I241 HydrophobicContact CB-CB 4.23Å; A236-I241 HydrophobicContact CB-CG2 4.43Å; A236-I241 WeakPolarHBondContact CB-O 3.27Å; A236-I241 PolarHBondContact O-N 3.46Å; A236-I241 VanDerWaalsContact O-O 3.06Å; R237-I241 WeakPolarHBondContact CA-O 3.44Å; R237-I241 PolarHBondContact N-O 3.29Å; R237-I241 VanDerWaalsContact N-O 3.12Å; M239-I241 VanDerWaalsContact C-N 3.28Å; M239-I241 PolarHBondContact O-N 3.46Å; I241-Q246 VanDerWaalsContact CA-OE1 3.31Å; I241-Q246 VanDerWaalsContact CD1-CD 3.48Å; I241-Q246 HydrophobicContact CD1-CG 4.24Å; I241-I341 HydrophobicContact CD1-CD1 4.16Å; I241-I341 HydrophobicContact CG1-CD1 4Å; I241-I488 HydrophobicContact CB-CD1 4Å; I241-I488 HydrophobicContact CG1-CD1 3.9Å; I241-I488 HydrophobicContact CG2-CD1 4.12Å
242	D	95.9	Very high	97.9	Very high	91 Å²	91	40.9 Å²	40.9	49%	0.487	20%	0.195	S	C	.	.			trans	-120	-11	-173.1	66	-21.2	0	0	0	114.6	R237	R237-D242 HydrophobicContact CG-CB 4.2Å
243	H	98.2	Very high	97.8	Very high	64 Å²	64	39.7 Å²	39.7	30%	0.296	19%	0.188	S	C	.	.	S	Bend	trans	-146.9	159.9	178.1	61.3	-71.4	0	0	0	113.1	N131	N131-H243 PolarHBondContact ND2-NE2 3.29Å; N131-H243 PolarHBondContact OD1-CD2 3.24Å; N131-H243 VanDerWaalsContact OD1-CD2 3.31Å; N131-H243 PolarHBondContact OD1-NE2 3.22Å
244	K	98.7	Very high	97.6	Very high	107 Å²	107	36.2 Å²	36.2	47%	0.465	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	146	167.4	-60.9	-179	-179.3	-163.2	0	109.6	V227 D228 E229	V227-K244 CarbonylContact O-C 3.5Å; V227-K244 WeakPolarHBondContact O-CA 3.23Å; D228-K244 WeakPolarHBondContact O-CD 3.32Å; E229-K244 WeakPolarHBondContact OE1-CE 3.32Å; E229-K244 IonicContact OE1-NZ 2.72Å; E229-K244 PolarHBondContact OE1-NZ 3.45Å; E229-K244 IonicContact OE2-NZ 2.72Å; E229-K244 PolarHBondContact OE2-NZ 3.02Å
245	G	98.5	Very high	97.4	Very high	15 Å²	15	28.6 Å²	28.6	16%	0.155	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	-12.2	-178.3	0	0	0	0	0	114.2	N131 E132 V227	N131-G245 CarbonylContact C-O 3.59Å; N131-G245 WeakPolarHBondContact CA-O 3.31Å; E132-G245 PolarHBondContact N-O 3.17Å; V227-G245 PolarHBondContact O-N 3.4Å
246	Q	98.8	Very high	97	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.019	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	141.9	175.7	-170.6	174.5	-3.9	0	0	111.3	T128 L130 V226 V227 G240 I241	T128-Q246 WeakPolarHBondContact O-CG 3.47Å; T128-Q246 PolarHBondContact O-NE2 3.29Å; L130-Q246 WeakPolarHBondContact O-CA 3.17Å; V226-Q246 WeakPolarHBondContact CA-O 3.41Å; V227-Q246 HydrophobicContact CB-CB 4.42Å; V227-Q246 HydrophobicContact CG2-CB 4.07Å; V227-Q246 WeakPolarHBondContact CG2-O 3.42Å; V227-Q246 PolarHBondContact N-O 2.99Å; G240-Q246 PolarHBondContact O-NE2 3.03Å; I241-Q246 VanDerWaalsContact CA-OE1 3.31Å; I241-Q246 VanDerWaalsContact CD1-CD 3.48Å; I241-Q246 HydrophobicContact CD1-CG 4.24Å
247	V	98.7	Very high	96.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.3	-177.6	173	0	0	0	0	110.3	T128 L130 V135 V224 Q225 V226	T128-V247 PolarHBondContact N-O 2.84Å; T128-V247 VanDerWaalsContact N-O 3.15Å; T128-V247 PolarHBondContact OG1-O 3.33Å; T128-V247 VanDerWaalsContact OG1-O 3.09Å; L130-V247 HydrophobicContact CB-CB 4.23Å; L130-V247 HydrophobicContact CB-CG2 4.39Å; L130-V247 PolarHBondContact O-N 3.17Å; V135-V247 HydrophobicContact CB-CG2 4.45Å; V135-V247 HydrophobicContact CG2-CB 4.36Å; V135-V247 HydrophobicContact CG2-CG1 4.12Å; V135-V247 HydrophobicContact CG2-CG2 3.69Å; V224-V247 HydrophobicContact CG1-CG1 3.58Å; Q225-V247 CarbonylContact O-C 3.47Å; Q225-V247 WeakPolarHBondContact O-CA 3.28Å; V226-V247 HydrophobicContact CG2-CG2 4.37Å
248	C	98.7	Very high	96.3	Very high	1 Å²	1	24 Å²	24	1%	0.007	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	160.6	175.2	-60.5	0	0	0	0	110.3	L125 L126 V224 Q225 L490	L125-C248 HydrophobicContact CD1-CB 3.81Å; L126-C248 CarbonylContact O-C 3.5Å; L126-C248 WeakPolarHBondContact O-CA 3.38Å; L126-C248 VanDerWaalsContact O-CB 3.25Å; L126-C248 WeakPolarHBondContact O-CB 3.45Å; V224-C248 WeakPolarHBondContact CA-O 3.48Å; Q225-C248 PolarHBondContact N-O 3.01Å; Q225-C248 PolarHBondContact O-N 3.3Å; C248-L490 HydrophobicContact CB-CD2 4.12Å
249	V	98.4	Very high	96.1	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.018	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.9	174.8	-172.3	0	0	0	0	109.6	L125 L126 E223 A321 F325 M338	L125-V249 CarbonylContact C-O 3.45Å; L125-V249 WeakPolarHBondContact CA-O 3.42Å; L126-V249 HydrophobicContact CB-CB 4.25Å; L126-V249 HydrophobicContact CD1-CB 4.24Å; L126-V249 PolarHBondContact N-O 3.33Å; L126-V249 PolarHBondContact O-N 3.25Å; E223-V249 CarbonylContact O-C 3.43Å; E223-V249 VanDerWaalsContact O-CA 3.29Å; E223-V249 WeakPolarHBondContact O-CA 3.23Å; V249-A321 HydrophobicContact CG1-CB 4.43Å; V249-F325 HydrophobicContact CG2-CD2 4.47Å; V249-F325 HydrophobicContact CG2-CE1 4.31Å; V249-F325 HydrophobicContact CG2-CE2 3.46Å; V249-F325 VanDerWaalsContact CG2-CE2 3.46Å; V249-F325 HydrophobicContact CG2-CZ 3.36Å; V249-M338 HydrophobicContact CG2-CE 4.27Å
250	M	98.3	Very high	95.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.1	177.1	-171.6	173.7	-73.5	0	0	110.3	V123 R124 L125 Y221 G222 E223 L490	V123-M250 HydrophobicContact CG1-CE 4.23Å; V123-M250 HydrophobicContact CG1-CG 3.51Å; V123-M250 HydrophobicContact CG1-SD 3.63Å; R124-M250 CarbonylContact O-C 3.6Å; R124-M250 WeakPolarHBondContact O-CA 3.32Å; L125-M250 HydrophobicContact CD1-CB 3.99Å; L125-M250 HydrophobicContact CD1-CE 4Å; Y221-M250 HydrophobicContact CE2-CB 4.44Å; Y221-M250 HydrophobicContact CE2-CG 4.04Å; Y221-M250 HydrophobicContact CE2-SD 4.1Å; G222-M250 CarbonylContact C-O 3.57Å; G222-M250 WeakPolarHBondContact CA-O 3.45Å; E223-M250 PolarHBondContact N-O 3.12Å; E223-M250 PolarHBondContact O-N 3.42Å; M250-L490 HydrophobicContact CE-CD1 4.03Å
251	V	96.3	Very high	95.7	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.8	174.8	178.6	0	0	0	0	108.5	V123 R124 M317	V123-V251 CarbonylContact C-O 3.57Å; V123-V251 WeakPolarHBondContact CA-O 3.25Å; R124-V251 HydrophobicContact CB-CB 4.35Å; R124-V251 PolarHBondContact N-O 2.65Å; R124-V251 PolarHBondContact O-N 3.47Å; V251-M317 HydrophobicContact CG1-CB 3.99Å; V251-M317 HydrophobicContact CG1-CE 4Å; V251-M317 HydrophobicContact CG1-SD 3.9Å
252	H	96.1	Very high	95.5	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.042	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	112.5	177.1	178.7	-169.8	0	0	0	109.8	C121 G122 V123 N219 H220 Y221 H346	C121-H252 PolarHBondContact SG-NE2 3.49Å; G122-H252 WeakPolarHBondContact O-CA 3.47Å; G122-H252 PolarHBondContact O-CD2 2.81Å; V123-H252 HydrophobicContact CG2-CB 4.31Å; N219-H252 PolarHBondContact ND2-CE1 3.41Å; N219-H252 VanDerWaalsContact ND2-CE1 3.29Å; N219-H252 PolarHBondContact O-ND1 3.07Å; H220-H252 VanDerWaalsContact CA-O 3.24Å; H220-H252 WeakPolarHBondContact CA-O 3.31Å; H220-H252 VanDerWaalsContact CB-O 3.25Å; H220-H252 WeakPolarHBondContact CB-O 3.49Å; Y221-H252 HydrophobicContact CD1-CB 4.1Å; Y221-H252 AromaticContact CD1-ND1 3.91Å; Y221-H252 HydrophobicContact CD2-CB 4Å; Y221-H252 HydrophobicContact CE1-CB 3.82Å; Y221-H252 AromaticContact CE1-CG 3.99Å; Y221-H252 AromaticContact CE1-ND1 3.3Å; Y221-H252 VanDerWaalsContact CE1-ND1 3.3Å; Y221-H252 WeakPolarHBondContact CE1-ND1 3.45Å; Y221-H252 HydrophobicContact CE2-CB 3.74Å; Y221-H252 HydrophobicContact CG-CB 4.19Å; Y221-H252 AromaticContact CZ-ND1 3.77Å; Y221-H252 PolarHBondContact N-O 2.72Å; Y221-H252 VanDerWaalsContact N-O 3.15Å; Y221-H252 PolarHBondContact O-N 3.45Å; H252-H346 AromaticContact CD2-NE2 3.71Å; H252-H346 AromaticContact NE2-CE1 3.46Å; H252-H346 PolarHBondContact NE2-CE1 3.31Å; H252-H346 AromaticContact NE2-NE2 3.28Å; H252-H346 PolarHBondContact NE2-NE2 3.3Å
253	C	94.6	Very high	95.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	160.8	179.2	-162.7	0	0	0	0	112	G122 T214 L215 R256 N313 R314 M317	G122-C253 PolarHBondContact N-O 3.49Å; G122-C253 PolarHBondContact O-N 2.97Å; G122-C253 VanDerWaalsContact O-O 3.09Å; T214-C253 PolarHBondContact O-SG 3.14Å; T214-C253 VanDerWaalsContact O-SG 3.37Å; L215-C253 HydrophobicContact CD2-CB 4.38Å; L215-C253 PolarHBondContact O-SG 3.1Å; C253-R256 VanDerWaalsContact SG-CD 3.5Å; C253-N313 PolarHBondContact SG-ND2 3.43Å; C253-R314 HydrophobicContact CB-CG 4.44Å; C253-R314 PolarHBondContact O-NH1 3.49Å; C253-M317 HydrophobicContact CB-CE 3.39Å; C253-M317 HydrophobicContact CB-SD 4.33Å
254	G	93.9	Very high	95.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.			trans	-123.4	-151.1	176.5	0	0	0	0	0	115.4	D118 N120 R256 N313	D118-G254 WeakPolarHBondContact OD1-CA 3.23Å; N120-G254 WeakPolarHBondContact O-CA 3.5Å; G254-R256 PolarHBondContact O-N 3.46Å; G254-N313 PolarHBondContact O-ND2 3.06Å
255	S	93.7	Very high	95.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.			trans	-82	5.3	-176.3	56.4	0	0	0	0	113.6	D118 I119 L258 G259 A306 F309	D118-S255 PolarHBondContact OD1-N 2.99Å; D118-S255 PolarHBondContact OD1-OG 3.4Å; I119-S255 PolarHBondContact N-OG 3.31Å; I119-S255 WeakPolarHBondContact O-CB 3.37Å; I119-S255 PolarHBondContact O-N 3.22Å; I119-S255 PolarHBondContact O-OG 3.35Å; S255-L258 WeakPolarHBondContact O-CB 3.25Å; S255-L258 PolarHBondContact O-N 2.96Å; S255-G259 WeakPolarHBondContact OG-CA 3.33Å; S255-G259 PolarHBondContact OG-N 3.26Å; S255-A306 VanDerWaalsContact CB-O 3.25Å; S255-A306 WeakPolarHBondContact CB-O 3.38Å; S255-F309 WeakPolarHBondContact O-CD1 3.4Å
256	R	90	Very high	95	Very high	41 Å²	41	19 Å²	19	16%	0.155	10%	0.104	C	C	.	.	H	α-helix	trans	61.6	-140.9	175.3	-48.2	-56.8	-52.4	108.1	22	110.5	L210 T214 H220 C253 G254 L258 F309	L210-R256 HydrophobicContact CD1-CB 3.8Å; T214-R256 WeakPolarHBondContact O-CD 3.31Å; H220-R256 PolarHBondContact CE1-NH1 3.1Å; H220-R256 VanDerWaalsContact CE1-NH1 3.29Å; H220-R256 PolarHBondContact ND1-NH1 3.19Å; C253-R256 VanDerWaalsContact SG-CD 3.5Å; G254-R256 PolarHBondContact O-N 3.46Å; R256-L258 PolarHBondContact O-N 2.98Å; R256-F309 HydrophobicContact CB-CE1 4.3Å; R256-F309 HydrophobicContact CG-CE1 4.05Å
257	G	88.8	Confident	94.8	Very high	29 Å²	29	19.5 Å²	19.5	30%	0.299	11%	0.106	S	C	.	.	H	α-helix	trans	-66.2	-19	178.1	0	0	0	0	0	114.1	H260 Q261	G257-H260 PolarHBondContact O-N 3.13Å; G257-Q261 WeakPolarHBondContact O-CB 3.49Å; G257-Q261 PolarHBondContact O-N 3.02Å
258	L	92.3	Very high	94.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-69.4	-54.4	-172.6	-178.3	66.4	0	0	0	110.3	F167 L171 F208 L210 S255 R256 H260 Q261 V262 A306 F309	F167-L258 HydrophobicContact CZ-CD1 4.13Å; F167-L258 HydrophobicContact CZ-CD2 4.13Å; L171-L258 HydrophobicContact CD2-CD2 3.52Å; F208-L258 HydrophobicContact CB-CD1 3.96Å; F208-L258 WeakPolarHBondContact O-CD1 3.49Å; L210-L258 HydrophobicContact CD1-CB 3.77Å; S255-L258 WeakPolarHBondContact O-CB 3.25Å; S255-L258 PolarHBondContact O-N 2.96Å; R256-L258 PolarHBondContact O-N 2.98Å; L258-H260 PolarHBondContact O-N 2.83Å; L258-Q261 PolarHBondContact O-N 2.94Å; L258-Q261 VanDerWaalsContact O-N 3.15Å; L258-V262 WeakPolarHBondContact O-CG2 3.19Å; L258-V262 PolarHBondContact O-N 2.65Å; L258-A306 HydrophobicContact CD2-CB 4.43Å; L258-A306 HydrophobicContact CG-CB 4.39Å; L258-F309 HydrophobicContact CB-CD1 4.45Å; L258-F309 HydrophobicContact CD2-CB 3.67Å; L258-F309 HydrophobicContact CD2-CD1 4.1Å; L258-F309 HydrophobicContact CD2-CD2 4.26Å; L258-F309 HydrophobicContact CD2-CG 3.74Å
259	G	94.4	Very high	94.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-36.7	177.4	0	0	0	0	0	112.2	F117 S255 Q261 V262 A263	F117-G259 CarbonylContact O-C 3.5Å; F117-G259 VanDerWaalsContact O-O 3.1Å; S255-G259 WeakPolarHBondContact OG-CA 3.33Å; S255-G259 PolarHBondContact OG-N 3.26Å; G259-Q261 VanDerWaalsContact C-N 3.32Å; G259-Q261 PolarHBondContact O-N 3.49Å; G259-V262 PolarHBondContact O-N 3.15Å; G259-A263 WeakPolarHBondContact O-CB 3.31Å; G259-A263 PolarHBondContact O-N 3.15Å
260	H	93.2	Very high	94.4	Very high	94 Å²	94	26.6 Å²	26.6	44%	0.435	15%	0.149	S	C	.	.	H	α-helix	trans	-60.7	-44.3	176.8	-176.3	-69.2	0	0	0	111	F117 G257 L258 T264	F117-H260 AromaticContact CD1-CD2 3.81Å; F117-H260 AromaticContact CD1-NE2 3.78Å; F117-H260 VanDerWaalsContact O-CA 3.25Å; F117-H260 WeakPolarHBondContact O-CA 3.45Å; F117-H260 PolarHBondContact O-N 3.07Å; G257-H260 PolarHBondContact O-N 3.13Å; L258-H260 PolarHBondContact O-N 2.83Å; H260-T264 PolarHBondContact CE1-OG1 2.83Å; H260-T264 PolarHBondContact ND1-OG1 3.22Å; H260-T264 WeakPolarHBondContact O-CB 3.32Å; H260-T264 PolarHBondContact O-N 3.46Å; H260-T264 PolarHBondContact O-OG1 3.05Å
261	Q	93.1	Very high	94.2	Very high	65 Å²	65	29.1 Å²	29.1	30%	0.304	16%	0.161	S	C	.	.	H	α-helix	trans	-66.9	-46.4	177.9	-167.5	59.6	50.3	0	0	111.3	F208 G257 L258 G259 A263 T264 D265	F208-Q261 HydrophobicContact CB-CG 4.46Å; G257-Q261 WeakPolarHBondContact O-CB 3.49Å; G257-Q261 PolarHBondContact O-N 3.02Å; L258-Q261 PolarHBondContact O-N 2.94Å; L258-Q261 VanDerWaalsContact O-N 3.15Å; G259-Q261 VanDerWaalsContact C-N 3.32Å; G259-Q261 PolarHBondContact O-N 3.49Å; Q261-A263 VanDerWaalsContact C-N 3.32Å; Q261-A263 PolarHBondContact O-N 3.29Å; Q261-T264 PolarHBondContact O-N 3.15Å; Q261-T264 VanDerWaalsContact O-N 3.09Å; Q261-D265 PolarHBondContact NE2-OD1 3.11Å; Q261-D265 PolarHBondContact NE2-OD2 2.73Å; Q261-D265 VanDerWaalsContact O-CG 3.28Å; Q261-D265 PolarHBondContact O-N 3.43Å
262	V	95.4	Very high	94.1	Very high	10 Å²	10	36.1 Å²	36.1	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-55.6	-45.7	176	170	0	0	0	0	111.6	I119 S206 L258 G259 A266 Y299 A306	I119-V262 HydrophobicContact CD1-CB 4.07Å; I119-V262 HydrophobicContact CD1-CG1 3.82Å; S206-V262 WeakPolarHBondContact OG-CG2 3.46Å; L258-V262 WeakPolarHBondContact O-CG2 3.19Å; L258-V262 PolarHBondContact O-N 2.65Å; G259-V262 PolarHBondContact O-N 3.15Å; V262-A266 VanDerWaalsContact O-CB 3.29Å; V262-A266 WeakPolarHBondContact O-CB 3.31Å; V262-A266 PolarHBondContact O-N 3.43Å; V262-Y299 HydrophobicContact CG1-CD2 4.32Å; V262-Y299 HydrophobicContact CG1-CE2 4.31Å; V262-A306 HydrophobicContact CG2-CB 4.44Å
263	A	95.8	Very high	94.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-42.3	176.9	0	0	0	0	0	111.9	P112 F117 G259 Q261 A266 L267	P112-A263 HydrophobicContact CB-CB 4.36Å; F117-A263 HydrophobicContact CD1-CB 3.95Å; F117-A263 HydrophobicContact CE1-CB 4.46Å; F117-A263 HydrophobicContact CG-CB 4.42Å; G259-A263 WeakPolarHBondContact O-CB 3.31Å; G259-A263 PolarHBondContact O-N 3.15Å; Q261-A263 VanDerWaalsContact C-N 3.32Å; Q261-A263 PolarHBondContact O-N 3.29Å; A263-A266 PolarHBondContact O-N 2.96Å; A263-L267 VanDerWaalsContact O-CG 3.26Å; A263-L267 WeakPolarHBondContact O-CG 3.36Å; A263-L267 PolarHBondContact O-N 3.39Å
264	T	94.7	Very high	94.3	Very high	44 Å²	44	36.7 Å²	36.7	27%	0.27	20%	0.195	S	C	.	.	H	α-helix	trans	-63.5	-46.5	179.6	-59.2	0	0	0	0	111.5	H260 Q261 L267 V268	H260-T264 PolarHBondContact CE1-OG1 2.83Å; H260-T264 PolarHBondContact ND1-OG1 3.22Å; H260-T264 WeakPolarHBondContact O-CB 3.32Å; H260-T264 PolarHBondContact O-N 3.46Å; H260-T264 PolarHBondContact O-OG1 3.05Å; Q261-T264 PolarHBondContact O-N 3.15Å; Q261-T264 VanDerWaalsContact O-N 3.09Å; T264-L267 PolarHBondContact O-N 3.21Å; T264-V268 PolarHBondContact O-N 3.34Å
265	D	93.3	Very high	94.4	Very high	85 Å²	85	45.2 Å²	45.2	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-42.9	179.6	-66.4	-21.6	0	0	0	111	Q261 L267 V268 V269	Q261-D265 PolarHBondContact NE2-OD1 3.11Å; Q261-D265 PolarHBondContact NE2-OD2 2.73Å; Q261-D265 VanDerWaalsContact O-CG 3.28Å; Q261-D265 PolarHBondContact O-N 3.43Å; D265-L267 PolarHBondContact O-N 3.34Å; D265-V268 PolarHBondContact O-N 2.58Å; D265-V269 PolarHBondContact O-N 3.31Å
266	A	95.7	Very high	94.5	Very high	12 Å²	12	51.8 Å²	51.8	10%	0.099	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-42.3	177	0	0	0	0	0	112.3	P112 V262 A263 V268 V269 M270 Y299	P112-A266 HydrophobicContact CG-CB 3.68Å; V262-A266 VanDerWaalsContact O-CB 3.29Å; V262-A266 WeakPolarHBondContact O-CB 3.31Å; V262-A266 PolarHBondContact O-N 3.43Å; A263-A266 PolarHBondContact O-N 2.96Å; A266-V268 VanDerWaalsContact C-N 3.31Å; A266-V268 PolarHBondContact O-N 3.01Å; A266-V269 PolarHBondContact O-N 3.18Å; A266-M270 HydrophobicContact CB-CE 4.39Å; A266-M270 WeakPolarHBondContact O-CB 3.21Å; A266-M270 WeakPolarHBondContact O-CG 3.31Å; A266-M270 PolarHBondContact O-N 2.9Å; A266-Y299 HydrophobicContact CB-CD2 3.41Å; A266-Y299 VanDerWaalsContact CB-CD2 3.41Å; A266-Y299 HydrophobicContact CB-CE2 4.13Å; A266-Y299 HydrophobicContact CB-CG 3.97Å
267	L	95.4	Very high	94.7	Very high	13 Å²	13	52 Å²	52	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-57.7	-42.5	178.2	-73.7	168.8	0	0	0	112	Y91 P112 F117 A263 T264 D265 V269 M270 E271 A287	Y91-L267 HydrophobicContact CE1-CD1 3.79Å; Y91-L267 HydrophobicContact CE1-CD2 3.95Å; P112-L267 HydrophobicContact CB-CD2 4.18Å; P112-L267 HydrophobicContact CB-CG 4.2Å; P112-L267 HydrophobicContact CG-CD2 4.3Å; P112-L267 HydrophobicContact CG-CG 4.41Å; F117-L267 HydrophobicContact CE1-CD1 3.99Å; F117-L267 HydrophobicContact CZ-CD1 3.71Å; A263-L267 VanDerWaalsContact O-CG 3.26Å; A263-L267 WeakPolarHBondContact O-CG 3.36Å; A263-L267 PolarHBondContact O-N 3.39Å; T264-L267 PolarHBondContact O-N 3.21Å; D265-L267 PolarHBondContact O-N 3.34Å; L267-V269 VanDerWaalsContact C-N 3.35Å; L267-V269 PolarHBondContact O-N 3.11Å; L267-M270 PolarHBondContact O-N 2.77Å; L267-E271 WeakPolarHBondContact O-CG 3.4Å; L267-E271 PolarHBondContact O-N 2.92Å; L267-A287 HydrophobicContact CD2-CB 3.83Å
268	V	94.2	Very high	95.1	Very high	81 Å²	81	56.1 Å²	56.1	49%	0.491	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-41.8	179.3	175.3	0	0	0	0	111.6	T264 D265 A266	T264-V268 PolarHBondContact O-N 3.34Å; D265-V268 PolarHBondContact O-N 2.58Å; A266-V268 VanDerWaalsContact C-N 3.31Å; A266-V268 PolarHBondContact O-N 3.01Å
269	V	95.2	Very high	95.2	Very high	71 Å²	71	56.6 Å²	56.6	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-72.4	-40.8	179.4	-179.8	0	0	0	0	110.7	D265 A266 L267 K272 A273 E295	D265-V269 PolarHBondContact O-N 3.31Å; A266-V269 PolarHBondContact O-N 3.18Å; L267-V269 VanDerWaalsContact C-N 3.35Å; L267-V269 PolarHBondContact O-N 3.11Å; V269-K272 WeakPolarHBondContact O-CB 3.38Å; V269-K272 PolarHBondContact O-N 2.91Å; V269-K272 VanDerWaalsContact O-N 3.14Å; V269-A273 PolarHBondContact O-N 2.95Å; V269-E295 HydrophobicContact CG1-CB 4.09Å; V269-E295 HydrophobicContact CG1-CG 3.49Å; V269-E295 VanDerWaalsContact CG1-CG 3.49Å
270	M	97.1	Very high	95.2	Very high	1 Å²	1	63 Å²	63	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-68.8	-34.3	-179.2	-70.5	-171.4	-176.1	0	0	113.1	I110 P112 A266 L267 K272 A273 M274 A289 Y299	I110-M270 HydrophobicContact CG2-CE 4.02Å; P112-M270 WeakPolarHBondContact CD-SD 3.32Å; P112-M270 HydrophobicContact CG-CE 4.04Å; P112-M270 HydrophobicContact CG-SD 3.73Å; A266-M270 HydrophobicContact CB-CE 4.39Å; A266-M270 WeakPolarHBondContact O-CB 3.21Å; A266-M270 WeakPolarHBondContact O-CG 3.31Å; A266-M270 PolarHBondContact O-N 2.9Å; L267-M270 PolarHBondContact O-N 2.77Å; M270-K272 PolarHBondContact O-N 2.9Å; M270-A273 PolarHBondContact O-N 2.79Å; M270-A273 VanDerWaalsContact O-N 3.09Å; M270-M274 VanDerWaalsContact O-CG 3.3Å; M270-M274 WeakPolarHBondContact O-CG 3.07Å; M270-M274 PolarHBondContact O-N 2.81Å; M270-A289 HydrophobicContact CE-CB 4.19Å; M270-A289 HydrophobicContact CG-CB 3.85Å; M270-A289 HydrophobicContact SD-CB 4.15Å; M270-Y299 VanDerWaalsContact CE-CB 3.45Å; M270-Y299 HydrophobicContact CE-CD1 3.75Å; M270-Y299 HydrophobicContact CE-CG 3.67Å
271	E	94.8	Very high	95.3	Very high	54 Å²	54	60.1 Å²	60.1	25%	0.252	30%	0.297	S	S	.	.	H	α-helix	trans	-57.1	-32.6	171.4	-78.9	-171.3	171.5	0	0	112.4	L267 R284 A287	L267-E271 WeakPolarHBondContact O-CG 3.4Å; L267-E271 PolarHBondContact O-N 2.92Å; E271-R284 VanDerWaalsContact CD-NH2 3.32Å; E271-R284 IonicContact OE1-CZ 3.43Å; E271-R284 VanDerWaalsContact OE1-CZ 3.27Å; E271-R284 IonicContact OE1-NE 3.63Å; E271-R284 PolarHBondContact OE1-NE 3.44Å; E271-R284 IonicContact OE1-NH2 2.78Å; E271-R284 PolarHBondContact OE1-NH2 3.37Å; E271-R284 IonicContact OE2-CZ 2.97Å; E271-R284 IonicContact OE2-NE 3.06Å; E271-R284 IonicContact OE2-NH2 3.46Å; E271-R284 PolarHBondContact OE2-NH2 3.23Å; E271-A287 HydrophobicContact CG-CB 4.11Å
272	K	95.4	Very high	95.4	Very high	147 Å²	147	59.6 Å²	59.6	64%	0.639	30%	0.296	S	S	*	.	H	α-helix	trans	-77	-42.4	174.1	-60.8	176.5	-176	174.8	0	111.4	V269 M270 M274 K275 R276	V269-K272 WeakPolarHBondContact O-CB 3.38Å; V269-K272 PolarHBondContact O-N 2.91Å; V269-K272 VanDerWaalsContact O-N 3.14Å; M270-K272 PolarHBondContact O-N 2.9Å; K272-M274 VanDerWaalsContact C-N 3.32Å; K272-M274 PolarHBondContact O-N 2.72Å; K272-K275 PolarHBondContact O-N 2.96Å; K272-R276 PolarHBondContact O-N 3.21Å; K272-R276 VanDerWaalsContact O-N 3.16Å
273	A	96.6	Very high	95.3	Very high	2 Å²	2	60.3 Å²	60.3	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-41	177.9	0	0	0	0	0	112.1	V269 M270 K275 R276 D277 A289 E295	V269-A273 PolarHBondContact O-N 2.95Å; M270-A273 PolarHBondContact O-N 2.79Å; M270-A273 VanDerWaalsContact O-N 3.09Å; A273-K275 VanDerWaalsContact C-N 3.33Å; A273-K275 PolarHBondContact O-N 2.81Å; A273-R276 WeakPolarHBondContact O-CB 3.17Å; A273-R276 PolarHBondContact O-N 2.72Å; A273-R276 VanDerWaalsContact O-N 3.16Å; A273-D277 WeakPolarHBondContact O-CB 3.22Å; A273-D277 PolarHBondContact O-N 2.74Å; A273-A289 HydrophobicContact CB-CB 4.21Å; A273-E295 HydrophobicContact CB-CB 4.49Å; A273-E295 HydrophobicContact CB-CG 4.09Å
274	M	97	Very high	95.2	Very high	20 Å²	20	68.8 Å²	68.8	10%	0.099	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-41.4	177.1	-68.7	172.4	71.1	0	0	113	M270 K272 D277 N278 I279 V281 A287 C288	M270-M274 VanDerWaalsContact O-CG 3.3Å; M270-M274 WeakPolarHBondContact O-CG 3.07Å; M270-M274 PolarHBondContact O-N 2.81Å; K272-M274 VanDerWaalsContact C-N 3.32Å; K272-M274 PolarHBondContact O-N 2.72Å; M274-D277 PolarHBondContact O-N 2.9Å; M274-N278 WeakPolarHBondContact O-CA 3.38Å; M274-N278 PolarHBondContact O-N 3.47Å; M274-I279 HydrophobicContact CB-CB 4.16Å; M274-I279 HydrophobicContact CE-CG2 4.22Å; M274-I279 HydrophobicContact CG-CB 4.16Å; M274-I279 HydrophobicContact CG-CG2 4.46Å; M274-I279 PolarHBondContact O-N 2.97Å; M274-V281 HydrophobicContact CE-CB 4.14Å; M274-V281 HydrophobicContact CE-CG1 3.57Å; M274-V281 HydrophobicContact CE-CG2 3.46Å; M274-V281 VanDerWaalsContact CE-CG2 3.46Å; M274-A287 WeakPolarHBondContact SD-CA 3.45Å; M274-A287 HydrophobicContact SD-CB 4.03Å; M274-C288 WeakPolarHBondContact CG-O 3.43Å; M274-C288 PolarHBondContact SD-N 2.86Å
275	K	95.4	Very high	95.2	Very high	179 Å²	179	68.5 Å²	68.5	78%	0.778	33%	0.327	S	S	*	.	H	α-helix	trans	-65.1	-40.9	176.6	-68.7	179.5	-177.5	178.9	0	111.2	K272 A273	K272-K275 PolarHBondContact O-N 2.96Å; A273-K275 VanDerWaalsContact C-N 3.33Å; A273-K275 PolarHBondContact O-N 2.81Å
276	R	96.1	Very high	95.4	Very high	138 Å²	138	64.5 Å²	64.5	52%	0.521	31%	0.306	S	S	.	.	H	α-helix	trans	-63.8	-46.2	176.1	-177.9	-166.1	68.1	-152	-8.9	111.7	K272 A273 N278 E295	K272-R276 PolarHBondContact O-N 3.21Å; K272-R276 VanDerWaalsContact O-N 3.16Å; A273-R276 WeakPolarHBondContact O-CB 3.17Å; A273-R276 PolarHBondContact O-N 2.72Å; A273-R276 VanDerWaalsContact O-N 3.16Å; R276-N278 VanDerWaalsContact C-N 3.31Å; R276-N278 PolarHBondContact O-N 3.19Å; R276-E295 IonicContact CZ-OE1 3.49Å; R276-E295 IonicContact CZ-OE2 3.73Å; R276-E295 IonicContact NH1-OE1 2.67Å; R276-E295 PolarHBondContact NH1-OE1 3.35Å; R276-E295 IonicContact NH1-OE2 3.55Å; R276-E295 IonicContact NH2-OE1 3.16Å; R276-E295 IonicContact NH2-OE2 2.71Å; R276-E295 PolarHBondContact NH2-OE2 3.11Å
277	D	95.9	Very high	95.4	Very high	45 Å²	45	63.9 Å²	63.9	24%	0.241	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	8.8	-171.6	-61.1	-18.3	0	0	0	113	A273 M274 I279	A273-D277 WeakPolarHBondContact O-CB 3.22Å; A273-D277 PolarHBondContact O-N 2.74Å; M274-D277 PolarHBondContact O-N 2.9Å; D277-I279 HydrophobicContact CB-CD1 4.12Å; D277-I279 HydrophobicContact CB-CG1 4.01Å; D277-I279 PolarHBondContact O-N 3.23Å
278	N	95.2	Very high	95.6	Very high	116 Å²	116	63.3 Å²	63.3	62%	0.62	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.1	179.8	-153.9	33.1	0	0	0	114	M274 R276 H280	M274-N278 WeakPolarHBondContact O-CA 3.38Å; M274-N278 PolarHBondContact O-N 3.47Å; R276-N278 VanDerWaalsContact C-N 3.31Å; R276-N278 PolarHBondContact O-N 3.19Å; N278-H280 PolarHBondContact O-N 3.43Å; N278-H280 PolarHBondContact O-ND1 3.07Å; N278-H280 PolarHBondContact OD1-CE1 2.93Å
279	I	96.2	Very high	95.7	Very high	11 Å²	11	59.4 Å²	59.4	6%	0.056	27%	0.274	C	S	.	.			trans	-81.7	114.3	178.5	-57.4	175	0	0	0	108.7	P75 V109 M274 D277 V281 R290	P75-I279 HydrophobicContact CG-CG2 4.23Å; V109-I279 HydrophobicContact CG1-CD1 4.39Å; M274-I279 HydrophobicContact CB-CB 4.16Å; M274-I279 HydrophobicContact CE-CG2 4.22Å; M274-I279 HydrophobicContact CG-CB 4.16Å; M274-I279 HydrophobicContact CG-CG2 4.46Å; M274-I279 PolarHBondContact O-N 2.97Å; D277-I279 HydrophobicContact CB-CD1 4.12Å; D277-I279 HydrophobicContact CB-CG1 4.01Å; D277-I279 PolarHBondContact O-N 3.23Å; I279-V281 HydrophobicContact CG2-CG1 4.25Å; I279-R290 HydrophobicContact CD1-CG 4.24Å
280	H	94.2	Very high	95.9	Very high	133 Å²	133	58.3 Å²	58.3	62%	0.616	26%	0.262	S	S	*	.			trans	-99.7	133	176.1	-63.8	84	0	0	0	110.2	N278	N278-H280 PolarHBondContact O-N 3.43Å; N278-H280 PolarHBondContact O-ND1 3.07Å; N278-H280 PolarHBondContact OD1-CE1 2.93Å
281	V	95.7	Very high	95.9	Very high	34 Å²	34	59.2 Å²	59.2	21%	0.206	27%	0.266	C	S	.	.			trans	-130.3	152.4	178.6	-63.2	0	0	0	0	110.1	L74 M274 I279 D283 L286	L74-V281 HydrophobicContact CD2-CG1 3.86Å; M274-V281 HydrophobicContact CE-CB 4.14Å; M274-V281 HydrophobicContact CE-CG1 3.57Å; M274-V281 HydrophobicContact CE-CG2 3.46Å; M274-V281 VanDerWaalsContact CE-CG2 3.46Å; I279-V281 HydrophobicContact CG2-CG1 4.25Å; V281-D283 VanDerWaalsContact C-N 3.25Å; V281-D283 WeakPolarHBondContact CG2-O 3.36Å; V281-D283 PolarHBondContact O-N 3.12Å; V281-L286 HydrophobicContact CB-CB 4.12Å; V281-L286 HydrophobicContact CG1-CB 4.23Å; V281-L286 HydrophobicContact CG2-CB 4.37Å
282	N	94.5	Very high	96	Very high	54 Å²	54	62.7 Å²	62.7	29%	0.289	28%	0.281	S	S	.	.	S	Bend	trans	-74.5	-14.9	179.3	-68.1	-20.1	0	0	0	113.7	V27 P28 N70 S73	V27-N282 WeakPolarHBondContact CG2-ND2 3.43Å; P28-N282 PolarHBondContact O-ND2 2.91Å; N70-N282 HydrophobicContact CB-CB 4.28Å; N70-N282 WeakPolarHBondContact OD1-CB 3.49Å; S73-N282 PolarHBondContact OG-ND2 3.07Å
283	D	94.1	Very high	96.1	Very high	26 Å²	26	56.6 Å²	56.6	14%	0.139	26%	0.256	C	S	.	.	S	Bend	trans	-143.7	130.8	179.9	-171.5	-28.3	0	0	0	109.5	L62 V281 Q285 L286	L62-D283 HydrophobicContact CD1-CB 4.37Å; L62-D283 VanDerWaalsContact CD1-OD2 3.23Å; L62-D283 WeakPolarHBondContact CD1-OD2 3.14Å; V281-D283 VanDerWaalsContact C-N 3.25Å; V281-D283 WeakPolarHBondContact CG2-O 3.36Å; V281-D283 PolarHBondContact O-N 3.12Å; D283-Q285 PolarHBondContact O-N 3.04Å; D283-Q285 VanDerWaalsContact O-N 3.14Å; D283-Q285 WeakPolarHBondContact OD1-CB 3.32Å; D283-Q285 WeakPolarHBondContact OD1-CG 3.46Å; D283-Q285 PolarHBondContact OD1-N 3.44Å; D283-L286 HydrophobicContact CB-CD1 4.44Å; D283-L286 HydrophobicContact CB-CG 4.35Å; D283-L286 WeakPolarHBondContact O-CB 3.34Å; D283-L286 PolarHBondContact O-N 2.89Å
284	R	92.8	Very high	96.2	Very high	178 Å²	178	62.2 Å²	62.2	67%	0.672	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-55.6	-30.5	176.6	-179	179.9	171.8	177.5	1.2	112.4	E271 L286 A287	E271-R284 VanDerWaalsContact CD-NH2 3.32Å; E271-R284 IonicContact OE1-CZ 3.43Å; E271-R284 VanDerWaalsContact OE1-CZ 3.27Å; E271-R284 IonicContact OE1-NE 3.63Å; E271-R284 PolarHBondContact OE1-NE 3.44Å; E271-R284 IonicContact OE1-NH2 2.78Å; E271-R284 PolarHBondContact OE1-NH2 3.37Å; E271-R284 IonicContact OE2-CZ 2.97Å; E271-R284 IonicContact OE2-NE 3.06Å; E271-R284 IonicContact OE2-NH2 3.46Å; E271-R284 PolarHBondContact OE2-NH2 3.23Å; R284-L286 PolarHBondContact O-N 2.8Å; R284-A287 PolarHBondContact O-N 2.74Å
285	Q	94.9	Very high	96.2	Very high	39 Å²	39	63 Å²	63	18%	0.182	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-69.5	-9.4	178.1	-59.4	-176.7	-10.5	0	0	113.4	Y91 G92 D283 A287	Y91-Q285 HydrophobicContact CD1-CB 4.05Å; Y91-Q285 HydrophobicContact CD2-CB 4.34Å; Y91-Q285 HydrophobicContact CD2-CG 4.06Å; Y91-Q285 HydrophobicContact CE1-CB 3.86Å; Y91-Q285 HydrophobicContact CE1-CG 4.35Å; Y91-Q285 WeakPolarHBondContact CE1-O 3.08Å; Y91-Q285 HydrophobicContact CE2-CB 4.18Å; Y91-Q285 HydrophobicContact CE2-CG 3.77Å; Y91-Q285 HydrophobicContact CG-CB 4.28Å; Y91-Q285 HydrophobicContact CG-CG 4.48Å; G92-Q285 WeakPolarHBondContact CA-O 3.13Å; G92-Q285 VanDerWaalsContact N-CB 3.34Å; G92-Q285 VanDerWaalsContact N-OE1 3.08Å; D283-Q285 PolarHBondContact O-N 3.04Å; D283-Q285 VanDerWaalsContact O-N 3.14Å; D283-Q285 WeakPolarHBondContact OD1-CB 3.32Å; D283-Q285 WeakPolarHBondContact OD1-CG 3.46Å; D283-Q285 PolarHBondContact OD1-N 3.44Å; Q285-A287 PolarHBondContact O-N 3.37Å
286	L	96.6	Very high	96.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-86.2	30.6	169.5	-68	177.9	0	0	0	112.7	N70 V71 L74 G92 F93 V281 D283 R284 C288	N70-L286 HydrophobicContact CB-CD1 3.59Å; V71-L286 HydrophobicContact CG2-CD2 3.87Å; L74-L286 HydrophobicContact CD1-CD2 4.48Å; L74-L286 HydrophobicContact CD2-CB 4.32Å; L74-L286 HydrophobicContact CD2-CD1 4.5Å; G92-L286 VanDerWaalsContact C-CD2 3.47Å; F93-L286 HydrophobicContact CD2-CD2 3.44Å; F93-L286 VanDerWaalsContact CD2-CD2 3.44Å; F93-L286 HydrophobicContact CE2-CD2 3.58Å; F93-L286 HydrophobicContact CG-CD2 4.45Å; V281-L286 HydrophobicContact CB-CB 4.12Å; V281-L286 HydrophobicContact CG1-CB 4.23Å; V281-L286 HydrophobicContact CG2-CB 4.37Å; D283-L286 HydrophobicContact CB-CD1 4.44Å; D283-L286 HydrophobicContact CB-CG 4.35Å; D283-L286 WeakPolarHBondContact O-CB 3.34Å; D283-L286 PolarHBondContact O-N 2.89Å; R284-L286 PolarHBondContact O-N 2.8Å; L286-C288 PolarHBondContact O-N 3.21Å
287	A	97.1	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.239	C	C	.	.			trans	-55.3	132.1	176.7	0	0	0	0	0	111	S111 L267 E271 M274 R284 Q285	S111-A287 PolarHBondContact OG-O 3.46Å; L267-A287 HydrophobicContact CD2-CB 3.83Å; E271-A287 HydrophobicContact CG-CB 4.11Å; M274-A287 WeakPolarHBondContact SD-CA 3.45Å; M274-A287 HydrophobicContact SD-CB 4.03Å; R284-A287 PolarHBondContact O-N 2.74Å; Q285-A287 PolarHBondContact O-N 3.37Å
288	C	97.9	Very high	96.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.238	C	C	.	.			trans	-153.8	164.2	-173.3	58.4	0	0	0	0	111.5	V109 I110 M274 L286	V109-C288 HydrophobicContact CB-CB 4.09Å; V109-C288 HydrophobicContact CG2-CB 4.36Å; I110-C288 VanDerWaalsContact O-CA 3.29Å; I110-C288 WeakPolarHBondContact O-CA 3.45Å; I110-C288 VanDerWaalsContact O-CB 3.27Å; I110-C288 WeakPolarHBondContact O-CB 3.46Å; M274-C288 WeakPolarHBondContact CG-O 3.43Å; M274-C288 PolarHBondContact SD-N 2.86Å; L286-C288 PolarHBondContact O-N 3.21Å
289	A	98.2	Very high	96.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	161	168.7	0	0	0	0	0	109.8	V109 I110 M270 A273 F291 E295	V109-A289 CarbonylContact C-O 3.58Å; V109-A289 WeakPolarHBondContact CA-O 3.11Å; V109-A289 WeakPolarHBondContact CB-O 3.43Å; I110-A289 PolarHBondContact N-O 3.31Å; I110-A289 PolarHBondContact O-N 2.96Å; I110-A289 VanDerWaalsContact O-N 3.1Å; M270-A289 HydrophobicContact CE-CB 4.19Å; M270-A289 HydrophobicContact CG-CB 3.85Å; M270-A289 HydrophobicContact SD-CB 4.15Å; A273-A289 HydrophobicContact CB-CB 4.21Å; A289-F291 PolarHBondContact O-N 3.28Å; A289-E295 HydrophobicContact CB-CB 3.97Å
290	R	98.2	Very high	96.6	Very high	47 Å²	47	45.7 Å²	45.7	18%	0.177	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	137.9	170.4	-60.1	-62.5	-176.1	-174.7	1.8	109.2	L107 A108 I279 K292 S293	L107-R290 VanDerWaalsContact CA-NH1 3.25Å; L107-R290 PolarHBondContact O-NH1 2.94Å; A108-R290 CarbonylContact O-C 3.54Å; A108-R290 WeakPolarHBondContact O-CA 3.26Å; I279-R290 HydrophobicContact CD1-CG 4.24Å; R290-K292 VanDerWaalsContact C-N 3.26Å; R290-K292 PolarHBondContact O-N 3.35Å; R290-S293 PolarHBondContact O-N 3.07Å; R290-S293 PolarHBondContact O-OG 3.14Å
291	F	97.9	Very high	96.7	Very high	20 Å²	20	42.8 Å²	42.8	9%	0.088	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-44	-175.9	179.3	-94.8	0	0	0	111.9	V103 A108 A289 Q297 L300 I351 C364	V103-F291 HydrophobicContact CB-CD1 4.04Å; V103-F291 HydrophobicContact CB-CE1 3.69Å; V103-F291 HydrophobicContact CB-CZ 4.11Å; V103-F291 HydrophobicContact CG1-CD1 4.33Å; V103-F291 HydrophobicContact CG1-CE1 3.8Å; V103-F291 HydrophobicContact CG1-CE2 4.08Å; V103-F291 HydrophobicContact CG1-CZ 3.67Å; A108-F291 HydrophobicContact CB-CB 4.22Å; A108-F291 PolarHBondContact O-N 3.42Å; A289-F291 PolarHBondContact O-N 3.28Å; F291-Q297 PolarHBondContact O-NE2 3.36Å; F291-L300 HydrophobicContact CD2-CD1 4.08Å; F291-L300 HydrophobicContact CE2-CD1 3.5Å; F291-L300 HydrophobicContact CZ-CD1 3.86Å; F291-I351 HydrophobicContact CE2-CD1 3.59Å; F291-I351 HydrophobicContact CZ-CD1 3.55Å; F291-I351 HydrophobicContact CZ-CG1 4.48Å; F291-C364 HydrophobicContact CD2-CB 4.08Å; F291-C364 HydrophobicContact CE2-CB 3.78Å
292	K	97.1	Very high	96.8	Very high	127 Å²	127	41.2 Å²	41.2	55%	0.552	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	0.7	-179.2	-64.9	-176.6	169.2	158.5	0	114.4	V103 D104 R290	V103-K292 WeakPolarHBondContact O-CE 3.22Å; V103-K292 PolarHBondContact O-NZ 3.04Å; V103-K292 VanDerWaalsContact O-NZ 3.14Å; D104-K292 IonicContact OD1-NZ 3.56Å; D104-K292 PolarHBondContact OD1-NZ 3.21Å; R290-K292 VanDerWaalsContact C-N 3.26Å; R290-K292 PolarHBondContact O-N 3.35Å
293	S	97.5	Very high	97	Very high	19 Å²	19	38.6 Å²	38.6	13%	0.133	17%	0.172	C	C	.	.	S	Bend	trans	-75.3	163.3	177.1	86.8	0	0	0	0	111.8	R290 E295 G296 Q297	R290-S293 PolarHBondContact O-N 3.07Å; R290-S293 PolarHBondContact O-OG 3.14Å; S293-E295 VanDerWaalsContact C-N 3.27Å; S293-E295 VanDerWaalsContact CB-OE2 3.29Å; S293-E295 WeakPolarHBondContact CB-OE2 3.42Å; S293-E295 PolarHBondContact O-N 3.47Å; S293-E295 PolarHBondContact OG-N 3.49Å; S293-E295 PolarHBondContact OG-OE2 2.9Å; S293-G296 PolarHBondContact O-N 2.83Å; S293-G296 PolarHBondContact OG-N 3.03Å; S293-Q297 WeakPolarHBondContact O-CG 3.01Å; S293-Q297 PolarHBondContact O-N 2.85Å
294	Q	97.1	Very high	97.2	Very high	121 Å²	121	37.4 Å²	37.4	57%	0.565	17%	0.165	S	C	*	.	H	α-helix	trans	-57.3	-42.7	175.8	-173.8	63.4	50.9	0	0	111.5	Q297 D298	Q294-Q297 PolarHBondContact O-N 3.05Å; Q294-D298 PolarHBondContact NE2-OD1 3.24Å; Q294-D298 VanDerWaalsContact O-CB 3.25Å; Q294-D298 WeakPolarHBondContact O-CB 3.19Å; Q294-D298 VanDerWaalsContact O-CG 3.28Å; Q294-D298 PolarHBondContact O-N 3.37Å
295	E	96.9	Very high	97.4	Very high	37 Å²	37	28.9 Å²	28.9	17%	0.173	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-40.2	179.2	-55.6	81.1	-176.6	0	0	112	V269 A273 R276 A289 S293 Y299	V269-E295 HydrophobicContact CG1-CB 4.09Å; V269-E295 HydrophobicContact CG1-CG 3.49Å; V269-E295 VanDerWaalsContact CG1-CG 3.49Å; A273-E295 HydrophobicContact CB-CB 4.49Å; A273-E295 HydrophobicContact CB-CG 4.09Å; R276-E295 IonicContact CZ-OE1 3.49Å; R276-E295 IonicContact CZ-OE2 3.73Å; R276-E295 IonicContact NH1-OE1 2.67Å; R276-E295 PolarHBondContact NH1-OE1 3.35Å; R276-E295 IonicContact NH1-OE2 3.55Å; R276-E295 IonicContact NH2-OE1 3.16Å; R276-E295 IonicContact NH2-OE2 2.71Å; R276-E295 PolarHBondContact NH2-OE2 3.11Å; A289-E295 HydrophobicContact CB-CB 3.97Å; S293-E295 VanDerWaalsContact C-N 3.27Å; S293-E295 VanDerWaalsContact CB-OE2 3.29Å; S293-E295 WeakPolarHBondContact CB-OE2 3.42Å; S293-E295 PolarHBondContact O-N 3.47Å; S293-E295 PolarHBondContact OG-N 3.49Å; S293-E295 PolarHBondContact OG-OE2 2.9Å; E295-Y299 WeakPolarHBondContact O-CB 3.42Å; E295-Y299 PolarHBondContact O-N 3.3Å
296	G	97.6	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65	-45.7	176.8	0	0	0	0	0	112.2	I110 S293 Y299 L300	I110-G296 VanDerWaalsContact CG2-CA 3.46Å; S293-G296 PolarHBondContact O-N 2.83Å; S293-G296 PolarHBondContact OG-N 3.03Å; G296-Y299 PolarHBondContact O-N 3.34Å; G296-L300 WeakPolarHBondContact O-CG 3.44Å; G296-L300 PolarHBondContact O-N 2.82Å
297	Q	97.7	Very high	97.6	Very high	65 Å²	65	27 Å²	27	30%	0.304	13%	0.125	S	C	.	.	H	α-helix	trans	-68.5	-40.3	178.2	-67.3	-61.3	-54	0	0	112.4	F291 S293 Q294 Y299 L300 K301	F291-Q297 PolarHBondContact O-NE2 3.36Å; S293-Q297 WeakPolarHBondContact O-CG 3.01Å; S293-Q297 PolarHBondContact O-N 2.85Å; Q294-Q297 PolarHBondContact O-N 3.05Å; Q297-Y299 VanDerWaalsContact C-N 3.34Å; Q297-Y299 PolarHBondContact O-N 3.48Å; Q297-L300 PolarHBondContact O-N 3.39Å; Q297-K301 VanDerWaalsContact O-CG 3.29Å; Q297-K301 WeakPolarHBondContact O-CG 3.39Å; Q297-K301 PolarHBondContact O-N 2.84Å
298	D	97.2	Very high	97.6	Very high	41 Å²	41	27 Å²	27	22%	0.219	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-42.7	175.6	-81.9	-0.4	0	0	0	111.6	K205 Q294 K301 G302	K205-D298 HydrophobicContact CD-CB 4.33Å; K205-D298 WeakPolarHBondContact CE-OD1 3.4Å; K205-D298 IonicContact NZ-OD1 3.14Å; K205-D298 PolarHBondContact NZ-OD1 2.74Å; K205-D298 VanDerWaalsContact NZ-OD1 3.14Å; K205-D298 IonicContact NZ-OD2 2.82Å; K205-D298 PolarHBondContact NZ-OD2 3.35Å; Q294-D298 PolarHBondContact NE2-OD1 3.24Å; Q294-D298 VanDerWaalsContact O-CB 3.25Å; Q294-D298 WeakPolarHBondContact O-CB 3.19Å; Q294-D298 VanDerWaalsContact O-CG 3.28Å; Q294-D298 PolarHBondContact O-N 3.37Å; D298-K301 PolarHBondContact O-N 2.89Å; D298-G302 PolarHBondContact O-N 2.47Å
299	Y	97.6	Very high	97.5	Very high	8 Å²	8	27 Å²	27	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-63.7	-42.9	174.5	170.8	-113.2	0	0	0	112.1	I110 P112 V115 I119 V262 A266 M270 E295 G296 Q297 K301 G302 M303	I110-Y299 HydrophobicContact CD1-CE1 4.39Å; I110-Y299 HydrophobicContact CG1-CD1 3.58Å; I110-Y299 HydrophobicContact CG1-CE1 3.7Å; I110-Y299 HydrophobicContact CG2-CD1 4.37Å; P112-Y299 WeakPolarHBondContact CA-OH 3.31Å; P112-Y299 HydrophobicContact CB-CE1 4.45Å; P112-Y299 HydrophobicContact CB-CE2 3.95Å; P112-Y299 HydrophobicContact CG-CD1 4.29Å; P112-Y299 HydrophobicContact CG-CD2 4.07Å; P112-Y299 HydrophobicContact CG-CE1 4.09Å; P112-Y299 HydrophobicContact CG-CE2 3.86Å; P112-Y299 HydrophobicContact CG-CG 4.29Å; V115-Y299 VanDerWaalsContact CB-OH 3.31Å; V115-Y299 WeakPolarHBondContact CB-OH 3.41Å; V115-Y299 HydrophobicContact CG2-CE1 4.44Å; V115-Y299 VanDerWaalsContact CG2-OH 3.27Å; V115-Y299 WeakPolarHBondContact CG2-OH 3.27Å; I119-Y299 HydrophobicContact CD1-CE2 4.4Å; V262-Y299 HydrophobicContact CG1-CD2 4.32Å; V262-Y299 HydrophobicContact CG1-CE2 4.31Å; A266-Y299 HydrophobicContact CB-CD2 3.41Å; A266-Y299 VanDerWaalsContact CB-CD2 3.41Å; A266-Y299 HydrophobicContact CB-CE2 4.13Å; A266-Y299 HydrophobicContact CB-CG 3.97Å; M270-Y299 VanDerWaalsContact CE-CB 3.45Å; M270-Y299 HydrophobicContact CE-CD1 3.75Å; M270-Y299 HydrophobicContact CE-CG 3.67Å; E295-Y299 WeakPolarHBondContact O-CB 3.42Å; E295-Y299 PolarHBondContact O-N 3.3Å; G296-Y299 PolarHBondContact O-N 3.34Å; Q297-Y299 VanDerWaalsContact C-N 3.34Å; Q297-Y299 PolarHBondContact O-N 3.48Å; Y299-K301 VanDerWaalsContact C-N 3.32Å; Y299-K301 PolarHBondContact O-N 2.99Å; Y299-G302 PolarHBondContact O-N 2.62Å; Y299-M303 HydrophobicContact CE1-SD 4.41Å; Y299-M303 HydrophobicContact CE2-CB 4.16Å; Y299-M303 WeakPolarHBondContact O-CB 3.27Å; Y299-M303 PolarHBondContact O-N 2.78Å
300	L	97.7	Very high	97.4	Very high	10 Å²	10	27 Å²	27	5%	0.052	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-42.1	177.5	-81.8	168.4	0	0	0	112.5	I110 F291 G296 Q297 M303 A304	I110-L300 HydrophobicContact CD1-CD2 3.75Å; I110-L300 HydrophobicContact CD1-CG 4.29Å; I110-L300 HydrophobicContact CG1-CD2 4.27Å; I110-L300 HydrophobicContact CG1-CG 4.31Å; F291-L300 HydrophobicContact CD2-CD1 4.08Å; F291-L300 HydrophobicContact CE2-CD1 3.5Å; F291-L300 HydrophobicContact CZ-CD1 3.86Å; G296-L300 WeakPolarHBondContact O-CG 3.44Å; G296-L300 PolarHBondContact O-N 2.82Å; Q297-L300 PolarHBondContact O-N 3.39Å; L300-M303 HydrophobicContact CD2-CE 3.92Å; L300-A304 WeakPolarHBondContact O-CB 3.11Å; L300-A304 PolarHBondContact O-N 3.31Å
301	K	97.6	Very high	97.4	Very high	72 Å²	72	24.8 Å²	24.8	31%	0.313	12%	0.116	S	C	.	.	H	α-helix	trans	-68.2	-42.1	177.5	-64.9	173.1	176.5	-176.9	0	112.3	Q200 D202 K205 Q297 D298 Y299 A304 A305	Q200-K301 WeakPolarHBondContact O-CG 3.3Å; D202-K301 HydrophobicContact CB-CB 3.67Å; D202-K301 HydrophobicContact CB-CD 4.06Å; D202-K301 HydrophobicContact CB-CG 4.31Å; D202-K301 PolarHBondContact N-O 2.92Å; K205-K301 HydrophobicContact CG-CB 4.4Å; Q297-K301 VanDerWaalsContact O-CG 3.29Å; Q297-K301 WeakPolarHBondContact O-CG 3.39Å; Q297-K301 PolarHBondContact O-N 2.84Å; D298-K301 PolarHBondContact O-N 2.89Å; Y299-K301 VanDerWaalsContact C-N 3.32Å; Y299-K301 PolarHBondContact O-N 2.99Å; K301-A304 PolarHBondContact O-N 3.04Å; K301-A305 PolarHBondContact O-N 3.33Å
302	G	97.1	Very high	97.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-66.5	-38.9	174.3	0	0	0	0	0	112.9	S206 D298 Y299 A305 A306	S206-G302 PolarHBondContact OG-O 3.46Å; D298-G302 PolarHBondContact O-N 2.47Å; Y299-G302 PolarHBondContact O-N 2.62Å; G302-A305 PolarHBondContact O-N 3.41Å; G302-A306 PolarHBondContact O-N 2.91Å
303	M	97.8	Very high	97.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-42.9	173.7	-179.9	-160.3	72.4	0	0	110.9	V115 I119 M198 Y299 L300 A306 A307 I348 A349	V115-M303 HydrophobicContact CG1-CG 4.45Å; V115-M303 HydrophobicContact CG1-SD 4.18Å; V115-M303 HydrophobicContact CG2-SD 3.86Å; I119-M303 HydrophobicContact CD1-CB 4.25Å; I119-M303 HydrophobicContact CD1-CG 4.13Å; I119-M303 HydrophobicContact CG2-CG 3.61Å; M198-M303 HydrophobicContact CE-CE 3.85Å; Y299-M303 HydrophobicContact CE1-SD 4.41Å; Y299-M303 HydrophobicContact CE2-CB 4.16Å; Y299-M303 WeakPolarHBondContact O-CB 3.27Å; Y299-M303 PolarHBondContact O-N 2.78Å; L300-M303 HydrophobicContact CD2-CE 3.92Å; M303-A306 PolarHBondContact O-N 3.34Å; M303-A307 WeakPolarHBondContact O-CB 2.89Å; M303-A307 PolarHBondContact O-N 3.09Å; M303-I348 HydrophobicContact CE-CD1 4.43Å; M303-I348 HydrophobicContact CG-CD1 4.44Å; M303-I348 HydrophobicContact SD-CD1 4.42Å; M303-A349 HydrophobicContact CE-CB 4.13Å; M303-A349 WeakPolarHBondContact CE-O 3.34Å; M303-A349 HydrophobicContact SD-CB 3.81Å
304	A	98.2	Very high	97.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.9	-42.3	175	0	0	0	0	0	112	M198 Q200 A201 L300 K301 A307 N308	M198-A304 HydrophobicContact CB-CB 3.7Å; M198-A304 HydrophobicContact CE-CB 4.1Å; M198-A304 HydrophobicContact SD-CB 4.32Å; Q200-A304 HydrophobicContact CG-CB 3.8Å; A201-A304 HydrophobicContact CB-CB 3.99Å; L300-A304 WeakPolarHBondContact O-CB 3.11Å; L300-A304 PolarHBondContact O-N 3.31Å; K301-A304 PolarHBondContact O-N 3.04Å; A304-A307 WeakPolarHBondContact O-CB 3.45Å; A304-A307 PolarHBondContact O-N 3.17Å; A304-N308 VanDerWaalsContact O-CG 3.26Å; A304-N308 PolarHBondContact O-N 3.12Å; A304-N308 PolarHBondContact O-OD1 3.29Å
305	A	97.4	Very high	97.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.7	-45.4	173.9	0	0	0	0	0	112.3	L171 A201 K301 G302 A307 N308 F309	L171-A305 HydrophobicContact CB-CB 4.16Å; L171-A305 HydrophobicContact CD1-CB 4.49Å; A201-A305 HydrophobicContact CB-CB 4.12Å; K301-A305 PolarHBondContact O-N 3.33Å; G302-A305 PolarHBondContact O-N 3.41Å; A305-A307 VanDerWaalsContact C-N 3.3Å; A305-A307 PolarHBondContact O-N 3.37Å; A305-N308 PolarHBondContact O-N 3.49Å; A305-F309 PolarHBondContact O-N 3.25Å
306	A	96.9	Very high	97	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63.8	-35.8	174.6	0	0	0	0	0	112.4	I119 S255 L258 V262 G302 M303 F309 A310	I119-A306 HydrophobicContact CB-CB 4.06Å; I119-A306 HydrophobicContact CD1-CB 4.12Å; I119-A306 HydrophobicContact CG2-CB 3.98Å; S255-A306 VanDerWaalsContact CB-O 3.25Å; S255-A306 WeakPolarHBondContact CB-O 3.38Å; L258-A306 HydrophobicContact CD2-CB 4.43Å; L258-A306 HydrophobicContact CG-CB 4.39Å; V262-A306 HydrophobicContact CG2-CB 4.44Å; G302-A306 PolarHBondContact O-N 2.91Å; M303-A306 PolarHBondContact O-N 3.34Å; A306-F309 PolarHBondContact O-N 2.97Å; A306-A310 PolarHBondContact O-N 2.77Å; A306-A310 VanDerWaalsContact O-N 3.08Å
307	A	98	Very high	96.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.2	-45.1	175.2	0	0	0	0	0	111.8	I119 N120 M198 M303 A304 A305 F309 A310 W311 I348	I119-A307 HydrophobicContact CG2-CB 4.45Å; N120-A307 HydrophobicContact CB-CB 3.79Å; N120-A307 PolarHBondContact ND2-O 3.11Å; M198-A307 HydrophobicContact SD-CB 3.74Å; M303-A307 WeakPolarHBondContact O-CB 2.89Å; M303-A307 PolarHBondContact O-N 3.09Å; A304-A307 WeakPolarHBondContact O-CB 3.45Å; A304-A307 PolarHBondContact O-N 3.17Å; A305-A307 VanDerWaalsContact C-N 3.3Å; A305-A307 PolarHBondContact O-N 3.37Å; A307-F309 VanDerWaalsContact C-N 3.32Å; A307-F309 PolarHBondContact O-N 3.46Å; A307-A310 WeakPolarHBondContact O-CB 3.42Å; A307-A310 PolarHBondContact O-N 2.96Å; A307-A310 VanDerWaalsContact O-N 3.11Å; A307-W311 HydrophobicContact CB-CE3 4.36Å; A307-W311 HydrophobicContact CB-CH2 4.19Å; A307-W311 HydrophobicContact CB-CZ3 3.78Å; A307-W311 VanDerWaalsContact O-CE3 3.23Å; A307-W311 PolarHBondContact O-N 3.4Å; A307-W311 VanDerWaalsContact O-N 3.1Å; A307-I348 HydrophobicContact CB-CD1 3.77Å
308	N	97.8	Very high	96.8	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-55.9	-46.4	173.8	-70.6	-4.4	0	0	0	111.5	L171 R197 M198 A201 A304 A305 A310 W311 V312	L171-N308 WeakPolarHBondContact O-CB 3.26Å; L171-N308 PolarHBondContact O-ND2 3.04Å; R197-N308 WeakPolarHBondContact CA-OD1 3.37Å; M198-N308 PolarHBondContact N-OD1 3Å; M198-N308 PolarHBondContact O-ND2 3.35Å; M198-N308 VanDerWaalsContact O-ND2 3.09Å; A201-N308 VanDerWaalsContact CB-ND2 3.26Å; A201-N308 WeakPolarHBondContact CB-ND2 3.47Å; A304-N308 VanDerWaalsContact O-CG 3.26Å; A304-N308 PolarHBondContact O-N 3.12Å; A304-N308 PolarHBondContact O-OD1 3.29Å; A305-N308 PolarHBondContact O-N 3.49Å; N308-A310 VanDerWaalsContact C-N 3.32Å; N308-A310 PolarHBondContact O-N 3.46Å; N308-W311 PolarHBondContact O-N 3.23Å; N308-V312 WeakPolarHBondContact O-CG2 3.41Å; N308-V312 PolarHBondContact O-N 3.23Å
309	F	95.8	Very high	96.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-58.1	-41.9	175	-175.8	-98.8	0	0	0	113.1	F167 L171 L210 L212 S255 R256 L258 A305 A306 A307 V312 N313	F167-F309 HydrophobicContact CD2-CD2 4.27Å; F167-F309 AromaticContact CD2-CE2 3.96Å; F167-F309 HydrophobicContact CD2-CE2 3.96Å; F167-F309 AromaticContact CE2-CD2 3.76Å; F167-F309 HydrophobicContact CE2-CD2 3.76Å; F167-F309 AromaticContact CE2-CE2 3.55Å; F167-F309 HydrophobicContact CE2-CE2 3.55Å; F167-F309 HydrophobicContact CE2-CZ 4.41Å; L171-F309 HydrophobicContact CD2-CB 3.68Å; L171-F309 HydrophobicContact CD2-CD2 4.02Å; L171-F309 HydrophobicContact CD2-CG 4.21Å; L210-F309 HydrophobicContact CB-CE1 4.35Å; L210-F309 HydrophobicContact CB-CE2 4.25Å; L210-F309 HydrophobicContact CB-CZ 3.7Å; L210-F309 HydrophobicContact CD1-CE1 4.19Å; L210-F309 HydrophobicContact CD1-CZ 4.35Å; L212-F309 HydrophobicContact CD2-CD2 3.8Å; L212-F309 HydrophobicContact CD2-CE2 3.31Å; L212-F309 HydrophobicContact CD2-CZ 3.74Å; L212-F309 HydrophobicContact CG-CE2 4.11Å; S255-F309 WeakPolarHBondContact O-CD1 3.4Å; R256-F309 HydrophobicContact CB-CE1 4.3Å; R256-F309 HydrophobicContact CG-CE1 4.05Å; L258-F309 HydrophobicContact CB-CD1 4.45Å; L258-F309 HydrophobicContact CD2-CB 3.67Å; L258-F309 HydrophobicContact CD2-CD1 4.1Å; L258-F309 HydrophobicContact CD2-CD2 4.26Å; L258-F309 HydrophobicContact CD2-CG 3.74Å; A305-F309 PolarHBondContact O-N 3.25Å; A306-F309 PolarHBondContact O-N 2.97Å; A307-F309 VanDerWaalsContact C-N 3.32Å; A307-F309 PolarHBondContact O-N 3.46Å; F309-V312 PolarHBondContact O-N 3.25Å; F309-N313 VanDerWaalsContact O-CB 3.31Å; F309-N313 WeakPolarHBondContact O-CB 3.45Å; F309-N313 PolarHBondContact O-N 3.23Å
310	A	96.7	Very high	96.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-65	-41.2	179.1	0	0	0	0	0	112.6	N120 A306 A307 N308 N313 R314	N120-A310 HydrophobicContact CB-CB 3.68Å; N120-A310 WeakPolarHBondContact O-CB 3.38Å; A306-A310 PolarHBondContact O-N 2.77Å; A306-A310 VanDerWaalsContact O-N 3.08Å; A307-A310 WeakPolarHBondContact O-CB 3.42Å; A307-A310 PolarHBondContact O-N 2.96Å; A307-A310 VanDerWaalsContact O-N 3.11Å; N308-A310 VanDerWaalsContact C-N 3.32Å; N308-A310 PolarHBondContact O-N 3.46Å; A310-N313 WeakPolarHBondContact O-CB 3.39Å; A310-N313 PolarHBondContact O-N 3.07Å; A310-R314 PolarHBondContact O-N 3.39Å
311	W	97.9	Very high	96.6	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64.9	-43.6	174.7	-76.1	-57	0	0	0	111.9	M175 E193 E194 G196 M198 A307 N308 N313 R314 S315	M175-W311 HydrophobicContact CG-CB 4.08Å; E193-W311 HydrophobicContact CG-CZ2 4.44Å; E193-W311 WeakPolarHBondContact O-CZ2 3.06Å; E194-W311 HydrophobicContact CB-CH2 3.85Å; E194-W311 HydrophobicContact CB-CZ2 4.16Å; E194-W311 HydrophobicContact CB-CZ3 4.44Å; E194-W311 HydrophobicContact CG-CH2 3.79Å; E194-W311 HydrophobicContact CG-CZ2 4.13Å; G196-W311 VanDerWaalsContact C-CE3 3.47Å; M198-W311 HydrophobicContact CB-CZ3 4.44Å; M198-W311 HydrophobicContact CG-CH2 3.82Å; M198-W311 HydrophobicContact CG-CZ3 3.73Å; M198-W311 HydrophobicContact SD-CH2 3.97Å; M198-W311 HydrophobicContact SD-CZ3 4.12Å; A307-W311 HydrophobicContact CB-CE3 4.36Å; A307-W311 HydrophobicContact CB-CH2 4.19Å; A307-W311 HydrophobicContact CB-CZ3 3.78Å; A307-W311 VanDerWaalsContact O-CE3 3.23Å; A307-W311 PolarHBondContact O-N 3.4Å; A307-W311 VanDerWaalsContact O-N 3.1Å; N308-W311 PolarHBondContact O-N 3.23Å; W311-N313 VanDerWaalsContact C-N 3.29Å; W311-N313 PolarHBondContact O-N 3.33Å; W311-R314 VanDerWaalsContact NE1-NH2 3.19Å; W311-R314 PolarHBondContact O-N 3.37Å; W311-S315 VanDerWaalsContact O-CB 3.25Å; W311-S315 WeakPolarHBondContact O-CB 3.39Å; W311-S315 PolarHBondContact O-N 2.87Å
312	V	96.2	Very high	96.6	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-58	-44.9	172.9	173.3	0	0	0	0	110.3	C170 G174 W177 T178 L212 N308 F309 R314 S315 C316	C170-V312 HydrophobicContact CB-CG1 4.24Å; C170-V312 HydrophobicContact CB-CG2 4.24Å; G174-V312 WeakPolarHBondContact O-CG2 3.45Å; W177-V312 HydrophobicContact CE3-CG1 3.97Å; W177-V312 HydrophobicContact CZ3-CG1 4.23Å; T178-V312 HydrophobicContact CG2-CB 4.35Å; T178-V312 HydrophobicContact CG2-CG1 3.77Å; T178-V312 HydrophobicContact CG2-CG2 4.44Å; L212-V312 HydrophobicContact CD1-CG1 3.4Å; L212-V312 VanDerWaalsContact CD1-CG1 3.4Å; L212-V312 HydrophobicContact CD2-CB 4.22Å; L212-V312 HydrophobicContact CD2-CG1 3.56Å; L212-V312 HydrophobicContact CG-CG1 4.13Å; N308-V312 WeakPolarHBondContact O-CG2 3.41Å; N308-V312 PolarHBondContact O-N 3.23Å; F309-V312 PolarHBondContact O-N 3.25Å; V312-R314 PolarHBondContact O-N 2.96Å; V312-S315 WeakPolarHBondContact O-CB 3.18Å; V312-S315 PolarHBondContact O-N 3.23Å; V312-C316 WeakPolarHBondContact O-CB 3.49Å; V312-C316 PolarHBondContact O-N 2.85Å; V312-C316 PolarHBondContact O-SG 3.13Å
313	N	94.7	Very high	96.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59.9	-47.7	178.7	-170.4	37.7	0	0	0	111.7	L212 G213 T214 C253 G254 F309 A310 W311 S315 C316 M317	L212-N313 HydrophobicContact CD2-CB 4.32Å; G213-N313 VanDerWaalsContact CA-OD1 3.26Å; G213-N313 WeakPolarHBondContact CA-OD1 3.41Å; G213-N313 PolarHBondContact N-OD1 2.98Å; T214-N313 PolarHBondContact N-OD1 3.39Å; T214-N313 VanDerWaalsContact N-OD1 3.08Å; T214-N313 PolarHBondContact O-ND2 2.84Å; T214-N313 VanDerWaalsContact O-ND2 3.09Å; C253-N313 PolarHBondContact SG-ND2 3.43Å; G254-N313 PolarHBondContact O-ND2 3.06Å; F309-N313 VanDerWaalsContact O-CB 3.31Å; F309-N313 WeakPolarHBondContact O-CB 3.45Å; F309-N313 PolarHBondContact O-N 3.23Å; A310-N313 WeakPolarHBondContact O-CB 3.39Å; A310-N313 PolarHBondContact O-N 3.07Å; W311-N313 VanDerWaalsContact C-N 3.29Å; W311-N313 PolarHBondContact O-N 3.33Å; N313-S315 VanDerWaalsContact C-N 3.34Å; N313-S315 PolarHBondContact O-N 2.83Å; N313-C316 PolarHBondContact O-N 3.36Å; N313-M317 HydrophobicContact CB-CE 4.41Å; N313-M317 WeakPolarHBondContact ND2-CE 2.97Å; N313-M317 WeakPolarHBondContact O-CE 3.28Å; N313-M317 PolarHBondContact O-N 2.93Å
314	R	96.4	Very high	96.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-65.2	-35.6	176.3	-70.5	-165.9	-65.4	-89.3	8.5	112.9	N120 C253 A310 W311 V312 M317 T318 D343	N120-R314 PolarHBondContact O-NH1 3.47Å; N120-R314 PolarHBondContact OD1-NH2 3.2Å; C253-R314 HydrophobicContact CB-CG 4.44Å; C253-R314 PolarHBondContact O-NH1 3.49Å; A310-R314 PolarHBondContact O-N 3.39Å; W311-R314 VanDerWaalsContact NE1-NH2 3.19Å; W311-R314 PolarHBondContact O-N 3.37Å; V312-R314 PolarHBondContact O-N 2.96Å; R314-M317 HydrophobicContact CG-CE 4.2Å; R314-M317 PolarHBondContact O-N 3.25Å; R314-T318 PolarHBondContact O-N 3.43Å; R314-T318 PolarHBondContact O-OG1 3.31Å; R314-D343 IonicContact CZ-OD1 2.65Å; R314-D343 VanDerWaalsContact CZ-OD1 3.23Å; R314-D343 IonicContact CZ-OD2 3.73Å; R314-D343 VanDerWaalsContact NE-CG 3.3Å; R314-D343 IonicContact NE-OD1 3.76Å; R314-D343 PolarHBondContact NE-OD1 3.29Å; R314-D343 IonicContact NE-OD2 3.88Å; R314-D343 PolarHBondContact NE-OD2 2.71Å; R314-D343 IonicContact NH2-OD1 2.88Å; R314-D343 PolarHBondContact NH2-OD1 2.8Å; R314-D343 IonicContact NH2-OD2 2.64Å
315	S	96.2	Very high	96.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64	-46.4	173.9	-173.6	0	0	0	0	111.6	T178 S184 W311 V312 N313 M317 T318 F319	T178-S315 WeakPolarHBondContact CB-OG 3.43Å; T178-S315 PolarHBondContact OG1-OG 3.31Å; S184-S315 WeakPolarHBondContact CB-OG 3.35Å; W311-S315 VanDerWaalsContact O-CB 3.25Å; W311-S315 WeakPolarHBondContact O-CB 3.39Å; W311-S315 PolarHBondContact O-N 2.87Å; V312-S315 WeakPolarHBondContact O-CB 3.18Å; V312-S315 PolarHBondContact O-N 3.23Å; N313-S315 VanDerWaalsContact C-N 3.34Å; N313-S315 PolarHBondContact O-N 2.83Å; S315-M317 VanDerWaalsContact C-N 3.34Å; S315-M317 PolarHBondContact O-N 3.24Å; S315-T318 WeakPolarHBondContact O-CA 3.17Å; S315-T318 WeakPolarHBondContact O-CB 3.38Å; S315-T318 PolarHBondContact O-N 2.89Å; S315-F319 PolarHBondContact O-N 2.71Å
316	C	94.7	Very high	96.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.7	-39.3	172.5	-70.8	0	0	0	0	113.1	I160 V312 N313 T318 F319 C320	I160-C316 HydrophobicContact CD1-CB 3.51Å; I160-C316 WeakPolarHBondContact CD1-SG 3.43Å; V312-C316 WeakPolarHBondContact O-CB 3.49Å; V312-C316 PolarHBondContact O-N 2.85Å; V312-C316 PolarHBondContact O-SG 3.13Å; N313-C316 PolarHBondContact O-N 3.36Å; C316-T318 VanDerWaalsContact C-N 3.3Å; C316-T318 PolarHBondContact O-N 3.16Å; C316-F319 WeakPolarHBondContact O-CB 3.19Å; C316-F319 PolarHBondContact O-N 3.27Å; C316-C320 PolarHBondContact O-N 3.5Å; C316-C320 PolarHBondContact O-SG 2.88Å
317	M	94.5	Very high	96.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-67.5	-31.6	174.1	-75.7	-177.4	-79.4	0	0	112.5	I150 L215 V251 C253 N313 R314 S315 C320 A321	I150-M317 HydrophobicContact CG2-CG 4.02Å; I150-M317 HydrophobicContact CG2-SD 4.09Å; L215-M317 HydrophobicContact CD2-SD 3.7Å; L215-M317 HydrophobicContact CG-SD 3.9Å; V251-M317 HydrophobicContact CG1-CB 3.99Å; V251-M317 HydrophobicContact CG1-CE 4Å; V251-M317 HydrophobicContact CG1-SD 3.9Å; C253-M317 HydrophobicContact CB-CE 3.39Å; C253-M317 HydrophobicContact CB-SD 4.33Å; N313-M317 HydrophobicContact CB-CE 4.41Å; N313-M317 WeakPolarHBondContact ND2-CE 2.97Å; N313-M317 WeakPolarHBondContact O-CE 3.28Å; N313-M317 PolarHBondContact O-N 2.93Å; R314-M317 HydrophobicContact CG-CE 4.2Å; R314-M317 PolarHBondContact O-N 3.25Å; S315-M317 VanDerWaalsContact C-N 3.34Å; S315-M317 PolarHBondContact O-N 3.24Å; M317-C320 PolarHBondContact O-N 2.63Å; M317-A321 WeakPolarHBondContact O-CB 3.4Å; M317-A321 PolarHBondContact O-N 3.42Å
318	T	96.5	Very high	96.4	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	7%	0.067	C	C	.	.	H	α-helix	trans	-62	-47.4	172.2	-58.8	0	0	0	0	110.8	R124 L126 R314 S315 C316 C320 A321 R322	R124-T318 WeakPolarHBondContact CD-OG1 3.38Å; R124-T318 PolarHBondContact NH1-OG1 2.82Å; R124-T318 VanDerWaalsContact NH1-OG1 3.11Å; L126-T318 HydrophobicContact CD1-CG2 4.23Å; L126-T318 HydrophobicContact CD2-CG2 3.47Å; L126-T318 VanDerWaalsContact CD2-CG2 3.47Å; L126-T318 HydrophobicContact CG-CG2 4.36Å; R314-T318 PolarHBondContact O-N 3.43Å; R314-T318 PolarHBondContact O-OG1 3.31Å; S315-T318 WeakPolarHBondContact O-CA 3.17Å; S315-T318 WeakPolarHBondContact O-CB 3.38Å; S315-T318 PolarHBondContact O-N 2.89Å; C316-T318 VanDerWaalsContact C-N 3.3Å; C316-T318 PolarHBondContact O-N 3.16Å; T318-C320 VanDerWaalsContact C-N 3.33Å; T318-C320 PolarHBondContact O-N 3.13Å; T318-A321 PolarHBondContact O-N 2.78Å; T318-R322 WeakPolarHBondContact O-CG 3.45Å; T318-R322 PolarHBondContact O-N 3.13Å
319	F	95.7	Very high	96.5	Very high	50 Å²	50	16.3 Å²	16.3	22%	0.219	8%	0.076	C	C	.	.	H	α-helix	trans	-55.2	-48.9	172.8	178	-100.1	0	0	0	111.7	Y183 S315 C316 A321 R322 Q323	Y183-F319 HydrophobicContact CD1-CD1 4.04Å; Y183-F319 HydrophobicContact CD1-CD2 4.2Å; Y183-F319 HydrophobicContact CD1-CE1 4.09Å; Y183-F319 HydrophobicContact CD1-CE2 4.24Å; Y183-F319 HydrophobicContact CD1-CG 4.09Å; Y183-F319 HydrophobicContact CD1-CZ 4.18Å; Y183-F319 HydrophobicContact CE1-CE1 4.38Å; Y183-F319 WeakPolarHBondContact O-CB 3.48Å; S315-F319 PolarHBondContact O-N 2.71Å; C316-F319 WeakPolarHBondContact O-CB 3.19Å; C316-F319 PolarHBondContact O-N 3.27Å; F319-A321 VanDerWaalsContact C-N 3.34Å; F319-A321 PolarHBondContact O-N 3.12Å; F319-R322 WeakPolarHBondContact O-CB 3.47Å; F319-R322 PolarHBondContact O-N 3Å; F319-Q323 HydrophobicContact CD1-CG 4.33Å; F319-Q323 HydrophobicContact CE1-CG 3.96Å; F319-Q323 HydrophobicContact CE2-CG 4.45Å; F319-Q323 HydrophobicContact CZ-CG 4.03Å; F319-Q323 VanDerWaalsContact CZ-NE2 3.3Å; F319-Q323 WeakPolarHBondContact O-CG 3.48Å; F319-Q323 PolarHBondContact O-N 3.31Å
320	C	95.1	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.3	-40.6	179.7	-62.5	0	0	0	0	112.3	H149 I150 C316 M317 T318 Q323 A324	H149-C320 HydrophobicContact CB-CB 4.2Å; H149-C320 PolarHBondContact O-SG 2.97Å; I150-C320 HydrophobicContact CD1-CB 4.45Å; I150-C320 HydrophobicContact CG1-CB 3.57Å; C316-C320 PolarHBondContact O-N 3.5Å; C316-C320 PolarHBondContact O-SG 2.88Å; M317-C320 PolarHBondContact O-N 2.63Å; T318-C320 VanDerWaalsContact C-N 3.33Å; T318-C320 PolarHBondContact O-N 3.13Å; C320-Q323 PolarHBondContact O-N 2.81Å; C320-A324 WeakPolarHBondContact O-CB 3.38Å; C320-A324 PolarHBondContact O-N 2.8Å
321	A	96.7	Very high	96.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-44.8	175.7	0	0	0	0	0	111.4	L146 I150 V249 M317 T318 F319 Q323 A324 F325	L146-A321 HydrophobicContact CD2-CB 4.03Å; I150-A321 HydrophobicContact CD1-CB 4.35Å; V249-A321 HydrophobicContact CG1-CB 4.43Å; M317-A321 WeakPolarHBondContact O-CB 3.4Å; M317-A321 PolarHBondContact O-N 3.42Å; T318-A321 PolarHBondContact O-N 2.78Å; F319-A321 VanDerWaalsContact C-N 3.34Å; F319-A321 PolarHBondContact O-N 3.12Å; A321-Q323 VanDerWaalsContact C-N 3.32Å; A321-Q323 PolarHBondContact O-N 3.2Å; A321-A324 PolarHBondContact O-N 3.18Å; A321-F325 VanDerWaalsContact O-CD2 3.31Å; A321-F325 WeakPolarHBondContact O-CD2 3.45Å; A321-F325 PolarHBondContact O-N 3.44Å
322	R	97.3	Very high	96.5	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-56.6	-44.6	174.1	-76.2	178.7	177.6	144.4	4.9	111.7	W185 D188 T318 F319 F325 A326 P333 M338	W185-R322 VanDerWaalsContact CD2-CZ 3.44Å; W185-R322 VanDerWaalsContact CE3-CZ 3.47Å; D188-R322 IonicContact OD1-CZ 2.63Å; D188-R322 IonicContact OD1-NH1 3.69Å; D188-R322 IonicContact OD1-NH2 3.75Å; D188-R322 PolarHBondContact OD1-NH2 2.9Å; D188-R322 IonicContact OD2-CZ 3.56Å; D188-R322 IonicContact OD2-NH1 2.7Å; D188-R322 PolarHBondContact OD2-NH1 2.95Å; D188-R322 IonicContact OD2-NH2 2.92Å; D188-R322 PolarHBondContact OD2-NH2 2.94Å; T318-R322 WeakPolarHBondContact O-CG 3.45Å; T318-R322 PolarHBondContact O-N 3.13Å; F319-R322 WeakPolarHBondContact O-CB 3.47Å; F319-R322 PolarHBondContact O-N 3Å; R322-F325 PolarHBondContact O-N 2.84Å; R322-A326 WeakPolarHBondContact O-CB 3.29Å; R322-A326 PolarHBondContact O-N 3.46Å; R322-P333 HydrophobicContact CB-CB 3.71Å; R322-P333 HydrophobicContact CB-CG 3.71Å; R322-P333 HydrophobicContact CG-CB 3.83Å; R322-P333 HydrophobicContact CG-CG 4.39Å; R322-M338 HydrophobicContact CB-SD 4.5Å; R322-M338 HydrophobicContact CG-CB 4.1Å; R322-M338 HydrophobicContact CG-CE 4.32Å; R322-M338 HydrophobicContact CG-SD 4.14Å; R322-M338 PolarHBondContact NE-O 2.98Å; R322-M338 VanDerWaalsContact NE-O 3.12Å; R322-M338 PolarHBondContact NH2-O 3.4Å
323	Q	95.6	Very high	96.5	Very high	76 Å²	76	29.6 Å²	29.6	36%	0.355	15%	0.152	S	C	.	.	H	α-helix	trans	-65.4	-40.3	176.6	-63.1	-59	-7.2	0	0	112.9	F319 C320 A321 F325 A326 K327	F319-Q323 HydrophobicContact CD1-CG 4.33Å; F319-Q323 HydrophobicContact CE1-CG 3.96Å; F319-Q323 HydrophobicContact CE2-CG 4.45Å; F319-Q323 HydrophobicContact CZ-CG 4.03Å; F319-Q323 VanDerWaalsContact CZ-NE2 3.3Å; F319-Q323 WeakPolarHBondContact O-CG 3.48Å; F319-Q323 PolarHBondContact O-N 3.31Å; C320-Q323 PolarHBondContact O-N 2.81Å; A321-Q323 VanDerWaalsContact C-N 3.32Å; A321-Q323 PolarHBondContact O-N 3.2Å; Q323-F325 VanDerWaalsContact C-N 3.34Å; Q323-F325 PolarHBondContact O-N 2.57Å; Q323-A326 PolarHBondContact O-N 3.09Å; Q323-K327 WeakPolarHBondContact O-CB 3.36Å; Q323-K327 PolarHBondContact O-N 2.82Å
324	A	96.6	Very high	96.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-42	177.3	0	0	0	0	0	112	S145 L146 H149 C320 A321 I328	S145-A324 WeakPolarHBondContact OG-CA 3.43Å; S145-A324 PolarHBondContact OG-O 3.31Å; S145-A324 VanDerWaalsContact OG-O 3.12Å; L146-A324 HydrophobicContact CD2-CB 3.69Å; L146-A324 HydrophobicContact CG-CB 4.01Å; H149-A324 HydrophobicContact CB-CB 4.3Å; C320-A324 WeakPolarHBondContact O-CB 3.38Å; C320-A324 PolarHBondContact O-N 2.8Å; A321-A324 PolarHBondContact O-N 3.18Å; A324-I328 VanDerWaalsContact O-CG1 3.32Å; A324-I328 WeakPolarHBondContact O-CG1 3.16Å; A324-I328 PolarHBondContact O-N 2.86Å
325	F	98.3	Very high	96.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68	-47	175	-88.7	-108	0	0	0	111.8	T128 L130 L142 L146 V224 V249 A321 R322 Q323 K327 I328 F329 L336 M338	T128-F325 HydrophobicContact CG2-CE1 4.22Å; L130-F325 HydrophobicContact CD1-CD1 4.1Å; L130-F325 HydrophobicContact CD1-CE1 4.1Å; L142-F325 HydrophobicContact CD1-CD1 4.38Å; L142-F325 HydrophobicContact CD1-CD2 3.79Å; L142-F325 HydrophobicContact CD1-CE1 4.43Å; L142-F325 HydrophobicContact CD1-CE2 3.86Å; L142-F325 HydrophobicContact CD1-CG 4.08Å; L142-F325 HydrophobicContact CD1-CZ 4.19Å; L142-F325 HydrophobicContact CD2-CE1 3.98Å; L142-F325 HydrophobicContact CD2-CE2 4.18Å; L142-F325 HydrophobicContact CD2-CZ 3.74Å; L142-F325 HydrophobicContact CG-CE2 4.38Å; L142-F325 HydrophobicContact CG-CZ 4.42Å; L146-F325 HydrophobicContact CD1-CE2 4.26Å; L146-F325 HydrophobicContact CD2-CD2 4.4Å; L146-F325 HydrophobicContact CD2-CE2 4.26Å; V224-F325 HydrophobicContact CG1-CZ 4.28Å; V224-F325 HydrophobicContact CG2-CE2 4.29Å; V224-F325 HydrophobicContact CG2-CZ 4.09Å; V249-F325 HydrophobicContact CG2-CD2 4.47Å; V249-F325 HydrophobicContact CG2-CE1 4.31Å; V249-F325 HydrophobicContact CG2-CE2 3.46Å; V249-F325 VanDerWaalsContact CG2-CE2 3.46Å; V249-F325 HydrophobicContact CG2-CZ 3.36Å; A321-F325 VanDerWaalsContact O-CD2 3.31Å; A321-F325 WeakPolarHBondContact O-CD2 3.45Å; A321-F325 PolarHBondContact O-N 3.44Å; R322-F325 PolarHBondContact O-N 2.84Å; Q323-F325 VanDerWaalsContact C-N 3.34Å; Q323-F325 PolarHBondContact O-N 2.57Å; F325-K327 VanDerWaalsContact C-N 3.26Å; F325-K327 PolarHBondContact O-N 2.83Å; F325-I328 PolarHBondContact O-N 3.02Å; F325-F329 HydrophobicContact CD1-CD2 4.04Å; F325-F329 AromaticContact CD1-CE2 3.82Å; F325-F329 HydrophobicContact CD1-CE2 3.82Å; F325-F329 HydrophobicContact CE1-CE2 4.21Å; F325-F329 WeakPolarHBondContact O-CD2 3.23Å; F325-F329 PolarHBondContact O-N 2.65Å; F325-L336 HydrophobicContact CB-CD1 3.85Å; F325-L336 HydrophobicContact CD1-CD1 4.44Å; F325-M338 HydrophobicContact CB-CE 3.97Å; F325-M338 HydrophobicContact CB-SD 3.5Å; F325-M338 VanDerWaalsContact CB-SD 3.5Å; F325-M338 HydrophobicContact CD1-CE 4.04Å; F325-M338 HydrophobicContact CD1-SD 4.11Å; F325-M338 HydrophobicContact CD2-CE 3.69Å; F325-M338 HydrophobicContact CD2-SD 4.39Å; F325-M338 HydrophobicContact CE1-CE 4.47Å; F325-M338 HydrophobicContact CE2-CE 4.15Å; F325-M338 HydrophobicContact CG-CE 3.62Å; F325-M338 HydrophobicContact CG-SD 3.76Å
326	A	97.4	Very high	96.7	Very high	16 Å²	16	39.7 Å²	39.7	13%	0.132	21%	0.206	C	C	.	.	H	α-helix	trans	-56.6	-40.6	177.8	0	0	0	0	0	112.5	R322 Q323 I328 H330 C331 P333	R322-A326 WeakPolarHBondContact O-CB 3.29Å; R322-A326 PolarHBondContact O-N 3.46Å; Q323-A326 PolarHBondContact O-N 3.09Å; A326-I328 PolarHBondContact O-N 2.94Å; A326-H330 VanDerWaalsContact O-CA 3.31Å; A326-H330 WeakPolarHBondContact O-CA 3.49Å; A326-H330 PolarHBondContact O-N 2.82Å; A326-C331 WeakPolarHBondContact CA-O 3.41Å; A326-C331 WeakPolarHBondContact CB-O 3.32Å; A326-C331 PolarHBondContact O-N 3.37Å; A326-P333 HydrophobicContact CB-CG 4.09Å
327	K	97	Very high	96.8	Very high	117 Å²	117	41.7 Å²	41.7	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-61.8	-40.9	175.6	-179.6	-177.8	176.4	-174.4	0	112.8	Q323 F325 H330	Q323-K327 WeakPolarHBondContact O-CB 3.36Å; Q323-K327 PolarHBondContact O-N 2.82Å; F325-K327 VanDerWaalsContact C-N 3.26Å; F325-K327 PolarHBondContact O-N 2.83Å; K327-H330 PolarHBondContact O-CE1 3.26Å; K327-H330 PolarHBondContact O-ND1 2.99Å
328	I	98.1	Very high	97	Very high	31 Å²	31	41.7 Å²	41.7	16%	0.159	22%	0.216	C	C	.	.	H	α-helix	trans	-81.4	-39	-174.1	-66.8	-62.1	0	0	0	112.1	V138 Q141 L142 A324 F325 A326	V138-I328 HydrophobicContact CB-CG2 3.85Å; V138-I328 HydrophobicContact CG1-CG2 4.44Å; V138-I328 HydrophobicContact CG2-CG2 3.77Å; Q141-I328 HydrophobicContact CB-CD1 3.85Å; L142-I328 HydrophobicContact CB-CG2 4.44Å; L142-I328 HydrophobicContact CD1-CB 4.29Å; L142-I328 HydrophobicContact CD1-CG1 4.11Å; L142-I328 HydrophobicContact CD1-CG2 4.5Å; A324-I328 VanDerWaalsContact O-CG1 3.32Å; A324-I328 WeakPolarHBondContact O-CG1 3.16Å; A324-I328 PolarHBondContact O-N 2.86Å; F325-I328 PolarHBondContact O-N 3.02Å; A326-I328 PolarHBondContact O-N 2.94Å
329	F	98.2	Very high	97.1	Very high	46 Å²	46	43.9 Å²	43.9	20%	0.202	23%	0.226	C	C	.	.	H	α-helix	trans	-92.8	-5.3	-178.8	-69.5	-76.7	0	0	0	113.6	L130 V135 V138 L142 F325 C331 L336	L130-F329 HydrophobicContact CD1-CD1 4.36Å; L130-F329 HydrophobicContact CD1-CD2 3.92Å; L130-F329 HydrophobicContact CD1-CE1 3.98Å; L130-F329 HydrophobicContact CD1-CE2 3.5Å; L130-F329 HydrophobicContact CD1-CG 4.35Å; L130-F329 HydrophobicContact CD1-CZ 3.55Å; L130-F329 HydrophobicContact CD2-CD1 4.31Å; L130-F329 HydrophobicContact CD2-CE1 4.2Å; V135-F329 HydrophobicContact CG2-CZ 3.96Å; V138-F329 HydrophobicContact CG2-CE1 4.02Å; V138-F329 HydrophobicContact CG2-CZ 3.76Å; L142-F329 HydrophobicContact CD2-CE2 4.41Å; F325-F329 HydrophobicContact CD1-CD2 4.04Å; F325-F329 AromaticContact CD1-CE2 3.82Å; F325-F329 HydrophobicContact CD1-CE2 3.82Å; F325-F329 HydrophobicContact CE1-CE2 4.21Å; F325-F329 WeakPolarHBondContact O-CD2 3.23Å; F325-F329 PolarHBondContact O-N 2.65Å; F329-C331 VanDerWaalsContact C-N 3.26Å; F329-C331 PolarHBondContact O-N 3Å; F329-L336 HydrophobicContact CB-CD1 4.21Å; F329-L336 HydrophobicContact CB-CD2 4.17Å; F329-L336 HydrophobicContact CD2-CD1 4.28Å; F329-L336 HydrophobicContact CG-CD2 4.33Å
330	H	97.4	Very high	97.2	Very high	172 Å²	172	41.9 Å²	41.9	80%	0.796	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	37.2	178.5	-54.9	-65.5	0	0	0	113.7	A326 K327	A326-H330 VanDerWaalsContact O-CA 3.31Å; A326-H330 WeakPolarHBondContact O-CA 3.49Å; A326-H330 PolarHBondContact O-N 2.82Å; K327-H330 PolarHBondContact O-CE1 3.26Å; K327-H330 PolarHBondContact O-ND1 2.99Å
331	C	96.2	Very high	97.4	Very high	40 Å²	40	41.9 Å²	41.9	27%	0.27	22%	0.218	S	C	.	.	S	Bend	trans	-143.9	166.3	179.1	60.4	0	0	0	0	110.6	A326 F329 D335 L336	A326-C331 WeakPolarHBondContact CA-O 3.41Å; A326-C331 WeakPolarHBondContact CB-O 3.32Å; A326-C331 PolarHBondContact O-N 3.37Å; F329-C331 VanDerWaalsContact C-N 3.26Å; F329-C331 PolarHBondContact O-N 3Å; C331-D335 HydrophobicContact CB-CB 4.24Å; C331-L336 WeakPolarHBondContact SG-CD2 3.28Å; C331-L336 WeakPolarHBondContact SG-CG 3.47Å
332	A	96.8	Very high	97.5	Very high	44 Å²	44	42 Å²	42	36%	0.364	22%	0.218	S	C	.	.			trans	-70.6	154	178.9	0	0	0	0	0	110.6	D334 D335 L336	A332-D334 PolarHBondContact O-N 3.45Å; A332-D335 WeakPolarHBondContact CB-OD2 3.12Å; A332-D335 PolarHBondContact N-OD2 2.85Å; A332-D335 VanDerWaalsContact N-OD2 3.09Å; A332-D335 WeakPolarHBondContact O-CB 2.84Å; A332-D335 PolarHBondContact O-N 3.14Å; A332-D335 VanDerWaalsContact O-N 3.15Å; A332-L336 PolarHBondContact O-N 2.74Å
333	P	96.8	Very high	97.5	Very high	24 Å²	24	41.8 Å²	41.8	16%	0.156	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25	174.9	-20.1	30.6	0	0	0	113.9	W185 R322 A326 L336 D337 M338	W185-P333 HydrophobicContact CH2-CB 4.35Å; W185-P333 HydrophobicContact CZ2-CB 4.02Å; R322-P333 HydrophobicContact CB-CB 3.71Å; R322-P333 HydrophobicContact CB-CG 3.71Å; R322-P333 HydrophobicContact CG-CB 3.83Å; R322-P333 HydrophobicContact CG-CG 4.39Å; A326-P333 HydrophobicContact CB-CG 4.09Å; P333-L336 PolarHBondContact O-N 3.04Å; P333-D337 PolarHBondContact O-N 2.75Å; P333-M338 HydrophobicContact CB-CB 4.43Å; P333-M338 HydrophobicContact CB-SD 4.3Å; P333-M338 WeakPolarHBondContact O-CB 3.44Å; P333-M338 PolarHBondContact O-N 2.95Å; P333-M338 VanDerWaalsContact O-N 3.16Å
334	D	96	Very high	97.7	Very high	104 Å²	104	38.1 Å²	38.1	56%	0.556	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-43.1	174.1	-165	71.5	0	0	0	111.1	A332 L336 D337	A332-D334 PolarHBondContact O-N 3.45Å; D334-L336 PolarHBondContact O-N 2.85Å; D334-D337 PolarHBondContact O-N 3.46Å
335	D	97.9	Very high	97.7	Very high	102 Å²	102	38.1 Å²	38.1	55%	0.545	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24	173.4	-58.1	-47.4	0	0	0	112.6	N129 C331 A332 D337	N129-D335 PolarHBondContact ND2-O 3.22Å; C331-D335 HydrophobicContact CB-CB 4.24Å; A332-D335 WeakPolarHBondContact CB-OD2 3.12Å; A332-D335 PolarHBondContact N-OD2 2.85Å; A332-D335 VanDerWaalsContact N-OD2 3.09Å; A332-D335 WeakPolarHBondContact O-CB 2.84Å; A332-D335 PolarHBondContact O-N 3.14Å; A332-D335 VanDerWaalsContact O-N 3.15Å; D335-D337 VanDerWaalsContact C-N 3.34Å
336	L	98.2	Very high	97.7	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	0.5	175.6	-68.2	176.7	0	0	0	113.4	T128 N129 L130 F325 F329 C331 A332 P333 D334 M338	T128-L336 CarbonylContact C-O 3.56Å; T128-L336 VanDerWaalsContact CA-O 3.26Å; T128-L336 WeakPolarHBondContact CA-O 3.36Å; T128-L336 WeakPolarHBondContact CB-O 3.49Å; N129-L336 PolarHBondContact N-O 3.15Å; N129-L336 WeakPolarHBondContact OD1-CA 3.5Å; N129-L336 PolarHBondContact OD1-O 2.92Å; L130-L336 HydrophobicContact CD1-CD2 4.08Å; L130-L336 HydrophobicContact CD2-CD2 3.9Å; L130-L336 HydrophobicContact CG-CD2 4.05Å; F325-L336 HydrophobicContact CB-CD1 3.85Å; F325-L336 HydrophobicContact CD1-CD1 4.44Å; F329-L336 HydrophobicContact CB-CD1 4.21Å; F329-L336 HydrophobicContact CB-CD2 4.17Å; F329-L336 HydrophobicContact CD2-CD1 4.28Å; F329-L336 HydrophobicContact CG-CD2 4.33Å; C331-L336 WeakPolarHBondContact SG-CD2 3.28Å; C331-L336 WeakPolarHBondContact SG-CG 3.47Å; A332-L336 PolarHBondContact O-N 2.74Å; P333-L336 PolarHBondContact O-N 3.04Å; D334-L336 PolarHBondContact O-N 2.85Å; L336-M338 HydrophobicContact CB-CG 3.68Å; L336-M338 HydrophobicContact CB-SD 4.27Å; L336-M338 HydrophobicContact CD1-SD 4.16Å; L336-M338 PolarHBondContact O-N 2.84Å
337	D	97.6	Very high	97.7	Very high	41 Å²	41	38.6 Å²	38.6	22%	0.219	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	37.4	178	-158.2	21	0	0	0	112.1	R127 N129 P333 D334 D335 H339	R127-D337 VanDerWaalsContact CZ-CG 3.5Å; R127-D337 IonicContact CZ-OD1 2.66Å; R127-D337 IonicContact CZ-OD2 3.67Å; R127-D337 IonicContact NH1-OD1 2.98Å; R127-D337 IonicContact NH1-OD2 3.12Å; R127-D337 PolarHBondContact NH1-OD2 3.27Å; R127-D337 IonicContact NH2-OD1 3.09Å; R127-D337 PolarHBondContact NH2-OD1 3.09Å; R127-D337 IonicContact NH2-OD2 3.98Å; R127-D337 PolarHBondContact NH2-OD2 3.29Å; N129-D337 HydrophobicContact CB-CB 3.74Å; P333-D337 PolarHBondContact O-N 2.75Å; D334-D337 PolarHBondContact O-N 3.46Å; D335-D337 VanDerWaalsContact C-N 3.34Å; D337-H339 PolarHBondContact O-N 2.94Å; D337-H339 IonicContact OD1-CD2 3.5Å; D337-H339 PolarHBondContact OD1-CD2 3.1Å; D337-H339 IonicContact OD1-NE2 2.63Å
338	M	98.2	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.			trans	-76.6	52.2	-173.4	-65.9	-166.7	76.6	0	0	114	L126 R127 T128 W185 V249 R322 F325 P333 L336	L126-M338 WeakPolarHBondContact CD2-O 3.42Å; R127-M338 VanDerWaalsContact O-CA 3.29Å; R127-M338 WeakPolarHBondContact O-CA 3.29Å; T128-M338 HydrophobicContact CG2-CE 4.39Å; T128-M338 HydrophobicContact CG2-CG 4.11Å; W185-M338 HydrophobicContact CH2-CB 4.33Å; W185-M338 VanDerWaalsContact CZ3-O 3.31Å; W185-M338 WeakPolarHBondContact CZ3-O 3.28Å; V249-M338 HydrophobicContact CG2-CE 4.27Å; R322-M338 HydrophobicContact CB-SD 4.5Å; R322-M338 HydrophobicContact CG-CB 4.1Å; R322-M338 HydrophobicContact CG-CE 4.32Å; R322-M338 HydrophobicContact CG-SD 4.14Å; R322-M338 PolarHBondContact NE-O 2.98Å; R322-M338 VanDerWaalsContact NE-O 3.12Å; R322-M338 PolarHBondContact NH2-O 3.4Å; F325-M338 HydrophobicContact CB-CE 3.97Å; F325-M338 HydrophobicContact CB-SD 3.5Å; F325-M338 VanDerWaalsContact CB-SD 3.5Å; F325-M338 HydrophobicContact CD1-CE 4.04Å; F325-M338 HydrophobicContact CD1-SD 4.11Å; F325-M338 HydrophobicContact CD2-CE 3.69Å; F325-M338 HydrophobicContact CD2-SD 4.39Å; F325-M338 HydrophobicContact CE1-CE 4.47Å; F325-M338 HydrophobicContact CE2-CE 4.15Å; F325-M338 HydrophobicContact CG-CE 3.62Å; F325-M338 HydrophobicContact CG-SD 3.76Å; P333-M338 HydrophobicContact CB-CB 4.43Å; P333-M338 HydrophobicContact CB-SD 4.3Å; P333-M338 WeakPolarHBondContact O-CB 3.44Å; P333-M338 PolarHBondContact O-N 2.95Å; P333-M338 VanDerWaalsContact O-N 3.16Å; L336-M338 HydrophobicContact CB-CG 3.68Å; L336-M338 HydrophobicContact CB-SD 4.27Å; L336-M338 HydrophobicContact CD1-SD 4.16Å; L336-M338 PolarHBondContact O-N 2.84Å
339	H	98	Very high	97.8	Very high	48 Å²	48	31.6 Å²	31.6	22%	0.222	17%	0.169	C	C	.	.			trans	-80.2	149.4	179.3	-68	-85.9	0	0	0	112.4	L126 R127 W185 D337 I341	L126-H339 WeakPolarHBondContact CA-O 3.32Å; R127-H339 HydrophobicContact CG-CB 4.4Å; R127-H339 PolarHBondContact N-O 3.41Å; W185-H339 AromaticContact CE3-ND1 3.85Å; W185-H339 AromaticContact CZ3-CE1 3.73Å; W185-H339 AromaticContact CZ3-ND1 3.68Å; D337-H339 PolarHBondContact O-N 2.94Å; D337-H339 IonicContact OD1-CD2 3.5Å; D337-H339 PolarHBondContact OD1-CD2 3.1Å; D337-H339 IonicContact OD1-NE2 2.63Å; H339-I341 PolarHBondContact O-N 2.88Å
340	L	98.3	Very high	97.8	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	125.3	171.9	-178.1	62.5	0	0	0	110.2	R124 L125 D188 H191 Y342 D343	R124-L340 HydrophobicContact CG-CD1 3.25Å; L125-L340 WeakPolarHBondContact O-CD1 3.29Å; D188-L340 HydrophobicContact CB-CD2 4.26Å; D188-L340 WeakPolarHBondContact O-CD2 3.35Å; H191-L340 HydrophobicContact CB-CB 4.22Å; H191-L340 HydrophobicContact CB-CD2 3.83Å; H191-L340 HydrophobicContact CB-CG 3.85Å; H191-L340 WeakPolarHBondContact O-CD2 3.49Å; L340-Y342 WeakPolarHBondContact CD1-O 3.45Å; L340-D343 HydrophobicContact CD2-CB 4.45Å
341	I	98.4	Very high	97.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-58.6	165.8	-67.7	178.9	0	0	0	108.4	L125 R127 H191 M239 I241 H339 Y385	L125-I341 HydrophobicContact CB-CB 4.45Å; L125-I341 HydrophobicContact CD2-CB 4.46Å; L125-I341 HydrophobicContact CD2-CD1 3.73Å; L125-I341 HydrophobicContact CG-CB 4.49Å; L125-I341 HydrophobicContact CG-CD1 4.06Å; L125-I341 WeakPolarHBondContact O-CB 3.2Å; L125-I341 PolarHBondContact O-N 3.31Å; R127-I341 HydrophobicContact CB-CD1 4.05Å; R127-I341 HydrophobicContact CB-CG1 4.13Å; H191-I341 PolarHBondContact CD2-O 2.96Å; M239-I341 HydrophobicContact CB-CD1 4.28Å; M239-I341 HydrophobicContact CB-CG1 4.34Å; M239-I341 HydrophobicContact CB-CG2 3.88Å; M239-I341 HydrophobicContact CG-CG2 3.91Å; M239-I341 WeakPolarHBondContact O-CG1 3.3Å; M239-I341 HydrophobicContact SD-CG2 4.08Å; I241-I341 HydrophobicContact CD1-CD1 4.16Å; I241-I341 HydrophobicContact CG1-CD1 4Å; H339-I341 PolarHBondContact O-N 2.88Å; I341-Y385 WeakPolarHBondContact O-CE2 3.36Å; I341-Y385 PolarHBondContact O-OH 3.48Å
342	Y	98.7	Very high	97.9	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.008	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	162.4	177	-146.2	-133.4	0	0	0	113.2	R124 L125 H191 L340 V344 P382 Y385 Q390 P391 L393	R124-Y342 WeakPolarHBondContact CA-O 3.49Å; L125-Y342 PolarHBondContact N-O 3.26Å; H191-Y342 HydrophobicContact CB-CD2 4.29Å; H191-Y342 CarbonylContact O-C 3.6Å; H191-Y342 VanDerWaalsContact O-CA 3.22Å; H191-Y342 WeakPolarHBondContact O-CA 3.08Å; H191-Y342 WeakPolarHBondContact O-CD2 3.37Å; L340-Y342 WeakPolarHBondContact CD1-O 3.45Å; Y342-V344 HydrophobicContact CD1-CG1 3.32Å; Y342-V344 HydrophobicContact CE1-CG1 3.4Å; Y342-V344 HydrophobicContact CG-CG1 4.49Å; Y342-P382 HydrophobicContact CD2-CG 4.21Å; Y342-P382 HydrophobicContact CE2-CG 3.55Å; Y342-Y385 HydrophobicContact CD2-CE2 4.17Å; Y342-Q390 HydrophobicContact CD1-CG 4.39Å; Y342-Q390 HydrophobicContact CE1-CG 3.46Å; Y342-Q390 VanDerWaalsContact CE1-CG 3.46Å; Y342-Q390 PolarHBondContact OH-NE2 3.24Å; Y342-P391 HydrophobicContact CD1-CB 3.9Å; Y342-P391 HydrophobicContact CD1-CG 4.03Å; Y342-P391 WeakPolarHBondContact CD1-O 3.49Å; Y342-P391 HydrophobicContact CD2-CG 4.32Å; Y342-P391 HydrophobicContact CG-CB 4Å; Y342-P391 HydrophobicContact CG-CG 3.86Å; Y342-L393 WeakPolarHBondContact O-CD1 3.4Å
343	D	98.7	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.8	170.5	-177.9	-38.4	0	0	0	109.5	V123 R124 H191 C192 E193 R314 L340	V123-D343 WeakPolarHBondContact O-CA 3.41Å; R124-D343 HydrophobicContact CB-CB 4.31Å; R124-D343 HydrophobicContact CG-CB 4.18Å; R124-D343 IonicContact CZ-OD2 3Å; R124-D343 IonicContact NE-OD2 3.2Å; R124-D343 PolarHBondContact NE-OD2 3.18Å; R124-D343 IonicContact NH2-OD2 3.98Å; R124-D343 PolarHBondContact NH2-OD2 3.46Å; H191-D343 PolarHBondContact O-N 3.37Å; C192-D343 HydrophobicContact CB-CB 4.26Å; E193-D343 WeakPolarHBondContact CB-O 3.34Å; E193-D343 PolarHBondContact N-O 3.45Å; R314-D343 IonicContact CZ-OD1 2.65Å; R314-D343 VanDerWaalsContact CZ-OD1 3.23Å; R314-D343 IonicContact CZ-OD2 3.73Å; R314-D343 VanDerWaalsContact NE-CG 3.3Å; R314-D343 IonicContact NE-OD1 3.76Å; R314-D343 PolarHBondContact NE-OD1 3.29Å; R314-D343 IonicContact NE-OD2 3.88Å; R314-D343 PolarHBondContact NE-OD2 2.71Å; R314-D343 IonicContact NH2-OD1 2.88Å; R314-D343 PolarHBondContact NH2-OD1 2.8Å; R314-D343 IonicContact NH2-OD2 2.64Å; L340-D343 HydrophobicContact CD2-CB 4.45Å
344	V	98.1	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.2	-176.3	-68.9	0	0	0	0	112.8	G122 V123 E193 Y342 T371 L393	G122-V344 CarbonylContact C-O 3.53Å; G122-V344 WeakPolarHBondContact CA-O 3.47Å; V123-V344 PolarHBondContact N-O 2.84Å; V123-V344 PolarHBondContact O-N 2.81Å; E193-V344 WeakPolarHBondContact OE2-CA 3.37Å; Y342-V344 HydrophobicContact CD1-CG1 3.32Å; Y342-V344 HydrophobicContact CE1-CG1 3.4Å; Y342-V344 HydrophobicContact CG-CG1 4.49Å; V344-T371 HydrophobicContact CB-CG2 3.73Å; V344-T371 HydrophobicContact CG1-CG2 4.25Å; V344-T371 HydrophobicContact CG2-CG2 3.77Å; V344-L393 HydrophobicContact CG2-CB 3.87Å; V344-L393 HydrophobicContact CG2-CD1 4.25Å; V344-L393 HydrophobicContact CG2-CG 4.04Å
345	S	97.8	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	144.8	171.4	-52.9	0	0	0	0	111.1	N120 E193	N120-S345 VanDerWaalsContact OD1-CB 3.23Å; N120-S345 WeakPolarHBondContact OD1-CB 3.17Å; N120-S345 PolarHBondContact OD1-OG 2.83Å; E193-S345 PolarHBondContact OE2-N 2.77Å
346	H	97.3	Very high	97.8	Very high	4 Å²	4	23 Å²	23	2%	0.019	11%	0.114	C	C	.	.	S	Bend	trans	-127.6	1	169.4	55.8	90.6	0	0	0	115.3	C121 G122 H252 K368 G369 S370 H421	C121-H346 PolarHBondContact O-CD2 3.03Å; C121-H346 PolarHBondContact O-N 3.04Å; C121-H346 PolarHBondContact O-NE2 3.37Å; C121-H346 PolarHBondContact SG-CE1 2.67Å; G122-H346 VanDerWaalsContact CA-CD2 3.41Å; G122-H346 WeakPolarHBondContact CA-CD2 3.38Å; G122-H346 WeakPolarHBondContact CA-NE2 3.41Å; G122-H346 PolarHBondContact N-NE2 3.27Å; H252-H346 AromaticContact CD2-NE2 3.71Å; H252-H346 AromaticContact NE2-CE1 3.46Å; H252-H346 PolarHBondContact NE2-CE1 3.31Å; H252-H346 AromaticContact NE2-NE2 3.28Å; H252-H346 PolarHBondContact NE2-NE2 3.3Å; H346-K368 CarbonylContact O-C 3.49Å; H346-G369 WeakPolarHBondContact O-CA 3.22Å; H346-G369 PolarHBondContact O-N 3.34Å; H346-S370 CarbonylContact C-O 3.51Å; H346-S370 WeakPolarHBondContact CA-O 3.36Å; H346-S370 PolarHBondContact O-N 3.33Å; H346-H421 HydrophobicContact CB-CB 3.44Å; H346-H421 VanDerWaalsContact CB-CB 3.44Å; H346-H421 AromaticContact CE1-CD2 3.83Å; H346-H421 AromaticContact CG-CD2 3.93Å; H346-H421 AromaticContact ND1-CD2 3.43Å; H346-H421 PolarHBondContact ND1-CD2 2.9Å; H346-H421 AromaticContact ND1-CG 3.99Å
347	N	98.3	Very high	97.5	Very high	21 Å²	21	30 Å²	30	11%	0.112	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	87.2	170.3	-75.9	-12.7	0	0	0	109.3	V115 D118 N120 C121 R367 G369	V115-N347 WeakPolarHBondContact O-CA 3.18Å; V115-N347 WeakPolarHBondContact O-CB 3.45Å; D118-N347 WeakPolarHBondContact O-CB 3.32Å; D118-N347 PolarHBondContact O-ND2 3.15Å; N120-N347 WeakPolarHBondContact CA-O 3.35Å; N120-N347 PolarHBondContact N-O 2.89Å; C121-N347 HydrophobicContact CB-CB 4.26Å; C121-N347 WeakPolarHBondContact CB-ND2 3.33Å; C121-N347 PolarHBondContact O-N 3.44Å; N347-R367 CarbonylContact C-O 3.59Å; N347-R367 VanDerWaalsContact CA-O 3.26Å; N347-R367 WeakPolarHBondContact CA-O 3.4Å; N347-G369 PolarHBondContact OD1-N 2.97Å
348	I	98.5	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	153.4	-173.9	-159.8	67.6	0	0	0	111.1	I119 N120 M198 M303 A307 K350 R367	I119-I348 HydrophobicContact CG2-CD1 4.3Å; N120-I348 HydrophobicContact CB-CD1 4.28Å; M198-I348 HydrophobicContact SD-CD1 4.08Å; M303-I348 HydrophobicContact CE-CD1 4.43Å; M303-I348 HydrophobicContact CG-CD1 4.44Å; M303-I348 HydrophobicContact SD-CD1 4.42Å; A307-I348 HydrophobicContact CB-CD1 3.77Å; I348-K350 HydrophobicContact CG1-CG 4.09Å; I348-K350 HydrophobicContact CG2-CD 4.49Å; I348-K350 HydrophobicContact CG2-CG 4.02Å; I348-R367 HydrophobicContact CG2-CB 4.44Å; I348-R367 PolarHBondContact N-O 3.42Å; I348-R367 PolarHBondContact O-N 2.64Å
349	A	98.6	Very high	97.2	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.017	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.7	160.9	0	0	0	0	0	109.6	I110 V115 M303 V365	I110-A349 HydrophobicContact CD1-CB 3.88Å; V115-A349 HydrophobicContact CG2-CB 3.64Å; M303-A349 HydrophobicContact CE-CB 4.13Å; M303-A349 WeakPolarHBondContact CE-O 3.34Å; M303-A349 HydrophobicContact SD-CB 3.81Å; A349-V365 CarbonylContact C-O 3.55Å; A349-V365 VanDerWaalsContact CA-O 3.26Å; A349-V365 WeakPolarHBondContact CA-O 3.42Å
350	K	98.3	Very high	97.1	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.5	-177.8	-65.7	-151.1	176	176.1	0	112.9	E193 E194 I348 E352 C364 V365	E193-K350 IonicContact OE1-NZ 3.26Å; E193-K350 PolarHBondContact OE1-NZ 2.81Å; E194-K350 WeakPolarHBondContact OE1-CD 3.49Å; E194-K350 IonicContact OE1-NZ 2.8Å; E194-K350 PolarHBondContact OE1-NZ 3.15Å; I348-K350 HydrophobicContact CG1-CG 4.09Å; I348-K350 HydrophobicContact CG2-CD 4.49Å; I348-K350 HydrophobicContact CG2-CG 4.02Å; K350-E352 HydrophobicContact CB-CG 3.88Å; K350-E352 WeakPolarHBondContact CB-OE1 3.47Å; K350-C364 CarbonylContact O-C 3.53Å; K350-C364 VanDerWaalsContact O-CA 3.28Å; K350-C364 WeakPolarHBondContact O-CA 3.36Å; K350-V365 PolarHBondContact N-O 3.24Å; K350-V365 PolarHBondContact O-N 2.76Å
351	I	98	Very high	97.1	Very high	78 Å²	78	44 Å²	44	40%	0.4	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.1	173.1	-48.4	-50.7	0	0	0	107.1	V103 F291 T362 L363 C364	V103-I351 HydrophobicContact CG1-CD1 4.14Å; V103-I351 HydrophobicContact CG1-CG2 4.35Å; F291-I351 HydrophobicContact CE2-CD1 3.59Å; F291-I351 HydrophobicContact CZ-CD1 3.55Å; F291-I351 HydrophobicContact CZ-CG1 4.48Å; I351-T362 HydrophobicContact CG2-CG2 3.39Å; I351-L363 CarbonylContact C-O 3.35Å; I351-L363 WeakPolarHBondContact CA-O 3.5Å; I351-C364 HydrophobicContact CD1-CB 3.75Å
352	E	97.8	Very high	97.1	Very high	11 Å²	11	46 Å²	46	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.1	-171.1	-63	178.8	-179.3	0	0	110.5	K350 H354 L363 V365 R367 R372 F374	K350-E352 HydrophobicContact CB-CG 3.88Å; K350-E352 WeakPolarHBondContact CB-OE1 3.47Å; E352-H354 WeakPolarHBondContact CB-NE2 3.41Å; E352-H354 IonicContact OE2-CE1 3.69Å; E352-H354 IonicContact OE2-NE2 2.74Å; E352-H354 PolarHBondContact OE2-NE2 3.33Å; E352-L363 PolarHBondContact N-O 2.82Å; E352-L363 PolarHBondContact O-N 3.03Å; E352-V365 HydrophobicContact CB-CG2 4.33Å; E352-R367 IonicContact OE1-CZ 3.28Å; E352-R367 IonicContact OE1-NH1 3.83Å; E352-R367 PolarHBondContact OE1-NH1 3.44Å; E352-R367 IonicContact OE1-NH2 2.65Å; E352-R367 PolarHBondContact OE1-NH2 2.82Å; E352-R367 IonicContact OE2-CZ 2.65Å; E352-R367 IonicContact OE2-NH1 3.15Å; E352-R367 IonicContact OE2-NH2 3.1Å; E352-R367 PolarHBondContact OE2-NH2 2.78Å; E352-R372 WeakPolarHBondContact OE1-CD 3.49Å; E352-F374 HydrophobicContact CG-CZ 4.37Å
353	E	97.3	Very high	97.1	Very high	123 Å²	123	45.9 Å²	45.9	58%	0.575	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	128	174.1	-63.6	-173.1	125.2	0	0	110.5	L360 K361	E353-L360 HydrophobicContact CB-CD1 4.02Å; E353-K361 WeakPolarHBondContact CA-O 3.26Å
354	H	97.6	Very high	97.1	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	149.3	-178.9	-73.4	-83.5	0	0	0	111.1	E352 K361 L363 M412 F416	E352-H354 WeakPolarHBondContact CB-NE2 3.41Å; E352-H354 IonicContact OE2-CE1 3.69Å; E352-H354 IonicContact OE2-NE2 2.74Å; E352-H354 PolarHBondContact OE2-NE2 3.33Å; H354-K361 PolarHBondContact N-O 3.22Å; H354-K361 PolarHBondContact O-N 3.31Å; H354-L363 HydrophobicContact CB-CD1 3.76Å; H354-L363 HydrophobicContact CB-CG 4.32Å; H354-M412 WeakPolarHBondContact CE1-CE 3.22Å; H354-M412 WeakPolarHBondContact ND1-CE 3.49Å; H354-F416 HydrophobicContact CB-CD1 3.77Å; H354-F416 HydrophobicContact CB-CE1 4.08Å; H354-F416 PolarHBondContact CE1-O 3.08Å; H354-F416 AromaticContact CG-CD1 3.65Å; H354-F416 AromaticContact ND1-CD1 3.57Å
355	M	95.6	Very high	97.1	Very high	118 Å²	118	45.9 Å²	45.9	58%	0.581	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.4	172.2	-67.9	-60.9	-68.3	0	0	110.1	G358 K359 L360	M355-G358 VanDerWaalsContact CE-O 3.24Å; M355-G358 WeakPolarHBondContact CE-O 3.29Å; M355-K359 WeakPolarHBondContact CA-O 3.28Å; M355-L360 HydrophobicContact SD-CB 3.98Å; M355-L360 HydrophobicContact SD-CD1 3.9Å
356	V	95.4	Very high	97.1	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118.5	177.4	-176.4	0	0	0	0	108.1	V78 G358 K359 K361 L363 F416	V78-V356 HydrophobicContact CG1-CB 4.4Å; V78-V356 HydrophobicContact CG1-CG1 3.63Å; V78-V356 HydrophobicContact CG1-CG2 3.9Å; V356-G358 PolarHBondContact O-N 3.08Å; V356-K359 PolarHBondContact N-O 3.26Å; V356-K359 PolarHBondContact O-N 2.83Å; V356-K361 HydrophobicContact CB-CD 3.96Å; V356-K361 HydrophobicContact CB-CG 4.31Å; V356-K361 HydrophobicContact CG1-CD 4.4Å; V356-K361 HydrophobicContact CG2-CB 4.3Å; V356-K361 HydrophobicContact CG2-CD 4.18Å; V356-K361 HydrophobicContact CG2-CG 4.45Å; V356-L363 HydrophobicContact CG2-CD1 4Å; V356-F416 HydrophobicContact CG2-CE1 4.05Å; V356-F416 HydrophobicContact CG2-CZ 4.29Å
357	D	91.6	Very high	97.2	Very high	153 Å²	153	45.7 Å²	45.7	82%	0.818	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	41.8	-177.2	-56.5	-35.9	0	0	0	113	K359	D357-K359 VanDerWaalsContact C-N 3.28Å; D357-K359 PolarHBondContact O-N 2.75Å
358	G	93	Very high	97.2	Very high	66 Å²	66	45.2 Å²	45.2	68%	0.68	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	7.5	179.7	0	0	0	0	0	115.2	M355 V356	M355-G358 VanDerWaalsContact CE-O 3.24Å; M355-G358 WeakPolarHBondContact CE-O 3.29Å; V356-G358 PolarHBondContact O-N 3.08Å
359	K	95.8	Very high	97.1	Very high	148 Å²	148	45.2 Å²	45.2	64%	0.643	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.5	176.5	-64.4	179.9	-179.6	178.3	0	111.2	M355 V356 D357 K361	M355-K359 WeakPolarHBondContact CA-O 3.28Å; V356-K359 PolarHBondContact N-O 3.26Å; V356-K359 PolarHBondContact O-N 2.83Å; D357-K359 VanDerWaalsContact C-N 3.28Å; D357-K359 PolarHBondContact O-N 2.75Å; K359-K361 PolarHBondContact O-N 3.41Å
360	L	96.6	Very high	97.1	Very high	108 Å²	108	45.1 Å²	45.1	57%	0.565	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	129	170.8	-167.9	67	0	0	0	109.1	E353 M355	E353-L360 HydrophobicContact CB-CD1 4.02Å; M355-L360 HydrophobicContact SD-CB 3.98Å; M355-L360 HydrophobicContact SD-CD1 3.9Å
361	K	97.7	Very high	97.1	Very high	68 Å²	68	44.8 Å²	44.8	30%	0.296	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.8	176.8	-70.6	-163.5	167.2	-151.2	0	110.8	D102 E353 H354 V356 K359 L363	D102-K361 WeakPolarHBondContact OD2-CD 3.19Å; D102-K361 WeakPolarHBondContact OD2-CE 3.18Å; D102-K361 IonicContact OD2-NZ 3.31Å; D102-K361 PolarHBondContact OD2-NZ 2.92Å; E353-K361 WeakPolarHBondContact CA-O 3.26Å; H354-K361 PolarHBondContact N-O 3.22Å; H354-K361 PolarHBondContact O-N 3.31Å; V356-K361 HydrophobicContact CB-CD 3.96Å; V356-K361 HydrophobicContact CB-CG 4.31Å; V356-K361 HydrophobicContact CG1-CD 4.4Å; V356-K361 HydrophobicContact CG2-CB 4.3Å; V356-K361 HydrophobicContact CG2-CD 4.18Å; V356-K361 HydrophobicContact CG2-CG 4.45Å; K359-K361 PolarHBondContact O-N 3.41Å; K361-L363 HydrophobicContact CB-CD2 3.92Å; K361-L363 HydrophobicContact CB-CG 4.43Å
362	T	98.2	Very high	97.2	Very high	42 Å²	42	41.1 Å²	41.1	26%	0.258	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	116.6	171.1	-55.5	0	0	0	0	109.1	V103 I351	V103-T362 HydrophobicContact CG1-CG2 4.37Å; V103-T362 HydrophobicContact CG2-CG2 3.64Å; V103-T362 WeakPolarHBondContact CG2-O 3.23Å; V103-T362 PolarHBondContact N-O 3.21Å; I351-T362 HydrophobicContact CG2-CG2 3.39Å
363	L	98.4	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.5	-175.1	-54.2	-175.1	0	0	0	111.1	V78 A100 F101 D102 I351 E352 H354 V356 K361 V365 F416	V78-L363 HydrophobicContact CB-CD2 4.43Å; V78-L363 HydrophobicContact CG1-CD2 4.39Å; V78-L363 HydrophobicContact CG2-CD2 4.06Å; A100-L363 HydrophobicContact CB-CB 4.23Å; A100-L363 HydrophobicContact CB-CD1 3.86Å; F101-L363 CarbonylContact O-C 3.5Å; F101-L363 VanDerWaalsContact O-CA 3.28Å; F101-L363 WeakPolarHBondContact O-CA 3.36Å; D102-L363 HydrophobicContact CB-CD2 4.14Å; I351-L363 CarbonylContact C-O 3.35Å; I351-L363 WeakPolarHBondContact CA-O 3.5Å; E352-L363 PolarHBondContact N-O 2.82Å; E352-L363 PolarHBondContact O-N 3.03Å; H354-L363 HydrophobicContact CB-CD1 3.76Å; H354-L363 HydrophobicContact CB-CG 4.32Å; V356-L363 HydrophobicContact CG2-CD1 4Å; K361-L363 HydrophobicContact CB-CD2 3.92Å; K361-L363 HydrophobicContact CB-CG 4.43Å; L363-V365 HydrophobicContact CB-CG2 4.15Å; L363-F416 HydrophobicContact CD1-CD1 4.16Å; L363-F416 HydrophobicContact CD1-CE1 3.81Å; L363-F416 HydrophobicContact CD1-CE2 4.25Å; L363-F416 HydrophobicContact CD1-CZ 3.85Å
364	C	98.6	Very high	97.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	104.8	159.9	-172.2	0	0	0	0	108.8	A100 F101 V103 I110 F291 K350 I351	A100-C364 CarbonylContact C-O 3.47Å; A100-C364 WeakPolarHBondContact CA-O 3.39Å; F101-C364 PolarHBondContact N-O 3.47Å; F101-C364 PolarHBondContact O-N 2.75Å; V103-C364 HydrophobicContact CG1-CB 4.06Å; I110-C364 VanDerWaalsContact CD1-SG 3.53Å; F291-C364 HydrophobicContact CD2-CB 4.08Å; F291-C364 HydrophobicContact CE2-CB 3.78Å; K350-C364 CarbonylContact O-C 3.53Å; K350-C364 VanDerWaalsContact O-CA 3.28Å; K350-C364 WeakPolarHBondContact O-CA 3.36Å; I351-C364 HydrophobicContact CD1-CB 3.75Å
365	V	98.7	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	110.6	-179.3	-171.5	0	0	0	0	109.6	M98 A100 A349 K350 E352 L363 R367	M98-V365 HydrophobicContact CG-CG1 3.87Å; M98-V365 HydrophobicContact SD-CG1 3.94Å; A100-V365 HydrophobicContact CB-CG2 4.15Å; A349-V365 CarbonylContact C-O 3.55Å; A349-V365 VanDerWaalsContact CA-O 3.26Å; A349-V365 WeakPolarHBondContact CA-O 3.42Å; K350-V365 PolarHBondContact N-O 3.24Å; K350-V365 PolarHBondContact O-N 2.76Å; E352-V365 HydrophobicContact CB-CG2 4.33Å; L363-V365 HydrophobicContact CB-CG2 4.15Å; V365-R367 HydrophobicContact CG1-CG 4.14Å
366	H	98.8	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.5	169.8	-70.3	79.4	0	0	0	110.2	F93 M98 A99 F101 I110 S111	F93-H366 HydrophobicContact CE1-CB 4.41Å; M98-H366 VanDerWaalsContact CA-O 3.29Å; M98-H366 WeakPolarHBondContact CA-O 3.23Å; A99-H366 PolarHBondContact N-O 3.43Å; A99-H366 VanDerWaalsContact N-O 3.14Å; A99-H366 PolarHBondContact O-N 2.87Å; F101-H366 AromaticContact CD2-CE1 3.74Å; F101-H366 AromaticContact CD2-ND1 3.4Å; F101-H366 WeakPolarHBondContact CD2-ND1 3.36Å; F101-H366 AromaticContact CE2-CE1 3.88Å; F101-H366 AromaticContact CE2-ND1 3.43Å; F101-H366 WeakPolarHBondContact CE2-ND1 3.45Å; I110-H366 VanDerWaalsContact CD1-CE1 3.48Å; I110-H366 WeakPolarHBondContact CD1-CE1 3.14Å; I110-H366 WeakPolarHBondContact CD1-NE2 3.45Å; S111-H366 PolarHBondContact N-NE2 3.06Å; S111-H366 PolarHBondContact O-CD2 3Å
367	R	98.8	Very high	97.5	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.5	175.6	-69.8	-169.1	-174.7	93.3	-0.3	108.9	M98 N347 I348 E352 V365 S370 F416 T418	M98-R367 HydrophobicContact CG-CG 4.35Å; N347-R367 CarbonylContact C-O 3.59Å; N347-R367 VanDerWaalsContact CA-O 3.26Å; N347-R367 WeakPolarHBondContact CA-O 3.4Å; I348-R367 HydrophobicContact CG2-CB 4.44Å; I348-R367 PolarHBondContact N-O 3.42Å; I348-R367 PolarHBondContact O-N 2.64Å; E352-R367 IonicContact OE1-CZ 3.28Å; E352-R367 IonicContact OE1-NH1 3.83Å; E352-R367 PolarHBondContact OE1-NH1 3.44Å; E352-R367 IonicContact OE1-NH2 2.65Å; E352-R367 PolarHBondContact OE1-NH2 2.82Å; E352-R367 IonicContact OE2-CZ 2.65Å; E352-R367 IonicContact OE2-NH1 3.15Å; E352-R367 IonicContact OE2-NH2 3.1Å; E352-R367 PolarHBondContact OE2-NH2 2.78Å; V365-R367 HydrophobicContact CG1-CG 4.14Å; R367-S370 WeakPolarHBondContact CA-OG 3.43Å; R367-S370 WeakPolarHBondContact CB-O 3.5Å; R367-S370 WeakPolarHBondContact CB-OG 3.48Å; R367-F416 PolarHBondContact NH2-O 3.47Å; R367-F416 VanDerWaalsContact NH2-O 3.13Å; R367-T418 HydrophobicContact CG-CG2 4.03Å; R367-T418 PolarHBondContact NE-OG1 2.79Å; R367-T418 PolarHBondContact NH2-OG1 2.79Å
368	K	98.2	Very high	97.8	Very high	10 Å²	10	30.5 Å²	30.5	4%	0.043	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	114.1	175.5	178	-177.9	-176.6	179.1	0	110.1	Y91 F93 G96 N97 G113 G114 H346 S370	Y91-K368 PolarHBondContact O-NZ 3.12Å; F93-K368 HydrophobicContact CB-CD 3.99Å; F93-K368 PolarHBondContact O-NZ 3.18Å; G96-K368 WeakPolarHBondContact CA-O 3.25Å; G96-K368 PolarHBondContact N-O 2.98Å; N97-K368 PolarHBondContact N-O 3.39Å; N97-K368 PolarHBondContact O-N 3.14Å; G113-K368 WeakPolarHBondContact O-CD 3.4Å; G113-K368 WeakPolarHBondContact O-CE 3.2Å; G113-K368 PolarHBondContact O-NZ 2.76Å; G114-K368 WeakPolarHBondContact O-CB 3.26Å; H346-K368 CarbonylContact O-C 3.49Å; K368-S370 PolarHBondContact N-OG 3.1Å
369	G	97.3	Very high	97.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	57	41.5	-167	0	0	0	0	0	111.6	G96 H346 N347 H421	G96-G369 VanDerWaalsContact CA-O 3.26Å; G96-G369 WeakPolarHBondContact CA-O 3.43Å; G96-G369 PolarHBondContact N-O 3.02Å; H346-G369 WeakPolarHBondContact O-CA 3.22Å; H346-G369 PolarHBondContact O-N 3.34Å; N347-G369 PolarHBondContact OD1-N 2.97Å; G369-H421 VanDerWaalsContact C-CG 3.47Å; G369-H421 WeakPolarHBondContact CA-ND1 3.41Å; G369-H421 PolarHBondContact O-ND1 3.47Å
370	S	97.9	Very high	97.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	144.5	179.6	60.5	0	0	0	0	109.9	H346 R367 K368 T419	H346-S370 CarbonylContact C-O 3.51Å; H346-S370 WeakPolarHBondContact CA-O 3.36Å; H346-S370 PolarHBondContact O-N 3.33Å; R367-S370 WeakPolarHBondContact CA-OG 3.43Å; R367-S370 WeakPolarHBondContact CB-O 3.5Å; R367-S370 WeakPolarHBondContact CB-OG 3.48Å; K368-S370 PolarHBondContact N-OG 3.1Å; S370-T419 CarbonylContact C-O 3.53Å; S370-T419 WeakPolarHBondContact CA-O 3.47Å
371	T	98.4	Very high	97.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.6	-166.9	-50.6	0	0	0	0	111	V344 V392 T418 T419 C420 H421	V344-T371 HydrophobicContact CB-CG2 3.73Å; V344-T371 HydrophobicContact CG1-CG2 4.25Å; V344-T371 HydrophobicContact CG2-CG2 3.77Å; T371-V392 HydrophobicContact CG2-CG1 3.71Å; T371-T418 CarbonylContact O-C 3.59Å; T371-T418 VanDerWaalsContact O-CA 3.31Å; T371-T418 WeakPolarHBondContact O-CA 3.31Å; T371-T418 WeakPolarHBondContact O-CG2 3.25Å; T371-T419 PolarHBondContact N-O 2.85Å; T371-T419 PolarHBondContact O-N 2.77Å; T371-C420 WeakPolarHBondContact CB-O 3.48Å; T371-C420 PolarHBondContact OG1-O 3.3Å; T371-H421 WeakPolarHBondContact OG1-CA 3.45Å; T371-H421 WeakPolarHBondContact OG1-CB 3.45Å
372	R	98.7	Very high	97.8	Very high	2 Å²	2	22 Å²	22	1%	0.008	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.1	170.8	-162.7	173.7	80.2	-175.6	-5.6	110.5	E193 E194 E352 F374 Q390 G417	E193-R372 WeakPolarHBondContact OE1-CD 3.43Å; E193-R372 IonicContact OE1-CZ 3.78Å; E193-R372 IonicContact OE1-NE 2.81Å; E193-R372 PolarHBondContact OE1-NE 3.19Å; E193-R372 VanDerWaalsContact OE1-NE 3.12Å; E193-R372 IonicContact OE1-NH1 3.47Å; E193-R372 PolarHBondContact OE1-NH1 3.5Å; E193-R372 IonicContact OE1-NH2 2.9Å; E194-R372 IonicContact OE1-CZ 3.79Å; E194-R372 IonicContact OE1-NH1 3.3Å; E194-R372 PolarHBondContact OE1-NH1 3.14Å; E194-R372 IonicContact OE1-NH2 3.2Å; E352-R372 WeakPolarHBondContact OE1-CD 3.49Å; R372-F374 VanDerWaalsContact CD-CE2 3.41Å; R372-F374 VanDerWaalsContact CD-CZ 3.41Å; R372-F374 HydrophobicContact CG-CD1 3.96Å; R372-F374 HydrophobicContact CG-CD2 4.21Å; R372-F374 HydrophobicContact CG-CE1 3.86Å; R372-F374 HydrophobicContact CG-CE2 4.13Å; R372-F374 HydrophobicContact CG-CG 4.15Å; R372-F374 HydrophobicContact CG-CZ 3.98Å; R372-F374 VanDerWaalsContact CZ-CE2 3.47Å; R372-F374 VanDerWaalsContact NE-CE2 3.25Å; R372-Q390 PolarHBondContact O-OE1 3.11Å; R372-G417 CarbonylContact C-O 2.91Å; R372-G417 WeakPolarHBondContact CA-O 3.35Å
373	A	98.6	Very high	97.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.			trans	-143.5	59.1	-171.5	0	0	0	0	0	110.1	V392 G407 G417 T419	A373-V392 HydrophobicContact CB-CG2 3.71Å; A373-G407 WeakPolarHBondContact O-CA 3.25Å; A373-G417 PolarHBondContact N-O 3.25Å; A373-T419 HydrophobicContact CB-CG2 3.76Å
374	F	98.7	Very high	97.7	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.009	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-63.7	143.6	-177.1	-74.5	-26	0	0	0	113.5	E352 R372 H378 L380 I381 Q390 G407 M412	E352-F374 HydrophobicContact CG-CZ 4.37Å; R372-F374 VanDerWaalsContact CD-CE2 3.41Å; R372-F374 VanDerWaalsContact CD-CZ 3.41Å; R372-F374 HydrophobicContact CG-CD1 3.96Å; R372-F374 HydrophobicContact CG-CD2 4.21Å; R372-F374 HydrophobicContact CG-CE1 3.86Å; R372-F374 HydrophobicContact CG-CE2 4.13Å; R372-F374 HydrophobicContact CG-CG 4.15Å; R372-F374 HydrophobicContact CG-CZ 3.98Å; R372-F374 VanDerWaalsContact CZ-CE2 3.47Å; R372-F374 VanDerWaalsContact NE-CE2 3.25Å; F374-H378 HydrophobicContact CB-CB 3.91Å; F374-H378 AromaticContact CD2-CE1 3.44Å; F374-H378 VanDerWaalsContact CD2-CE1 3.44Å; F374-H378 WeakPolarHBondContact CD2-CE1 3.21Å; F374-H378 AromaticContact CD2-CG 3.81Å; F374-H378 AromaticContact CD2-ND1 3.28Å; F374-H378 VanDerWaalsContact CD2-ND1 3.28Å; F374-H378 WeakPolarHBondContact CD2-ND1 3.26Å; F374-H378 AromaticContact CE1-NE2 3.98Å; F374-H378 AromaticContact CE2-CE1 3.29Å; F374-H378 WeakPolarHBondContact CE2-CE1 3.08Å; F374-H378 AromaticContact CE2-ND1 3.62Å; F374-H378 AromaticContact CE2-NE2 3.93Å; F374-H378 HydrophobicContact CG-CB 4.44Å; F374-H378 AromaticContact CG-CD2 3.95Å; F374-H378 AromaticContact CG-CE1 3.92Å; F374-H378 AromaticContact CG-CG 3.78Å; F374-H378 AromaticContact CG-ND1 3.75Å; F374-H378 AromaticContact CZ-CE1 3.66Å; F374-H378 AromaticContact CZ-NE2 3.9Å; F374-L380 HydrophobicContact CD2-CB 4.24Å; F374-L380 HydrophobicContact CE2-CB 3.99Å; F374-L380 HydrophobicContact CE2-CD1 3.89Å; F374-L380 HydrophobicContact CE2-CG 4.48Å; F374-L380 HydrophobicContact CZ-CD1 4.47Å; F374-I381 HydrophobicContact CB-CG2 3.79Å; F374-I381 HydrophobicContact CD2-CG2 4.34Å; F374-Q390 HydrophobicContact CB-CB 4.15Å; F374-Q390 WeakPolarHBondContact O-CB 3.21Å; F374-Q390 PolarHBondContact O-N 2.97Å; F374-G407 VanDerWaalsContact O-CA 3.31Å; F374-G407 WeakPolarHBondContact O-CA 3.49Å; F374-M412 HydrophobicContact CD1-SD 4.15Å; F374-M412 HydrophobicContact CE1-SD 4.41Å
375	P	98.5	Very high	97.6	Very high	6 Å²	6	29 Å²	29	4%	0.039	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-68.7	167.5	-176.5	31.1	-36.9	0	0	0	111.9	H378 I381 M412	P375-H378 HydrophobicContact CG-CB 4.38Å; P375-H378 WeakPolarHBondContact O-CB 3.25Å; P375-H378 PolarHBondContact O-N 3.19Å; P375-I381 WeakPolarHBondContact O-CD1 3.4Å; P375-M412 HydrophobicContact CG-CB 4.02Å; P375-M412 HydrophobicContact CG-CG 4.16Å
376	P	98.4	Very high	97.6	Very high	41 Å²	41	30.9 Å²	30.9	27%	0.266	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	147.6	161.8	-24.6	33.5	0	0	0	111.5	H378 Q386	P376-H378 PolarHBondContact O-N 3.49Å; P376-Q386 CarbonylContact C-O 3.6Å; P376-Q386 WeakPolarHBondContact CA-O 3.38Å
377	H	97.7	Very high	97.5	Very high	118 Å²	118	38.5 Å²	38.5	55%	0.546	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	7.2	178.6	-52.2	-63	0	0	0	116.2	Q386 F387	H377-Q386 VanDerWaalsContact CA-OE1 3.28Å; H377-Q386 PolarHBondContact N-O 2.59Å; H377-Q386 PolarHBondContact ND1-O 3.5Å; H377-F387 AromaticContact CE1-CD1 3.45Å; H377-F387 VanDerWaalsContact CE1-CD1 3.45Å; H377-F387 WeakPolarHBondContact CE1-CD1 3.34Å; H377-F387 AromaticContact CE1-CE1 3.55Å
378	H	97.5	Very high	97.4	Very high	29 Å²	29	39.5 Å²	39.5	13%	0.134	21%	0.21	C	C	.	.			trans	-67.4	134.6	175.8	-165.8	-82.7	0	0	0	110.8	F374 P375 P376 L380 I381 Q386	F374-H378 HydrophobicContact CB-CB 3.91Å; F374-H378 AromaticContact CD2-CE1 3.44Å; F374-H378 VanDerWaalsContact CD2-CE1 3.44Å; F374-H378 WeakPolarHBondContact CD2-CE1 3.21Å; F374-H378 AromaticContact CD2-CG 3.81Å; F374-H378 AromaticContact CD2-ND1 3.28Å; F374-H378 VanDerWaalsContact CD2-ND1 3.28Å; F374-H378 WeakPolarHBondContact CD2-ND1 3.26Å; F374-H378 AromaticContact CE1-NE2 3.98Å; F374-H378 AromaticContact CE2-CE1 3.29Å; F374-H378 WeakPolarHBondContact CE2-CE1 3.08Å; F374-H378 AromaticContact CE2-ND1 3.62Å; F374-H378 AromaticContact CE2-NE2 3.93Å; F374-H378 HydrophobicContact CG-CB 4.44Å; F374-H378 AromaticContact CG-CD2 3.95Å; F374-H378 AromaticContact CG-CE1 3.92Å; F374-H378 AromaticContact CG-CG 3.78Å; F374-H378 AromaticContact CG-ND1 3.75Å; F374-H378 AromaticContact CZ-CE1 3.66Å; F374-H378 AromaticContact CZ-NE2 3.9Å; P375-H378 HydrophobicContact CG-CB 4.38Å; P375-H378 WeakPolarHBondContact O-CB 3.25Å; P375-H378 PolarHBondContact O-N 3.19Å; P376-H378 PolarHBondContact O-N 3.49Å; H378-L380 PolarHBondContact ND1-N 3.29Å; H378-L380 PolarHBondContact O-N 3.27Å; H378-L380 VanDerWaalsContact O-N 3.13Å; H378-I381 HydrophobicContact CB-CG2 4.17Å; H378-I381 VanDerWaalsContact O-CG1 3.32Å; H378-I381 WeakPolarHBondContact O-CG1 3.31Å; H378-I381 PolarHBondContact O-N 3.24Å; H378-Q386 PolarHBondContact O-NE2 2.82Å
379	P	95.6	Very high	97.4	Very high	109 Å²	109	39 Å²	39	71%	0.708	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.1	-174.3	24.3	-35	0	0	0	114
380	L	95.2	Very high	97.5	Very high	85 Å²	85	39 Å²	39	45%	0.445	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	3	-179.1	-58.9	-178.5	0	0	0	114.9	F374 H378	F374-L380 HydrophobicContact CD2-CB 4.24Å; F374-L380 HydrophobicContact CE2-CB 3.99Å; F374-L380 HydrophobicContact CE2-CD1 3.89Å; F374-L380 HydrophobicContact CE2-CG 4.48Å; F374-L380 HydrophobicContact CZ-CD1 4.47Å; H378-L380 PolarHBondContact ND1-N 3.29Å; H378-L380 PolarHBondContact O-N 3.27Å; H378-L380 VanDerWaalsContact O-N 3.13Å
381	I	96.2	Very high	97.5	Very high	4 Å²	4	39 Å²	39	2%	0.021	21%	0.207	C	C	.	.	S	Bend	trans	-95.7	149.1	175.3	71.6	178.3	0	0	0	110.9	F374 P375 H378 Y385 Q386 Q390	F374-I381 HydrophobicContact CB-CG2 3.79Å; F374-I381 HydrophobicContact CD2-CG2 4.34Å; P375-I381 WeakPolarHBondContact O-CD1 3.4Å; H378-I381 HydrophobicContact CB-CG2 4.17Å; H378-I381 VanDerWaalsContact O-CG1 3.32Å; H378-I381 WeakPolarHBondContact O-CG1 3.31Å; H378-I381 PolarHBondContact O-N 3.24Å; I381-Y385 VanDerWaalsContact CD1-O 3.23Å; I381-Y385 WeakPolarHBondContact CD1-O 3.23Å; I381-Q386 VanDerWaalsContact CG1-NE2 3.27Å; I381-Q386 PolarHBondContact O-NE2 3.12Å; I381-Q390 HydrophobicContact CG2-CB 3.71Å; I381-Q390 HydrophobicContact CG2-CG 4.09Å
382	P	96.6	Very high	97.5	Very high	12 Å²	12	39 Å²	39	8%	0.078	21%	0.207	C	C	.	.			trans	-54.5	149.2	178.3	-24.7	33.6	0	0	0	112.4	E190 Y342 D384 Y385 Q386	E190-P382 VanDerWaalsContact O-CG 3.32Å; E190-P382 WeakPolarHBondContact O-CG 3.18Å; Y342-P382 HydrophobicContact CD2-CG 4.21Å; Y342-P382 HydrophobicContact CE2-CG 3.55Å; P382-D384 PolarHBondContact O-N 3.1Å; P382-Y385 HydrophobicContact CB-CD2 3.91Å; P382-Y385 HydrophobicContact CB-CE2 4.39Å; P382-Y385 HydrophobicContact CG-CD2 3.78Å; P382-Y385 HydrophobicContact CG-CE2 4.21Å; P382-Y385 PolarHBondContact O-N 3.07Å; P382-Q386 PolarHBondContact O-N 3.46Å
383	V	96.2	Very high	97.5	Very high	109 Å²	109	39 Å²	39	66%	0.661	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-54.9	-39.2	-175	65	0	0	0	0	112.4	Y385 Q386	V383-Y385 PolarHBondContact O-N 2.84Å; V383-Q386 WeakPolarHBondContact O-CB 3.17Å; V383-Q386 VanDerWaalsContact O-CG 3.25Å; V383-Q386 WeakPolarHBondContact O-CG 3.37Å; V383-Q386 PolarHBondContact O-N 3Å
384	D	96.3	Very high	97.5	Very high	76 Å²	76	39 Å²	39	41%	0.406	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-70.6	-19.5	-177.7	-62.4	-33.1	0	0	0	113.4	P382	P382-D384 PolarHBondContact O-N 3.1Å
385	Y	98	Very high	97.2	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.02	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-103.3	2.7	-178.4	-54.7	-29.2	0	0	0	113.5	H191 K238 M239 I341 Y342 I381 P382 V383 F387 T388 G389 P391	H191-Y385 AromaticContact CD2-CE2 3.6Å; H191-Y385 AromaticContact CD2-CZ 3.72Å; H191-Y385 PolarHBondContact CD2-OH 3.16Å; K238-Y385 HydrophobicContact CB-CD1 4.28Å; K238-Y385 HydrophobicContact CB-CE1 4.36Å; K238-Y385 WeakPolarHBondContact O-CE1 3.47Å; M239-Y385 HydrophobicContact CG-CE1 3.86Å; I341-Y385 WeakPolarHBondContact O-CE2 3.36Å; I341-Y385 PolarHBondContact O-OH 3.48Å; Y342-Y385 HydrophobicContact CD2-CE2 4.17Å; I381-Y385 VanDerWaalsContact CD1-O 3.23Å; I381-Y385 WeakPolarHBondContact CD1-O 3.23Å; P382-Y385 HydrophobicContact CB-CD2 3.91Å; P382-Y385 HydrophobicContact CB-CE2 4.39Å; P382-Y385 HydrophobicContact CG-CD2 3.78Å; P382-Y385 HydrophobicContact CG-CE2 4.21Å; P382-Y385 PolarHBondContact O-N 3.07Å; V383-Y385 PolarHBondContact O-N 2.84Å; Y385-F387 PolarHBondContact O-N 3.47Å; Y385-F387 VanDerWaalsContact O-N 3.07Å; Y385-T388 WeakPolarHBondContact CA-OG1 3.35Å; Y385-T388 PolarHBondContact O-N 3.38Å; Y385-T388 PolarHBondContact O-OG1 3.33Å; Y385-T388 VanDerWaalsContact O-OG1 3.13Å; Y385-G389 PolarHBondContact O-N 3.42Å; Y385-P391 HydrophobicContact CD2-CG 3.32Å; Y385-P391 HydrophobicContact CE2-CG 3.32Å; Y385-P391 HydrophobicContact CG-CG 3.98Å
386	Q	97.3	Very high	96.8	Very high	39 Å²	39	39.4 Å²	39.4	18%	0.182	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.3	-179.6	-74.3	-69.4	-35	0	0	113.3	P376 H377 H378 I381 P382 V383	P376-Q386 CarbonylContact C-O 3.6Å; P376-Q386 WeakPolarHBondContact CA-O 3.38Å; H377-Q386 VanDerWaalsContact CA-OE1 3.28Å; H377-Q386 PolarHBondContact N-O 2.59Å; H377-Q386 PolarHBondContact ND1-O 3.5Å; H378-Q386 PolarHBondContact O-NE2 2.82Å; I381-Q386 VanDerWaalsContact CG1-NE2 3.27Å; I381-Q386 PolarHBondContact O-NE2 3.12Å; P382-Q386 PolarHBondContact O-N 3.46Å; V383-Q386 WeakPolarHBondContact O-CB 3.17Å; V383-Q386 VanDerWaalsContact O-CG 3.25Å; V383-Q386 WeakPolarHBondContact O-CG 3.37Å; V383-Q386 PolarHBondContact O-N 3Å
387	F	96.9	Very high	96.3	Very high	161 Å²	161	37.7 Å²	37.7	71%	0.706	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-12.6	179.3	-64	-81.9	0	0	0	114.3	H377 Y385	H377-F387 AromaticContact CE1-CD1 3.45Å; H377-F387 VanDerWaalsContact CE1-CD1 3.45Å; H377-F387 WeakPolarHBondContact CE1-CD1 3.34Å; H377-F387 AromaticContact CE1-CE1 3.55Å; Y385-F387 PolarHBondContact O-N 3.47Å; Y385-F387 VanDerWaalsContact O-N 3.07Å
388	T	97.6	Very high	95.9	Very high	21 Å²	21	32.3 Å²	32.3	13%	0.129	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-22.1	-172.3	58.3	0	0	0	0	112.5	A235 K238 Y385 T406	A235-T388 HydrophobicContact CB-CG2 3.83Å; K238-T388 HydrophobicContact CB-CG2 4.37Å; K238-T388 HydrophobicContact CG-CG2 4.13Å; Y385-T388 WeakPolarHBondContact CA-OG1 3.35Å; Y385-T388 PolarHBondContact O-N 3.38Å; Y385-T388 PolarHBondContact O-OG1 3.33Å; Y385-T388 VanDerWaalsContact O-OG1 3.13Å; T388-T406 WeakPolarHBondContact O-CB 3.17Å; T388-T406 PolarHBondContact O-OG1 2.91Å
389	G	98.3	Very high	95.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.			trans	87.8	166.9	-168.6	0	0	0	0	0	111.9	Y385	Y385-G389 PolarHBondContact O-N 3.42Å
390	Q	98.6	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.			trans	-59.7	129.2	-178.6	-166.1	-179.6	-1	0	0	110.3	Y342 R372 F374 I381 V392 T406 G407	Y342-Q390 HydrophobicContact CD1-CG 4.39Å; Y342-Q390 HydrophobicContact CE1-CG 3.46Å; Y342-Q390 VanDerWaalsContact CE1-CG 3.46Å; Y342-Q390 PolarHBondContact OH-NE2 3.24Å; R372-Q390 PolarHBondContact O-OE1 3.11Å; F374-Q390 HydrophobicContact CB-CB 4.15Å; F374-Q390 WeakPolarHBondContact O-CB 3.21Å; F374-Q390 PolarHBondContact O-N 2.97Å; I381-Q390 HydrophobicContact CG2-CB 3.71Å; I381-Q390 HydrophobicContact CG2-CG 4.09Å; Q390-V392 PolarHBondContact O-N 3.11Å; Q390-T406 CarbonylContact O-C 3.52Å; Q390-T406 VanDerWaalsContact O-CA 3.28Å; Q390-T406 WeakPolarHBondContact O-CA 3.45Å; Q390-G407 PolarHBondContact O-N 3.43Å
391	P	98.7	Very high	95.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	137.1	168.3	-15	25.6	0	0	0	110.2	M239 Y342 Y385 V404 L405	M239-P391 HydrophobicContact CE-CB 3.94Å; M239-P391 HydrophobicContact CE-CG 3.96Å; M239-P391 HydrophobicContact SD-CB 4.45Å; Y342-P391 HydrophobicContact CD1-CB 3.9Å; Y342-P391 HydrophobicContact CD1-CG 4.03Å; Y342-P391 WeakPolarHBondContact CD1-O 3.49Å; Y342-P391 HydrophobicContact CD2-CG 4.32Å; Y342-P391 HydrophobicContact CG-CB 4Å; Y342-P391 HydrophobicContact CG-CG 3.86Å; Y385-P391 HydrophobicContact CD2-CG 3.32Å; Y385-P391 HydrophobicContact CE2-CG 3.32Å; Y385-P391 HydrophobicContact CG-CG 3.98Å; P391-V404 HydrophobicContact CB-CG1 4.44Å; P391-L405 CarbonylContact C-O 3.39Å; P391-L405 WeakPolarHBondContact CA-O 3.42Å
392	V	98.5	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.7	176.6	-174.1	0	0	0	0	108.1	T371 A373 Q390 I394 V404 L405 T419	T371-V392 HydrophobicContact CG2-CG1 3.71Å; A373-V392 HydrophobicContact CB-CG2 3.71Å; Q390-V392 PolarHBondContact O-N 3.11Å; V392-I394 HydrophobicContact CG1-CD1 3.66Å; V392-I394 HydrophobicContact CG1-CG1 4.44Å; V392-V404 CarbonylContact O-C 3.54Å; V392-V404 WeakPolarHBondContact O-CA 3.4Å; V392-L405 HydrophobicContact CB-CB 4.11Å; V392-L405 PolarHBondContact N-O 3.32Å; V392-L405 PolarHBondContact O-N 3.31Å; V392-T419 HydrophobicContact CB-CG2 4.27Å; V392-T419 HydrophobicContact CG1-CG2 3.45Å; V392-T419 VanDerWaalsContact CG1-CG2 3.45Å; V392-T419 HydrophobicContact CG2-CG2 4.13Å
393	L	98.5	Very high	95.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.5	-175.9	-52.6	180	0	0	0	109.6	V123 L125 Y342 V344 V404	V123-L393 HydrophobicContact CB-CB 3.93Å; V123-L393 HydrophobicContact CB-CD1 4.41Å; V123-L393 HydrophobicContact CG1-CB 3.7Å; V123-L393 HydrophobicContact CG1-CD1 4.08Å; V123-L393 WeakPolarHBondContact O-CD1 3.36Å; L125-L393 HydrophobicContact CB-CD1 3.66Å; L125-L393 HydrophobicContact CB-CD2 3.81Å; L125-L393 HydrophobicContact CB-CG 4.38Å; L125-L393 HydrophobicContact CD2-CD2 3.87Å; Y342-L393 WeakPolarHBondContact O-CD1 3.4Å; V344-L393 HydrophobicContact CG2-CB 3.87Å; V344-L393 HydrophobicContact CG2-CD1 4.25Å; V344-L393 HydrophobicContact CG2-CG 4.04Å; L393-V404 HydrophobicContact CD2-CG1 4.23Å; L393-V404 HydrophobicContact CD2-CG2 3.91Å
394	I	97.9	Very high	95.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107.3	-176.8	-52.2	-56.8	0	0	0	109	V392 S402 Y403 L405 C420 V471 V475	V392-I394 HydrophobicContact CG1-CD1 3.66Å; V392-I394 HydrophobicContact CG1-CG1 4.44Å; I394-S402 CarbonylContact O-C 3.44Å; I394-S402 WeakPolarHBondContact O-CA 3.43Å; I394-S402 VanDerWaalsContact O-CB 3.31Å; I394-S402 WeakPolarHBondContact O-CB 3.4Å; I394-Y403 PolarHBondContact N-O 3.01Å; I394-Y403 PolarHBondContact O-N 3.26Å; I394-L405 HydrophobicContact CD1-CD1 4.18Å; I394-L405 HydrophobicContact CG1-CD1 3.68Å; I394-L405 HydrophobicContact CG1-CG 3.82Å; I394-C420 WeakPolarHBondContact CD1-O 3.36Å; I394-V471 HydrophobicContact CG2-CG2 3.94Å; I394-V475 HydrophobicContact CB-CG2 4.48Å; I394-V475 HydrophobicContact CG1-CG2 4.49Å; I394-V475 HydrophobicContact CG2-CG2 3.97Å
395	G	92.9	Very high	95.9	Very high	6 Å²	6	15.8 Å²	15.8	6%	0.062	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-73.7	130.2	177	0	0	0	0	0	112.2	Y221 H421 G422 A423	Y221-G395 WeakPolarHBondContact OH-CA 3.49Å; G395-H421 PolarHBondContact N-O 3.43Å; G395-G422 WeakPolarHBondContact O-CA 3.47Å; G395-A423 PolarHBondContact O-N 2.93Å
396	G	89.6	Confident	95.9	Very high	11 Å²	11	15.7 Å²	15.7	11%	0.113	9%	0.085	C	C	.	.			trans	-80.4	-132.9	166.9	0	0	0	0	0	112.1	C401 S402	G396-C401 VanDerWaalsContact CA-O 3.28Å; G396-C401 WeakPolarHBondContact CA-O 3.49Å; G396-S402 PolarHBondContact N-OG 2.82Å; G396-S402 VanDerWaalsContact N-OG 3.11Å
397	T	88.1	Confident	96	Very high	6 Å²	6	14 Å²	14	4%	0.037	8%	0.078	C	C	.	.			trans	-128	172.9	171.3	70.6	0	0	0	0	108.1	G399 T400 Y468	T397-G399 PolarHBondContact O-N 3.07Å; T397-G399 PolarHBondContact OG1-N 3.36Å; T397-T400 PolarHBondContact N-OG1 3.21Å; T397-T400 PolarHBondContact O-N 2.99Å; T397-T400 WeakPolarHBondContact OG1-CG2 3.29Å; T397-T400 PolarHBondContact OG1-N 3.41Å; T397-T400 PolarHBondContact OG1-OG1 2.94Å; T397-Y468 HydrophobicContact CG2-CD1 4.25Å; T397-Y468 HydrophobicContact CG2-CD2 3.38Å; T397-Y468 HydrophobicContact CG2-CE2 4.12Å; T397-Y468 HydrophobicContact CG2-CG 3.47Å; T397-Y468 VanDerWaalsContact CG2-CG 3.47Å
398	M	88.4	Confident	96.1	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.02	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-12.1	178.4	63.4	-171.4	169.8	0	0	115.6	V441 L445 I452 V460 E463 A464 V495 K497	M398-V441 HydrophobicContact CE-CG1 3.54Å; M398-L445 HydrophobicContact CE-CD1 4.23Å; M398-L445 HydrophobicContact CG-CD1 3.91Å; M398-L445 HydrophobicContact CG-CD2 4.24Å; M398-L445 WeakPolarHBondContact O-CD2 3.39Å; M398-L445 HydrophobicContact SD-CD1 3.88Å; M398-I452 HydrophobicContact SD-CD1 3.77Å; M398-V460 HydrophobicContact CE-CG1 3.52Å; M398-V460 WeakPolarHBondContact CE-O 3.24Å; M398-V460 HydrophobicContact SD-CG1 3.99Å; M398-E463 WeakPolarHBondContact CE-O 3.35Å; M398-A464 VanDerWaalsContact CE-CA 3.47Å; M398-A464 HydrophobicContact CE-CB 4.43Å; M398-V495 HydrophobicContact CB-CB 4.46Å; M398-V495 HydrophobicContact CB-CG1 3.9Å; M398-V495 HydrophobicContact CB-CG2 4.17Å; M398-K497 HydrophobicContact SD-CD 4.43Å
399	G	90.5	Very high	96.1	Very high	8 Å²	8	11.4 Å²	11.4	8%	0.082	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	15.3	177.4	0	0	0	0	0	114	T397 L445 Q448	T397-G399 PolarHBondContact O-N 3.07Å; T397-G399 PolarHBondContact OG1-N 3.36Å; G399-L445 VanDerWaalsContact CA-CD2 3.42Å; G399-Q448 PolarHBondContact O-OE1 3.03Å
400	T	93.4	Very high	96	Very high	43 Å²	43	15.5 Å²	15.5	26%	0.264	9%	0.087	S	C	.	.	S	Bend	trans	-130.2	164	178.6	60	0	0	0	0	111.1	T397 P465 P492	T397-T400 PolarHBondContact N-OG1 3.21Å; T397-T400 PolarHBondContact O-N 2.99Å; T397-T400 WeakPolarHBondContact OG1-CG2 3.29Å; T397-T400 PolarHBondContact OG1-N 3.41Å; T397-T400 PolarHBondContact OG1-OG1 2.94Å; T400-P465 HydrophobicContact CG2-CB 3.99Å; T400-P492 VanDerWaalsContact O-CD 3.22Å; T400-P492 WeakPolarHBondContact O-CD 3.42Å
401	C	96.3	Very high	96	Very high	23 Å²	23	15.5 Å²	15.5	16%	0.155	9%	0.087	C	C	.	.			trans	-65.4	152.4	-179.4	53	0	0	0	0	112.6	G396 Y403 V471 R489 L490	G396-C401 VanDerWaalsContact CA-O 3.28Å; G396-C401 WeakPolarHBondContact CA-O 3.49Å; C401-Y403 HydrophobicContact CB-CE2 4.41Å; C401-Y403 WeakPolarHBondContact SG-CE2 3.15Å; C401-V471 VanDerWaalsContact O-CG1 3.28Å; C401-V471 WeakPolarHBondContact O-CG1 3.43Å; C401-R489 HydrophobicContact CB-CG 3.76Å; C401-L490 CarbonylContact C-O 2.94Å; C401-L490 WeakPolarHBondContact CA-O 3.44Å; C401-L490 WeakPolarHBondContact CB-O 3.35Å
402	S	98.1	Very high	96	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	165.3	164.2	-65.5	0	0	0	0	109.3	Q225 I394 G396 L490	Q225-S402 PolarHBondContact NE2-OG 2.89Å; I394-S402 CarbonylContact O-C 3.44Å; I394-S402 WeakPolarHBondContact O-CA 3.43Å; I394-S402 VanDerWaalsContact O-CB 3.31Å; I394-S402 WeakPolarHBondContact O-CB 3.4Å; G396-S402 PolarHBondContact N-OG 2.82Å; G396-S402 VanDerWaalsContact N-OG 3.11Å; S402-L490 PolarHBondContact N-O 2.67Å; S402-L490 PolarHBondContact O-N 2.72Å
403	Y	98.7	Very high	95.8	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.9	178.3	-71	-96.7	0	0	0	111.9	Y231 I394 C401 V471 S472 V475 I488 R489	Y231-Y403 HydrophobicContact CE2-CD1 4.25Å; Y231-Y403 AromaticContact CE2-CE1 3.92Å; Y231-Y403 HydrophobicContact CE2-CE1 3.92Å; I394-Y403 PolarHBondContact N-O 3.01Å; I394-Y403 PolarHBondContact O-N 3.26Å; C401-Y403 HydrophobicContact CB-CE2 4.41Å; C401-Y403 WeakPolarHBondContact SG-CE2 3.15Å; Y403-V471 HydrophobicContact CD2-CG2 4.25Å; Y403-V471 HydrophobicContact CE2-CG1 4.27Å; Y403-S472 PolarHBondContact OH-OG 3.06Å; Y403-V475 HydrophobicContact CD1-CG1 4.11Å; Y403-V475 HydrophobicContact CD2-CB 4.38Å; Y403-V475 HydrophobicContact CD2-CG2 3.75Å; Y403-V475 HydrophobicContact CE1-CG1 4.36Å; Y403-V475 HydrophobicContact CE2-CG2 4.28Å; Y403-V475 HydrophobicContact CG-CB 4.5Å; Y403-V475 HydrophobicContact CG-CG1 4.19Å; Y403-V475 HydrophobicContact CG-CG2 3.97Å; Y403-I488 CarbonylContact C-O 3.41Å; Y403-I488 VanDerWaalsContact CA-O 3.31Å; Y403-I488 WeakPolarHBondContact CA-O 3.3Å; Y403-I488 WeakPolarHBondContact CD1-O 3.26Å; Y403-R489 HydrophobicContact CD1-CB 4.06Å; Y403-R489 HydrophobicContact CD1-CG 4.21Å; Y403-R489 HydrophobicContact CE1-CB 3.77Å; Y403-R489 HydrophobicContact CE1-CG 3.7Å; Y403-R489 HydrophobicContact CE2-CG 4.34Å; Y403-R489 VanDerWaalsContact OH-CD 3.28Å; Y403-R489 WeakPolarHBondContact OH-CD 3.21Å
404	V	98.7	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.6	158.6	-176.8	0	0	0	0	106.8	L125 M239 P391 V392 L393 C487 I488 L490	L125-V404 HydrophobicContact CD2-CG2 3.43Å; L125-V404 VanDerWaalsContact CD2-CG2 3.43Å; M239-V404 HydrophobicContact CE-CG1 4.12Å; M239-V404 HydrophobicContact SD-CG1 3.65Å; P391-V404 HydrophobicContact CB-CG1 4.44Å; V392-V404 CarbonylContact O-C 3.54Å; V392-V404 WeakPolarHBondContact O-CA 3.4Å; L393-V404 HydrophobicContact CD2-CG1 4.23Å; L393-V404 HydrophobicContact CD2-CG2 3.91Å; V404-C487 WeakPolarHBondContact O-CA 3.29Å; V404-C487 VanDerWaalsContact O-CB 3.23Å; V404-C487 WeakPolarHBondContact O-CB 3.37Å; V404-C487 PolarHBondContact O-N 2.92Å; V404-I488 HydrophobicContact CB-CB 4.07Å; V404-I488 HydrophobicContact CB-CD1 4.32Å; V404-I488 HydrophobicContact CG2-CB 4.3Å; V404-I488 HydrophobicContact CG2-CD1 4.39Å; V404-I488 PolarHBondContact N-O 2.98Å; V404-I488 PolarHBondContact O-N 2.84Å; V404-L490 HydrophobicContact CG2-CD1 4.13Å
405	L	98.7	Very high	95.7	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	172.8	172.4	-40.5	179.2	0	0	0	109.3	P391 V392 I394 V475 S484 K485 K486	P391-L405 CarbonylContact C-O 3.39Å; P391-L405 WeakPolarHBondContact CA-O 3.42Å; V392-L405 HydrophobicContact CB-CB 4.11Å; V392-L405 PolarHBondContact N-O 3.32Å; V392-L405 PolarHBondContact O-N 3.31Å; I394-L405 HydrophobicContact CD1-CD1 4.18Å; I394-L405 HydrophobicContact CG1-CD1 3.68Å; I394-L405 HydrophobicContact CG1-CG 3.82Å; L405-V475 HydrophobicContact CD1-CG1 4.36Å; L405-V475 HydrophobicContact CD1-CG2 4.43Å; L405-V475 HydrophobicContact CD2-CG1 3.53Å; L405-V475 HydrophobicContact CD2-CG2 4.43Å; L405-S484 WeakPolarHBondContact CD1-OG 3.27Å; L405-K485 CarbonylContact C-O 3.55Å; L405-K485 WeakPolarHBondContact CA-O 3.43Å; L405-K485 VanDerWaalsContact CB-O 3.27Å; L405-K485 WeakPolarHBondContact CB-O 3.4Å; L405-K486 HydrophobicContact CD2-CB 4.49Å; L405-K486 HydrophobicContact CD2-CG 4.08Å
406	T	98.7	Very high	95.9	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.018	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.9	166.5	61.7	0	0	0	0	111.9	A235 M239 T388 Q390 S484 K485 C487	A235-T406 HydrophobicContact CB-CG2 4.22Å; M239-T406 HydrophobicContact CE-CG2 3.65Å; T388-T406 WeakPolarHBondContact O-CB 3.17Å; T388-T406 PolarHBondContact O-OG1 2.91Å; Q390-T406 CarbonylContact O-C 3.52Å; Q390-T406 VanDerWaalsContact O-CA 3.28Å; Q390-T406 WeakPolarHBondContact O-CA 3.45Å; T406-S484 CarbonylContact O-C 3.58Å; T406-S484 WeakPolarHBondContact O-CA 3.38Å; T406-K485 PolarHBondContact N-O 3.45Å; T406-K485 PolarHBondContact O-N 3.22Å; T406-C487 HydrophobicContact CG2-CB 4.31Å
407	G	98.6	Very high	96.3	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.021	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	158.4	173.3	0	0	0	0	0	113.1	A373 F374 Q390	A373-G407 WeakPolarHBondContact O-CA 3.25Å; F374-G407 VanDerWaalsContact O-CA 3.31Å; F374-G407 WeakPolarHBondContact O-CA 3.49Å; Q390-G407 PolarHBondContact O-N 3.43Å
408	T	98.6	Very high	96.8	Very high	25 Å²	25	24 Å²	24	15%	0.153	12%	0.122	C	C	.	.			trans	-142.2	155.7	-168.7	58.8	0	0	0	0	111.7	Q410 G411 M412 G482 I483 K485	T408-Q410 VanDerWaalsContact C-N 3.34Å; T408-Q410 PolarHBondContact O-N 2.73Å; T408-G411 PolarHBondContact O-N 3.04Å; T408-G411 PolarHBondContact OG1-N 3.33Å; T408-M412 PolarHBondContact O-N 3.04Å; T408-G482 WeakPolarHBondContact CB-O 3.34Å; T408-G482 PolarHBondContact OG1-O 3.21Å; T408-I483 PolarHBondContact OG1-O 2.94Å; T408-I483 VanDerWaalsContact OG1-O 3.05Å; T408-K485 HydrophobicContact CG2-CB 4.06Å
409	E	97.9	Very high	97.3	Very high	104 Å²	104	23.8 Å²	23.8	49%	0.486	12%	0.121	S	C	.	.	H	α-helix	trans	-62.9	-41.1	176.7	-170.8	56.9	-144.3	0	0	111.8	G411 M412 Q413	E409-G411 VanDerWaalsContact C-N 3.33Å; E409-G411 PolarHBondContact O-N 2.84Å; E409-M412 VanDerWaalsContact O-CB 3.32Å; E409-M412 WeakPolarHBondContact O-CB 3.42Å; E409-M412 PolarHBondContact O-N 3.14Å; E409-M412 VanDerWaalsContact O-N 3.1Å; E409-Q413 WeakPolarHBondContact O-CG 3.27Å; E409-Q413 PolarHBondContact O-N 2.98Å; E409-Q413 VanDerWaalsContact O-N 3.14Å; E409-Q413 PolarHBondContact OE1-NE2 2.92Å
410	Q	97.5	Very high	97.7	Very high	86 Å²	86	23.4 Å²	23.4	40%	0.402	12%	0.117	S	C	.	.	H	α-helix	trans	-64.8	-37.6	175.2	179.1	172	5	0	0	111.6	T408 M412 Q413 E414 A481 G482	T408-Q410 VanDerWaalsContact C-N 3.34Å; T408-Q410 PolarHBondContact O-N 2.73Å; Q410-M412 VanDerWaalsContact C-N 3.32Å; Q410-M412 PolarHBondContact O-N 2.96Å; Q410-Q413 PolarHBondContact O-N 3.34Å; Q410-E414 HydrophobicContact CG-CG 4.17Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.34Å; Q410-E414 PolarHBondContact NE2-OE1 3.15Å; Q410-E414 WeakPolarHBondContact O-CB 3.47Å; Q410-E414 PolarHBondContact O-N 3.42Å; Q410-A481 PolarHBondContact NE2-O 3Å; Q410-G482 WeakPolarHBondContact CB-O 3.31Å
411	G	97.9	Very high	97.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.9	-38.3	169.8	0	0	0	0	0	113.2	T408 E409 Q413 T415 F416 G417	T408-G411 PolarHBondContact O-N 3.04Å; T408-G411 PolarHBondContact OG1-N 3.33Å; E409-G411 VanDerWaalsContact C-N 3.33Å; E409-G411 PolarHBondContact O-N 2.84Å; G411-Q413 VanDerWaalsContact C-N 3.28Å; G411-Q413 PolarHBondContact O-N 2.87Å; G411-T415 CarbonylContact O-C 3.5Å; G411-T415 PolarHBondContact O-N 3.44Å; G411-T415 PolarHBondContact O-OG1 3.48Å; G411-F416 PolarHBondContact O-N 3.37Å; G411-G417 WeakPolarHBondContact O-CA 3.42Å; G411-G417 PolarHBondContact O-N 2.97Å
412	M	97.7	Very high	97.7	Very high	30 Å²	30	21.3 Å²	21.3	15%	0.148	10%	0.103	C	C	.	.	H	α-helix	trans	-59.4	-41.5	174.7	-165	60	-177.1	0	0	111.7	H354 F374 P375 T408 E409 Q410 F416	H354-M412 WeakPolarHBondContact CE1-CE 3.22Å; H354-M412 WeakPolarHBondContact ND1-CE 3.49Å; F374-M412 HydrophobicContact CD1-SD 4.15Å; F374-M412 HydrophobicContact CE1-SD 4.41Å; P375-M412 HydrophobicContact CG-CB 4.02Å; P375-M412 HydrophobicContact CG-CG 4.16Å; T408-M412 PolarHBondContact O-N 3.04Å; E409-M412 VanDerWaalsContact O-CB 3.32Å; E409-M412 WeakPolarHBondContact O-CB 3.42Å; E409-M412 PolarHBondContact O-N 3.14Å; E409-M412 VanDerWaalsContact O-N 3.1Å; Q410-M412 VanDerWaalsContact C-N 3.32Å; Q410-M412 PolarHBondContact O-N 2.96Å; M412-F416 WeakPolarHBondContact O-CA 3.36Å; M412-F416 PolarHBondContact O-N 2.83Å
413	Q	95.8	Very high	97.3	Very high	125 Å²	125	21.5 Å²	21.5	58%	0.584	11%	0.105	S	C	*	.	H	α-helix	trans	-81.1	-36.1	-177.3	-63.3	172.2	12.8	0	0	113.8	E409 Q410 G411	E409-Q413 WeakPolarHBondContact O-CG 3.27Å; E409-Q413 PolarHBondContact O-N 2.98Å; E409-Q413 VanDerWaalsContact O-N 3.14Å; E409-Q413 PolarHBondContact OE1-NE2 2.92Å; Q410-Q413 PolarHBondContact O-N 3.34Å; G411-Q413 VanDerWaalsContact C-N 3.28Å; G411-Q413 PolarHBondContact O-N 2.87Å
414	E	95.3	Very high	96.7	Very high	41 Å²	41	21.5 Å²	21.5	19%	0.192	11%	0.106	C	C	.	.	H	α-helix	trans	-98.8	-10.9	-173.2	-71.7	-161.4	-148.6	0	0	114.8	Q19 Y37 W79 Q410 I483	Q19-E414 PolarHBondContact NE2-OE2 2.86Å; Q19-E414 VanDerWaalsContact NE2-OE2 3.15Å; Y37-E414 PolarHBondContact OH-O 2.84Å; Y37-E414 PolarHBondContact OH-OE2 3.47Å; W79-E414 WeakPolarHBondContact CH2-O 3.17Å; W79-E414 WeakPolarHBondContact CZ3-O 3.34Å; Q410-E414 HydrophobicContact CG-CG 4.17Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.34Å; Q410-E414 PolarHBondContact NE2-OE1 3.15Å; Q410-E414 WeakPolarHBondContact O-CB 3.47Å; Q410-E414 PolarHBondContact O-N 3.42Å; E414-I483 HydrophobicContact CB-CG2 4.25Å
415	T	98	Very high	96.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-149.6	20	-177.2	58.8	0	0	0	0	112.6	Y37 V82 L84 M98 G411 G417 T418 I483	Y37-T415 HydrophobicContact CE2-CG2 3.86Å; V82-T415 HydrophobicContact CG1-CG2 4.23Å; L84-T415 HydrophobicContact CD2-CG2 4.5Å; M98-T415 WeakPolarHBondContact CE-O 3.4Å; G411-T415 CarbonylContact O-C 3.5Å; G411-T415 PolarHBondContact O-N 3.44Å; G411-T415 PolarHBondContact O-OG1 3.48Å; T415-G417 PolarHBondContact O-N 3.2Å; T415-T418 WeakPolarHBondContact CB-O 3.12Å; T415-T418 WeakPolarHBondContact O-CB 3.36Å; T415-T418 PolarHBondContact O-N 2.87Å; T415-T418 VanDerWaalsContact O-N 3.16Å; T415-T418 PolarHBondContact O-OG1 3.5Å; T415-T418 PolarHBondContact OG1-N 3.26Å; T415-T418 VanDerWaalsContact OG1-N 3.11Å; T415-T418 PolarHBondContact OG1-O 2.89Å; T415-I483 HydrophobicContact CG2-CB 4.4Å; T415-I483 HydrophobicContact CG2-CD1 4.35Å; T415-I483 HydrophobicContact CG2-CG2 3.87Å
416	F	98.1	Very high	95.8	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.026	13%	0.128	C	C	.	.	S	Bend	trans	50.2	44.7	-173.6	-61.4	-53.8	0	0	0	111.3	V78 W79 M98 A100 H354 V356 L363 R367 G411 M412 T418	V78-F416 HydrophobicContact CG1-CZ 4.4Å; W79-F416 HydrophobicContact CB-CE2 3.94Å; W79-F416 HydrophobicContact CB-CZ 3.57Å; W79-F416 HydrophobicContact CD2-CE2 4.31Å; W79-F416 HydrophobicContact CD2-CZ 4.15Å; W79-F416 HydrophobicContact CE3-CD2 4.34Å; W79-F416 AromaticContact CE3-CE2 3.77Å; W79-F416 HydrophobicContact CE3-CE2 3.77Å; W79-F416 HydrophobicContact CE3-CZ 4.05Å; W79-F416 HydrophobicContact CG-CE2 4.43Å; W79-F416 HydrophobicContact CG-CZ 4Å; M98-F416 HydrophobicContact CE-CB 4.44Å; M98-F416 HydrophobicContact CE-CD2 3.84Å; M98-F416 HydrophobicContact SD-CD2 3.85Å; A100-F416 HydrophobicContact CB-CD2 3.63Å; A100-F416 HydrophobicContact CB-CE2 3.58Å; A100-F416 HydrophobicContact CB-CZ 4.45Å; H354-F416 HydrophobicContact CB-CD1 3.77Å; H354-F416 HydrophobicContact CB-CE1 4.08Å; H354-F416 PolarHBondContact CE1-O 3.08Å; H354-F416 AromaticContact CG-CD1 3.65Å; H354-F416 AromaticContact ND1-CD1 3.57Å; V356-F416 HydrophobicContact CG2-CE1 4.05Å; V356-F416 HydrophobicContact CG2-CZ 4.29Å; L363-F416 HydrophobicContact CD1-CD1 4.16Å; L363-F416 HydrophobicContact CD1-CE1 3.81Å; L363-F416 HydrophobicContact CD1-CE2 4.25Å; L363-F416 HydrophobicContact CD1-CZ 3.85Å; R367-F416 PolarHBondContact NH2-O 3.47Å; R367-F416 VanDerWaalsContact NH2-O 3.13Å; G411-F416 PolarHBondContact O-N 3.37Å; M412-F416 WeakPolarHBondContact O-CA 3.36Å; M412-F416 PolarHBondContact O-N 2.83Å; F416-T418 PolarHBondContact O-OG1 2.81Å
417	G	98.1	Very high	95.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	61.5	48.9	-178.8	0	0	0	0	0	111.8	R372 A373 G411 T415	R372-G417 CarbonylContact C-O 2.91Å; R372-G417 WeakPolarHBondContact CA-O 3.35Å; A373-G417 PolarHBondContact N-O 3.25Å; G411-G417 WeakPolarHBondContact O-CA 3.42Å; G411-G417 PolarHBondContact O-N 2.97Å; T415-G417 PolarHBondContact O-N 3.2Å
418	T	98.8	Very high	94.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.1	-177.4	-49.3	0	0	0	0	112.1	L84 M98 R367 T371 T415 F416	L84-T418 HydrophobicContact CD1-CG2 4.12Å; M98-T418 HydrophobicContact CB-CG2 4.12Å; M98-T418 HydrophobicContact CG-CG2 4.01Å; R367-T418 HydrophobicContact CG-CG2 4.03Å; R367-T418 PolarHBondContact NE-OG1 2.79Å; R367-T418 PolarHBondContact NH2-OG1 2.79Å; T371-T418 CarbonylContact O-C 3.59Å; T371-T418 VanDerWaalsContact O-CA 3.31Å; T371-T418 WeakPolarHBondContact O-CA 3.31Å; T371-T418 WeakPolarHBondContact O-CG2 3.25Å; T415-T418 WeakPolarHBondContact CB-O 3.12Å; T415-T418 WeakPolarHBondContact O-CB 3.36Å; T415-T418 PolarHBondContact O-N 2.87Å; T415-T418 VanDerWaalsContact O-N 3.16Å; T415-T418 PolarHBondContact O-OG1 3.5Å; T415-T418 PolarHBondContact OG1-N 3.26Å; T415-T418 VanDerWaalsContact OG1-N 3.11Å; T415-T418 PolarHBondContact OG1-O 2.89Å; F416-T418 PolarHBondContact O-OG1 2.81Å
419	T	98.6	Very high	93.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	-177.1	175.7	-161.2	0	0	0	0	111.4	L84 S370 T371 A373 V392 C478 S484	L84-T419 VanDerWaalsContact CD1-C 3.41Å; L84-T419 WeakPolarHBondContact CD1-O 3.47Å; S370-T419 CarbonylContact C-O 3.53Å; S370-T419 WeakPolarHBondContact CA-O 3.47Å; T371-T419 PolarHBondContact N-O 2.85Å; T371-T419 PolarHBondContact O-N 2.77Å; A373-T419 HydrophobicContact CB-CG2 3.76Å; V392-T419 HydrophobicContact CB-CG2 4.27Å; V392-T419 HydrophobicContact CG1-CG2 3.45Å; V392-T419 VanDerWaalsContact CG1-CG2 3.45Å; V392-T419 HydrophobicContact CG2-CG2 4.13Å; T419-C478 PolarHBondContact OG1-SG 3.46Å; T419-S484 PolarHBondContact OG1-OG 3.01Å
420	C	98.1	Very high	93.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	167.2	178.5	62.9	0	0	0	0	112.7	D86 T371 I394 V474 C478	D86-C420 WeakPolarHBondContact OD2-CB 3.35Å; T371-C420 WeakPolarHBondContact CB-O 3.48Å; T371-C420 PolarHBondContact OG1-O 3.3Å; I394-C420 WeakPolarHBondContact CD1-O 3.36Å; C420-V474 HydrophobicContact CB-CG1 3.66Å; C420-C478 PolarHBondContact SG-SG 3.22Å
421	H	96.4	Very high	92.5	Very high	18 Å²	18	32.2 Å²	32.2	8%	0.083	17%	0.168	C	C	.	.			trans	-115.8	-24.3	176.1	78.4	-64.9	0	0	0	113.9	D86 H346 G369 T371 G395	D86-H421 IonicContact OD2-CE1 2.63Å; D86-H421 PolarHBondContact OD2-CE1 3.27Å; D86-H421 IonicContact OD2-CG 2.82Å; D86-H421 PolarHBondContact OD2-N 3.05Å; D86-H421 IonicContact OD2-ND1 3.53Å; D86-H421 PolarHBondContact OD2-ND1 3.2Å; H346-H421 HydrophobicContact CB-CB 3.44Å; H346-H421 VanDerWaalsContact CB-CB 3.44Å; H346-H421 AromaticContact CE1-CD2 3.83Å; H346-H421 AromaticContact CG-CD2 3.93Å; H346-H421 AromaticContact ND1-CD2 3.43Å; H346-H421 PolarHBondContact ND1-CD2 2.9Å; H346-H421 AromaticContact ND1-CG 3.99Å; G369-H421 VanDerWaalsContact C-CG 3.47Å; G369-H421 WeakPolarHBondContact CA-ND1 3.41Å; G369-H421 PolarHBondContact O-ND1 3.47Å; T371-H421 WeakPolarHBondContact OG1-CA 3.45Å; T371-H421 WeakPolarHBondContact OG1-CB 3.45Å; G395-H421 PolarHBondContact N-O 3.43Å
422	G	92.9	Very high	91.9	Very high	4 Å²	4	32.2 Å²	32.2	4%	0.041	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-174.6	-161.4	-174.1	0	0	0	0	0	112.3	D86 G395	D86-G422 VanDerWaalsContact CB-O 3.31Å; D86-G422 WeakPolarHBondContact CB-O 3.37Å; D86-G422 PolarHBondContact OD2-N 3.05Å; G395-G422 WeakPolarHBondContact O-CA 3.47Å
423	A	89.5	Confident	91.3	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.025	18%	0.182	C	C	.	.			trans	-68.1	-35.3	177.7	0	0	0	0	0	113.6	G395 Y468 K469 V471	G395-A423 PolarHBondContact O-N 2.93Å; A423-Y468 HydrophobicContact CB-CD1 4.06Å; A423-Y468 HydrophobicContact CB-CG 4.39Å; A423-K469 WeakPolarHBondContact CB-O 3.33Å; A423-K469 VanDerWaalsContact O-CB 3.29Å; A423-K469 WeakPolarHBondContact O-CB 3.44Å; A423-K469 WeakPolarHBondContact O-CD 3.44Å; A423-V471 HydrophobicContact CB-CB 4.04Å
424	G	86.9	Confident	90.9	Very high	4 Å²	4	39.8 Å²	39.8	4%	0.041	19%	0.189	C	C	.	.			trans	70	149.6	-168.2	0	0	0	0	0	112.8	Y468 K469	G424-Y468 WeakPolarHBondContact O-CA 3.07Å; G424-Y468 WeakPolarHBondContact O-CD1 3.26Å; G424-K469 WeakPolarHBondContact O-CG 3.38Å; G424-K469 PolarHBondContact O-N 2.91Å
425	R	89.7	Confident	90.6	Very high	35 Å²	35	42.7 Å²	42.7	13%	0.132	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-78	133.7	-176.2	-65	-167.2	68.6	95.2	0.9	111.2	H88 M427 S432 E462 E463 Y468	H88-R425 PolarHBondContact CE1-N 3.34Å; R425-M427 PolarHBondContact NE-O 3.31Å; R425-M427 PolarHBondContact NH2-O 3.31Å; R425-M427 VanDerWaalsContact NH2-O 3.15Å; R425-S432 PolarHBondContact NH2-OG 2.75Å; R425-E462 VanDerWaalsContact CZ-O 3.23Å; R425-E462 PolarHBondContact NH1-O 3.36Å; R425-E462 PolarHBondContact NH2-O 3Å; R425-E463 IonicContact NH1-OE1 3.5Å; R425-E463 IonicContact NH1-OE2 3.84Å; R425-Y468 HydrophobicContact CG-CD1 4.11Å; R425-Y468 HydrophobicContact CG-CE1 3.61Å; R425-Y468 PolarHBondContact NH1-OH 3.09Å; R425-Y468 VanDerWaalsContact NH1-OH 3.12Å
426	A	87.8	Confident	90.2	Very high	41 Å²	41	44.7 Å²	44.7	34%	0.339	22%	0.217	S	C	.	.	S	Bend	trans	-92.6	-25.6	167.9	0	0	0	0	0	111.6	L45 S467 K469	L45-A426 HydrophobicContact CD1-CB 4.45Å; A426-S467 PolarHBondContact N-O 2.95Å; A426-K469 HydrophobicContact CB-CG 4.15Å
427	M	84.3	Confident	89.8	Confident	57 Å²	57	47.8 Å²	47.8	28%	0.281	23%	0.234	S	C	.	.	S	Bend	trans	-128.3	143.1	179	-54.3	-162.3	-162.3	0	0	111.8	R425 K431 S467	R425-M427 PolarHBondContact NE-O 3.31Å; R425-M427 PolarHBondContact NH2-O 3.31Å; R425-M427 VanDerWaalsContact NH2-O 3.15Å; M427-K431 HydrophobicContact CB-CD 4.4Å; M427-K431 HydrophobicContact SD-CD 4.35Å; M427-K431 HydrophobicContact SD-CG 4.49Å; M427-S467 PolarHBondContact N-O 3.44Å
428	S	83.8	Confident	89.4	Confident	70 Å²	70	51 Å²	51	49%	0.49	25%	0.248	S	C	.	.			trans	-65.8	149.3	171.6	71.8	0	0	0	0	110.5	A430 K431 S432	S428-A430 PolarHBondContact O-N 3.1Å; S428-K431 WeakPolarHBondContact O-CA 3.25Å; S428-K431 WeakPolarHBondContact O-CB 3.37Å; S428-K431 PolarHBondContact O-N 3.34Å; S428-K431 WeakPolarHBondContact OG-CB 3.47Å; S428-K431 PolarHBondContact OG-N 2.82Å; S428-S432 PolarHBondContact O-N 2.92Å; S428-S432 PolarHBondContact O-OG 3.39Å
429	R	85.1	Confident	89.1	Confident	103 Å²	103	55 Å²	55	39%	0.389	27%	0.266	S	S	.	.	H	α-helix	trans	-53.6	-40.2	177.7	-68.9	177.9	167.1	140.8	2.3	112.4	K431 S432 R433 E462 E463	R429-K431 VanDerWaalsContact C-N 3.28Å; R429-K431 PolarHBondContact O-N 3Å; R429-S432 PolarHBondContact O-N 3.29Å; R429-R433 WeakPolarHBondContact O-CG 3.38Å; R429-R433 PolarHBondContact O-N 2.65Å; R429-E462 HydrophobicContact CB-CB 4.48Å; R429-E462 HydrophobicContact CB-CG 4.38Å; R429-E462 VanDerWaalsContact CD-OE2 3.32Å; R429-E462 WeakPolarHBondContact CD-OE2 3.36Å; R429-E462 HydrophobicContact CG-CB 4.27Å; R429-E462 IonicContact NE-OE2 2.75Å; R429-E463 IonicContact CZ-OE1 2.99Å; R429-E463 IonicContact NE-OE1 3.72Å; R429-E463 PolarHBondContact NE-OE1 2.7Å; R429-E463 IonicContact NH2-OE1 2.92Å; R429-E463 PolarHBondContact NH2-OE1 3.02Å
430	A	84.1	Confident	88.8	Confident	38 Å²	38	60.2 Å²	60.2	31%	0.314	29%	0.294	S	S	.	.	H	α-helix	trans	-67.4	-25.9	176.8	0	0	0	0	0	113.6	S428 R434	S428-A430 PolarHBondContact O-N 3.1Å; A430-R434 PolarHBondContact O-NE 3.31Å
431	K	84.9	Confident	88.5	Confident	101 Å²	101	60.5 Å²	60.5	44%	0.439	30%	0.296	S	S	.	.	H	α-helix	trans	-79.3	-42.1	173	-172.6	176.3	-179.5	-177	0	110.5	M427 S428 R429 R433 R434 N435	M427-K431 HydrophobicContact CB-CD 4.4Å; M427-K431 HydrophobicContact SD-CD 4.35Å; M427-K431 HydrophobicContact SD-CG 4.49Å; S428-K431 WeakPolarHBondContact O-CA 3.25Å; S428-K431 WeakPolarHBondContact O-CB 3.37Å; S428-K431 PolarHBondContact O-N 3.34Å; S428-K431 WeakPolarHBondContact OG-CB 3.47Å; S428-K431 PolarHBondContact OG-N 2.82Å; R429-K431 VanDerWaalsContact C-N 3.28Å; R429-K431 PolarHBondContact O-N 3Å; K431-R433 PolarHBondContact O-N 3.33Å; K431-R434 PolarHBondContact O-N 2.79Å; K431-R434 VanDerWaalsContact O-N 3.13Å; K431-N435 PolarHBondContact O-N 3.12Å
432	S	87.2	Confident	88.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-49.4	175.3	-53	0	0	0	0	111.8	R425 S428 R429 R434 N435 L436 M461 S467	R425-S432 PolarHBondContact NH2-OG 2.75Å; S428-S432 PolarHBondContact O-N 2.92Å; S428-S432 PolarHBondContact O-OG 3.39Å; R429-S432 PolarHBondContact O-N 3.29Å; S432-R434 PolarHBondContact O-N 3.48Å; S432-R434 VanDerWaalsContact O-N 3.09Å; S432-N435 PolarHBondContact O-N 3.42Å; S432-N435 VanDerWaalsContact O-N 3.1Å; S432-L436 WeakPolarHBondContact O-CB 3.24Å; S432-L436 PolarHBondContact O-N 3.48Å; S432-M461 WeakPolarHBondContact CB-O 3.48Å; S432-S467 VanDerWaalsContact CB-OG 3.27Å; S432-S467 WeakPolarHBondContact CB-OG 3.15Å; S432-S467 WeakPolarHBondContact OG-CB 3.35Å; S432-S467 PolarHBondContact OG-OG 2.77Å
433	R	84.6	Confident	88.4	Confident	120 Å²	120	65.2 Å²	65.2	45%	0.453	32%	0.321	S	S	.	.	H	α-helix	trans	-59.4	-22.5	176.9	-72.5	-166.8	-64.8	-89.6	4.2	115.2	R429 K431 E462	R429-R433 WeakPolarHBondContact O-CG 3.38Å; R429-R433 PolarHBondContact O-N 2.65Å; K431-R433 PolarHBondContact O-N 3.33Å; R433-E462 VanDerWaalsContact CD-OE1 3.31Å; R433-E462 WeakPolarHBondContact CD-OE1 3.47Å; R433-E462 HydrophobicContact CG-CG 3.72Å; R433-E462 IonicContact CZ-OE1 3.53Å; R433-E462 IonicContact NE-OE1 3.09Å; R433-E462 IonicContact NH1-OE1 3.83Å; R433-E462 PolarHBondContact NH1-OE1 2.88Å; R433-E462 IonicContact NH1-OE2 2.76Å; R433-E462 PolarHBondContact NH1-OE2 2.77Å
434	R	87.2	Confident	88.6	Confident	194 Å²	194	67 Å²	67	73%	0.732	34%	0.335	S	S	*	.	H	α-helix	trans	-89.8	-24.5	179.8	-81.6	-176.4	-86.4	175.6	-9.9	112.7	A430 K431 S432	A430-R434 PolarHBondContact O-NE 3.31Å; K431-R434 PolarHBondContact O-N 2.79Å; K431-R434 VanDerWaalsContact O-N 3.13Å; S432-R434 PolarHBondContact O-N 3.48Å; S432-R434 VanDerWaalsContact O-N 3.09Å
435	N	88.4	Confident	89	Confident	103 Å²	103	66.9 Å²	66.9	55%	0.551	33%	0.334	S	S	*	.	H	α-helix	trans	-112.2	-18.9	-167.3	-70.7	6.1	0	0	0	113.5	K431 S432	K431-N435 PolarHBondContact O-N 3.12Å; S432-N435 PolarHBondContact O-N 3.42Å; S432-N435 VanDerWaalsContact O-N 3.1Å
436	L	89	Confident	89.2	Confident	42 Å²	42	68.3 Å²	68.3	22%	0.22	35%	0.353	C	S	.	.			trans	-116.3	144.2	-175.5	-57	177.8	0	0	0	109.2	S432 M461 A464	S432-L436 WeakPolarHBondContact O-CB 3.24Å; S432-L436 PolarHBondContact O-N 3.48Å; L436-M461 HydrophobicContact CB-CB 4.45Å; L436-A464 HydrophobicContact CD1-CB 3.47Å; L436-A464 VanDerWaalsContact CD1-CB 3.47Å
437	D	90.8	Very high	89.6	Confident	71 Å²	71	70.7 Å²	70.7	38%	0.38	37%	0.373	S	S	.	.			trans	-99.3	145	169.3	-172.2	-90	0	0	0	110	Q439 D440 V441	D437-Q439 WeakPolarHBondContact OD1-CA 3.37Å; D437-Q439 VanDerWaalsContact OD1-CB 3.23Å; D437-Q439 WeakPolarHBondContact OD1-CB 3.4Å; D437-Q439 PolarHBondContact OD1-N 3.32Å; D437-D440 HydrophobicContact CB-CB 4.33Å; D437-V441 WeakPolarHBondContact O-CG2 3.49Å; D437-V441 PolarHBondContact O-N 3.28Å
438	F	90.4	Very high	90.1	Very high	66 Å²	66	73.3 Å²	73.3	29%	0.289	38%	0.384	S	S	.	.	H	α-helix	trans	-73.6	-31.5	-176	75	-86.1	0	0	0	112	V441 L442 P457 M461	F438-V441 PolarHBondContact O-N 3.31Å; F438-L442 HydrophobicContact CD2-CD1 4.1Å; F438-L442 VanDerWaalsContact O-CG 3.31Å; F438-L442 WeakPolarHBondContact O-CG 3.33Å; F438-L442 PolarHBondContact O-N 2.92Å; F438-L442 VanDerWaalsContact O-N 3.08Å; F438-P457 HydrophobicContact CD2-CB 4.05Å; F438-P457 HydrophobicContact CE2-CB 4.36Å; F438-M461 VanDerWaalsContact CA-CG 3.46Å; F438-M461 HydrophobicContact CB-CE 4.26Å; F438-M461 HydrophobicContact CB-CG 3.58Å; F438-M461 HydrophobicContact CB-SD 3.9Å; F438-M461 PolarHBondContact N-SD 2.76Å
439	Q	91.5	Very high	90.6	Very high	85 Å²	85	71.5 Å²	71.5	40%	0.397	38%	0.377	S	S	.	.	H	α-helix	trans	-69.6	-44.2	179.9	-169.3	61.8	55.1	0	0	110	D437 V441 L442 D443	D437-Q439 WeakPolarHBondContact OD1-CA 3.37Å; D437-Q439 VanDerWaalsContact OD1-CB 3.23Å; D437-Q439 WeakPolarHBondContact OD1-CB 3.4Å; D437-Q439 PolarHBondContact OD1-N 3.32Å; Q439-V441 VanDerWaalsContact C-N 3.25Å; Q439-V441 PolarHBondContact O-N 2.76Å; Q439-L442 PolarHBondContact O-N 3.36Å; Q439-L442 VanDerWaalsContact O-N 3.12Å; Q439-D443 PolarHBondContact NE2-OD1 3.44Å; Q439-D443 WeakPolarHBondContact O-CB 3.28Å; Q439-D443 VanDerWaalsContact O-CG 3.24Å; Q439-D443 PolarHBondContact O-N 3.15Å
440	D	93.1	Very high	91.2	Very high	109 Å²	109	67.1 Å²	67.1	58%	0.583	36%	0.361	S	S	*	.	H	α-helix	trans	-56.5	-41.2	175.6	-69	-20.1	0	0	0	111.6	D437 A444	D437-D440 HydrophobicContact CB-CB 4.33Å; D440-A444 VanDerWaalsContact O-CB 3.29Å; D440-A444 WeakPolarHBondContact O-CB 3.23Å; D440-A444 PolarHBondContact O-N 3.16Å
441	V	91.8	Very high	91.7	Very high	7 Å²	7	65.4 Å²	65.4	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-43.5	177.9	177.9	0	0	0	0	111.3	M398 D437 F438 Q439 A444 L445 V460 A464	M398-V441 HydrophobicContact CE-CG1 3.54Å; D437-V441 WeakPolarHBondContact O-CG2 3.49Å; D437-V441 PolarHBondContact O-N 3.28Å; F438-V441 PolarHBondContact O-N 3.31Å; Q439-V441 VanDerWaalsContact C-N 3.25Å; Q439-V441 PolarHBondContact O-N 2.76Å; V441-A444 PolarHBondContact O-N 3.42Å; V441-L445 HydrophobicContact CG1-CD1 4.32Å; V441-L445 VanDerWaalsContact O-CG 3.29Å; V441-L445 WeakPolarHBondContact O-CG 3.5Å; V441-L445 PolarHBondContact O-N 2.87Å; V441-L445 VanDerWaalsContact O-N 3.08Å; V441-V460 HydrophobicContact CB-CG1 4.2Å; V441-V460 HydrophobicContact CG1-CG1 3.59Å; V441-A464 HydrophobicContact CG1-CB 4.13Å; V441-A464 HydrophobicContact CG2-CB 3.76Å
442	L	92.4	Very high	92.2	Very high	35 Å²	35	61.9 Å²	61.9	18%	0.183	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-41.8	177.7	-69.2	175.2	0	0	0	111.8	F438 Q439 L445 A446 I452 V460	F438-L442 HydrophobicContact CD2-CD1 4.1Å; F438-L442 VanDerWaalsContact O-CG 3.31Å; F438-L442 WeakPolarHBondContact O-CG 3.33Å; F438-L442 PolarHBondContact O-N 2.92Å; F438-L442 VanDerWaalsContact O-N 3.08Å; Q439-L442 PolarHBondContact O-N 3.36Å; Q439-L442 VanDerWaalsContact O-N 3.12Å; L442-L445 PolarHBondContact O-N 3.47Å; L442-A446 WeakPolarHBondContact O-CB 3.28Å; L442-A446 PolarHBondContact O-N 3.35Å; L442-I452 HydrophobicContact CD2-CD1 4.35Å; L442-I452 HydrophobicContact CD2-CG2 3.65Å; L442-V460 HydrophobicContact CD2-CG1 4.23Å; L442-V460 HydrophobicContact CD2-CG2 4.45Å
443	D	93.7	Very high	92.5	Very high	85 Å²	85	64.4 Å²	64.4	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-39.9	178.5	-68.1	-8.6	0	0	0	111	Q439 L445 A446 A447	Q439-D443 PolarHBondContact NE2-OD1 3.44Å; Q439-D443 WeakPolarHBondContact O-CB 3.28Å; Q439-D443 VanDerWaalsContact O-CG 3.24Å; Q439-D443 PolarHBondContact O-N 3.15Å; D443-L445 PolarHBondContact O-N 3.11Å; D443-A446 PolarHBondContact O-N 3.46Å; D443-A447 WeakPolarHBondContact O-CB 3.46Å; D443-A447 PolarHBondContact O-N 3.03Å
444	A	94.5	Very high	92.7	Very high	40 Å²	40	60.3 Å²	60.3	33%	0.331	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-39.9	174.7	0	0	0	0	0	112.5	D440 V441 Q448	D440-A444 VanDerWaalsContact O-CB 3.29Å; D440-A444 WeakPolarHBondContact O-CB 3.23Å; D440-A444 PolarHBondContact O-N 3.16Å; V441-A444 PolarHBondContact O-N 3.42Å; A444-Q448 WeakPolarHBondContact O-CG 3.35Å; A444-Q448 PolarHBondContact O-N 3.47Å
445	L	94.2	Very high	92.6	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-68.5	-41.1	174.9	-67.4	173.7	0	0	0	111.7	M398 G399 V441 L442 D443 A447 Q448 G449 I450 I452	M398-L445 HydrophobicContact CE-CD1 4.23Å; M398-L445 HydrophobicContact CG-CD1 3.91Å; M398-L445 HydrophobicContact CG-CD2 4.24Å; M398-L445 WeakPolarHBondContact O-CD2 3.39Å; M398-L445 HydrophobicContact SD-CD1 3.88Å; G399-L445 VanDerWaalsContact CA-CD2 3.42Å; V441-L445 HydrophobicContact CG1-CD1 4.32Å; V441-L445 VanDerWaalsContact O-CG 3.29Å; V441-L445 WeakPolarHBondContact O-CG 3.5Å; V441-L445 PolarHBondContact O-N 2.87Å; V441-L445 VanDerWaalsContact O-N 3.08Å; L442-L445 PolarHBondContact O-N 3.47Å; D443-L445 PolarHBondContact O-N 3.11Å; L445-A447 VanDerWaalsContact C-N 3.32Å; L445-A447 PolarHBondContact O-N 2.91Å; L445-Q448 CarbonylContact O-C 3.46Å; L445-Q448 WeakPolarHBondContact O-CB 3.18Å; L445-Q448 PolarHBondContact O-N 3.06Å; L445-Q448 VanDerWaalsContact O-N 3.13Å; L445-G449 PolarHBondContact O-N 3.27Å; L445-I450 HydrophobicContact CB-CB 4.37Å; L445-I450 HydrophobicContact CD2-CD1 3.95Å; L445-I450 WeakPolarHBondContact O-CB 3.43Å; L445-I450 PolarHBondContact O-N 3.32Å; L445-I452 HydrophobicContact CD1-CD1 3.67Å
446	A	94	Very high	92.3	Very high	65 Å²	65	50.5 Å²	50.5	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-40.1	175.9	0	0	0	0	0	111.6	L442 D443 Q448 G449	L442-A446 WeakPolarHBondContact O-CB 3.28Å; L442-A446 PolarHBondContact O-N 3.35Å; D443-A446 PolarHBondContact O-N 3.46Å; A446-Q448 PolarHBondContact O-N 3.09Å; A446-G449 WeakPolarHBondContact O-CA 3.43Å; A446-G449 PolarHBondContact O-N 3.33Å
447	A	96	Very high	91.8	Very high	91 Å²	91	51.5 Å²	51.5	75%	0.752	31%	0.311	S	S	*	.	H	α-helix	trans	-63.7	-27.9	174.8	0	0	0	0	0	113	D443 L445	D443-A447 WeakPolarHBondContact O-CB 3.46Å; D443-A447 PolarHBondContact O-N 3.03Å; L445-A447 VanDerWaalsContact C-N 3.32Å; L445-A447 PolarHBondContact O-N 2.91Å
448	Q	94.9	Very high	91	Very high	112 Å²	112	55.2 Å²	55.2	52%	0.523	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.2	171.3	-66.8	174.8	37.9	0	0	113.2	G399 A444 L445 A446 I450	G399-Q448 PolarHBondContact O-OE1 3.03Å; A444-Q448 WeakPolarHBondContact O-CG 3.35Å; A444-Q448 PolarHBondContact O-N 3.47Å; L445-Q448 CarbonylContact O-C 3.46Å; L445-Q448 WeakPolarHBondContact O-CB 3.18Å; L445-Q448 PolarHBondContact O-N 3.06Å; L445-Q448 VanDerWaalsContact O-N 3.13Å; A446-Q448 PolarHBondContact O-N 3.09Å; Q448-I450 HydrophobicContact CB-CD1 3.97Å; Q448-I450 HydrophobicContact CB-CG1 4.08Å
449	G	95.5	Very high	90.3	Very high	33 Å²	33	55 Å²	55	34%	0.34	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	24	-177.7	0	0	0	0	0	113.6	K139 L445 A446	K139-G449 PolarHBondContact NZ-O 2.85Å; L445-G449 PolarHBondContact O-N 3.27Å; A446-G449 WeakPolarHBondContact O-CA 3.43Å; A446-G449 PolarHBondContact O-N 3.33Å
450	I	96.6	Very high	90	Very high	11 Å²	11	51.1 Å²	51.1	6%	0.056	31%	0.308	C	S	.	.			trans	-92.8	122.8	-179.5	-59.2	171.5	0	0	0	109.8	L445 Q448 P492 I493 V495	L445-I450 HydrophobicContact CB-CB 4.37Å; L445-I450 HydrophobicContact CD2-CD1 3.95Å; L445-I450 WeakPolarHBondContact O-CB 3.43Å; L445-I450 PolarHBondContact O-N 3.32Å; Q448-I450 HydrophobicContact CB-CD1 3.97Å; Q448-I450 HydrophobicContact CB-CG1 4.08Å; I450-P492 HydrophobicContact CD1-CG 3.92Å; I450-I493 WeakPolarHBondContact CA-O 3.29Å; I450-V495 HydrophobicContact CG2-CG2 3.7Å
451	S	96.1	Very high	89.7	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	123.7	171.6	-174.8	0	0	0	0	109.9	E140 A143 R453 I493 A494 V495	E140-S451 WeakPolarHBondContact OE1-CB 3.34Å; E140-S451 PolarHBondContact OE1-OG 2.96Å; E140-S451 PolarHBondContact OE2-OG 3.02Å; A143-S451 WeakPolarHBondContact CB-OG 3.29Å; S451-R453 PolarHBondContact OG-NH1 3.07Å; S451-I493 PolarHBondContact N-O 2.78Å; S451-A494 CarbonylContact O-C 3.53Å; S451-A494 WeakPolarHBondContact O-CA 3.04Å; S451-V495 PolarHBondContact O-N 3.14Å
452	I	94.3	Very high	89.4	Confident	27 Å²	27	48 Å²	48	14%	0.138	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.4	-179.6	-170.9	165.8	0	0	0	111.6	M398 L442 L445 V454 V495	M398-I452 HydrophobicContact SD-CD1 3.77Å; L442-I452 HydrophobicContact CD2-CD1 4.35Å; L442-I452 HydrophobicContact CD2-CG2 3.65Å; L445-I452 HydrophobicContact CD1-CD1 3.67Å; I452-V454 HydrophobicContact CD1-CG1 3.72Å; I452-V454 HydrophobicContact CG1-CG1 3.7Å; I452-V495 CarbonylContact C-O 3.59Å; I452-V495 WeakPolarHBondContact CA-O 3.29Å; I452-V495 HydrophobicContact CG1-CB 4.41Å
453	R	93.5	Very high	89.1	Confident	53 Å²	53	46.8 Å²	46.8	20%	0.2	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.7	167.5	-59.7	-65.3	-179.5	-84.6	-6.1	109.2	E140 A143 F147 S451 V495 I496 K497	E140-R453 PolarHBondContact O-NH2 3.38Å; E140-R453 VanDerWaalsContact O-NH2 3.08Å; E140-R453 IonicContact OE2-CZ 2.83Å; E140-R453 IonicContact OE2-NH1 2.76Å; E140-R453 PolarHBondContact OE2-NH1 3.29Å; E140-R453 IonicContact OE2-NH2 3.37Å; E140-R453 PolarHBondContact OE2-NH2 2.92Å; A143-R453 HydrophobicContact CB-CG 4.21Å; F147-R453 HydrophobicContact CB-CB 3.92Å; F147-R453 HydrophobicContact CB-CG 4.15Å; F147-R453 HydrophobicContact CD2-CB 3.37Å; F147-R453 HydrophobicContact CD2-CG 4.44Å; F147-R453 HydrophobicContact CE2-CB 3.89Å; F147-R453 HydrophobicContact CG-CB 3.73Å; F147-R453 HydrophobicContact CG-CG 4.36Å; S451-R453 PolarHBondContact OG-NH1 3.07Å; R453-V495 PolarHBondContact N-O 3.32Å; R453-I496 HydrophobicContact CB-CG2 4.23Å; R453-I496 CarbonylContact O-C 3.45Å; R453-I496 WeakPolarHBondContact O-CA 3.44Å; R453-K497 PolarHBondContact O-N 2.59Å
454	V	89.8	Confident	88.9	Confident	33 Å²	33	42.7 Å²	42.7	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.8	-175.7	-68.2	0	0	0	0	110.9	I452 S456 P457 V460 K497	I452-V454 HydrophobicContact CD1-CG1 3.72Å; I452-V454 HydrophobicContact CG1-CG1 3.7Å; V454-S456 VanDerWaalsContact C-N 3.31Å; V454-P457 HydrophobicContact CG2-CG 4.26Å; V454-V460 HydrophobicContact CB-CG2 4.01Å; V454-V460 HydrophobicContact CG1-CG2 3.51Å; V454-V460 HydrophobicContact CG2-CG2 3.9Å; V454-K497 VanDerWaalsContact CA-O 3.32Å; V454-K497 WeakPolarHBondContact CA-O 3.42Å; V454-K497 HydrophobicContact CG1-CB 3.99Å
455	A	84.4	Confident	88.6	Confident	47 Å²	47	42 Å²	42	39%	0.388	25%	0.253	S	S	.	.	S	Bend	trans	-65.6	-36.5	173.1	0	0	0	0	0	112.2	V152 K497	V152-A455 HydrophobicContact CB-CB 4.48Å; V152-A455 HydrophobicContact CG2-CB 3.8Å; A455-K497 PolarHBondContact N-O 3.16Å
456	S	82.9	Confident	88.4	Confident	45 Å²	45	46.6 Å²	46.6	32%	0.315	28%	0.275	S	S	.	.			trans	-140.5	113.5	178	-169.9	0	0	0	0	111	V454 K458 L459	V454-S456 VanDerWaalsContact C-N 3.31Å; S456-K458 PolarHBondContact O-N 2.83Å; S456-K458 VanDerWaalsContact O-N 3.13Å; S456-L459 PolarHBondContact O-N 3.13Å
457	P	77.3	Confident	88.2	Confident	62 Å²	62	43.5 Å²	43.5	40%	0.403	25%	0.249	S	C	.	.	H	α-helix	trans	-54.6	-33.1	177.8	-28.1	35	0	0	0	113.6	F438 V454 L459 V460	F438-P457 HydrophobicContact CD2-CB 4.05Å; F438-P457 HydrophobicContact CE2-CB 4.36Å; V454-P457 HydrophobicContact CG2-CG 4.26Å; P457-L459 PolarHBondContact O-N 3.46Å; P457-V460 VanDerWaalsContact O-CB 3.29Å; P457-V460 WeakPolarHBondContact O-CB 3.28Å; P457-V460 WeakPolarHBondContact O-CG2 3.16Å; P457-V460 PolarHBondContact O-N 2.76Å
458	K	73.9	Confident	88.1	Confident	149 Å²	149	40.6 Å²	40.6	65%	0.648	22%	0.219	S	C	*	.	H	α-helix	trans	-67.1	-22.3	-179.2	-66.2	-175.8	179	-179.9	0	113.6	S456 M461	S456-K458 PolarHBondContact O-N 2.83Å; S456-K458 VanDerWaalsContact O-N 3.13Å; K458-M461 HydrophobicContact CB-CE 4.49Å; K458-M461 WeakPolarHBondContact O-CE 3.27Å
459	L	77	Confident	88	Confident	62 Å²	62	35.9 Å²	35.9	33%	0.325	20%	0.197	S	C	.	.	H	α-helix	trans	-84.2	-14.6	179.2	-63.9	179.3	0	0	0	112.6	S456 P457 M461 E462	S456-L459 PolarHBondContact O-N 3.13Å; P457-L459 PolarHBondContact O-N 3.46Å; L459-M461 VanDerWaalsContact C-N 3.25Å; L459-M461 PolarHBondContact O-N 2.93Å; L459-E462 WeakPolarHBondContact O-CB 3.29Å; L459-E462 PolarHBondContact O-N 3.38Å; L459-E462 VanDerWaalsContact O-N 3.09Å
460	V	84.8	Confident	88	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-38.8	178.4	177.9	0	0	0	0	111.1	M398 V441 L442 V454 P457 E462 E463 A464	M398-V460 HydrophobicContact CE-CG1 3.52Å; M398-V460 WeakPolarHBondContact CE-O 3.24Å; M398-V460 HydrophobicContact SD-CG1 3.99Å; V441-V460 HydrophobicContact CB-CG1 4.2Å; V441-V460 HydrophobicContact CG1-CG1 3.59Å; L442-V460 HydrophobicContact CD2-CG1 4.23Å; L442-V460 HydrophobicContact CD2-CG2 4.45Å; V454-V460 HydrophobicContact CB-CG2 4.01Å; V454-V460 HydrophobicContact CG1-CG2 3.51Å; V454-V460 HydrophobicContact CG2-CG2 3.9Å; P457-V460 VanDerWaalsContact O-CB 3.29Å; P457-V460 WeakPolarHBondContact O-CB 3.28Å; P457-V460 WeakPolarHBondContact O-CG2 3.16Å; P457-V460 PolarHBondContact O-N 2.76Å; V460-E462 PolarHBondContact O-N 2.87Å; V460-E463 CarbonylContact O-C 3.51Å; V460-E463 PolarHBondContact O-N 3.39Å; V460-A464 PolarHBondContact O-N 3.03Å
461	M	86.2	Confident	88	Confident	25 Å²	25	37.9 Å²	37.9	12%	0.123	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-58.7	-32.5	178.3	-63.8	176.9	-70.1	0	0	113.2	S432 L436 F438 K458 L459 E463	S432-M461 WeakPolarHBondContact CB-O 3.48Å; L436-M461 HydrophobicContact CB-CB 4.45Å; F438-M461 VanDerWaalsContact CA-CG 3.46Å; F438-M461 HydrophobicContact CB-CE 4.26Å; F438-M461 HydrophobicContact CB-CG 3.58Å; F438-M461 HydrophobicContact CB-SD 3.9Å; F438-M461 PolarHBondContact N-SD 2.76Å; K458-M461 HydrophobicContact CB-CE 4.49Å; K458-M461 WeakPolarHBondContact O-CE 3.27Å; L459-M461 VanDerWaalsContact C-N 3.25Å; L459-M461 PolarHBondContact O-N 2.93Å; M461-E463 PolarHBondContact O-N 3.47Å
462	E	85.6	Confident	88	Confident	27 Å²	27	39 Å²	39	13%	0.126	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-68.2	-24.1	179.5	-62.1	-172.7	-169	0	0	112.2	R425 R429 R433 L459 V460	R425-E462 VanDerWaalsContact CZ-O 3.23Å; R425-E462 PolarHBondContact NH1-O 3.36Å; R425-E462 PolarHBondContact NH2-O 3Å; R429-E462 HydrophobicContact CB-CB 4.48Å; R429-E462 HydrophobicContact CB-CG 4.38Å; R429-E462 VanDerWaalsContact CD-OE2 3.32Å; R429-E462 WeakPolarHBondContact CD-OE2 3.36Å; R429-E462 HydrophobicContact CG-CB 4.27Å; R429-E462 IonicContact NE-OE2 2.75Å; R433-E462 VanDerWaalsContact CD-OE1 3.31Å; R433-E462 WeakPolarHBondContact CD-OE1 3.47Å; R433-E462 HydrophobicContact CG-CG 3.72Å; R433-E462 IonicContact CZ-OE1 3.53Å; R433-E462 IonicContact NE-OE1 3.09Å; R433-E462 IonicContact NH1-OE1 3.83Å; R433-E462 PolarHBondContact NH1-OE1 2.88Å; R433-E462 IonicContact NH1-OE2 2.76Å; R433-E462 PolarHBondContact NH1-OE2 2.77Å; L459-E462 WeakPolarHBondContact O-CB 3.29Å; L459-E462 PolarHBondContact O-N 3.38Å; L459-E462 VanDerWaalsContact O-N 3.09Å; V460-E462 PolarHBondContact O-N 2.87Å
463	E	87	Confident	88.2	Confident	8 Å²	8	38.5 Å²	38.5	4%	0.037	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-117.3	8.2	-169.5	-55.9	-62.6	157.1	0	0	112.1	G218 M398 R425 R429 V460 M461 Y468 K497	G218-E463 WeakPolarHBondContact O-CG 3.21Å; M398-E463 WeakPolarHBondContact CE-O 3.35Å; R425-E463 IonicContact NH1-OE1 3.5Å; R425-E463 IonicContact NH1-OE2 3.84Å; R429-E463 IonicContact CZ-OE1 2.99Å; R429-E463 IonicContact NE-OE1 3.72Å; R429-E463 PolarHBondContact NE-OE1 2.7Å; R429-E463 IonicContact NH2-OE1 2.92Å; R429-E463 PolarHBondContact NH2-OE1 3.02Å; V460-E463 CarbonylContact O-C 3.51Å; V460-E463 PolarHBondContact O-N 3.39Å; M461-E463 PolarHBondContact O-N 3.47Å; E463-Y468 PolarHBondContact OE2-OH 3.44Å; E463-K497 HydrophobicContact CB-CD 4.45Å; E463-K497 VanDerWaalsContact CB-CE 3.41Å; E463-K497 VanDerWaalsContact CG-CE 3.46Å
464	A	88.2	Confident	88.4	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.			trans	-52.1	141.1	175	0	0	0	0	0	111.9	M398 L436 V441 V460 E466 S467	M398-A464 VanDerWaalsContact CE-CA 3.47Å; M398-A464 HydrophobicContact CE-CB 4.43Å; L436-A464 HydrophobicContact CD1-CB 3.47Å; L436-A464 VanDerWaalsContact CD1-CB 3.47Å; V441-A464 HydrophobicContact CG1-CB 4.13Å; V441-A464 HydrophobicContact CG2-CB 3.76Å; V460-A464 PolarHBondContact O-N 3.03Å; A464-E466 WeakPolarHBondContact CB-OE2 3.33Å; A464-E466 PolarHBondContact O-N 2.82Å; A464-E466 VanDerWaalsContact O-N 3.09Å; A464-S467 WeakPolarHBondContact O-CB 3.26Å; A464-S467 PolarHBondContact O-N 2.95Å; A464-S467 PolarHBondContact O-OG 3.35Å
465	P	88.7	Confident	88.8	Confident	25 Å²	25	34.4 Å²	34.4	16%	0.162	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-46.5	-40	178.5	-31.6	37.4	0	0	0	115	T400 S467 Y468	T400-P465 HydrophobicContact CG2-CB 3.99Å; P465-S467 PolarHBondContact O-N 3.06Å; P465-Y468 PolarHBondContact O-N 3.05Å; P465-Y468 VanDerWaalsContact O-N 3.08Å
466	E	89.9	Confident	89.5	Confident	99 Å²	99	35.2 Å²	35.2	46%	0.463	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-67	-18.4	-178.8	-57.7	83.7	172.6	0	0	113.1	A464 Y468	A464-E466 WeakPolarHBondContact CB-OE2 3.33Å; A464-E466 PolarHBondContact O-N 2.82Å; A464-E466 VanDerWaalsContact O-N 3.09Å; E466-Y468 PolarHBondContact O-N 3.45Å
467	S	90.7	Very high	90.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-77.1	-12.5	175.6	-61.1	0	0	0	0	113	A426 M427 S432 A464 P465	A426-S467 PolarHBondContact N-O 2.95Å; M427-S467 PolarHBondContact N-O 3.44Å; S432-S467 VanDerWaalsContact CB-OG 3.27Å; S432-S467 WeakPolarHBondContact CB-OG 3.15Å; S432-S467 WeakPolarHBondContact OG-CB 3.35Å; S432-S467 PolarHBondContact OG-OG 2.77Å; A464-S467 WeakPolarHBondContact O-CB 3.26Å; A464-S467 PolarHBondContact O-N 2.95Å; A464-S467 PolarHBondContact O-OG 3.35Å; P465-S467 PolarHBondContact O-N 3.06Å
468	Y	92	Very high	91.2	Very high	30 Å²	30	30.1 Å²	30.1	12%	0.118	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-111	160.3	-176.1	-72.9	-89.4	0	0	0	111.5	T397 A423 G424 R425 E463 P465 E466	T397-Y468 HydrophobicContact CG2-CD1 4.25Å; T397-Y468 HydrophobicContact CG2-CD2 3.38Å; T397-Y468 HydrophobicContact CG2-CE2 4.12Å; T397-Y468 HydrophobicContact CG2-CG 3.47Å; T397-Y468 VanDerWaalsContact CG2-CG 3.47Å; A423-Y468 HydrophobicContact CB-CD1 4.06Å; A423-Y468 HydrophobicContact CB-CG 4.39Å; G424-Y468 WeakPolarHBondContact O-CA 3.07Å; G424-Y468 WeakPolarHBondContact O-CD1 3.26Å; R425-Y468 HydrophobicContact CG-CD1 4.11Å; R425-Y468 HydrophobicContact CG-CE1 3.61Å; R425-Y468 PolarHBondContact NH1-OH 3.09Å; R425-Y468 VanDerWaalsContact NH1-OH 3.12Å; E463-Y468 PolarHBondContact OE2-OH 3.44Å; P465-Y468 PolarHBondContact O-N 3.05Å; P465-Y468 VanDerWaalsContact O-N 3.08Å; E466-Y468 PolarHBondContact O-N 3.45Å
469	K	93.8	Very high	92.4	Very high	13 Å²	13	26.9 Å²	26.9	6%	0.057	14%	0.137	C	C	.	.			trans	-70.4	165.3	168.3	-47.2	177.9	-178	176.9	0	109.1	L42 L45 P85 D86 I87 A423 G424 A426 V471	L42-K469 HydrophobicContact CD2-CB 4.16Å; L42-K469 HydrophobicContact CD2-CD 3.98Å; L45-K469 HydrophobicContact CD1-CB 4.38Å; L45-K469 HydrophobicContact CD1-CD 4.3Å; L45-K469 HydrophobicContact CD1-CG 3.91Å; P85-K469 PolarHBondContact O-NZ 3.27Å; D86-K469 PolarHBondContact O-NZ 3.02Å; I87-K469 PolarHBondContact O-NZ 3.48Å; A423-K469 WeakPolarHBondContact CB-O 3.33Å; A423-K469 VanDerWaalsContact O-CB 3.29Å; A423-K469 WeakPolarHBondContact O-CB 3.44Å; A423-K469 WeakPolarHBondContact O-CD 3.44Å; G424-K469 WeakPolarHBondContact O-CG 3.38Å; G424-K469 PolarHBondContact O-N 2.91Å; A426-K469 HydrophobicContact CB-CG 4.15Å; K469-V471 PolarHBondContact O-N 3.03Å
470	N	95.2	Very high	93.4	Very high	84 Å²	84	27.3 Å²	27.3	45%	0.449	15%	0.149	S	C	.	.			trans	-70.9	114.3	171.3	-172.5	-39.1	0	0	0	109.6	S472 D473 V474	N470-S472 PolarHBondContact O-N 3.47Å; N470-S472 WeakPolarHBondContact OD1-CA 3.5Å; N470-S472 VanDerWaalsContact OD1-CB 3.31Å; N470-S472 WeakPolarHBondContact OD1-CB 3.44Å; N470-S472 PolarHBondContact OD1-N 3.33Å; N470-D473 HydrophobicContact CB-CB 4.22Å; N470-D473 WeakPolarHBondContact CB-OD2 3.29Å; N470-D473 WeakPolarHBondContact O-CB 3.26Å; N470-D473 PolarHBondContact O-N 3.44Å; N470-D473 VanDerWaalsContact O-N 3.11Å; N470-D473 PolarHBondContact OD1-N 3.05Å; N470-V474 PolarHBondContact O-N 3Å
471	V	96.3	Very high	94	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-58.7	-32.4	179.4	64	0	0	0	0	113.2	I394 C401 Y403 A423 K469 V474 V475	I394-V471 HydrophobicContact CG2-CG2 3.94Å; C401-V471 VanDerWaalsContact O-CG1 3.28Å; C401-V471 WeakPolarHBondContact O-CG1 3.43Å; Y403-V471 HydrophobicContact CD2-CG2 4.25Å; Y403-V471 HydrophobicContact CE2-CG1 4.27Å; A423-V471 HydrophobicContact CB-CB 4.04Å; K469-V471 PolarHBondContact O-N 3.03Å; V471-V474 WeakPolarHBondContact O-CB 3.41Å; V471-V474 PolarHBondContact O-N 3.13Å; V471-V475 HydrophobicContact CG2-CG2 4.47Å; V471-V475 WeakPolarHBondContact O-CG2 3.34Å; V471-V475 PolarHBondContact O-N 3.01Å
472	S	97.2	Very high	94.6	Very high	25 Å²	25	27.1 Å²	27.1	18%	0.175	15%	0.154	C	C	.	.	H	α-helix	trans	-68.7	-38.7	177	-56.8	0	0	0	0	111.1	Y403 N470 V474 V475 D476	Y403-S472 PolarHBondContact OH-OG 3.06Å; N470-S472 PolarHBondContact O-N 3.47Å; N470-S472 WeakPolarHBondContact OD1-CA 3.5Å; N470-S472 VanDerWaalsContact OD1-CB 3.31Å; N470-S472 WeakPolarHBondContact OD1-CB 3.44Å; N470-S472 PolarHBondContact OD1-N 3.33Å; S472-V474 VanDerWaalsContact C-N 3.29Å; S472-V474 PolarHBondContact O-N 3.43Å; S472-V475 PolarHBondContact O-N 3.4Å; S472-D476 WeakPolarHBondContact O-CB 3.17Å; S472-D476 PolarHBondContact O-N 3Å
473	D	97.4	Very high	95.2	Very high	17 Å²	17	25.9 Å²	25.9	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-37.1	175.2	-69.2	-32.2	0	0	0	111.5	N39 R41 L42 N470 T477	N39-D473 PolarHBondContact ND2-O 3.08Å; R41-D473 VanDerWaalsContact CD-CG 3.48Å; R41-D473 VanDerWaalsContact CD-OD1 3.25Å; R41-D473 WeakPolarHBondContact CD-OD1 3.22Å; R41-D473 WeakPolarHBondContact CD-OD2 3.5Å; R41-D473 IonicContact CZ-OD1 2.65Å; R41-D473 IonicContact NE-OD1 2.73Å; R41-D473 IonicContact NH1-OD1 3.73Å; R41-D473 PolarHBondContact NH1-OD1 2.99Å; R41-D473 IonicContact NH1-OD2 3.65Å; L42-D473 HydrophobicContact CD1-CB 4.37Å; L42-D473 HydrophobicContact CD2-CB 4.14Å; L42-D473 HydrophobicContact CG-CB 4.17Å; N470-D473 HydrophobicContact CB-CB 4.22Å; N470-D473 WeakPolarHBondContact CB-OD2 3.29Å; N470-D473 WeakPolarHBondContact O-CB 3.26Å; N470-D473 PolarHBondContact O-N 3.44Å; N470-D473 VanDerWaalsContact O-N 3.11Å; N470-D473 PolarHBondContact OD1-N 3.05Å; D473-T477 WeakPolarHBondContact O-CB 3.45Å; D473-T477 PolarHBondContact O-N 3.2Å; D473-T477 VanDerWaalsContact O-N 3.11Å; D473-T477 PolarHBondContact O-OG1 3.39Å
474	V	98	Very high	95.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.2	-53	175.1	174.1	0	0	0	0	110.4	L42 P85 D86 C420 N470 V471 S472 D476 T477 C478	L42-V474 HydrophobicContact CD1-CG2 4.18Å; L42-V474 HydrophobicContact CD2-CG2 4.25Å; P85-V474 HydrophobicContact CB-CB 4.35Å; P85-V474 HydrophobicContact CB-CG1 3.95Å; D86-V474 HydrophobicContact CB-CG1 3.98Å; D86-V474 HydrophobicContact CB-CG2 4.34Å; C420-V474 HydrophobicContact CB-CG1 3.66Å; N470-V474 PolarHBondContact O-N 3Å; V471-V474 WeakPolarHBondContact O-CB 3.41Å; V471-V474 PolarHBondContact O-N 3.13Å; S472-V474 VanDerWaalsContact C-N 3.29Å; S472-V474 PolarHBondContact O-N 3.43Å; V474-D476 PolarHBondContact O-N 3.26Å; V474-T477 WeakPolarHBondContact O-CB 3.35Å; V474-T477 PolarHBondContact O-N 3.14Å; V474-C478 PolarHBondContact O-N 2.83Å; V474-C478 VanDerWaalsContact O-N 3.07Å
475	V	98.3	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.2	-43.1	-178.4	168.1	0	0	0	0	111.7	I394 Y403 L405 V471 S472 T477 C478 H479 K486	I394-V475 HydrophobicContact CB-CG2 4.48Å; I394-V475 HydrophobicContact CG1-CG2 4.49Å; I394-V475 HydrophobicContact CG2-CG2 3.97Å; Y403-V475 HydrophobicContact CD1-CG1 4.11Å; Y403-V475 HydrophobicContact CD2-CB 4.38Å; Y403-V475 HydrophobicContact CD2-CG2 3.75Å; Y403-V475 HydrophobicContact CE1-CG1 4.36Å; Y403-V475 HydrophobicContact CE2-CG2 4.28Å; Y403-V475 HydrophobicContact CG-CB 4.5Å; Y403-V475 HydrophobicContact CG-CG1 4.19Å; Y403-V475 HydrophobicContact CG-CG2 3.97Å; L405-V475 HydrophobicContact CD1-CG1 4.36Å; L405-V475 HydrophobicContact CD1-CG2 4.43Å; L405-V475 HydrophobicContact CD2-CG1 3.53Å; L405-V475 HydrophobicContact CD2-CG2 4.43Å; V471-V475 HydrophobicContact CG2-CG2 4.47Å; V471-V475 WeakPolarHBondContact O-CG2 3.34Å; V471-V475 PolarHBondContact O-N 3.01Å; S472-V475 PolarHBondContact O-N 3.4Å; V475-T477 VanDerWaalsContact C-N 3.25Å; V475-T477 PolarHBondContact O-N 2.97Å; V475-C478 PolarHBondContact O-N 3.05Å; V475-H479 WeakPolarHBondContact O-CB 3.48Å; V475-H479 PolarHBondContact O-N 3.31Å; V475-K486 HydrophobicContact CG1-CD 3.84Å; V475-K486 HydrophobicContact CG1-CG 3.58Å
476	D	98.2	Very high	96.7	Very high	63 Å²	63	30.4 Å²	30.4	34%	0.337	17%	0.165	S	C	.	.	H	α-helix	trans	-63.4	-34.5	177.4	-74.3	-22.6	0	0	0	111.6	S472 V474 H479 A480 K486	S472-D476 WeakPolarHBondContact O-CB 3.17Å; S472-D476 PolarHBondContact O-N 3Å; V474-D476 PolarHBondContact O-N 3.26Å; D476-H479 PolarHBondContact O-N 2.8Å; D476-A480 VanDerWaalsContact O-CB 3.25Å; D476-A480 WeakPolarHBondContact O-CB 2.99Å; D476-A480 PolarHBondContact O-N 2.97Å; D476-K486 WeakPolarHBondContact OD1-CE 3.44Å; D476-K486 IonicContact OD1-NZ 3.02Å; D476-K486 PolarHBondContact OD1-NZ 3.23Å
477	T	98.3	Very high	97.1	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-66	-45.4	174.4	-56.7	0	0	0	0	111	V18 N39 P85 D473 V474 V475 H479 A480 A481	V18-T477 HydrophobicContact CB-CG2 3.86Å; V18-T477 HydrophobicContact CG1-CG2 4.01Å; N39-T477 WeakPolarHBondContact CB-OG1 3.4Å; N39-T477 PolarHBondContact ND2-OG1 3.09Å; P85-T477 HydrophobicContact CB-CG2 3.86Å; P85-T477 HydrophobicContact CG-CG2 3.51Å; D473-T477 WeakPolarHBondContact O-CB 3.45Å; D473-T477 PolarHBondContact O-N 3.2Å; D473-T477 VanDerWaalsContact O-N 3.11Å; D473-T477 PolarHBondContact O-OG1 3.39Å; V474-T477 WeakPolarHBondContact O-CB 3.35Å; V474-T477 PolarHBondContact O-N 3.14Å; V475-T477 VanDerWaalsContact C-N 3.25Å; V475-T477 PolarHBondContact O-N 2.97Å; T477-H479 VanDerWaalsContact C-N 3.32Å; T477-H479 PolarHBondContact O-N 2.88Å; T477-A480 PolarHBondContact O-N 3.14Å; T477-A481 WeakPolarHBondContact O-CB 3.44Å; T477-A481 PolarHBondContact O-N 3.23Å
478	C	98.5	Very high	97.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61	-42.2	175	-68.1	0	0	0	0	111.9	T419 C420 V474 V475 A481 G482 I483 S484	T419-C478 PolarHBondContact OG1-SG 3.46Å; C420-C478 PolarHBondContact SG-SG 3.22Å; V474-C478 PolarHBondContact O-N 2.83Å; V474-C478 VanDerWaalsContact O-N 3.07Å; V475-C478 PolarHBondContact O-N 3.05Å; C478-A481 PolarHBondContact O-N 3.14Å; C478-G482 PolarHBondContact O-N 2.8Å; C478-G482 VanDerWaalsContact O-N 3.14Å; C478-I483 HydrophobicContact CB-CD1 4.16Å; C478-I483 HydrophobicContact CB-CG1 3.91Å; C478-I483 WeakPolarHBondContact O-CG1 3.24Å; C478-I483 PolarHBondContact O-N 3.35Å; C478-S484 WeakPolarHBondContact CB-OG 3.47Å
479	H	98.2	Very high	97.8	Very high	81 Å²	81	27.6 Å²	27.6	38%	0.375	15%	0.15	S	C	.	.	H	α-helix	trans	-64.7	-45.3	178.4	-173.3	61.1	0	0	0	112.5	V475 D476 T477 A481 G482 S484 K486	V475-H479 WeakPolarHBondContact O-CB 3.48Å; V475-H479 PolarHBondContact O-N 3.31Å; D476-H479 PolarHBondContact O-N 2.8Å; T477-H479 VanDerWaalsContact C-N 3.32Å; T477-H479 PolarHBondContact O-N 2.88Å; H479-A481 VanDerWaalsContact C-N 3.31Å; H479-A481 PolarHBondContact O-N 3.05Å; H479-G482 PolarHBondContact O-N 3.34Å; H479-S484 WeakPolarHBondContact CA-O 3.44Å; H479-K486 HydrophobicContact CB-CG 4.26Å; H479-K486 PolarHBondContact ND1-N 3.32Å
480	A	98.1	Very high	98	Very high	71 Å²	71	27 Å²	27	59%	0.587	15%	0.148	S	C	*	.	H	α-helix	trans	-67.1	-32	177.4	0	0	0	0	0	112.8	V18 D476 T477 G482	V18-A480 HydrophobicContact CG1-CB 4.1Å; V18-A480 HydrophobicContact CG2-CB 4.5Å; D476-A480 VanDerWaalsContact O-CB 3.25Å; D476-A480 WeakPolarHBondContact O-CB 2.99Å; D476-A480 PolarHBondContact O-N 2.97Å; T477-A480 PolarHBondContact O-N 3.14Å; A480-G482 PolarHBondContact O-N 2.8Å
481	A	98	Very high	98.1	Very high	8 Å²	8	26.8 Å²	26.8	7%	0.066	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.6	172.5	0	0	0	0	0	112.9	V18 Y37 Q410 T477 C478 H479 I483	V18-A481 HydrophobicContact CG2-CB 3.92Å; Y37-A481 HydrophobicContact CD1-CB 3.74Å; Y37-A481 HydrophobicContact CE1-CB 4.01Å; Q410-A481 PolarHBondContact NE2-O 3Å; T477-A481 WeakPolarHBondContact O-CB 3.44Å; T477-A481 PolarHBondContact O-N 3.23Å; C478-A481 PolarHBondContact O-N 3.14Å; H479-A481 VanDerWaalsContact C-N 3.31Å; H479-A481 PolarHBondContact O-N 3.05Å; A481-I483 HydrophobicContact CB-CG1 4.3Å; A481-I483 HydrophobicContact CB-CG2 4.27Å; A481-I483 PolarHBondContact O-N 3.23Å
482	G	98.2	Very high	98.2	Very high	16 Å²	16	27.1 Å²	27.1	17%	0.165	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	9.8	-178.6	0	0	0	0	0	114.6	T408 Q410 C478 H479 A480	T408-G482 WeakPolarHBondContact CB-O 3.34Å; T408-G482 PolarHBondContact OG1-O 3.21Å; Q410-G482 WeakPolarHBondContact CB-O 3.31Å; C478-G482 PolarHBondContact O-N 2.8Å; C478-G482 VanDerWaalsContact O-N 3.14Å; H479-G482 PolarHBondContact O-N 3.34Å; A480-G482 PolarHBondContact O-N 2.8Å
483	I	98.3	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-80.6	-18.2	-178.3	62.3	172.4	0	0	0	113	L84 T408 E414 T415 C478 A481	L84-I483 HydrophobicContact CD2-CD1 3.62Å; T408-I483 PolarHBondContact OG1-O 2.94Å; T408-I483 VanDerWaalsContact OG1-O 3.05Å; E414-I483 HydrophobicContact CB-CG2 4.25Å; T415-I483 HydrophobicContact CG2-CB 4.4Å; T415-I483 HydrophobicContact CG2-CD1 4.35Å; T415-I483 HydrophobicContact CG2-CG2 3.87Å; C478-I483 HydrophobicContact CB-CD1 4.16Å; C478-I483 HydrophobicContact CB-CG1 3.91Å; C478-I483 WeakPolarHBondContact O-CG1 3.24Å; C478-I483 PolarHBondContact O-N 3.35Å; A481-I483 HydrophobicContact CB-CG1 4.3Å; A481-I483 HydrophobicContact CB-CG2 4.27Å; A481-I483 PolarHBondContact O-N 3.23Å
484	S	98.5	Very high	98.2	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	156.7	168.9	56.1	0	0	0	0	110.5	L405 T406 T419 C478 H479	L405-S484 WeakPolarHBondContact CD1-OG 3.27Å; T406-S484 CarbonylContact O-C 3.58Å; T406-S484 WeakPolarHBondContact O-CA 3.38Å; T419-S484 PolarHBondContact OG1-OG 3.01Å; C478-S484 WeakPolarHBondContact CB-OG 3.47Å; H479-S484 WeakPolarHBondContact CA-O 3.44Å
485	K	98.4	Very high	98.1	Very high	91 Å²	91	25.5 Å²	25.5	40%	0.396	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.8	-177.4	-170.7	-174.9	-179.1	-170.4	0	110.9	D232 L405 T406 T408 C487	D232-K485 WeakPolarHBondContact OD2-CE 3.2Å; D232-K485 IonicContact OD2-NZ 2.69Å; D232-K485 PolarHBondContact OD2-NZ 3.05Å; L405-K485 CarbonylContact C-O 3.55Å; L405-K485 WeakPolarHBondContact CA-O 3.43Å; L405-K485 VanDerWaalsContact CB-O 3.27Å; L405-K485 WeakPolarHBondContact CB-O 3.4Å; T406-K485 PolarHBondContact N-O 3.45Å; T406-K485 PolarHBondContact O-N 3.22Å; T408-K485 HydrophobicContact CG2-CB 4.06Å; K485-C487 PolarHBondContact O-N 2.98Å
486	K	98.5	Very high	97.8	Very high	36 Å²	36	25.6 Å²	25.6	16%	0.157	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.1	172.7	-75.6	-173.1	-74.6	-170.8	0	110.7	Y231 L405 V475 D476 H479	Y231-K486 HydrophobicContact CD2-CB 3.82Å; Y231-K486 HydrophobicContact CD2-CD 4.46Å; Y231-K486 HydrophobicContact CE1-CD 4.39Å; Y231-K486 HydrophobicContact CE2-CB 4.43Å; Y231-K486 HydrophobicContact CE2-CD 4.31Å; Y231-K486 HydrophobicContact CG-CB 3.85Å; L405-K486 HydrophobicContact CD2-CB 4.49Å; L405-K486 HydrophobicContact CD2-CG 4.08Å; V475-K486 HydrophobicContact CG1-CD 3.84Å; V475-K486 HydrophobicContact CG1-CG 3.58Å; D476-K486 WeakPolarHBondContact OD1-CE 3.44Å; D476-K486 IonicContact OD1-NZ 3.02Å; D476-K486 PolarHBondContact OD1-NZ 3.23Å; H479-K486 HydrophobicContact CB-CG 4.26Å; H479-K486 PolarHBondContact ND1-N 3.32Å
487	C	98.6	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-61.3	175.9	-177.3	0	0	0	0	111.1	Y231 D232 V404 T406 K485	Y231-C487 PolarHBondContact N-O 3.48Å; D232-C487 PolarHBondContact N-O 3.47Å; V404-C487 WeakPolarHBondContact O-CA 3.29Å; V404-C487 VanDerWaalsContact O-CB 3.23Å; V404-C487 WeakPolarHBondContact O-CB 3.37Å; V404-C487 PolarHBondContact O-N 2.92Å; T406-C487 HydrophobicContact CG2-CB 4.31Å; K485-C487 PolarHBondContact O-N 2.98Å
488	I	98.7	Very high	96.2	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.5	-176	-60.7	154.7	0	0	0	110.1	V227 E229 A236 M239 I241 Y403 V404 L490	V227-I488 HydrophobicContact CG1-CG2 3.96Å; V227-I488 HydrophobicContact CG2-CG2 4.28Å; E229-I488 WeakPolarHBondContact O-CA 3.01Å; A236-I488 HydrophobicContact CB-CD1 3.97Å; A236-I488 HydrophobicContact CB-CG1 3.94Å; M239-I488 HydrophobicContact SD-CD1 4.28Å; I241-I488 HydrophobicContact CB-CD1 4Å; I241-I488 HydrophobicContact CG1-CD1 3.9Å; I241-I488 HydrophobicContact CG2-CD1 4.12Å; Y403-I488 CarbonylContact C-O 3.41Å; Y403-I488 VanDerWaalsContact CA-O 3.31Å; Y403-I488 WeakPolarHBondContact CA-O 3.3Å; Y403-I488 WeakPolarHBondContact CD1-O 3.26Å; V404-I488 HydrophobicContact CB-CB 4.07Å; V404-I488 HydrophobicContact CB-CD1 4.32Å; V404-I488 HydrophobicContact CG2-CB 4.3Å; V404-I488 HydrophobicContact CG2-CD1 4.39Å; V404-I488 PolarHBondContact N-O 2.98Å; V404-I488 PolarHBondContact O-N 2.84Å; I488-L490 HydrophobicContact CG2-CD2 4.13Å; I488-L490 HydrophobicContact CG2-CG 4.13Å
489	R	98.6	Very high	96.1	Very high	69 Å²	69	24.9 Å²	24.9	26%	0.26	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.7	162.6	-170.2	170.3	71.1	-163.5	1.8	109.6	D228 E229 Y231 C401 Y403	D228-R489 PolarHBondContact N-O 3.42Å; D228-R489 IonicContact OD2-CZ 2.79Å; D228-R489 IonicContact OD2-NE 3.85Å; D228-R489 PolarHBondContact OD2-NE 3.37Å; D228-R489 IonicContact OD2-NH2 3.13Å; D228-R489 PolarHBondContact OD2-NH2 3.22Å; E229-R489 HydrophobicContact CB-CB 3.84Å; E229-R489 PolarHBondContact N-O 2.76Å; E229-R489 PolarHBondContact O-N 3.16Å; Y231-R489 HydrophobicContact CE2-CB 3.93Å; C401-R489 HydrophobicContact CB-CG 3.76Å; Y403-R489 HydrophobicContact CD1-CB 4.06Å; Y403-R489 HydrophobicContact CD1-CG 4.21Å; Y403-R489 HydrophobicContact CE1-CB 3.77Å; Y403-R489 HydrophobicContact CE1-CG 3.7Å; Y403-R489 HydrophobicContact CE2-CG 4.34Å; Y403-R489 VanDerWaalsContact OH-CD 3.28Å; Y403-R489 WeakPolarHBondContact OH-CD 3.21Å
490	L	98.6	Very high	96	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.9	178.6	-65	162.3	0	0	0	109	L125 Q225 V226 V227 C248 M250 C401 S402 V404 I488	L125-L490 HydrophobicContact CD1-CD1 4Å; L125-L490 HydrophobicContact CD2-CD1 3.91Å; Q225-L490 HydrophobicContact CB-CB 4.06Å; Q225-L490 HydrophobicContact CB-CD2 4.47Å; Q225-L490 VanDerWaalsContact OE1-CB 3.26Å; Q225-L490 VanDerWaalsContact OE1-CD1 3.25Å; V226-L490 CarbonylContact O-C 3.6Å; V226-L490 VanDerWaalsContact O-CA 3.31Å; V226-L490 WeakPolarHBondContact O-CA 3.4Å; V227-L490 HydrophobicContact CG2-CD2 3.8Å; C248-L490 HydrophobicContact CB-CD2 4.12Å; M250-L490 HydrophobicContact CE-CD1 4.03Å; C401-L490 CarbonylContact C-O 2.94Å; C401-L490 WeakPolarHBondContact CA-O 3.44Å; C401-L490 WeakPolarHBondContact CB-O 3.35Å; S402-L490 PolarHBondContact N-O 2.67Å; S402-L490 PolarHBondContact O-N 2.72Å; V404-L490 HydrophobicContact CG2-CD1 4.13Å; I488-L490 HydrophobicContact CG2-CD2 4.13Å; I488-L490 HydrophobicContact CG2-CG 4.13Å
491	R	97.4	Very high	95.9	Very high	79 Å²	79	19.2 Å²	19.2	30%	0.298	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.8	169.6	69.7	172.8	168.3	81.8	-4.6	111.4	E132 Q225 V226 D228	E132-R491 IonicContact OE1-CZ 3.17Å; E132-R491 IonicContact OE1-NH1 3.75Å; E132-R491 PolarHBondContact OE1-NH1 2.87Å; E132-R491 IonicContact OE1-NH2 2.71Å; E132-R491 PolarHBondContact OE1-NH2 3.38Å; E132-R491 IonicContact OE2-CZ 3.74Å; E132-R491 IonicContact OE2-NH2 2.67Å; E132-R491 PolarHBondContact OE2-NH2 2.82Å; Q225-R491 CarbonylContact C-O 3.44Å; Q225-R491 WeakPolarHBondContact CA-O 3.45Å; Q225-R491 WeakPolarHBondContact CB-O 3.33Å; V226-R491 HydrophobicContact CB-CG 4.23Å; V226-R491 PolarHBondContact N-O 3.27Å; V226-R491 PolarHBondContact O-N 3.43Å; D228-R491 HydrophobicContact CB-CB 4.47Å; D228-R491 HydrophobicContact CB-CG 4.28Å
492	P	97.5	Very high	95.7	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.058	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	143.7	177.5	28.8	-34.1	0	0	0	111.3	T400 I450 V495	T400-P492 VanDerWaalsContact O-CD 3.22Å; T400-P492 WeakPolarHBondContact O-CD 3.42Å; I450-P492 HydrophobicContact CD1-CG 3.92Å; P492-V495 HydrophobicContact CB-CG2 4.2Å
493	I	97.8	Very high	95.6	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	-25.1	168.8	59.2	165.3	0	0	0	111.9	V135 K139 V224 V226 I450 S451	V135-I493 HydrophobicContact CB-CD1 4.25Å; V135-I493 HydrophobicContact CG1-CD1 3.76Å; K139-I493 HydrophobicContact CD-CB 4.42Å; K139-I493 WeakPolarHBondContact CD-O 3.49Å; V224-I493 HydrophobicContact CB-CG1 4.16Å; V224-I493 HydrophobicContact CG1-CD1 3.95Å; V224-I493 HydrophobicContact CG1-CG1 3.93Å; V224-I493 VanDerWaalsContact O-CG1 3.29Å; V224-I493 WeakPolarHBondContact O-CG1 3.45Å; V224-I493 PolarHBondContact O-N 2.85Å; V226-I493 HydrophobicContact CG2-CD1 3.79Å; V226-I493 HydrophobicContact CG2-CG1 4.15Å; V226-I493 HydrophobicContact CG2-CG2 3.72Å; I450-I493 WeakPolarHBondContact CA-O 3.29Å; S451-I493 PolarHBondContact N-O 2.78Å
494	A	97.3	Very high	95.4	Very high	3 Å²	3	21.5 Å²	21.5	3%	0.025	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.3	170	0	0	0	0	0	111.1	K139 A143 E223 V224 S451	K139-A494 HydrophobicContact CG-CB 4.45Å; A143-A494 HydrophobicContact CB-CB 4Å; E223-A494 CarbonylContact C-O 3.55Å; E223-A494 VanDerWaalsContact CA-O 3.3Å; E223-A494 WeakPolarHBondContact CA-O 3.38Å; V224-A494 HydrophobicContact CB-CB 4.04Å; V224-A494 HydrophobicContact CG2-CB 4.17Å; V224-A494 PolarHBondContact N-O 2.94Å; V224-A494 PolarHBondContact O-N 3.24Å; V224-A494 VanDerWaalsContact O-N 3.16Å; S451-A494 CarbonylContact O-C 3.53Å; S451-A494 WeakPolarHBondContact O-CA 3.04Å
495	V	95.6	Very high	95.2	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	128.2	-176.4	-173.1	0	0	0	0	109.9	E223 M398 I450 S451 I452 R453 P492	E223-V495 HydrophobicContact CG-CB 4.18Å; E223-V495 HydrophobicContact CG-CG1 3.83Å; E223-V495 HydrophobicContact CG-CG2 3.9Å; M398-V495 HydrophobicContact CB-CB 4.46Å; M398-V495 HydrophobicContact CB-CG1 3.9Å; M398-V495 HydrophobicContact CB-CG2 4.17Å; I450-V495 HydrophobicContact CG2-CG2 3.7Å; S451-V495 PolarHBondContact O-N 3.14Å; I452-V495 CarbonylContact C-O 3.59Å; I452-V495 WeakPolarHBondContact CA-O 3.29Å; I452-V495 HydrophobicContact CG1-CB 4.41Å; R453-V495 PolarHBondContact N-O 3.32Å; P492-V495 HydrophobicContact CB-CG2 4.2Å
496	I	93.2	Very high	94.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.6	165.2	65.8	160.7	0	0	0	109.6	A143 L146 F147 I150 L215 Y221 G222 R453	A143-I496 WeakPolarHBondContact O-CG2 3.33Å; L146-I496 HydrophobicContact CB-CD1 4.15Å; L146-I496 HydrophobicContact CB-CG2 3.95Å; F147-I496 HydrophobicContact CB-CG2 3.98Å; F147-I496 HydrophobicContact CD2-CB 4.29Å; F147-I496 HydrophobicContact CD2-CG2 4.37Å; I150-I496 HydrophobicContact CB-CD1 3.77Å; I150-I496 HydrophobicContact CD1-CD1 3.83Å; I150-I496 HydrophobicContact CG1-CD1 4.34Å; I150-I496 HydrophobicContact CG2-CD1 4.04Å; L215-I496 HydrophobicContact CD1-CD1 3.64Å; L215-I496 HydrophobicContact CD1-CG1 3.81Å; Y221-I496 VanDerWaalsContact CA-O 3.27Å; Y221-I496 WeakPolarHBondContact CA-O 3.41Å; Y221-I496 WeakPolarHBondContact CB-O 3.42Å; G222-I496 PolarHBondContact N-O 3.43Å; G222-I496 VanDerWaalsContact O-CG1 3.29Å; G222-I496 WeakPolarHBondContact O-CG1 3.38Å; G222-I496 PolarHBondContact O-N 2.81Å; R453-I496 HydrophobicContact CB-CG2 4.23Å; R453-I496 CarbonylContact O-C 3.45Å; R453-I496 WeakPolarHBondContact O-CA 3.44Å
497	K	88.2	Confident	94.6	Very high	13 Å²	13	16.1 Å²	16.1	6%	0.057	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.3	-175.3	-157.1	164.1	-175.6	66.5	0	111.4	G218 H220 M398 R453 V454 A455 E463	G218-K497 WeakPolarHBondContact O-CE 3.25Å; G218-K497 PolarHBondContact O-NZ 3.25Å; H220-K497 WeakPolarHBondContact O-CG 3.46Å; H220-K497 PolarHBondContact O-NZ 3.42Å; M398-K497 HydrophobicContact SD-CD 4.43Å; R453-K497 PolarHBondContact O-N 2.59Å; V454-K497 VanDerWaalsContact CA-O 3.32Å; V454-K497 WeakPolarHBondContact CA-O 3.42Å; V454-K497 HydrophobicContact CG1-CB 3.99Å; A455-K497 PolarHBondContact N-O 3.16Å; E463-K497 HydrophobicContact CB-CD 4.45Å; E463-K497 VanDerWaalsContact CB-CE 3.41Å; E463-K497 VanDerWaalsContact CG-CE 3.46Å
498	G	74	Confident	94.3	Very high	12 Å²	12	17.5 Å²	17.5	12%	0.124	8%	0.079	C	C	.	.			trans	-108.7	0	177.9	0	0	0	0	0	115.7	G153 G216	G153-G498 VanDerWaalsContact CA-OXT 3.31Å; G153-G498 WeakPolarHBondContact CA-OXT 3.27Å; G216-G498 CarbonylContact O-C 3.39Å; G216-G498 WeakPolarHBondContact O-CA 3.32Å

Retrieved 498 of 498 residues in 1361.1 ms (Link to these results)

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