A0A077ZFE7_TRITR Loading...

Autophagy-related protein 101

AlphaFold DB , UniProt , Accession A0A077ZFE7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 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	56.3	Low	90.5	Very high	171 Å²	171	77.6 Å²	77.6	84%	0.842	42%	0.421	S	S	*	.				0	122.2	0	-175.3	176.6	-93.3	0	0	105.1	Y164	M1-Y164 HydrophobicContact SD-CD1 4.44Å; M1-Y164 HydrophobicContact SD-CD2 4.47Å; M1-Y164 HydrophobicContact SD-CG 4.24Å
2	N	80.5	Confident	91.1	Very high	163 Å²	163	71.2 Å²	71.2	87%	0.872	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-81.6	132.5	178.8	-65.6	-10.8	0	0	0	107.7
3	A	89.2	Confident	91.4	Very high	23 Å²	23	66.4 Å²	66.4	19%	0.19	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-60	142.2	172.9	0	0	0	0	0	109.7	S5 P118 I121	A3-S5 PolarHBondContact O-N 2.74Å; A3-P118 HydrophobicContact CB-CB 4.07Å; A3-P118 HydrophobicContact CB-CG 4.49Å; A3-I121 HydrophobicContact CB-CD1 3.88Å; A3-I121 HydrophobicContact CB-CG1 4.01Å
4	A	92.9	Very high	91.6	Very high	43 Å²	43	66.6 Å²	66.6	36%	0.355	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	134.8	168.8	0	0	0	0	0	108.6	W119 E120 I121 M163	A4-W119 PolarHBondContact N-O 3.44Å; A4-E120 CarbonylContact O-C 3.51Å; A4-E120 VanDerWaalsContact O-CA 3.31Å; A4-E120 WeakPolarHBondContact O-CA 3.4Å; A4-I121 PolarHBondContact O-N 3.46Å; A4-M163 HydrophobicContact CB-CE 3.44Å; A4-M163 VanDerWaalsContact CB-CE 3.44Å
5	S	94.4	Very high	91.8	Very high	79 Å²	79	68.4 Å²	68.4	55%	0.552	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.8	-176.8	61.2	0	0	0	0	111.5	A3 I121	A3-S5 PolarHBondContact O-N 2.74Å; S5-I121 CarbonylContact C-O 3.59Å; S5-I121 VanDerWaalsContact CA-O 3.27Å; S5-I121 WeakPolarHBondContact CA-O 3.32Å
6	Q	95.6	Very high	92.1	Very high	60 Å²	60	64.1 Å²	64.1	28%	0.28	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.1	170.2	-60.8	-162.9	20.6	0	0	110.4	I121 W122 M123 S158	Q6-I121 PolarHBondContact N-O 2.85Å; Q6-W122 HydrophobicContact CB-CD2 4.23Å; Q6-W122 HydrophobicContact CB-CE3 3.57Å; Q6-W122 HydrophobicContact CB-CH2 4.39Å; Q6-W122 HydrophobicContact CB-CZ3 3.7Å; Q6-W122 HydrophobicContact CG-CE3 4.17Å; Q6-W122 HydrophobicContact CG-CH2 4.1Å; Q6-W122 HydrophobicContact CG-CZ3 3.89Å; Q6-M123 PolarHBondContact O-N 2.84Å; Q6-S158 PolarHBondContact NE2-OG 2.94Å; Q6-S158 VanDerWaalsContact NE2-OG 3.17Å; Q6-S158 PolarHBondContact OE1-OG 3.27Å
7	Q	96.7	Very high	92.4	Very high	118 Å²	118	60.8 Å²	60.8	55%	0.551	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.8	-177.4	-65.3	-175.9	-37.3	0	0	109.4	M123	Q7-M123 CarbonylContact C-O 3.53Å; Q7-M123 WeakPolarHBondContact CA-O 3.33Å; Q7-M123 HydrophobicContact CG-CB 4.08Å; Q7-M123 HydrophobicContact CG-CE 3.45Å; Q7-M123 VanDerWaalsContact CG-CE 3.45Å; Q7-M123 HydrophobicContact CG-SD 4.09Å; Q7-M123 PolarHBondContact NE2-SD 3.13Å; Q7-M123 VanDerWaalsContact NE2-SD 3.43Å
8	F	97.8	Very high	92.7	Very high	23 Å²	23	61.4 Å²	61.4	10%	0.101	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	152.8	171.8	-59.7	-58.1	0	0	0	109.5	W122 M123 V124 H125 I151 I155	F8-W122 HydrophobicContact CD2-CE3 4.47Å; F8-W122 AromaticContact CE2-CE3 3.48Å; F8-W122 HydrophobicContact CE2-CE3 3.48Å; F8-W122 VanDerWaalsContact CE2-CE3 3.48Å; F8-W122 AromaticContact CE2-CZ3 3.68Å; F8-W122 HydrophobicContact CE2-CZ3 3.68Å; F8-W122 AromaticContact CZ-CE3 3.93Å; F8-W122 HydrophobicContact CZ-CE3 3.93Å; F8-W122 AromaticContact CZ-CZ3 3.64Å; F8-W122 HydrophobicContact CZ-CZ3 3.64Å; F8-M123 PolarHBondContact N-O 3.3Å; F8-V124 WeakPolarHBondContact O-CA 3.37Å; F8-H125 PolarHBondContact O-CD2 3.23Å; F8-H125 PolarHBondContact O-N 3.3Å; F8-I151 HydrophobicContact CB-CD1 4.15Å; F8-I151 HydrophobicContact CB-CG1 4.45Å; F8-I151 HydrophobicContact CD1-CG1 4.07Å; F8-I151 HydrophobicContact CD1-CG2 4.09Å; F8-I151 HydrophobicContact CD2-CG2 3.83Å; F8-I151 HydrophobicContact CE1-CG2 4.16Å; F8-I151 HydrophobicContact CE2-CG2 3.87Å; F8-I151 HydrophobicContact CG-CD1 4.47Å; F8-I151 HydrophobicContact CG-CG1 4.28Å; F8-I151 HydrophobicContact CG-CG2 3.93Å; F8-I151 HydrophobicContact CZ-CG2 4.03Å; F8-I155 HydrophobicContact CE2-CD1 3.92Å; F8-I155 HydrophobicContact CE2-CG1 3.75Å; F8-I155 HydrophobicContact CZ-CD1 4.29Å; F8-I155 HydrophobicContact CZ-CG1 3.67Å
9	E	97.2	Very high	93	Very high	125 Å²	125	59.4 Å²	59.4	58%	0.584	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.5	171.7	-173.8	-179.6	164.8	0	0	108.2	H125	E9-H125 CarbonylContact C-O 3.58Å; E9-H125 WeakPolarHBondContact CA-O 3.32Å; E9-H125 HydrophobicContact CB-CB 4.44Å; E9-H125 HydrophobicContact CG-CB 4.34Å
10	I	97.9	Very high	93.3	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.1	173.9	59.8	173.5	0	0	0	109.2	V12 A20 I24 V124 H125 V126 N127 L148 I151	I10-V12 HydrophobicContact CB-CG1 4.18Å; I10-V12 HydrophobicContact CD1-CG1 4.07Å; I10-V12 HydrophobicContact CG1-CG1 4.25Å; I10-A20 HydrophobicContact CD1-CB 3.75Å; I10-I24 HydrophobicContact CG2-CD1 4.31Å; I10-V124 HydrophobicContact CD1-CG1 3.82Å; I10-V124 HydrophobicContact CG1-CG1 3.86Å; I10-H125 PolarHBondContact N-O 2.76Å; I10-V126 HydrophobicContact CD1-CG2 4.1Å; I10-V126 HydrophobicContact CG1-CB 4.43Å; I10-V126 HydrophobicContact CG1-CG1 4.42Å; I10-V126 HydrophobicContact CG1-CG2 4.13Å; I10-N127 PolarHBondContact O-N 2.97Å; I10-L148 HydrophobicContact CG2-CD2 4.25Å; I10-I151 HydrophobicContact CG2-CD1 3.45Å; I10-I151 VanDerWaalsContact CG2-CD1 3.45Å
11	T	97.3	Very high	93.5	Very high	47 Å²	47	53.7 Å²	53.7	29%	0.288	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.8	170.5	-68.9	0	0	0	0	108.5	N127 V129 M140 V144	T11-N127 CarbonylContact C-O 3.56Å; T11-N127 VanDerWaalsContact CA-O 3.29Å; T11-N127 WeakPolarHBondContact CA-O 3.48Å; T11-N127 WeakPolarHBondContact CG2-ND2 3.25Å; T11-N127 PolarHBondContact OG1-ND2 3.05Å; T11-N127 VanDerWaalsContact OG1-ND2 3.09Å; T11-V129 HydrophobicContact CG2-CG1 3.62Å; T11-V129 HydrophobicContact CG2-CG2 4.29Å; T11-M140 WeakPolarHBondContact O-CE 3.37Å; T11-V144 WeakPolarHBondContact O-CG2 3.11Å
12	V	97.5	Very high	95.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.5	-168.5	-63.8	0	0	0	0	110.8	I10 Q16 I17 A20 V126 N127 V128 V129 V144	I10-V12 HydrophobicContact CB-CG1 4.18Å; I10-V12 HydrophobicContact CD1-CG1 4.07Å; I10-V12 HydrophobicContact CG1-CG1 4.25Å; V12-Q16 HydrophobicContact CB-CB 4.12Å; V12-I17 HydrophobicContact CG2-CB 4.41Å; V12-I17 HydrophobicContact CG2-CG1 3.57Å; V12-A20 HydrophobicContact CG1-CB 4.18Å; V12-V126 HydrophobicContact CG2-CG1 3.79Å; V12-N127 PolarHBondContact N-O 3.16Å; V12-V128 CarbonylContact O-C 3.56Å; V12-V128 VanDerWaalsContact O-CA 3.27Å; V12-V128 WeakPolarHBondContact O-CA 3.18Å; V12-V129 WeakPolarHBondContact O-CG2 3.48Å; V12-V129 PolarHBondContact O-N 2.87Å; V12-V144 HydrophobicContact CG1-CG1 3.91Å; V12-V144 HydrophobicContact CG1-CG2 3.94Å
13	E	95.2	Very high	96.4	Very high	9 Å²	9	38 Å²	38	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	163	162.3	56.5	163	142.6	0	0	111.6	R15 Q16 V129 P131 H137	E13-R15 HydrophobicContact CG-CG 4.06Å; E13-R15 PolarHBondContact O-N 3.3Å; E13-R15 IonicContact OE1-CZ 2.88Å; E13-R15 VanDerWaalsContact OE1-CZ 3.25Å; E13-R15 IonicContact OE1-NE 3.49Å; E13-R15 PolarHBondContact OE1-NE 3.2Å; E13-R15 IonicContact OE1-NH2 3.56Å; E13-R15 PolarHBondContact OE1-NH2 3.3Å; E13-R15 WeakPolarHBondContact OE2-CD 3.23Å; E13-R15 IonicContact OE2-CZ 3.02Å; E13-R15 IonicContact OE2-NE 3.44Å; E13-R15 PolarHBondContact OE2-NE 2.94Å; E13-R15 IonicContact OE2-NH2 3.01Å; E13-Q16 HydrophobicContact CG-CB 4.38Å; E13-Q16 VanDerWaalsContact CG-CD 3.48Å; E13-Q16 HydrophobicContact CG-CG 3.73Å; E13-Q16 VanDerWaalsContact N-OE1 3.09Å; E13-Q16 WeakPolarHBondContact O-CB 3.41Å; E13-Q16 PolarHBondContact O-N 2.82Å; E13-V129 WeakPolarHBondContact CA-O 3.46Å; E13-P131 HydrophobicContact CB-CG 3.94Å; E13-H137 IonicContact OE1-CE1 3.72Å; E13-H137 IonicContact OE1-CG 2.64Å; E13-H137 IonicContact OE1-ND1 3.86Å; E13-H137 PolarHBondContact OE1-ND1 2.87Å; E13-H137 IonicContact OE2-CE1 2.86Å; E13-H137 PolarHBondContact OE2-CE1 3.23Å; E13-H137 IonicContact OE2-ND1 3.22Å; E13-H137 PolarHBondContact OE2-ND1 2.8Å
14	S	93.5	Very high	96.9	Very high	70 Å²	70	36.9 Å²	36.9	49%	0.49	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-35.2	-170.4	-56.5	0	0	0	0	115.1	Q16	S14-Q16 VanDerWaalsContact C-N 3.31Å; S14-Q16 PolarHBondContact O-N 3.28Å
15	R	94.6	Very high	97.1	Very high	93 Å²	93	34.9 Å²	34.9	35%	0.351	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.7	-179.6	66.6	-172.4	-178.7	171.1	-1.5	114.1	E13 F59 H137	E13-R15 HydrophobicContact CG-CG 4.06Å; E13-R15 PolarHBondContact O-N 3.3Å; E13-R15 IonicContact OE1-CZ 2.88Å; E13-R15 VanDerWaalsContact OE1-CZ 3.25Å; E13-R15 IonicContact OE1-NE 3.49Å; E13-R15 PolarHBondContact OE1-NE 3.2Å; E13-R15 IonicContact OE1-NH2 3.56Å; E13-R15 PolarHBondContact OE1-NH2 3.3Å; E13-R15 WeakPolarHBondContact OE2-CD 3.23Å; E13-R15 IonicContact OE2-CZ 3.02Å; E13-R15 IonicContact OE2-NE 3.44Å; E13-R15 PolarHBondContact OE2-NE 2.94Å; E13-R15 IonicContact OE2-NH2 3.01Å; R15-F59 HydrophobicContact CB-CD1 4.26Å; R15-F59 HydrophobicContact CB-CD2 4.22Å; R15-F59 HydrophobicContact CB-CE1 4.45Å; R15-F59 HydrophobicContact CB-CE2 4.41Å; R15-F59 HydrophobicContact CB-CG 4.13Å; R15-F59 VanDerWaalsContact CD-CD1 3.46Å; R15-F59 HydrophobicContact CG-CB 4.08Å; R15-F59 HydrophobicContact CG-CD1 3.86Å; R15-F59 HydrophobicContact CG-CD2 4.44Å; R15-F59 HydrophobicContact CG-CE1 4.41Å; R15-F59 HydrophobicContact CG-CG 3.86Å; R15-F59 VanDerWaalsContact O-CD2 3.28Å; R15-F59 WeakPolarHBondContact O-CD2 3.34Å; R15-H137 VanDerWaalsContact NH2-CB 3.32Å; R15-H137 PolarHBondContact NH2-ND1 3.41Å
16	Q	97.7	Very high	97.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-15.7	-179.1	-67.3	175.3	-38.2	0	0	112.9	V12 E13 S14 E18 E19 A20 F59 I60 M140	V12-Q16 HydrophobicContact CB-CB 4.12Å; E13-Q16 HydrophobicContact CG-CB 4.38Å; E13-Q16 VanDerWaalsContact CG-CD 3.48Å; E13-Q16 HydrophobicContact CG-CG 3.73Å; E13-Q16 VanDerWaalsContact N-OE1 3.09Å; E13-Q16 WeakPolarHBondContact O-CB 3.41Å; E13-Q16 PolarHBondContact O-N 2.82Å; S14-Q16 VanDerWaalsContact C-N 3.31Å; S14-Q16 PolarHBondContact O-N 3.28Å; Q16-E18 VanDerWaalsContact C-N 3.3Å; Q16-E18 PolarHBondContact O-N 3.26Å; Q16-E19 PolarHBondContact O-N 3.23Å; Q16-A20 VanDerWaalsContact O-CB 3.24Å; Q16-A20 WeakPolarHBondContact O-CB 3.49Å; Q16-A20 PolarHBondContact O-N 2.65Å; Q16-F59 HydrophobicContact CG-CB 3.91Å; Q16-F59 PolarHBondContact NE2-O 3.07Å; Q16-I60 HydrophobicContact CB-CD1 4.13Å; Q16-I60 HydrophobicContact CB-CG1 4.02Å; Q16-I60 HydrophobicContact CG-CG1 3.89Å; Q16-M140 PolarHBondContact NE2-O 3.41Å
17	I	96.5	Very high	97.5	Very high	7 Å²	7	29 Å²	29	4%	0.036	14%	0.143	C	C	.	.	H	α-helix	trans	-58.2	-44.5	-172.1	-57.7	166.8	0	0	0	111.1	V12 A20 I21 F83 L84 M87 V126 V128	V12-I17 HydrophobicContact CG2-CB 4.41Å; V12-I17 HydrophobicContact CG2-CG1 3.57Å; I17-A20 PolarHBondContact O-N 2.87Å; I17-I21 HydrophobicContact CG2-CD1 3.5Å; I17-I21 HydrophobicContact CG2-CG1 4.28Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.26Å; I17-I21 PolarHBondContact O-N 2.94Å; I17-F83 HydrophobicContact CG2-CE1 4.34Å; I17-L84 HydrophobicContact CB-CD2 3.55Å; I17-L84 HydrophobicContact CD1-CD2 3.84Å; I17-L84 HydrophobicContact CG1-CD2 4.31Å; I17-L84 HydrophobicContact CG2-CD2 3.34Å; I17-M87 HydrophobicContact CD1-SD 4.49Å; I17-V126 HydrophobicContact CG1-CG1 4.34Å; I17-V126 HydrophobicContact CG2-CG1 4.12Å; I17-V128 HydrophobicContact CD1-CG2 3.65Å; I17-V128 HydrophobicContact CG1-CG2 4.27Å
18	E	97.4	Very high	97.6	Very high	72 Å²	72	23.4 Å²	23.4	34%	0.336	12%	0.117	S	C	.	.	H	α-helix	trans	-59.7	-53.9	-178.7	-167.9	175.6	131	0	0	111.6	Q16 A20 I21 S22 Q77 I80 L84	Q16-E18 VanDerWaalsContact C-N 3.3Å; Q16-E18 PolarHBondContact O-N 3.26Å; E18-A20 VanDerWaalsContact C-N 3.34Å; E18-A20 PolarHBondContact O-N 2.89Å; E18-I21 PolarHBondContact O-N 3.1Å; E18-S22 VanDerWaalsContact O-CB 3.25Å; E18-S22 WeakPolarHBondContact O-CB 3.35Å; E18-S22 PolarHBondContact O-N 3.19Å; E18-S22 PolarHBondContact O-OG 3.07Å; E18-S22 VanDerWaalsContact O-OG 3.05Å; E18-Q77 PolarHBondContact OE1-NE2 3.37Å; E18-I80 HydrophobicContact CB-CG2 4.45Å; E18-I80 HydrophobicContact CG-CG2 4.02Å; E18-L84 HydrophobicContact CB-CD1 3.95Å; E18-L84 HydrophobicContact CG-CD1 4.31Å
19	E	98.5	Very high	97.6	Very high	23 Å²	23	22.3 Å²	22.3	11%	0.107	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-39.6	-179.6	-60.6	-175.7	144	0	0	112	Q16 S22 C23 C57 D58 F59 I60	Q16-E19 PolarHBondContact O-N 3.23Å; E19-S22 PolarHBondContact O-N 2.85Å; E19-C23 VanDerWaalsContact O-CB 3.25Å; E19-C23 WeakPolarHBondContact O-CB 3.44Å; E19-C23 PolarHBondContact O-N 2.83Å; E19-C57 HydrophobicContact CB-CB 4.42Å; E19-C57 HydrophobicContact CG-CB 4.49Å; E19-C57 WeakPolarHBondContact OE1-CA 3.47Å; E19-D58 WeakPolarHBondContact OE1-CA 3.5Å; E19-D58 WeakPolarHBondContact OE1-CB 3.36Å; E19-D58 PolarHBondContact OE1-N 3.34Å; E19-F59 PolarHBondContact OE1-N 3.07Å; E19-F59 WeakPolarHBondContact OE2-CA 3.32Å; E19-F59 WeakPolarHBondContact OE2-CB 3.49Å; E19-F59 PolarHBondContact OE2-N 3.11Å; E19-I60 HydrophobicContact CB-CD1 3.63Å; E19-I60 HydrophobicContact CB-CG1 4.34Å; E19-I60 PolarHBondContact OE2-N 3.32Å
20	A	98.7	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65	-45.8	179.3	0	0	0	0	0	112	I10 V12 Q16 I17 E18 I24 I60 L148	I10-A20 HydrophobicContact CD1-CB 3.75Å; V12-A20 HydrophobicContact CG1-CB 4.18Å; Q16-A20 VanDerWaalsContact O-CB 3.24Å; Q16-A20 WeakPolarHBondContact O-CB 3.49Å; Q16-A20 PolarHBondContact O-N 2.65Å; I17-A20 PolarHBondContact O-N 2.87Å; E18-A20 VanDerWaalsContact C-N 3.34Å; E18-A20 PolarHBondContact O-N 2.89Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 2.8Å; A20-I60 HydrophobicContact CB-CD1 3.98Å; A20-L148 HydrophobicContact CB-CD1 3.89Å; A20-L148 HydrophobicContact CB-CD2 4.16Å
21	I	98.5	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.7	-43.9	177.1	-63.7	166	0	0	0	110.3	I17 E18 C23 I24 F25 I80 F83 I98 V126	I17-I21 HydrophobicContact CG2-CD1 3.5Å; I17-I21 HydrophobicContact CG2-CG1 4.28Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.26Å; I17-I21 PolarHBondContact O-N 2.94Å; E18-I21 PolarHBondContact O-N 3.1Å; I21-C23 VanDerWaalsContact C-N 3.32Å; I21-C23 PolarHBondContact O-N 2.72Å; I21-I24 PolarHBondContact O-N 3.22Å; I21-F25 HydrophobicContact CG2-CD1 4.39Å; I21-F25 HydrophobicContact CG2-CD2 3.91Å; I21-F25 HydrophobicContact CG2-CE2 4.05Å; I21-F25 HydrophobicContact CG2-CG 4.11Å; I21-F25 HydrophobicContact CG2-CZ 4.35Å; I21-F25 WeakPolarHBondContact O-CB 3.15Å; I21-F25 PolarHBondContact O-N 2.9Å; I21-I80 HydrophobicContact CB-CD1 4.21Å; I21-I80 HydrophobicContact CB-CG1 4.44Å; I21-I80 HydrophobicContact CB-CG2 4.36Å; I21-I80 HydrophobicContact CD1-CG2 4.37Å; I21-I80 HydrophobicContact CG2-CD1 3.71Å; I21-I80 HydrophobicContact CG2-CG1 3.72Å; I21-I80 HydrophobicContact CG2-CG2 4.46Å; I21-F83 HydrophobicContact CD1-CD1 3.6Å; I21-F83 HydrophobicContact CD1-CE1 3.68Å; I21-I98 HydrophobicContact CD1-CD1 4.5Å; I21-I98 HydrophobicContact CD1-CG2 3.94Å; I21-I98 HydrophobicContact CG1-CG2 4.11Å; I21-I98 HydrophobicContact CG2-CD1 4.1Å; I21-I98 HydrophobicContact CG2-CG2 4.16Å; I21-V126 HydrophobicContact CD1-CG2 4.43Å
22	S	98.7	Very high	97.6	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.028	10%	0.096	C	C	.	.	H	α-helix	trans	-57.1	-45.6	177.6	-74.4	0	0	0	0	111.5	E18 E19 I24 F25 H26 I80	E18-S22 VanDerWaalsContact O-CB 3.25Å; E18-S22 WeakPolarHBondContact O-CB 3.35Å; E18-S22 PolarHBondContact O-N 3.19Å; E18-S22 PolarHBondContact O-OG 3.07Å; E18-S22 VanDerWaalsContact O-OG 3.05Å; E19-S22 PolarHBondContact O-N 2.85Å; S22-I24 PolarHBondContact O-N 3.13Å; S22-F25 PolarHBondContact O-N 3.36Å; S22-H26 WeakPolarHBondContact O-CB 3.23Å; S22-H26 PolarHBondContact O-CD2 3.14Å; S22-H26 VanDerWaalsContact O-CD2 3.25Å; S22-H26 PolarHBondContact O-N 3.12Å; S22-I80 WeakPolarHBondContact OG-CD1 3.35Å
23	C	98.8	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-53.3	-51.3	174.8	174	0	0	0	0	112	E19 I21 T27 Y64 L148	E19-C23 VanDerWaalsContact O-CB 3.25Å; E19-C23 WeakPolarHBondContact O-CB 3.44Å; E19-C23 PolarHBondContact O-N 2.83Å; I21-C23 VanDerWaalsContact C-N 3.32Å; I21-C23 PolarHBondContact O-N 2.72Å; C23-T27 WeakPolarHBondContact O-CB 3.25Å; C23-T27 PolarHBondContact O-N 2.95Å; C23-T27 VanDerWaalsContact O-N 3.17Å; C23-T27 PolarHBondContact O-OG1 2.82Å; C23-Y64 HydrophobicContact CB-CD1 3.88Å; C23-Y64 HydrophobicContact CB-CE1 4.39Å; C23-Y64 HydrophobicContact CB-CG 3.94Å; C23-L148 HydrophobicContact CB-CD1 4.5Å
24	I	98.8	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.5	-50.8	-178.5	-61.6	170.3	0	0	0	110.5	I10 A20 I21 S22 T27 L28 V124 L148 I151 I155	I10-I24 HydrophobicContact CG2-CD1 4.31Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 2.8Å; I21-I24 PolarHBondContact O-N 3.22Å; S22-I24 PolarHBondContact O-N 3.13Å; I24-T27 WeakPolarHBondContact O-CB 3.48Å; I24-T27 PolarHBondContact O-N 2.79Å; I24-L28 HydrophobicContact CG2-CD1 4.09Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 2.98Å; I24-V124 HydrophobicContact CD1-CG1 4.03Å; I24-V124 HydrophobicContact CD1-CG2 3.9Å; I24-V124 HydrophobicContact CG2-CG2 4Å; I24-L148 HydrophobicContact CD1-CD2 3.85Å; I24-L148 HydrophobicContact CG1-CD2 3.9Å; I24-I151 HydrophobicContact CD1-CD1 4.29Å; I24-I151 HydrophobicContact CD1-CG2 4.1Å; I24-I151 HydrophobicContact CG1-CG2 3.95Å; I24-I155 HydrophobicContact CG2-CD1 4.01Å
25	F	98.8	Very high	97.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-72.8	-35.2	-172	-77.1	13	0	0	0	112.4	I21 S22 T27 L28 L29 L76 I98 I100 V124 I192	I21-F25 HydrophobicContact CG2-CD1 4.39Å; I21-F25 HydrophobicContact CG2-CD2 3.91Å; I21-F25 HydrophobicContact CG2-CE2 4.05Å; I21-F25 HydrophobicContact CG2-CG 4.11Å; I21-F25 HydrophobicContact CG2-CZ 4.35Å; I21-F25 WeakPolarHBondContact O-CB 3.15Å; I21-F25 PolarHBondContact O-N 2.9Å; S22-F25 PolarHBondContact O-N 3.36Å; F25-T27 VanDerWaalsContact C-N 3.34Å; F25-L28 HydrophobicContact CD1-CD1 4.12Å; F25-L28 PolarHBondContact O-N 3.18Å; F25-L29 WeakPolarHBondContact O-CB 3.42Å; F25-L29 WeakPolarHBondContact O-CG 3.29Å; F25-L29 PolarHBondContact O-N 3.3Å; F25-L76 HydrophobicContact CB-CD1 3.93Å; F25-L76 HydrophobicContact CB-CD2 3.87Å; F25-L76 HydrophobicContact CB-CG 4.44Å; F25-L76 HydrophobicContact CD2-CD1 3.84Å; F25-L76 HydrophobicContact CG-CD1 4.41Å; F25-I98 HydrophobicContact CE2-CD1 3.78Å; F25-I98 HydrophobicContact CE2-CG1 3.76Å; F25-I98 HydrophobicContact CZ-CB 4.39Å; F25-I98 HydrophobicContact CZ-CD1 4.26Å; F25-I98 HydrophobicContact CZ-CG1 3.81Å; F25-I98 HydrophobicContact CZ-CG2 3.99Å; F25-I100 HydrophobicContact CD1-CG2 4.18Å; F25-I100 HydrophobicContact CE1-CB 4.39Å; F25-I100 HydrophobicContact CE1-CG2 4.03Å; F25-I100 HydrophobicContact CE2-CB 4.29Å; F25-I100 HydrophobicContact CZ-CB 4.2Å; F25-I100 HydrophobicContact CZ-CG2 4.33Å; F25-V124 HydrophobicContact CE1-CG2 3.93Å; F25-I192 HydrophobicContact CD2-CD1 4.05Å; F25-I192 HydrophobicContact CE2-CD1 4.16Å; F25-I192 HydrophobicContact CE2-CG1 4.37Å; F25-I192 HydrophobicContact CE2-CG2 4.15Å
26	H	98.7	Very high	97.9	Very high	7 Å²	7	16.5 Å²	16.5	3%	0.032	8%	0.081	C	C	.	.	H	α-helix	trans	-64.2	-39.6	170.4	-80.7	-61.2	0	0	0	112.1	S22 L28 L29 L30 Y64 R66	S22-H26 WeakPolarHBondContact O-CB 3.23Å; S22-H26 PolarHBondContact O-CD2 3.14Å; S22-H26 VanDerWaalsContact O-CD2 3.25Å; S22-H26 PolarHBondContact O-N 3.12Å; H26-L28 VanDerWaalsContact C-N 3.33Å; H26-L28 PolarHBondContact O-N 3.33Å; H26-L29 PolarHBondContact O-N 2.96Å; H26-L30 WeakPolarHBondContact O-CB 3.35Å; H26-L30 PolarHBondContact O-N 2.94Å; H26-Y64 HydrophobicContact CB-CD2 4.26Å; H26-Y64 HydrophobicContact CB-CE2 3.91Å; H26-Y64 AromaticContact CD2-CE2 3.62Å; H26-R66 HydrophobicContact CB-CB 3.72Å
27	T	98.6	Very high	97.7	Very high	9 Å²	9	17.4 Å²	17.4	6%	0.055	9%	0.085	C	C	.	.	H	α-helix	trans	-59.6	-45	173.7	-58.9	0	0	0	0	111.1	C23 I24 F25 L30 H31 V152 I155	C23-T27 WeakPolarHBondContact O-CB 3.25Å; C23-T27 PolarHBondContact O-N 2.95Å; C23-T27 VanDerWaalsContact O-N 3.17Å; C23-T27 PolarHBondContact O-OG1 2.82Å; I24-T27 WeakPolarHBondContact O-CB 3.48Å; I24-T27 PolarHBondContact O-N 2.79Å; F25-T27 VanDerWaalsContact C-N 3.34Å; T27-L30 WeakPolarHBondContact O-CB 3.46Å; T27-L30 PolarHBondContact O-N 3.5Å; T27-H31 PolarHBondContact O-CD2 3.41Å; T27-H31 PolarHBondContact O-N 2.97Å; T27-V152 HydrophobicContact CG2-CG1 4.23Å; T27-I155 HydrophobicContact CG2-CB 4.39Å; T27-I155 HydrophobicContact CG2-CD1 4.36Å; T27-I155 HydrophobicContact CG2-CG2 3.96Å
28	L	98.6	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.5	-46.2	177.7	-66.2	172.4	0	0	0	111.9	I24 F25 H26 L30 H31 R32 I100 W122 I155 I159	I24-L28 HydrophobicContact CG2-CD1 4.09Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 2.98Å; F25-L28 HydrophobicContact CD1-CD1 4.12Å; F25-L28 PolarHBondContact O-N 3.18Å; H26-L28 VanDerWaalsContact C-N 3.33Å; H26-L28 PolarHBondContact O-N 3.33Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 2.71Å; L28-H31 PolarHBondContact O-N 2.84Å; L28-R32 WeakPolarHBondContact O-CB 3.28Å; L28-R32 WeakPolarHBondContact O-CG 3.17Å; L28-R32 PolarHBondContact O-N 2.68Å; L28-R32 VanDerWaalsContact O-N 3.1Å; L28-I100 HydrophobicContact CD1-CG2 3.42Å; L28-I100 VanDerWaalsContact CD1-CG2 3.42Å; L28-W122 HydrophobicContact CD1-CB 3.56Å; L28-W122 HydrophobicContact CD1-CD2 4.15Å; L28-W122 HydrophobicContact CD1-CG 3.65Å; L28-W122 HydrophobicContact CD2-CD2 3.47Å; L28-W122 VanDerWaalsContact CD2-CD2 3.47Å; L28-W122 HydrophobicContact CD2-CE3 3.88Å; L28-W122 HydrophobicContact CD2-CG 3.77Å; L28-W122 HydrophobicContact CD2-CH2 4.33Å; L28-W122 HydrophobicContact CD2-CZ2 4.01Å; L28-W122 HydrophobicContact CD2-CZ3 4.26Å; L28-W122 HydrophobicContact CG-CD2 4.48Å; L28-W122 HydrophobicContact CG-CG 4.37Å; L28-I155 HydrophobicContact CD2-CD1 3.99Å; L28-I155 HydrophobicContact CD2-CG1 4.21Å; L28-I155 HydrophobicContact CD2-CG2 3.77Å; L28-I155 HydrophobicContact CG-CD1 4.26Å; L28-I159 HydrophobicContact CD2-CD1 3.68Å
29	L	98.6	Very high	97.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-65.6	-33.7	178.4	-73.7	169.4	0	0	0	112.4	F25 H26 H31 R32 S33 L72 L76 I100 F102 P187 Y190	F25-L29 WeakPolarHBondContact O-CB 3.42Å; F25-L29 WeakPolarHBondContact O-CG 3.29Å; F25-L29 PolarHBondContact O-N 3.3Å; H26-L29 PolarHBondContact O-N 2.96Å; L29-H31 VanDerWaalsContact C-N 3.28Å; L29-H31 PolarHBondContact O-N 2.87Å; L29-R32 CarbonylContact O-C 3.58Å; L29-R32 PolarHBondContact O-N 2.82Å; L29-R32 VanDerWaalsContact O-N 3.09Å; L29-S33 VanDerWaalsContact O-CB 3.22Å; L29-S33 WeakPolarHBondContact O-CB 3.35Å; L29-S33 PolarHBondContact O-N 2.96Å; L29-S33 PolarHBondContact O-OG 2.73Å; L29-L72 HydrophobicContact CB-CD2 4.45Å; L29-L72 HydrophobicContact CD1-CD1 4.11Å; L29-L72 HydrophobicContact CD1-CD2 4.33Å; L29-L72 HydrophobicContact CD1-CG 4.28Å; L29-L76 HydrophobicContact CD1-CD1 4.3Å; L29-L76 HydrophobicContact CD1-CD2 4.04Å; L29-I100 HydrophobicContact CD2-CD1 3.93Å; L29-I100 HydrophobicContact CG-CD1 4.11Å; L29-F102 HydrophobicContact CD2-CE1 4.25Å; L29-F102 HydrophobicContact CD2-CZ 4.47Å; L29-P187 HydrophobicContact CD2-CB 4.46Å; L29-Y190 HydrophobicContact CD2-CD1 3.95Å; L29-Y190 HydrophobicContact CD2-CE1 3.78Å; L29-Y190 HydrophobicContact CD2-CE2 4.38Å; L29-Y190 HydrophobicContact CD2-CG 4.37Å
30	L	98.1	Very high	96.6	Very high	50 Å²	50	25.4 Å²	25.4	26%	0.262	12%	0.119	S	C	.	.	H	α-helix	trans	-57.8	-42.1	172.9	178.2	62.2	0	0	0	111.3	H26 T27 L28 R32 T52 V65 L67	H26-L30 WeakPolarHBondContact O-CB 3.35Å; H26-L30 PolarHBondContact O-N 2.94Å; T27-L30 WeakPolarHBondContact O-CB 3.46Å; T27-L30 PolarHBondContact O-N 3.5Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 2.71Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-T52 HydrophobicContact CD1-CG2 3.62Å; L30-V65 HydrophobicContact CD2-CG1 4.24Å; L30-L67 HydrophobicContact CD1-CD2 3.47Å; L30-L67 VanDerWaalsContact CD1-CD2 3.47Å; L30-L67 HydrophobicContact CD1-CG 3.91Å
31	H	97.3	Very high	95.8	Very high	57 Å²	57	35.3 Å²	35.3	26%	0.264	17%	0.165	S	C	.	.	H	α-helix	trans	-79.9	-9.9	176.8	-73.4	-66.5	0	0	0	114.7	T27 L28 L29 I159	T27-H31 PolarHBondContact O-CD2 3.41Å; T27-H31 PolarHBondContact O-N 2.97Å; L28-H31 PolarHBondContact O-N 2.84Å; L29-H31 VanDerWaalsContact C-N 3.28Å; L29-H31 PolarHBondContact O-N 2.87Å; H31-I159 HydrophobicContact CB-CD1 3.51Å; H31-I159 HydrophobicContact CB-CG1 4.09Å; H31-I159 HydrophobicContact CB-CG2 4.22Å
32	R	97.7	Very high	94.9	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.015	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	18.7	-175.1	-64	-59.5	-175.3	-105.7	-0.3	113.7	L28 L29 L30 F102 E120 I159 N160 P187 Y188	L28-R32 WeakPolarHBondContact O-CB 3.28Å; L28-R32 WeakPolarHBondContact O-CG 3.17Å; L28-R32 PolarHBondContact O-N 2.68Å; L28-R32 VanDerWaalsContact O-N 3.1Å; L29-R32 CarbonylContact O-C 3.58Å; L29-R32 PolarHBondContact O-N 2.82Å; L29-R32 VanDerWaalsContact O-N 3.09Å; L30-R32 VanDerWaalsContact C-N 3.32Å; R32-F102 HydrophobicContact CB-CD1 4.12Å; R32-F102 HydrophobicContact CB-CE1 3.44Å; R32-F102 VanDerWaalsContact CB-CE1 3.44Å; R32-F102 HydrophobicContact CB-CE2 4.37Å; R32-F102 HydrophobicContact CB-CZ 3.59Å; R32-F102 HydrophobicContact CG-CD1 4.34Å; R32-F102 HydrophobicContact CG-CD2 4.39Å; R32-F102 HydrophobicContact CG-CE1 3.84Å; R32-F102 HydrophobicContact CG-CE2 3.88Å; R32-F102 HydrophobicContact CG-CZ 3.58Å; R32-E120 IonicContact CZ-OE1 3.25Å; R32-E120 IonicContact CZ-OE2 3.02Å; R32-E120 VanDerWaalsContact CZ-OE2 3.27Å; R32-E120 IonicContact NE-OE1 2.81Å; R32-E120 IonicContact NE-OE2 3.69Å; R32-E120 PolarHBondContact NE-OE2 2.84Å; R32-E120 VanDerWaalsContact NH2-CD 3.29Å; R32-E120 IonicContact NH2-OE1 3.86Å; R32-E120 PolarHBondContact NH2-OE1 3.44Å; R32-E120 IonicContact NH2-OE2 3.95Å; R32-E120 PolarHBondContact NH2-OE2 3.49Å; R32-I159 VanDerWaalsContact CZ-CG1 3.44Å; R32-I159 PolarHBondContact NH2-O 2.86Å; R32-N160 PolarHBondContact NH1-OD1 3.5Å; R32-N160 VanDerWaalsContact NH1-OD1 3.15Å; R32-P187 WeakPolarHBondContact O-CA 3.47Å; R32-Y188 HydrophobicContact CB-CD2 4.18Å; R32-Y188 VanDerWaalsContact O-CD2 3.31Å; R32-Y188 WeakPolarHBondContact O-CD2 3.27Å; R32-Y188 PolarHBondContact O-N 3.13Å
33	S	98.2	Very high	94	Very high	14 Å²	14	46.5 Å²	46.5	10%	0.098	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.4	173.5	-53.4	0	0	0	0	112.5	L29 L50 L67 P187	L29-S33 VanDerWaalsContact O-CB 3.22Å; L29-S33 WeakPolarHBondContact O-CB 3.35Å; L29-S33 PolarHBondContact O-N 2.96Å; L29-S33 PolarHBondContact O-OG 2.73Å; S33-L50 WeakPolarHBondContact O-CD1 3.48Å; S33-L67 VanDerWaalsContact CB-CD1 3.49Å; S33-L67 WeakPolarHBondContact OG-CD1 3.31Å; S33-P187 WeakPolarHBondContact OG-CB 3.49Å
34	M	96.7	Very high	93.4	Very high	49 Å²	49	49 Å²	49	24%	0.241	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	162.7	172.8	-63.7	-162.4	156.5	0	0	109.6	F37 I47 M168 F178 Q186	M34-F37 HydrophobicContact CB-CE2 3.97Å; M34-F37 HydrophobicContact CB-CZ 4.49Å; M34-F37 HydrophobicContact SD-CE2 4.13Å; M34-F37 HydrophobicContact SD-CZ 3.7Å; M34-I47 HydrophobicContact CB-CG2 4.05Å; M34-I47 HydrophobicContact SD-CD1 3.82Å; M34-M168 HydrophobicContact CE-CE 3.36Å; M34-M168 HydrophobicContact SD-CE 3.58Å; M34-M168 VanDerWaalsContact SD-CE 3.58Å; M34-M168 HydrophobicContact SD-SD 4.28Å; M34-F178 HydrophobicContact CG-CE1 4.12Å; M34-F178 HydrophobicContact SD-CE1 4.02Å; M34-F178 HydrophobicContact SD-CZ 3.89Å; M34-Q186 PolarHBondContact N-O 3.41Å; M34-Q186 WeakPolarHBondContact O-CA 3.44Å; M34-Q186 WeakPolarHBondContact O-CB 3.39Å; M34-Q186 PolarHBondContact O-N 2.9Å
35	G	96.6	Very high	93.1	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.021	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-65.8	171.8	165.5	0	0	0	0	0	111.5	F37 I47 S48 Q186	G35-F37 PolarHBondContact O-N 2.95Å; G35-I47 WeakPolarHBondContact O-CG2 3.27Å; G35-S48 WeakPolarHBondContact CA-O 3.24Å; G35-S48 VanDerWaalsContact CA-OG 3.29Å; G35-S48 WeakPolarHBondContact CA-OG 3.37Å; G35-Q186 WeakPolarHBondContact O-CB 3.49Å
36	K	95	Very high	92.8	Very high	47 Å²	47	56.5 Å²	56.5	20%	0.204	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-63.1	132.2	176.8	-63.3	-61.3	-64.2	-179.2	0	110.4	S48 F182 S183 V185	K36-S48 PolarHBondContact N-OG 2.8Å; K36-S48 PolarHBondContact O-N 3.37Å; K36-F182 PolarHBondContact NZ-O 2.61Å; K36-S183 WeakPolarHBondContact CD-O 3.31Å; K36-S183 WeakPolarHBondContact CG-O 3.28Å; K36-V185 WeakPolarHBondContact CD-O 3.27Å
37	F	93.8	Very high	92.6	Very high	20 Å²	20	59.3 Å²	59.3	9%	0.088	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.6	174.2	-71.4	-113.4	0	0	0	109.1	M34 G35 Y39 F45 I47 M168 L174 F178 Q186	M34-F37 HydrophobicContact CB-CE2 3.97Å; M34-F37 HydrophobicContact CB-CZ 4.49Å; M34-F37 HydrophobicContact SD-CE2 4.13Å; M34-F37 HydrophobicContact SD-CZ 3.7Å; G35-F37 PolarHBondContact O-N 2.95Å; F37-Y39 HydrophobicContact CB-CD2 4.16Å; F37-Y39 HydrophobicContact CB-CE2 3.6Å; F37-Y39 HydrophobicContact CD1-CE2 4.22Å; F37-Y39 HydrophobicContact CG-CE2 4.28Å; F37-F45 AromaticContact CD1-CD2 3.67Å; F37-F45 HydrophobicContact CD1-CD2 3.67Å; F37-F45 AromaticContact CD1-CE2 3.95Å; F37-F45 HydrophobicContact CD1-CE2 3.95Å; F37-F45 HydrophobicContact CD1-CG 4.3Å; F37-F45 AromaticContact CE1-CD2 3.98Å; F37-F45 HydrophobicContact CE1-CD2 3.98Å; F37-F45 AromaticContact CE1-CE2 3.75Å; F37-F45 HydrophobicContact CE1-CE2 3.75Å; F37-F45 HydrophobicContact CE1-CZ 4.4Å; F37-I47 HydrophobicContact CD1-CD1 4.47Å; F37-I47 HydrophobicContact CD1-CG1 4.03Å; F37-I47 HydrophobicContact CE1-CD1 3.82Å; F37-I47 HydrophobicContact CE1-CG1 3.89Å; F37-I47 HydrophobicContact CE2-CD1 4.46Å; F37-I47 HydrophobicContact CE2-CG1 4.47Å; F37-I47 HydrophobicContact CG-CG1 4.38Å; F37-I47 HydrophobicContact CZ-CD1 3.82Å; F37-I47 HydrophobicContact CZ-CG1 4.13Å; F37-M168 HydrophobicContact CE1-SD 3.92Å; F37-M168 HydrophobicContact CZ-SD 3.91Å; F37-L174 HydrophobicContact CB-CD2 4.43Å; F37-L174 HydrophobicContact CD1-CD1 4.28Å; F37-L174 HydrophobicContact CD2-CD1 4.04Å; F37-L174 HydrophobicContact CE2-CD1 4.27Å; F37-L174 HydrophobicContact CG-CD1 4.03Å; F37-F178 HydrophobicContact CE2-CD2 4.36Å; F37-F178 HydrophobicContact CE2-CE1 4.43Å; F37-F178 HydrophobicContact CE2-CE2 4.21Å; F37-F178 HydrophobicContact CE2-CZ 4.25Å; F37-F178 HydrophobicContact CZ-CD2 4.34Å; F37-F178 HydrophobicContact CZ-CE1 4.46Å; F37-F178 AromaticContact CZ-CE2 3.79Å; F37-F178 HydrophobicContact CZ-CE2 3.79Å; F37-F178 AromaticContact CZ-CZ 3.88Å; F37-F178 HydrophobicContact CZ-CZ 3.88Å; F37-Q186 HydrophobicContact CD2-CB 4.27Å; F37-Q186 HydrophobicContact CD2-CG 3.74Å; F37-Q186 HydrophobicContact CE2-CB 4.33Å; F37-Q186 HydrophobicContact CE2-CG 3.83Å
38	Q	91.8	Very high	92.4	Very high	104 Å²	104	60.9 Å²	60.9	49%	0.486	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	109.1	171.7	-66.7	-173.4	16.9	0	0	107.6	F45 H46	Q38-F45 CarbonylContact O-C 3.48Å; Q38-F45 VanDerWaalsContact O-CA 3.23Å; Q38-F45 WeakPolarHBondContact O-CA 3.14Å; Q38-H46 WeakPolarHBondContact CB-CE1 3.48Å; Q38-H46 VanDerWaalsContact CB-NE2 3.28Å; Q38-H46 WeakPolarHBondContact CB-NE2 3.35Å; Q38-H46 PolarHBondContact N-O 3.15Å; Q38-H46 PolarHBondContact O-N 2.74Å; Q38-H46 PolarHBondContact O-ND1 3.17Å; Q38-H46 PolarHBondContact OE1-CE1 3.43Å; Q38-H46 PolarHBondContact OE1-NE2 2.92Å
39	Y	89.5	Confident	92.2	Very high	44 Å²	44	67.1 Å²	67.1	17%	0.173	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.4	-179.4	-69.5	-93.8	0	0	0	110.2	F37 F45 P169 Q171 L174	F37-Y39 HydrophobicContact CB-CD2 4.16Å; F37-Y39 HydrophobicContact CB-CE2 3.6Å; F37-Y39 HydrophobicContact CD1-CE2 4.22Å; F37-Y39 HydrophobicContact CG-CE2 4.28Å; Y39-F45 HydrophobicContact CD1-CB 3.66Å; Y39-F45 HydrophobicContact CD1-CD1 4.43Å; Y39-F45 HydrophobicContact CD1-CG 4.37Å; Y39-F45 HydrophobicContact CE1-CB 3.88Å; Y39-F45 HydrophobicContact CE1-CD1 4.02Å; Y39-F45 HydrophobicContact CE1-CG 4.12Å; Y39-F45 HydrophobicContact CG-CB 4.07Å; Y39-P169 PolarHBondContact OH-O 3Å; Y39-Q171 HydrophobicContact CD1-CB 3.73Å; Y39-Q171 HydrophobicContact CD1-CG 4.42Å; Y39-Q171 HydrophobicContact CD2-CB 3.76Å; Y39-Q171 HydrophobicContact CD2-CG 3.59Å; Y39-Q171 HydrophobicContact CE1-CB 3.94Å; Y39-Q171 HydrophobicContact CE2-CB 3.96Å; Y39-Q171 HydrophobicContact CE2-CG 4Å; Y39-Q171 HydrophobicContact CG-CB 3.64Å; Y39-Q171 HydrophobicContact CG-CG 3.82Å; Y39-L174 HydrophobicContact CE2-CD1 4.49Å; Y39-L174 HydrophobicContact CE2-CD2 4.25Å
40	K	87.9	Confident	92	Very high	121 Å²	121	69.9 Å²	69.9	53%	0.526	36%	0.364	S	S	.	.			trans	-103.6	157.7	173.9	-61.7	-179.9	-179.7	177.9	0	109.6	E42 G43 S44	K40-E42 PolarHBondContact O-N 2.86Å; K40-E42 VanDerWaalsContact O-N 3.1Å; K40-G43 PolarHBondContact O-N 2.95Å; K40-G43 VanDerWaalsContact O-N 3.07Å; K40-S44 PolarHBondContact N-O 2.79Å
41	E	81.2	Confident	92	Very high	208 Å²	208	69.3 Å²	69.3	97%	0.972	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.1	-177.9	-65.9	-175.2	172.5	0	0	113.5	G43	E41-G43 PolarHBondContact O-N 2.7Å
42	E	79.6	Confident	92	Very high	177 Å²	177	70.5 Å²	70.5	83%	0.827	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	6.4	180	-59.8	177.6	177	0	0	114	K40 S44	K40-E42 PolarHBondContact O-N 2.86Å; K40-E42 VanDerWaalsContact O-N 3.1Å; E42-S44 PolarHBondContact O-N 2.75Å
43	G	79.2	Confident	92	Very high	63 Å²	63	73.6 Å²	73.6	65%	0.649	40%	0.396	S	S	*	.	S	Bend	trans	79.5	-0.3	-178.3	0	0	0	0	0	114.5	K40 E41	K40-G43 PolarHBondContact O-N 2.95Å; K40-G43 VanDerWaalsContact O-N 3.07Å; E41-G43 PolarHBondContact O-N 2.7Å
44	S	87.5	Confident	92	Very high	51 Å²	51	78.8 Å²	78.8	36%	0.357	42%	0.423	S	S	.	.			trans	-78.7	155.7	168.1	61.8	0	0	0	0	111	K40 E42	K40-S44 PolarHBondContact N-O 2.79Å; E42-S44 PolarHBondContact O-N 2.75Å
45	F	91.1	Very high	92.1	Very high	81 Å²	81	77.9 Å²	77.9	36%	0.355	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.6	174	64.2	-90.3	0	0	0	110.5	F37 Q38 Y39 I47 M168	F37-F45 AromaticContact CD1-CD2 3.67Å; F37-F45 HydrophobicContact CD1-CD2 3.67Å; F37-F45 AromaticContact CD1-CE2 3.95Å; F37-F45 HydrophobicContact CD1-CE2 3.95Å; F37-F45 HydrophobicContact CD1-CG 4.3Å; F37-F45 AromaticContact CE1-CD2 3.98Å; F37-F45 HydrophobicContact CE1-CD2 3.98Å; F37-F45 AromaticContact CE1-CE2 3.75Å; F37-F45 HydrophobicContact CE1-CE2 3.75Å; F37-F45 HydrophobicContact CE1-CZ 4.4Å; Q38-F45 CarbonylContact O-C 3.48Å; Q38-F45 VanDerWaalsContact O-CA 3.23Å; Q38-F45 WeakPolarHBondContact O-CA 3.14Å; Y39-F45 HydrophobicContact CD1-CB 3.66Å; Y39-F45 HydrophobicContact CD1-CD1 4.43Å; Y39-F45 HydrophobicContact CD1-CG 4.37Å; Y39-F45 HydrophobicContact CE1-CB 3.88Å; Y39-F45 HydrophobicContact CE1-CD1 4.02Å; Y39-F45 HydrophobicContact CE1-CG 4.12Å; Y39-F45 HydrophobicContact CG-CB 4.07Å; F45-I47 HydrophobicContact CD2-CD1 4.49Å; F45-I47 HydrophobicContact CD2-CG1 3.95Å; F45-I47 HydrophobicContact CE2-CD1 3.9Å; F45-I47 HydrophobicContact CE2-CG1 3.87Å; F45-M168 HydrophobicContact CZ-CB 4.38Å; F45-M168 HydrophobicContact CZ-CG 4.39Å
46	H	93.2	Very high	92.2	Very high	77 Å²	77	83.4 Å²	83.4	36%	0.356	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.2	165.1	63.7	-88.9	0	0	0	110.3	Q38	Q38-H46 WeakPolarHBondContact CB-CE1 3.48Å; Q38-H46 VanDerWaalsContact CB-NE2 3.28Å; Q38-H46 WeakPolarHBondContact CB-NE2 3.35Å; Q38-H46 PolarHBondContact N-O 3.15Å; Q38-H46 PolarHBondContact O-N 2.74Å; Q38-H46 PolarHBondContact O-ND1 3.17Å; Q38-H46 PolarHBondContact OE1-CE1 3.43Å; Q38-H46 PolarHBondContact OE1-NE2 2.92Å
47	I	94.1	Very high	92.4	Very high	67 Å²	67	81.7 Å²	81.7	34%	0.344	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.5	178.5	-58.8	176.6	0	0	0	106.6	M34 G35 F37 F45	M34-I47 HydrophobicContact CB-CG2 4.05Å; M34-I47 HydrophobicContact SD-CD1 3.82Å; G35-I47 WeakPolarHBondContact O-CG2 3.27Å; F37-I47 HydrophobicContact CD1-CD1 4.47Å; F37-I47 HydrophobicContact CD1-CG1 4.03Å; F37-I47 HydrophobicContact CE1-CD1 3.82Å; F37-I47 HydrophobicContact CE1-CG1 3.89Å; F37-I47 HydrophobicContact CE2-CD1 4.46Å; F37-I47 HydrophobicContact CE2-CG1 4.47Å; F37-I47 HydrophobicContact CG-CG1 4.38Å; F37-I47 HydrophobicContact CZ-CD1 3.82Å; F37-I47 HydrophobicContact CZ-CG1 4.13Å; F45-I47 HydrophobicContact CD2-CD1 4.49Å; F45-I47 HydrophobicContact CD2-CG1 3.95Å; F45-I47 HydrophobicContact CE2-CD1 3.9Å; F45-I47 HydrophobicContact CE2-CG1 3.87Å
48	S	94	Very high	92.6	Very high	41 Å²	41	86.5 Å²	86.5	29%	0.287	47%	0.47	S	S	.	.			trans	-64.8	166	176	74.7	0	0	0	0	111.7	G35 K36	G35-S48 WeakPolarHBondContact CA-O 3.24Å; G35-S48 VanDerWaalsContact CA-OG 3.29Å; G35-S48 WeakPolarHBondContact CA-OG 3.37Å; K36-S48 PolarHBondContact N-OG 2.8Å; K36-S48 PolarHBondContact O-N 3.37Å
49	T	94.8	Very high	92.9	Very high	132 Å²	132	85.3 Å²	85.3	81%	0.81	46%	0.463	S	S	*	.			trans	-76.1	155.6	172.7	65	0	0	0	0	110.4
50	L	95.3	Very high	93.3	Very high	58 Å²	58	83.3 Å²	83.3	30%	0.304	46%	0.455	S	S	.	.			trans	-106.7	135.9	169.6	-70.1	173.2	0	0	0	109.2	S33 L67 V185	S33-L50 WeakPolarHBondContact O-CD1 3.48Å; L50-L67 HydrophobicContact CB-CD2 3.95Å; L50-L67 HydrophobicContact CD1-CD2 3.8Å; L50-L67 HydrophobicContact CD2-CD2 4.39Å; L50-L67 HydrophobicContact CG-CD2 4.28Å; L50-V185 HydrophobicContact CD2-CB 4.21Å; L50-V185 HydrophobicContact CD2-CG2 3.82Å
51	G	96.9	Very high	93.8	Very high	39 Å²	39	82.5 Å²	82.5	40%	0.402	46%	0.457	S	S	.	.			trans	-84.4	154.7	167.1	0	0	0	0	0	110.8	L67 S68	G51-L67 WeakPolarHBondContact O-CA 3.27Å; G51-S68 VanDerWaalsContact C-OG 3.28Å; G51-S68 PolarHBondContact O-N 2.88Å
52	T	98.2	Very high	94.6	Very high	81 Å²	81	74 Å²	74	50%	0.497	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.5	170.5	57.2	0	0	0	0	110.1	L30 V65 R66 S68	L30-T52 HydrophobicContact CD1-CG2 3.62Å; T52-V65 HydrophobicContact CG2-CG1 4.16Å; T52-R66 CarbonylContact C-O 3.59Å; T52-R66 WeakPolarHBondContact CA-O 3.46Å; T52-R66 WeakPolarHBondContact CB-O 3.36Å; T52-S68 WeakPolarHBondContact CA-OG 3.1Å; T52-S68 PolarHBondContact N-OG 3.14Å; T52-S68 PolarHBondContact O-OG 2.93Å
53	E	98.1	Very high	95.5	Very high	69 Å²	69	69 Å²	69	32%	0.322	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.5	175.9	62.7	-174.8	-173.5	0	0	110.9	V65 R66	E53-V65 WeakPolarHBondContact O-CA 3.38Å; E53-R66 HydrophobicContact CG-CG 3.84Å; E53-R66 PolarHBondContact N-O 2.85Å; E53-R66 PolarHBondContact O-N 2.84Å; E53-R66 IonicContact OE1-CZ 2.7Å; E53-R66 IonicContact OE1-NE 3.68Å; E53-R66 PolarHBondContact OE1-NE 2.88Å; E53-R66 IonicContact OE1-NH2 2.95Å; E53-R66 PolarHBondContact OE1-NH2 2.89Å
54	D	98.5	Very high	96.4	Very high	123 Å²	123	67 Å²	67	66%	0.658	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	138	175.8	-62.3	-25.4	0	0	0	109.3	T63	D54-T63 HydrophobicContact CB-CG2 3.82Å
55	V	98.4	Very high	96.9	Very high	31 Å²	31	67.1 Å²	67.1	19%	0.188	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	111.4	178.1	-176.9	0	0	0	0	109	T63 Y64 R66	V55-T63 WeakPolarHBondContact O-CA 3.39Å; V55-Y64 HydrophobicContact CB-CD1 4.21Å; V55-Y64 HydrophobicContact CB-CD2 4.42Å; V55-Y64 HydrophobicContact CB-CE1 3.78Å; V55-Y64 HydrophobicContact CB-CE2 4.01Å; V55-Y64 HydrophobicContact CG1-CD1 4.49Å; V55-Y64 HydrophobicContact CG1-CE1 3.67Å; V55-Y64 HydrophobicContact CG1-CE2 4.46Å; V55-Y64 HydrophobicContact CG2-CE2 4.15Å; V55-Y64 PolarHBondContact N-O 3.03Å; V55-Y64 PolarHBondContact O-N 2.64Å; V55-R66 HydrophobicContact CG2-CG 3.71Å
56	D	98.5	Very high	97.2	Very high	117 Å²	117	65.4 Å²	65.4	63%	0.626	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.6	173.8	-66.5	-36.1	0	0	0	110	T63	D56-T63 WeakPolarHBondContact OD1-CB 3.45Å; D56-T63 WeakPolarHBondContact OD1-CG2 3.43Å; D56-T63 PolarHBondContact OD1-OG1 3.02Å
57	C	98.5	Very high	97.5	Very high	12 Å²	12	62 Å²	62	8%	0.081	35%	0.346	C	S	.	.			trans	-84.2	139.2	173.8	-59.4	0	0	0	0	110.8	E19 I60 L62	E19-C57 HydrophobicContact CB-CB 4.42Å; E19-C57 HydrophobicContact CG-CB 4.49Å; E19-C57 WeakPolarHBondContact OE1-CA 3.47Å; C57-I60 HydrophobicContact CB-CB 3.84Å; C57-I60 WeakPolarHBondContact CB-O 3.3Å; C57-L62 VanDerWaalsContact CB-O 3.27Å; C57-L62 WeakPolarHBondContact CB-O 3.45Å; C57-L62 PolarHBondContact N-O 2.64Å; C57-L62 VanDerWaalsContact N-O 3.09Å; C57-L62 PolarHBondContact SG-O 3.02Å
58	D	98	Very high	97.7	Very high	120 Å²	120	61.5 Å²	61.5	64%	0.642	35%	0.349	S	S	*	.	S	Bend	trans	-77.5	-39.5	176	-70.9	-37.1	0	0	0	111.9	E19 R141	E19-D58 WeakPolarHBondContact OE1-CA 3.5Å; E19-D58 WeakPolarHBondContact OE1-CB 3.36Å; E19-D58 PolarHBondContact OE1-N 3.34Å; D58-R141 PolarHBondContact O-NH1 2.88Å
59	F	97.8	Very high	97.9	Very high	80 Å²	80	59.7 Å²	59.7	35%	0.351	34%	0.336	S	S	.	.	S	Bend	trans	-110.3	-5.3	-172.2	-54.6	-70	0	0	0	114.6	R15 Q16 E19 R141	R15-F59 HydrophobicContact CB-CD1 4.26Å; R15-F59 HydrophobicContact CB-CD2 4.22Å; R15-F59 HydrophobicContact CB-CE1 4.45Å; R15-F59 HydrophobicContact CB-CE2 4.41Å; R15-F59 HydrophobicContact CB-CG 4.13Å; R15-F59 VanDerWaalsContact CD-CD1 3.46Å; R15-F59 HydrophobicContact CG-CB 4.08Å; R15-F59 HydrophobicContact CG-CD1 3.86Å; R15-F59 HydrophobicContact CG-CD2 4.44Å; R15-F59 HydrophobicContact CG-CE1 4.41Å; R15-F59 HydrophobicContact CG-CG 3.86Å; R15-F59 VanDerWaalsContact O-CD2 3.28Å; R15-F59 WeakPolarHBondContact O-CD2 3.34Å; Q16-F59 HydrophobicContact CG-CB 3.91Å; Q16-F59 PolarHBondContact NE2-O 3.07Å; E19-F59 PolarHBondContact OE1-N 3.07Å; E19-F59 WeakPolarHBondContact OE2-CA 3.32Å; E19-F59 WeakPolarHBondContact OE2-CB 3.49Å; E19-F59 PolarHBondContact OE2-N 3.11Å; F59-R141 WeakPolarHBondContact O-CG 3.37Å
60	I	98.4	Very high	98	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	33%	0.326	C	S	.	.	S	Bend	trans	-121.5	140.3	178.2	-56.9	174.4	0	0	0	108.4	Q16 E19 A20 C57 L62 V144 L148	Q16-I60 HydrophobicContact CB-CD1 4.13Å; Q16-I60 HydrophobicContact CB-CG1 4.02Å; Q16-I60 HydrophobicContact CG-CG1 3.89Å; E19-I60 HydrophobicContact CB-CD1 3.63Å; E19-I60 HydrophobicContact CB-CG1 4.34Å; E19-I60 PolarHBondContact OE2-N 3.32Å; A20-I60 HydrophobicContact CB-CD1 3.98Å; C57-I60 HydrophobicContact CB-CB 3.84Å; C57-I60 WeakPolarHBondContact CB-O 3.3Å; I60-L62 HydrophobicContact CG2-CB 3.74Å; I60-L62 PolarHBondContact O-N 2.75Å; I60-V144 HydrophobicContact CD1-CG1 3.75Å; I60-V144 HydrophobicContact CG1-CG1 3.99Å; I60-V144 HydrophobicContact CG2-CB 4.44Å; I60-V144 HydrophobicContact CG2-CG1 4.07Å; I60-L148 HydrophobicContact CD1-CD1 3.73Å; I60-L148 HydrophobicContact CG2-CD1 4.15Å
61	N	97.8	Very high	98.1	Very high	104 Å²	104	60.8 Å²	60.8	56%	0.556	33%	0.331	S	S	*	.	S	Bend	trans	-79.2	68.1	172.5	-170	28.6	0	0	0	110.7	R141	N61-R141 HydrophobicContact CB-CG 4.08Å; N61-R141 PolarHBondContact N-O 2.85Å; N61-R141 VanDerWaalsContact N-O 3.12Å
62	L	98.2	Very high	98.2	Very high	30 Å²	30	59 Å²	59	16%	0.157	31%	0.312	C	S	.	.			trans	-154.4	143.1	-176.8	-174.6	69	0	0	0	110.9	C57 I60 L148	C57-L62 VanDerWaalsContact CB-O 3.27Å; C57-L62 WeakPolarHBondContact CB-O 3.45Å; C57-L62 PolarHBondContact N-O 2.64Å; C57-L62 VanDerWaalsContact N-O 3.09Å; C57-L62 PolarHBondContact SG-O 3.02Å; I60-L62 HydrophobicContact CG2-CB 3.74Å; I60-L62 PolarHBondContact O-N 2.75Å; L62-L148 HydrophobicContact CD2-CB 3.63Å; L62-L148 HydrophobicContact CD2-CD1 3.97Å; L62-L148 HydrophobicContact CD2-CG 4.48Å
63	T	98.5	Very high	98.2	Very high	72 Å²	72	55.4 Å²	55.4	44%	0.442	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.7	164.4	-54.7	0	0	0	0	107.3	D54 V55 D56	D54-T63 HydrophobicContact CB-CG2 3.82Å; V55-T63 WeakPolarHBondContact O-CA 3.39Å; D56-T63 WeakPolarHBondContact OD1-CB 3.45Å; D56-T63 WeakPolarHBondContact OD1-CG2 3.43Å; D56-T63 PolarHBondContact OD1-OG1 3.02Å
64	Y	98.3	Very high	98.2	Very high	20 Å²	20	56 Å²	56	8%	0.078	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	161.3	177.6	71.8	-90.3	0	0	0	111.1	C23 H26 V55 R66	C23-Y64 HydrophobicContact CB-CD1 3.88Å; C23-Y64 HydrophobicContact CB-CE1 4.39Å; C23-Y64 HydrophobicContact CB-CG 3.94Å; H26-Y64 HydrophobicContact CB-CD2 4.26Å; H26-Y64 HydrophobicContact CB-CE2 3.91Å; H26-Y64 AromaticContact CD2-CE2 3.62Å; V55-Y64 HydrophobicContact CB-CD1 4.21Å; V55-Y64 HydrophobicContact CB-CD2 4.42Å; V55-Y64 HydrophobicContact CB-CE1 3.78Å; V55-Y64 HydrophobicContact CB-CE2 4.01Å; V55-Y64 HydrophobicContact CG1-CD1 4.49Å; V55-Y64 HydrophobicContact CG1-CE1 3.67Å; V55-Y64 HydrophobicContact CG1-CE2 4.46Å; V55-Y64 HydrophobicContact CG2-CE2 4.15Å; V55-Y64 PolarHBondContact N-O 3.03Å; V55-Y64 PolarHBondContact O-N 2.64Å; Y64-R66 HydrophobicContact CE2-CB 4.21Å
65	V	98.3	Very high	98.2	Very high	54 Å²	54	51 Å²	51	33%	0.327	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.3	-179.9	-177.3	0	0	0	0	109.5	L30 T52 E53	L30-V65 HydrophobicContact CD2-CG1 4.24Å; T52-V65 HydrophobicContact CG2-CG1 4.16Å; E53-V65 WeakPolarHBondContact O-CA 3.38Å
66	R	98.3	Very high	98.2	Very high	46 Å²	46	49.6 Å²	49.6	17%	0.174	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	169.5	168.9	70.2	177.5	-173.5	178.7	11.1	111.8	H26 T52 E53 V55 Y64 E70	H26-R66 HydrophobicContact CB-CB 3.72Å; T52-R66 CarbonylContact C-O 3.59Å; T52-R66 WeakPolarHBondContact CA-O 3.46Å; T52-R66 WeakPolarHBondContact CB-O 3.36Å; E53-R66 HydrophobicContact CG-CG 3.84Å; E53-R66 PolarHBondContact N-O 2.85Å; E53-R66 PolarHBondContact O-N 2.84Å; E53-R66 IonicContact OE1-CZ 2.7Å; E53-R66 IonicContact OE1-NE 3.68Å; E53-R66 PolarHBondContact OE1-NE 2.88Å; E53-R66 IonicContact OE1-NH2 2.95Å; E53-R66 PolarHBondContact OE1-NH2 2.89Å; V55-R66 HydrophobicContact CG2-CG 3.71Å; Y64-R66 HydrophobicContact CE2-CB 4.21Å; R66-E70 IonicContact NH2-OE2 2.85Å; R66-E70 PolarHBondContact NH2-OE2 2.83Å
67	L	98.4	Very high	98.2	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	138.5	169.1	-67.5	165.7	0	0	0	109.7	L30 S33 L50 G51 S69 L72 V185	L30-L67 HydrophobicContact CD1-CD2 3.47Å; L30-L67 VanDerWaalsContact CD1-CD2 3.47Å; L30-L67 HydrophobicContact CD1-CG 3.91Å; S33-L67 VanDerWaalsContact CB-CD1 3.49Å; S33-L67 WeakPolarHBondContact OG-CD1 3.31Å; L50-L67 HydrophobicContact CB-CD2 3.95Å; L50-L67 HydrophobicContact CD1-CD2 3.8Å; L50-L67 HydrophobicContact CD2-CD2 4.39Å; L50-L67 HydrophobicContact CG-CD2 4.28Å; G51-L67 WeakPolarHBondContact O-CA 3.27Å; L67-S69 PolarHBondContact O-N 2.76Å; L67-L72 HydrophobicContact CD1-CD2 3.73Å; L67-V185 HydrophobicContact CD1-CG2 4.02Å
68	S	97.8	Very high	98.1	Very high	57 Å²	57	53.2 Å²	53.2	40%	0.399	27%	0.271	S	S	.	.	S	Bend	trans	-74.3	61.5	173.5	-53.7	0	0	0	0	111	G51 T52	G51-S68 VanDerWaalsContact C-OG 3.28Å; G51-S68 PolarHBondContact O-N 2.88Å; T52-S68 WeakPolarHBondContact CA-OG 3.1Å; T52-S68 PolarHBondContact N-OG 3.14Å; T52-S68 PolarHBondContact O-OG 2.93Å
69	S	98	Very high	98.1	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.021	25%	0.251	C	S	.	.			trans	-133.7	106	177.2	173	0	0	0	0	109.8	L67 E71 L72 A73 D184 V185	L67-S69 PolarHBondContact O-N 2.76Å; S69-E71 VanDerWaalsContact C-N 3.31Å; S69-E71 PolarHBondContact O-N 3.18Å; S69-L72 PolarHBondContact O-N 2.66Å; S69-L72 WeakPolarHBondContact OG-CB 3.22Å; S69-L72 PolarHBondContact OG-N 2.92Å; S69-A73 WeakPolarHBondContact O-CB 3.47Å; S69-A73 PolarHBondContact O-N 2.93Å; S69-D184 WeakPolarHBondContact CA-OD2 3.46Å; S69-D184 WeakPolarHBondContact CB-OD2 3.4Å; S69-D184 PolarHBondContact OG-OD1 3.37Å; S69-D184 PolarHBondContact OG-OD2 3.39Å; S69-V185 WeakPolarHBondContact OG-CG1 3.5Å
70	E	97.8	Very high	98.1	Very high	127 Å²	127	45.8 Å²	45.8	59%	0.593	23%	0.234	S	C	*	.	H	α-helix	trans	-69.8	-32	-178.8	-164.5	64	-171.7	0	0	111.4	R66 A73 C74	R66-E70 IonicContact NH2-OE2 2.85Å; R66-E70 PolarHBondContact NH2-OE2 2.83Å; E70-A73 PolarHBondContact O-N 2.96Å; E70-C74 WeakPolarHBondContact O-CB 3.37Å; E70-C74 PolarHBondContact O-N 3.01Å
71	E	97.9	Very high	98	Very high	85 Å²	85	48.1 Å²	48.1	40%	0.397	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-45.4	174.9	-65.5	-177.7	-168.9	0	0	111.1	S69 M75 F182 S183	S69-E71 VanDerWaalsContact C-N 3.31Å; S69-E71 PolarHBondContact O-N 3.18Å; E71-M75 WeakPolarHBondContact O-CB 3.38Å; E71-M75 PolarHBondContact O-N 3.5Å; E71-F182 HydrophobicContact CB-CD1 3.8Å; E71-F182 HydrophobicContact CB-CE1 4.42Å; E71-F182 VanDerWaalsContact OE2-CA 3.3Å; E71-F182 WeakPolarHBondContact OE2-CA 3.36Å; E71-S183 WeakPolarHBondContact OE1-CB 3.4Å; E71-S183 PolarHBondContact OE1-OG 2.96Å; E71-S183 PolarHBondContact OE2-N 2.93Å
72	L	98.2	Very high	97.9	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-43.5	177.7	-177.4	62.7	0	0	0	111.5	L29 L67 S69 M75 L76 F182 V185 P187 Y190	L29-L72 HydrophobicContact CB-CD2 4.45Å; L29-L72 HydrophobicContact CD1-CD1 4.11Å; L29-L72 HydrophobicContact CD1-CD2 4.33Å; L29-L72 HydrophobicContact CD1-CG 4.28Å; L67-L72 HydrophobicContact CD1-CD2 3.73Å; S69-L72 PolarHBondContact O-N 2.66Å; S69-L72 WeakPolarHBondContact OG-CB 3.22Å; S69-L72 PolarHBondContact OG-N 2.92Å; L72-M75 PolarHBondContact O-N 2.85Å; L72-L76 WeakPolarHBondContact O-CB 3.22Å; L72-L76 PolarHBondContact O-N 3.44Å; L72-F182 HydrophobicContact CB-CD1 4.39Å; L72-F182 HydrophobicContact CB-CE1 4.24Å; L72-F182 HydrophobicContact CD1-CE1 4.08Å; L72-F182 HydrophobicContact CD1-CE2 4.05Å; L72-F182 HydrophobicContact CD1-CZ 3.7Å; L72-V185 HydrophobicContact CB-CG1 4.03Å; L72-V185 HydrophobicContact CD2-CG1 4.13Å; L72-V185 HydrophobicContact CD2-CG2 4.33Å; L72-P187 HydrophobicContact CD1-CG 4.4Å; L72-Y190 HydrophobicContact CD1-CE1 4.49Å; L72-Y190 WeakPolarHBondContact CD1-OH 3.42Å
73	A	98.4	Very high	97.7	Very high	6 Å²	6	46.1 Å²	46.1	5%	0.05	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-46.3	177.2	0	0	0	0	0	112.1	S69 E70 M75 L76 Q77	S69-A73 WeakPolarHBondContact O-CB 3.47Å; S69-A73 PolarHBondContact O-N 2.93Å; E70-A73 PolarHBondContact O-N 2.96Å; A73-M75 VanDerWaalsContact C-N 3.34Å; A73-M75 PolarHBondContact O-N 2.91Å; A73-L76 PolarHBondContact O-N 3.1Å; A73-Q77 WeakPolarHBondContact O-CB 3.33Å; A73-Q77 PolarHBondContact O-N 3.46Å
74	C	98.2	Very high	97.5	Very high	82 Å²	82	43 Å²	43	55%	0.554	22%	0.215	S	C	*	.	H	α-helix	trans	-63	-40.4	177.4	-175.7	0	0	0	0	112.1	E70 R78	E70-C74 WeakPolarHBondContact O-CB 3.37Å; E70-C74 PolarHBondContact O-N 3.01Å; C74-R78 PolarHBondContact O-N 2.82Å
75	M	97.8	Very high	97.2	Very high	18 Å²	18	45.8 Å²	45.8	9%	0.089	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-50.8	176	-164.1	-59.4	-65.7	0	0	110.6	E71 L72 A73 Q77 R78 E79 F182 Y190	E71-M75 WeakPolarHBondContact O-CB 3.38Å; E71-M75 PolarHBondContact O-N 3.5Å; L72-M75 PolarHBondContact O-N 2.85Å; A73-M75 VanDerWaalsContact C-N 3.34Å; A73-M75 PolarHBondContact O-N 2.91Å; M75-Q77 VanDerWaalsContact C-N 3.34Å; M75-Q77 PolarHBondContact O-N 3.19Å; M75-R78 WeakPolarHBondContact O-CB 3.25Å; M75-R78 PolarHBondContact O-N 2.96Å; M75-E79 PolarHBondContact O-N 3.46Å; M75-E79 HydrophobicContact SD-CG 3.82Å; M75-F182 HydrophobicContact CB-CE1 4.15Å; M75-F182 HydrophobicContact CB-CZ 4.36Å; M75-F182 HydrophobicContact CG-CE1 4.44Å; M75-F182 HydrophobicContact CG-CZ 4.28Å; M75-Y190 HydrophobicContact CE-CE2 3.36Å; M75-Y190 VanDerWaalsContact CE-CZ 3.48Å; M75-Y190 WeakPolarHBondContact CE-OH 3.29Å
76	L	98.2	Very high	96.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-46.8	178.8	-174.6	62	0	0	0	111.7	F25 L29 L72 A73 R78 E79 I80 I192	F25-L76 HydrophobicContact CB-CD1 3.93Å; F25-L76 HydrophobicContact CB-CD2 3.87Å; F25-L76 HydrophobicContact CB-CG 4.44Å; F25-L76 HydrophobicContact CD2-CD1 3.84Å; F25-L76 HydrophobicContact CG-CD1 4.41Å; L29-L76 HydrophobicContact CD1-CD1 4.3Å; L29-L76 HydrophobicContact CD1-CD2 4.04Å; L72-L76 WeakPolarHBondContact O-CB 3.22Å; L72-L76 PolarHBondContact O-N 3.44Å; A73-L76 PolarHBondContact O-N 3.1Å; L76-R78 VanDerWaalsContact C-N 3.26Å; L76-R78 PolarHBondContact O-N 3.12Å; L76-E79 PolarHBondContact O-N 3.33Å; L76-E79 VanDerWaalsContact O-N 3.11Å; L76-I80 HydrophobicContact CD1-CD1 4.39Å; L76-I80 HydrophobicContact CD2-CD1 4.42Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 WeakPolarHBondContact O-CG1 3.46Å; L76-I80 PolarHBondContact O-N 3.13Å; L76-I192 HydrophobicContact CD1-CD1 3.4Å; L76-I192 VanDerWaalsContact CD1-CD1 3.4Å
77	Q	98.3	Very high	96.5	Very high	59 Å²	59	44.4 Å²	44.4	28%	0.276	23%	0.225	S	C	.	.	H	α-helix	trans	-55	-42.7	177.8	-179	61.5	22.2	0	0	111.9	E18 A73 M75 E79 I80 V81	E18-Q77 PolarHBondContact OE1-NE2 3.37Å; A73-Q77 WeakPolarHBondContact O-CB 3.33Å; A73-Q77 PolarHBondContact O-N 3.46Å; M75-Q77 VanDerWaalsContact C-N 3.34Å; M75-Q77 PolarHBondContact O-N 3.19Å; Q77-E79 PolarHBondContact O-N 2.83Å; Q77-I80 PolarHBondContact O-N 3.34Å; Q77-V81 HydrophobicContact CG-CG2 4.42Å; Q77-V81 WeakPolarHBondContact O-CG2 3.43Å; Q77-V81 PolarHBondContact O-N 3.3Å
78	R	98	Very high	96	Very high	146 Å²	146	52.2 Å²	52.2	55%	0.551	25%	0.254	S	S	*	.	H	α-helix	trans	-60.9	-43.1	177.8	-174.1	-175.8	67	-143.6	-6.1	112.3	C74 M75 L76 I80 H82	C74-R78 PolarHBondContact O-N 2.82Å; M75-R78 WeakPolarHBondContact O-CB 3.25Å; M75-R78 PolarHBondContact O-N 2.96Å; L76-R78 VanDerWaalsContact C-N 3.26Å; L76-R78 PolarHBondContact O-N 3.12Å; R78-I80 VanDerWaalsContact C-N 3.35Å; R78-H82 WeakPolarHBondContact O-CB 3.3Å; R78-H82 PolarHBondContact O-N 3Å
79	E	97.8	Very high	95.4	Very high	45 Å²	45	53.4 Å²	53.4	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-68.8	-35.3	179.1	-57.1	-59.3	138	0	0	111.6	M75 L76 Q77 H82 F83 I192 H194	M75-E79 PolarHBondContact O-N 3.46Å; M75-E79 HydrophobicContact SD-CG 3.82Å; L76-E79 PolarHBondContact O-N 3.33Å; L76-E79 VanDerWaalsContact O-N 3.11Å; Q77-E79 PolarHBondContact O-N 2.83Å; E79-H82 PolarHBondContact O-N 3.41Å; E79-F83 PolarHBondContact O-N 2.9Å; E79-I192 HydrophobicContact CB-CB 4.24Å; E79-I192 HydrophobicContact CB-CD1 3.73Å; E79-I192 HydrophobicContact CB-CG2 4.17Å; E79-I192 HydrophobicContact CG-CB 4.41Å; E79-I192 HydrophobicContact CG-CD1 3.97Å; E79-H194 PolarHBondContact O-CE1 3.37Å
80	I	97.4	Very high	94.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-46.3	175.4	-64.2	173.6	0	0	0	111	E18 I21 S22 L76 Q77 R78 H82 F83 L84	E18-I80 HydrophobicContact CB-CG2 4.45Å; E18-I80 HydrophobicContact CG-CG2 4.02Å; I21-I80 HydrophobicContact CB-CD1 4.21Å; I21-I80 HydrophobicContact CB-CG1 4.44Å; I21-I80 HydrophobicContact CB-CG2 4.36Å; I21-I80 HydrophobicContact CD1-CG2 4.37Å; I21-I80 HydrophobicContact CG2-CD1 3.71Å; I21-I80 HydrophobicContact CG2-CG1 3.72Å; I21-I80 HydrophobicContact CG2-CG2 4.46Å; S22-I80 WeakPolarHBondContact OG-CD1 3.35Å; L76-I80 HydrophobicContact CD1-CD1 4.39Å; L76-I80 HydrophobicContact CD2-CD1 4.42Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 WeakPolarHBondContact O-CG1 3.46Å; L76-I80 PolarHBondContact O-N 3.13Å; Q77-I80 PolarHBondContact O-N 3.34Å; R78-I80 VanDerWaalsContact C-N 3.35Å; I80-H82 VanDerWaalsContact C-N 3.28Å; I80-H82 PolarHBondContact O-N 2.82Å; I80-F83 WeakPolarHBondContact O-CB 3.41Å; I80-F83 PolarHBondContact O-N 3.36Å; I80-F83 VanDerWaalsContact O-N 3.16Å; I80-L84 HydrophobicContact CG2-CD1 4.38Å; I80-L84 WeakPolarHBondContact O-CG 3.36Å; I80-L84 PolarHBondContact O-N 3.32Å
81	V	96.3	Very high	93.2	Very high	50 Å²	50	56.7 Å²	56.7	30%	0.303	29%	0.289	S	S	.	.	H	α-helix	trans	-60.7	-40.8	175.4	171	0	0	0	0	110.8	Q77 F83 L84 D85	Q77-V81 HydrophobicContact CG-CG2 4.42Å; Q77-V81 WeakPolarHBondContact O-CG2 3.43Å; Q77-V81 PolarHBondContact O-N 3.3Å; V81-F83 VanDerWaalsContact C-N 3.33Å; V81-F83 PolarHBondContact O-N 3.06Å; V81-L84 WeakPolarHBondContact O-CB 3.36Å; V81-L84 PolarHBondContact O-N 2.98Å; V81-L84 VanDerWaalsContact O-N 3.14Å; V81-D85 PolarHBondContact O-N 2.83Å
82	H	95.3	Very high	91.6	Very high	91 Å²	91	59.5 Å²	59.5	42%	0.421	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-43.6	175.3	-176.5	52.9	0	0	0	112.2	R78 E79 I80 L84 D85 L86	R78-H82 WeakPolarHBondContact O-CB 3.3Å; R78-H82 PolarHBondContact O-N 3Å; E79-H82 PolarHBondContact O-N 3.41Å; I80-H82 VanDerWaalsContact C-N 3.28Å; I80-H82 PolarHBondContact O-N 2.82Å; H82-L84 PolarHBondContact O-N 3.01Å; H82-D85 PolarHBondContact O-N 2.79Å; H82-L86 WeakPolarHBondContact O-CG 3.41Å; H82-L86 PolarHBondContact O-N 2.77Å
83	F	94.8	Very high	90.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-44.9	172.7	176.9	-115.8	0	0	0	112.8	I17 I21 E79 I80 V81 D85 L86 M87 I98 V126 H194 L196	I17-F83 HydrophobicContact CG2-CE1 4.34Å; I21-F83 HydrophobicContact CD1-CD1 3.6Å; I21-F83 HydrophobicContact CD1-CE1 3.68Å; E79-F83 PolarHBondContact O-N 2.9Å; I80-F83 WeakPolarHBondContact O-CB 3.41Å; I80-F83 PolarHBondContact O-N 3.36Å; I80-F83 VanDerWaalsContact O-N 3.16Å; V81-F83 VanDerWaalsContact C-N 3.33Å; V81-F83 PolarHBondContact O-N 3.06Å; F83-D85 VanDerWaalsContact C-N 3.34Å; F83-D85 PolarHBondContact O-N 3.4Å; F83-L86 WeakPolarHBondContact O-CB 3.1Å; F83-L86 PolarHBondContact O-N 3Å; F83-M87 HydrophobicContact CD1-SD 4.3Å; F83-M87 HydrophobicContact CD2-CG 4.46Å; F83-M87 HydrophobicContact CE1-CG 4.14Å; F83-M87 HydrophobicContact CE1-SD 3.48Å; F83-M87 WeakPolarHBondContact CE1-SD 3.46Å; F83-M87 HydrophobicContact CE2-CG 4.05Å; F83-M87 HydrophobicContact CE2-SD 4.21Å; F83-M87 HydrophobicContact CZ-CG 3.88Å; F83-M87 HydrophobicContact CZ-SD 3.43Å; F83-M87 WeakPolarHBondContact CZ-SD 3.33Å; F83-M87 WeakPolarHBondContact O-CG 3.44Å; F83-M87 PolarHBondContact O-N 3.24Å; F83-I98 HydrophobicContact CB-CD1 3.96Å; F83-I98 HydrophobicContact CD1-CB 4.35Å; F83-I98 HydrophobicContact CD1-CD1 4.22Å; F83-I98 HydrophobicContact CD2-CB 4.22Å; F83-I98 HydrophobicContact CE1-CB 4.32Å; F83-I98 HydrophobicContact CE1-CG2 4.36Å; F83-I98 HydrophobicContact CE2-CB 4.18Å; F83-I98 HydrophobicContact CG-CB 4.29Å; F83-I98 HydrophobicContact CG-CD1 4Å; F83-I98 HydrophobicContact CZ-CB 4.22Å; F83-V126 HydrophobicContact CE1-CG2 4.09Å; F83-V126 HydrophobicContact CZ-CG2 4.23Å; F83-H194 WeakPolarHBondContact CB-ND1 3.48Å; F83-H194 HydrophobicContact CD2-CB 3.97Å; F83-H194 AromaticContact CD2-CG 3.92Å; F83-H194 AromaticContact CD2-ND1 3.41Å; F83-H194 WeakPolarHBondContact CD2-ND1 3.39Å; F83-H194 AromaticContact CG-ND1 3.7Å; F83-L196 HydrophobicContact CE2-CD2 4.34Å
84	L	93.5	Very high	89.7	Confident	8 Å²	8	64 Å²	64	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-41.6	178.3	-67.6	173.5	0	0	0	112	I17 E18 I80 V81 H82 L86 M87 R88	I17-L84 HydrophobicContact CB-CD2 3.55Å; I17-L84 HydrophobicContact CD1-CD2 3.84Å; I17-L84 HydrophobicContact CG1-CD2 4.31Å; I17-L84 HydrophobicContact CG2-CD2 3.34Å; E18-L84 HydrophobicContact CB-CD1 3.95Å; E18-L84 HydrophobicContact CG-CD1 4.31Å; I80-L84 HydrophobicContact CG2-CD1 4.38Å; I80-L84 WeakPolarHBondContact O-CG 3.36Å; I80-L84 PolarHBondContact O-N 3.32Å; V81-L84 WeakPolarHBondContact O-CB 3.36Å; V81-L84 PolarHBondContact O-N 2.98Å; V81-L84 VanDerWaalsContact O-N 3.14Å; H82-L84 PolarHBondContact O-N 3.01Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L84-M87 PolarHBondContact O-N 3.46Å; L84-R88 WeakPolarHBondContact O-CB 2.84Å; L84-R88 VanDerWaalsContact O-CG 3.25Å; L84-R88 WeakPolarHBondContact O-CG 3.05Å; L84-R88 PolarHBondContact O-N 3.2Å
85	D	92.8	Very high	89.4	Confident	78 Å²	78	63 Å²	63	42%	0.417	33%	0.329	S	S	.	.	H	α-helix	trans	-65.1	-39.1	177.2	-71.3	-21.1	0	0	0	111.4	V81 H82 F83 R88 A89	V81-D85 PolarHBondContact O-N 2.83Å; H82-D85 PolarHBondContact O-N 2.79Å; F83-D85 VanDerWaalsContact C-N 3.34Å; F83-D85 PolarHBondContact O-N 3.4Å; D85-R88 PolarHBondContact O-N 3.09Å; D85-R88 IonicContact OD1-NH1 2.99Å; D85-R88 PolarHBondContact OD1-NH1 2.8Å; D85-A89 WeakPolarHBondContact O-CB 3.4Å; D85-A89 PolarHBondContact O-N 2.87Å
86	L	91.3	Very high	89.2	Confident	55 Å²	55	62.2 Å²	62.2	29%	0.288	33%	0.326	S	S	.	.	H	α-helix	trans	-62.5	-43.1	171.7	-71.1	175.7	0	0	0	111.7	H82 F83 L84 N90 H194 L196	H82-L86 WeakPolarHBondContact O-CG 3.41Å; H82-L86 PolarHBondContact O-N 2.77Å; F83-L86 WeakPolarHBondContact O-CB 3.1Å; F83-L86 PolarHBondContact O-N 3Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L86-N90 PolarHBondContact O-N 3.32Å; L86-N90 PolarHBondContact O-ND2 3.08Å; L86-H194 HydrophobicContact CD1-CB 4.45Å; L86-L196 HydrophobicContact CB-CD1 3.88Å
87	M	89.6	Confident	89.1	Confident	16 Å²	16	63.2 Å²	63.2	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-43.6	175.2	-74.8	-161	63.3	0	0	112.1	I17 F83 L84 N90 V128 L196	I17-M87 HydrophobicContact CD1-SD 4.49Å; F83-M87 HydrophobicContact CD1-SD 4.3Å; F83-M87 HydrophobicContact CD2-CG 4.46Å; F83-M87 HydrophobicContact CE1-CG 4.14Å; F83-M87 HydrophobicContact CE1-SD 3.48Å; F83-M87 WeakPolarHBondContact CE1-SD 3.46Å; F83-M87 HydrophobicContact CE2-CG 4.05Å; F83-M87 HydrophobicContact CE2-SD 4.21Å; F83-M87 HydrophobicContact CZ-CG 3.88Å; F83-M87 HydrophobicContact CZ-SD 3.43Å; F83-M87 WeakPolarHBondContact CZ-SD 3.33Å; F83-M87 WeakPolarHBondContact O-CG 3.44Å; F83-M87 PolarHBondContact O-N 3.24Å; L84-M87 PolarHBondContact O-N 3.46Å; M87-N90 CarbonylContact O-C 3.54Å; M87-N90 VanDerWaalsContact O-C 3.29Å; M87-N90 PolarHBondContact O-N 3.4Å; M87-N90 VanDerWaalsContact O-N 3.13Å; M87-V128 HydrophobicContact CE-CG2 3.43Å; M87-V128 VanDerWaalsContact CE-CG2 3.43Å; M87-L196 HydrophobicContact CG-CD2 3.95Å
88	R	87.8	Confident	89	Confident	168 Å²	168	60.4 Å²	60.4	63%	0.634	32%	0.318	S	S	*	.	H	α-helix	trans	-65.6	-38.8	179	-71.8	168.1	-177.1	168.9	-0.2	112.8	L84 D85 N90	L84-R88 WeakPolarHBondContact O-CB 2.84Å; L84-R88 VanDerWaalsContact O-CG 3.25Å; L84-R88 WeakPolarHBondContact O-CG 3.05Å; L84-R88 PolarHBondContact O-N 3.2Å; D85-R88 PolarHBondContact O-N 3.09Å; D85-R88 IonicContact OD1-NH1 2.99Å; D85-R88 PolarHBondContact OD1-NH1 2.8Å; R88-N90 PolarHBondContact O-N 3.17Å
89	A	86.7	Confident	89	Confident	83 Å²	83	53.8 Å²	53.8	69%	0.686	29%	0.294	S	S	*	.	H	α-helix	trans	-64.2	-24.2	175.2	0	0	0	0	0	112.2	D85	D85-A89 WeakPolarHBondContact O-CB 3.4Å; D85-A89 PolarHBondContact O-N 2.87Å
90	N	78.6	Confident	89.1	Confident	71 Å²	71	51.6 Å²	51.6	38%	0.38	28%	0.284	S	S	.	.			trans	-103.5	65.6	176.9	-67.7	-74.2	0	0	0	110.5	L86 M87 R88 V92 A93 L196	L86-N90 PolarHBondContact O-N 3.32Å; L86-N90 PolarHBondContact O-ND2 3.08Å; M87-N90 CarbonylContact O-C 3.54Å; M87-N90 VanDerWaalsContact O-C 3.29Å; M87-N90 PolarHBondContact O-N 3.4Å; M87-N90 VanDerWaalsContact O-N 3.13Å; R88-N90 PolarHBondContact O-N 3.17Å; N90-V92 PolarHBondContact O-N 2.85Å; N90-A93 HydrophobicContact CB-CB 4.19Å; N90-A93 PolarHBondContact O-N 2.85Å; N90-L196 WeakPolarHBondContact ND2-CD1 3.43Å
91	D	69.3	Low	89.1	Confident	127 Å²	127	52.5 Å²	52.5	68%	0.679	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-16.7	-177.3	-165.7	30	0	0	0	114.5
92	V	64.6	Low	89.2	Confident	144 Å²	144	50.1 Å²	50.1	87%	0.873	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-26.5	176.9	-167.9	0	0	0	0	112.7	N90 N94	N90-V92 PolarHBondContact O-N 2.85Å; V92-N94 PolarHBondContact O-N 3.31Å
93	A	69.2	Low	89.3	Confident	26 Å²	26	47.3 Å²	47.3	22%	0.215	26%	0.259	C	S	.	.			trans	-92.6	98.5	-174.9	0	0	0	0	0	110.9	N90 V95	N90-A93 HydrophobicContact CB-CB 4.19Å; N90-A93 PolarHBondContact O-N 2.85Å; A93-V95 PolarHBondContact O-N 3.42Å
94	N	87.5	Confident	89.3	Confident	76 Å²	76	48.1 Å²	48.1	41%	0.406	26%	0.263	S	S	.	.	S	Bend	trans	-73.4	3.6	165.8	-66.6	-33.2	0	0	0	112.2	V92 V128	V92-N94 PolarHBondContact O-N 3.31Å; N94-V128 PolarHBondContact O-N 3.11Å
95	V	91.9	Very high	89.4	Confident	61 Å²	61	50.6 Å²	50.6	37%	0.37	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.1	-175.3	-176.3	0	0	0	0	109.8	A93 V126	A93-V95 PolarHBondContact O-N 3.42Å; V95-V126 CarbonylContact C-O 3.55Å; V95-V126 VanDerWaalsContact CA-O 3.25Å; V95-V126 WeakPolarHBondContact CA-O 3.47Å
96	G	94	Very high	89.3	Confident	2 Å²	2	52 Å²	52	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	163.6	171.5	0	0	0	0	0	111.4	V126	G96-V126 PolarHBondContact N-O 3.01Å; G96-V126 PolarHBondContact O-N 3.24Å
97	E	95.7	Very high	88.9	Confident	22 Å²	22	57 Å²	57	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.6	170.3	177.8	-169.9	106	0	0	108.4	M123 V124 H125 H194 K195	E97-M123 HydrophobicContact CG-CB 4.44Å; E97-V124 WeakPolarHBondContact CA-O 3.4Å; E97-H125 IonicContact OE2-CE1 3.87Å; E97-H125 PolarHBondContact OE2-CE1 2.9Å; E97-H125 IonicContact OE2-ND1 3.27Å; E97-H194 CarbonylContact O-C 3.38Å; E97-H194 WeakPolarHBondContact O-CA 3.36Å; E97-K195 HydrophobicContact CB-CB 4.24Å; E97-K195 PolarHBondContact N-O 3.29Å; E97-K195 PolarHBondContact O-N 3.25Å; E97-K195 WeakPolarHBondContact OE1-CD 3.39Å; E97-K195 WeakPolarHBondContact OE1-CE 3.38Å; E97-K195 IonicContact OE1-NZ 2.65Å; E97-K195 PolarHBondContact OE1-NZ 3.24Å; E97-K195 IonicContact OE2-NZ 2.72Å
98	I	97.5	Very high	88.1	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140	167.4	-170.8	170.6	0	0	0	108.6	I21 F25 F83 V124 I192 R193 H194	I21-I98 HydrophobicContact CD1-CD1 4.5Å; I21-I98 HydrophobicContact CD1-CG2 3.94Å; I21-I98 HydrophobicContact CG1-CG2 4.11Å; I21-I98 HydrophobicContact CG2-CD1 4.1Å; I21-I98 HydrophobicContact CG2-CG2 4.16Å; F25-I98 HydrophobicContact CE2-CD1 3.78Å; F25-I98 HydrophobicContact CE2-CG1 3.76Å; F25-I98 HydrophobicContact CZ-CB 4.39Å; F25-I98 HydrophobicContact CZ-CD1 4.26Å; F25-I98 HydrophobicContact CZ-CG1 3.81Å; F25-I98 HydrophobicContact CZ-CG2 3.99Å; F83-I98 HydrophobicContact CB-CD1 3.96Å; F83-I98 HydrophobicContact CD1-CB 4.35Å; F83-I98 HydrophobicContact CD1-CD1 4.22Å; F83-I98 HydrophobicContact CD2-CB 4.22Å; F83-I98 HydrophobicContact CE1-CB 4.32Å; F83-I98 HydrophobicContact CE1-CG2 4.36Å; F83-I98 HydrophobicContact CE2-CB 4.18Å; F83-I98 HydrophobicContact CG-CB 4.29Å; F83-I98 HydrophobicContact CG-CD1 4Å; F83-I98 HydrophobicContact CZ-CB 4.22Å; I98-V124 HydrophobicContact CG2-CB 4.03Å; I98-V124 PolarHBondContact N-O 2.86Å; I98-V124 PolarHBondContact O-N 3.39Å; I98-I192 HydrophobicContact CD1-CG2 3.91Å; I98-I192 HydrophobicContact CG1-CG2 3.86Å; I98-R193 CarbonylContact C-O 3.58Å; I98-R193 WeakPolarHBondContact CA-O 3.26Å; I98-H194 WeakPolarHBondContact CG1-ND1 3.45Å
99	S	98.2	Very high	87.4	Confident	6 Å²	6	61.8 Å²	61.8	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.5	-179.6	66.9	0	0	0	0	112.2	W122 I192 R193	S99-W122 CarbonylContact C-O 3.29Å; S99-W122 WeakPolarHBondContact CA-O 3.29Å; S99-W122 VanDerWaalsContact CB-O 3.27Å; S99-W122 WeakPolarHBondContact CB-O 3.38Å; S99-I192 CarbonylContact O-C 3.56Å; S99-I192 VanDerWaalsContact O-CA 3.3Å; S99-I192 WeakPolarHBondContact O-CA 3.49Å; S99-R193 PolarHBondContact N-O 3.26Å; S99-R193 PolarHBondContact O-N 3.31Å
100	I	98.5	Very high	86.3	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125	164.9	-174.2	167.9	0	0	0	109	F25 L28 L29 F102 W122 Y190	F25-I100 HydrophobicContact CD1-CG2 4.18Å; F25-I100 HydrophobicContact CE1-CB 4.39Å; F25-I100 HydrophobicContact CE1-CG2 4.03Å; F25-I100 HydrophobicContact CE2-CB 4.29Å; F25-I100 HydrophobicContact CZ-CB 4.2Å; F25-I100 HydrophobicContact CZ-CG2 4.33Å; L28-I100 HydrophobicContact CD1-CG2 3.42Å; L28-I100 VanDerWaalsContact CD1-CG2 3.42Å; L29-I100 HydrophobicContact CD2-CD1 3.93Å; L29-I100 HydrophobicContact CG-CD1 4.11Å; I100-F102 HydrophobicContact CD1-CE1 4.13Å; I100-F102 HydrophobicContact CD1-CE2 4.24Å; I100-F102 HydrophobicContact CD1-CZ 3.66Å; I100-F102 HydrophobicContact CG1-CE1 4.5Å; I100-F102 HydrophobicContact CG1-CE2 4.17Å; I100-F102 HydrophobicContact CG1-CZ 4.04Å; I100-F102 HydrophobicContact CG2-CE2 4.31Å; I100-W122 HydrophobicContact CG2-CB 3.89Å; I100-W122 HydrophobicContact CG2-CG 4.48Å; I100-W122 PolarHBondContact N-O 3.5Å; I100-W122 PolarHBondContact O-N 2.94Å; I100-Y190 HydrophobicContact CD1-CD2 3.89Å; I100-Y190 HydrophobicContact CD1-CG 4.14Å; I100-Y190 HydrophobicContact CG1-CD2 4.15Å; I100-Y190 HydrophobicContact CG1-CG 4.38Å
101	E	97.9	Very high	86.2	Confident	19 Å²	19	72 Å²	72	9%	0.089	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.5	-180	171.8	-175	139.3	0	0	108.8	P118 E120 I121 Y190 Q191 R193	E101-P118 HydrophobicContact CG-CB 3.77Å; E101-P118 WeakPolarHBondContact OE1-CB 3.48Å; E101-E120 CarbonylContact C-O 3.52Å; E101-E120 WeakPolarHBondContact CA-O 3.46Å; E101-I121 HydrophobicContact CB-CG1 4.31Å; E101-I121 HydrophobicContact CG-CG1 4Å; E101-Y190 CarbonylContact O-C 3.59Å; E101-Y190 WeakPolarHBondContact O-CA 3.16Å; E101-Q191 HydrophobicContact CB-CG 3.94Å; E101-Q191 VanDerWaalsContact CD-NE2 3.29Å; E101-Q191 HydrophobicContact CG-CG 4.27Å; E101-Q191 PolarHBondContact N-O 2.93Å; E101-Q191 PolarHBondContact O-N 3.47Å; E101-Q191 PolarHBondContact OE1-NE2 2.91Å; E101-R193 IonicContact OE1-NH2 3.3Å; E101-R193 IonicContact OE2-CZ 2.94Å; E101-R193 IonicContact OE2-NE 3.71Å; E101-R193 PolarHBondContact OE2-NE 3.36Å; E101-R193 IonicContact OE2-NH2 3.08Å
102	F	98	Very high	86.3	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.5	171.6	-59.3	-83.4	0	0	0	110.3	L29 R32 I100 P118 W119 E120 L189 Y190	L29-F102 HydrophobicContact CD2-CE1 4.25Å; L29-F102 HydrophobicContact CD2-CZ 4.47Å; R32-F102 HydrophobicContact CB-CD1 4.12Å; R32-F102 HydrophobicContact CB-CE1 3.44Å; R32-F102 VanDerWaalsContact CB-CE1 3.44Å; R32-F102 HydrophobicContact CB-CE2 4.37Å; R32-F102 HydrophobicContact CB-CZ 3.59Å; R32-F102 HydrophobicContact CG-CD1 4.34Å; R32-F102 HydrophobicContact CG-CD2 4.39Å; R32-F102 HydrophobicContact CG-CE1 3.84Å; R32-F102 HydrophobicContact CG-CE2 3.88Å; R32-F102 HydrophobicContact CG-CZ 3.58Å; I100-F102 HydrophobicContact CD1-CE1 4.13Å; I100-F102 HydrophobicContact CD1-CE2 4.24Å; I100-F102 HydrophobicContact CD1-CZ 3.66Å; I100-F102 HydrophobicContact CG1-CE1 4.5Å; I100-F102 HydrophobicContact CG1-CE2 4.17Å; I100-F102 HydrophobicContact CG1-CZ 4.04Å; I100-F102 HydrophobicContact CG2-CE2 4.31Å; F102-P118 WeakPolarHBondContact O-CA 3.34Å; F102-W119 HydrophobicContact CB-CD2 4.22Å; F102-W119 HydrophobicContact CB-CH2 3.79Å; F102-W119 HydrophobicContact CB-CZ2 3.42Å; F102-W119 VanDerWaalsContact CB-CZ2 3.42Å; F102-W119 HydrophobicContact CB-CZ3 4.34Å; F102-W119 HydrophobicContact CG-CH2 4.22Å; F102-W119 HydrophobicContact CG-CZ2 4.19Å; F102-W119 PolarHBondContact O-N 3.05Å; F102-E120 HydrophobicContact CB-CB 4.29Å; F102-E120 HydrophobicContact CD2-CB 4.24Å; F102-E120 HydrophobicContact CD2-CG 4.14Å; F102-E120 PolarHBondContact N-O 3.05Å; F102-E120 PolarHBondContact O-N 2.67Å; F102-L189 WeakPolarHBondContact CA-O 3.41Å; F102-Y190 HydrophobicContact CE1-CD1 4.5Å; F102-Y190 HydrophobicContact CE1-CG 4.43Å
103	Y	97.3	Very high	87.1	Confident	31 Å²	31	68.7 Å²	68.7	12%	0.122	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	168.3	-175.9	67.1	-88.8	0	0	0	111.8	K105 I117 W119 L189 Y190 Q191	Y103-K105 HydrophobicContact CD2-CG 4.42Å; Y103-K105 HydrophobicContact CE2-CG 4.04Å; Y103-I117 CarbonylContact C-O 3.55Å; Y103-I117 VanDerWaalsContact CA-O 3.26Å; Y103-I117 WeakPolarHBondContact CA-O 3.37Å; Y103-I117 WeakPolarHBondContact CB-O 3.44Å; Y103-W119 VanDerWaalsContact C-CD1 3.42Å; Y103-W119 VanDerWaalsContact CA-CD1 3.45Å; Y103-W119 PolarHBondContact O-NE1 2.92Å; Y103-L189 HydrophobicContact CD1-CB 4.33Å; Y103-L189 HydrophobicContact CD2-CB 4.07Å; Y103-L189 HydrophobicContact CD2-CD1 4.27Å; Y103-L189 HydrophobicContact CE1-CB 4.07Å; Y103-L189 HydrophobicContact CE2-CB 3.79Å; Y103-L189 HydrophobicContact CE2-CD1 3.83Å; Y103-L189 HydrophobicContact CE2-CG 4.35Å; Y103-L189 HydrophobicContact CG-CB 4.33Å; Y103-L189 PolarHBondContact N-O 3.41Å; Y103-L189 WeakPolarHBondContact O-CB 3.36Å; Y103-Y190 VanDerWaalsContact CE1-C 3.45Å; Y103-Q191 HydrophobicContact CD1-CG 4.24Å; Y103-Q191 HydrophobicContact CE1-CB 4.14Å; Y103-Q191 HydrophobicContact CE1-CG 4.17Å
104	E	96.2	Very high	87.9	Confident	17 Å²	17	72.3 Å²	72.3	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.2	165.7	60.8	173.8	-169.3	0	0	108.9	R106 I117 Y164 P166	E104-R106 IonicContact OE1-CZ 3.24Å; E104-R106 IonicContact OE1-NE 2.93Å; E104-R106 PolarHBondContact OE1-NE 3.26Å; E104-R106 IonicContact OE1-NH2 3.2Å; E104-R106 PolarHBondContact OE1-NH2 3.37Å; E104-I117 HydrophobicContact CG-CB 4.38Å; E104-I117 PolarHBondContact N-O 3.37Å; E104-I117 PolarHBondContact O-N 3.3Å; E104-Y164 PolarHBondContact OE1-OH 3.37Å; E104-Y164 VanDerWaalsContact OE1-OH 3.11Å; E104-Y164 PolarHBondContact OE2-OH 3Å; E104-Y164 VanDerWaalsContact OE2-OH 3.07Å; E104-P166 HydrophobicContact CB-CG 4.34Å
105	K	95.3	Very high	88	Confident	61 Å²	61	71.7 Å²	71.7	27%	0.265	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.2	173.1	-65.4	173.8	-179	178.5	0	108.8	Y103 E115 L176 L189	Y103-K105 HydrophobicContact CD2-CG 4.42Å; Y103-K105 HydrophobicContact CE2-CG 4.04Å; K105-E115 CarbonylContact C-O 3.59Å; K105-E115 WeakPolarHBondContact CA-O 3.5Å; K105-L176 HydrophobicContact CB-CB 4.33Å; K105-L176 HydrophobicContact CB-CD2 3.86Å; K105-L176 PolarHBondContact N-O 3.03Å; K105-L189 HydrophobicContact CD-CD1 3.94Å; K105-L189 HydrophobicContact CG-CD1 3.81Å
106	R	90	Very high	88.1	Confident	107 Å²	107	71.7 Å²	71.7	40%	0.404	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.5	170.3	-64.4	-163.1	-168.4	156.3	1.4	109.9	E104 R108 E115 I117	E104-R106 IonicContact OE1-CZ 3.24Å; E104-R106 IonicContact OE1-NE 2.93Å; E104-R106 PolarHBondContact OE1-NE 3.26Å; E104-R106 IonicContact OE1-NH2 3.2Å; E104-R106 PolarHBondContact OE1-NH2 3.37Å; R106-R108 PolarHBondContact O-N 3.5Å; R106-E115 PolarHBondContact N-O 3.34Å; R106-E115 PolarHBondContact O-N 3.41Å; R106-I117 HydrophobicContact CB-CD1 4.04Å; R106-I117 VanDerWaalsContact CD-CD1 3.4Å; R106-I117 HydrophobicContact CG-CD1 3.68Å; R106-I117 HydrophobicContact CG-CG1 4.49Å
107	R	82.6	Confident	88.1	Confident	161 Å²	161	73 Å²	73	61%	0.608	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	113.5	167.2	-68.3	-177.8	177.5	162.8	3.4	108.2	E114	R107-E114 HydrophobicContact CG-CG 4.2Å; R107-E114 IonicContact NE-OE1 2.84Å
108	R	74.4	Confident	88.2	Confident	141 Å²	141	74 Å²	74	53%	0.532	35%	0.346	S	S	.	.			trans	-79.9	167.6	161.6	-85	-172.3	166.4	143.7	12.1	109.2	R106 F112 G113 E115	R106-R108 PolarHBondContact O-N 3.5Å; R108-F112 HydrophobicContact CB-CB 3.94Å; R108-G113 PolarHBondContact N-O 3.14Å; R108-E115 VanDerWaalsContact CZ-CD 3.43Å; R108-E115 IonicContact CZ-OE1 2.77Å; R108-E115 VanDerWaalsContact CZ-OE1 3.24Å; R108-E115 IonicContact CZ-OE2 2.77Å; R108-E115 IonicContact NE-OE2 4Å; R108-E115 PolarHBondContact NE-OE2 3.11Å; R108-E115 VanDerWaalsContact NH1-CD 3.3Å; R108-E115 IonicContact NH1-OE1 2.82Å; R108-E115 PolarHBondContact NH1-OE1 2.96Å; R108-E115 IonicContact NH1-OE2 3.28Å; R108-E115 PolarHBondContact NH1-OE2 3.39Å; R108-E115 IonicContact NH2-OE1 3.21Å; R108-E115 PolarHBondContact NH2-OE1 3.45Å; R108-E115 IonicContact NH2-OE2 3.04Å; R108-E115 PolarHBondContact NH2-OE2 3.22Å
109	N	72.1	Confident	88.1	Confident	142 Å²	142	74.5 Å²	74.5	76%	0.759	35%	0.348	S	S	*	.	S	Bend	trans	-45.4	146.7	173.9	-67.4	-5.9	0	0	0	110.7	L111 F112	N109-L111 PolarHBondContact O-N 2.9Å; N109-F112 PolarHBondContact O-N 3.49Å
110	W	64.7	Low	88	Confident	237 Å²	237	74.3 Å²	74.3	90%	0.898	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.9	-27.7	-166	175.8	73.1	0	0	0	117.5
111	L	76.2	Confident	88	Confident	133 Å²	133	76 Å²	76	70%	0.696	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.6	-180	-64.6	172.6	0	0	0	115.3	N109	N109-L111 PolarHBondContact O-N 2.9Å
112	F	70.2	Confident	88	Confident	157 Å²	157	75.2 Å²	75.2	69%	0.689	35%	0.351	S	S	*	.	S	Bend	trans	-112.2	6.7	-167.5	-64.4	-72.4	0	0	0	115.2	R108 N109	R108-F112 HydrophobicContact CB-CB 3.94Å; N109-F112 PolarHBondContact O-N 3.49Å
113	G	82.6	Confident	88	Confident	44 Å²	44	76.2 Å²	76.2	45%	0.454	36%	0.356	S	S	.	.			trans	63.6	-160.1	176.6	0	0	0	0	0	114.5	R108	R108-G113 PolarHBondContact N-O 3.14Å
114	E	84.5	Confident	88	Confident	101 Å²	101	74.7 Å²	74.7	47%	0.472	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.4	175.8	-66.3	-176.5	169.5	0	0	110.2	R107	R107-E114 HydrophobicContact CG-CG 4.2Å; R107-E114 IonicContact NE-OE1 2.84Å
115	E	90	Very high	88	Confident	64 Å²	64	76.4 Å²	76.4	30%	0.299	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.1	175.7	-177.2	178.2	-136.3	0	0	109.3	K105 R106 R108 I117	K105-E115 CarbonylContact C-O 3.59Å; K105-E115 WeakPolarHBondContact CA-O 3.5Å; R106-E115 PolarHBondContact N-O 3.34Å; R106-E115 PolarHBondContact O-N 3.41Å; R108-E115 VanDerWaalsContact CZ-CD 3.43Å; R108-E115 IonicContact CZ-OE1 2.77Å; R108-E115 VanDerWaalsContact CZ-OE1 3.24Å; R108-E115 IonicContact CZ-OE2 2.77Å; R108-E115 IonicContact NE-OE2 4Å; R108-E115 PolarHBondContact NE-OE2 3.11Å; R108-E115 VanDerWaalsContact NH1-CD 3.3Å; R108-E115 IonicContact NH1-OE1 2.82Å; R108-E115 PolarHBondContact NH1-OE1 2.96Å; R108-E115 IonicContact NH1-OE2 3.28Å; R108-E115 PolarHBondContact NH1-OE2 3.39Å; R108-E115 IonicContact NH2-OE1 3.21Å; R108-E115 PolarHBondContact NH2-OE1 3.45Å; R108-E115 IonicContact NH2-OE2 3.04Å; R108-E115 PolarHBondContact NH2-OE2 3.22Å; E115-I117 HydrophobicContact CG-CG1 4.06Å
116	S	94.3	Very high	88.1	Confident	61 Å²	61	73.6 Å²	73.6	43%	0.427	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	119	170.9	-63.8	0	0	0	0	109.8
117	I	94.8	Very high	88.3	Confident	29 Å²	29	70.8 Å²	70.8	15%	0.149	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	108.1	-177.8	-58.9	-177.7	0	0	0	108.7	Y103 E104 R106 E115	Y103-I117 CarbonylContact C-O 3.55Å; Y103-I117 VanDerWaalsContact CA-O 3.26Å; Y103-I117 WeakPolarHBondContact CA-O 3.37Å; Y103-I117 WeakPolarHBondContact CB-O 3.44Å; E104-I117 HydrophobicContact CG-CB 4.38Å; E104-I117 PolarHBondContact N-O 3.37Å; E104-I117 PolarHBondContact O-N 3.3Å; R106-I117 HydrophobicContact CB-CD1 4.04Å; R106-I117 VanDerWaalsContact CD-CD1 3.4Å; R106-I117 HydrophobicContact CG-CD1 3.68Å; R106-I117 HydrophobicContact CG-CG1 4.49Å; E115-I117 HydrophobicContact CG-CG1 4.06Å
118	P	96.2	Very high	88.9	Confident	44 Å²	44	63.7 Å²	63.7	29%	0.286	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	142.7	175.3	26.4	-32.2	0	0	0	111	A3 E101 F102	A3-P118 HydrophobicContact CB-CB 4.07Å; A3-P118 HydrophobicContact CB-CG 4.49Å; E101-P118 HydrophobicContact CG-CB 3.77Å; E101-P118 WeakPolarHBondContact OE1-CB 3.48Å; F102-P118 WeakPolarHBondContact O-CA 3.34Å
119	W	96.3	Very high	89.8	Confident	10 Å²	10	59.1 Å²	59.1	4%	0.038	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	-18.4	176.3	53.6	-95.2	0	0	0	113.3	A4 F102 Y103 Y164 L165 P166 Y188	A4-W119 PolarHBondContact N-O 3.44Å; F102-W119 HydrophobicContact CB-CD2 4.22Å; F102-W119 HydrophobicContact CB-CH2 3.79Å; F102-W119 HydrophobicContact CB-CZ2 3.42Å; F102-W119 VanDerWaalsContact CB-CZ2 3.42Å; F102-W119 HydrophobicContact CB-CZ3 4.34Å; F102-W119 HydrophobicContact CG-CH2 4.22Å; F102-W119 HydrophobicContact CG-CZ2 4.19Å; F102-W119 PolarHBondContact O-N 3.05Å; Y103-W119 VanDerWaalsContact C-CD1 3.42Å; Y103-W119 VanDerWaalsContact CA-CD1 3.45Å; Y103-W119 PolarHBondContact O-NE1 2.92Å; W119-Y164 HydrophobicContact CB-CD1 3.75Å; W119-Y164 HydrophobicContact CB-CE1 4Å; W119-Y164 HydrophobicContact CG-CD1 4.27Å; W119-Y164 HydrophobicContact CG-CE1 4.27Å; W119-L165 HydrophobicContact CE3-CD2 4.3Å; W119-L165 HydrophobicContact CH2-CD2 3.85Å; W119-L165 HydrophobicContact CZ3-CD2 3.48Å; W119-L165 VanDerWaalsContact CZ3-CD2 3.48Å; W119-P166 HydrophobicContact CD2-CG 4.29Å; W119-P166 HydrophobicContact CG-CG 4.47Å; W119-P166 HydrophobicContact CZ2-CG 4.04Å; W119-Y188 HydrophobicContact CH2-CD2 4.21Å; W119-Y188 HydrophobicContact CH2-CG 4.27Å; W119-Y188 AromaticContact CZ2-CD1 3.98Å; W119-Y188 HydrophobicContact CZ2-CD1 3.98Å; W119-Y188 HydrophobicContact CZ2-CD2 4.21Å; W119-Y188 AromaticContact CZ2-CG 3.8Å; W119-Y188 HydrophobicContact CZ2-CG 3.8Å
120	E	96.9	Very high	90.9	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	134.8	176.1	179.1	176.4	-158.1	0	0	111.3	A4 R32 E101 F102 W122 M163	A4-E120 CarbonylContact O-C 3.51Å; A4-E120 VanDerWaalsContact O-CA 3.31Å; A4-E120 WeakPolarHBondContact O-CA 3.4Å; R32-E120 IonicContact CZ-OE1 3.25Å; R32-E120 IonicContact CZ-OE2 3.02Å; R32-E120 VanDerWaalsContact CZ-OE2 3.27Å; R32-E120 IonicContact NE-OE1 2.81Å; R32-E120 IonicContact NE-OE2 3.69Å; R32-E120 PolarHBondContact NE-OE2 2.84Å; R32-E120 VanDerWaalsContact NH2-CD 3.29Å; R32-E120 IonicContact NH2-OE1 3.86Å; R32-E120 PolarHBondContact NH2-OE1 3.44Å; R32-E120 IonicContact NH2-OE2 3.95Å; R32-E120 PolarHBondContact NH2-OE2 3.49Å; E101-E120 CarbonylContact C-O 3.52Å; E101-E120 WeakPolarHBondContact CA-O 3.46Å; F102-E120 HydrophobicContact CB-CB 4.29Å; F102-E120 HydrophobicContact CD2-CB 4.24Å; F102-E120 HydrophobicContact CD2-CG 4.14Å; F102-E120 PolarHBondContact N-O 3.05Å; F102-E120 PolarHBondContact O-N 2.67Å; E120-W122 VanDerWaalsContact OE1-CE2 3.27Å; E120-W122 VanDerWaalsContact OE1-CZ2 3.27Å; E120-W122 WeakPolarHBondContact OE1-CZ2 3.4Å; E120-W122 PolarHBondContact OE1-NE1 3.37Å; E120-M163 HydrophobicContact CB-CE 4.16Å; E120-M163 HydrophobicContact CG-CE 3.99Å
121	I	97.2	Very high	92.2	Very high	35 Å²	35	48.7 Å²	48.7	18%	0.179	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127.5	-176.7	-55.4	174.5	0	0	0	109.3	A3 A4 S5 Q6 E101 M123	A3-I121 HydrophobicContact CB-CD1 3.88Å; A3-I121 HydrophobicContact CB-CG1 4.01Å; A4-I121 PolarHBondContact O-N 3.46Å; S5-I121 CarbonylContact C-O 3.59Å; S5-I121 VanDerWaalsContact CA-O 3.27Å; S5-I121 WeakPolarHBondContact CA-O 3.32Å; Q6-I121 PolarHBondContact N-O 2.85Å; E101-I121 HydrophobicContact CB-CG1 4.31Å; E101-I121 HydrophobicContact CG-CG1 4Å; I121-M123 HydrophobicContact CG2-CE 4.16Å; I121-M123 HydrophobicContact CG2-CG 4.1Å
122	W	98	Very high	93	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119	173.7	-61.2	84.5	0	0	0	109.1	Q6 F8 L28 S99 I100 E120 I155 I159	Q6-W122 HydrophobicContact CB-CD2 4.23Å; Q6-W122 HydrophobicContact CB-CE3 3.57Å; Q6-W122 HydrophobicContact CB-CH2 4.39Å; Q6-W122 HydrophobicContact CB-CZ3 3.7Å; Q6-W122 HydrophobicContact CG-CE3 4.17Å; Q6-W122 HydrophobicContact CG-CH2 4.1Å; Q6-W122 HydrophobicContact CG-CZ3 3.89Å; F8-W122 HydrophobicContact CD2-CE3 4.47Å; F8-W122 AromaticContact CE2-CE3 3.48Å; F8-W122 HydrophobicContact CE2-CE3 3.48Å; F8-W122 VanDerWaalsContact CE2-CE3 3.48Å; F8-W122 AromaticContact CE2-CZ3 3.68Å; F8-W122 HydrophobicContact CE2-CZ3 3.68Å; F8-W122 AromaticContact CZ-CE3 3.93Å; F8-W122 HydrophobicContact CZ-CE3 3.93Å; F8-W122 AromaticContact CZ-CZ3 3.64Å; F8-W122 HydrophobicContact CZ-CZ3 3.64Å; L28-W122 HydrophobicContact CD1-CB 3.56Å; L28-W122 HydrophobicContact CD1-CD2 4.15Å; L28-W122 HydrophobicContact CD1-CG 3.65Å; L28-W122 HydrophobicContact CD2-CD2 3.47Å; L28-W122 VanDerWaalsContact CD2-CD2 3.47Å; L28-W122 HydrophobicContact CD2-CE3 3.88Å; L28-W122 HydrophobicContact CD2-CG 3.77Å; L28-W122 HydrophobicContact CD2-CH2 4.33Å; L28-W122 HydrophobicContact CD2-CZ2 4.01Å; L28-W122 HydrophobicContact CD2-CZ3 4.26Å; L28-W122 HydrophobicContact CG-CD2 4.48Å; L28-W122 HydrophobicContact CG-CG 4.37Å; S99-W122 CarbonylContact C-O 3.29Å; S99-W122 WeakPolarHBondContact CA-O 3.29Å; S99-W122 VanDerWaalsContact CB-O 3.27Å; S99-W122 WeakPolarHBondContact CB-O 3.38Å; I100-W122 HydrophobicContact CG2-CB 3.89Å; I100-W122 HydrophobicContact CG2-CG 4.48Å; I100-W122 PolarHBondContact N-O 3.5Å; I100-W122 PolarHBondContact O-N 2.94Å; E120-W122 VanDerWaalsContact OE1-CE2 3.27Å; E120-W122 VanDerWaalsContact OE1-CZ2 3.27Å; E120-W122 WeakPolarHBondContact OE1-CZ2 3.4Å; E120-W122 PolarHBondContact OE1-NE1 3.37Å; W122-I155 HydrophobicContact CE3-CG1 4.42Å; W122-I155 HydrophobicContact CH2-CG1 4.35Å; W122-I155 HydrophobicContact CH2-CG2 4.48Å; W122-I155 HydrophobicContact CZ3-CG1 3.84Å; W122-I159 HydrophobicContact CH2-CB 4.29Å; W122-I159 HydrophobicContact CH2-CG1 4.49Å; W122-I159 HydrophobicContact CZ2-CB 4.12Å; W122-I159 HydrophobicContact CZ2-CD1 3.95Å; W122-I159 HydrophobicContact CZ2-CG1 3.86Å
123	M	97.9	Very high	94.3	Very high	21 Å²	21	44.2 Å²	44.2	10%	0.103	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.6	-179.9	-68.5	161.1	-82	0	0	110	Q6 Q7 F8 E97 I121	Q6-M123 PolarHBondContact O-N 2.84Å; Q7-M123 CarbonylContact C-O 3.53Å; Q7-M123 WeakPolarHBondContact CA-O 3.33Å; Q7-M123 HydrophobicContact CG-CB 4.08Å; Q7-M123 HydrophobicContact CG-CE 3.45Å; Q7-M123 VanDerWaalsContact CG-CE 3.45Å; Q7-M123 HydrophobicContact CG-SD 4.09Å; Q7-M123 PolarHBondContact NE2-SD 3.13Å; Q7-M123 VanDerWaalsContact NE2-SD 3.43Å; F8-M123 PolarHBondContact N-O 3.3Å; E97-M123 HydrophobicContact CG-CB 4.44Å; I121-M123 HydrophobicContact CG2-CE 4.16Å; I121-M123 HydrophobicContact CG2-CG 4.1Å
124	V	98	Very high	94.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.5	174.3	-177.6	0	0	0	0	107.7	F8 I10 I24 F25 E97 I98 V126	F8-V124 WeakPolarHBondContact O-CA 3.37Å; I10-V124 HydrophobicContact CD1-CG1 3.82Å; I10-V124 HydrophobicContact CG1-CG1 3.86Å; I24-V124 HydrophobicContact CD1-CG1 4.03Å; I24-V124 HydrophobicContact CD1-CG2 3.9Å; I24-V124 HydrophobicContact CG2-CG2 4Å; F25-V124 HydrophobicContact CE1-CG2 3.93Å; E97-V124 WeakPolarHBondContact CA-O 3.4Å; I98-V124 HydrophobicContact CG2-CB 4.03Å; I98-V124 PolarHBondContact N-O 2.86Å; I98-V124 PolarHBondContact O-N 3.39Å; V124-V126 HydrophobicContact CG1-CG2 4.08Å
125	H	96.9	Very high	95.5	Very high	53 Å²	53	50.2 Å²	50.2	25%	0.245	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.5	168.6	-59.3	-71.3	0	0	0	108.6	F8 E9 I10 E97	F8-H125 PolarHBondContact O-CD2 3.23Å; F8-H125 PolarHBondContact O-N 3.3Å; E9-H125 CarbonylContact C-O 3.58Å; E9-H125 WeakPolarHBondContact CA-O 3.32Å; E9-H125 HydrophobicContact CB-CB 4.44Å; E9-H125 HydrophobicContact CG-CB 4.34Å; I10-H125 PolarHBondContact N-O 2.76Å; E97-H125 IonicContact OE2-CE1 3.87Å; E97-H125 PolarHBondContact OE2-CE1 2.9Å; E97-H125 IonicContact OE2-ND1 3.27Å
126	V	96.2	Very high	95.9	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117.1	-176.8	-175.2	0	0	0	0	108.3	I10 V12 I17 I21 F83 V95 G96 V124 V128	I10-V126 HydrophobicContact CD1-CG2 4.1Å; I10-V126 HydrophobicContact CG1-CB 4.43Å; I10-V126 HydrophobicContact CG1-CG1 4.42Å; I10-V126 HydrophobicContact CG1-CG2 4.13Å; V12-V126 HydrophobicContact CG2-CG1 3.79Å; I17-V126 HydrophobicContact CG1-CG1 4.34Å; I17-V126 HydrophobicContact CG2-CG1 4.12Å; I21-V126 HydrophobicContact CD1-CG2 4.43Å; F83-V126 HydrophobicContact CE1-CG2 4.09Å; F83-V126 HydrophobicContact CZ-CG2 4.23Å; V95-V126 CarbonylContact C-O 3.55Å; V95-V126 VanDerWaalsContact CA-O 3.25Å; V95-V126 WeakPolarHBondContact CA-O 3.47Å; G96-V126 PolarHBondContact N-O 3.01Å; G96-V126 PolarHBondContact O-N 3.24Å; V124-V126 HydrophobicContact CG1-CG2 4.08Å; V126-V128 HydrophobicContact CG1-CG2 4.09Å
127	N	95.1	Very high	96	Very high	49 Å²	49	49.9 Å²	49.9	26%	0.262	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.7	171.8	174	50.7	0	0	0	109.6	I10 T11 V12	I10-N127 PolarHBondContact O-N 2.97Å; T11-N127 CarbonylContact C-O 3.56Å; T11-N127 VanDerWaalsContact CA-O 3.29Å; T11-N127 WeakPolarHBondContact CA-O 3.48Å; T11-N127 WeakPolarHBondContact CG2-ND2 3.25Å; T11-N127 PolarHBondContact OG1-ND2 3.05Å; T11-N127 VanDerWaalsContact OG1-ND2 3.09Å; V12-N127 PolarHBondContact N-O 3.16Å
128	V	94.3	Very high	96.1	Very high	11 Å²	11	51.4 Å²	51.4	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.4	-174.8	-176.7	0	0	0	0	110.4	V12 I17 M87 N94 V126	V12-V128 CarbonylContact O-C 3.56Å; V12-V128 VanDerWaalsContact O-CA 3.27Å; V12-V128 WeakPolarHBondContact O-CA 3.18Å; I17-V128 HydrophobicContact CD1-CG2 3.65Å; I17-V128 HydrophobicContact CG1-CG2 4.27Å; M87-V128 HydrophobicContact CE-CG2 3.43Å; M87-V128 VanDerWaalsContact CE-CG2 3.43Å; N94-V128 PolarHBondContact O-N 3.11Å; V126-V128 HydrophobicContact CG1-CG2 4.09Å
129	V	94.3	Very high	96.2	Very high	46 Å²	46	52.6 Å²	52.6	28%	0.279	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	156.3	172.6	-62.9	0	0	0	0	110.6	T11 V12 E13 P131 M140	T11-V129 HydrophobicContact CG2-CG1 3.62Å; T11-V129 HydrophobicContact CG2-CG2 4.29Å; V12-V129 WeakPolarHBondContact O-CG2 3.48Å; V12-V129 PolarHBondContact O-N 2.87Å; E13-V129 WeakPolarHBondContact CA-O 3.46Å; V129-P131 WeakPolarHBondContact O-CD 3.38Å; V129-M140 HydrophobicContact CG2-CE 3.47Å; V129-M140 VanDerWaalsContact CG2-CE 3.47Å; V129-M140 HydrophobicContact CG2-SD 3.85Å
130	K	93.5	Very high	96.2	Very high	134 Å²	134	53.1 Å²	53.1	58%	0.583	28%	0.276	S	S	*	.			trans	-116.8	87.2	177.4	-61.9	-178.4	-176.4	-179.1	0	108.5
131	P	93	Very high	96.3	Very high	26 Å²	26	57.9 Å²	57.9	17%	0.169	29%	0.293	C	S	.	.			trans	-56.5	144.9	172.9	-21.5	33.6	0	0	0	110.5	E13 V129 Q136 M140	E13-P131 HydrophobicContact CB-CG 3.94Å; V129-P131 WeakPolarHBondContact O-CD 3.38Å; P131-Q136 HydrophobicContact CB-CB 3.81Å; P131-M140 HydrophobicContact CG-CG 3.9Å
132	V	93.8	Very high	96.3	Very high	127 Å²	127	61 Å²	61	77%	0.77	31%	0.307	S	S	*	.			trans	-104.9	-29.3	-175.7	-177.7	0	0	0	0	111.3
133	T	96.6	Very high	96.3	Very high	68 Å²	68	66 Å²	66	42%	0.417	33%	0.332	S	S	.	.	S	Bend	trans	-119.9	154.3	-177.2	71.4	0	0	0	0	111.8	H135 Q136 H137	T133-H135 PolarHBondContact O-N 3.29Å; T133-Q136 VanDerWaalsContact N-OE1 3.16Å; T133-Q136 WeakPolarHBondContact O-CB 3.44Å; T133-Q136 PolarHBondContact O-N 3.03Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.37Å; T133-Q136 PolarHBondContact OG1-N 2.85Å; T133-H137 PolarHBondContact O-CD2 3.37Å; T133-H137 VanDerWaalsContact O-CD2 3.26Å; T133-H137 PolarHBondContact O-N 2.96Å
134	E	95.8	Very high	96.4	Very high	142 Å²	142	65.2 Å²	65.2	66%	0.664	33%	0.328	S	S	*	.	H	α-helix	trans	-58.6	-33	174.8	-171.3	55.8	-147.7	0	0	112.4	Q136 H137 C138	E134-Q136 PolarHBondContact O-N 3.33Å; E134-H137 WeakPolarHBondContact O-CB 3.46Å; E134-H137 PolarHBondContact O-N 3.29Å; E134-C138 PolarHBondContact O-N 2.96Å
135	H	97.1	Very high	96.4	Very high	129 Å²	129	65.3 Å²	65.3	60%	0.597	33%	0.33	S	S	*	.	H	α-helix	trans	-63.1	-42	174.1	-179.6	57.5	0	0	0	112.1	T133 H137 C138 L139	T133-H135 PolarHBondContact O-N 3.29Å; H135-H137 VanDerWaalsContact C-N 3.34Å; H135-C138 WeakPolarHBondContact O-CB 3.45Å; H135-C138 PolarHBondContact O-N 3.41Å; H135-L139 WeakPolarHBondContact O-CG 3.15Å; H135-L139 PolarHBondContact O-N 3.43Å
136	Q	97.1	Very high	96.5	Very high	82 Å²	82	69.3 Å²	69.3	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-66.4	-37.7	176	-70.3	171.8	-29.7	0	0	111.8	P131 T133 E134 C138 L139 M140	P131-Q136 HydrophobicContact CB-CB 3.81Å; T133-Q136 VanDerWaalsContact N-OE1 3.16Å; T133-Q136 WeakPolarHBondContact O-CB 3.44Å; T133-Q136 PolarHBondContact O-N 3.03Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.37Å; T133-Q136 PolarHBondContact OG1-N 2.85Å; E134-Q136 PolarHBondContact O-N 3.33Å; Q136-C138 VanDerWaalsContact C-N 3.33Å; Q136-L139 PolarHBondContact O-N 2.95Å; Q136-M140 WeakPolarHBondContact O-CB 3.5Å; Q136-M140 VanDerWaalsContact O-CG 3.29Å; Q136-M140 WeakPolarHBondContact O-CG 3.32Å; Q136-M140 PolarHBondContact O-N 2.88Å
137	H	96.9	Very high	96.6	Very high	37 Å²	37	71.3 Å²	71.3	17%	0.171	36%	0.363	C	S	.	.	H	α-helix	trans	-58.8	-43.8	171.9	-80	-62.6	0	0	0	112.3	E13 R15 T133 E134 H135 M140 R141	E13-H137 IonicContact OE1-CE1 3.72Å; E13-H137 IonicContact OE1-CG 2.64Å; E13-H137 IonicContact OE1-ND1 3.86Å; E13-H137 PolarHBondContact OE1-ND1 2.87Å; E13-H137 IonicContact OE2-CE1 2.86Å; E13-H137 PolarHBondContact OE2-CE1 3.23Å; E13-H137 IonicContact OE2-ND1 3.22Å; E13-H137 PolarHBondContact OE2-ND1 2.8Å; R15-H137 VanDerWaalsContact NH2-CB 3.32Å; R15-H137 PolarHBondContact NH2-ND1 3.41Å; T133-H137 PolarHBondContact O-CD2 3.37Å; T133-H137 VanDerWaalsContact O-CD2 3.26Å; T133-H137 PolarHBondContact O-N 2.96Å; E134-H137 WeakPolarHBondContact O-CB 3.46Å; E134-H137 PolarHBondContact O-N 3.29Å; H135-H137 VanDerWaalsContact C-N 3.34Å; H137-M140 PolarHBondContact O-N 3.47Å; H137-R141 PolarHBondContact O-N 2.94Å
138	C	97.3	Very high	96.8	Very high	60 Å²	60	69 Å²	69	41%	0.405	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-45.8	175.8	-168.3	0	0	0	0	112	E134 H135 Q136 M140 R141 E142	E134-C138 PolarHBondContact O-N 2.96Å; H135-C138 WeakPolarHBondContact O-CB 3.45Å; H135-C138 PolarHBondContact O-N 3.41Å; Q136-C138 VanDerWaalsContact C-N 3.33Å; C138-M140 VanDerWaalsContact C-N 3.33Å; C138-M140 PolarHBondContact O-N 3.19Å; C138-R141 WeakPolarHBondContact O-CB 3.38Å; C138-R141 PolarHBondContact O-N 2.93Å; C138-R141 VanDerWaalsContact O-N 3.13Å; C138-E142 PolarHBondContact O-N 2.74Å
139	L	97.5	Very high	97	Very high	69 Å²	69	71 Å²	71	36%	0.361	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-42.5	175.6	-70	175.9	0	0	0	112.1	H135 Q136 R141 E142 M143	H135-L139 WeakPolarHBondContact O-CG 3.15Å; H135-L139 PolarHBondContact O-N 3.43Å; Q136-L139 PolarHBondContact O-N 2.95Å; L139-R141 VanDerWaalsContact C-N 3.3Å; L139-R141 PolarHBondContact O-N 3.21Å; L139-E142 PolarHBondContact O-N 3.25Å; L139-M143 WeakPolarHBondContact O-CB 3.39Å; L139-M143 VanDerWaalsContact O-CG 3.26Å; L139-M143 WeakPolarHBondContact O-CG 3.44Å; L139-M143 PolarHBondContact O-N 2.86Å
140	M	97.8	Very high	97.2	Very high	22 Å²	22	74 Å²	74	11%	0.108	38%	0.377	C	S	.	.	H	α-helix	trans	-61.8	-37.5	176	-74.3	-60.8	-58.9	0	0	112.1	T11 Q16 V129 P131 Q136 H137 C138 E142 V144	T11-M140 WeakPolarHBondContact O-CE 3.37Å; Q16-M140 PolarHBondContact NE2-O 3.41Å; V129-M140 HydrophobicContact CG2-CE 3.47Å; V129-M140 VanDerWaalsContact CG2-CE 3.47Å; V129-M140 HydrophobicContact CG2-SD 3.85Å; P131-M140 HydrophobicContact CG-CG 3.9Å; Q136-M140 WeakPolarHBondContact O-CB 3.5Å; Q136-M140 VanDerWaalsContact O-CG 3.29Å; Q136-M140 WeakPolarHBondContact O-CG 3.32Å; Q136-M140 PolarHBondContact O-N 2.88Å; H137-M140 PolarHBondContact O-N 3.47Å; C138-M140 VanDerWaalsContact C-N 3.33Å; C138-M140 PolarHBondContact O-N 3.19Å; M140-E142 VanDerWaalsContact C-N 3.34Å; M140-E142 PolarHBondContact O-N 2.86Å; M140-V144 HydrophobicContact CE-CG2 3.95Å; M140-V144 VanDerWaalsContact O-CB 3.29Å; M140-V144 WeakPolarHBondContact O-CB 3.2Å; M140-V144 WeakPolarHBondContact O-CG2 3.16Å; M140-V144 PolarHBondContact O-N 3.32Å
141	R	98	Very high	97.4	Very high	102 Å²	102	68.2 Å²	68.2	39%	0.385	35%	0.352	S	S	.	.	H	α-helix	trans	-61	-41.7	177.2	177.4	178.2	177.8	142.6	8.9	112.4	D58 F59 N61 H137 C138 L139 G145	D58-R141 PolarHBondContact O-NH1 2.88Å; F59-R141 WeakPolarHBondContact O-CG 3.37Å; N61-R141 HydrophobicContact CB-CG 4.08Å; N61-R141 PolarHBondContact N-O 2.85Å; N61-R141 VanDerWaalsContact N-O 3.12Å; H137-R141 PolarHBondContact O-N 2.94Å; C138-R141 WeakPolarHBondContact O-CB 3.38Å; C138-R141 PolarHBondContact O-N 2.93Å; C138-R141 VanDerWaalsContact O-N 3.13Å; L139-R141 VanDerWaalsContact C-N 3.3Å; L139-R141 PolarHBondContact O-N 3.21Å; R141-G145 PolarHBondContact O-N 2.95Å
142	E	98.2	Very high	97.7	Very high	100 Å²	100	68.6 Å²	68.6	47%	0.467	35%	0.354	S	S	.	.	H	α-helix	trans	-73.8	-50.7	177.7	-66.4	179.2	168	0	0	111.4	C138 L139 M140 V144 G145 E146	C138-E142 PolarHBondContact O-N 2.74Å; L139-E142 PolarHBondContact O-N 3.25Å; M140-E142 VanDerWaalsContact C-N 3.34Å; M140-E142 PolarHBondContact O-N 2.86Å; E142-V144 VanDerWaalsContact C-N 3.33Å; E142-V144 PolarHBondContact O-N 2.87Å; E142-G145 PolarHBondContact O-N 3.09Å; E142-G145 VanDerWaalsContact O-N 3.1Å; E142-E146 PolarHBondContact O-N 2.83Å
143	M	98.1	Very high	97.9	Very high	107 Å²	107	66 Å²	66	53%	0.527	34%	0.335	S	S	.	.	H	α-helix	trans	-59.3	-41.2	-177.7	-73.8	180	59.6	0	0	113	L139 S147	L139-M143 WeakPolarHBondContact O-CB 3.39Å; L139-M143 VanDerWaalsContact O-CG 3.26Å; L139-M143 WeakPolarHBondContact O-CG 3.44Å; L139-M143 PolarHBondContact O-N 2.86Å; M143-S147 WeakPolarHBondContact O-CB 3.43Å; M143-S147 PolarHBondContact O-N 3.4Å
144	V	98.6	Very high	97.9	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.024	33%	0.33	C	S	.	.	H	α-helix	trans	-69.5	-37	178.3	174.4	0	0	0	0	111	T11 V12 I60 M140 E142 S147 L148	T11-V144 WeakPolarHBondContact O-CG2 3.11Å; V12-V144 HydrophobicContact CG1-CG1 3.91Å; V12-V144 HydrophobicContact CG1-CG2 3.94Å; I60-V144 HydrophobicContact CD1-CG1 3.75Å; I60-V144 HydrophobicContact CG1-CG1 3.99Å; I60-V144 HydrophobicContact CG2-CB 4.44Å; I60-V144 HydrophobicContact CG2-CG1 4.07Å; M140-V144 HydrophobicContact CE-CG2 3.95Å; M140-V144 VanDerWaalsContact O-CB 3.29Å; M140-V144 WeakPolarHBondContact O-CB 3.2Å; M140-V144 WeakPolarHBondContact O-CG2 3.16Å; M140-V144 PolarHBondContact O-N 3.32Å; E142-V144 VanDerWaalsContact C-N 3.33Å; E142-V144 PolarHBondContact O-N 2.87Å; V144-S147 PolarHBondContact O-N 2.72Å; V144-L148 HydrophobicContact CG1-CD1 3.8Å; V144-L148 HydrophobicContact CG1-CG 4.2Å; V144-L148 WeakPolarHBondContact O-CB 3.4Å; V144-L148 VanDerWaalsContact O-CG 3.3Å; V144-L148 WeakPolarHBondContact O-CG 3.2Å; V144-L148 PolarHBondContact O-N 3.08Å
145	G	98.7	Very high	98	Very high	3 Å²	3	58 Å²	58	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-44.5	175.3	0	0	0	0	0	112.4	R141 E142 T149	R141-G145 PolarHBondContact O-N 2.95Å; E142-G145 PolarHBondContact O-N 3.09Å; E142-G145 VanDerWaalsContact O-N 3.1Å; G145-T149 WeakPolarHBondContact O-CB 3.19Å; G145-T149 PolarHBondContact O-N 2.94Å; G145-T149 PolarHBondContact O-OG1 3.43Å
146	E	98.3	Very high	98	Very high	136 Å²	136	54.9 Å²	54.9	64%	0.636	29%	0.29	S	S	*	.	H	α-helix	trans	-63.1	-47.6	174.4	-68.7	-177.4	171.4	0	0	111.8	E142 L148 T149 D150	E142-E146 PolarHBondContact O-N 2.83Å; E146-L148 PolarHBondContact O-N 3.38Å; E146-T149 WeakPolarHBondContact O-CB 3.46Å; E146-T149 PolarHBondContact O-N 3.17Å; E146-T149 VanDerWaalsContact O-N 3.17Å; E146-D150 PolarHBondContact O-N 3.36Å
147	S	98.5	Very high	97.9	Very high	44 Å²	44	58.4 Å²	58.4	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-60.2	-43.1	179.7	178.3	0	0	0	0	112.6	M143 V144 D150 I151	M143-S147 WeakPolarHBondContact O-CB 3.43Å; M143-S147 PolarHBondContact O-N 3.4Å; V144-S147 PolarHBondContact O-N 2.72Å; S147-D150 PolarHBondContact O-N 3.21Å; S147-I151 WeakPolarHBondContact O-CG1 3.25Å; S147-I151 PolarHBondContact O-N 3.45Å; S147-I151 VanDerWaalsContact O-N 3.08Å
148	L	98.8	Very high	97.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-69	-35.8	176.9	-72.5	173.6	0	0	0	112.1	I10 A20 C23 I24 I60 L62 V144 E146 D150 I151 V152	I10-L148 HydrophobicContact CG2-CD2 4.25Å; A20-L148 HydrophobicContact CB-CD1 3.89Å; A20-L148 HydrophobicContact CB-CD2 4.16Å; C23-L148 HydrophobicContact CB-CD1 4.5Å; I24-L148 HydrophobicContact CD1-CD2 3.85Å; I24-L148 HydrophobicContact CG1-CD2 3.9Å; I60-L148 HydrophobicContact CD1-CD1 3.73Å; I60-L148 HydrophobicContact CG2-CD1 4.15Å; L62-L148 HydrophobicContact CD2-CB 3.63Å; L62-L148 HydrophobicContact CD2-CD1 3.97Å; L62-L148 HydrophobicContact CD2-CG 4.48Å; V144-L148 HydrophobicContact CG1-CD1 3.8Å; V144-L148 HydrophobicContact CG1-CG 4.2Å; V144-L148 WeakPolarHBondContact O-CB 3.4Å; V144-L148 VanDerWaalsContact O-CG 3.3Å; V144-L148 WeakPolarHBondContact O-CG 3.2Å; V144-L148 PolarHBondContact O-N 3.08Å; E146-L148 PolarHBondContact O-N 3.38Å; L148-D150 VanDerWaalsContact C-N 3.31Å; L148-D150 PolarHBondContact O-N 3.46Å; L148-I151 HydrophobicContact CD2-CD1 4.42Å; L148-I151 PolarHBondContact O-N 3.04Å; L148-V152 WeakPolarHBondContact O-CB 3.48Å; L148-V152 WeakPolarHBondContact O-CG2 3.28Å; L148-V152 PolarHBondContact O-N 3.49Å
149	T	98.6	Very high	97.7	Very high	54 Å²	54	54.5 Å²	54.5	33%	0.331	28%	0.277	S	S	.	.	H	α-helix	trans	-57.9	-46.3	173.2	-61.5	0	0	0	0	110.8	G145 E146 I151 V152 L153	G145-T149 WeakPolarHBondContact O-CB 3.19Å; G145-T149 PolarHBondContact O-N 2.94Å; G145-T149 PolarHBondContact O-OG1 3.43Å; E146-T149 WeakPolarHBondContact O-CB 3.46Å; E146-T149 PolarHBondContact O-N 3.17Å; E146-T149 VanDerWaalsContact O-N 3.17Å; T149-I151 PolarHBondContact O-N 3.44Å; T149-V152 PolarHBondContact O-N 2.77Å; T149-L153 HydrophobicContact CG2-CD1 4.01Å; T149-L153 HydrophobicContact CG2-CG 4.46Å; T149-L153 WeakPolarHBondContact O-CB 3.42Å; T149-L153 VanDerWaalsContact O-CG 3.26Å; T149-L153 WeakPolarHBondContact O-CG 3.16Å; T149-L153 PolarHBondContact O-N 2.99Å
150	D	98.4	Very high	97.5	Very high	108 Å²	108	56.1 Å²	56.1	58%	0.578	29%	0.286	S	S	*	.	H	α-helix	trans	-62.7	-40.8	176.5	-80.2	-21.9	0	0	0	112.5	E146 S147 L148 S154	E146-D150 PolarHBondContact O-N 3.36Å; S147-D150 PolarHBondContact O-N 3.21Å; L148-D150 VanDerWaalsContact C-N 3.31Å; L148-D150 PolarHBondContact O-N 3.46Å; D150-S154 VanDerWaalsContact O-CB 3.25Å; D150-S154 WeakPolarHBondContact O-CB 3.37Å; D150-S154 PolarHBondContact O-N 3.38Å
151	I	98.6	Very high	97.1	Very high	13 Å²	13	63 Å²	63	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-50.1	176.1	-70.4	167.1	0	0	0	110.8	F8 I10 I24 S147 L148 T149 L153 S154 I155	F8-I151 HydrophobicContact CB-CD1 4.15Å; F8-I151 HydrophobicContact CB-CG1 4.45Å; F8-I151 HydrophobicContact CD1-CG1 4.07Å; F8-I151 HydrophobicContact CD1-CG2 4.09Å; F8-I151 HydrophobicContact CD2-CG2 3.83Å; F8-I151 HydrophobicContact CE1-CG2 4.16Å; F8-I151 HydrophobicContact CE2-CG2 3.87Å; F8-I151 HydrophobicContact CG-CD1 4.47Å; F8-I151 HydrophobicContact CG-CG1 4.28Å; F8-I151 HydrophobicContact CG-CG2 3.93Å; F8-I151 HydrophobicContact CZ-CG2 4.03Å; I10-I151 HydrophobicContact CG2-CD1 3.45Å; I10-I151 VanDerWaalsContact CG2-CD1 3.45Å; I24-I151 HydrophobicContact CD1-CD1 4.29Å; I24-I151 HydrophobicContact CD1-CG2 4.1Å; I24-I151 HydrophobicContact CG1-CG2 3.95Å; S147-I151 WeakPolarHBondContact O-CG1 3.25Å; S147-I151 PolarHBondContact O-N 3.45Å; S147-I151 VanDerWaalsContact O-N 3.08Å; L148-I151 HydrophobicContact CD2-CD1 4.42Å; L148-I151 PolarHBondContact O-N 3.04Å; T149-I151 PolarHBondContact O-N 3.44Å; I151-L153 VanDerWaalsContact C-N 3.35Å; I151-L153 PolarHBondContact O-N 3.47Å; I151-S154 WeakPolarHBondContact O-CA 3.25Å; I151-S154 VanDerWaalsContact O-CB 3.32Å; I151-S154 WeakPolarHBondContact O-CB 3.4Å; I151-S154 PolarHBondContact O-N 2.86Å; I151-S154 VanDerWaalsContact O-N 3.08Å; I151-I155 HydrophobicContact CG2-CD1 3.94Å; I151-I155 HydrophobicContact CG2-CG1 4.48Å; I151-I155 WeakPolarHBondContact O-CG1 3.48Å; I151-I155 PolarHBondContact O-N 2.68Å
152	V	98.4	Very high	96.6	Very high	33 Å²	33	64.9 Å²	64.9	20%	0.2	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-46.6	178.8	168.4	0	0	0	0	110.6	T27 L148 T149 S154 I155 C156	T27-V152 HydrophobicContact CG2-CG1 4.23Å; L148-V152 WeakPolarHBondContact O-CB 3.48Å; L148-V152 WeakPolarHBondContact O-CG2 3.28Å; L148-V152 PolarHBondContact O-N 3.49Å; T149-V152 PolarHBondContact O-N 2.77Å; V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.31Å; V152-I155 WeakPolarHBondContact O-CB 3.34Å; V152-I155 PolarHBondContact O-N 3.05Å; V152-C156 PolarHBondContact O-N 3.38Å; V152-C156 PolarHBondContact O-SG 2.89Å
153	L	97.9	Very high	96.1	Very high	72 Å²	72	63 Å²	63	38%	0.377	33%	0.328	S	S	.	.	H	α-helix	trans	-64.1	-35.8	176.3	-68.7	175.7	0	0	0	112.1	T149 I151 C156 R157	T149-L153 HydrophobicContact CG2-CD1 4.01Å; T149-L153 HydrophobicContact CG2-CG 4.46Å; T149-L153 WeakPolarHBondContact O-CB 3.42Å; T149-L153 VanDerWaalsContact O-CG 3.26Å; T149-L153 WeakPolarHBondContact O-CG 3.16Å; T149-L153 PolarHBondContact O-N 2.99Å; I151-L153 VanDerWaalsContact C-N 3.35Å; I151-L153 PolarHBondContact O-N 3.47Å; L153-C156 PolarHBondContact O-N 2.86Å; L153-R157 WeakPolarHBondContact O-CB 3.26Å; L153-R157 WeakPolarHBondContact O-CG 3.44Å; L153-R157 PolarHBondContact O-N 2.93Å
154	S	97.8	Very high	95.8	Very high	44 Å²	44	61.6 Å²	61.6	31%	0.308	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-43.3	174.1	-171.7	0	0	0	0	112.1	D150 I151 V152 R157 S158	D150-S154 VanDerWaalsContact O-CB 3.25Å; D150-S154 WeakPolarHBondContact O-CB 3.37Å; D150-S154 PolarHBondContact O-N 3.38Å; I151-S154 WeakPolarHBondContact O-CA 3.25Å; I151-S154 VanDerWaalsContact O-CB 3.32Å; I151-S154 WeakPolarHBondContact O-CB 3.4Å; I151-S154 PolarHBondContact O-N 2.86Å; I151-S154 VanDerWaalsContact O-N 3.08Å; V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.31Å; S154-R157 PolarHBondContact O-N 3.46Å; S154-S158 WeakPolarHBondContact O-CB 3.41Å; S154-S158 PolarHBondContact O-N 3Å; S154-S158 VanDerWaalsContact O-N 3.13Å; S154-S158 PolarHBondContact O-OG 2.78Å
155	I	98.1	Very high	95.6	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.2	-55.5	173.3	-67.7	166.6	0	0	0	109.2	F8 I24 T27 L28 W122 I151 V152 R157 S158 I159	F8-I155 HydrophobicContact CE2-CD1 3.92Å; F8-I155 HydrophobicContact CE2-CG1 3.75Å; F8-I155 HydrophobicContact CZ-CD1 4.29Å; F8-I155 HydrophobicContact CZ-CG1 3.67Å; I24-I155 HydrophobicContact CG2-CD1 4.01Å; T27-I155 HydrophobicContact CG2-CB 4.39Å; T27-I155 HydrophobicContact CG2-CD1 4.36Å; T27-I155 HydrophobicContact CG2-CG2 3.96Å; L28-I155 HydrophobicContact CD2-CD1 3.99Å; L28-I155 HydrophobicContact CD2-CG1 4.21Å; L28-I155 HydrophobicContact CD2-CG2 3.77Å; L28-I155 HydrophobicContact CG-CD1 4.26Å; W122-I155 HydrophobicContact CE3-CG1 4.42Å; W122-I155 HydrophobicContact CH2-CG1 4.35Å; W122-I155 HydrophobicContact CH2-CG2 4.48Å; W122-I155 HydrophobicContact CZ3-CG1 3.84Å; I151-I155 HydrophobicContact CG2-CD1 3.94Å; I151-I155 HydrophobicContact CG2-CG1 4.48Å; I151-I155 WeakPolarHBondContact O-CG1 3.48Å; I151-I155 PolarHBondContact O-N 2.68Å; V152-I155 WeakPolarHBondContact O-CB 3.34Å; V152-I155 PolarHBondContact O-N 3.05Å; I155-R157 PolarHBondContact O-N 3.43Å; I155-R157 VanDerWaalsContact O-N 3.12Å; I155-S158 PolarHBondContact O-N 3.41Å; I155-S158 PolarHBondContact O-OG 2.77Å; I155-I159 HydrophobicContact CG2-CB 4.07Å; I155-I159 HydrophobicContact CG2-CD1 3.73Å; I155-I159 HydrophobicContact CG2-CG2 4.31Å; I155-I159 VanDerWaalsContact O-CB 3.25Å; I155-I159 WeakPolarHBondContact O-CB 3.33Å; I155-I159 WeakPolarHBondContact O-CG2 3.25Å; I155-I159 PolarHBondContact O-N 2.91Å
156	C	96.7	Very high	95.4	Very high	63 Å²	63	65 Å²	65	43%	0.426	34%	0.335	S	S	.	.	H	α-helix	trans	-54.9	-35.7	-179.4	-69.5	0	0	0	0	113.2	V152 L153	V152-C156 PolarHBondContact O-N 3.38Å; V152-C156 PolarHBondContact O-SG 2.89Å; L153-C156 PolarHBondContact O-N 2.86Å
157	R	95.3	Very high	95.1	Very high	156 Å²	156	67 Å²	67	59%	0.589	34%	0.342	S	S	*	.	H	α-helix	trans	-77.1	-21.5	178.4	-71.4	172.1	-164.3	131.8	-1.9	114.4	L153 S154 I155 R161	L153-R157 WeakPolarHBondContact O-CB 3.26Å; L153-R157 WeakPolarHBondContact O-CG 3.44Å; L153-R157 PolarHBondContact O-N 2.93Å; S154-R157 PolarHBondContact O-N 3.46Å; I155-R157 PolarHBondContact O-N 3.43Å; I155-R157 VanDerWaalsContact O-N 3.12Å; R157-R161 PolarHBondContact O-NE 3Å
158	S	94.1	Very high	94.9	Very high	14 Å²	14	68.8 Å²	68.8	10%	0.098	35%	0.346	C	S	.	.	H	α-helix	trans	-118.3	-31.2	-167.7	68.9	0	0	0	0	114.2	Q6 S154 I155 N160 R161	Q6-S158 PolarHBondContact NE2-OG 2.94Å; Q6-S158 VanDerWaalsContact NE2-OG 3.17Å; Q6-S158 PolarHBondContact OE1-OG 3.27Å; S154-S158 WeakPolarHBondContact O-CB 3.41Å; S154-S158 PolarHBondContact O-N 3Å; S154-S158 VanDerWaalsContact O-N 3.13Å; S154-S158 PolarHBondContact O-OG 2.78Å; I155-S158 PolarHBondContact O-N 3.41Å; I155-S158 PolarHBondContact O-OG 2.77Å; S158-N160 PolarHBondContact O-N 3.4Å; S158-N160 VanDerWaalsContact O-N 3.14Å; S158-R161 WeakPolarHBondContact O-CB 3.48Å; S158-R161 WeakPolarHBondContact O-CG 3.25Å; S158-R161 PolarHBondContact O-N 3.47Å
159	I	95.5	Very high	94.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.3	-169.9	-166.6	154.2	0	0	0	113.6	L28 H31 R32 W122 I155 M163	L28-I159 HydrophobicContact CD2-CD1 3.68Å; H31-I159 HydrophobicContact CB-CD1 3.51Å; H31-I159 HydrophobicContact CB-CG1 4.09Å; H31-I159 HydrophobicContact CB-CG2 4.22Å; R32-I159 VanDerWaalsContact CZ-CG1 3.44Å; R32-I159 PolarHBondContact NH2-O 2.86Å; W122-I159 HydrophobicContact CH2-CB 4.29Å; W122-I159 HydrophobicContact CH2-CG1 4.49Å; W122-I159 HydrophobicContact CZ2-CB 4.12Å; W122-I159 HydrophobicContact CZ2-CD1 3.95Å; W122-I159 HydrophobicContact CZ2-CG1 3.86Å; I155-I159 HydrophobicContact CG2-CB 4.07Å; I155-I159 HydrophobicContact CG2-CD1 3.73Å; I155-I159 HydrophobicContact CG2-CG2 4.31Å; I155-I159 VanDerWaalsContact O-CB 3.25Å; I155-I159 WeakPolarHBondContact O-CB 3.33Å; I155-I159 WeakPolarHBondContact O-CG2 3.25Å; I155-I159 PolarHBondContact O-N 2.91Å; I159-M163 VanDerWaalsContact O-SD 3.42Å
160	N	92.6	Very high	94.2	Very high	103 Å²	103	70.8 Å²	70.8	55%	0.551	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	14.6	178.7	-65.5	-32.7	0	0	0	113.3	R32 S158	R32-N160 PolarHBondContact NH1-OD1 3.5Å; R32-N160 VanDerWaalsContact NH1-OD1 3.15Å; S158-N160 PolarHBondContact O-N 3.4Å; S158-N160 VanDerWaalsContact O-N 3.14Å
161	R	90.7	Very high	94	Very high	166 Å²	166	71.9 Å²	71.9	63%	0.626	36%	0.36	S	S	*	.	S	Bend	trans	-59.6	155.4	168.2	-73.7	-177.6	179.9	-164.8	-1.4	109.5	R157 S158 M163	R157-R161 PolarHBondContact O-NE 3Å; S158-R161 WeakPolarHBondContact O-CB 3.48Å; S158-R161 WeakPolarHBondContact O-CG 3.25Å; S158-R161 PolarHBondContact O-N 3.47Å; R161-M163 WeakPolarHBondContact O-CG 3.4Å; R161-M163 PolarHBondContact O-N 3.1Å
162	P	87.3	Confident	93.6	Very high	143 Å²	143	75.6 Å²	75.6	93%	0.929	39%	0.387	S	S	*	.	S	Bend	trans	-51.5	106.2	-180	-27.4	35.1	0	0	0	111.4
163	M	87.2	Confident	93.4	Very high	59 Å²	59	78.2 Å²	78.2	29%	0.291	40%	0.397	S	S	.	.			trans	-144.7	163.9	178.6	72.1	-173.3	-57	0	0	108.6	A4 E120 I159 R161 L165	A4-M163 HydrophobicContact CB-CE 3.44Å; A4-M163 VanDerWaalsContact CB-CE 3.44Å; E120-M163 HydrophobicContact CB-CE 4.16Å; E120-M163 HydrophobicContact CG-CE 3.99Å; I159-M163 VanDerWaalsContact O-SD 3.42Å; R161-M163 WeakPolarHBondContact O-CG 3.4Å; R161-M163 PolarHBondContact O-N 3.1Å; M163-L165 PolarHBondContact O-N 3.32Å
164	Y	91.5	Very high	93.2	Very high	79 Å²	79	75.9 Å²	75.9	31%	0.31	39%	0.385	S	S	.	.			trans	-67.7	130.1	174.6	173.6	-94.7	0	0	0	110.1	M1 E104 W119 P166	M1-Y164 HydrophobicContact SD-CD1 4.44Å; M1-Y164 HydrophobicContact SD-CD2 4.47Å; M1-Y164 HydrophobicContact SD-CG 4.24Å; E104-Y164 PolarHBondContact OE1-OH 3.37Å; E104-Y164 VanDerWaalsContact OE1-OH 3.11Å; E104-Y164 PolarHBondContact OE2-OH 3Å; E104-Y164 VanDerWaalsContact OE2-OH 3.07Å; W119-Y164 HydrophobicContact CB-CD1 3.75Å; W119-Y164 HydrophobicContact CB-CE1 4Å; W119-Y164 HydrophobicContact CG-CD1 4.27Å; W119-Y164 HydrophobicContact CG-CE1 4.27Å; Y164-P166 HydrophobicContact CE1-CG 4.41Å
165	L	93.7	Very high	93.1	Very high	71 Å²	71	76.3 Å²	76.3	37%	0.372	39%	0.388	S	S	.	.			trans	-121.5	144.4	164.1	-66.4	176.9	0	0	0	108	W119 M163	W119-L165 HydrophobicContact CE3-CD2 4.3Å; W119-L165 HydrophobicContact CH2-CD2 3.85Å; W119-L165 HydrophobicContact CZ3-CD2 3.48Å; W119-L165 VanDerWaalsContact CZ3-CD2 3.48Å; M163-L165 PolarHBondContact O-N 3.32Å
166	P	94.6	Very high	93	Very high	6 Å²	6	76.9 Å²	76.9	4%	0.039	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-53.3	144.9	171.2	-26.5	35.3	0	0	0	111.6	E104 W119 Y164 V177 Y188	E104-P166 HydrophobicContact CB-CG 4.34Å; W119-P166 HydrophobicContact CD2-CG 4.29Å; W119-P166 HydrophobicContact CG-CG 4.47Å; W119-P166 HydrophobicContact CZ2-CG 4.04Å; Y164-P166 HydrophobicContact CE1-CG 4.41Å; P166-V177 HydrophobicContact CB-CG1 3.5Å; P166-V177 HydrophobicContact CB-CG2 4.29Å; P166-V177 HydrophobicContact CG-CG1 4.16Å; P166-Y188 HydrophobicContact CB-CE1 4.09Å; P166-Y188 HydrophobicContact CG-CD1 4.16Å; P166-Y188 HydrophobicContact CG-CE1 3.97Å
167	K	93.2	Very high	93	Very high	179 Å²	179	74.4 Å²	74.4	78%	0.778	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-70.1	151.9	175	-66.5	-177.2	-179.9	-180	0	109.6	P169	K167-P169 WeakPolarHBondContact O-CD 3.27Å
168	M	93.8	Very high	93.2	Very high	82 Å²	82	67 Å²	67	40%	0.404	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-59.7	120.6	172.2	-74.5	-62.8	145.8	0	0	110.4	M34 F37 F45 F178	M34-M168 HydrophobicContact CE-CE 3.36Å; M34-M168 HydrophobicContact SD-CE 3.58Å; M34-M168 VanDerWaalsContact SD-CE 3.58Å; M34-M168 HydrophobicContact SD-SD 4.28Å; F37-M168 HydrophobicContact CE1-SD 3.92Å; F37-M168 HydrophobicContact CZ-SD 3.91Å; F45-M168 HydrophobicContact CZ-CB 4.38Å; F45-M168 HydrophobicContact CZ-CG 4.39Å; M168-F178 HydrophobicContact CE-CZ 4.04Å; M168-F178 HydrophobicContact SD-CE2 4.26Å; M168-F178 HydrophobicContact SD-CZ 4.18Å
169	P	92	Very high	93.3	Very high	11 Å²	11	66.8 Å²	66.8	7%	0.071	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-82.5	156.1	-177.4	34.7	-36.7	0	0	0	111.7	Y39 K167 E173 L174 V177 F178	Y39-P169 PolarHBondContact OH-O 3Å; K167-P169 WeakPolarHBondContact O-CD 3.27Å; P169-E173 HydrophobicContact CB-CB 3.93Å; P169-L174 HydrophobicContact CG-CD1 4.01Å; P169-V177 HydrophobicContact CB-CG2 4.08Å; P169-V177 HydrophobicContact CG-CB 4.07Å; P169-V177 HydrophobicContact CG-CG2 4.09Å; P169-F178 HydrophobicContact CG-CD2 4.08Å; P169-F178 HydrophobicContact CG-CE2 4.08Å
170	V	91.3	Very high	93.4	Very high	85 Å²	85	70 Å²	70	52%	0.515	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-69.1	162.4	162.2	-65	0	0	0	0	110.2	S172 E173 L174	V170-S172 VanDerWaalsContact C-N 3.25Å; V170-S172 WeakPolarHBondContact CG2-OG 3.29Å; V170-S172 PolarHBondContact O-N 2.77Å; V170-S172 VanDerWaalsContact O-N 3.14Å; V170-E173 HydrophobicContact CG2-CB 4.01Å; V170-E173 HydrophobicContact CG2-CG 3.81Å; V170-E173 CarbonylContact O-C 3.48Å; V170-E173 WeakPolarHBondContact O-CA 3.48Å; V170-E173 PolarHBondContact O-N 3.04Å; V170-L174 PolarHBondContact O-N 3.27Å; V170-L174 VanDerWaalsContact O-N 3.12Å
171	Q	92.9	Very high	93.6	Very high	130 Å²	130	72.9 Å²	72.9	61%	0.607	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-52.7	-41	-175.7	-171.1	175.3	10.1	0	0	113.7	Y39 E173 L174	Y39-Q171 HydrophobicContact CD1-CB 3.73Å; Y39-Q171 HydrophobicContact CD1-CG 4.42Å; Y39-Q171 HydrophobicContact CD2-CB 3.76Å; Y39-Q171 HydrophobicContact CD2-CG 3.59Å; Y39-Q171 HydrophobicContact CE1-CB 3.94Å; Y39-Q171 HydrophobicContact CE2-CB 3.96Å; Y39-Q171 HydrophobicContact CE2-CG 4Å; Y39-Q171 HydrophobicContact CG-CB 3.64Å; Y39-Q171 HydrophobicContact CG-CG 3.82Å; Q171-E173 PolarHBondContact O-N 3.27Å; Q171-L174 WeakPolarHBondContact O-CB 3.24Å; Q171-L174 PolarHBondContact O-N 3.41Å
172	S	91.9	Very high	93.8	Very high	92 Å²	92	65.5 Å²	65.5	64%	0.643	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-69	-14.4	179.7	52.8	0	0	0	0	114.1	V170	V170-S172 VanDerWaalsContact C-N 3.25Å; V170-S172 WeakPolarHBondContact CG2-OG 3.29Å; V170-S172 PolarHBondContact O-N 2.77Å; V170-S172 VanDerWaalsContact O-N 3.14Å
173	E	92.7	Very high	94.2	Very high	88 Å²	88	62.5 Å²	62.5	41%	0.411	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-114.5	2.4	-178.1	-65.5	-177.1	163.7	0	0	112.1	P169 V170 Q171 S175 L176	P169-E173 HydrophobicContact CB-CB 3.93Å; V170-E173 HydrophobicContact CG2-CB 4.01Å; V170-E173 HydrophobicContact CG2-CG 3.81Å; V170-E173 CarbonylContact O-C 3.48Å; V170-E173 WeakPolarHBondContact O-CA 3.48Å; V170-E173 PolarHBondContact O-N 3.04Å; Q171-E173 PolarHBondContact O-N 3.27Å; E173-S175 PolarHBondContact O-N 3.06Å; E173-L176 HydrophobicContact CB-CD1 3.99Å; E173-L176 HydrophobicContact CB-CG 4.46Å; E173-L176 HydrophobicContact CG-CD1 4.01Å; E173-L176 VanDerWaalsContact O-CB 3.23Å; E173-L176 WeakPolarHBondContact O-CB 3.32Å; E173-L176 PolarHBondContact O-N 3.49Å
174	L	95	Very high	94.6	Very high	22 Å²	22	62.5 Å²	62.5	12%	0.115	32%	0.323	C	S	.	.	H	α-helix	trans	-53.8	-43.2	-176.6	-177.2	70.2	0	0	0	112	F37 Y39 P169 V170 Q171 L176 V177 F178 T180	F37-L174 HydrophobicContact CB-CD2 4.43Å; F37-L174 HydrophobicContact CD1-CD1 4.28Å; F37-L174 HydrophobicContact CD2-CD1 4.04Å; F37-L174 HydrophobicContact CE2-CD1 4.27Å; F37-L174 HydrophobicContact CG-CD1 4.03Å; Y39-L174 HydrophobicContact CE2-CD1 4.49Å; Y39-L174 HydrophobicContact CE2-CD2 4.25Å; P169-L174 HydrophobicContact CG-CD1 4.01Å; V170-L174 PolarHBondContact O-N 3.27Å; V170-L174 VanDerWaalsContact O-N 3.12Å; Q171-L174 WeakPolarHBondContact O-CB 3.24Å; Q171-L174 PolarHBondContact O-N 3.41Å; L174-L176 PolarHBondContact O-N 3.47Å; L174-V177 PolarHBondContact O-N 3.27Å; L174-V177 VanDerWaalsContact O-N 3.13Å; L174-F178 HydrophobicContact CD1-CB 4.29Å; L174-F178 HydrophobicContact CD1-CD2 3.66Å; L174-F178 HydrophobicContact CD1-CE2 4.41Å; L174-F178 HydrophobicContact CD1-CG 4.29Å; L174-F178 PolarHBondContact O-N 2.95Å; L174-T180 HydrophobicContact CD2-CG2 3.81Å; L174-T180 HydrophobicContact CG-CG2 3.94Å
175	S	95.7	Very high	94.9	Very high	53 Å²	53	58.8 Å²	58.8	37%	0.371	31%	0.308	S	S	.	.	H	α-helix	trans	-71.5	-6.6	179.5	60.7	0	0	0	0	114.7	E173 F178	E173-S175 PolarHBondContact O-N 3.06Å; S175-F178 WeakPolarHBondContact CA-O 3.46Å
176	L	95.7	Very high	95.1	Very high	13 Å²	13	55.4 Å²	55.4	7%	0.068	29%	0.291	C	S	.	.	H	α-helix	trans	-83.3	-18.7	171.9	-58.5	-179.1	0	0	0	112.2	K105 E173 L174 L189	K105-L176 HydrophobicContact CB-CB 4.33Å; K105-L176 HydrophobicContact CB-CD2 3.86Å; K105-L176 PolarHBondContact N-O 3.03Å; E173-L176 HydrophobicContact CB-CD1 3.99Å; E173-L176 HydrophobicContact CB-CG 4.46Å; E173-L176 HydrophobicContact CG-CD1 4.01Å; E173-L176 VanDerWaalsContact O-CB 3.23Å; E173-L176 WeakPolarHBondContact O-CB 3.32Å; E173-L176 PolarHBondContact O-N 3.49Å; L174-L176 PolarHBondContact O-N 3.47Å; L176-L189 WeakPolarHBondContact O-CD1 3.32Å
177	V	97.2	Very high	95.3	Very high	11 Å²	11	55.1 Å²	55.1	7%	0.067	29%	0.289	C	S	.	.	H	α-helix	trans	-119.9	-37.8	-175.7	178.7	0	0	0	0	111.8	P166 P169 L174 Y188 L189	P166-V177 HydrophobicContact CB-CG1 3.5Å; P166-V177 HydrophobicContact CB-CG2 4.29Å; P166-V177 HydrophobicContact CG-CG1 4.16Å; P169-V177 HydrophobicContact CB-CG2 4.08Å; P169-V177 HydrophobicContact CG-CB 4.07Å; P169-V177 HydrophobicContact CG-CG2 4.09Å; L174-V177 PolarHBondContact O-N 3.27Å; L174-V177 VanDerWaalsContact O-N 3.13Å; V177-Y188 HydrophobicContact CG1-CD1 3.65Å; V177-Y188 HydrophobicContact CG1-CE1 3.6Å; V177-Y188 CarbonylContact O-C 3.59Å; V177-Y188 WeakPolarHBondContact O-CA 3.37Å; V177-L189 PolarHBondContact O-N 3.04Å
178	F	97.9	Very high	95.5	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-120.3	151.1	-175.4	-62.4	-86.1	0	0	0	112.5	M34 F37 M168 P169 L174 S175 T180 Q186 P187 Y188	M34-F178 HydrophobicContact CG-CE1 4.12Å; M34-F178 HydrophobicContact SD-CE1 4.02Å; M34-F178 HydrophobicContact SD-CZ 3.89Å; F37-F178 HydrophobicContact CE2-CD2 4.36Å; F37-F178 HydrophobicContact CE2-CE1 4.43Å; F37-F178 HydrophobicContact CE2-CE2 4.21Å; F37-F178 HydrophobicContact CE2-CZ 4.25Å; F37-F178 HydrophobicContact CZ-CD2 4.34Å; F37-F178 HydrophobicContact CZ-CE1 4.46Å; F37-F178 AromaticContact CZ-CE2 3.79Å; F37-F178 HydrophobicContact CZ-CE2 3.79Å; F37-F178 AromaticContact CZ-CZ 3.88Å; F37-F178 HydrophobicContact CZ-CZ 3.88Å; M168-F178 HydrophobicContact CE-CZ 4.04Å; M168-F178 HydrophobicContact SD-CE2 4.26Å; M168-F178 HydrophobicContact SD-CZ 4.18Å; P169-F178 HydrophobicContact CG-CD2 4.08Å; P169-F178 HydrophobicContact CG-CE2 4.08Å; L174-F178 HydrophobicContact CD1-CB 4.29Å; L174-F178 HydrophobicContact CD1-CD2 3.66Å; L174-F178 HydrophobicContact CD1-CE2 4.41Å; L174-F178 HydrophobicContact CD1-CG 4.29Å; L174-F178 PolarHBondContact O-N 2.95Å; S175-F178 WeakPolarHBondContact CA-O 3.46Å; F178-T180 PolarHBondContact O-N 2.94Å; F178-Q186 HydrophobicContact CB-CG 3.79Å; F178-Q186 HydrophobicContact CD1-CG 4.19Å; F178-Q186 HydrophobicContact CG-CG 4.1Å; F178-P187 CarbonylContact C-O 3.57Å; F178-P187 VanDerWaalsContact CA-O 3.29Å; F178-P187 WeakPolarHBondContact CA-O 3.2Å; F178-P187 WeakPolarHBondContact CB-O 3.46Å; F178-P187 WeakPolarHBondContact CD1-O 3.3Å; F178-Y188 HydrophobicContact CD1-CD1 4.05Å; F178-Y188 HydrophobicContact CD1-CE1 4.37Å; F178-Y188 HydrophobicContact CD1-CG 4.26Å; F178-Y188 AromaticContact CE1-CD1 3.68Å; F178-Y188 HydrophobicContact CE1-CD1 3.68Å; F178-Y188 HydrophobicContact CE1-CD2 4.19Å; F178-Y188 AromaticContact CE1-CE1 3.58Å; F178-Y188 HydrophobicContact CE1-CE1 3.58Å; F178-Y188 HydrophobicContact CE1-CE2 4.1Å; F178-Y188 AromaticContact CE1-CG 3.98Å; F178-Y188 HydrophobicContact CE1-CG 3.98Å; F178-Y188 AromaticContact CE1-CZ 3.8Å; F178-Y188 HydrophobicContact CE2-CE1 4.31Å; F178-Y188 HydrophobicContact CZ-CD1 4.05Å; F178-Y188 AromaticContact CZ-CE1 3.54Å; F178-Y188 HydrophobicContact CZ-CE1 3.54Å; F178-Y188 AromaticContact CZ-CZ 3.84Å
179	D	97.6	Very high	95.7	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.048	24%	0.237	C	C	.	.			trans	-82.1	103.1	175.5	-171.3	-14.8	0	0	0	111.3	R181 F182 Q186 P187 L189	D179-R181 VanDerWaalsContact CG-NE 3.35Å; D179-R181 PolarHBondContact O-N 3.05Å; D179-R181 VanDerWaalsContact OD1-CB 3.24Å; D179-R181 WeakPolarHBondContact OD1-CB 3.29Å; D179-R181 WeakPolarHBondContact OD1-CG 3.4Å; D179-R181 IonicContact OD1-CZ 3.82Å; D179-R181 PolarHBondContact OD1-N 3.29Å; D179-R181 IonicContact OD1-NE 2.73Å; D179-R181 PolarHBondContact OD1-NE 3.24Å; D179-R181 IonicContact OD2-CZ 3.72Å; D179-R181 VanDerWaalsContact OD2-CZ 3.22Å; D179-R181 IonicContact OD2-NE 2.84Å; D179-R181 PolarHBondContact OD2-NE 2.93Å; D179-R181 IonicContact OD2-NH2 3.7Å; D179-R181 PolarHBondContact OD2-NH2 3.09Å; D179-F182 HydrophobicContact CB-CD2 4.44Å; D179-F182 HydrophobicContact CB-CE2 4.22Å; D179-F182 WeakPolarHBondContact OD2-CE2 3.39Å; D179-Q186 PolarHBondContact O-NE2 3.12Å; D179-P187 HydrophobicContact CB-CG 4.06Å; D179-P187 PolarHBondContact N-O 2.67Å; D179-L189 HydrophobicContact CB-CD2 4.15Å
180	T	96.3	Very high	96	Very high	67 Å²	67	43.9 Å²	43.9	41%	0.411	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	8.3	-175.2	62.7	0	0	0	0	114.2	L174 F178 Q186	L174-T180 HydrophobicContact CD2-CG2 3.81Å; L174-T180 HydrophobicContact CG-CG2 3.94Å; F178-T180 PolarHBondContact O-N 2.94Å; T180-Q186 VanDerWaalsContact CA-NE2 3.34Å
181	R	96.5	Very high	96.3	Very high	163 Å²	163	42.2 Å²	42.2	62%	0.615	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-30.5	-176.9	-65.2	178.2	-62.9	167.1	4.1	113.5	D179	D179-R181 VanDerWaalsContact CG-NE 3.35Å; D179-R181 PolarHBondContact O-N 3.05Å; D179-R181 VanDerWaalsContact OD1-CB 3.24Å; D179-R181 WeakPolarHBondContact OD1-CB 3.29Å; D179-R181 WeakPolarHBondContact OD1-CG 3.4Å; D179-R181 IonicContact OD1-CZ 3.82Å; D179-R181 PolarHBondContact OD1-N 3.29Å; D179-R181 IonicContact OD1-NE 2.73Å; D179-R181 PolarHBondContact OD1-NE 3.24Å; D179-R181 IonicContact OD2-CZ 3.72Å; D179-R181 VanDerWaalsContact OD2-CZ 3.22Å; D179-R181 IonicContact OD2-NE 2.84Å; D179-R181 PolarHBondContact OD2-NE 2.93Å; D179-R181 IonicContact OD2-NH2 3.7Å; D179-R181 PolarHBondContact OD2-NH2 3.09Å
182	F	96.8	Very high	96.6	Very high	11 Å²	11	37.1 Å²	37.1	5%	0.048	20%	0.2	C	C	.	.			trans	-81.6	141.6	-175.9	-54.7	-77.3	0	0	0	111.9	K36 E71 L72 M75 D179 V185 P187	K36-F182 PolarHBondContact NZ-O 2.61Å; E71-F182 HydrophobicContact CB-CD1 3.8Å; E71-F182 HydrophobicContact CB-CE1 4.42Å; E71-F182 VanDerWaalsContact OE2-CA 3.3Å; E71-F182 WeakPolarHBondContact OE2-CA 3.36Å; L72-F182 HydrophobicContact CB-CD1 4.39Å; L72-F182 HydrophobicContact CB-CE1 4.24Å; L72-F182 HydrophobicContact CD1-CE1 4.08Å; L72-F182 HydrophobicContact CD1-CE2 4.05Å; L72-F182 HydrophobicContact CD1-CZ 3.7Å; M75-F182 HydrophobicContact CB-CE1 4.15Å; M75-F182 HydrophobicContact CB-CZ 4.36Å; M75-F182 HydrophobicContact CG-CE1 4.44Å; M75-F182 HydrophobicContact CG-CZ 4.28Å; D179-F182 HydrophobicContact CB-CD2 4.44Å; D179-F182 HydrophobicContact CB-CE2 4.22Å; D179-F182 WeakPolarHBondContact OD2-CE2 3.39Å; F182-V185 HydrophobicContact CB-CG1 3.64Å; F182-V185 WeakPolarHBondContact CB-O 3.43Å; F182-V185 HydrophobicContact CD1-CG1 4.46Å; F182-V185 HydrophobicContact CD2-CG1 4.3Å; F182-V185 HydrophobicContact CG-CG1 3.89Å; F182-P187 HydrophobicContact CD2-CG 3.71Å; F182-P187 HydrophobicContact CE2-CG 3.63Å
183	S	95.1	Very high	96.8	Very high	81 Å²	81	38.1 Å²	38.1	57%	0.566	19%	0.189	S	C	*	.	S	Bend	trans	-79.9	-27.8	-177.7	67.2	0	0	0	0	113.8	K36 E71	K36-S183 WeakPolarHBondContact CD-O 3.31Å; K36-S183 WeakPolarHBondContact CG-O 3.28Å; E71-S183 WeakPolarHBondContact OE1-CB 3.4Å; E71-S183 PolarHBondContact OE1-OG 2.96Å; E71-S183 PolarHBondContact OE2-N 2.93Å
184	D	95.3	Very high	96.8	Very high	58 Å²	58	36 Å²	36	31%	0.31	18%	0.18	S	C	.	.	S	Bend	trans	-117.2	-21.4	-166.8	58.6	-12.2	0	0	0	114.3	S69	S69-D184 WeakPolarHBondContact CA-OD2 3.46Å; S69-D184 WeakPolarHBondContact CB-OD2 3.4Å; S69-D184 PolarHBondContact OG-OD1 3.37Å; S69-D184 PolarHBondContact OG-OD2 3.39Å
185	V	97.9	Very high	96.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	20%	0.199	C	C	.	.			trans	-129.4	159.9	-180	64.6	0	0	0	0	111.7	K36 L50 L67 S69 L72 F182	K36-V185 WeakPolarHBondContact CD-O 3.27Å; L50-V185 HydrophobicContact CD2-CB 4.21Å; L50-V185 HydrophobicContact CD2-CG2 3.82Å; L67-V185 HydrophobicContact CD1-CG2 4.02Å; S69-V185 WeakPolarHBondContact OG-CG1 3.5Å; L72-V185 HydrophobicContact CB-CG1 4.03Å; L72-V185 HydrophobicContact CD2-CG1 4.13Å; L72-V185 HydrophobicContact CD2-CG2 4.33Å; F182-V185 HydrophobicContact CB-CG1 3.64Å; F182-V185 WeakPolarHBondContact CB-O 3.43Å; F182-V185 HydrophobicContact CD1-CG1 4.46Å; F182-V185 HydrophobicContact CD2-CG1 4.3Å; F182-V185 HydrophobicContact CG-CG1 3.89Å
186	Q	97.5	Very high	95.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	76.6	179	-162.4	67.8	57.1	0	0	110.1	M34 G35 F37 F178 D179 T180	M34-Q186 PolarHBondContact N-O 3.41Å; M34-Q186 WeakPolarHBondContact O-CA 3.44Å; M34-Q186 WeakPolarHBondContact O-CB 3.39Å; M34-Q186 PolarHBondContact O-N 2.9Å; G35-Q186 WeakPolarHBondContact O-CB 3.49Å; F37-Q186 HydrophobicContact CD2-CB 4.27Å; F37-Q186 HydrophobicContact CD2-CG 3.74Å; F37-Q186 HydrophobicContact CE2-CB 4.33Å; F37-Q186 HydrophobicContact CE2-CG 3.83Å; F178-Q186 HydrophobicContact CB-CG 3.79Å; F178-Q186 HydrophobicContact CD1-CG 4.19Å; F178-Q186 HydrophobicContact CG-CG 4.1Å; D179-Q186 PolarHBondContact O-NE2 3.12Å; T180-Q186 VanDerWaalsContact CA-NE2 3.34Å
187	P	98.3	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	152.8	174.1	25.5	-25.3	0	0	0	111.2	L29 R32 S33 L72 F178 D179 F182 Y190	L29-P187 HydrophobicContact CD2-CB 4.46Å; R32-P187 WeakPolarHBondContact O-CA 3.47Å; S33-P187 WeakPolarHBondContact OG-CB 3.49Å; L72-P187 HydrophobicContact CD1-CG 4.4Å; F178-P187 CarbonylContact C-O 3.57Å; F178-P187 VanDerWaalsContact CA-O 3.29Å; F178-P187 WeakPolarHBondContact CA-O 3.2Å; F178-P187 WeakPolarHBondContact CB-O 3.46Å; F178-P187 WeakPolarHBondContact CD1-O 3.3Å; D179-P187 HydrophobicContact CB-CG 4.06Å; D179-P187 PolarHBondContact N-O 2.67Å; F182-P187 HydrophobicContact CD2-CG 3.71Å; F182-P187 HydrophobicContact CE2-CG 3.63Å; P187-Y190 HydrophobicContact CB-CD1 4.22Å; P187-Y190 HydrophobicContact CB-CE1 3.83Å; P187-Y190 HydrophobicContact CG-CE1 3.81Å
188	Y	98.5	Very high	92.1	Very high	12 Å²	12	50.6 Å²	50.6	5%	0.047	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-53	158.1	160.9	-78.6	-74.2	0	0	0	109.7	R32 W119 P166 V177 F178 Y190	R32-Y188 HydrophobicContact CB-CD2 4.18Å; R32-Y188 VanDerWaalsContact O-CD2 3.31Å; R32-Y188 WeakPolarHBondContact O-CD2 3.27Å; R32-Y188 PolarHBondContact O-N 3.13Å; W119-Y188 HydrophobicContact CH2-CD2 4.21Å; W119-Y188 HydrophobicContact CH2-CG 4.27Å; W119-Y188 AromaticContact CZ2-CD1 3.98Å; W119-Y188 HydrophobicContact CZ2-CD1 3.98Å; W119-Y188 HydrophobicContact CZ2-CD2 4.21Å; W119-Y188 AromaticContact CZ2-CG 3.8Å; W119-Y188 HydrophobicContact CZ2-CG 3.8Å; P166-Y188 HydrophobicContact CB-CE1 4.09Å; P166-Y188 HydrophobicContact CG-CD1 4.16Å; P166-Y188 HydrophobicContact CG-CE1 3.97Å; V177-Y188 HydrophobicContact CG1-CD1 3.65Å; V177-Y188 HydrophobicContact CG1-CE1 3.6Å; V177-Y188 CarbonylContact O-C 3.59Å; V177-Y188 WeakPolarHBondContact O-CA 3.37Å; F178-Y188 HydrophobicContact CD1-CD1 4.05Å; F178-Y188 HydrophobicContact CD1-CE1 4.37Å; F178-Y188 HydrophobicContact CD1-CG 4.26Å; F178-Y188 AromaticContact CE1-CD1 3.68Å; F178-Y188 HydrophobicContact CE1-CD1 3.68Å; F178-Y188 HydrophobicContact CE1-CD2 4.19Å; F178-Y188 AromaticContact CE1-CE1 3.58Å; F178-Y188 HydrophobicContact CE1-CE1 3.58Å; F178-Y188 HydrophobicContact CE1-CE2 4.1Å; F178-Y188 AromaticContact CE1-CG 3.98Å; F178-Y188 HydrophobicContact CE1-CG 3.98Å; F178-Y188 AromaticContact CE1-CZ 3.8Å; F178-Y188 HydrophobicContact CE2-CE1 4.31Å; F178-Y188 HydrophobicContact CZ-CD1 4.05Å; F178-Y188 AromaticContact CZ-CE1 3.54Å; F178-Y188 HydrophobicContact CZ-CE1 3.54Å; F178-Y188 AromaticContact CZ-CZ 3.84Å; Y188-Y190 VanDerWaalsContact O-CD1 3.25Å; Y188-Y190 WeakPolarHBondContact O-CD1 3.4Å; Y188-Y190 PolarHBondContact O-N 3.23Å
189	L	98.5	Very high	89.4	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.052	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-62	130.4	171.2	-67.3	171.3	0	0	0	109.9	F102 Y103 K105 L176 V177 D179	F102-L189 WeakPolarHBondContact CA-O 3.41Å; Y103-L189 HydrophobicContact CD1-CB 4.33Å; Y103-L189 HydrophobicContact CD2-CB 4.07Å; Y103-L189 HydrophobicContact CD2-CD1 4.27Å; Y103-L189 HydrophobicContact CE1-CB 4.07Å; Y103-L189 HydrophobicContact CE2-CB 3.79Å; Y103-L189 HydrophobicContact CE2-CD1 3.83Å; Y103-L189 HydrophobicContact CE2-CG 4.35Å; Y103-L189 HydrophobicContact CG-CB 4.33Å; Y103-L189 PolarHBondContact N-O 3.41Å; Y103-L189 WeakPolarHBondContact O-CB 3.36Å; K105-L189 HydrophobicContact CD-CD1 3.94Å; K105-L189 HydrophobicContact CG-CD1 3.81Å; L176-L189 WeakPolarHBondContact O-CD1 3.32Å; V177-L189 PolarHBondContact O-N 3.04Å; D179-L189 HydrophobicContact CB-CD2 4.15Å
190	Y	98.4	Very high	86.7	Confident	13 Å²	13	62.1 Å²	62.1	5%	0.051	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	161.9	175.3	64.9	-84.9	0	0	0	111.7	L29 L72 M75 I100 E101 F102 Y103 P187 Y188 I192	L29-Y190 HydrophobicContact CD2-CD1 3.95Å; L29-Y190 HydrophobicContact CD2-CE1 3.78Å; L29-Y190 HydrophobicContact CD2-CE2 4.38Å; L29-Y190 HydrophobicContact CD2-CG 4.37Å; L72-Y190 HydrophobicContact CD1-CE1 4.49Å; L72-Y190 WeakPolarHBondContact CD1-OH 3.42Å; M75-Y190 HydrophobicContact CE-CE2 3.36Å; M75-Y190 VanDerWaalsContact CE-CZ 3.48Å; M75-Y190 WeakPolarHBondContact CE-OH 3.29Å; I100-Y190 HydrophobicContact CD1-CD2 3.89Å; I100-Y190 HydrophobicContact CD1-CG 4.14Å; I100-Y190 HydrophobicContact CG1-CD2 4.15Å; I100-Y190 HydrophobicContact CG1-CG 4.38Å; E101-Y190 CarbonylContact O-C 3.59Å; E101-Y190 WeakPolarHBondContact O-CA 3.16Å; F102-Y190 HydrophobicContact CE1-CD1 4.5Å; F102-Y190 HydrophobicContact CE1-CG 4.43Å; Y103-Y190 VanDerWaalsContact CE1-C 3.45Å; P187-Y190 HydrophobicContact CB-CD1 4.22Å; P187-Y190 HydrophobicContact CB-CE1 3.83Å; P187-Y190 HydrophobicContact CG-CE1 3.81Å; Y188-Y190 VanDerWaalsContact O-CD1 3.25Å; Y188-Y190 WeakPolarHBondContact O-CD1 3.4Å; Y188-Y190 PolarHBondContact O-N 3.23Å; Y190-I192 HydrophobicContact CD2-CG1 4.41Å
191	Q	97.4	Very high	83.6	Confident	50 Å²	50	64.2 Å²	64.2	23%	0.234	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142.1	169.3	59.7	-168.6	-32.9	0	0	109.6	E101 Y103 R193	E101-Q191 HydrophobicContact CB-CG 3.94Å; E101-Q191 VanDerWaalsContact CD-NE2 3.29Å; E101-Q191 HydrophobicContact CG-CG 4.27Å; E101-Q191 PolarHBondContact N-O 2.93Å; E101-Q191 PolarHBondContact O-N 3.47Å; E101-Q191 PolarHBondContact OE1-NE2 2.91Å; Y103-Q191 HydrophobicContact CD1-CG 4.24Å; Y103-Q191 HydrophobicContact CE1-CB 4.14Å; Y103-Q191 HydrophobicContact CE1-CG 4.17Å; Q191-R193 HydrophobicContact CG-CG 4.46Å
192	I	98.1	Very high	80.7	Confident	23 Å²	23	60.5 Å²	60.5	12%	0.118	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.9	172.5	-62.5	-179.5	0	0	0	107.5	F25 L76 E79 I98 S99 Y190	F25-I192 HydrophobicContact CD2-CD1 4.05Å; F25-I192 HydrophobicContact CE2-CD1 4.16Å; F25-I192 HydrophobicContact CE2-CG1 4.37Å; F25-I192 HydrophobicContact CE2-CG2 4.15Å; L76-I192 HydrophobicContact CD1-CD1 3.4Å; L76-I192 VanDerWaalsContact CD1-CD1 3.4Å; E79-I192 HydrophobicContact CB-CB 4.24Å; E79-I192 HydrophobicContact CB-CD1 3.73Å; E79-I192 HydrophobicContact CB-CG2 4.17Å; E79-I192 HydrophobicContact CG-CB 4.41Å; E79-I192 HydrophobicContact CG-CD1 3.97Å; I98-I192 HydrophobicContact CD1-CG2 3.91Å; I98-I192 HydrophobicContact CG1-CG2 3.86Å; S99-I192 CarbonylContact O-C 3.56Å; S99-I192 VanDerWaalsContact O-CA 3.3Å; S99-I192 WeakPolarHBondContact O-CA 3.49Å; Y190-I192 HydrophobicContact CD2-CG1 4.41Å
193	R	96.1	Very high	78.2	Confident	114 Å²	114	65.8 Å²	65.8	43%	0.43	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.5	177.6	-56.1	-176.5	179.1	-78.8	5.3	109.6	I98 S99 E101 Q191	I98-R193 CarbonylContact C-O 3.58Å; I98-R193 WeakPolarHBondContact CA-O 3.26Å; S99-R193 PolarHBondContact N-O 3.26Å; S99-R193 PolarHBondContact O-N 3.31Å; E101-R193 IonicContact OE1-NH2 3.3Å; E101-R193 IonicContact OE2-CZ 2.94Å; E101-R193 IonicContact OE2-NE 3.71Å; E101-R193 PolarHBondContact OE2-NE 3.36Å; E101-R193 IonicContact OE2-NH2 3.08Å; Q191-R193 HydrophobicContact CG-CG 4.46Å
194	H	92.3	Very high	75.6	Confident	44 Å²	44	66.4 Å²	66.4	20%	0.204	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.4	178.7	-44.6	-74.4	0	0	0	109.2	E79 F83 L86 E97 I98	E79-H194 PolarHBondContact O-CE1 3.37Å; F83-H194 WeakPolarHBondContact CB-ND1 3.48Å; F83-H194 HydrophobicContact CD2-CB 3.97Å; F83-H194 AromaticContact CD2-CG 3.92Å; F83-H194 AromaticContact CD2-ND1 3.41Å; F83-H194 WeakPolarHBondContact CD2-ND1 3.39Å; F83-H194 AromaticContact CG-ND1 3.7Å; L86-H194 HydrophobicContact CD1-CB 4.45Å; E97-H194 CarbonylContact O-C 3.38Å; E97-H194 WeakPolarHBondContact O-CA 3.36Å; I98-H194 WeakPolarHBondContact CG1-ND1 3.45Å
195	K	86.4	Confident	73	Confident	122 Å²	122	70.9 Å²	70.9	53%	0.53	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.3	163.7	-57.3	-177.2	-163.7	129.5	0	108.5	E97	E97-K195 HydrophobicContact CB-CB 4.24Å; E97-K195 PolarHBondContact N-O 3.29Å; E97-K195 PolarHBondContact O-N 3.25Å; E97-K195 WeakPolarHBondContact OE1-CD 3.39Å; E97-K195 WeakPolarHBondContact OE1-CE 3.38Å; E97-K195 IonicContact OE1-NZ 2.65Å; E97-K195 PolarHBondContact OE1-NZ 3.24Å; E97-K195 IonicContact OE2-NZ 2.72Å
196	L	79.1	Confident	70.5	Confident	40 Å²	40	75.1 Å²	75.1	21%	0.209	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.4	168.9	-58.4	167.5	0	0	0	105.3	F83 L86 M87 N90 H198	F83-L196 HydrophobicContact CE2-CD2 4.34Å; L86-L196 HydrophobicContact CB-CD1 3.88Å; M87-L196 HydrophobicContact CG-CD2 3.95Å; N90-L196 WeakPolarHBondContact ND2-CD1 3.43Å; L196-H198 PolarHBondContact O-N 3.35Å
197	D	68	Low	68.2	Low	86 Å²	86	78.7 Å²	78.7	46%	0.46	45%	0.451	S	S	.	.			trans	-65.2	110.1	179.2	-167.9	4.9	0	0	0	108.3	S200	D197-S200 PolarHBondContact OD1-N 3.04Å
198	H	51.5	Low	65.8	Low	157 Å²	157	82.8 Å²	82.8	73%	0.727	48%	0.476	S	S	*	.			trans	-105.2	103.7	167.1	63.9	-70	0	0	0	105.2	L196	L196-H198 PolarHBondContact O-N 3.35Å
199	L	43	Very low	63.3	Low	163 Å²	163	88.7 Å²	88.7	85%	0.853	50%	0.503	S	S	*	.	S	Bend	trans	63	68.6	171.5	-56.5	149.8	0	0	0	114.8
200	S	39.4	Very low	60.9	Low	89 Å²	89	94.7 Å²	94.7	62%	0.622	53%	0.531	S	S	*	.			trans	-129	54.7	146.5	-75.5	0	0	0	0	111.3	D197 A202	D197-S200 PolarHBondContact OD1-N 3.04Å; S200-A202 PolarHBondContact O-N 3.26Å
201	A	32.4	Very low	58.1	Low	111 Å²	111	101.8 Å²	101.8	92%	0.917	56%	0.561	S	S	*	*			trans	-69.5	84.1	159.6	0	0	0	0	0	109.7
202	A	34.4	Very low	55.8	Low	84 Å²	84	104.5 Å²	104.5	69%	0.694	58%	0.577	S	S	*	*			trans	-126.2	144.9	158	0	0	0	0	0	108.4	S200 S204	S200-A202 PolarHBondContact O-N 3.26Å; A202-S204 PolarHBondContact O-N 3.27Å
203	P	43.7	Very low	53.5	Low	123 Å²	123	109.2 Å²	109.2	80%	0.799	60%	0.602	S	S	*	*				-77.7	126.1	-120	27.3	-34.8	0	0	0	113.4	L205	P203-L205 PolarHBondContact O-N 2.84Å
204	S	41.8	Very low	51.2	Low	93 Å²	93	111.7 Å²	111.7	65%	0.65	62%	0.616	S	S	*	*			trans	-15.6	108.8	155.6	-51.7	0	0	0	0	116.1	A202 T206	A202-S204 PolarHBondContact O-N 3.27Å; S204-T206 WeakPolarHBondContact CB-OG1 3.49Å; S204-T206 PolarHBondContact O-N 3.02Å; S204-T206 VanDerWaalsContact O-N 3.11Å
205	L	41.4	Very low	49	Very low	152 Å²	152	111.9 Å²	111.9	80%	0.796	63%	0.63	S	S	*	*			trans	-76.5	41	152.3	-72.4	170	0	0	0	110.9	P203 S207	P203-L205 PolarHBondContact O-N 2.84Å; L205-S207 PolarHBondContact O-N 2.81Å
206	T	45.1	Very low	47.4	Very low	91 Å²	91	111.4 Å²	111.4	56%	0.558	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	7.3	178.9	45.2	0	0	0	0	113.6	S204	S204-T206 WeakPolarHBondContact CB-OG1 3.49Å; S204-T206 PolarHBondContact O-N 3.02Å; S204-T206 VanDerWaalsContact O-N 3.11Å
207	S	49.3	Very low	45.8	Very low	75 Å²	75	116.9 Å²	116.9	52%	0.524	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-8.2	178.2	67	0	0	0	0	115.3	L205	L205-S207 PolarHBondContact O-N 2.81Å
208	T	47.1	Very low	44.7	Very low	86 Å²	86	116.8 Å²	116.8	53%	0.528	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86	-43.5	-176.3	-27.3	0	0	0	0	112.3	K211 L212	T208-K211 PolarHBondContact O-N 2.99Å; T208-L212 PolarHBondContact O-N 2.85Å
209	F	46.1	Very low	44.4	Very low	136 Å²	136	120.8 Å²	120.8	60%	0.596	70%	0.698	S	S	*	*	H	α-helix	trans	-80.7	-30.1	-177.4	-71.9	-76.8	0	0	0	114.2	K211 L212 L213	F209-K211 PolarHBondContact O-N 3.01Å; F209-L212 HydrophobicContact CD1-CD1 4.3Å; F209-L212 PolarHBondContact O-N 2.95Å; F209-L213 PolarHBondContact O-N 3.28Å
210	Q	48.1	Very low	44.5	Very low	137 Å²	137	118.7 Å²	118.7	64%	0.64	69%	0.69	S	S	*	*	H	α-helix	trans	-65.5	-21.8	170.3	-71.5	-173.6	-8	0	0	112.7	K214	Q210-K214 PolarHBondContact O-N 3.25Å
211	K	40.2	Very low	44.8	Very low	161 Å²	161	120.3 Å²	120.3	70%	0.7	69%	0.693	S	S	*	*	H	α-helix	trans	-78.1	-37.1	173.6	-88.2	-176.9	175	177.8	0	112.8	T208 F209 K214 G215	T208-K211 PolarHBondContact O-N 2.99Å; F209-K211 PolarHBondContact O-N 3.01Å; K211-K214 PolarHBondContact O-N 3.36Å; K211-G215 PolarHBondContact O-N 3.49Å
212	L	47.8	Very low	45.5	Very low	107 Å²	107	120.8 Å²	120.8	56%	0.56	68%	0.681	S	S	*	*	H	α-helix	trans	-64.6	-44.1	176.6	-91	150.9	0	0	0	111.5	T208 F209 K214 G215 T216	T208-L212 PolarHBondContact O-N 2.85Å; F209-L212 HydrophobicContact CD1-CD1 4.3Å; F209-L212 PolarHBondContact O-N 2.95Å; L212-K214 VanDerWaalsContact C-N 3.31Å; L212-K214 PolarHBondContact O-N 3Å; L212-G215 PolarHBondContact O-N 3.27Å; L212-T216 PolarHBondContact O-N 3.31Å; L212-T216 PolarHBondContact O-OG1 3.05Å
213	L	49.7	Very low	46.1	Very low	122 Å²	122	122.9 Å²	122.9	64%	0.639	68%	0.68	S	S	*	*	H	α-helix	trans	-68	-27.7	177.3	-70.9	169.6	0	0	0	113.6	F209	F209-L213 PolarHBondContact O-N 3.28Å
214	K	48.7	Very low	46.3	Very low	166 Å²	166	122.9 Å²	122.9	72%	0.722	67%	0.673	S	S	*	*	H	α-helix	trans	-79.9	-28.9	173	-81	-176.2	176	-179.7	0	113.5	Q210 K211 L212	Q210-K214 PolarHBondContact O-N 3.25Å; K211-K214 PolarHBondContact O-N 3.36Å; L212-K214 VanDerWaalsContact C-N 3.31Å; L212-K214 PolarHBondContact O-N 3Å
215	G	46.1	Very low	46.6	Very low	48 Å²	48	124.9 Å²	124.9	50%	0.495	67%	0.674	S	S	.	*	H	α-helix	trans	-74.1	-34.7	-179	0	0	0	0	0	113.6	K211 L212 S218	K211-G215 PolarHBondContact O-N 3.49Å; L212-G215 PolarHBondContact O-N 3.27Å; G215-S218 PolarHBondContact O-OG 3.24Å
216	T	52.1	Low	46.9	Very low	112 Å²	112	123 Å²	123	69%	0.687	67%	0.666	S	S	*	*	H	α-helix	trans	-80.9	-21.3	-177.9	-46.4	0	0	0	0	113.2	L212 S218	L212-T216 PolarHBondContact O-N 3.31Å; L212-T216 PolarHBondContact O-OG1 3.05Å; T216-S218 VanDerWaalsContact C-N 3.33Å
217	L	45.9	Very low	47.1	Very low	155 Å²	155	125.5 Å²	125.5	81%	0.812	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	6.9	177.8	-74.7	169.7	0	0	0	114.1
218	S	45.9	Very low	46.9	Very low	85 Å²	85	129.7 Å²	129.7	59%	0.594	69%	0.686	S	S	*	*			trans	-116.4	66.3	169.9	54.3	0	0	0	0	110.3	G215 T216	G215-S218 PolarHBondContact O-OG 3.24Å; T216-S218 VanDerWaalsContact C-N 3.33Å
219	L	44.9	Very low	46.9	Very low	241 Å²	241	133.6 Å²	133.6	100%	1.262	70%	0.701	S	S	*	*			trans	-161.8	0	153.1	-97.1	166.7	0	0	0	109.1

Retrieved 219 of 219 residues in 1511.3 ms (Link to these results)

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