A0A5K4F4K5_SCHMA Loading...

Myotubularin phosphatase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4K5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 259 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	38.4	Very low	72.3	Confident	231 Å²	231	96.4 Å²	96.4	100%	1.138	52%	0.519	S	S	*	.				0	119	0	-72	174.9	-165.2	0	0	106.9	V3	M1-V3 PolarHBondContact O-N 2.94Å
2	N	46.9	Very low	74.2	Confident	165 Å²	165	89.2 Å²	89.2	88%	0.882	48%	0.48	S	S	*	.			trans	-62.3	109.9	169.1	-82.6	-10.9	0	0	0	106.8	I4	N2-I4 PolarHBondContact O-N 3.38Å
3	V	52.6	Low	75.6	Confident	132 Å²	132	91.6 Å²	91.6	80%	0.8	49%	0.486	S	S	*	.			trans	-63	112.1	175.6	-179	0	0	0	0	105.8	M1 S5	M1-V3 PolarHBondContact O-N 2.94Å; V3-S5 PolarHBondContact O-N 2.78Å
4	I	60.7	Low	76.7	Confident	51 Å²	51	90.2 Å²	90.2	26%	0.262	49%	0.485	S	S	.	.			trans	-61.4	104.5	171.1	-65	179	0	0	0	105.9	N2 M6 I24	N2-I4 PolarHBondContact O-N 3.38Å; I4-M6 HydrophobicContact CG2-CE 4.14Å; I4-M6 HydrophobicContact CG2-CG 4.12Å; I4-M6 PolarHBondContact O-N 3.05Å; I4-I24 HydrophobicContact CD1-CB 4.33Å; I4-I24 HydrophobicContact CD1-CD1 4.03Å; I4-I24 HydrophobicContact CD1-CG1 4.05Å
5	S	65.7	Low	77.5	Confident	84 Å²	84	90.7 Å²	90.7	59%	0.587	49%	0.486	S	S	*	.			trans	-68	105	176.7	176.7	0	0	0	0	108.7	V3 H7	V3-S5 PolarHBondContact O-N 2.78Å; S5-H7 PolarHBondContact OG-CE1 3.08Å; S5-H7 PolarHBondContact OG-NE2 3.06Å
6	M	74.9	Confident	78	Confident	39 Å²	39	87.4 Å²	87.4	19%	0.192	47%	0.468	C	S	.	.			trans	-95.2	121.5	171	-59.4	-164.6	-156.5	0	0	108.6	I4 F8 I24 T26 I33	I4-M6 HydrophobicContact CG2-CE 4.14Å; I4-M6 HydrophobicContact CG2-CG 4.12Å; I4-M6 PolarHBondContact O-N 3.05Å; M6-F8 HydrophobicContact CB-CE1 4.21Å; M6-F8 HydrophobicContact CB-CE2 4.36Å; M6-F8 HydrophobicContact CB-CZ 3.92Å; M6-I24 HydrophobicContact CE-CB 4.32Å; M6-I24 HydrophobicContact CE-CG2 3.98Å; M6-T26 WeakPolarHBondContact CE-OG1 3.1Å; M6-T26 HydrophobicContact SD-CG2 4.02Å; M6-T26 PolarHBondContact SD-OG1 3.07Å; M6-I33 HydrophobicContact SD-CB 4.48Å; M6-I33 HydrophobicContact SD-CD1 4.38Å; M6-I33 HydrophobicContact SD-CG2 4.05Å
7	H	85.2	Confident	78.7	Confident	149 Å²	149	86.3 Å²	86.3	69%	0.69	47%	0.465	S	S	*	.			trans	-90.2	110.7	176.3	-63.9	-70.9	0	0	0	109.3	S5 R31	S5-H7 PolarHBondContact OG-CE1 3.08Å; S5-H7 PolarHBondContact OG-NE2 3.06Å; H7-R31 PolarHBondContact O-NH2 3.02Å
8	F	91.5	Very high	79.1	Confident	88 Å²	88	84.9 Å²	84.9	39%	0.386	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-87.5	142.1	176.4	-60.7	-59.9	0	0	0	111.1	M6 E12 P14 T28 I33	M6-F8 HydrophobicContact CB-CE1 4.21Å; M6-F8 HydrophobicContact CB-CE2 4.36Å; M6-F8 HydrophobicContact CB-CZ 3.92Å; F8-E12 WeakPolarHBondContact CA-OE2 3.31Å; F8-E12 HydrophobicContact CB-CB 4.11Å; F8-E12 HydrophobicContact CB-CG 4.34Å; F8-E12 HydrophobicContact CD1-CG 3.94Å; F8-P14 HydrophobicContact CZ-CB 4.31Å; F8-P14 HydrophobicContact CZ-CG 4.22Å; F8-T28 HydrophobicContact CD1-CG2 4.12Å; F8-T28 HydrophobicContact CE1-CG2 3.74Å; F8-I33 HydrophobicContact CE1-CD1 4.2Å
9	L	93	Very high	79.3	Confident	66 Å²	66	84.4 Å²	84.4	35%	0.346	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-70	157.7	168.6	-62.4	177.7	0	0	0	110.3	G11 E12 Y30 F102 F106	L9-G11 PolarHBondContact O-N 3.39Å; L9-G11 VanDerWaalsContact O-N 3.16Å; L9-E12 HydrophobicContact CB-CB 4.03Å; L9-E12 PolarHBondContact N-OE2 2.9Å; L9-E12 WeakPolarHBondContact O-CB 3.27Å; L9-E12 PolarHBondContact O-N 3.11Å; L9-Y30 HydrophobicContact CD1-CD1 3.76Å; L9-Y30 HydrophobicContact CD1-CE1 3.53Å; L9-F102 HydrophobicContact CB-CE1 4.41Å; L9-F102 HydrophobicContact CB-CZ 3.99Å; L9-F102 HydrophobicContact CD1-CE1 3.9Å; L9-F102 HydrophobicContact CD1-CZ 4.27Å; L9-F106 HydrophobicContact CB-CD2 4.17Å; L9-F106 HydrophobicContact CB-CE2 4.2Å
10	P	93.5	Very high	79.7	Confident	37 Å²	37	80.8 Å²	80.8	24%	0.24	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	123.5	167.6	-30.4	36.6	0	0	0	111.6	E12 F106 L110	P10-E12 VanDerWaalsContact C-N 3.25Å; P10-E12 PolarHBondContact O-N 2.78Å; P10-F106 HydrophobicContact CB-CD2 4.4Å; P10-F106 HydrophobicContact CB-CE2 4.47Å; P10-F106 HydrophobicContact CG-CE2 4.35Å; P10-F106 WeakPolarHBondContact O-CA 3.11Å; P10-F106 WeakPolarHBondContact O-CD2 3.29Å; P10-L110 HydrophobicContact CB-CB 4.32Å; P10-L110 HydrophobicContact CB-CD1 4.48Å; P10-L110 HydrophobicContact CG-CD1 3.96Å
11	G	93.2	Very high	79.9	Confident	18 Å²	18	79.9 Å²	79.9	19%	0.186	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-0	-178.4	0	0	0	0	0	115	L9 N29 S109	L9-G11 PolarHBondContact O-N 3.39Å; L9-G11 VanDerWaalsContact O-N 3.16Å; G11-N29 PolarHBondContact O-ND2 2.84Å; G11-S109 VanDerWaalsContact N-CB 3.26Å; G11-S109 PolarHBondContact N-OG 3.18Å
12	E	94.6	Very high	82.2	Confident	10 Å²	10	71.7 Å²	71.7	5%	0.047	40%	0.403	C	S	.	.			trans	-81.2	127.3	173.3	-176.1	178.8	-162.3	0	0	110.5	F8 L9 P10 T28 N29 R31 F102	F8-E12 WeakPolarHBondContact CA-OE2 3.31Å; F8-E12 HydrophobicContact CB-CB 4.11Å; F8-E12 HydrophobicContact CB-CG 4.34Å; F8-E12 HydrophobicContact CD1-CG 3.94Å; L9-E12 HydrophobicContact CB-CB 4.03Å; L9-E12 PolarHBondContact N-OE2 2.9Å; L9-E12 WeakPolarHBondContact O-CB 3.27Å; L9-E12 PolarHBondContact O-N 3.11Å; P10-E12 VanDerWaalsContact C-N 3.25Å; P10-E12 PolarHBondContact O-N 2.78Å; E12-T28 HydrophobicContact CG-CG2 3.99Å; E12-T28 WeakPolarHBondContact OE1-CB 3.42Å; E12-T28 WeakPolarHBondContact OE1-CG2 3.38Å; E12-T28 PolarHBondContact OE1-OG1 3.32Å; E12-N29 VanDerWaalsContact CA-OD1 3.3Å; E12-N29 WeakPolarHBondContact CA-OD1 3.45Å; E12-R31 WeakPolarHBondContact OE1-CD 3.29Å; E12-R31 VanDerWaalsContact OE1-CG 3.3Å; E12-R31 WeakPolarHBondContact OE1-CG 3.11Å; E12-R31 IonicContact OE1-CZ 3.65Å; E12-R31 IonicContact OE1-NE 2.97Å; E12-R31 PolarHBondContact OE1-NE 3.08Å; E12-R31 IonicContact OE1-NH2 3.9Å; E12-R31 IonicContact OE2-CZ 3.08Å; E12-R31 IonicContact OE2-NE 3.92Å; E12-R31 PolarHBondContact OE2-NE 3.23Å; E12-R31 IonicContact OE2-NH2 2.67Å; E12-R31 PolarHBondContact OE2-NH2 2.86Å; E12-F102 HydrophobicContact CB-CE2 3.89Å; E12-F102 HydrophobicContact CB-CZ 3.87Å
13	E	92.2	Very high	84.1	Confident	121 Å²	121	64.3 Å²	64.3	57%	0.565	37%	0.366	S	S	*	.			trans	-132	137.7	-176.5	-67	173.6	169.3	0	0	110.3	I15 T28 N29	E13-I15 PolarHBondContact O-N 2.73Å; E13-T28 WeakPolarHBondContact O-CA 3.39Å; E13-T28 VanDerWaalsContact O-CB 3.26Å; E13-T28 WeakPolarHBondContact O-CB 3.49Å; E13-N29 PolarHBondContact N-OD1 3.39Å; E13-N29 PolarHBondContact O-N 3.15Å; E13-N29 VanDerWaalsContact O-N 3.11Å
14	P	91.4	Very high	85.9	Confident	72 Å²	72	60.6 Å²	60.6	47%	0.468	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	122.9	172.7	29.2	-32.9	0	0	0	110.1	F8 T26	F8-P14 HydrophobicContact CZ-CB 4.31Å; F8-P14 HydrophobicContact CZ-CG 4.22Å; P14-T26 HydrophobicContact CB-CG2 4.02Å
15	I	88.8	Confident	87.3	Confident	97 Å²	97	58.2 Å²	58.2	50%	0.497	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-43.9	174.2	-62.3	174.7	0	0	0	109.8	E13 L27 N29	E13-I15 PolarHBondContact O-N 2.73Å; I15-L27 HydrophobicContact CB-CD2 4.46Å; I15-L27 HydrophobicContact CB-CG 4.29Å; I15-L27 HydrophobicContact CG2-CD2 4.44Å; I15-L27 PolarHBondContact N-O 3.42Å; I15-N29 HydrophobicContact CD1-CB 3.98Å; I15-N29 HydrophobicContact CG1-CB 4.43Å
16	N	86.1	Confident	88.5	Confident	38 Å²	38	54.3 Å²	54.3	20%	0.203	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.4	-179	-149.9	-58.8	0	0	0	111.3	K18 T26 L27 H87	N16-K18 WeakPolarHBondContact OD1-CE 3.49Å; N16-T26 WeakPolarHBondContact O-CA 3.43Å; N16-L27 HydrophobicContact CB-CB 4.41Å; N16-L27 PolarHBondContact N-O 2.91Å; N16-L27 VanDerWaalsContact N-O 3.16Å; N16-L27 PolarHBondContact O-N 3.01Å; N16-H87 PolarHBondContact ND2-CE1 3.26Å; N16-H87 PolarHBondContact ND2-NE2 3.32Å
17	T	88.9	Confident	89.3	Confident	69 Å²	69	52.6 Å²	52.6	42%	0.423	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	131.5	176.5	-67.8	0	0	0	0	110	I24 F25 T26	T17-I24 HydrophobicContact CG2-CG2 3.19Å; T17-F25 CarbonylContact C-O 3.54Å; T17-F25 VanDerWaalsContact CA-O 3.24Å; T17-F25 WeakPolarHBondContact CA-O 3.37Å; T17-T26 PolarHBondContact OG1-OG1 3.41Å
18	K	85.4	Confident	89.6	Confident	62 Å²	62	45.5 Å²	45.5	27%	0.27	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.3	-179.7	-59.4	-62.3	179.2	-167.1	0	111	N16 I24 F25 F75	N16-K18 WeakPolarHBondContact OD1-CE 3.49Å; K18-I24 CarbonylContact O-C 3.6Å; K18-I24 WeakPolarHBondContact O-CA 3.31Å; K18-F25 HydrophobicContact CB-CD1 4.17Å; K18-F25 HydrophobicContact CG-CD1 4.29Å; K18-F25 PolarHBondContact N-O 3.35Å; K18-F25 PolarHBondContact O-N 3.1Å; K18-F75 HydrophobicContact CB-CE1 4.44Å
19	S	83.9	Confident	89.6	Confident	75 Å²	75	43 Å²	43	52%	0.524	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.2	171	-59.4	0	0	0	0	110.1
20	I	86.6	Confident	89.5	Confident	11 Å²	11	43 Å²	43	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	165.7	168	58.1	170.3	0	0	0	108.7	D22 G23 F25 F34 W73 S74 F75	I20-D22 PolarHBondContact O-N 3.45Å; I20-G23 WeakPolarHBondContact CG1-O 3.07Å; I20-G23 PolarHBondContact N-O 2.99Å; I20-G23 PolarHBondContact O-N 2.93Å; I20-G23 VanDerWaalsContact O-N 3.11Å; I20-F25 HydrophobicContact CG2-CB 3.67Å; I20-F34 HydrophobicContact CD1-CD1 4.41Å; I20-W73 HydrophobicContact CD1-CE3 4.22Å; I20-S74 WeakPolarHBondContact CB-O 3.18Å; I20-F75 HydrophobicContact CG2-CD1 3.97Å; I20-F75 HydrophobicContact CG2-CE1 3.97Å; I20-F75 HydrophobicContact CG2-CG 4.3Å; I20-F75 HydrophobicContact CG2-CZ 4.27Å
21	A	85.1	Confident	89.5	Confident	63 Å²	63	43.2 Å²	43.2	52%	0.521	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-39	-171.8	0	0	0	0	0	113.8	S74	A21-S74 PolarHBondContact N-O 2.73Å
22	D	85.6	Confident	89.4	Confident	59 Å²	59	42.4 Å²	42.4	32%	0.316	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	32.5	178.3	-163.6	26.6	0	0	0	113.8	I20 T36 K37	I20-D22 PolarHBondContact O-N 3.45Å; D22-T36 CarbonylContact O-C 3.39Å; D22-T36 WeakPolarHBondContact O-CA 3.43Å; D22-T36 WeakPolarHBondContact O-CB 3.47Å; D22-K37 PolarHBondContact O-N 3.43Å; D22-K37 WeakPolarHBondContact OD1-CD 3.22Å
23	G	88	Confident	89.3	Confident	10 Å²	10	42.5 Å²	42.5	10%	0.103	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.6	-138.7	179.2	0	0	0	0	0	115.5	I20 S35	I20-G23 WeakPolarHBondContact CG1-O 3.07Å; I20-G23 PolarHBondContact N-O 2.99Å; I20-G23 PolarHBondContact O-N 2.93Å; I20-G23 VanDerWaalsContact O-N 3.11Å; G23-S35 CarbonylContact C-O 3.59Å; G23-S35 VanDerWaalsContact CA-O 3.29Å; G23-S35 WeakPolarHBondContact CA-O 3.47Å
24	I	89.9	Confident	89.1	Confident	54 Å²	54	36.7 Å²	36.7	28%	0.277	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.6	-173	-59	-178.6	0	0	0	110.1	I4 M6 T17 K18 S35	I4-I24 HydrophobicContact CD1-CB 4.33Å; I4-I24 HydrophobicContact CD1-CD1 4.03Å; I4-I24 HydrophobicContact CD1-CG1 4.05Å; M6-I24 HydrophobicContact CE-CB 4.32Å; M6-I24 HydrophobicContact CE-CG2 3.98Å; T17-I24 HydrophobicContact CG2-CG2 3.19Å; K18-I24 CarbonylContact O-C 3.6Å; K18-I24 WeakPolarHBondContact O-CA 3.31Å; I24-S35 PolarHBondContact N-O 3.45Å; I24-S35 PolarHBondContact O-N 2.77Å
25	F	90.1	Very high	89	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.9	162.9	165.4	-112.3	0	0	0	109	T17 K18 I20 L27 L32 I33 F34 F75 I88	T17-F25 CarbonylContact C-O 3.54Å; T17-F25 VanDerWaalsContact CA-O 3.24Å; T17-F25 WeakPolarHBondContact CA-O 3.37Å; K18-F25 HydrophobicContact CB-CD1 4.17Å; K18-F25 HydrophobicContact CG-CD1 4.29Å; K18-F25 PolarHBondContact N-O 3.35Å; K18-F25 PolarHBondContact O-N 3.1Å; I20-F25 HydrophobicContact CG2-CB 3.67Å; F25-L27 HydrophobicContact CE1-CB 4.33Å; F25-L27 HydrophobicContact CZ-CB 4.06Å; F25-L32 HydrophobicContact CE2-CB 4.13Å; F25-L32 HydrophobicContact CE2-CD2 3.87Å; F25-L32 HydrophobicContact CE2-CG 4.48Å; F25-L32 HydrophobicContact CZ-CD2 3.92Å; F25-I33 CarbonylContact C-O 3.59Å; F25-I33 WeakPolarHBondContact CA-O 3.46Å; F25-F34 HydrophobicContact CB-CD1 4.13Å; F25-F34 HydrophobicContact CB-CE1 4.18Å; F25-F34 AromaticContact CD2-CD1 3.68Å; F25-F34 HydrophobicContact CD2-CD1 3.68Å; F25-F34 HydrophobicContact CD2-CD2 4.4Å; F25-F34 AromaticContact CD2-CE1 3.23Å; F25-F34 HydrophobicContact CD2-CE1 3.23Å; F25-F34 HydrophobicContact CD2-CE2 4.03Å; F25-F34 HydrophobicContact CD2-CG 4.24Å; F25-F34 AromaticContact CD2-CZ 3.42Å; F25-F34 HydrophobicContact CD2-CZ 3.42Å; F25-F34 VanDerWaalsContact CD2-CZ 3.42Å; F25-F34 AromaticContact CE2-CE1 3.84Å; F25-F34 HydrophobicContact CE2-CE1 3.84Å; F25-F34 HydrophobicContact CE2-CE2 4.07Å; F25-F34 AromaticContact CE2-CZ 3.53Å; F25-F34 HydrophobicContact CE2-CZ 3.53Å; F25-F34 HydrophobicContact CG-CD1 4.33Å; F25-F34 AromaticContact CG-CE1 3.96Å; F25-F34 HydrophobicContact CG-CE1 3.96Å; F25-F34 HydrophobicContact CG-CZ 4.49Å; F25-F75 HydrophobicContact CB-CE1 4.43Å; F25-F75 HydrophobicContact CD1-CE1 4.21Å; F25-F75 HydrophobicContact CD1-CZ 4.37Å; F25-F75 HydrophobicContact CG-CE1 4.48Å; F25-F75 HydrophobicContact CG-CZ 4.43Å; F25-I88 HydrophobicContact CE2-CD1 4.37Å; F25-I88 HydrophobicContact CZ-CD1 4Å; F25-I88 HydrophobicContact CZ-CG1 3.99Å
26	T	91.2	Very high	88.8	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.4	174.4	-66.6	0	0	0	0	109.2	M6 P14 N16 T17 T28 I33	M6-T26 WeakPolarHBondContact CE-OG1 3.1Å; M6-T26 HydrophobicContact SD-CG2 4.02Å; M6-T26 PolarHBondContact SD-OG1 3.07Å; P14-T26 HydrophobicContact CB-CG2 4.02Å; N16-T26 WeakPolarHBondContact O-CA 3.43Å; T17-T26 PolarHBondContact OG1-OG1 3.41Å; T26-T28 HydrophobicContact CG2-CG2 4.14Å; T26-I33 PolarHBondContact N-O 3.41Å; T26-I33 PolarHBondContact O-N 3.36Å
27	L	91.5	Very high	88.5	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.3	169.7	166.6	61.6	0	0	0	108.6	I15 N16 F25 L32 T47 H87 L91	I15-L27 HydrophobicContact CB-CD2 4.46Å; I15-L27 HydrophobicContact CB-CG 4.29Å; I15-L27 HydrophobicContact CG2-CD2 4.44Å; I15-L27 PolarHBondContact N-O 3.42Å; N16-L27 HydrophobicContact CB-CB 4.41Å; N16-L27 PolarHBondContact N-O 2.91Å; N16-L27 VanDerWaalsContact N-O 3.16Å; N16-L27 PolarHBondContact O-N 3.01Å; F25-L27 HydrophobicContact CE1-CB 4.33Å; F25-L27 HydrophobicContact CZ-CB 4.06Å; L27-L32 HydrophobicContact CD1-CD2 3.48Å; L27-L32 VanDerWaalsContact CD1-CD2 3.48Å; L27-T47 HydrophobicContact CD1-CG2 4.3Å; L27-H87 HydrophobicContact CD2-CB 3.97Å; L27-L91 HydrophobicContact CD1-CD1 3.19Å; L27-L91 HydrophobicContact CD1-CG 4.49Å; L27-L91 HydrophobicContact CD2-CD1 3.59Å; L27-L91 HydrophobicContact CD2-CG 4.46Å; L27-L91 HydrophobicContact CG-CD1 3.98Å
28	T	92.2	Very high	88	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	171.3	169.5	75.9	0	0	0	0	111	F8 E12 E13 T26 Y30 R31 I33	F8-T28 HydrophobicContact CD1-CG2 4.12Å; F8-T28 HydrophobicContact CE1-CG2 3.74Å; E12-T28 HydrophobicContact CG-CG2 3.99Å; E12-T28 WeakPolarHBondContact OE1-CB 3.42Å; E12-T28 WeakPolarHBondContact OE1-CG2 3.38Å; E12-T28 PolarHBondContact OE1-OG1 3.32Å; E13-T28 WeakPolarHBondContact O-CA 3.39Å; E13-T28 VanDerWaalsContact O-CB 3.26Å; E13-T28 WeakPolarHBondContact O-CB 3.49Å; T26-T28 HydrophobicContact CG2-CG2 4.14Å; T28-Y30 PolarHBondContact O-N 3.38Å; T28-Y30 VanDerWaalsContact O-N 3.08Å; T28-Y30 PolarHBondContact OG1-N 3.34Å; T28-Y30 VanDerWaalsContact OG1-N 3.12Å; T28-R31 PolarHBondContact N-O 2.99Å; T28-R31 PolarHBondContact OG1-N 3.23Å; T28-R31 PolarHBondContact OG1-O 3.17Å; T28-R31 VanDerWaalsContact OG1-O 3.13Å; T28-I33 HydrophobicContact CG2-CD1 3.88Å
29	N	89.8	Confident	87	Confident	34 Å²	34	42.5 Å²	42.5	18%	0.182	22%	0.224	C	C	.	.	S	Bend	trans	-63.8	-2.4	168.6	64.9	-14.4	0	0	0	114.3	G11 E12 E13 I15	G11-N29 PolarHBondContact O-ND2 2.84Å; E12-N29 VanDerWaalsContact CA-OD1 3.3Å; E12-N29 WeakPolarHBondContact CA-OD1 3.45Å; E13-N29 PolarHBondContact N-OD1 3.39Å; E13-N29 PolarHBondContact O-N 3.15Å; E13-N29 VanDerWaalsContact O-N 3.11Å; I15-N29 HydrophobicContact CD1-CB 3.98Å; I15-N29 HydrophobicContact CG1-CB 4.43Å
30	Y	91.7	Very high	86.3	Confident	67 Å²	67	47.7 Å²	47.7	26%	0.263	24%	0.24	S	C	.	.	S	Bend	trans	-122.9	-42.6	179.7	174.2	-129.4	0	0	0	114	L9 T28 P46 T47 F102	L9-Y30 HydrophobicContact CD1-CD1 3.76Å; L9-Y30 HydrophobicContact CD1-CE1 3.53Å; T28-Y30 PolarHBondContact O-N 3.38Å; T28-Y30 VanDerWaalsContact O-N 3.08Å; T28-Y30 PolarHBondContact OG1-N 3.34Å; T28-Y30 VanDerWaalsContact OG1-N 3.12Å; Y30-P46 HydrophobicContact CE2-CB 4.18Å; Y30-T47 PolarHBondContact O-N 2.76Å; Y30-T47 PolarHBondContact O-OG1 2.88Å; Y30-T47 VanDerWaalsContact O-OG1 3.12Å; Y30-F102 HydrophobicContact CD1-CD1 4.18Å; Y30-F102 AromaticContact CD1-CE1 3.92Å; Y30-F102 HydrophobicContact CD1-CE1 3.92Å; Y30-F102 HydrophobicContact CD1-CZ 4.42Å; Y30-F102 HydrophobicContact CD2-CB 3.95Å; Y30-F102 AromaticContact CD2-CD1 3.18Å; Y30-F102 HydrophobicContact CD2-CD1 3.18Å; Y30-F102 AromaticContact CD2-CE1 3.79Å; Y30-F102 HydrophobicContact CD2-CE1 3.79Å; Y30-F102 AromaticContact CD2-CG 3.63Å; Y30-F102 HydrophobicContact CD2-CG 3.63Å; Y30-F102 HydrophobicContact CE1-CE1 4.45Å; Y30-F102 AromaticContact CE2-CD1 3.8Å; Y30-F102 HydrophobicContact CE2-CD1 3.8Å; Y30-F102 HydrophobicContact CE2-CE1 4.3Å; Y30-F102 AromaticContact CG-CD1 3.42Å; Y30-F102 HydrophobicContact CG-CD1 3.42Å; Y30-F102 VanDerWaalsContact CG-CD1 3.42Å; Y30-F102 HydrophobicContact CG-CD2 4.31Å; Y30-F102 AromaticContact CG-CE1 3.59Å; Y30-F102 HydrophobicContact CG-CE1 3.59Å; Y30-F102 HydrophobicContact CG-CE2 4.46Å; Y30-F102 AromaticContact CG-CG 3.81Å; Y30-F102 HydrophobicContact CG-CG 3.81Å; Y30-F102 HydrophobicContact CG-CZ 4.13Å
31	R	92.6	Very high	85.9	Confident	42 Å²	42	49.5 Å²	49.5	16%	0.158	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	160.1	-169.8	70.2	-158.3	169	147.5	-16.4	113.4	H7 E12 T28 I33 S44 I45	H7-R31 PolarHBondContact O-NH2 3.02Å; E12-R31 WeakPolarHBondContact OE1-CD 3.29Å; E12-R31 VanDerWaalsContact OE1-CG 3.3Å; E12-R31 WeakPolarHBondContact OE1-CG 3.11Å; E12-R31 IonicContact OE1-CZ 3.65Å; E12-R31 IonicContact OE1-NE 2.97Å; E12-R31 PolarHBondContact OE1-NE 3.08Å; E12-R31 IonicContact OE1-NH2 3.9Å; E12-R31 IonicContact OE2-CZ 3.08Å; E12-R31 IonicContact OE2-NE 3.92Å; E12-R31 PolarHBondContact OE2-NE 3.23Å; E12-R31 IonicContact OE2-NH2 2.67Å; E12-R31 PolarHBondContact OE2-NH2 2.86Å; T28-R31 PolarHBondContact N-O 2.99Å; T28-R31 PolarHBondContact OG1-N 3.23Å; T28-R31 PolarHBondContact OG1-O 3.17Å; T28-R31 VanDerWaalsContact OG1-O 3.13Å; R31-I33 HydrophobicContact CG-CD1 4.2Å; R31-I33 HydrophobicContact CG-CG1 3.76Å; R31-S44 WeakPolarHBondContact CD-OG 3.44Å; R31-S44 PolarHBondContact NH1-OG 3.37Å; R31-I45 CarbonylContact C-O 3.57Å; R31-I45 WeakPolarHBondContact CA-O 3.31Å; R31-I45 WeakPolarHBondContact CB-O 3.47Å
32	L	92.4	Very high	85.8	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.6	167.3	-53.1	178.4	0	0	0	107.9	F25 L27 F34 S44 I45 V50 I63 I88 L91	F25-L32 HydrophobicContact CE2-CB 4.13Å; F25-L32 HydrophobicContact CE2-CD2 3.87Å; F25-L32 HydrophobicContact CE2-CG 4.48Å; F25-L32 HydrophobicContact CZ-CD2 3.92Å; L27-L32 HydrophobicContact CD1-CD2 3.48Å; L27-L32 VanDerWaalsContact CD1-CD2 3.48Å; L32-F34 HydrophobicContact CB-CD2 4.48Å; L32-F34 HydrophobicContact CB-CE2 3.81Å; L32-S44 CarbonylContact O-C 3.26Å; L32-S44 VanDerWaalsContact O-CA 3.31Å; L32-S44 WeakPolarHBondContact O-CA 3.22Å; L32-I45 HydrophobicContact CB-CB 4.4Å; L32-I45 PolarHBondContact N-O 3.12Å; L32-I45 PolarHBondContact O-N 3.17Å; L32-V50 HydrophobicContact CD1-CG2 3.73Å; L32-I63 HydrophobicContact CD1-CD1 3.54Å; L32-I88 HydrophobicContact CD1-CG1 4.3Å; L32-I88 HydrophobicContact CD2-CG1 4.17Å; L32-L91 HydrophobicContact CD2-CD1 4.5Å
33	I	92	Very high	85.9	Confident	11 Å²	11	53 Å²	53	6%	0.056	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.7	178.4	-53.1	176.9	0	0	0	107.4	M6 F8 F25 T26 T28 R31 S35 W43	M6-I33 HydrophobicContact SD-CB 4.48Å; M6-I33 HydrophobicContact SD-CD1 4.38Å; M6-I33 HydrophobicContact SD-CG2 4.05Å; F8-I33 HydrophobicContact CE1-CD1 4.2Å; F25-I33 CarbonylContact C-O 3.59Å; F25-I33 WeakPolarHBondContact CA-O 3.46Å; T26-I33 PolarHBondContact N-O 3.41Å; T26-I33 PolarHBondContact O-N 3.36Å; T28-I33 HydrophobicContact CG2-CD1 3.88Å; R31-I33 HydrophobicContact CG-CD1 4.2Å; R31-I33 HydrophobicContact CG-CG1 3.76Å; I33-S35 WeakPolarHBondContact CG2-OG 3.41Å; I33-W43 WeakPolarHBondContact CA-O 3.29Å
34	F	88.9	Confident	86	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	104.7	172.6	-63.1	-93.1	0	0	0	107.5	I20 F25 L32 S42 W43 I63 W73	I20-F34 HydrophobicContact CD1-CD1 4.41Å; F25-F34 HydrophobicContact CB-CD1 4.13Å; F25-F34 HydrophobicContact CB-CE1 4.18Å; F25-F34 AromaticContact CD2-CD1 3.68Å; F25-F34 HydrophobicContact CD2-CD1 3.68Å; F25-F34 HydrophobicContact CD2-CD2 4.4Å; F25-F34 AromaticContact CD2-CE1 3.23Å; F25-F34 HydrophobicContact CD2-CE1 3.23Å; F25-F34 HydrophobicContact CD2-CE2 4.03Å; F25-F34 HydrophobicContact CD2-CG 4.24Å; F25-F34 AromaticContact CD2-CZ 3.42Å; F25-F34 HydrophobicContact CD2-CZ 3.42Å; F25-F34 VanDerWaalsContact CD2-CZ 3.42Å; F25-F34 AromaticContact CE2-CE1 3.84Å; F25-F34 HydrophobicContact CE2-CE1 3.84Å; F25-F34 HydrophobicContact CE2-CE2 4.07Å; F25-F34 AromaticContact CE2-CZ 3.53Å; F25-F34 HydrophobicContact CE2-CZ 3.53Å; F25-F34 HydrophobicContact CG-CD1 4.33Å; F25-F34 AromaticContact CG-CE1 3.96Å; F25-F34 HydrophobicContact CG-CE1 3.96Å; F25-F34 HydrophobicContact CG-CZ 4.49Å; L32-F34 HydrophobicContact CB-CD2 4.48Å; L32-F34 HydrophobicContact CB-CE2 3.81Å; F34-S42 CarbonylContact O-C 3.55Å; F34-S42 WeakPolarHBondContact O-CA 3.48Å; F34-W43 HydrophobicContact CB-CB 4.46Å; F34-W43 PolarHBondContact N-O 3.43Å; F34-W43 PolarHBondContact O-N 3.36Å; F34-I63 HydrophobicContact CE2-CD1 3.79Å; F34-I63 HydrophobicContact CZ-CD1 3.63Å; F34-W73 HydrophobicContact CB-CD2 3.89Å; F34-W73 HydrophobicContact CB-CE3 3.78Å; F34-W73 HydrophobicContact CB-CH2 3.26Å; F34-W73 HydrophobicContact CB-CZ2 3.37Å; F34-W73 HydrophobicContact CB-CZ3 3.47Å; F34-W73 VanDerWaalsContact CB-CZ3 3.47Å; F34-W73 HydrophobicContact CD1-CB 4.13Å; F34-W73 AromaticContact CD1-CD1 3.77Å; F34-W73 AromaticContact CD1-CD2 3.28Å; F34-W73 HydrophobicContact CD1-CD2 3.28Å; F34-W73 AromaticContact CD1-CE2 3.54Å; F34-W73 AromaticContact CD1-CE3 3.72Å; F34-W73 HydrophobicContact CD1-CE3 3.72Å; F34-W73 AromaticContact CD1-CG 3.46Å; F34-W73 HydrophobicContact CD1-CG 3.46Å; F34-W73 VanDerWaalsContact CD1-CG 3.46Å; F34-W73 HydrophobicContact CD1-CZ2 4.18Å; F34-W73 HydrophobicContact CD1-CZ3 4.33Å; F34-W73 AromaticContact CD1-NE1 3.78Å; F34-W73 HydrophobicContact CD2-CD2 4.18Å; F34-W73 AromaticContact CD2-CE2 3.51Å; F34-W73 HydrophobicContact CD2-CH2 4.49Å; F34-W73 AromaticContact CD2-CZ2 3.7Å; F34-W73 HydrophobicContact CD2-CZ2 3.7Å; F34-W73 AromaticContact CD2-NE1 3.51Å; F34-W73 HydrophobicContact CE1-CB 3.89Å; F34-W73 AromaticContact CE1-CD1 3.4Å; F34-W73 VanDerWaalsContact CE1-CD1 3.4Å; F34-W73 AromaticContact CE1-CD2 3.76Å; F34-W73 HydrophobicContact CE1-CD2 3.76Å; F34-W73 AromaticContact CE1-CE2 3.99Å; F34-W73 AromaticContact CE1-CG 3.38Å; F34-W73 HydrophobicContact CE1-CG 3.38Å; F34-W73 AromaticContact CE1-NE1 3.74Å; F34-W73 AromaticContact CE2-CD1 3.89Å; F34-W73 AromaticContact CE2-CE2 3.98Å; F34-W73 AromaticContact CE2-NE1 3.48Å; F34-W73 AromaticContact CG-CD2 3.52Å; F34-W73 HydrophobicContact CG-CD2 3.52Å; F34-W73 AromaticContact CG-CE2 3.28Å; F34-W73 AromaticContact CG-CE3 3.91Å; F34-W73 HydrophobicContact CG-CE3 3.91Å; F34-W73 HydrophobicContact CG-CG 4.08Å; F34-W73 AromaticContact CG-CH2 3.9Å; F34-W73 HydrophobicContact CG-CH2 3.9Å; F34-W73 AromaticContact CG-CZ2 3.5Å; F34-W73 HydrophobicContact CG-CZ2 3.5Å; F34-W73 VanDerWaalsContact CG-CZ2 3.5Å; F34-W73 HydrophobicContact CG-CZ3 4.09Å; F34-W73 AromaticContact CG-NE1 3.67Å; F34-W73 AromaticContact CZ-CD1 3.48Å; F34-W73 VanDerWaalsContact CZ-CD1 3.48Å; F34-W73 HydrophobicContact CZ-CD2 4.39Å; F34-W73 AromaticContact CZ-CG 3.97Å; F34-W73 HydrophobicContact CZ-CG 3.97Å; F34-W73 AromaticContact CZ-NE1 3.59Å
35	S	87.7	Confident	86.2	Confident	6 Å²	6	53 Å²	53	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.5	-178.4	-64.2	0	0	0	0	109.7	G23 I24 I33	G23-S35 CarbonylContact C-O 3.59Å; G23-S35 VanDerWaalsContact CA-O 3.29Å; G23-S35 WeakPolarHBondContact CA-O 3.47Å; I24-S35 PolarHBondContact N-O 3.45Å; I24-S35 PolarHBondContact O-N 2.77Å; I33-S35 WeakPolarHBondContact CG2-OG 3.41Å
36	T	84.5	Confident	86.3	Confident	20 Å²	20	54.1 Å²	54.1	12%	0.123	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	166.6	175.1	64.7	0	0	0	0	111.3	D22 R38 S41 W73	D22-T36 CarbonylContact O-C 3.39Å; D22-T36 WeakPolarHBondContact O-CA 3.43Å; D22-T36 WeakPolarHBondContact O-CB 3.47Å; T36-R38 PolarHBondContact O-N 3.23Å; T36-R38 VanDerWaalsContact O-N 3.1Å; T36-R38 PolarHBondContact OG1-O 2.69Å; T36-R38 VanDerWaalsContact OG1-O 3.13Å; T36-S41 VanDerWaalsContact CG2-O 3.24Å; T36-S41 WeakPolarHBondContact CG2-O 3.5Å; T36-S41 WeakPolarHBondContact OG1-CB 3.45Å; T36-S41 PolarHBondContact OG1-O 3.35Å; T36-W73 HydrophobicContact CG2-CZ3 4.39Å
37	K	80.3	Confident	86.2	Confident	149 Å²	149	54.9 Å²	54.9	65%	0.648	27%	0.274	S	S	*	.	S	Bend	trans	-61.4	-15.4	173.8	-67.6	177.9	-169.6	159.5	0	112.8	D22	D22-K37 PolarHBondContact O-N 3.43Å; D22-K37 WeakPolarHBondContact OD1-CD 3.22Å
38	R	78.1	Confident	86.1	Confident	169 Å²	169	57.6 Å²	57.6	64%	0.638	29%	0.291	S	S	*	.	S	Bend	trans	-92.4	114.5	173.3	-58.2	-177.8	-155.5	172.3	4.9	108.6	T36 Q40 S41	T36-R38 PolarHBondContact O-N 3.23Å; T36-R38 VanDerWaalsContact O-N 3.1Å; T36-R38 PolarHBondContact OG1-O 2.69Å; T36-R38 VanDerWaalsContact OG1-O 3.13Å; R38-Q40 PolarHBondContact O-N 3.1Å; R38-S41 PolarHBondContact O-N 2.78Å
39	P	65.3	Low	86.1	Confident	116 Å²	116	60.1 Å²	60.1	75%	0.753	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-30	-171.9	-25.9	32.3	0	0	0	115	S41	P39-S41 VanDerWaalsContact C-N 3.32Å
40	Q	69.5	Low	86.3	Confident	183 Å²	183	58.9 Å²	58.9	86%	0.855	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1.1	-178.7	-64	-65.5	-15.5	0	0	113.9	R38	R38-Q40 PolarHBondContact O-N 3.1Å
41	S	76.7	Confident	86.2	Confident	50 Å²	50	63.6 Å²	63.6	35%	0.35	32%	0.315	S	S	.	.			trans	-119	45.7	-176.7	-60.4	0	0	0	0	110.3	T36 R38 P39	T36-S41 VanDerWaalsContact CG2-O 3.24Å; T36-S41 WeakPolarHBondContact CG2-O 3.5Å; T36-S41 WeakPolarHBondContact OG1-CB 3.45Å; T36-S41 PolarHBondContact OG1-O 3.35Å; R38-S41 PolarHBondContact O-N 2.78Å; P39-S41 VanDerWaalsContact C-N 3.32Å
42	S	83	Confident	86.2	Confident	69 Å²	69	66.1 Å²	66.1	48%	0.483	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	139.3	168.4	59.8	0	0	0	0	110.4	F34	F34-S42 CarbonylContact O-C 3.55Å; F34-S42 WeakPolarHBondContact O-CA 3.48Å
43	W	88.2	Confident	86.3	Confident	125 Å²	125	66.5 Å²	66.5	47%	0.473	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.3	177.7	-76.9	71.1	0	0	0	109.6	I33 F34 I69 V71 W73	I33-W43 WeakPolarHBondContact CA-O 3.29Å; F34-W43 HydrophobicContact CB-CB 4.46Å; F34-W43 PolarHBondContact N-O 3.43Å; F34-W43 PolarHBondContact O-N 3.36Å; W43-I69 HydrophobicContact CZ3-CG2 4.48Å; W43-V71 HydrophobicContact CE3-CG2 4.09Å; W43-V71 HydrophobicContact CZ3-CG2 4.11Å; W43-W73 HydrophobicContact CB-CH2 3.66Å; W43-W73 HydrophobicContact CB-CZ2 3.49Å; W43-W73 VanDerWaalsContact CB-CZ2 3.49Å; W43-W73 AromaticContact CD1-CH2 3.54Å; W43-W73 HydrophobicContact CD2-CZ2 4.49Å; W43-W73 AromaticContact CG-CH2 3.69Å; W43-W73 HydrophobicContact CG-CH2 3.69Å; W43-W73 AromaticContact CG-CZ2 3.71Å; W43-W73 HydrophobicContact CG-CZ2 3.71Å
44	S	91.1	Very high	86.5	Confident	56 Å²	56	68.9 Å²	68.9	39%	0.392	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	120.5	-177.3	-161.1	0	0	0	0	109.8	R31 L32	R31-S44 WeakPolarHBondContact CD-OG 3.44Å; R31-S44 PolarHBondContact NH1-OG 3.37Å; L32-S44 CarbonylContact O-C 3.26Å; L32-S44 VanDerWaalsContact O-CA 3.31Å; L32-S44 WeakPolarHBondContact O-CA 3.22Å
45	I	92.9	Very high	86.7	Confident	10 Å²	10	70.9 Å²	70.9	5%	0.051	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	107.6	-175.4	-54.3	175.2	0	0	0	108.3	R31 L32 T47 L49 V50 I63 T65 V71	R31-I45 CarbonylContact C-O 3.57Å; R31-I45 WeakPolarHBondContact CA-O 3.31Å; R31-I45 WeakPolarHBondContact CB-O 3.47Å; L32-I45 HydrophobicContact CB-CB 4.4Å; L32-I45 PolarHBondContact N-O 3.12Å; L32-I45 PolarHBondContact O-N 3.17Å; I45-T47 PolarHBondContact O-N 3.36Å; I45-L49 HydrophobicContact CG2-CB 4.4Å; I45-V50 HydrophobicContact CG2-CG2 4.03Å; I45-I63 HydrophobicContact CD1-CG2 4.24Å; I45-T65 HydrophobicContact CD1-CG2 4.46Å; I45-T65 HydrophobicContact CG2-CG2 3.86Å; I45-V71 HydrophobicContact CD1-CB 4.45Å; I45-V71 HydrophobicContact CD1-CG2 4.1Å
46	P	92.5	Very high	87.1	Confident	23 Å²	23	74.2 Å²	74.2	15%	0.149	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.5	135.9	170.5	-27.4	32.8	0	0	0	111.8	Y30 T48 L49	Y30-P46 HydrophobicContact CE2-CB 4.18Å; P46-T48 PolarHBondContact O-N 3.38Å; P46-T48 VanDerWaalsContact O-N 3.13Å; P46-L49 HydrophobicContact CB-CD1 4.41Å; P46-L49 HydrophobicContact CB-CG 4.15Å; P46-L49 HydrophobicContact CG-CD1 4.07Å; P46-L49 HydrophobicContact CG-CG 4.35Å; P46-L49 WeakPolarHBondContact O-CB 3.3Å; P46-L49 PolarHBondContact O-N 2.85Å
47	T	90.4	Very high	87.6	Confident	19 Å²	19	79.9 Å²	79.9	12%	0.117	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.2	-179.1	57.2	0	0	0	0	112	L27 Y30 I45 L49 V50 L91 R96	L27-T47 HydrophobicContact CD1-CG2 4.3Å; Y30-T47 PolarHBondContact O-N 2.76Å; Y30-T47 PolarHBondContact O-OG1 2.88Å; Y30-T47 VanDerWaalsContact O-OG1 3.12Å; I45-T47 PolarHBondContact O-N 3.36Å; T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 2.95Å; T47-V50 PolarHBondContact O-N 2.85Å; T47-L91 HydrophobicContact CG2-CD1 4.2Å; T47-R96 PolarHBondContact O-NH1 3.38Å
48	T	89.1	Confident	88.2	Confident	60 Å²	60	78.8 Å²	78.8	37%	0.368	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.3	173.7	53.8	0	0	0	0	113.9	P46 K66	P46-T48 PolarHBondContact O-N 3.38Å; P46-T48 VanDerWaalsContact O-N 3.13Å; T48-K66 WeakPolarHBondContact O-CD 3.4Å; T48-K66 WeakPolarHBondContact O-CE 3.38Å; T48-K66 PolarHBondContact O-NZ 2.91Å
49	L	92.1	Very high	88.9	Confident	53 Å²	53	73.6 Å²	73.6	28%	0.277	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-17.5	177.3	-68.9	-172.5	0	0	0	113.1	I45 P46 T47 W51 T65 K66 I67	I45-L49 HydrophobicContact CG2-CB 4.4Å; P46-L49 HydrophobicContact CB-CD1 4.41Å; P46-L49 HydrophobicContact CB-CG 4.15Å; P46-L49 HydrophobicContact CG-CD1 4.07Å; P46-L49 HydrophobicContact CG-CG 4.35Å; P46-L49 WeakPolarHBondContact O-CB 3.3Å; P46-L49 PolarHBondContact O-N 2.85Å; T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 2.95Å; L49-W51 PolarHBondContact O-N 3.27Å; L49-T65 CarbonylContact O-C 3.56Å; L49-T65 WeakPolarHBondContact O-CA 3.08Å; L49-K66 PolarHBondContact O-N 3.3Å; L49-I67 HydrophobicContact CD1-CD1 4.48Å; L49-I67 HydrophobicContact CD2-CG2 4.23Å
50	V	92.5	Very high	90.3	Very high	7 Å²	7	69.6 Å²	69.6	4%	0.042	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.2	175.3	-177.2	0	0	0	0	108.6	L32 I45 T47 I63 I92	L32-V50 HydrophobicContact CD1-CG2 3.73Å; I45-V50 HydrophobicContact CG2-CG2 4.03Å; T47-V50 PolarHBondContact O-N 2.85Å; V50-I63 HydrophobicContact CG1-CG2 4.07Å; V50-I63 HydrophobicContact CG2-CG2 4.13Å; V50-I92 HydrophobicContact CB-CG1 4.4Å; V50-I92 HydrophobicContact CG1-CD1 3.51Å; V50-I92 HydrophobicContact CG1-CG1 3.72Å
51	W	91.5	Very high	91.5	Very high	167 Å²	167	61 Å²	61	63%	0.633	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	-45	175.5	174.7	38.8	0	0	0	111	L49 I64 K66	L49-W51 PolarHBondContact O-N 3.27Å; W51-I64 WeakPolarHBondContact CA-O 3.49Å; W51-I64 WeakPolarHBondContact CB-O 3.4Å; W51-I64 HydrophobicContact CE3-CB 4.25Å; W51-I64 HydrophobicContact CE3-CG2 3.59Å; W51-I64 HydrophobicContact CZ3-CG2 3.96Å; W51-I64 PolarHBondContact N-O 3.38Å; W51-K66 HydrophobicContact CB-CG 3.88Å
52	K	92.5	Very high	92.4	Very high	94 Å²	94	61.7 Å²	61.7	41%	0.409	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147.4	-179.3	-167.1	-178.1	-174.8	-170.5	0	110.1	E54 I64	K52-E54 HydrophobicContact CD-CG 4.14Å; K52-E54 WeakPolarHBondContact CE-OE1 3.44Å; K52-E54 HydrophobicContact CG-CG 4.33Å; K52-E54 IonicContact NZ-OE1 3.27Å; K52-E54 PolarHBondContact NZ-OE1 2.76Å; K52-I64 HydrophobicContact CB-CB 4.24Å; K52-I64 HydrophobicContact CB-CD1 4.37Å; K52-I64 HydrophobicContact CB-CG1 4.49Å; K52-I64 HydrophobicContact CD-CD1 4.29Å; K52-I64 PolarHBondContact N-O 3.48Å; K52-I64 VanDerWaalsContact N-O 3.12Å; K52-I64 PolarHBondContact O-N 3.48Å
53	A	94.1	Very high	93	Very high	9 Å²	9	58.4 Å²	58.4	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.3	165.7	0	0	0	0	0	109.4	K62 Y85 I88 I92	A53-K62 CarbonylContact C-O 3.54Å; A53-K62 VanDerWaalsContact CA-O 3.31Å; A53-K62 WeakPolarHBondContact CA-O 3.35Å; A53-Y85 HydrophobicContact CB-CD2 4.35Å; A53-Y85 HydrophobicContact CB-CE2 3.96Å; A53-I88 HydrophobicContact CB-CG2 3.64Å; A53-I92 HydrophobicContact CB-CD1 3.94Å
54	E	94.9	Very high	93.3	Very high	62 Å²	62	53.8 Å²	53.8	29%	0.29	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	121.6	177.3	-62.8	176.9	145.9	0	0	108.6	K52 I61 K62	K52-E54 HydrophobicContact CD-CG 4.14Å; K52-E54 WeakPolarHBondContact CE-OE1 3.44Å; K52-E54 HydrophobicContact CG-CG 4.33Å; K52-E54 IonicContact NZ-OE1 3.27Å; K52-E54 PolarHBondContact NZ-OE1 2.76Å; E54-I61 CarbonylContact O-C 3.59Å; E54-I61 WeakPolarHBondContact O-CA 3.46Å; E54-K62 HydrophobicContact CB-CB 4.5Å; E54-K62 PolarHBondContact N-O 3.33Å; E54-K62 PolarHBondContact O-N 3.48Å
55	A	94.8	Very high	93.4	Very high	42 Å²	42	51.4 Å²	51.4	35%	0.347	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136.4	168.1	0	0	0	0	0	109.8	H60 Y85	A55-H60 CarbonylContact C-O 3.47Å; A55-H60 VanDerWaalsContact CA-O 3.29Å; A55-H60 WeakPolarHBondContact CA-O 3.43Å; A55-Y85 HydrophobicContact CB-CD1 4.03Å; A55-Y85 HydrophobicContact CB-CD2 3.77Å; A55-Y85 HydrophobicContact CB-CE1 4.27Å; A55-Y85 HydrophobicContact CB-CE2 4.03Å; A55-Y85 HydrophobicContact CB-CG 3.77Å
56	F	96.2	Very high	93.5	Very high	75 Å²	75	57 Å²	57	33%	0.329	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	159.6	178.5	68.1	-78.7	0	0	0	111	M58 H60 K62 T72	F56-M58 PolarHBondContact O-N 2.83Å; F56-H60 HydrophobicContact CD1-CB 3.87Å; F56-H60 HydrophobicContact CD2-CB 4.06Å; F56-H60 HydrophobicContact CE1-CB 3.48Å; F56-H60 VanDerWaalsContact CE1-CB 3.48Å; F56-H60 HydrophobicContact CE2-CB 3.7Å; F56-H60 HydrophobicContact CG-CB 4.14Å; F56-H60 HydrophobicContact CZ-CB 3.4Å; F56-H60 VanDerWaalsContact CZ-CB 3.4Å; F56-H60 PolarHBondContact N-O 3.12Å; F56-H60 WeakPolarHBondContact O-CB 3.41Å; F56-H60 PolarHBondContact O-N 3.32Å; F56-K62 HydrophobicContact CD1-CB 4.42Å; F56-K62 HydrophobicContact CE1-CB 3.9Å; F56-T72 HydrophobicContact CE1-CG2 3.87Å; F56-T72 HydrophobicContact CZ-CG2 3.6Å
57	E	93.6	Very high	93.5	Very high	140 Å²	140	61 Å²	61	65%	0.654	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	29.3	176.8	-76.3	172.6	-156.2	0	0	114	I59 H60	E57-I59 PolarHBondContact O-N 3.35Å; E57-H60 IonicContact OE2-CD2 2.83Å; E57-H60 PolarHBondContact OE2-CD2 2.56Å; E57-H60 IonicContact OE2-NE2 2.91Å
58	M	92.6	Very high	93.6	Very high	125 Å²	125	63.3 Å²	63.3	62%	0.616	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	-27.2	179.4	-58.2	175.2	-71.1	0	0	116.1	F56 E78 C81	F56-M58 PolarHBondContact O-N 2.83Å; M58-E78 HydrophobicContact CB-CB 4.41Å; M58-E78 HydrophobicContact CB-CG 4.11Å; M58-E78 WeakPolarHBondContact O-CA 3.37Å; M58-C81 VanDerWaalsContact O-CB 3.26Å; M58-C81 WeakPolarHBondContact O-CB 3.27Å; M58-C81 PolarHBondContact O-SG 3.11Å
59	I	94.2	Very high	93.8	Very high	60 Å²	60	64.1 Å²	64.1	31%	0.308	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-0.6	-174.5	65.9	170.4	0	0	0	114.2	E57 S74 F75 C81	E57-I59 PolarHBondContact O-N 3.35Å; I59-S74 CarbonylContact O-C 3.52Å; I59-S74 WeakPolarHBondContact O-CA 3.3Å; I59-F75 PolarHBondContact O-N 2.67Å; I59-C81 VanDerWaalsContact C-SG 3.52Å
60	H	94.8	Very high	93.9	Very high	33 Å²	33	64.5 Å²	64.5	15%	0.153	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.4	-176	-61.8	-68	0	0	0	112.3	A55 F56 E57 T72 W73 S74	A55-H60 CarbonylContact C-O 3.47Å; A55-H60 VanDerWaalsContact CA-O 3.29Å; A55-H60 WeakPolarHBondContact CA-O 3.43Å; F56-H60 HydrophobicContact CD1-CB 3.87Å; F56-H60 HydrophobicContact CD2-CB 4.06Å; F56-H60 HydrophobicContact CE1-CB 3.48Å; F56-H60 VanDerWaalsContact CE1-CB 3.48Å; F56-H60 HydrophobicContact CE2-CB 3.7Å; F56-H60 HydrophobicContact CG-CB 4.14Å; F56-H60 HydrophobicContact CZ-CB 3.4Å; F56-H60 VanDerWaalsContact CZ-CB 3.4Å; F56-H60 PolarHBondContact N-O 3.12Å; F56-H60 WeakPolarHBondContact O-CB 3.41Å; F56-H60 PolarHBondContact O-N 3.32Å; E57-H60 IonicContact OE2-CD2 2.83Å; E57-H60 PolarHBondContact OE2-CD2 2.56Å; E57-H60 IonicContact OE2-NE2 2.91Å; H60-T72 HydrophobicContact CB-CG2 4.44Å; H60-W73 VanDerWaalsContact CA-O 3.3Å; H60-W73 WeakPolarHBondContact CA-O 3.45Å; H60-S74 VanDerWaalsContact CE1-CB 3.49Å; H60-S74 WeakPolarHBondContact CE1-CB 3.31Å; H60-S74 PolarHBondContact CE1-OG 2.77Å; H60-S74 WeakPolarHBondContact ND1-CB 3.34Å; H60-S74 PolarHBondContact ND1-OG 3.15Å
61	I	94.7	Very high	93.9	Very high	1 Å²	1	65 Å²	65	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125	168.2	-56.5	-178.5	0	0	0	109	E54 I63 T72 W73 F75 Y85 I88	E54-I61 CarbonylContact O-C 3.59Å; E54-I61 WeakPolarHBondContact O-CA 3.46Å; I61-I63 HydrophobicContact CG2-CG1 4.23Å; I61-T72 WeakPolarHBondContact O-CA 3.19Å; I61-W73 PolarHBondContact N-O 2.83Å; I61-W73 PolarHBondContact O-N 3.37Å; I61-F75 HydrophobicContact CB-CE2 4Å; I61-F75 HydrophobicContact CD1-CD2 4.12Å; I61-F75 HydrophobicContact CD1-CE2 3.35Å; I61-F75 HydrophobicContact CD1-CZ 3.63Å; I61-F75 HydrophobicContact CG1-CD2 4.07Å; I61-F75 HydrophobicContact CG1-CE2 3.58Å; I61-F75 HydrophobicContact CG1-CZ 4.37Å; I61-Y85 HydrophobicContact CD1-CD2 4.42Å; I61-Y85 HydrophobicContact CG2-CD2 4.35Å; I61-I88 HydrophobicContact CD1-CD1 4.22Å; I61-I88 HydrophobicContact CG2-CD1 4.28Å
62	K	95	Very high	93.9	Very high	66 Å²	66	60.5 Å²	60.5	29%	0.287	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.3	168.7	-178	179.8	178.5	-170.9	0	109.9	A53 E54 F56 I64 V71	A53-K62 CarbonylContact C-O 3.54Å; A53-K62 VanDerWaalsContact CA-O 3.31Å; A53-K62 WeakPolarHBondContact CA-O 3.35Å; E54-K62 HydrophobicContact CB-CB 4.5Å; E54-K62 PolarHBondContact N-O 3.33Å; E54-K62 PolarHBondContact O-N 3.48Å; F56-K62 HydrophobicContact CD1-CB 4.42Å; F56-K62 HydrophobicContact CE1-CB 3.9Å; K62-I64 HydrophobicContact CG-CG1 4.45Å; K62-V71 CarbonylContact C-O 3.53Å; K62-V71 WeakPolarHBondContact CA-O 3.45Å
63	I	94.5	Very high	93.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.8	174	-62.9	175.1	0	0	0	108.1	L32 F34 I45 V50 I61 T65 S70 V71 I88	L32-I63 HydrophobicContact CD1-CD1 3.54Å; F34-I63 HydrophobicContact CE2-CD1 3.79Å; F34-I63 HydrophobicContact CZ-CD1 3.63Å; I45-I63 HydrophobicContact CD1-CG2 4.24Å; V50-I63 HydrophobicContact CG1-CG2 4.07Å; V50-I63 HydrophobicContact CG2-CG2 4.13Å; I61-I63 HydrophobicContact CG2-CG1 4.23Å; I63-T65 HydrophobicContact CG2-CG2 4.4Å; I63-S70 CarbonylContact O-C 3.6Å; I63-S70 VanDerWaalsContact O-CA 3.24Å; I63-S70 WeakPolarHBondContact O-CA 3.33Å; I63-V71 PolarHBondContact N-O 3.5Å; I63-V71 PolarHBondContact O-N 2.94Å; I63-I88 HydrophobicContact CD1-CD1 4.19Å
64	I	94.5	Very high	93.7	Very high	27 Å²	27	59 Å²	59	14%	0.138	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126	172.8	-47.4	179.6	0	0	0	107.7	W51 K52 K62	W51-I64 WeakPolarHBondContact CA-O 3.49Å; W51-I64 WeakPolarHBondContact CB-O 3.4Å; W51-I64 HydrophobicContact CE3-CB 4.25Å; W51-I64 HydrophobicContact CE3-CG2 3.59Å; W51-I64 HydrophobicContact CZ3-CG2 3.96Å; W51-I64 PolarHBondContact N-O 3.38Å; K52-I64 HydrophobicContact CB-CB 4.24Å; K52-I64 HydrophobicContact CB-CD1 4.37Å; K52-I64 HydrophobicContact CB-CG1 4.49Å; K52-I64 HydrophobicContact CD-CD1 4.29Å; K52-I64 PolarHBondContact N-O 3.48Å; K52-I64 VanDerWaalsContact N-O 3.12Å; K52-I64 PolarHBondContact O-N 3.48Å; K62-I64 HydrophobicContact CG-CG1 4.45Å
65	T	94.8	Very high	93.5	Very high	6 Å²	6	56.2 Å²	56.2	4%	0.037	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	157.3	-178.2	67.6	0	0	0	0	112	I45 L49 I63 I67 G68 I69	I45-T65 HydrophobicContact CD1-CG2 4.46Å; I45-T65 HydrophobicContact CG2-CG2 3.86Å; L49-T65 CarbonylContact O-C 3.56Å; L49-T65 WeakPolarHBondContact O-CA 3.08Å; I63-T65 HydrophobicContact CG2-CG2 4.4Å; T65-I67 PolarHBondContact O-N 2.86Å; T65-I67 WeakPolarHBondContact OG1-CG1 3.35Å; T65-G68 PolarHBondContact O-N 3.48Å; T65-G68 VanDerWaalsContact O-N 3.15Å; T65-I69 WeakPolarHBondContact CB-O 3.47Å; T65-I69 WeakPolarHBondContact CG2-O 3.41Å; T65-I69 PolarHBondContact N-O 2.91Å; T65-I69 PolarHBondContact OG1-N 3.49Å; T65-I69 VanDerWaalsContact OG1-N 3.12Å; T65-I69 PolarHBondContact OG1-O 2.93Å
66	K	93.7	Very high	93.4	Very high	127 Å²	127	58.2 Å²	58.2	55%	0.552	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.9	174.3	-65.8	177.6	-176.7	167.7	0	113.7	T48 L49 W51 G68	T48-K66 WeakPolarHBondContact O-CD 3.4Å; T48-K66 WeakPolarHBondContact O-CE 3.38Å; T48-K66 PolarHBondContact O-NZ 2.91Å; L49-K66 PolarHBondContact O-N 3.3Å; W51-K66 HydrophobicContact CB-CG 3.88Å; K66-G68 VanDerWaalsContact C-N 3.35Å
67	I	93.8	Very high	93.2	Very high	108 Å²	108	58 Å²	58	55%	0.554	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	11.5	177.3	61.6	170.4	0	0	0	112.9	L49 T65 I69	L49-I67 HydrophobicContact CD1-CD1 4.48Å; L49-I67 HydrophobicContact CD2-CG2 4.23Å; T65-I67 PolarHBondContact O-N 2.86Å; T65-I67 WeakPolarHBondContact OG1-CG1 3.35Å; I67-I69 VanDerWaalsContact C-N 3.28Å; I67-I69 HydrophobicContact CD1-CD1 3.72Å; I67-I69 HydrophobicContact CD1-CG1 4.2Å; I67-I69 HydrophobicContact CG1-CB 4.37Å; I67-I69 HydrophobicContact CG1-CD1 4.25Å; I67-I69 HydrophobicContact CG1-CG1 4.16Å; I67-I69 PolarHBondContact O-N 3.38Å
68	G	92.5	Very high	93.2	Very high	68 Å²	68	56 Å²	56	70%	0.701	31%	0.309	S	S	*	.	S	Bend	trans	80.1	3.8	176.4	0	0	0	0	0	114.9	T65 K66	T65-G68 PolarHBondContact O-N 3.48Å; T65-G68 VanDerWaalsContact O-N 3.15Å; K66-G68 VanDerWaalsContact C-N 3.35Å
69	I	93	Very high	93.2	Very high	76 Å²	76	56.6 Å²	56.6	39%	0.39	31%	0.314	S	S	.	.			trans	-87.9	134.2	174.4	-60.4	179.5	0	0	0	109.1	W43 T65 I67 V71	W43-I69 HydrophobicContact CZ3-CG2 4.48Å; T65-I69 WeakPolarHBondContact CB-O 3.47Å; T65-I69 WeakPolarHBondContact CG2-O 3.41Å; T65-I69 PolarHBondContact N-O 2.91Å; T65-I69 PolarHBondContact OG1-N 3.49Å; T65-I69 VanDerWaalsContact OG1-N 3.12Å; T65-I69 PolarHBondContact OG1-O 2.93Å; I67-I69 VanDerWaalsContact C-N 3.28Å; I67-I69 HydrophobicContact CD1-CD1 3.72Å; I67-I69 HydrophobicContact CD1-CG1 4.2Å; I67-I69 HydrophobicContact CG1-CB 4.37Å; I67-I69 HydrophobicContact CG1-CD1 4.25Å; I67-I69 HydrophobicContact CG1-CG1 4.16Å; I67-I69 PolarHBondContact O-N 3.38Å; I69-V71 HydrophobicContact CG2-CG2 3.87Å
70	S	93.6	Very high	93.1	Very high	62 Å²	62	54.3 Å²	54.3	43%	0.434	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.6	169.4	-60.3	0	0	0	0	110	I63	I63-S70 CarbonylContact O-C 3.6Å; I63-S70 VanDerWaalsContact O-CA 3.24Å; I63-S70 WeakPolarHBondContact O-CA 3.33Å
71	V	92	Very high	93	Very high	17 Å²	17	52.8 Å²	52.8	10%	0.103	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.6	178.7	-163.5	0	0	0	0	109.4	W43 I45 K62 I63 I69 W73	W43-V71 HydrophobicContact CE3-CG2 4.09Å; W43-V71 HydrophobicContact CZ3-CG2 4.11Å; I45-V71 HydrophobicContact CD1-CB 4.45Å; I45-V71 HydrophobicContact CD1-CG2 4.1Å; K62-V71 CarbonylContact C-O 3.53Å; K62-V71 WeakPolarHBondContact CA-O 3.45Å; I63-V71 PolarHBondContact N-O 3.5Å; I63-V71 PolarHBondContact O-N 2.94Å; I69-V71 HydrophobicContact CG2-CG2 3.87Å; V71-W73 HydrophobicContact CG1-CD2 4.39Å; V71-W73 VanDerWaalsContact CG1-CE2 3.41Å; V71-W73 HydrophobicContact CG1-CH2 4.43Å; V71-W73 HydrophobicContact CG1-CZ2 3.44Å; V71-W73 VanDerWaalsContact CG1-CZ2 3.44Å; V71-W73 VanDerWaalsContact CG1-NE1 3.29Å
72	T	93	Very high	92.9	Very high	72 Å²	72	56.8 Å²	56.8	44%	0.442	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.1	180	-59.5	0	0	0	0	109.5	F56 H60 I61	F56-T72 HydrophobicContact CE1-CG2 3.87Å; F56-T72 HydrophobicContact CZ-CG2 3.6Å; H60-T72 HydrophobicContact CB-CG2 4.44Å; I61-T72 WeakPolarHBondContact O-CA 3.19Å
73	W	88.9	Confident	92.7	Very high	26 Å²	26	55 Å²	55	10%	0.098	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.2	-178.7	-58.7	96.2	0	0	0	110.8	I20 F34 T36 W43 H60 I61 V71 F75	I20-W73 HydrophobicContact CD1-CE3 4.22Å; F34-W73 HydrophobicContact CB-CD2 3.89Å; F34-W73 HydrophobicContact CB-CE3 3.78Å; F34-W73 HydrophobicContact CB-CH2 3.26Å; F34-W73 HydrophobicContact CB-CZ2 3.37Å; F34-W73 HydrophobicContact CB-CZ3 3.47Å; F34-W73 VanDerWaalsContact CB-CZ3 3.47Å; F34-W73 HydrophobicContact CD1-CB 4.13Å; F34-W73 AromaticContact CD1-CD1 3.77Å; F34-W73 AromaticContact CD1-CD2 3.28Å; F34-W73 HydrophobicContact CD1-CD2 3.28Å; F34-W73 AromaticContact CD1-CE2 3.54Å; F34-W73 AromaticContact CD1-CE3 3.72Å; F34-W73 HydrophobicContact CD1-CE3 3.72Å; F34-W73 AromaticContact CD1-CG 3.46Å; F34-W73 HydrophobicContact CD1-CG 3.46Å; F34-W73 VanDerWaalsContact CD1-CG 3.46Å; F34-W73 HydrophobicContact CD1-CZ2 4.18Å; F34-W73 HydrophobicContact CD1-CZ3 4.33Å; F34-W73 AromaticContact CD1-NE1 3.78Å; F34-W73 HydrophobicContact CD2-CD2 4.18Å; F34-W73 AromaticContact CD2-CE2 3.51Å; F34-W73 HydrophobicContact CD2-CH2 4.49Å; F34-W73 AromaticContact CD2-CZ2 3.7Å; F34-W73 HydrophobicContact CD2-CZ2 3.7Å; F34-W73 AromaticContact CD2-NE1 3.51Å; F34-W73 HydrophobicContact CE1-CB 3.89Å; F34-W73 AromaticContact CE1-CD1 3.4Å; F34-W73 VanDerWaalsContact CE1-CD1 3.4Å; F34-W73 AromaticContact CE1-CD2 3.76Å; F34-W73 HydrophobicContact CE1-CD2 3.76Å; F34-W73 AromaticContact CE1-CE2 3.99Å; F34-W73 AromaticContact CE1-CG 3.38Å; F34-W73 HydrophobicContact CE1-CG 3.38Å; F34-W73 AromaticContact CE1-NE1 3.74Å; F34-W73 AromaticContact CE2-CD1 3.89Å; F34-W73 AromaticContact CE2-CE2 3.98Å; F34-W73 AromaticContact CE2-NE1 3.48Å; F34-W73 AromaticContact CG-CD2 3.52Å; F34-W73 HydrophobicContact CG-CD2 3.52Å; F34-W73 AromaticContact CG-CE2 3.28Å; F34-W73 AromaticContact CG-CE3 3.91Å; F34-W73 HydrophobicContact CG-CE3 3.91Å; F34-W73 HydrophobicContact CG-CG 4.08Å; F34-W73 AromaticContact CG-CH2 3.9Å; F34-W73 HydrophobicContact CG-CH2 3.9Å; F34-W73 AromaticContact CG-CZ2 3.5Å; F34-W73 HydrophobicContact CG-CZ2 3.5Å; F34-W73 VanDerWaalsContact CG-CZ2 3.5Å; F34-W73 HydrophobicContact CG-CZ3 4.09Å; F34-W73 AromaticContact CG-NE1 3.67Å; F34-W73 AromaticContact CZ-CD1 3.48Å; F34-W73 VanDerWaalsContact CZ-CD1 3.48Å; F34-W73 HydrophobicContact CZ-CD2 4.39Å; F34-W73 AromaticContact CZ-CG 3.97Å; F34-W73 HydrophobicContact CZ-CG 3.97Å; F34-W73 AromaticContact CZ-NE1 3.59Å; T36-W73 HydrophobicContact CG2-CZ3 4.39Å; W43-W73 HydrophobicContact CB-CH2 3.66Å; W43-W73 HydrophobicContact CB-CZ2 3.49Å; W43-W73 VanDerWaalsContact CB-CZ2 3.49Å; W43-W73 AromaticContact CD1-CH2 3.54Å; W43-W73 HydrophobicContact CD2-CZ2 4.49Å; W43-W73 AromaticContact CG-CH2 3.69Å; W43-W73 HydrophobicContact CG-CH2 3.69Å; W43-W73 AromaticContact CG-CZ2 3.71Å; W43-W73 HydrophobicContact CG-CZ2 3.71Å; H60-W73 VanDerWaalsContact CA-O 3.3Å; H60-W73 WeakPolarHBondContact CA-O 3.45Å; I61-W73 PolarHBondContact N-O 2.83Å; I61-W73 PolarHBondContact O-N 3.37Å; V71-W73 HydrophobicContact CG1-CD2 4.39Å; V71-W73 VanDerWaalsContact CG1-CE2 3.41Å; V71-W73 HydrophobicContact CG1-CH2 4.43Å; V71-W73 HydrophobicContact CG1-CZ2 3.44Å; V71-W73 VanDerWaalsContact CG1-CZ2 3.44Å; V71-W73 VanDerWaalsContact CG1-NE1 3.29Å; W73-F75 HydrophobicContact CB-CE2 4.47Å
74	S	91.8	Very high	92.5	Very high	46 Å²	46	55 Å²	55	32%	0.322	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.1	177.4	-39.6	0	0	0	0	109.9	I20 A21 I59 H60	I20-S74 WeakPolarHBondContact CB-O 3.18Å; A21-S74 PolarHBondContact N-O 2.73Å; I59-S74 CarbonylContact O-C 3.52Å; I59-S74 WeakPolarHBondContact O-CA 3.3Å; H60-S74 VanDerWaalsContact CE1-CB 3.49Å; H60-S74 WeakPolarHBondContact CE1-CB 3.31Å; H60-S74 PolarHBondContact CE1-OG 2.77Å; H60-S74 WeakPolarHBondContact ND1-CB 3.34Å; H60-S74 PolarHBondContact ND1-OG 3.15Å
75	F	92.1	Very high	92.4	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.018	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-81.7	162	175.1	-73.7	-103.1	0	0	0	110.4	K18 I20 F25 I59 I61 W73 D77 A80 C81	K18-F75 HydrophobicContact CB-CE1 4.44Å; I20-F75 HydrophobicContact CG2-CD1 3.97Å; I20-F75 HydrophobicContact CG2-CE1 3.97Å; I20-F75 HydrophobicContact CG2-CG 4.3Å; I20-F75 HydrophobicContact CG2-CZ 4.27Å; F25-F75 HydrophobicContact CB-CE1 4.43Å; F25-F75 HydrophobicContact CD1-CE1 4.21Å; F25-F75 HydrophobicContact CD1-CZ 4.37Å; F25-F75 HydrophobicContact CG-CE1 4.48Å; F25-F75 HydrophobicContact CG-CZ 4.43Å; I59-F75 PolarHBondContact O-N 2.67Å; I61-F75 HydrophobicContact CB-CE2 4Å; I61-F75 HydrophobicContact CD1-CD2 4.12Å; I61-F75 HydrophobicContact CD1-CE2 3.35Å; I61-F75 HydrophobicContact CD1-CZ 3.63Å; I61-F75 HydrophobicContact CG1-CD2 4.07Å; I61-F75 HydrophobicContact CG1-CE2 3.58Å; I61-F75 HydrophobicContact CG1-CZ 4.37Å; W73-F75 HydrophobicContact CB-CE2 4.47Å; F75-D77 VanDerWaalsContact C-N 3.3Å; F75-A80 HydrophobicContact CB-CB 4.36Å; F75-A80 HydrophobicContact CD1-CB 4.1Å; F75-A80 WeakPolarHBondContact CD1-O 3.35Å; F75-C81 HydrophobicContact CB-CB 3.82Å; F75-C81 HydrophobicContact CD2-CB 4.24Å; F75-C81 HydrophobicContact CG-CB 4.01Å
76	V	92.1	Very high	92.3	Very high	84 Å²	84	59.9 Å²	59.9	51%	0.509	35%	0.345	S	S	.	.	S	Bend	trans	-67.6	-33.3	-179.1	58.2	0	0	0	0	112.3	A80	V76-A80 HydrophobicContact CG1-CB 3.9Å
77	D	92.6	Very high	91.9	Very high	69 Å²	69	56.7 Å²	56.7	37%	0.369	33%	0.332	S	S	.	.	S	Bend	trans	-154.8	171.3	179.2	56.8	50.8	0	0	0	110.5	F75 I79 A80 C81	F75-D77 VanDerWaalsContact C-N 3.3Å; D77-I79 VanDerWaalsContact C-N 3.32Å; D77-I79 PolarHBondContact O-N 2.78Å; D77-I79 PolarHBondContact OD1-N 2.95Å; D77-A80 PolarHBondContact O-N 3.03Å; D77-A80 VanDerWaalsContact OD1-CB 3.27Å; D77-A80 WeakPolarHBondContact OD1-CB 3.41Å; D77-A80 PolarHBondContact OD1-N 3.18Å; D77-C81 PolarHBondContact O-N 2.85Å
78	E	93.6	Very high	91.7	Very high	98 Å²	98	51.7 Å²	51.7	46%	0.458	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-38.5	179.8	-177.9	178	-175.2	0	0	112.1	M58 A80 C81 D82	M58-E78 HydrophobicContact CB-CB 4.41Å; M58-E78 HydrophobicContact CB-CG 4.11Å; M58-E78 WeakPolarHBondContact O-CA 3.37Å; E78-A80 PolarHBondContact O-N 3.05Å; E78-C81 WeakPolarHBondContact O-CB 3.4Å; E78-C81 PolarHBondContact O-N 3.06Å; E78-D82 WeakPolarHBondContact O-CB 3.34Å; E78-D82 PolarHBondContact O-N 3.49Å
79	I	92.5	Very high	91.6	Very high	138 Å²	138	50.1 Å²	50.1	71%	0.708	28%	0.283	S	S	*	.	H	α-helix	trans	-64.3	-43.9	-179.1	-58.6	173.6	0	0	0	110.5	D77 C81 A83	D77-I79 VanDerWaalsContact C-N 3.32Å; D77-I79 PolarHBondContact O-N 2.78Å; D77-I79 PolarHBondContact OD1-N 2.95Å; I79-C81 VanDerWaalsContact C-N 3.35Å; I79-A83 VanDerWaalsContact O-CB 3.27Å; I79-A83 WeakPolarHBondContact O-CB 3.33Å; I79-A83 PolarHBondContact O-N 2.97Å
80	A	91.1	Very high	91.3	Very high	12 Å²	12	49.7 Å²	49.7	10%	0.099	29%	0.287	C	S	.	.	H	α-helix	trans	-67	-37.6	176.2	0	0	0	0	0	111.5	F75 V76 D77 E78 G84	F75-A80 HydrophobicContact CB-CB 4.36Å; F75-A80 HydrophobicContact CD1-CB 4.1Å; F75-A80 WeakPolarHBondContact CD1-O 3.35Å; V76-A80 HydrophobicContact CG1-CB 3.9Å; D77-A80 PolarHBondContact O-N 3.03Å; D77-A80 VanDerWaalsContact OD1-CB 3.27Å; D77-A80 WeakPolarHBondContact OD1-CB 3.41Å; D77-A80 PolarHBondContact OD1-N 3.18Å; E78-A80 PolarHBondContact O-N 3.05Å; A80-G84 PolarHBondContact O-N 2.96Å
81	C	93.6	Very high	90.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-54.5	175.1	-172	0	0	0	0	111.3	M58 I59 F75 D77 E78 I79 A83 G84 Y85	M58-C81 VanDerWaalsContact O-CB 3.26Å; M58-C81 WeakPolarHBondContact O-CB 3.27Å; M58-C81 PolarHBondContact O-SG 3.11Å; I59-C81 VanDerWaalsContact C-SG 3.52Å; F75-C81 HydrophobicContact CB-CB 3.82Å; F75-C81 HydrophobicContact CD2-CB 4.24Å; F75-C81 HydrophobicContact CG-CB 4.01Å; D77-C81 PolarHBondContact O-N 2.85Å; E78-C81 WeakPolarHBondContact O-CB 3.4Å; E78-C81 PolarHBondContact O-N 3.06Å; I79-C81 VanDerWaalsContact C-N 3.35Å; C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 2.71Å; C81-G84 CarbonylContact O-C 3.49Å; C81-G84 WeakPolarHBondContact O-CA 3.21Å; C81-G84 PolarHBondContact O-N 2.91Å; C81-G84 VanDerWaalsContact O-N 3.08Å; C81-Y85 WeakPolarHBondContact O-CB 3.44Å; C81-Y85 PolarHBondContact O-N 3.16Å
82	D	93	Very high	90.2	Very high	85 Å²	85	50.7 Å²	50.7	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-43.7	-180	-78.9	-11.3	0	0	0	111.8	E78 G84 Y85 A86	E78-D82 WeakPolarHBondContact O-CB 3.34Å; E78-D82 PolarHBondContact O-N 3.49Å; D82-G84 PolarHBondContact O-N 2.81Å; D82-Y85 PolarHBondContact O-N 2.7Å; D82-A86 WeakPolarHBondContact O-CB 3.29Å; D82-A86 PolarHBondContact O-N 2.97Å
83	A	90.3	Very high	89.6	Confident	30 Å²	30	52.5 Å²	52.5	25%	0.248	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-39.7	175.5	0	0	0	0	0	112.1	I79 C81 H87	I79-A83 VanDerWaalsContact O-CB 3.27Å; I79-A83 WeakPolarHBondContact O-CB 3.33Å; I79-A83 PolarHBondContact O-N 2.97Å; C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 2.71Å; A83-H87 PolarHBondContact O-N 2.85Å; A83-H87 PolarHBondContact O-ND1 2.86Å
84	G	89.9	Confident	89.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.1	-45.2	175.1	0	0	0	0	0	111.8	A80 C81 D82 H87 I88	A80-G84 PolarHBondContact O-N 2.96Å; C81-G84 CarbonylContact O-C 3.49Å; C81-G84 WeakPolarHBondContact O-CA 3.21Å; C81-G84 PolarHBondContact O-N 2.91Å; C81-G84 VanDerWaalsContact O-N 3.08Å; D82-G84 PolarHBondContact O-N 2.81Å; G84-H87 PolarHBondContact O-N 3.1Å; G84-I88 WeakPolarHBondContact O-CG1 3.31Å; G84-I88 PolarHBondContact O-N 3.42Å
85	Y	93	Very high	88.3	Confident	76 Å²	76	58.2 Å²	58.2	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-46.5	179.8	-175.6	-114.6	0	0	0	111.9	A53 A55 I61 C81 D82 H87 I88 T89	A53-Y85 HydrophobicContact CB-CD2 4.35Å; A53-Y85 HydrophobicContact CB-CE2 3.96Å; A55-Y85 HydrophobicContact CB-CD1 4.03Å; A55-Y85 HydrophobicContact CB-CD2 3.77Å; A55-Y85 HydrophobicContact CB-CE1 4.27Å; A55-Y85 HydrophobicContact CB-CE2 4.03Å; A55-Y85 HydrophobicContact CB-CG 3.77Å; I61-Y85 HydrophobicContact CD1-CD2 4.42Å; I61-Y85 HydrophobicContact CG2-CD2 4.35Å; C81-Y85 WeakPolarHBondContact O-CB 3.44Å; C81-Y85 PolarHBondContact O-N 3.16Å; D82-Y85 PolarHBondContact O-N 2.7Å; Y85-H87 VanDerWaalsContact C-N 3.3Å; Y85-H87 PolarHBondContact O-N 2.87Å; Y85-I88 PolarHBondContact O-N 2.63Å; Y85-T89 WeakPolarHBondContact O-CB 3.46Å; Y85-T89 PolarHBondContact O-N 3.11Å; Y85-T89 PolarHBondContact O-OG1 3.43Å
86	A	91.7	Very high	87.4	Confident	59 Å²	59	63.1 Å²	63.1	49%	0.488	35%	0.35	S	S	.	.	H	α-helix	trans	-57.1	-42.2	177	0	0	0	0	0	112.2	D82 S90	D82-A86 WeakPolarHBondContact O-CB 3.29Å; D82-A86 PolarHBondContact O-N 2.97Å; A86-S90 VanDerWaalsContact O-CB 3.27Å; A86-S90 WeakPolarHBondContact O-CB 3.48Å; A86-S90 PolarHBondContact O-N 3.48Å
87	H	86.4	Confident	86.9	Confident	60 Å²	60	63.3 Å²	63.3	28%	0.278	35%	0.348	S	S	.	.	H	α-helix	trans	-66.9	-44.7	176.5	-72.6	117.1	0	0	0	112.7	N16 L27 A83 G84 Y85 T89 S90 L91	N16-H87 PolarHBondContact ND2-CE1 3.26Å; N16-H87 PolarHBondContact ND2-NE2 3.32Å; L27-H87 HydrophobicContact CD2-CB 3.97Å; A83-H87 PolarHBondContact O-N 2.85Å; A83-H87 PolarHBondContact O-ND1 2.86Å; G84-H87 PolarHBondContact O-N 3.1Å; Y85-H87 VanDerWaalsContact C-N 3.3Å; Y85-H87 PolarHBondContact O-N 2.87Å; H87-T89 VanDerWaalsContact C-N 3.34Å; H87-T89 PolarHBondContact O-N 3.23Å; H87-S90 PolarHBondContact O-N 2.78Å; H87-L91 VanDerWaalsContact O-CG 3.31Å; H87-L91 WeakPolarHBondContact O-CG 3.34Å; H87-L91 PolarHBondContact O-N 2.9Å; H87-L91 VanDerWaalsContact O-N 3.14Å
88	I	89.6	Confident	86.3	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-46	179.3	-67.5	164	0	0	0	110	F25 L32 A53 I61 I63 G84 Y85 L91 I92	F25-I88 HydrophobicContact CE2-CD1 4.37Å; F25-I88 HydrophobicContact CZ-CD1 4Å; F25-I88 HydrophobicContact CZ-CG1 3.99Å; L32-I88 HydrophobicContact CD1-CG1 4.3Å; L32-I88 HydrophobicContact CD2-CG1 4.17Å; A53-I88 HydrophobicContact CB-CG2 3.64Å; I61-I88 HydrophobicContact CD1-CD1 4.22Å; I61-I88 HydrophobicContact CG2-CD1 4.28Å; I63-I88 HydrophobicContact CD1-CD1 4.19Å; G84-I88 WeakPolarHBondContact O-CG1 3.31Å; G84-I88 PolarHBondContact O-N 3.42Å; Y85-I88 PolarHBondContact O-N 2.63Å; I88-L91 WeakPolarHBondContact O-CB 3.44Å; I88-L91 PolarHBondContact O-N 2.8Å; I88-I92 HydrophobicContact CG2-CD1 3.98Å; I88-I92 WeakPolarHBondContact O-CG1 3.32Å; I88-I92 PolarHBondContact O-N 3.43Å; I88-I92 VanDerWaalsContact O-N 3.1Å
89	T	89.6	Confident	85.6	Confident	35 Å²	35	67.4 Å²	67.4	22%	0.215	37%	0.372	C	S	.	.	H	α-helix	trans	-64.3	-43.7	179.3	-56.3	0	0	0	0	111.3	Y85 H87 L91 I92 D93	Y85-T89 WeakPolarHBondContact O-CB 3.46Å; Y85-T89 PolarHBondContact O-N 3.11Å; Y85-T89 PolarHBondContact O-OG1 3.43Å; H87-T89 VanDerWaalsContact C-N 3.34Å; H87-T89 PolarHBondContact O-N 3.23Å; T89-L91 PolarHBondContact O-N 3.5Å; T89-I92 PolarHBondContact O-N 2.84Å; T89-D93 WeakPolarHBondContact CG2-OD2 3.46Å; T89-D93 WeakPolarHBondContact O-CB 3.31Å; T89-D93 VanDerWaalsContact O-CG 3.3Å; T89-D93 PolarHBondContact O-N 2.87Å
90	S	86.3	Confident	85.1	Confident	68 Å²	68	64.3 Å²	64.3	48%	0.476	36%	0.362	S	S	.	.	H	α-helix	trans	-54.8	-38.4	173.7	173.8	0	0	0	0	112.7	A86 H87 T94	A86-S90 VanDerWaalsContact O-CB 3.27Å; A86-S90 WeakPolarHBondContact O-CB 3.48Å; A86-S90 PolarHBondContact O-N 3.48Å; H87-S90 PolarHBondContact O-N 2.78Å; S90-T94 WeakPolarHBondContact O-CB 3.49Å; S90-T94 PolarHBondContact O-N 3.32Å; S90-T94 PolarHBondContact O-OG1 3.36Å
91	L	79.6	Confident	84.9	Confident	49 Å²	49	66.6 Å²	66.6	26%	0.257	37%	0.373	S	S	.	.	H	α-helix	trans	-73.1	-33.7	177.1	-67.1	163.1	0	0	0	114	L27 L32 T47 H87 I88 T89 D93	L27-L91 HydrophobicContact CD1-CD1 3.19Å; L27-L91 HydrophobicContact CD1-CG 4.49Å; L27-L91 HydrophobicContact CD2-CD1 3.59Å; L27-L91 HydrophobicContact CD2-CG 4.46Å; L27-L91 HydrophobicContact CG-CD1 3.98Å; L32-L91 HydrophobicContact CD2-CD1 4.5Å; T47-L91 HydrophobicContact CG2-CD1 4.2Å; H87-L91 VanDerWaalsContact O-CG 3.31Å; H87-L91 WeakPolarHBondContact O-CG 3.34Å; H87-L91 PolarHBondContact O-N 2.9Å; H87-L91 VanDerWaalsContact O-N 3.14Å; I88-L91 WeakPolarHBondContact O-CB 3.44Å; I88-L91 PolarHBondContact O-N 2.8Å; T89-L91 PolarHBondContact O-N 3.5Å; L91-D93 VanDerWaalsContact C-N 3.31Å
92	I	83.1	Confident	84.8	Confident	50 Å²	50	67.9 Å²	67.9	26%	0.256	38%	0.378	S	S	.	.	H	α-helix	trans	-67.1	-41	175.5	-65.8	166.7	0	0	0	109.3	V50 A53 I88 T89	V50-I92 HydrophobicContact CB-CG1 4.4Å; V50-I92 HydrophobicContact CG1-CD1 3.51Å; V50-I92 HydrophobicContact CG1-CG1 3.72Å; A53-I92 HydrophobicContact CB-CD1 3.94Å; I88-I92 HydrophobicContact CG2-CD1 3.98Å; I88-I92 WeakPolarHBondContact O-CG1 3.32Å; I88-I92 PolarHBondContact O-N 3.43Å; I88-I92 VanDerWaalsContact O-N 3.1Å; T89-I92 PolarHBondContact O-N 2.84Å
93	D	81.3	Confident	84.7	Confident	110 Å²	110	66.9 Å²	66.9	59%	0.588	38%	0.382	S	S	*	.	H	α-helix	trans	-83.5	-20.8	-173.3	-65	-20.7	0	0	0	113.5	T89 L91 P95	T89-D93 WeakPolarHBondContact CG2-OD2 3.46Å; T89-D93 WeakPolarHBondContact O-CB 3.31Å; T89-D93 VanDerWaalsContact O-CG 3.3Å; T89-D93 PolarHBondContact O-N 2.87Å; L91-D93 VanDerWaalsContact C-N 3.31Å; D93-P95 VanDerWaalsContact O-CD 3.24Å; D93-P95 WeakPolarHBondContact O-CD 3.47Å
94	T	78.9	Confident	84.7	Confident	75 Å²	75	67.8 Å²	67.8	46%	0.46	39%	0.386	S	S	.	.	S	Bend	trans	-66	118.7	-180	-62.4	0	0	0	0	110.4	S90 R96	S90-T94 WeakPolarHBondContact O-CB 3.49Å; S90-T94 PolarHBondContact O-N 3.32Å; S90-T94 PolarHBondContact O-OG1 3.36Å; T94-R96 PolarHBondContact O-N 2.9Å
95	P	73.3	Confident	84.8	Confident	118 Å²	118	73.2 Å²	73.2	77%	0.766	41%	0.409	S	S	*	.			trans	-58.6	126.6	173.3	-21.4	33.1	0	0	0	109.7	D93	D93-P95 VanDerWaalsContact O-CD 3.24Å; D93-P95 WeakPolarHBondContact O-CD 3.47Å
96	R	74.6	Confident	84.9	Confident	107 Å²	107	71.8 Å²	71.8	40%	0.404	41%	0.405	S	S	.	.			trans	-89.4	112.7	179	-72.1	-174.9	-104.7	-133.5	-6	109.6	T47 T94 L101	T47-R96 PolarHBondContact O-NH1 3.38Å; T94-R96 PolarHBondContact O-N 2.9Å; R96-L101 HydrophobicContact CB-CD2 4.25Å
97	D	81.3	Confident	85	Confident	88 Å²	88	74.8 Å²	74.8	47%	0.471	40%	0.403	S	S	.	.			trans	-81.2	152.7	162.7	173.6	54.7	0	0	0	110.3	D99 S100 L101	D97-D99 VanDerWaalsContact C-N 3.27Å; D97-D99 PolarHBondContact O-N 3.05Å; D97-D99 VanDerWaalsContact OD2-CB 3.3Å; D97-D99 WeakPolarHBondContact OD2-CB 3.11Å; D97-D99 PolarHBondContact OD2-N 3.46Å; D97-S100 PolarHBondContact N-OG 3.27Å; D97-S100 VanDerWaalsContact N-OG 3.15Å; D97-S100 WeakPolarHBondContact O-CB 3.44Å; D97-S100 PolarHBondContact O-N 3.17Å; D97-S100 VanDerWaalsContact O-N 3.1Å; D97-S100 PolarHBondContact O-OG 2.95Å; D97-L101 PolarHBondContact O-N 3.3Å
98	I	79.3	Confident	85.3	Confident	122 Å²	122	75.6 Å²	75.6	63%	0.626	42%	0.416	S	S	*	.	S	Bend	trans	-59	-40.1	-178.8	-69.1	174.8	0	0	0	110.9	S100 L101	I98-S100 PolarHBondContact O-N 3.02Å; I98-L101 WeakPolarHBondContact O-CB 3.18Å; I98-L101 WeakPolarHBondContact O-CG 3.48Å; I98-L101 PolarHBondContact O-N 2.79Å; I98-L101 VanDerWaalsContact O-N 3.16Å
99	D	80	Confident	85.6	Confident	130 Å²	130	76.7 Å²	76.7	70%	0.695	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.3	-178.5	-61.3	-37	0	0	0	112	D97 L101	D97-D99 VanDerWaalsContact C-N 3.27Å; D97-D99 PolarHBondContact O-N 3.05Å; D97-D99 VanDerWaalsContact OD2-CB 3.3Å; D97-D99 WeakPolarHBondContact OD2-CB 3.11Å; D97-D99 PolarHBondContact OD2-N 3.46Å; D99-L101 VanDerWaalsContact C-N 3.32Å
100	S	80.7	Confident	85.9	Confident	73 Å²	73	75.2 Å²	75.2	51%	0.51	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.1	175.3	77.5	0	0	0	0	114	D97 I98	D97-S100 PolarHBondContact N-OG 3.27Å; D97-S100 VanDerWaalsContact N-OG 3.15Å; D97-S100 WeakPolarHBondContact O-CB 3.44Å; D97-S100 PolarHBondContact O-N 3.17Å; D97-S100 VanDerWaalsContact O-N 3.1Å; D97-S100 PolarHBondContact O-OG 2.95Å; I98-S100 PolarHBondContact O-N 3.02Å
101	L	86.5	Confident	86.3	Confident	61 Å²	61	75.9 Å²	75.9	32%	0.319	41%	0.41	S	S	.	.	S	Bend	trans	-66.8	137.7	-178.4	-65.6	176.6	0	0	0	110.9	R96 D97 I98 D99 A103 C104	R96-L101 HydrophobicContact CB-CD2 4.25Å; D97-L101 PolarHBondContact O-N 3.3Å; I98-L101 WeakPolarHBondContact O-CB 3.18Å; I98-L101 WeakPolarHBondContact O-CG 3.48Å; I98-L101 PolarHBondContact O-N 2.79Å; I98-L101 VanDerWaalsContact O-N 3.16Å; D99-L101 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 2.84Å; L101-C104 PolarHBondContact O-N 3.37Å
102	F	91.4	Very high	87	Confident	27 Å²	27	77.3 Å²	77.3	12%	0.118	43%	0.429	C	S	.	.	H	α-helix	trans	-53.6	-28.2	175.4	178.6	-107.6	0	0	0	112.8	L9 E12 Y30 C104 K105 F106	L9-F102 HydrophobicContact CB-CE1 4.41Å; L9-F102 HydrophobicContact CB-CZ 3.99Å; L9-F102 HydrophobicContact CD1-CE1 3.9Å; L9-F102 HydrophobicContact CD1-CZ 4.27Å; E12-F102 HydrophobicContact CB-CE2 3.89Å; E12-F102 HydrophobicContact CB-CZ 3.87Å; Y30-F102 HydrophobicContact CD1-CD1 4.18Å; Y30-F102 AromaticContact CD1-CE1 3.92Å; Y30-F102 HydrophobicContact CD1-CE1 3.92Å; Y30-F102 HydrophobicContact CD1-CZ 4.42Å; Y30-F102 HydrophobicContact CD2-CB 3.95Å; Y30-F102 AromaticContact CD2-CD1 3.18Å; Y30-F102 HydrophobicContact CD2-CD1 3.18Å; Y30-F102 AromaticContact CD2-CE1 3.79Å; Y30-F102 HydrophobicContact CD2-CE1 3.79Å; Y30-F102 AromaticContact CD2-CG 3.63Å; Y30-F102 HydrophobicContact CD2-CG 3.63Å; Y30-F102 HydrophobicContact CE1-CE1 4.45Å; Y30-F102 AromaticContact CE2-CD1 3.8Å; Y30-F102 HydrophobicContact CE2-CD1 3.8Å; Y30-F102 HydrophobicContact CE2-CE1 4.3Å; Y30-F102 AromaticContact CG-CD1 3.42Å; Y30-F102 HydrophobicContact CG-CD1 3.42Å; Y30-F102 VanDerWaalsContact CG-CD1 3.42Å; Y30-F102 HydrophobicContact CG-CD2 4.31Å; Y30-F102 AromaticContact CG-CE1 3.59Å; Y30-F102 HydrophobicContact CG-CE1 3.59Å; Y30-F102 HydrophobicContact CG-CE2 4.46Å; Y30-F102 AromaticContact CG-CG 3.81Å; Y30-F102 HydrophobicContact CG-CG 3.81Å; Y30-F102 HydrophobicContact CG-CZ 4.13Å; F102-C104 PolarHBondContact O-N 2.83Å; F102-K105 PolarHBondContact O-N 3.3Å; F102-F106 HydrophobicContact CD1-CB 4.16Å; F102-F106 HydrophobicContact CE1-CB 3.77Å; F102-F106 AromaticContact CE1-CD2 4Å; F102-F106 HydrophobicContact CE1-CD2 4Å; F102-F106 HydrophobicContact CE1-CG 4.18Å; F102-F106 HydrophobicContact CZ-CB 3.96Å; F102-F106 HydrophobicContact CZ-CD2 4.11Å; F102-F106 HydrophobicContact CZ-CG 4.49Å; F102-F106 VanDerWaalsContact O-CB 3.23Å; F102-F106 WeakPolarHBondContact O-CB 3.43Å; F102-F106 PolarHBondContact O-N 3.14Å
103	A	91.7	Very high	87.6	Confident	65 Å²	65	80.3 Å²	80.3	54%	0.537	45%	0.446	S	S	.	.	H	α-helix	trans	-54.4	-38.6	175.5	0	0	0	0	0	113.2	L101 R107	L101-A103 PolarHBondContact O-N 2.84Å; A103-R107 WeakPolarHBondContact O-CB 3.35Å; A103-R107 PolarHBondContact O-N 3.32Å
104	C	91	Very high	88.1	Confident	49 Å²	49	79 Å²	79	33%	0.331	44%	0.438	S	S	.	.	H	α-helix	trans	-68.3	-49.9	178.1	-63.1	0	0	0	0	110.9	L101 F102 F106 R107 S108	L101-C104 PolarHBondContact O-N 3.37Å; F102-C104 PolarHBondContact O-N 2.83Å; C104-F106 VanDerWaalsContact C-N 3.34Å; C104-F106 PolarHBondContact O-N 3.06Å; C104-R107 PolarHBondContact O-N 2.93Å; C104-S108 PolarHBondContact O-N 3.45Å; C104-S108 PolarHBondContact O-OG 3.49Å
105	K	92.2	Very high	88.5	Confident	114 Å²	114	79.5 Å²	79.5	50%	0.496	44%	0.443	S	S	.	.	H	α-helix	trans	-60.7	-42.6	176.2	-72.5	-168.6	174.1	-170	0	112.5	F102 S109	F102-K105 PolarHBondContact O-N 3.3Å; K105-S109 VanDerWaalsContact O-CB 3.26Å; K105-S109 WeakPolarHBondContact O-CB 3.31Å; K105-S109 PolarHBondContact O-N 3.07Å
106	F	94.6	Very high	89.3	Confident	46 Å²	46	81.3 Å²	81.3	20%	0.202	45%	0.446	C	S	.	.	H	α-helix	trans	-59.5	-49.4	176.8	175.5	-99.5	0	0	0	110.9	L9 P10 F102 C104 S109 L110 F119	L9-F106 HydrophobicContact CB-CD2 4.17Å; L9-F106 HydrophobicContact CB-CE2 4.2Å; P10-F106 HydrophobicContact CB-CD2 4.4Å; P10-F106 HydrophobicContact CB-CE2 4.47Å; P10-F106 HydrophobicContact CG-CE2 4.35Å; P10-F106 WeakPolarHBondContact O-CA 3.11Å; P10-F106 WeakPolarHBondContact O-CD2 3.29Å; F102-F106 HydrophobicContact CD1-CB 4.16Å; F102-F106 HydrophobicContact CE1-CB 3.77Å; F102-F106 AromaticContact CE1-CD2 4Å; F102-F106 HydrophobicContact CE1-CD2 4Å; F102-F106 HydrophobicContact CE1-CG 4.18Å; F102-F106 HydrophobicContact CZ-CB 3.96Å; F102-F106 HydrophobicContact CZ-CD2 4.11Å; F102-F106 HydrophobicContact CZ-CG 4.49Å; F102-F106 VanDerWaalsContact O-CB 3.23Å; F102-F106 WeakPolarHBondContact O-CB 3.43Å; F102-F106 PolarHBondContact O-N 3.14Å; C104-F106 VanDerWaalsContact C-N 3.34Å; C104-F106 PolarHBondContact O-N 3.06Å; F106-S109 PolarHBondContact O-N 3.37Å; F106-L110 HydrophobicContact CE1-CD2 3.91Å; F106-L110 HydrophobicContact CZ-CD2 4.06Å; F106-L110 WeakPolarHBondContact O-CB 3.31Å; F106-L110 PolarHBondContact O-N 3.09Å; F106-F119 HydrophobicContact CE1-CD2 4.25Å; F106-F119 HydrophobicContact CZ-CD2 4.17Å
107	R	93.3	Very high	90.1	Very high	121 Å²	121	78.6 Å²	78.6	46%	0.457	44%	0.438	S	S	.	.	H	α-helix	trans	-59.2	-54.1	178.5	-177.6	177.7	179.6	106.9	15.1	111.5	A103 C104 S109 L110 E111 L120	A103-R107 WeakPolarHBondContact O-CB 3.35Å; A103-R107 PolarHBondContact O-N 3.32Å; C104-R107 PolarHBondContact O-N 2.93Å; R107-S109 VanDerWaalsContact C-N 3.31Å; R107-S109 PolarHBondContact O-N 3.47Å; R107-L110 PolarHBondContact O-N 3.34Å; R107-L110 VanDerWaalsContact O-N 3.15Å; R107-E111 HydrophobicContact CG-CG 4.44Å; R107-E111 IonicContact CZ-OE1 3.8Å; R107-E111 VanDerWaalsContact CZ-OE1 3.27Å; R107-E111 IonicContact NE-OE1 3.53Å; R107-E111 PolarHBondContact NE-OE1 2.79Å; R107-E111 IonicContact NH2-OE1 2.96Å; R107-E111 PolarHBondContact NH2-OE1 3.39Å; R107-E111 WeakPolarHBondContact O-CG 3.31Å; R107-E111 PolarHBondContact O-N 3.24Å; R107-L120 HydrophobicContact CG-CD2 4.32Å
108	S	93.5	Very high	90.5	Very high	77 Å²	77	78.1 Å²	78.1	54%	0.538	44%	0.439	S	S	.	.	H	α-helix	trans	-61.4	-38.9	-178.1	-58.3	0	0	0	0	112.5	C104 A112	C104-S108 PolarHBondContact O-N 3.45Å; C104-S108 PolarHBondContact O-OG 3.49Å; S108-A112 WeakPolarHBondContact O-CB 3.45Å; S108-A112 PolarHBondContact O-N 3.08Å; S108-A112 VanDerWaalsContact O-N 3.12Å
109	S	95.4	Very high	91	Very high	26 Å²	26	79.2 Å²	79.2	18%	0.182	44%	0.44	C	S	.	.	H	α-helix	trans	-70	-37.6	176.3	-171.8	0	0	0	0	112.3	G11 K105 F106 R107 A112 N113	G11-S109 VanDerWaalsContact N-CB 3.26Å; G11-S109 PolarHBondContact N-OG 3.18Å; K105-S109 VanDerWaalsContact O-CB 3.26Å; K105-S109 WeakPolarHBondContact O-CB 3.31Å; K105-S109 PolarHBondContact O-N 3.07Å; F106-S109 PolarHBondContact O-N 3.37Å; R107-S109 VanDerWaalsContact C-N 3.31Å; R107-S109 PolarHBondContact O-N 3.47Å; S109-A112 PolarHBondContact O-N 3.29Å; S109-N113 WeakPolarHBondContact O-CB 3.47Å; S109-N113 PolarHBondContact O-N 2.89Å; S109-N113 PolarHBondContact O-ND2 3.46Å; S109-N113 PolarHBondContact OG-ND2 3.26Å
110	L	95.1	Very high	91.5	Very high	4 Å²	4	74.1 Å²	74.1	2%	0.021	41%	0.412	C	S	.	.	H	α-helix	trans	-66.2	-43.1	176.7	-172.7	69.3	0	0	0	111.3	P10 F106 R107 A112 N113 I114 H117 F119 L120	P10-L110 HydrophobicContact CB-CB 4.32Å; P10-L110 HydrophobicContact CB-CD1 4.48Å; P10-L110 HydrophobicContact CG-CD1 3.96Å; F106-L110 HydrophobicContact CE1-CD2 3.91Å; F106-L110 HydrophobicContact CZ-CD2 4.06Å; F106-L110 WeakPolarHBondContact O-CB 3.31Å; F106-L110 PolarHBondContact O-N 3.09Å; R107-L110 PolarHBondContact O-N 3.34Å; R107-L110 VanDerWaalsContact O-N 3.15Å; L110-A112 VanDerWaalsContact C-N 3.32Å; L110-A112 PolarHBondContact O-N 2.85Å; L110-N113 PolarHBondContact O-N 2.91Å; L110-I114 HydrophobicContact CD1-CB 4.25Å; L110-I114 HydrophobicContact CD1-CD1 4.2Å; L110-I114 HydrophobicContact CD1-CG1 4.49Å; L110-I114 CarbonylContact O-C 3.45Å; L110-I114 VanDerWaalsContact O-C 3.26Å; L110-I114 WeakPolarHBondContact O-CA 3.47Å; L110-I114 PolarHBondContact O-N 3.08Å; L110-H117 HydrophobicContact CD1-CB 4Å; L110-H117 HydrophobicContact CD2-CB 4.08Å; L110-H117 HydrophobicContact CG-CB 4Å; L110-F119 HydrophobicContact CD2-CB 3.93Å; L110-L120 HydrophobicContact CB-CD2 4.24Å; L110-L120 HydrophobicContact CD2-CD2 3.79Å; L110-L120 HydrophobicContact CD2-CG 3.98Å; L110-L120 HydrophobicContact CG-CD1 4.27Å; L110-L120 HydrophobicContact CG-CD2 4.07Å; L110-L120 HydrophobicContact CG-CG 4.18Å
111	E	94.9	Very high	91.9	Very high	81 Å²	81	74 Å²	74	38%	0.379	41%	0.406	S	S	.	.	H	α-helix	trans	-59	-42.3	174.2	-71.7	174.7	173.4	0	0	111.7	R107 L120	R107-E111 HydrophobicContact CG-CG 4.44Å; R107-E111 IonicContact CZ-OE1 3.8Å; R107-E111 VanDerWaalsContact CZ-OE1 3.27Å; R107-E111 IonicContact NE-OE1 3.53Å; R107-E111 PolarHBondContact NE-OE1 2.79Å; R107-E111 IonicContact NH2-OE1 2.96Å; R107-E111 PolarHBondContact NH2-OE1 3.39Å; R107-E111 WeakPolarHBondContact O-CG 3.31Å; R107-E111 PolarHBondContact O-N 3.24Å; E111-L120 HydrophobicContact CB-CD1 4.31Å; E111-L120 HydrophobicContact CB-CD2 4.49Å; E111-L120 HydrophobicContact CG-CD1 3.78Å; E111-L120 HydrophobicContact CG-CD2 3.36Å; E111-L120 HydrophobicContact CG-CG 4.12Å
112	A	95.8	Very high	91.9	Very high	79 Å²	79	73.6 Å²	73.6	65%	0.653	41%	0.408	S	S	*	.	H	α-helix	trans	-70	-36.8	-179.5	0	0	0	0	0	113.7	S108 S109 L110	S108-A112 WeakPolarHBondContact O-CB 3.45Å; S108-A112 PolarHBondContact O-N 3.08Å; S108-A112 VanDerWaalsContact O-N 3.12Å; S109-A112 PolarHBondContact O-N 3.29Å; L110-A112 VanDerWaalsContact C-N 3.32Å; L110-A112 PolarHBondContact O-N 2.85Å
113	N	94.1	Very high	91.6	Very high	113 Å²	113	74.1 Å²	74.1	60%	0.604	42%	0.417	S	S	*	.	H	α-helix	trans	-99.6	-30.8	-171.9	-67	-67.2	0	0	0	113.7	S109 L110	S109-N113 WeakPolarHBondContact O-CB 3.47Å; S109-N113 PolarHBondContact O-N 2.89Å; S109-N113 PolarHBondContact O-ND2 3.46Å; S109-N113 PolarHBondContact OG-ND2 3.26Å; L110-N113 PolarHBondContact O-N 2.91Å
114	I	92.1	Very high	91.4	Very high	82 Å²	82	72.2 Å²	72.2	42%	0.421	40%	0.399	S	S	.	.			trans	-141.8	69.1	-174.6	-43	178.4	0	0	0	109.2	L110 N116 H117 L120	L110-I114 HydrophobicContact CD1-CB 4.25Å; L110-I114 HydrophobicContact CD1-CD1 4.2Å; L110-I114 HydrophobicContact CD1-CG1 4.49Å; L110-I114 CarbonylContact O-C 3.45Å; L110-I114 VanDerWaalsContact O-C 3.26Å; L110-I114 WeakPolarHBondContact O-CA 3.47Å; L110-I114 PolarHBondContact O-N 3.08Å; I114-N116 PolarHBondContact O-N 3.29Å; I114-H117 HydrophobicContact CB-CB 4.22Å; I114-H117 HydrophobicContact CG2-CB 3.93Å; I114-H117 VanDerWaalsContact O-CB 3.24Å; I114-H117 WeakPolarHBondContact O-CB 3.35Å; I114-H117 PolarHBondContact O-N 3.45Å; I114-L120 WeakPolarHBondContact O-CD1 3.39Å
115	P	88.4	Confident	91.3	Very high	87 Å²	87	75.2 Å²	75.2	57%	0.565	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.6	-169.5	21.8	-33.9	0	0	0	114.7	L120	P115-L120 WeakPolarHBondContact O-CD1 3.42Å
116	N	89.1	Confident	91	Very high	156 Å²	156	74.8 Å²	74.8	83%	0.834	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	17.6	178.6	-62.3	-37	0	0	0	113.3	I114	I114-N116 PolarHBondContact O-N 3.29Å
117	H	91.9	Very high	90.7	Very high	50 Å²	50	76.3 Å²	76.3	23%	0.231	42%	0.421	C	S	.	.			trans	-68.6	135.5	-178	-167.7	-84.7	0	0	0	111.3	L110 I114 F119 L120	L110-H117 HydrophobicContact CD1-CB 4Å; L110-H117 HydrophobicContact CD2-CB 4.08Å; L110-H117 HydrophobicContact CG-CB 4Å; I114-H117 HydrophobicContact CB-CB 4.22Å; I114-H117 HydrophobicContact CG2-CB 3.93Å; I114-H117 VanDerWaalsContact O-CB 3.24Å; I114-H117 WeakPolarHBondContact O-CB 3.35Å; I114-H117 PolarHBondContact O-N 3.45Å; H117-F119 AromaticContact CE1-CD2 3.35Å; H117-F119 WeakPolarHBondContact CE1-CD2 3.2Å; H117-F119 AromaticContact CE1-CE2 3.85Å; H117-F119 AromaticContact CE1-CG 3.47Å; H117-F119 VanDerWaalsContact CE1-CG 3.47Å; H117-F119 WeakPolarHBondContact CE1-CG 3.41Å; H117-F119 WeakPolarHBondContact ND1-CB 3.5Å; H117-F119 AromaticContact ND1-CD2 3.79Å; H117-F119 AromaticContact ND1-CG 3.57Å; H117-F119 PolarHBondContact ND1-N 3.3Å; H117-F119 VanDerWaalsContact ND1-N 3.14Å; H117-F119 PolarHBondContact O-N 3.16Å; H117-L120 HydrophobicContact CB-CD1 4.19Å; H117-L120 HydrophobicContact CB-CG 4.25Å; H117-L120 WeakPolarHBondContact O-CB 3.45Å; H117-L120 PolarHBondContact O-N 2.86Å
118	P	90.3	Very high	90.5	Very high	77 Å²	77	78.3 Å²	78.3	50%	0.5	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-56.5	-26.2	-178.3	-28.9	35.6	0	0	0	115.6	L120 L121	P118-L120 PolarHBondContact O-N 3.38Å; P118-L121 WeakPolarHBondContact O-CB 3.37Å; P118-L121 WeakPolarHBondContact O-CG 3.24Å; P118-L121 PolarHBondContact O-N 3.02Å
119	F	89.8	Confident	90.3	Very high	145 Å²	145	75.4 Å²	75.4	64%	0.636	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-72	-10.3	175.1	-64	-15.6	0	0	0	114.5	F106 L110 H117	F106-F119 HydrophobicContact CE1-CD2 4.25Å; F106-F119 HydrophobicContact CZ-CD2 4.17Å; L110-F119 HydrophobicContact CD2-CB 3.93Å; H117-F119 AromaticContact CE1-CD2 3.35Å; H117-F119 WeakPolarHBondContact CE1-CD2 3.2Å; H117-F119 AromaticContact CE1-CE2 3.85Å; H117-F119 AromaticContact CE1-CG 3.47Å; H117-F119 VanDerWaalsContact CE1-CG 3.47Å; H117-F119 WeakPolarHBondContact CE1-CG 3.41Å; H117-F119 WeakPolarHBondContact ND1-CB 3.5Å; H117-F119 AromaticContact ND1-CD2 3.79Å; H117-F119 AromaticContact ND1-CG 3.57Å; H117-F119 PolarHBondContact ND1-N 3.3Å; H117-F119 VanDerWaalsContact ND1-N 3.14Å; H117-F119 PolarHBondContact O-N 3.16Å
120	L	90.7	Very high	89.8	Confident	23 Å²	23	82 Å²	82	12%	0.12	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-88.2	-16.4	174.7	-59.4	177.8	0	0	0	112.3	R107 L110 E111 I114 P115 H117 P118 S122	R107-L120 HydrophobicContact CG-CD2 4.32Å; L110-L120 HydrophobicContact CB-CD2 4.24Å; L110-L120 HydrophobicContact CD2-CD2 3.79Å; L110-L120 HydrophobicContact CD2-CG 3.98Å; L110-L120 HydrophobicContact CG-CD1 4.27Å; L110-L120 HydrophobicContact CG-CD2 4.07Å; L110-L120 HydrophobicContact CG-CG 4.18Å; E111-L120 HydrophobicContact CB-CD1 4.31Å; E111-L120 HydrophobicContact CB-CD2 4.49Å; E111-L120 HydrophobicContact CG-CD1 3.78Å; E111-L120 HydrophobicContact CG-CD2 3.36Å; E111-L120 HydrophobicContact CG-CG 4.12Å; I114-L120 WeakPolarHBondContact O-CD1 3.39Å; P115-L120 WeakPolarHBondContact O-CD1 3.42Å; H117-L120 HydrophobicContact CB-CD1 4.19Å; H117-L120 HydrophobicContact CB-CG 4.25Å; H117-L120 WeakPolarHBondContact O-CB 3.45Å; H117-L120 PolarHBondContact O-N 2.86Å; P118-L120 PolarHBondContact O-N 3.38Å; L120-S122 PolarHBondContact O-N 3.09Å
121	L	88.8	Confident	89	Confident	72 Å²	72	82.7 Å²	82.7	38%	0.377	45%	0.451	S	S	.	.	S	Bend	trans	-61.6	132.3	177.1	-61.3	177.1	0	0	0	110.3	P118 E125 L126	P118-L121 WeakPolarHBondContact O-CB 3.37Å; P118-L121 WeakPolarHBondContact O-CG 3.24Å; P118-L121 PolarHBondContact O-N 3.02Å; L121-E125 HydrophobicContact CB-CB 4.18Å; L121-E125 HydrophobicContact CD2-CB 4.19Å; L121-L126 HydrophobicContact CB-CD1 4.37Å; L121-L126 HydrophobicContact CB-CD2 4.06Å; L121-L126 HydrophobicContact CB-CG 3.78Å; L121-L126 HydrophobicContact CD1-CD2 3.77Å; L121-L126 HydrophobicContact CD1-CG 4.33Å
122	S	85.8	Confident	88.1	Confident	52 Å²	52	85.6 Å²	85.6	36%	0.364	47%	0.474	S	S	.	.			trans	-63.2	159.5	169.1	67.2	0	0	0	0	110.9	L120 C124 E125 L126	L120-S122 PolarHBondContact O-N 3.09Å; S122-C124 PolarHBondContact O-N 3.1Å; S122-E125 VanDerWaalsContact CB-OE2 3.28Å; S122-E125 WeakPolarHBondContact CB-OE2 3.46Å; S122-E125 PolarHBondContact N-OE2 2.92Å; S122-E125 PolarHBondContact O-N 3.38Å; S122-E125 VanDerWaalsContact O-N 3.14Å; S122-E125 WeakPolarHBondContact OG-CG 3.43Å; S122-E125 PolarHBondContact OG-N 3.37Å; S122-E125 PolarHBondContact OG-OE2 3.39Å; S122-L126 PolarHBondContact O-N 3.06Å
123	A	85.8	Confident	87.4	Confident	38 Å²	38	89.3 Å²	89.3	31%	0.314	48%	0.483	S	S	.	.	H	α-helix	trans	-58.5	-33	173.9	0	0	0	0	0	112.1	L127 L136 L140	A123-L127 VanDerWaalsContact O-CB 3.31Å; A123-L127 WeakPolarHBondContact O-CB 3.49Å; A123-L127 VanDerWaalsContact O-CG 3.31Å; A123-L127 WeakPolarHBondContact O-CG 3.37Å; A123-L127 PolarHBondContact O-N 3.2Å; A123-L136 HydrophobicContact CB-CD1 4.19Å; A123-L140 HydrophobicContact CB-CD2 4.48Å
124	C	87.5	Confident	86.9	Confident	24 Å²	24	89.5 Å²	89.5	16%	0.162	48%	0.475	C	S	.	.	H	α-helix	trans	-65.6	-45	174.8	-71	0	0	0	0	112	S122 L127 Q128 I129 L136	S122-C124 PolarHBondContact O-N 3.1Å; C124-L127 CarbonylContact O-C 3.55Å; C124-L127 PolarHBondContact O-N 3.29Å; C124-Q128 CarbonylContact O-C 3.38Å; C124-Q128 WeakPolarHBondContact O-CA 3.47Å; C124-Q128 PolarHBondContact O-N 2.93Å; C124-I129 HydrophobicContact CB-CB 4.16Å; C124-I129 PolarHBondContact O-N 3.1Å; C124-L136 WeakPolarHBondContact SG-CD1 3.21Å
125	E	87.9	Confident	86.8	Confident	112 Å²	112	89.7 Å²	89.7	52%	0.523	48%	0.48	S	S	.	.	H	α-helix	trans	-63.9	-44.4	177.9	-72	161.7	124.4	0	0	111.5	L121 S122 L127 Q128	L121-E125 HydrophobicContact CB-CB 4.18Å; L121-E125 HydrophobicContact CD2-CB 4.19Å; S122-E125 VanDerWaalsContact CB-OE2 3.28Å; S122-E125 WeakPolarHBondContact CB-OE2 3.46Å; S122-E125 PolarHBondContact N-OE2 2.92Å; S122-E125 PolarHBondContact O-N 3.38Å; S122-E125 VanDerWaalsContact O-N 3.14Å; S122-E125 WeakPolarHBondContact OG-CG 3.43Å; S122-E125 PolarHBondContact OG-N 3.37Å; S122-E125 PolarHBondContact OG-OE2 3.39Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 3.46Å; E125-Q128 PolarHBondContact O-N 3.49Å
126	L	86.6	Confident	86.8	Confident	106 Å²	106	89.6 Å²	89.6	56%	0.555	47%	0.474	S	S	*	.	H	α-helix	trans	-61.6	-39.5	178.1	-75.3	168.6	0	0	0	112.7	L121 S122 Q128	L121-L126 HydrophobicContact CB-CD1 4.37Å; L121-L126 HydrophobicContact CB-CD2 4.06Å; L121-L126 HydrophobicContact CB-CG 3.78Å; L121-L126 HydrophobicContact CD1-CD2 3.77Å; L121-L126 HydrophobicContact CD1-CG 4.33Å; S122-L126 PolarHBondContact O-N 3.06Å; L126-Q128 VanDerWaalsContact C-N 3.34Å
127	L	87.9	Confident	86.8	Confident	77 Å²	77	86 Å²	86	40%	0.403	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	2.9	179.8	-63.9	174.9	0	0	0	113.2	A123 C124 E125 I129 L140	A123-L127 VanDerWaalsContact O-CB 3.31Å; A123-L127 WeakPolarHBondContact O-CB 3.49Å; A123-L127 VanDerWaalsContact O-CG 3.31Å; A123-L127 WeakPolarHBondContact O-CG 3.37Å; A123-L127 PolarHBondContact O-N 3.2Å; C124-L127 CarbonylContact O-C 3.55Å; C124-L127 PolarHBondContact O-N 3.29Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 3.46Å; L127-I129 HydrophobicContact CB-CD1 3.7Å; L127-I129 HydrophobicContact CB-CG1 3.73Å; L127-I129 HydrophobicContact CD1-CD1 3.88Å; L127-I129 HydrophobicContact CG-CD1 4.46Å; L127-I129 PolarHBondContact O-N 2.9Å; L127-L140 HydrophobicContact CD1-CD2 3.62Å
128	Q	89.7	Confident	86.9	Confident	164 Å²	164	85.1 Å²	85.1	77%	0.766	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	39.5	-176.8	-55.4	175.2	10.5	0	0	112.6	C124 E125 L126 N130	C124-Q128 CarbonylContact O-C 3.38Å; C124-Q128 WeakPolarHBondContact O-CA 3.47Å; C124-Q128 PolarHBondContact O-N 2.93Å; E125-Q128 PolarHBondContact O-N 3.49Å; L126-Q128 VanDerWaalsContact C-N 3.34Å; Q128-N130 PolarHBondContact O-N 3.01Å
129	I	88.4	Confident	87	Confident	15 Å²	15	81.5 Å²	81.5	8%	0.077	43%	0.43	C	S	.	.			trans	-85.6	101.7	177.7	-59.6	171.7	0	0	0	108.5	C124 L127 D131 A139 L140 F143	C124-I129 HydrophobicContact CB-CB 4.16Å; C124-I129 PolarHBondContact O-N 3.1Å; L127-I129 HydrophobicContact CB-CD1 3.7Å; L127-I129 HydrophobicContact CB-CG1 3.73Å; L127-I129 HydrophobicContact CD1-CD1 3.88Å; L127-I129 HydrophobicContact CG-CD1 4.46Å; L127-I129 PolarHBondContact O-N 2.9Å; I129-D131 HydrophobicContact CG2-CB 3.68Å; I129-D131 PolarHBondContact O-N 3.39Å; I129-D131 VanDerWaalsContact O-N 3.07Å; I129-A139 HydrophobicContact CG2-CB 4.09Å; I129-L140 HydrophobicContact CD1-CD2 3.73Å; I129-F143 HydrophobicContact CD1-CB 3.67Å; I129-F143 HydrophobicContact CD1-CD1 4.09Å; I129-F143 HydrophobicContact CD1-CD2 4.01Å; I129-F143 HydrophobicContact CD1-CG 3.66Å; I129-F143 HydrophobicContact CG1-CB 4.05Å; I129-F143 HydrophobicContact CG1-CD2 3.61Å; I129-F143 HydrophobicContact CG1-CE2 4.16Å; I129-F143 HydrophobicContact CG1-CG 3.82Å
130	N	84.5	Confident	87.2	Confident	164 Å²	164	76.8 Å²	76.8	88%	0.877	41%	0.411	S	S	*	.			trans	-84.5	61.7	175.7	-62.7	-30.6	0	0	0	111.1	Q128	Q128-N130 PolarHBondContact O-N 3.01Å
131	D	79.9	Confident	87.3	Confident	19 Å²	19	76.9 Å²	76.9	10%	0.102	41%	0.412	C	S	.	.			trans	-128.1	76	-177.3	-162.7	-6.2	0	0	0	110.4	I129 R134 A139	I129-D131 HydrophobicContact CG2-CB 3.68Å; I129-D131 PolarHBondContact O-N 3.39Å; I129-D131 VanDerWaalsContact O-N 3.07Å; D131-R134 WeakPolarHBondContact OD1-CG 3.28Å; D131-R134 IonicContact OD1-CZ 2.84Å; D131-R134 IonicContact OD1-NH1 3.61Å; D131-R134 PolarHBondContact OD1-NH1 2.85Å; D131-R134 WeakPolarHBondContact OD2-CD 3.34Å; D131-R134 IonicContact OD2-CZ 2.75Å; D131-R134 IonicContact OD2-NE 3.65Å; D131-R134 IonicContact OD2-NH1 3.5Å; D131-R134 PolarHBondContact OD2-NH1 3.09Å; D131-A139 HydrophobicContact CB-CB 3.98Å
132	V	74.7	Confident	87.6	Confident	143 Å²	143	74.3 Å²	74.3	87%	0.867	40%	0.4	S	S	*	.			trans	-78	-19	-175.9	-92.7	0	0	0	0	113.8
133	D	81.6	Confident	88	Confident	156 Å²	156	74.4 Å²	74.4	83%	0.834	39%	0.394	S	S	*	.	S	Bend	trans	-83.6	-16.3	-175.5	-60.7	-37.9	0	0	0	113.1
134	R	83.8	Confident	88.5	Confident	117 Å²	117	75.4 Å²	75.4	44%	0.442	39%	0.392	S	S	.	.	S	Bend	trans	-107.4	152.5	-173.5	-67.7	-169.3	-173.8	89.3	11.6	111.6	D131 T138 A139	D131-R134 WeakPolarHBondContact OD1-CG 3.28Å; D131-R134 IonicContact OD1-CZ 2.84Å; D131-R134 IonicContact OD1-NH1 3.61Å; D131-R134 PolarHBondContact OD1-NH1 2.85Å; D131-R134 WeakPolarHBondContact OD2-CD 3.34Å; D131-R134 IonicContact OD2-CZ 2.75Å; D131-R134 IonicContact OD2-NE 3.65Å; D131-R134 IonicContact OD2-NH1 3.5Å; D131-R134 PolarHBondContact OD2-NH1 3.09Å; R134-T138 HydrophobicContact CB-CG2 4.39Å; R134-T138 HydrophobicContact CG-CG2 4.39Å; R134-A139 HydrophobicContact CB-CB 4.43Å
135	T	89.4	Confident	88.9	Confident	87 Å²	87	75.9 Å²	75.9	53%	0.534	39%	0.392	S	S	.	.			trans	-61.3	151.3	167.6	63.9	0	0	0	0	110.3	D137 T138 A139	T135-D137 VanDerWaalsContact C-N 3.29Å; T135-D137 PolarHBondContact O-N 3.29Å; T135-T138 WeakPolarHBondContact O-CA 3.39Å; T135-T138 WeakPolarHBondContact O-CB 3.41Å; T135-T138 PolarHBondContact O-N 2.82Å; T135-T138 PolarHBondContact OG1-OG1 2.93Å; T135-A139 PolarHBondContact O-N 2.92Å
136	L	89.3	Confident	89.2	Confident	85 Å²	85	77.6 Å²	77.6	45%	0.445	39%	0.393	S	S	.	.	H	α-helix	trans	-49.6	-48.6	-178.3	177.3	60.7	0	0	0	112.5	A123 C124 T138 A139 L140	A123-L136 HydrophobicContact CB-CD1 4.19Å; C124-L136 WeakPolarHBondContact SG-CD1 3.21Å; L136-T138 VanDerWaalsContact C-N 3.26Å; L136-T138 PolarHBondContact O-N 3.03Å; L136-A139 PolarHBondContact O-N 2.9Å; L136-L140 HydrophobicContact CD1-CD1 3.86Å; L136-L140 HydrophobicContact CD1-CG 3.96Å; L136-L140 HydrophobicContact CG-CD1 3.88Å; L136-L140 HydrophobicContact CG-CG 4.39Å; L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.19Å; L136-L140 PolarHBondContact O-N 3.23Å
137	D	88.9	Confident	89.6	Confident	80 Å²	80	77.7 Å²	77.7	43%	0.428	39%	0.386	S	S	.	.	H	α-helix	trans	-57.8	-40.4	178.9	-63	-26.2	0	0	0	112.2	T135 V141 R171	T135-D137 VanDerWaalsContact C-N 3.29Å; T135-D137 PolarHBondContact O-N 3.29Å; D137-V141 WeakPolarHBondContact O-CG1 3.35Å; D137-V141 PolarHBondContact O-N 3.41Å; D137-V141 VanDerWaalsContact O-N 3.09Å; D137-R171 IonicContact OD2-NE 2.7Å
138	T	93.4	Very high	90	Very high	32 Å²	32	74.3 Å²	74.3	20%	0.196	37%	0.369	C	S	.	.	H	α-helix	trans	-72.6	-40.7	-179.5	-45.5	0	0	0	0	111.2	R134 T135 L136 V141 C142 H172	R134-T138 HydrophobicContact CB-CG2 4.39Å; R134-T138 HydrophobicContact CG-CG2 4.39Å; T135-T138 WeakPolarHBondContact O-CA 3.39Å; T135-T138 WeakPolarHBondContact O-CB 3.41Å; T135-T138 PolarHBondContact O-N 2.82Å; T135-T138 PolarHBondContact OG1-OG1 2.93Å; L136-T138 VanDerWaalsContact C-N 3.26Å; L136-T138 PolarHBondContact O-N 3.03Å; T138-V141 VanDerWaalsContact O-CG1 3.29Å; T138-V141 WeakPolarHBondContact O-CG1 3.46Å; T138-C142 VanDerWaalsContact O-CB 3.31Å; T138-C142 WeakPolarHBondContact O-CB 3.43Å; T138-C142 PolarHBondContact O-N 3.41Å; T138-C142 PolarHBondContact O-SG 2.82Å; T138-H172 PolarHBondContact OG1-NE2 2.88Å
139	A	93.3	Very high	90.3	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.2	-45.5	176.2	0	0	0	0	0	111	I129 D131 R134 T135 L136 C142 F143	I129-A139 HydrophobicContact CG2-CB 4.09Å; D131-A139 HydrophobicContact CB-CB 3.98Å; R134-A139 HydrophobicContact CB-CB 4.43Å; T135-A139 PolarHBondContact O-N 2.92Å; L136-A139 PolarHBondContact O-N 2.9Å; A139-C142 PolarHBondContact O-N 2.99Å; A139-F143 WeakPolarHBondContact O-CB 3.15Å; A139-F143 PolarHBondContact O-N 3.07Å
140	L	92.9	Very high	90.6	Very high	47 Å²	47	71.3 Å²	71.3	25%	0.246	36%	0.357	C	S	.	.	H	α-helix	trans	-63.6	-47.2	178.6	-71.4	172.6	0	0	0	112.5	A123 L127 I129 L136 C142 F143 E144	A123-L140 HydrophobicContact CB-CD2 4.48Å; L127-L140 HydrophobicContact CD1-CD2 3.62Å; I129-L140 HydrophobicContact CD1-CD2 3.73Å; L136-L140 HydrophobicContact CD1-CD1 3.86Å; L136-L140 HydrophobicContact CD1-CG 3.96Å; L136-L140 HydrophobicContact CG-CD1 3.88Å; L136-L140 HydrophobicContact CG-CG 4.39Å; L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.19Å; L136-L140 PolarHBondContact O-N 3.23Å; L140-C142 VanDerWaalsContact C-N 3.33Å; L140-C142 PolarHBondContact O-N 3.19Å; L140-F143 WeakPolarHBondContact O-CB 3.19Å; L140-F143 PolarHBondContact O-N 2.92Å; L140-E144 WeakPolarHBondContact O-CB 3.11Å; L140-E144 PolarHBondContact O-N 2.67Å
141	V	94.3	Very high	91	Very high	24 Å²	24	66.5 Å²	66.5	15%	0.145	33%	0.331	C	S	.	.	H	α-helix	trans	-65.9	-37.1	178.1	70.3	0	0	0	0	111.5	D137 T138 E144 F145 I156 H172 I174	D137-V141 WeakPolarHBondContact O-CG1 3.35Å; D137-V141 PolarHBondContact O-N 3.41Å; D137-V141 VanDerWaalsContact O-N 3.09Å; T138-V141 VanDerWaalsContact O-CG1 3.29Å; T138-V141 WeakPolarHBondContact O-CG1 3.46Å; V141-E144 PolarHBondContact O-N 2.96Å; V141-F145 WeakPolarHBondContact O-CB 3.44Å; V141-F145 PolarHBondContact O-N 3.18Å; V141-I156 HydrophobicContact CG1-CD1 4.26Å; V141-I156 HydrophobicContact CG1-CG2 4.21Å; V141-I156 HydrophobicContact CG2-CD1 4.26Å; V141-I156 HydrophobicContact CG2-CG1 4.47Å; V141-I156 HydrophobicContact CG2-CG2 4.26Å; V141-H172 HydrophobicContact CB-CB 4.29Å; V141-H172 HydrophobicContact CG1-CB 3.8Å; V141-H172 HydrophobicContact CG2-CB 4.19Å; V141-I174 HydrophobicContact CG2-CG1 4.36Å
142	C	94.4	Very high	91.7	Very high	18 Å²	18	74.8 Å²	74.8	12%	0.122	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-42	174.8	-73.4	0	0	0	0	111.8	T138 A139 L140 F145 R146	T138-C142 VanDerWaalsContact O-CB 3.31Å; T138-C142 WeakPolarHBondContact O-CB 3.43Å; T138-C142 PolarHBondContact O-N 3.41Å; T138-C142 PolarHBondContact O-SG 2.82Å; A139-C142 PolarHBondContact O-N 2.99Å; L140-C142 VanDerWaalsContact C-N 3.33Å; L140-C142 PolarHBondContact O-N 3.19Å; C142-F145 PolarHBondContact O-N 2.87Å; C142-R146 VanDerWaalsContact O-CG 3.32Å; C142-R146 WeakPolarHBondContact O-CG 2.97Å; C142-R146 PolarHBondContact O-N 3.12Å; C142-R146 VanDerWaalsContact O-N 3.11Å
143	F	94.5	Very high	92.7	Very high	55 Å²	55	70.9 Å²	70.9	24%	0.241	34%	0.343	C	S	.	.	H	α-helix	trans	-59.5	-51.7	174.5	173.5	-96	0	0	0	110.8	I129 A139 L140 F145 R146 R147	I129-F143 HydrophobicContact CD1-CB 3.67Å; I129-F143 HydrophobicContact CD1-CD1 4.09Å; I129-F143 HydrophobicContact CD1-CD2 4.01Å; I129-F143 HydrophobicContact CD1-CG 3.66Å; I129-F143 HydrophobicContact CG1-CB 4.05Å; I129-F143 HydrophobicContact CG1-CD2 3.61Å; I129-F143 HydrophobicContact CG1-CE2 4.16Å; I129-F143 HydrophobicContact CG1-CG 3.82Å; A139-F143 WeakPolarHBondContact O-CB 3.15Å; A139-F143 PolarHBondContact O-N 3.07Å; L140-F143 WeakPolarHBondContact O-CB 3.19Å; L140-F143 PolarHBondContact O-N 2.92Å; F143-F145 PolarHBondContact O-N 2.73Å; F143-R146 PolarHBondContact O-N 2.8Å; F143-R147 WeakPolarHBondContact O-CB 3.35Å; F143-R147 PolarHBondContact O-N 3.26Å
144	E	95.1	Very high	93.4	Very high	58 Å²	58	63.5 Å²	63.5	27%	0.271	30%	0.304	S	S	.	.	H	α-helix	trans	-64	-38	179.4	-78.5	-57.3	129.9	0	0	112.7	L140 V141 R146 R147 M148	L140-E144 WeakPolarHBondContact O-CB 3.11Å; L140-E144 PolarHBondContact O-N 2.67Å; V141-E144 PolarHBondContact O-N 2.96Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 3.35Å; E144-R147 VanDerWaalsContact CD-NE 3.29Å; E144-R147 PolarHBondContact O-N 3.04Å; E144-R147 IonicContact OE1-CZ 3.68Å; E144-R147 IonicContact OE1-NE 2.78Å; E144-R147 PolarHBondContact OE1-NE 3.43Å; E144-R147 IonicContact OE2-CZ 3.75Å; E144-R147 IonicContact OE2-NE 3.42Å; E144-R147 PolarHBondContact OE2-NE 3.15Å; E144-R147 IonicContact OE2-NH2 2.77Å; E144-R147 PolarHBondContact OE2-NH2 3.04Å; E144-M148 HydrophobicContact CB-CE 3.87Å; E144-M148 WeakPolarHBondContact O-CB 3.47Å; E144-M148 WeakPolarHBondContact O-CE 3.34Å; E144-M148 WeakPolarHBondContact O-CG 3.42Å; E144-M148 PolarHBondContact O-N 2.88Å
145	F	96.3	Very high	94	Very high	34 Å²	34	59.3 Å²	59.3	15%	0.149	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-42.6	175.4	-171.6	-84.8	0	0	0	111.8	V141 C142 F143 N149 F150 W154 I156 I174	V141-F145 WeakPolarHBondContact O-CB 3.44Å; V141-F145 PolarHBondContact O-N 3.18Å; C142-F145 PolarHBondContact O-N 2.87Å; F143-F145 PolarHBondContact O-N 2.73Å; F145-N149 PolarHBondContact O-N 3.22Å; F145-F150 HydrophobicContact CD1-CB 3.94Å; F145-F150 HydrophobicContact CD2-CB 3.96Å; F145-F150 AromaticContact CD2-CD2 3.87Å; F145-F150 HydrophobicContact CD2-CD2 3.87Å; F145-F150 HydrophobicContact CD2-CG 4.02Å; F145-F150 HydrophobicContact CE1-CB 3.53Å; F145-F150 HydrophobicContact CE2-CB 3.58Å; F145-F150 HydrophobicContact CE2-CD1 4.48Å; F145-F150 HydrophobicContact CE2-CD2 4.19Å; F145-F150 AromaticContact CE2-CG 3.86Å; F145-F150 HydrophobicContact CE2-CG 3.86Å; F145-F150 HydrophobicContact CG-CB 4.13Å; F145-F150 HydrophobicContact CG-CD2 4.15Å; F145-F150 HydrophobicContact CG-CG 4.46Å; F145-F150 HydrophobicContact CZ-CB 3.33Å; F145-F150 HydrophobicContact CZ-CG 4.14Å; F145-F150 WeakPolarHBondContact O-CD2 3.49Å; F145-F150 PolarHBondContact O-N 3.03Å; F145-W154 HydrophobicContact CE2-CB 4.02Å; F145-W154 HydrophobicContact CZ-CB 3.99Å; F145-W154 WeakPolarHBondContact CZ-O 3.31Å; F145-I156 HydrophobicContact CB-CD1 3.85Å; F145-I156 HydrophobicContact CB-CG1 4.34Å; F145-I156 HydrophobicContact CD2-CD1 3.97Å; F145-I156 HydrophobicContact CD2-CG1 3.54Å; F145-I156 HydrophobicContact CE2-CG1 4Å; F145-I156 HydrophobicContact CG-CD1 3.91Å; F145-I156 HydrophobicContact CG-CG1 4.01Å; F145-I174 HydrophobicContact CB-CD1 4.46Å; F145-I174 HydrophobicContact CD2-CD1 3.87Å; F145-I174 HydrophobicContact CD2-CG1 3.97Å; F145-I174 HydrophobicContact CD2-CG2 4.12Å; F145-I174 HydrophobicContact CE2-CG2 4Å
146	R	94.9	Very high	94.4	Very high	148 Å²	148	57.7 Å²	57.7	56%	0.558	28%	0.276	S	S	*	.	H	α-helix	trans	-70.3	-46.4	174.4	-66.6	172.9	-165.7	124.1	-0.3	111.3	C142 F143 E144 M148 N149	C142-R146 VanDerWaalsContact O-CG 3.32Å; C142-R146 WeakPolarHBondContact O-CG 2.97Å; C142-R146 PolarHBondContact O-N 3.12Å; C142-R146 VanDerWaalsContact O-N 3.11Å; F143-R146 PolarHBondContact O-N 2.8Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 3.35Å; R146-M148 PolarHBondContact O-N 3.19Å; R146-N149 WeakPolarHBondContact O-CA 3.24Å; R146-N149 PolarHBondContact O-N 2.72Å
147	R	95.2	Very high	94.8	Very high	109 Å²	109	53.9 Å²	53.9	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-57.8	-36.6	179.6	-166.1	-168.7	66.7	69.5	5.2	111.3	F143 E144 N149 Q204	F143-R147 WeakPolarHBondContact O-CB 3.35Å; F143-R147 PolarHBondContact O-N 3.26Å; E144-R147 VanDerWaalsContact CD-NE 3.29Å; E144-R147 PolarHBondContact O-N 3.04Å; E144-R147 IonicContact OE1-CZ 3.68Å; E144-R147 IonicContact OE1-NE 2.78Å; E144-R147 PolarHBondContact OE1-NE 3.43Å; E144-R147 IonicContact OE2-CZ 3.75Å; E144-R147 IonicContact OE2-NE 3.42Å; E144-R147 PolarHBondContact OE2-NE 3.15Å; E144-R147 IonicContact OE2-NH2 2.77Å; E144-R147 PolarHBondContact OE2-NH2 3.04Å; R147-N149 VanDerWaalsContact C-N 3.29Å; R147-N149 PolarHBondContact O-N 3.22Å; R147-Q204 PolarHBondContact O-NE2 3.33Å
148	M	95.8	Very high	95.2	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.03	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	3.2	177.4	-69.6	-172.3	-88.9	0	0	114.6	E144 R146 F150 I174 W201 R202	E144-M148 HydrophobicContact CB-CE 3.87Å; E144-M148 WeakPolarHBondContact O-CB 3.47Å; E144-M148 WeakPolarHBondContact O-CE 3.34Å; E144-M148 WeakPolarHBondContact O-CG 3.42Å; E144-M148 PolarHBondContact O-N 2.88Å; R146-M148 PolarHBondContact O-N 3.19Å; M148-F150 VanDerWaalsContact C-N 3.34Å; M148-F150 HydrophobicContact CB-CD2 3.74Å; M148-F150 HydrophobicContact CB-CE2 3.53Å; M148-F150 HydrophobicContact CE-CE2 3.81Å; M148-F150 HydrophobicContact CG-CE2 4.32Å; M148-F150 PolarHBondContact O-N 3.21Å; M148-F150 HydrophobicContact SD-CE2 3.87Å; M148-F150 HydrophobicContact SD-CZ 4.44Å; M148-I174 HydrophobicContact CE-CD1 4.24Å; M148-W201 VanDerWaalsContact SD-CA 3.53Å; M148-W201 HydrophobicContact SD-CB 4.43Å; M148-W201 HydrophobicContact SD-CG 4.4Å; M148-R202 HydrophobicContact CB-CB 4.39Å; M148-R202 PolarHBondContact O-NH1 2.98Å
149	N	95.3	Very high	95.4	Very high	100 Å²	100	55.5 Å²	55.5	54%	0.535	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	45.3	177	-167.1	29.1	0	0	0	113.3	F145 R146 R147 D151 R202 Q204	F145-N149 PolarHBondContact O-N 3.22Å; R146-N149 WeakPolarHBondContact O-CA 3.24Å; R146-N149 PolarHBondContact O-N 2.72Å; R147-N149 VanDerWaalsContact C-N 3.29Å; R147-N149 PolarHBondContact O-N 3.22Å; N149-D151 PolarHBondContact O-N 3.14Å; N149-R202 PolarHBondContact O-NH1 2.89Å; N149-Q204 HydrophobicContact CB-CG 4.22Å
150	F	95.2	Very high	95.6	Very high	16 Å²	16	55.5 Å²	55.5	7%	0.07	26%	0.263	C	S	.	.			trans	-67.6	129.9	173	-77.8	-80.9	0	0	0	110.6	F145 M148 W154 I174 V199 R202 V209	F145-F150 HydrophobicContact CD1-CB 3.94Å; F145-F150 HydrophobicContact CD2-CB 3.96Å; F145-F150 AromaticContact CD2-CD2 3.87Å; F145-F150 HydrophobicContact CD2-CD2 3.87Å; F145-F150 HydrophobicContact CD2-CG 4.02Å; F145-F150 HydrophobicContact CE1-CB 3.53Å; F145-F150 HydrophobicContact CE2-CB 3.58Å; F145-F150 HydrophobicContact CE2-CD1 4.48Å; F145-F150 HydrophobicContact CE2-CD2 4.19Å; F145-F150 AromaticContact CE2-CG 3.86Å; F145-F150 HydrophobicContact CE2-CG 3.86Å; F145-F150 HydrophobicContact CG-CB 4.13Å; F145-F150 HydrophobicContact CG-CD2 4.15Å; F145-F150 HydrophobicContact CG-CG 4.46Å; F145-F150 HydrophobicContact CZ-CB 3.33Å; F145-F150 HydrophobicContact CZ-CG 4.14Å; F145-F150 WeakPolarHBondContact O-CD2 3.49Å; F145-F150 PolarHBondContact O-N 3.03Å; M148-F150 VanDerWaalsContact C-N 3.34Å; M148-F150 HydrophobicContact CB-CD2 3.74Å; M148-F150 HydrophobicContact CB-CE2 3.53Å; M148-F150 HydrophobicContact CE-CE2 3.81Å; M148-F150 HydrophobicContact CG-CE2 4.32Å; M148-F150 PolarHBondContact O-N 3.21Å; M148-F150 HydrophobicContact SD-CE2 3.87Å; M148-F150 HydrophobicContact SD-CZ 4.44Å; F150-W154 HydrophobicContact CB-CB 4.13Å; F150-W154 HydrophobicContact CB-CG 4.46Å; F150-W154 HydrophobicContact CD1-CB 3.73Å; F150-W154 AromaticContact CD1-CD1 3.73Å; F150-W154 AromaticContact CD1-CD2 3.76Å; F150-W154 HydrophobicContact CD1-CD2 3.76Å; F150-W154 HydrophobicContact CD1-CE3 4.4Å; F150-W154 AromaticContact CD1-CG 3.43Å; F150-W154 HydrophobicContact CD1-CG 3.43Å; F150-W154 VanDerWaalsContact CD1-CG 3.43Å; F150-W154 AromaticContact CE1-CD2 3.94Å; F150-W154 HydrophobicContact CE1-CD2 3.94Å; F150-W154 HydrophobicContact CE1-CE3 4.22Å; F150-W154 HydrophobicContact CE1-CG 4.12Å; F150-W154 HydrophobicContact CG-CB 4.29Å; F150-W154 HydrophobicContact CG-CG 4.37Å; F150-I174 HydrophobicContact CD1-CG2 4.19Å; F150-I174 HydrophobicContact CD2-CD1 4.33Å; F150-I174 HydrophobicContact CE1-CG2 3.82Å; F150-I174 HydrophobicContact CE2-CD1 3.79Å; F150-I174 HydrophobicContact CE2-CG2 4.24Å; F150-I174 HydrophobicContact CZ-CD1 4.24Å; F150-I174 HydrophobicContact CZ-CG2 3.86Å; F150-V199 HydrophobicContact CE1-CG1 3.93Å; F150-V199 HydrophobicContact CZ-CG1 3.56Å; F150-R202 HydrophobicContact CD1-CB 4.46Å; F150-R202 HydrophobicContact CE1-CB 3.75Å; F150-R202 HydrophobicContact CE1-CG 4.24Å; F150-R202 HydrophobicContact CE2-CB 4.03Å; F150-R202 HydrophobicContact CZ-CB 3.49Å; F150-R202 VanDerWaalsContact CZ-CB 3.49Å; F150-R202 HydrophobicContact CZ-CG 4.44Å; F150-V209 HydrophobicContact CE1-CG1 4.41Å
151	D	93.1	Very high	95.7	Very high	62 Å²	62	56.2 Å²	56.2	33%	0.332	27%	0.267	S	S	.	.			trans	-84.5	-176.8	177.5	63.4	52.4	0	0	0	112.3	N149 T153 W154 R202	N149-D151 PolarHBondContact O-N 3.14Å; D151-T153 PolarHBondContact O-N 2.7Å; D151-T153 VanDerWaalsContact O-N 3.11Å; D151-T153 WeakPolarHBondContact OD1-CA 3.46Å; D151-T153 WeakPolarHBondContact OD1-CB 3.3Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.41Å; D151-T153 PolarHBondContact OD1-N 3.31Å; D151-T153 PolarHBondContact OD1-OG1 2.73Å; D151-W154 PolarHBondContact O-N 3.17Å; D151-W154 VanDerWaalsContact O-N 3.12Å; D151-R202 IonicContact OD2-NH2 3.56Å
152	K	94.5	Very high	95.8	Very high	193 Å²	193	61.3 Å²	61.3	84%	0.839	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.8	-176.4	-62.3	-178.3	-179.3	179.5	0	114.1	W154 R177	K152-W154 PolarHBondContact O-N 3.14Å; K152-R177 PolarHBondContact O-NH1 3.35Å
153	T	94.9	Very high	96	Very high	62 Å²	62	64.2 Å²	64.2	38%	0.38	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-8.9	176.8	72.2	0	0	0	0	112.7	D151 P176 R177	D151-T153 PolarHBondContact O-N 2.7Å; D151-T153 VanDerWaalsContact O-N 3.11Å; D151-T153 WeakPolarHBondContact OD1-CA 3.46Å; D151-T153 WeakPolarHBondContact OD1-CB 3.3Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.41Å; D151-T153 PolarHBondContact OD1-N 3.31Å; D151-T153 PolarHBondContact OD1-OG1 2.73Å; T153-P176 CarbonylContact O-C 3.59Å; T153-R177 WeakPolarHBondContact O-CB 3.3Å; T153-R177 PolarHBondContact O-N 2.9Å
154	W	97	Very high	96.1	Very high	1 Å²	1	69.1 Å²	69.1	0%	0.004	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.6	179.9	-61.1	90.1	0	0	0	111.8	F145 F150 D151 K152 I174 P176 R177 V199 V209 V235 C238	F145-W154 HydrophobicContact CE2-CB 4.02Å; F145-W154 HydrophobicContact CZ-CB 3.99Å; F145-W154 WeakPolarHBondContact CZ-O 3.31Å; F150-W154 HydrophobicContact CB-CB 4.13Å; F150-W154 HydrophobicContact CB-CG 4.46Å; F150-W154 HydrophobicContact CD1-CB 3.73Å; F150-W154 AromaticContact CD1-CD1 3.73Å; F150-W154 AromaticContact CD1-CD2 3.76Å; F150-W154 HydrophobicContact CD1-CD2 3.76Å; F150-W154 HydrophobicContact CD1-CE3 4.4Å; F150-W154 AromaticContact CD1-CG 3.43Å; F150-W154 HydrophobicContact CD1-CG 3.43Å; F150-W154 VanDerWaalsContact CD1-CG 3.43Å; F150-W154 AromaticContact CE1-CD2 3.94Å; F150-W154 HydrophobicContact CE1-CD2 3.94Å; F150-W154 HydrophobicContact CE1-CE3 4.22Å; F150-W154 HydrophobicContact CE1-CG 4.12Å; F150-W154 HydrophobicContact CG-CB 4.29Å; F150-W154 HydrophobicContact CG-CG 4.37Å; D151-W154 PolarHBondContact O-N 3.17Å; D151-W154 VanDerWaalsContact O-N 3.12Å; K152-W154 PolarHBondContact O-N 3.14Å; W154-I174 HydrophobicContact CE3-CG2 4.34Å; W154-P176 HydrophobicContact CE3-CG 4.26Å; W154-P176 HydrophobicContact CH2-CG 4.3Å; W154-P176 HydrophobicContact CZ3-CG 3.74Å; W154-R177 PolarHBondContact O-NH1 3.24Å; W154-V199 HydrophobicContact CE3-CG2 4.07Å; W154-V199 HydrophobicContact CH2-CG2 3.98Å; W154-V199 HydrophobicContact CZ3-CG2 3.37Å; W154-V209 HydrophobicContact CH2-CG1 3.85Å; W154-V209 HydrophobicContact CH2-CG2 4.06Å; W154-V209 HydrophobicContact CZ2-CG1 3.74Å; W154-V235 HydrophobicContact CH2-CB 4.43Å; W154-V235 HydrophobicContact CH2-CG1 4.19Å; W154-V235 HydrophobicContact CH2-CG2 4.16Å; W154-V235 HydrophobicContact CZ3-CG2 4.32Å; W154-C238 HydrophobicContact CH2-CB 4.06Å; W154-C238 HydrophobicContact CZ2-CB 3.43Å; W154-C238 VanDerWaalsContact CZ2-CB 3.43Å
155	K	97.5	Very high	96.2	Very high	29 Å²	29	67.4 Å²	67.4	13%	0.126	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154.8	176	71.7	173.9	171.6	167	0	111.7	I174 V175 R177 I179 D181	K155-I174 WeakPolarHBondContact O-CA 3.4Å; K155-V175 HydrophobicContact CD-CG2 4.17Å; K155-V175 HydrophobicContact CG-CG2 3.52Å; K155-V175 PolarHBondContact N-O 2.81Å; K155-V175 PolarHBondContact O-N 2.95Å; K155-R177 HydrophobicContact CB-CB 4.48Å; K155-R177 VanDerWaalsContact CB-NH1 3.32Å; K155-I179 WeakPolarHBondContact CE-O 3.34Å; K155-I179 PolarHBondContact NZ-O 3.46Å; K155-D181 IonicContact NZ-OD1 3.3Å; K155-D181 PolarHBondContact NZ-OD1 2.83Å; K155-D181 VanDerWaalsContact NZ-OD1 3.08Å
156	I	97.7	Very high	96.2	Very high	53 Å²	53	66 Å²	66	27%	0.272	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.1	157	-55.6	171.1	0	0	0	105.9	V141 F145 H172 H173 I174	V141-I156 HydrophobicContact CG1-CD1 4.26Å; V141-I156 HydrophobicContact CG1-CG2 4.21Å; V141-I156 HydrophobicContact CG2-CD1 4.26Å; V141-I156 HydrophobicContact CG2-CG1 4.47Å; V141-I156 HydrophobicContact CG2-CG2 4.26Å; F145-I156 HydrophobicContact CB-CD1 3.85Å; F145-I156 HydrophobicContact CB-CG1 4.34Å; F145-I156 HydrophobicContact CD2-CD1 3.97Å; F145-I156 HydrophobicContact CD2-CG1 3.54Å; F145-I156 HydrophobicContact CE2-CG1 4Å; F145-I156 HydrophobicContact CG-CD1 3.91Å; F145-I156 HydrophobicContact CG-CG1 4.01Å; I156-H172 HydrophobicContact CG2-CB 3.93Å; I156-H173 CarbonylContact C-O 3.56Å; I156-H173 VanDerWaalsContact CA-O 3.31Å; I156-H173 WeakPolarHBondContact CA-O 3.33Å; I156-I174 HydrophobicContact CG1-CG1 4.46Å
157	T	97.3	Very high	96.3	Very high	4 Å²	4	63.7 Å²	63.7	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.3	169.1	178.6	0	0	0	0	108.8	I159 H172 H173 V175 D181 I184	T157-I159 HydrophobicContact CG2-CG2 4.05Å; T157-I159 WeakPolarHBondContact OG1-CB 3.43Å; T157-I159 WeakPolarHBondContact OG1-CG2 3.42Å; T157-I159 PolarHBondContact OG1-N 3.42Å; T157-H172 WeakPolarHBondContact O-CA 3.38Å; T157-H173 HydrophobicContact CG2-CB 3.84Å; T157-H173 PolarHBondContact N-O 2.99Å; T157-H173 PolarHBondContact O-N 3.42Å; T157-V175 HydrophobicContact CG2-CG1 4.14Å; T157-V175 HydrophobicContact CG2-CG2 3.78Å; T157-D181 PolarHBondContact OG1-OD1 2.76Å; T157-D181 VanDerWaalsContact OG1-OD1 3.08Å; T157-I184 HydrophobicContact CG2-CD1 3.81Å
158	D	96.6	Very high	96.4	Very high	97 Å²	97	62.3 Å²	62.3	52%	0.519	32%	0.318	S	S	.	.			trans	-107	17.8	176.9	61.5	-17.4	0	0	0	111.4	N160 N161	D158-N160 PolarHBondContact O-N 2.88Å; D158-N161 HydrophobicContact CB-CB 4.38Å; D158-N161 WeakPolarHBondContact O-CB 3.36Å; D158-N161 PolarHBondContact O-N 2.64Å
159	I	97.1	Very high	96.4	Very high	50 Å²	50	63.4 Å²	63.4	26%	0.256	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23	-177.3	-167	60.2	0	0	0	113.7	T157 I165 D181 I184	T157-I159 HydrophobicContact CG2-CG2 4.05Å; T157-I159 WeakPolarHBondContact OG1-CB 3.43Å; T157-I159 WeakPolarHBondContact OG1-CG2 3.42Å; T157-I159 PolarHBondContact OG1-N 3.42Å; I159-I165 HydrophobicContact CB-CD1 4.33Å; I159-I165 HydrophobicContact CG1-CD1 3.53Å; I159-I165 HydrophobicContact CG2-CD1 4Å; I159-D181 HydrophobicContact CB-CB 4.28Å; I159-D181 HydrophobicContact CD1-CB 3.68Å; I159-D181 HydrophobicContact CG1-CB 3.86Å; I159-I184 HydrophobicContact CG2-CD1 4.21Å; I159-I184 HydrophobicContact CG2-CG2 4.22Å
160	N	97.2	Very high	96.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	18.1	176	-160.2	49.8	0	0	0	113.1	D158 E162 F163 I165 C166 Y169 P170 R171	D158-N160 PolarHBondContact O-N 2.88Å; N160-E162 PolarHBondContact O-N 3.48Å; N160-F163 WeakPolarHBondContact O-CA 3.37Å; N160-F163 PolarHBondContact O-N 2.86Å; N160-I165 PolarHBondContact OD1-N 2.91Å; N160-C166 PolarHBondContact ND2-O 3.12Å; N160-C166 PolarHBondContact OD1-N 2.63Å; N160-C166 PolarHBondContact OD1-O 2.77Å; N160-Y169 PolarHBondContact ND2-O 2.85Å; N160-P170 PolarHBondContact ND2-O 2.82Å; N160-R171 CarbonylContact C-O 3.59Å
161	N	96.7	Very high	96.5	Very high	62 Å²	62	65.7 Å²	65.7	33%	0.332	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.2	-176.4	179.6	43.4	0	0	0	113.9	D158 R171	D158-N161 HydrophobicContact CB-CB 4.38Å; D158-N161 WeakPolarHBondContact O-CB 3.36Å; D158-N161 PolarHBondContact O-N 2.64Å; N161-R171 PolarHBondContact N-O 2.83Å; N161-R171 PolarHBondContact O-NH1 3.23Å; N161-R171 WeakPolarHBondContact OD1-CD 3.31Å; N161-R171 PolarHBondContact OD1-NH1 3.05Å; N161-R171 VanDerWaalsContact OD1-NH1 3.09Å
162	E	96.5	Very high	96.7	Very high	130 Å²	130	63.8 Å²	63.8	61%	0.607	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	12.3	175.2	-66.4	-179.9	-124.6	0	0	113.1	N160 K164	N160-E162 PolarHBondContact O-N 3.48Å; E162-K164 HydrophobicContact CB-CD 4.24Å; E162-K164 HydrophobicContact CB-CG 4.04Å; E162-K164 PolarHBondContact O-N 2.83Å; E162-K164 IonicContact OE1-NZ 2.87Å; E162-K164 WeakPolarHBondContact OE2-CE 3.1Å; E162-K164 IonicContact OE2-NZ 3.2Å; E162-K164 PolarHBondContact OE2-NZ 3.13Å
163	F	97.2	Very high	96.9	Very high	80 Å²	80	54.7 Å²	54.7	35%	0.351	28%	0.283	S	S	.	.	S	Bend	trans	59.1	18.4	178.7	-54.2	-74.1	0	0	0	114.9	N160 Y169 R171	N160-F163 WeakPolarHBondContact O-CA 3.37Å; N160-F163 PolarHBondContact O-N 2.86Å; F163-Y169 WeakPolarHBondContact CD1-O 3.24Å; F163-Y169 WeakPolarHBondContact CE1-O 3.44Å; F163-R171 HydrophobicContact CE1-CG 3.9Å; F163-R171 HydrophobicContact CE2-CG 4.19Å; F163-R171 HydrophobicContact CZ-CG 3.53Å
164	K	96.9	Very high	97	Very high	158 Å²	158	52.2 Å²	52.2	69%	0.687	27%	0.267	S	S	*	.	S	Bend	trans	-72.6	-30.6	-175.7	-71	-179.7	-178.5	160.6	0	114	E162	E162-K164 HydrophobicContact CB-CD 4.24Å; E162-K164 HydrophobicContact CB-CG 4.04Å; E162-K164 PolarHBondContact O-N 2.83Å; E162-K164 IonicContact OE1-NZ 2.87Å; E162-K164 WeakPolarHBondContact OE2-CE 3.1Å; E162-K164 IonicContact OE2-NZ 3.2Å; E162-K164 PolarHBondContact OE2-NZ 3.13Å
165	I	97.3	Very high	97	Very high	22 Å²	22	52.1 Å²	52.1	11%	0.113	27%	0.267	C	S	.	.	S	Bend	trans	-81.2	-52.4	178.5	-64.1	179.7	0	0	0	109.7	I159 N160 I185 A188 N194 F196	I159-I165 HydrophobicContact CB-CD1 4.33Å; I159-I165 HydrophobicContact CG1-CD1 3.53Å; I159-I165 HydrophobicContact CG2-CD1 4Å; N160-I165 PolarHBondContact OD1-N 2.91Å; I165-I185 HydrophobicContact CD1-CG1 3.59Å; I165-I185 HydrophobicContact CG1-CG1 4.27Å; I165-A188 HydrophobicContact CG2-CB 3.46Å; I165-A188 VanDerWaalsContact CG2-CB 3.46Å; I165-N194 WeakPolarHBondContact O-CB 3.42Å; I165-N194 PolarHBondContact O-ND2 3.41Å; I165-N194 VanDerWaalsContact O-ND2 3.1Å; I165-F196 HydrophobicContact CB-CE1 4.42Å; I165-F196 HydrophobicContact CG2-CD1 3.78Å; I165-F196 HydrophobicContact CG2-CE1 3.73Å
166	C	97.1	Very high	97	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.02	26%	0.261	C	S	.	.			trans	-142.8	112.4	179.9	178	0	0	0	0	110.2	N160 T168 Y169 N194	N160-C166 PolarHBondContact ND2-O 3.12Å; N160-C166 PolarHBondContact OD1-N 2.63Å; N160-C166 PolarHBondContact OD1-O 2.77Å; C166-T168 PolarHBondContact O-N 2.92Å; C166-T168 PolarHBondContact SG-OG1 3.13Å; C166-T168 VanDerWaalsContact SG-OG1 3.39Å; C166-Y169 HydrophobicContact CB-CD2 4.24Å; C166-Y169 HydrophobicContact CB-CG 4.12Å; C166-Y169 PolarHBondContact O-N 3.01Å; C166-N194 HydrophobicContact CB-CB 4.29Å; C166-N194 WeakPolarHBondContact CB-O 3.43Å
167	S	97.2	Very high	97	Very high	100 Å²	100	54.6 Å²	54.6	70%	0.699	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.2	-178.3	58.8	0	0	0	0	114.6
168	T	96.2	Very high	97	Very high	80 Å²	80	58.4 Å²	58.4	49%	0.491	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	1.5	-179.8	64	0	0	0	0	113.4	C166 R195	C166-T168 PolarHBondContact O-N 2.92Å; C166-T168 PolarHBondContact SG-OG1 3.13Å; C166-T168 VanDerWaalsContact SG-OG1 3.39Å; T168-R195 PolarHBondContact OG1-NE 3.45Å; T168-R195 PolarHBondContact OG1-NH2 2.82Å
169	Y	96.3	Very high	97	Very high	29 Å²	29	53.9 Å²	53.9	11%	0.114	28%	0.275	C	S	.	.	S	Bend	trans	-102	157	177.2	-93.1	14.5	0	0	0	111.5	N160 F163 C166 H173 R195 F196 T198 C213	N160-Y169 PolarHBondContact ND2-O 2.85Å; F163-Y169 WeakPolarHBondContact CD1-O 3.24Å; F163-Y169 WeakPolarHBondContact CE1-O 3.44Å; C166-Y169 HydrophobicContact CB-CD2 4.24Å; C166-Y169 HydrophobicContact CB-CG 4.12Å; C166-Y169 PolarHBondContact O-N 3.01Å; Y169-H173 AromaticContact CD2-CE1 3.18Å; Y169-H173 WeakPolarHBondContact CD2-CE1 3.47Å; Y169-H173 AromaticContact CD2-NE2 3.73Å; Y169-H173 AromaticContact CE2-CE1 3.84Å; Y169-H173 AromaticContact CG-CE1 3.72Å; Y169-R195 HydrophobicContact CD1-CB 4.42Å; Y169-R195 HydrophobicContact CD1-CG 3.99Å; Y169-R195 HydrophobicContact CE1-CB 3.67Å; Y169-R195 HydrophobicContact CE1-CG 3.62Å; Y169-R195 HydrophobicContact CE2-CB 4.32Å; Y169-F196 HydrophobicContact CD2-CD1 4.06Å; Y169-F196 AromaticContact CD2-CE1 3.77Å; Y169-F196 HydrophobicContact CD2-CE1 3.77Å; Y169-F196 HydrophobicContact CD2-CE2 4.43Å; Y169-F196 AromaticContact CD2-CZ 3.97Å; Y169-F196 HydrophobicContact CD2-CZ 3.97Å; Y169-F196 HydrophobicContact CE2-CD1 4.15Å; Y169-F196 HydrophobicContact CE2-CD2 4.32Å; Y169-F196 HydrophobicContact CE2-CE1 4.25Å; Y169-F196 HydrophobicContact CE2-CE2 4.42Å; Y169-F196 HydrophobicContact CE2-CG 4.18Å; Y169-F196 HydrophobicContact CE2-CZ 4.39Å; Y169-F196 WeakPolarHBondContact CE2-O 3.29Å; Y169-F196 PolarHBondContact OH-O 3.01Å; Y169-T198 HydrophobicContact CE2-CG2 4.24Å; Y169-C213 WeakPolarHBondContact OH-CA 3.43Å
170	P	96	Very high	97.1	Very high	81 Å²	81	53.9 Å²	53.9	53%	0.526	28%	0.279	S	S	.	.			trans	-64.1	169.9	174	29.7	-36.5	0	0	0	111.9	N160 H172 H173	N160-P170 PolarHBondContact ND2-O 2.82Å; P170-H172 VanDerWaalsContact C-N 3.3Å; P170-H172 PolarHBondContact O-N 3.09Å; P170-H173 PolarHBondContact O-NE2 3Å
171	R	96.7	Very high	97	Very high	83 Å²	83	56.5 Å²	56.5	31%	0.313	29%	0.293	S	S	.	.	S	Bend	trans	-63.8	-37.3	175.4	-66.2	176	-176.1	-105.1	0.5	112.6	D137 N160 N161 F163	D137-R171 IonicContact OD2-NE 2.7Å; N160-R171 CarbonylContact C-O 3.59Å; N161-R171 PolarHBondContact N-O 2.83Å; N161-R171 PolarHBondContact O-NH1 3.23Å; N161-R171 WeakPolarHBondContact OD1-CD 3.31Å; N161-R171 PolarHBondContact OD1-NH1 3.05Å; N161-R171 VanDerWaalsContact OD1-NH1 3.09Å; F163-R171 HydrophobicContact CE1-CG 3.9Å; F163-R171 HydrophobicContact CE2-CG 4.19Å; F163-R171 HydrophobicContact CZ-CG 3.53Å
172	H	97.5	Very high	97.1	Very high	22 Å²	22	58 Å²	58	10%	0.102	30%	0.302	C	S	.	.			trans	-118.1	138.7	-168.1	-59.4	-43.5	0	0	0	111.9	T138 V141 I156 T157 P170	T138-H172 PolarHBondContact OG1-NE2 2.88Å; V141-H172 HydrophobicContact CB-CB 4.29Å; V141-H172 HydrophobicContact CG1-CB 3.8Å; V141-H172 HydrophobicContact CG2-CB 4.19Å; I156-H172 HydrophobicContact CG2-CB 3.93Å; T157-H172 WeakPolarHBondContact O-CA 3.38Å; P170-H172 VanDerWaalsContact C-N 3.3Å; P170-H172 PolarHBondContact O-N 3.09Å
173	H	97.5	Very high	97.1	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.009	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.1	-177.6	-69.7	-86.9	0	0	0	111.9	I156 T157 Y169 P170 V175 F196 T198	I156-H173 CarbonylContact C-O 3.56Å; I156-H173 VanDerWaalsContact CA-O 3.31Å; I156-H173 WeakPolarHBondContact CA-O 3.33Å; T157-H173 HydrophobicContact CG2-CB 3.84Å; T157-H173 PolarHBondContact N-O 2.99Å; T157-H173 PolarHBondContact O-N 3.42Å; Y169-H173 AromaticContact CD2-CE1 3.18Å; Y169-H173 WeakPolarHBondContact CD2-CE1 3.47Å; Y169-H173 AromaticContact CD2-NE2 3.73Å; Y169-H173 AromaticContact CE2-CE1 3.84Å; Y169-H173 AromaticContact CG-CE1 3.72Å; P170-H173 PolarHBondContact O-NE2 3Å; H173-V175 HydrophobicContact CB-CG1 4.39Å; H173-F196 HydrophobicContact CB-CE2 4.21Å; H173-F196 AromaticContact CD2-CZ 3.51Å; H173-F196 AromaticContact CE1-CZ 3.69Å; H173-F196 AromaticContact CG-CE2 3.71Å; H173-F196 AromaticContact CG-CZ 3.69Å; H173-F196 AromaticContact ND1-CE2 3.71Å; H173-F196 AromaticContact ND1-CZ 3.8Å; H173-F196 AromaticContact NE2-CZ 3.48Å; H173-F196 WeakPolarHBondContact NE2-CZ 3.38Å; H173-T198 WeakPolarHBondContact ND1-CB 3.34Å; H173-T198 PolarHBondContact ND1-OG1 2.88Å
174	I	97.7	Very high	97.2	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.051	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.2	173.7	-57.5	174.9	0	0	0	108.5	V141 F145 M148 F150 W154 K155 I156 V199	V141-I174 HydrophobicContact CG2-CG1 4.36Å; F145-I174 HydrophobicContact CB-CD1 4.46Å; F145-I174 HydrophobicContact CD2-CD1 3.87Å; F145-I174 HydrophobicContact CD2-CG1 3.97Å; F145-I174 HydrophobicContact CD2-CG2 4.12Å; F145-I174 HydrophobicContact CE2-CG2 4Å; M148-I174 HydrophobicContact CE-CD1 4.24Å; F150-I174 HydrophobicContact CD1-CG2 4.19Å; F150-I174 HydrophobicContact CD2-CD1 4.33Å; F150-I174 HydrophobicContact CE1-CG2 3.82Å; F150-I174 HydrophobicContact CE2-CD1 3.79Å; F150-I174 HydrophobicContact CE2-CG2 4.24Å; F150-I174 HydrophobicContact CZ-CD1 4.24Å; F150-I174 HydrophobicContact CZ-CG2 3.86Å; W154-I174 HydrophobicContact CE3-CG2 4.34Å; K155-I174 WeakPolarHBondContact O-CA 3.4Å; I156-I174 HydrophobicContact CG1-CG1 4.46Å; I174-V199 HydrophobicContact CB-CB 4.08Å; I174-V199 HydrophobicContact CG2-CB 4.04Å; I174-V199 HydrophobicContact CG2-CG1 4.49Å; I174-V199 WeakPolarHBondContact O-CB 3.41Å; I174-V199 PolarHBondContact O-N 2.8Å
175	V	97.1	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	160	-176.7	-59.4	0	0	0	0	110.4	K155 T157 H173 I184 F231	K155-V175 HydrophobicContact CD-CG2 4.17Å; K155-V175 HydrophobicContact CG-CG2 3.52Å; K155-V175 PolarHBondContact N-O 2.81Å; K155-V175 PolarHBondContact O-N 2.95Å; T157-V175 HydrophobicContact CG2-CG1 4.14Å; T157-V175 HydrophobicContact CG2-CG2 3.78Å; H173-V175 HydrophobicContact CB-CG1 4.39Å; V175-I184 HydrophobicContact CG1-CD1 4.13Å; V175-I184 HydrophobicContact CG2-CD1 4.19Å; V175-F231 HydrophobicContact CB-CE2 3.95Å; V175-F231 HydrophobicContact CB-CZ 4.28Å; V175-F231 HydrophobicContact CG1-CE2 3.81Å; V175-F231 HydrophobicContact CG1-CZ 4.05Å
176	P	97	Very high	97.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	142.2	171.1	-22.2	33	0	0	0	111.7	T153 W154 S178 I179 T234 V235	T153-P176 CarbonylContact O-C 3.59Å; W154-P176 HydrophobicContact CE3-CG 4.26Å; W154-P176 HydrophobicContact CH2-CG 4.3Å; W154-P176 HydrophobicContact CZ3-CG 3.74Å; P176-S178 VanDerWaalsContact C-N 3.27Å; P176-S178 PolarHBondContact O-N 2.8Å; P176-I179 HydrophobicContact CB-CG1 4.03Å; P176-I179 HydrophobicContact CG-CG1 4.15Å; P176-I179 WeakPolarHBondContact O-CB 3.4Å; P176-I179 PolarHBondContact O-N 2.85Å; P176-I179 VanDerWaalsContact O-N 3.1Å; P176-T234 HydrophobicContact CB-CG2 3.41Å; P176-T234 VanDerWaalsContact CB-CG2 3.41Å; P176-T234 HydrophobicContact CG-CG2 3.83Å; P176-V235 HydrophobicContact CG-CG2 3.73Å
177	R	97.6	Very high	97.2	Very high	134 Å²	134	45.9 Å²	45.9	51%	0.506	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-33	-176.8	175.9	147.1	-93.1	89.6	4.1	113	K152 T153 W154 K155 I179	K152-R177 PolarHBondContact O-NH1 3.35Å; T153-R177 WeakPolarHBondContact O-CB 3.3Å; T153-R177 PolarHBondContact O-N 2.9Å; W154-R177 PolarHBondContact O-NH1 3.24Å; K155-R177 HydrophobicContact CB-CB 4.48Å; K155-R177 VanDerWaalsContact CB-NH1 3.32Å; R177-I179 VanDerWaalsContact C-N 3.26Å; R177-I179 PolarHBondContact O-N 3.5Å
178	S	96.9	Very high	97.2	Very high	83 Å²	83	41.2 Å²	41.2	58%	0.58	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.2	178.9	56.5	0	0	0	0	114.2	P176 S180 T234	P176-S178 VanDerWaalsContact C-N 3.27Å; P176-S178 PolarHBondContact O-N 2.8Å; S178-S180 PolarHBondContact O-N 2.81Å; S178-T234 WeakPolarHBondContact OG-CG2 3.27Å
179	I	98	Very high	97.2	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.221	C	C	.	.	S	Bend	trans	-79.6	118.7	172.9	-64.8	-62.1	0	0	0	108.3	K155 P176 R177 D183 I184 K230 F231 T234	K155-I179 WeakPolarHBondContact CE-O 3.34Å; K155-I179 PolarHBondContact NZ-O 3.46Å; P176-I179 HydrophobicContact CB-CG1 4.03Å; P176-I179 HydrophobicContact CG-CG1 4.15Å; P176-I179 WeakPolarHBondContact O-CB 3.4Å; P176-I179 PolarHBondContact O-N 2.85Å; P176-I179 VanDerWaalsContact O-N 3.1Å; R177-I179 VanDerWaalsContact C-N 3.26Å; R177-I179 PolarHBondContact O-N 3.5Å; I179-D183 HydrophobicContact CG2-CB 3.93Å; I179-I184 HydrophobicContact CG2-CD1 4.28Å; I179-I184 HydrophobicContact CG2-CG1 3.72Å; I179-K230 HydrophobicContact CD1-CG 4.22Å; I179-F231 HydrophobicContact CB-CD2 4.48Å; I179-F231 HydrophobicContact CD1-CB 4.45Å; I179-F231 HydrophobicContact CD1-CD2 4.27Å; I179-F231 HydrophobicContact CG1-CD2 3.93Å; I179-F231 HydrophobicContact CG1-CE2 4.39Å; I179-F231 HydrophobicContact CG2-CD2 3.94Å; I179-F231 HydrophobicContact CG2-CE2 4.25Å; I179-T234 HydrophobicContact CD1-CG2 4.35Å; I179-T234 HydrophobicContact CG1-CG2 4.2Å
180	S	97.6	Very high	97.2	Very high	51 Å²	51	40.8 Å²	40.8	36%	0.357	22%	0.22	S	C	.	.			trans	-76.7	159	175.8	69.8	0	0	0	0	110.9	S178 N182 D183 I184	S178-S180 PolarHBondContact O-N 2.81Å; S180-N182 PolarHBondContact O-N 2.77Å; S180-D183 WeakPolarHBondContact CB-OD2 3.23Å; S180-D183 PolarHBondContact N-OD2 2.87Å; S180-D183 WeakPolarHBondContact O-CB 3.39Å; S180-D183 PolarHBondContact O-N 3.4Å; S180-D183 VanDerWaalsContact O-N 3.09Å; S180-D183 PolarHBondContact OG-N 3.05Å; S180-D183 VanDerWaalsContact OG-N 3.16Å; S180-D183 PolarHBondContact OG-OD2 3.1Å; S180-I184 PolarHBondContact O-N 2.8Å
181	D	97	Very high	97.2	Very high	55 Å²	55	37.2 Å²	37.2	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-67	-29	178.8	-59.9	-21.5	0	0	0	111.5	K155 T157 I159 I184 I185	K155-D181 IonicContact NZ-OD1 3.3Å; K155-D181 PolarHBondContact NZ-OD1 2.83Å; K155-D181 VanDerWaalsContact NZ-OD1 3.08Å; T157-D181 PolarHBondContact OG1-OD1 2.76Å; T157-D181 VanDerWaalsContact OG1-OD1 3.08Å; I159-D181 HydrophobicContact CB-CB 4.28Å; I159-D181 HydrophobicContact CD1-CB 3.68Å; I159-D181 HydrophobicContact CG1-CB 3.86Å; D181-I184 WeakPolarHBondContact O-CB 3.42Å; D181-I184 PolarHBondContact O-N 2.82Å; D181-I185 WeakPolarHBondContact O-CG1 3.36Å; D181-I185 PolarHBondContact O-N 3.3Å
182	N	97.4	Very high	97.1	Very high	94 Å²	94	34.4 Å²	34.4	50%	0.503	19%	0.189	S	C	.	.	H	α-helix	trans	-65.1	-37	170.9	-172.6	67.7	0	0	0	112.4	S180 I184 I185 N186	S180-N182 PolarHBondContact O-N 2.77Å; N182-I184 PolarHBondContact O-N 2.79Å; N182-I185 PolarHBondContact O-N 2.75Å; N182-N186 PolarHBondContact ND2-ND2 3.07Å; N182-N186 PolarHBondContact O-N 3.13Å; N182-N186 VanDerWaalsContact O-N 3.14Å; N182-N186 PolarHBondContact O-ND2 3Å; N182-N186 PolarHBondContact OD1-ND2 2.92Å
183	D	97.9	Very high	97	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.059	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-38.5	173	-63.4	-53.8	0	0	0	110.7	I179 S180 N186 M187 Y227 K230	I179-D183 HydrophobicContact CG2-CB 3.93Å; S180-D183 WeakPolarHBondContact CB-OD2 3.23Å; S180-D183 PolarHBondContact N-OD2 2.87Å; S180-D183 WeakPolarHBondContact O-CB 3.39Å; S180-D183 PolarHBondContact O-N 3.4Å; S180-D183 VanDerWaalsContact O-N 3.09Å; S180-D183 PolarHBondContact OG-N 3.05Å; S180-D183 VanDerWaalsContact OG-N 3.16Å; S180-D183 PolarHBondContact OG-OD2 3.1Å; D183-N186 PolarHBondContact O-N 2.93Å; D183-M187 VanDerWaalsContact O-CB 3.27Å; D183-M187 WeakPolarHBondContact O-CB 3.44Å; D183-M187 PolarHBondContact O-N 2.69Å; D183-Y227 HydrophobicContact CB-CD1 4.11Å; D183-Y227 VanDerWaalsContact OD1-CD1 3.3Å; D183-Y227 WeakPolarHBondContact OD1-CD1 3.21Å; D183-K230 IonicContact OD1-NZ 3.61Å; D183-K230 PolarHBondContact OD1-NZ 3.12Å; D183-K230 IonicContact OD2-NZ 2.91Å; D183-K230 PolarHBondContact OD2-NZ 3.02Å
184	I	98.1	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.5	-44.6	179.2	-60.7	173.2	0	0	0	110.9	T157 I159 V175 I179 S180 D181 N182 N186 M187 A188 F196	T157-I184 HydrophobicContact CG2-CD1 3.81Å; I159-I184 HydrophobicContact CG2-CD1 4.21Å; I159-I184 HydrophobicContact CG2-CG2 4.22Å; V175-I184 HydrophobicContact CG1-CD1 4.13Å; V175-I184 HydrophobicContact CG2-CD1 4.19Å; I179-I184 HydrophobicContact CG2-CD1 4.28Å; I179-I184 HydrophobicContact CG2-CG1 3.72Å; S180-I184 PolarHBondContact O-N 2.8Å; D181-I184 WeakPolarHBondContact O-CB 3.42Å; D181-I184 PolarHBondContact O-N 2.82Å; N182-I184 PolarHBondContact O-N 2.79Å; I184-N186 VanDerWaalsContact C-N 3.34Å; I184-N186 PolarHBondContact O-N 2.91Å; I184-M187 HydrophobicContact CG2-CE 4.39Å; I184-M187 PolarHBondContact O-N 2.84Å; I184-A188 VanDerWaalsContact O-CB 3.29Å; I184-A188 WeakPolarHBondContact O-CB 3.17Å; I184-A188 PolarHBondContact O-N 2.78Å; I184-F196 HydrophobicContact CG2-CD1 4.22Å; I184-F196 HydrophobicContact CG2-CD2 3.76Å; I184-F196 HydrophobicContact CG2-CE1 4.2Å; I184-F196 HydrophobicContact CG2-CE2 3.73Å; I184-F196 HydrophobicContact CG2-CG 4.01Å; I184-F196 HydrophobicContact CG2-CZ 3.96Å
185	I	97.9	Very high	96.9	Very high	79 Å²	79	44.4 Å²	44.4	41%	0.405	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-46.8	177.7	-67.7	164.9	0	0	0	110.8	I165 D181 N182 A188 S189	I165-I185 HydrophobicContact CD1-CG1 3.59Å; I165-I185 HydrophobicContact CG1-CG1 4.27Å; D181-I185 WeakPolarHBondContact O-CG1 3.36Å; D181-I185 PolarHBondContact O-N 3.3Å; N182-I185 PolarHBondContact O-N 2.75Å; I185-A188 PolarHBondContact O-N 3.43Å; I185-S189 PolarHBondContact O-N 3.24Å
186	N	97.7	Very high	96.9	Very high	48 Å²	48	44.4 Å²	44.4	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-73.1	-28.4	-179.2	-69.8	-66.7	0	0	0	113.7	N182 D183 I184 S189 N225 Y227	N182-N186 PolarHBondContact ND2-ND2 3.07Å; N182-N186 PolarHBondContact O-N 3.13Å; N182-N186 VanDerWaalsContact O-N 3.14Å; N182-N186 PolarHBondContact O-ND2 3Å; N182-N186 PolarHBondContact OD1-ND2 2.92Å; D183-N186 PolarHBondContact O-N 2.93Å; I184-N186 VanDerWaalsContact C-N 3.34Å; I184-N186 PolarHBondContact O-N 2.91Å; N186-S189 PolarHBondContact O-OG 3.26Å; N186-N225 PolarHBondContact O-ND2 3.36Å; N186-Y227 HydrophobicContact CB-CD1 4.11Å; N186-Y227 HydrophobicContact CB-CD2 3.34Å; N186-Y227 HydrophobicContact CB-CE1 4.25Å; N186-Y227 HydrophobicContact CB-CE2 3.5Å; N186-Y227 VanDerWaalsContact CB-CE2 3.5Å; N186-Y227 HydrophobicContact CB-CG 3.65Å
187	M	96.5	Very high	96.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70.2	-40.3	169.9	172.3	179.1	68.5	0	0	111.1	D183 I184 S189 F190 F196 L197 D228 F231	D183-M187 VanDerWaalsContact O-CB 3.27Å; D183-M187 WeakPolarHBondContact O-CB 3.44Å; D183-M187 PolarHBondContact O-N 2.69Å; I184-M187 HydrophobicContact CG2-CE 4.39Å; I184-M187 PolarHBondContact O-N 2.84Å; M187-S189 PolarHBondContact O-N 2.9Å; M187-F190 PolarHBondContact O-N 3.43Å; M187-F196 HydrophobicContact CE-CB 3.69Å; M187-F196 HydrophobicContact CE-CD2 3.91Å; M187-F196 HydrophobicContact CE-CG 4.19Å; M187-F196 HydrophobicContact CG-CB 4.43Å; M187-L197 HydrophobicContact CE-CB 4.06Å; M187-L197 HydrophobicContact SD-CB 3.8Å; M187-L197 HydrophobicContact SD-CD1 3.77Å; M187-L197 HydrophobicContact SD-CG 4.01Å; M187-D228 HydrophobicContact CG-CB 4.18Å; M187-D228 WeakPolarHBondContact CG-OD2 3.44Å; M187-F231 HydrophobicContact CE-CD2 3.67Å; M187-F231 HydrophobicContact CE-CE2 3.92Å; M187-F231 HydrophobicContact CE-CG 4.14Å; M187-F231 HydrophobicContact SD-CB 3.63Å; M187-F231 HydrophobicContact SD-CD1 4.29Å; M187-F231 HydrophobicContact SD-CD2 3.76Å; M187-F231 HydrophobicContact SD-CE2 4.49Å; M187-F231 HydrophobicContact SD-CG 3.63Å
188	A	97.4	Very high	96.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-42.7	-177.8	0	0	0	0	0	112	I165 I184 I185 F190 R191 N194 F196	I165-A188 HydrophobicContact CG2-CB 3.46Å; I165-A188 VanDerWaalsContact CG2-CB 3.46Å; I184-A188 VanDerWaalsContact O-CB 3.29Å; I184-A188 WeakPolarHBondContact O-CB 3.17Å; I184-A188 PolarHBondContact O-N 2.78Å; I185-A188 PolarHBondContact O-N 3.43Å; A188-F190 PolarHBondContact O-N 3.44Å; A188-R191 PolarHBondContact O-N 3.15Å; A188-N194 HydrophobicContact CB-CB 4.19Å; A188-N194 WeakPolarHBondContact O-CA 3.41Å; A188-N194 PolarHBondContact O-OD1 2.97Å; A188-F196 HydrophobicContact CB-CB 3.9Å; A188-F196 HydrophobicContact CB-CD1 3.88Å; A188-F196 HydrophobicContact CB-CG 4.28Å
189	S	96.3	Very high	96.6	Very high	78 Å²	78	34.9 Å²	34.9	55%	0.545	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.5	178	65.5	0	0	0	0	114.1	I185 N186 M187	I185-S189 PolarHBondContact O-N 3.24Å; N186-S189 PolarHBondContact O-OG 3.26Å; M187-S189 PolarHBondContact O-N 2.9Å
190	F	96	Very high	96.5	Very high	22 Å²	22	37.2 Å²	37.2	10%	0.096	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.9	175.6	-174.7	-115.7	0	0	0	113.9	M187 A188 P216 C217 V218 S223 N225 D228	M187-F190 PolarHBondContact O-N 3.43Å; A188-F190 PolarHBondContact O-N 3.44Å; F190-P216 HydrophobicContact CD1-CB 4.12Å; F190-P216 HydrophobicContact CE1-CB 3.53Å; F190-P216 HydrophobicContact CZ-CB 3.99Å; F190-P216 CarbonylContact O-C 3.52Å; F190-P216 WeakPolarHBondContact O-CA 3.16Å; F190-C217 HydrophobicContact CD2-CB 4.47Å; F190-C217 WeakPolarHBondContact CE2-O 3.39Å; F190-C217 WeakPolarHBondContact O-CB 3.43Å; F190-C217 PolarHBondContact O-N 2.85Å; F190-V218 HydrophobicContact CZ-CG1 3.9Å; F190-S223 VanDerWaalsContact CZ-O 3.29Å; F190-S223 WeakPolarHBondContact CZ-O 3.26Å; F190-N225 HydrophobicContact CB-CB 3.74Å; F190-N225 HydrophobicContact CD1-CB 3.28Å; F190-N225 HydrophobicContact CD2-CB 3.89Å; F190-N225 HydrophobicContact CE1-CB 3.74Å; F190-N225 HydrophobicContact CE2-CB 4.31Å; F190-N225 HydrophobicContact CG-CB 3.34Å; F190-N225 HydrophobicContact CZ-CB 4.24Å; F190-D228 HydrophobicContact CD1-CB 4.13Å
191	R	95.2	Very high	96.4	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.026	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-107.1	139.3	-179.9	-65.1	-69	-170.3	160.2	-8.2	109.9	A188 H193 N194 C213 A214 D228	A188-R191 PolarHBondContact O-N 3.15Å; R191-H193 PolarHBondContact O-N 2.85Å; R191-N194 WeakPolarHBondContact O-CA 3.37Å; R191-N194 PolarHBondContact O-N 3.35Å; R191-C213 PolarHBondContact NH1-SG 2.89Å; R191-A214 PolarHBondContact NH1-O 3.11Å; R191-D228 IonicContact CZ-OD1 3.51Å; R191-D228 IonicContact CZ-OD2 3.21Å; R191-D228 IonicContact NE-OD1 2.63Å; R191-D228 IonicContact NE-OD2 2.64Å; R191-D228 PolarHBondContact NE-OD2 3.05Å; R191-D228 IonicContact NH2-OD1 2.73Å; R191-D228 PolarHBondContact NH2-OD1 3.45Å; R191-D228 IonicContact NH2-OD2 2.83Å; R191-D228 PolarHBondContact NH2-OD2 2.91Å
192	S	94.8	Very high	96.2	Very high	24 Å²	24	38.7 Å²	38.7	17%	0.168	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-56	132.5	178.7	179.6	0	0	0	0	110.8	N194 R195 A214 Q215 C217	S192-N194 PolarHBondContact O-N 2.83Å; S192-N194 VanDerWaalsContact O-N 3.1Å; S192-R195 PolarHBondContact O-N 2.99Å; S192-A214 WeakPolarHBondContact O-CB 3.3Å; S192-Q215 PolarHBondContact N-O 2.78Å; S192-C217 PolarHBondContact N-SG 2.64Å
193	H	95.6	Very high	95.9	Very high	131 Å²	131	35 Å²	35	61%	0.606	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	53.7	25.5	-173.7	-55.6	88.6	0	0	0	114.1	R191 R195	R191-H193 PolarHBondContact O-N 2.85Å; H193-R195 HydrophobicContact CB-CG 4.45Å; H193-R195 PolarHBondContact O-N 3.05Å; H193-R195 VanDerWaalsContact O-N 3.09Å
194	N	96.8	Very high	95.5	Very high	67 Å²	67	40.1 Å²	40.1	36%	0.358	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	57.1	19.7	-177.1	-57.4	-24	0	0	0	115	I165 C166 A188 R191 S192 F196	I165-N194 WeakPolarHBondContact O-CB 3.42Å; I165-N194 PolarHBondContact O-ND2 3.41Å; I165-N194 VanDerWaalsContact O-ND2 3.1Å; C166-N194 HydrophobicContact CB-CB 4.29Å; C166-N194 WeakPolarHBondContact CB-O 3.43Å; A188-N194 HydrophobicContact CB-CB 4.19Å; A188-N194 WeakPolarHBondContact O-CA 3.41Å; A188-N194 PolarHBondContact O-OD1 2.97Å; R191-N194 WeakPolarHBondContact O-CA 3.37Å; R191-N194 PolarHBondContact O-N 3.35Å; S192-N194 PolarHBondContact O-N 2.83Å; S192-N194 VanDerWaalsContact O-N 3.1Å; N194-F196 WeakPolarHBondContact O-CD1 3.45Å; N194-F196 PolarHBondContact O-N 2.81Å
195	R	96.4	Very high	95.1	Very high	45 Å²	45	46.8 Å²	46.8	17%	0.17	24%	0.242	C	C	.	.			trans	-75.2	80	177.7	-70.2	179.7	179.7	152.4	3.3	110.1	T168 Y169 S192 H193 C213 A214	T168-R195 PolarHBondContact OG1-NE 3.45Å; T168-R195 PolarHBondContact OG1-NH2 2.82Å; Y169-R195 HydrophobicContact CD1-CB 4.42Å; Y169-R195 HydrophobicContact CD1-CG 3.99Å; Y169-R195 HydrophobicContact CE1-CB 3.67Å; Y169-R195 HydrophobicContact CE1-CG 3.62Å; Y169-R195 HydrophobicContact CE2-CB 4.32Å; S192-R195 PolarHBondContact O-N 2.99Å; H193-R195 HydrophobicContact CB-CG 4.45Å; H193-R195 PolarHBondContact O-N 3.05Å; H193-R195 VanDerWaalsContact O-N 3.09Å; R195-C213 WeakPolarHBondContact O-CA 3.29Å; R195-C213 WeakPolarHBondContact O-CB 3.24Å; R195-A214 HydrophobicContact CB-CB 3.62Å; R195-A214 HydrophobicContact CG-CB 4.41Å; R195-A214 PolarHBondContact O-N 2.95Å
196	F	95.8	Very high	94.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.			trans	-67.2	168	-176.1	61.1	-95.6	0	0	0	113.5	I165 Y169 H173 I184 M187 A188 N194 T198	I165-F196 HydrophobicContact CB-CE1 4.42Å; I165-F196 HydrophobicContact CG2-CD1 3.78Å; I165-F196 HydrophobicContact CG2-CE1 3.73Å; Y169-F196 HydrophobicContact CD2-CD1 4.06Å; Y169-F196 AromaticContact CD2-CE1 3.77Å; Y169-F196 HydrophobicContact CD2-CE1 3.77Å; Y169-F196 HydrophobicContact CD2-CE2 4.43Å; Y169-F196 AromaticContact CD2-CZ 3.97Å; Y169-F196 HydrophobicContact CD2-CZ 3.97Å; Y169-F196 HydrophobicContact CE2-CD1 4.15Å; Y169-F196 HydrophobicContact CE2-CD2 4.32Å; Y169-F196 HydrophobicContact CE2-CE1 4.25Å; Y169-F196 HydrophobicContact CE2-CE2 4.42Å; Y169-F196 HydrophobicContact CE2-CG 4.18Å; Y169-F196 HydrophobicContact CE2-CZ 4.39Å; Y169-F196 WeakPolarHBondContact CE2-O 3.29Å; Y169-F196 PolarHBondContact OH-O 3.01Å; H173-F196 HydrophobicContact CB-CE2 4.21Å; H173-F196 AromaticContact CD2-CZ 3.51Å; H173-F196 AromaticContact CE1-CZ 3.69Å; H173-F196 AromaticContact CG-CE2 3.71Å; H173-F196 AromaticContact CG-CZ 3.69Å; H173-F196 AromaticContact ND1-CE2 3.71Å; H173-F196 AromaticContact ND1-CZ 3.8Å; H173-F196 AromaticContact NE2-CZ 3.48Å; H173-F196 WeakPolarHBondContact NE2-CZ 3.38Å; I184-F196 HydrophobicContact CG2-CD1 4.22Å; I184-F196 HydrophobicContact CG2-CD2 3.76Å; I184-F196 HydrophobicContact CG2-CE1 4.2Å; I184-F196 HydrophobicContact CG2-CE2 3.73Å; I184-F196 HydrophobicContact CG2-CG 4.01Å; I184-F196 HydrophobicContact CG2-CZ 3.96Å; M187-F196 HydrophobicContact CE-CB 3.69Å; M187-F196 HydrophobicContact CE-CD2 3.91Å; M187-F196 HydrophobicContact CE-CG 4.19Å; M187-F196 HydrophobicContact CG-CB 4.43Å; A188-F196 HydrophobicContact CB-CB 3.9Å; A188-F196 HydrophobicContact CB-CD1 3.88Å; A188-F196 HydrophobicContact CB-CG 4.28Å; N194-F196 WeakPolarHBondContact O-CD1 3.45Å; N194-F196 PolarHBondContact O-N 2.81Å; F196-T198 PolarHBondContact O-N 3.06Å
197	L	95.8	Very high	94.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.			trans	-65.8	123.7	177.2	-65.4	166.4	0	0	0	111.2	M187 L211 C213 D228 F231 L232 F255	M187-L197 HydrophobicContact CE-CB 4.06Å; M187-L197 HydrophobicContact SD-CB 3.8Å; M187-L197 HydrophobicContact SD-CD1 3.77Å; M187-L197 HydrophobicContact SD-CG 4.01Å; L197-L211 HydrophobicContact CD2-CD1 4.23Å; L197-C213 HydrophobicContact CD2-CB 3.63Å; L197-C213 WeakPolarHBondContact CD2-SG 3.5Å; L197-C213 HydrophobicContact CG-CB 4.2Å; L197-D228 VanDerWaalsContact CD1-OD2 3.31Å; L197-D228 WeakPolarHBondContact CD1-OD2 3.46Å; L197-F231 HydrophobicContact CB-CD1 3.63Å; L197-F231 HydrophobicContact CB-CE1 3.49Å; L197-F231 VanDerWaalsContact CB-CE1 3.49Å; L197-F231 HydrophobicContact CB-CG 4.3Å; L197-F231 HydrophobicContact CB-CZ 4.06Å; L197-F231 HydrophobicContact CD1-CB 4.29Å; L197-F231 HydrophobicContact CD1-CD1 3.67Å; L197-F231 HydrophobicContact CD1-CE1 4.36Å; L197-F231 HydrophobicContact CD1-CG 4.21Å; L197-F231 HydrophobicContact CG-CD1 4.29Å; L197-F231 VanDerWaalsContact O-CZ 3.31Å; L197-F231 WeakPolarHBondContact O-CZ 3.5Å; L197-L232 HydrophobicContact CD1-CD2 3.78Å; L197-L232 HydrophobicContact CD1-CG 3.86Å; L197-L232 HydrophobicContact CD2-CD2 4.45Å; L197-F255 HydrophobicContact CD2-CD1 4.09Å; L197-F255 HydrophobicContact CD2-CE1 3.55Å
198	T	95.4	Very high	93.8	Very high	13 Å²	13	45.8 Å²	45.8	8%	0.08	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.1	174.4	-174.5	0	0	0	0	110.3	Y169 H173 F196 V200 L211 R212	Y169-T198 HydrophobicContact CE2-CG2 4.24Å; H173-T198 WeakPolarHBondContact ND1-CB 3.34Å; H173-T198 PolarHBondContact ND1-OG1 2.88Å; F196-T198 PolarHBondContact O-N 3.06Å; T198-V200 HydrophobicContact CG2-CG1 4.26Å; T198-L211 WeakPolarHBondContact O-CA 3.31Å; T198-R212 PolarHBondContact N-O 3Å; T198-R212 PolarHBondContact O-N 3.24Å
199	V	95.4	Very high	93.6	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.03	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	135.2	170.4	-177.8	0	0	0	0	109.3	F150 W154 I174 V209 L211	F150-V199 HydrophobicContact CE1-CG1 3.93Å; F150-V199 HydrophobicContact CZ-CG1 3.56Å; W154-V199 HydrophobicContact CE3-CG2 4.07Å; W154-V199 HydrophobicContact CH2-CG2 3.98Å; W154-V199 HydrophobicContact CZ3-CG2 3.37Å; I174-V199 HydrophobicContact CB-CB 4.08Å; I174-V199 HydrophobicContact CG2-CB 4.04Å; I174-V199 HydrophobicContact CG2-CG1 4.49Å; I174-V199 WeakPolarHBondContact O-CB 3.41Å; I174-V199 PolarHBondContact O-N 2.8Å; V199-V209 HydrophobicContact CG1-CB 3.96Å; V199-V209 HydrophobicContact CG1-CG1 4.22Å; V199-V209 HydrophobicContact CG2-CB 4.44Å; V199-V209 HydrophobicContact CG2-CG2 4.38Å; V199-L211 HydrophobicContact CB-CD2 4.24Å; V199-L211 HydrophobicContact CG2-CD2 3.53Å
200	V	95.2	Very high	93.5	Very high	50 Å²	50	44.6 Å²	44.6	30%	0.303	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-19.4	175.6	-59.9	0	0	0	0	113.3	T198 L210 R212	T198-V200 HydrophobicContact CG2-CG1 4.26Å; V200-L210 HydrophobicContact CG2-CB 4.07Å; V200-L210 HydrophobicContact CG2-CD2 3.83Å; V200-L210 HydrophobicContact CG2-CG 3.76Å; V200-L210 PolarHBondContact N-O 3.14Å; V200-R212 HydrophobicContact CB-CG 4.47Å; V200-R212 HydrophobicContact CG1-CB 4.04Å; V200-R212 HydrophobicContact CG1-CG 3.83Å; V200-R212 HydrophobicContact CG2-CG 3.81Å
201	W	95.1	Very high	93.4	Very high	120 Å²	120	43.5 Å²	43.5	46%	0.455	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	149.8	178.5	-173.2	87.1	0	0	0	111.4	M148 S203 V209 L210	M148-W201 VanDerWaalsContact SD-CA 3.53Å; M148-W201 HydrophobicContact SD-CB 4.43Å; M148-W201 HydrophobicContact SD-CG 4.4Å; W201-S203 VanDerWaalsContact CH2-CB 3.48Å; W201-V209 CarbonylContact O-C 3.59Å; W201-V209 VanDerWaalsContact O-CA 3.29Å; W201-V209 WeakPolarHBondContact O-CA 3.47Å; W201-L210 HydrophobicContact CB-CB 3.99Å; W201-L210 HydrophobicContact CB-CD2 4.46Å; W201-L210 PolarHBondContact O-N 3.21Å
202	R	92.7	Very high	93.4	Very high	18 Å²	18	48.8 Å²	48.8	7%	0.068	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.5	171.3	179	173.4	180	-88.7	12.5	110.9	M148 N149 F150 D151 Q204 A208 V209	M148-R202 HydrophobicContact CB-CB 4.39Å; M148-R202 PolarHBondContact O-NH1 2.98Å; N149-R202 PolarHBondContact O-NH1 2.89Å; F150-R202 HydrophobicContact CD1-CB 4.46Å; F150-R202 HydrophobicContact CE1-CB 3.75Å; F150-R202 HydrophobicContact CE1-CG 4.24Å; F150-R202 HydrophobicContact CE2-CB 4.03Å; F150-R202 HydrophobicContact CZ-CB 3.49Å; F150-R202 VanDerWaalsContact CZ-CB 3.49Å; F150-R202 HydrophobicContact CZ-CG 4.44Å; D151-R202 IonicContact OD2-NH2 3.56Å; R202-Q204 PolarHBondContact O-N 3.49Å; R202-A208 WeakPolarHBondContact CA-O 3.33Å; R202-V209 HydrophobicContact CB-CG1 4.03Å; R202-V209 HydrophobicContact CG-CG1 3.95Å
203	S	91.4	Very high	93.4	Very high	16 Å²	16	47.7 Å²	47.7	11%	0.112	24%	0.24	C	C	.	.			trans	-70.5	121.9	170.7	177	0	0	0	0	109.8	W201 V205 T206 G207 A208	W201-S203 VanDerWaalsContact CH2-CB 3.48Å; S203-V205 PolarHBondContact O-N 3.21Å; S203-V205 PolarHBondContact OG-N 2.92Å; S203-T206 WeakPolarHBondContact CB-OG1 3.24Å; S203-T206 PolarHBondContact OG-N 3.05Å; S203-T206 VanDerWaalsContact OG-N 3.11Å; S203-T206 PolarHBondContact OG-OG1 3.2Å; S203-G207 WeakPolarHBondContact O-CA 3.46Å; S203-G207 PolarHBondContact O-N 2.97Å; S203-A208 PolarHBondContact N-O 3.1Å
204	Q	90.9	Very high	93.3	Very high	118 Å²	118	41.6 Å²	41.6	55%	0.551	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-22.7	173.5	-64	-179.8	11.7	0	0	112.5	R147 N149 R202	R147-Q204 PolarHBondContact O-NE2 3.33Å; N149-Q204 HydrophobicContact CB-CG 4.22Å; R202-Q204 PolarHBondContact O-N 3.49Å
205	V	88.6	Confident	93.1	Very high	140 Å²	140	44 Å²	44	85%	0.848	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-50	-177.2	-179.5	0	0	0	0	111.3	S203	S203-V205 PolarHBondContact O-N 3.21Å; S203-V205 PolarHBondContact OG-N 2.92Å
206	T	87.5	Confident	92.9	Very high	77 Å²	77	43.3 Å²	43.3	47%	0.472	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-17.5	-174.5	61.9	0	0	0	0	113	S203 A208	S203-T206 WeakPolarHBondContact CB-OG1 3.24Å; S203-T206 PolarHBondContact OG-N 3.05Å; S203-T206 VanDerWaalsContact OG-N 3.11Å; S203-T206 PolarHBondContact OG-OG1 3.2Å; T206-A208 PolarHBondContact O-N 3.38Å; T206-A208 WeakPolarHBondContact OG1-CB 3.33Å; T206-A208 PolarHBondContact OG1-N 3.06Å
207	G	88.4	Confident	92.8	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.021	24%	0.244	C	C	.	.			trans	68.2	6.6	-172.2	0	0	0	0	0	114.8	S203 P240	S203-G207 WeakPolarHBondContact O-CA 3.46Å; S203-G207 PolarHBondContact O-N 2.97Å; G207-P240 WeakPolarHBondContact O-CD 3.46Å
208	A	90	Very high	92.6	Very high	27 Å²	27	49.3 Å²	49.3	22%	0.223	26%	0.261	C	S	.	.			trans	-63.2	146.3	170	0	0	0	0	0	110.6	R202 S203 T206	R202-A208 WeakPolarHBondContact CA-O 3.33Å; S203-A208 PolarHBondContact N-O 3.1Å; T206-A208 PolarHBondContact O-N 3.38Å; T206-A208 WeakPolarHBondContact OG1-CB 3.33Å; T206-A208 PolarHBondContact OG1-N 3.06Å
209	V	92	Very high	92.4	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.024	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	148.6	-178.3	-57.7	0	0	0	0	112.1	F150 W154 V199 W201 R202 L211 V235	F150-V209 HydrophobicContact CE1-CG1 4.41Å; W154-V209 HydrophobicContact CH2-CG1 3.85Å; W154-V209 HydrophobicContact CH2-CG2 4.06Å; W154-V209 HydrophobicContact CZ2-CG1 3.74Å; V199-V209 HydrophobicContact CG1-CB 3.96Å; V199-V209 HydrophobicContact CG1-CG1 4.22Å; V199-V209 HydrophobicContact CG2-CB 4.44Å; V199-V209 HydrophobicContact CG2-CG2 4.38Å; W201-V209 CarbonylContact O-C 3.59Å; W201-V209 VanDerWaalsContact O-CA 3.29Å; W201-V209 WeakPolarHBondContact O-CA 3.47Å; R202-V209 HydrophobicContact CB-CG1 4.03Å; R202-V209 HydrophobicContact CG-CG1 3.95Å; V209-L211 HydrophobicContact CG2-CD2 4.37Å; V209-V235 HydrophobicContact CG2-CG1 3.45Å; V209-V235 VanDerWaalsContact CG2-CG1 3.45Å
210	L	93.5	Very high	92	Very high	50 Å²	50	59.5 Å²	59.5	26%	0.262	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.4	169.1	-177.7	61.7	0	0	0	109.2	V200 W201 V254 V256	V200-L210 HydrophobicContact CG2-CB 4.07Å; V200-L210 HydrophobicContact CG2-CD2 3.83Å; V200-L210 HydrophobicContact CG2-CG 3.76Å; V200-L210 PolarHBondContact N-O 3.14Å; W201-L210 HydrophobicContact CB-CB 3.99Å; W201-L210 HydrophobicContact CB-CD2 4.46Å; W201-L210 PolarHBondContact O-N 3.21Å; L210-V254 HydrophobicContact CD1-CB 3.62Å; L210-V254 HydrophobicContact CD1-CG1 4.19Å; L210-V254 WeakPolarHBondContact CD1-O 3.27Å; L210-V256 HydrophobicContact CD1-CG2 4.48Å
211	L	95.2	Very high	91.7	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	148.8	174.5	-63.5	-176.1	0	0	0	110.9	L197 T198 V199 V209 F231 L232 V235 V253	L197-L211 HydrophobicContact CD2-CD1 4.23Å; T198-L211 WeakPolarHBondContact O-CA 3.31Å; V199-L211 HydrophobicContact CB-CD2 4.24Å; V199-L211 HydrophobicContact CG2-CD2 3.53Å; V209-L211 HydrophobicContact CG2-CD2 4.37Å; L211-F231 HydrophobicContact CD1-CE1 4.25Å; L211-F231 HydrophobicContact CD2-CE1 4.2Å; L211-L232 HydrophobicContact CD1-CD2 3.84Å; L211-V235 HydrophobicContact CD1-CG1 4.27Å; L211-V235 HydrophobicContact CD1-CG2 4.32Å; L211-V235 HydrophobicContact CD2-CG2 4.35Å; L211-V253 HydrophobicContact CB-CG1 4.19Å; L211-V253 HydrophobicContact CD1-CG1 3.53Å; L211-V253 HydrophobicContact CG-CG1 3.94Å
212	R	94.3	Very high	91.5	Very high	117 Å²	117	64.2 Å²	64.2	44%	0.442	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.4	164.4	-64.2	-156	-56.9	167.4	-2.3	111.1	T198 V200 V256	T198-R212 PolarHBondContact N-O 3Å; T198-R212 PolarHBondContact O-N 3.24Å; V200-R212 HydrophobicContact CB-CG 4.47Å; V200-R212 HydrophobicContact CG1-CB 4.04Å; V200-R212 HydrophobicContact CG1-CG 3.83Å; V200-R212 HydrophobicContact CG2-CG 3.81Å; R212-V256 HydrophobicContact CG-CB 4.23Å
213	C	94.4	Very high	91.4	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.014	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	170.7	176.7	59.5	0	0	0	0	110.4	Y169 R191 R195 L197 F255	Y169-C213 WeakPolarHBondContact OH-CA 3.43Å; R191-C213 PolarHBondContact NH1-SG 2.89Å; R195-C213 WeakPolarHBondContact O-CA 3.29Å; R195-C213 WeakPolarHBondContact O-CB 3.24Å; L197-C213 HydrophobicContact CD2-CB 3.63Å; L197-C213 WeakPolarHBondContact CD2-SG 3.5Å; L197-C213 HydrophobicContact CG-CB 4.2Å; C213-F255 VanDerWaalsContact SG-CD1 3.59Å
214	A	94	Very high	91.6	Very high	3 Å²	3	74.5 Å²	74.5	3%	0.025	41%	0.409	C	S	.	.			trans	-84.1	175.1	162	0	0	0	0	0	112.3	R191 S192 R195	R191-A214 PolarHBondContact NH1-O 3.11Å; S192-A214 WeakPolarHBondContact O-CB 3.3Å; R195-A214 HydrophobicContact CB-CB 3.62Å; R195-A214 HydrophobicContact CG-CB 4.41Å; R195-A214 PolarHBondContact O-N 2.95Å
215	Q	92.7	Very high	91.8	Very high	117 Å²	117	70.1 Å²	70.1	55%	0.547	39%	0.389	S	S	.	.			trans	-58.3	140	174.4	64.4	-177.7	-35	0	0	112.3	S192 Y257	S192-Q215 PolarHBondContact N-O 2.78Å; Q215-Y257 HydrophobicContact CB-CD1 4.13Å; Q215-Y257 HydrophobicContact CB-CE1 4.12Å
216	P	93.4	Very high	92.2	Very high	31 Å²	31	69.7 Å²	69.7	20%	0.201	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-69.2	139.6	171.5	30.4	-33.7	0	0	0	110.5	F190 V218	F190-P216 HydrophobicContact CD1-CB 4.12Å; F190-P216 HydrophobicContact CE1-CB 3.53Å; F190-P216 HydrophobicContact CZ-CB 3.99Å; F190-P216 CarbonylContact O-C 3.52Å; F190-P216 WeakPolarHBondContact O-CA 3.16Å; P216-V218 HydrophobicContact CB-CG1 3.98Å; P216-V218 HydrophobicContact CG-CG1 3.95Å; P216-V218 PolarHBondContact O-N 2.8Å
217	C	93.2	Very high	92.6	Very high	66 Å²	66	68.9 Å²	68.9	45%	0.446	37%	0.366	S	S	.	.			trans	-79.5	56.2	178.6	-64.4	0	0	0	0	111	F190 S192 G219	F190-C217 HydrophobicContact CD2-CB 4.47Å; F190-C217 WeakPolarHBondContact CE2-O 3.39Å; F190-C217 WeakPolarHBondContact O-CB 3.43Å; F190-C217 PolarHBondContact O-N 2.85Å; S192-C217 PolarHBondContact N-SG 2.64Å; C217-G219 VanDerWaalsContact C-N 3.26Å; C217-G219 PolarHBondContact O-N 3.43Å
218	V	92.4	Very high	93	Very high	59 Å²	59	69.3 Å²	69.3	36%	0.358	37%	0.368	S	S	.	.			trans	-66.1	-28.9	-177.7	-62.2	0	0	0	0	112.6	F190 P216 C222 S223	F190-V218 HydrophobicContact CZ-CG1 3.9Å; P216-V218 HydrophobicContact CB-CG1 3.98Å; P216-V218 HydrophobicContact CG-CG1 3.95Å; P216-V218 PolarHBondContact O-N 2.8Å; V218-C222 PolarHBondContact O-N 3.49Å; V218-S223 WeakPolarHBondContact O-CB 3.33Å; V218-S223 PolarHBondContact O-N 3.11Å; V218-S223 PolarHBondContact O-OG 3.15Å
219	G	89.6	Confident	93.2	Very high	56 Å²	56	70 Å²	70	58%	0.577	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	-167.1	-175.9	0	0	0	0	0	113.5	C217 M221 C222	C217-G219 VanDerWaalsContact C-N 3.26Å; C217-G219 PolarHBondContact O-N 3.43Å; G219-M221 PolarHBondContact O-N 3.34Å; G219-C222 PolarHBondContact O-N 3.04Å
220	L	88.5	Confident	93.4	Very high	177 Å²	177	73.6 Å²	73.6	93%	0.927	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.8	177.9	-64.9	173.4	0	0	0	113.1	C222	L220-C222 VanDerWaalsContact C-N 3.29Å; L220-C222 PolarHBondContact O-N 3.1Å
221	M	88.7	Confident	93.6	Very high	169 Å²	169	71.3 Å²	71.3	83%	0.833	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	3.8	-177.6	-62.5	-60	-179.4	0	0	113.4	G219 S223	G219-M221 PolarHBondContact O-N 3.34Å; M221-S223 PolarHBondContact O-N 3.01Å
222	C	90.3	Very high	93.5	Very high	100 Å²	100	73.2 Å²	73.2	68%	0.676	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.3	-176.5	-63.8	0	0	0	0	112.5	V218 G219 L220	V218-C222 PolarHBondContact O-N 3.49Å; G219-C222 PolarHBondContact O-N 3.04Å; L220-C222 VanDerWaalsContact C-N 3.29Å; L220-C222 PolarHBondContact O-N 3.1Å
223	S	90.8	Very high	93.5	Very high	61 Å²	61	74.4 Å²	74.4	43%	0.427	39%	0.385	S	S	.	.			trans	-55.4	146.8	-178.8	-64.1	0	0	0	0	111.2	F190 V218 M221	F190-S223 VanDerWaalsContact CZ-O 3.29Å; F190-S223 WeakPolarHBondContact CZ-O 3.26Å; V218-S223 WeakPolarHBondContact O-CB 3.33Å; V218-S223 PolarHBondContact O-N 3.11Å; V218-S223 PolarHBondContact O-OG 3.15Å; M221-S223 PolarHBondContact O-N 3.01Å
224	R	94.6	Very high	93.5	Very high	189 Å²	189	75.4 Å²	75.4	71%	0.713	39%	0.391	S	S	*	.			trans	-120.7	152.2	178.6	-64.5	174.1	64	-171.8	-3.6	109.4	E229	R224-E229 IonicContact CZ-OE1 3.13Å; R224-E229 IonicContact CZ-OE2 3.91Å; R224-E229 IonicContact NE-OE1 2.69Å; R224-E229 PolarHBondContact NE-OE1 2.69Å; R224-E229 IonicContact NH2-OE1 2.78Å; R224-E229 PolarHBondContact NH2-OE1 3.12Å; R224-E229 IonicContact NH2-OE2 2.9Å; R224-E229 PolarHBondContact NH2-OE2 3.08Å
225	N	95.1	Very high	93.5	Very high	25 Å²	25	75.3 Å²	75.3	13%	0.134	39%	0.39	C	S	.	.			trans	-125.7	121.1	176.7	179.5	-77.8	0	0	0	109.5	N186 F190 Y227 D228 E229	N186-N225 PolarHBondContact O-ND2 3.36Å; F190-N225 HydrophobicContact CB-CB 3.74Å; F190-N225 HydrophobicContact CD1-CB 3.28Å; F190-N225 HydrophobicContact CD2-CB 3.89Å; F190-N225 HydrophobicContact CE1-CB 3.74Å; F190-N225 HydrophobicContact CE2-CB 4.31Å; F190-N225 HydrophobicContact CG-CB 3.34Å; F190-N225 HydrophobicContact CZ-CB 4.24Å; N225-Y227 VanDerWaalsContact C-N 3.28Å; N225-Y227 PolarHBondContact O-N 2.78Å; N225-Y227 WeakPolarHBondContact OD1-CA 3.39Å; N225-Y227 VanDerWaalsContact OD1-CB 3.3Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.17Å; N225-Y227 PolarHBondContact OD1-N 3.16Å; N225-D228 HydrophobicContact CB-CB 4Å; N225-D228 PolarHBondContact O-N 3.16Å; N225-D228 PolarHBondContact OD1-N 3.04Å; N225-E229 WeakPolarHBondContact O-CG 3.42Å; N225-E229 PolarHBondContact O-N 2.88Å; N225-E229 VanDerWaalsContact O-N 3.1Å
226	E	97.2	Very high	93.4	Very high	131 Å²	131	73.4 Å²	73.4	61%	0.612	38%	0.383	S	S	*	.	H	α-helix	trans	-65.3	-30.7	-175.7	63.7	-179.7	171.4	0	0	113.1	K230	E226-K230 WeakPolarHBondContact O-CB 3.3Å; E226-K230 PolarHBondContact O-N 2.97Å
227	Y	97.5	Very high	93.3	Very high	60 Å²	60	75.7 Å²	75.7	24%	0.235	41%	0.405	C	S	.	.	H	α-helix	trans	-72.7	-40.3	179.1	-57.4	-82.7	0	0	0	111.5	D183 N186 N225 K230 F231	D183-Y227 HydrophobicContact CB-CD1 4.11Å; D183-Y227 VanDerWaalsContact OD1-CD1 3.3Å; D183-Y227 WeakPolarHBondContact OD1-CD1 3.21Å; N186-Y227 HydrophobicContact CB-CD1 4.11Å; N186-Y227 HydrophobicContact CB-CD2 3.34Å; N186-Y227 HydrophobicContact CB-CE1 4.25Å; N186-Y227 HydrophobicContact CB-CE2 3.5Å; N186-Y227 VanDerWaalsContact CB-CE2 3.5Å; N186-Y227 HydrophobicContact CB-CG 3.65Å; N225-Y227 VanDerWaalsContact C-N 3.28Å; N225-Y227 PolarHBondContact O-N 2.78Å; N225-Y227 WeakPolarHBondContact OD1-CA 3.39Å; N225-Y227 VanDerWaalsContact OD1-CB 3.3Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.17Å; N225-Y227 PolarHBondContact OD1-N 3.16Å; Y227-K230 PolarHBondContact O-N 3.38Å; Y227-F231 WeakPolarHBondContact O-CB 3.5Å; Y227-F231 PolarHBondContact O-N 3.29Å
228	D	94.8	Very high	93.2	Very high	12 Å²	12	73.4 Å²	73.4	6%	0.064	39%	0.389	C	S	.	.	H	α-helix	trans	-61.2	-46.7	173.2	-163.1	-113	0	0	0	110.7	M187 F190 R191 L197 N225 F231 L232	M187-D228 HydrophobicContact CG-CB 4.18Å; M187-D228 WeakPolarHBondContact CG-OD2 3.44Å; F190-D228 HydrophobicContact CD1-CB 4.13Å; R191-D228 IonicContact CZ-OD1 3.51Å; R191-D228 IonicContact CZ-OD2 3.21Å; R191-D228 IonicContact NE-OD1 2.63Å; R191-D228 IonicContact NE-OD2 2.64Å; R191-D228 PolarHBondContact NE-OD2 3.05Å; R191-D228 IonicContact NH2-OD1 2.73Å; R191-D228 PolarHBondContact NH2-OD1 3.45Å; R191-D228 IonicContact NH2-OD2 2.83Å; R191-D228 PolarHBondContact NH2-OD2 2.91Å; L197-D228 VanDerWaalsContact CD1-OD2 3.31Å; L197-D228 WeakPolarHBondContact CD1-OD2 3.46Å; N225-D228 HydrophobicContact CB-CB 4Å; N225-D228 PolarHBondContact O-N 3.16Å; N225-D228 PolarHBondContact OD1-N 3.04Å; D228-F231 WeakPolarHBondContact O-CB 3.26Å; D228-F231 PolarHBondContact O-N 3.33Å; D228-L232 WeakPolarHBondContact O-CG 3.38Å; D228-L232 PolarHBondContact O-N 3.02Å; D228-L232 VanDerWaalsContact O-N 3.12Å
229	E	95.3	Very high	93	Very high	40 Å²	40	70.8 Å²	70.8	19%	0.187	37%	0.373	C	S	.	.	H	α-helix	trans	-68	-39	176.1	-64.6	-179.7	-169.9	0	0	112.9	R224 N225 F231 L232 R233	R224-E229 IonicContact CZ-OE1 3.13Å; R224-E229 IonicContact CZ-OE2 3.91Å; R224-E229 IonicContact NE-OE1 2.69Å; R224-E229 PolarHBondContact NE-OE1 2.69Å; R224-E229 IonicContact NH2-OE1 2.78Å; R224-E229 PolarHBondContact NH2-OE1 3.12Å; R224-E229 IonicContact NH2-OE2 2.9Å; R224-E229 PolarHBondContact NH2-OE2 3.08Å; N225-E229 WeakPolarHBondContact O-CG 3.42Å; N225-E229 PolarHBondContact O-N 2.88Å; N225-E229 VanDerWaalsContact O-N 3.1Å; E229-F231 VanDerWaalsContact C-N 3.32Å; E229-L232 PolarHBondContact O-N 3.16Å; E229-R233 VanDerWaalsContact O-CG 3.31Å; E229-R233 WeakPolarHBondContact O-CG 3.33Å; E229-R233 PolarHBondContact O-N 2.96Å; E229-R233 IonicContact OE2-CZ 3.62Å; E229-R233 IonicContact OE2-NH1 3.68Å; E229-R233 IonicContact OE2-NH2 2.73Å; E229-R233 PolarHBondContact OE2-NH2 3.4Å
230	K	96.9	Very high	92.1	Very high	81 Å²	81	70.9 Å²	70.9	35%	0.352	36%	0.364	S	S	.	.	H	α-helix	trans	-60.9	-42.7	174.7	174.2	-177.1	171.3	-172.2	0	110.8	I179 D183 E226 Y227 R233 T234	I179-K230 HydrophobicContact CD1-CG 4.22Å; D183-K230 IonicContact OD1-NZ 3.61Å; D183-K230 PolarHBondContact OD1-NZ 3.12Å; D183-K230 IonicContact OD2-NZ 2.91Å; D183-K230 PolarHBondContact OD2-NZ 3.02Å; E226-K230 WeakPolarHBondContact O-CB 3.3Å; E226-K230 PolarHBondContact O-N 2.97Å; Y227-K230 PolarHBondContact O-N 3.38Å; K230-R233 PolarHBondContact O-N 2.79Å; K230-T234 WeakPolarHBondContact O-CB 3.26Å; K230-T234 PolarHBondContact O-N 2.87Å; K230-T234 PolarHBondContact O-OG1 3.27Å
231	F	96.3	Very high	90.6	Very high	2 Å²	2	72 Å²	72	1%	0.009	36%	0.361	C	S	.	.	H	α-helix	trans	-58.5	-51.1	175.8	-170.9	-81.4	0	0	0	110.7	V175 I179 M187 L197 L211 Y227 D228 E229 R233 T234 V235	V175-F231 HydrophobicContact CB-CE2 3.95Å; V175-F231 HydrophobicContact CB-CZ 4.28Å; V175-F231 HydrophobicContact CG1-CE2 3.81Å; V175-F231 HydrophobicContact CG1-CZ 4.05Å; I179-F231 HydrophobicContact CB-CD2 4.48Å; I179-F231 HydrophobicContact CD1-CB 4.45Å; I179-F231 HydrophobicContact CD1-CD2 4.27Å; I179-F231 HydrophobicContact CG1-CD2 3.93Å; I179-F231 HydrophobicContact CG1-CE2 4.39Å; I179-F231 HydrophobicContact CG2-CD2 3.94Å; I179-F231 HydrophobicContact CG2-CE2 4.25Å; M187-F231 HydrophobicContact CE-CD2 3.67Å; M187-F231 HydrophobicContact CE-CE2 3.92Å; M187-F231 HydrophobicContact CE-CG 4.14Å; M187-F231 HydrophobicContact SD-CB 3.63Å; M187-F231 HydrophobicContact SD-CD1 4.29Å; M187-F231 HydrophobicContact SD-CD2 3.76Å; M187-F231 HydrophobicContact SD-CE2 4.49Å; M187-F231 HydrophobicContact SD-CG 3.63Å; L197-F231 HydrophobicContact CB-CD1 3.63Å; L197-F231 HydrophobicContact CB-CE1 3.49Å; L197-F231 VanDerWaalsContact CB-CE1 3.49Å; L197-F231 HydrophobicContact CB-CG 4.3Å; L197-F231 HydrophobicContact CB-CZ 4.06Å; L197-F231 HydrophobicContact CD1-CB 4.29Å; L197-F231 HydrophobicContact CD1-CD1 3.67Å; L197-F231 HydrophobicContact CD1-CE1 4.36Å; L197-F231 HydrophobicContact CD1-CG 4.21Å; L197-F231 HydrophobicContact CG-CD1 4.29Å; L197-F231 VanDerWaalsContact O-CZ 3.31Å; L197-F231 WeakPolarHBondContact O-CZ 3.5Å; L211-F231 HydrophobicContact CD1-CE1 4.25Å; L211-F231 HydrophobicContact CD2-CE1 4.2Å; Y227-F231 WeakPolarHBondContact O-CB 3.5Å; Y227-F231 PolarHBondContact O-N 3.29Å; D228-F231 WeakPolarHBondContact O-CB 3.26Å; D228-F231 PolarHBondContact O-N 3.33Å; E229-F231 VanDerWaalsContact C-N 3.32Å; F231-R233 PolarHBondContact O-N 3.06Å; F231-T234 PolarHBondContact O-N 3.12Å; F231-T234 VanDerWaalsContact O-N 3.15Å; F231-V235 HydrophobicContact CD1-CG2 3.78Å; F231-V235 HydrophobicContact CE1-CG2 3.48Å; F231-V235 VanDerWaalsContact CE1-CG2 3.48Å; F231-V235 HydrophobicContact CZ-CG2 4.21Å; F231-V235 WeakPolarHBondContact O-CG2 3.43Å; F231-V235 PolarHBondContact O-N 3.19Å
232	L	94.2	Very high	89	Confident	40 Å²	40	72.6 Å²	72.6	21%	0.209	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-46.3	178.6	-68.2	173.2	0	0	0	112.2	L197 L211 D228 E229 T234 V235 L236 V253 F255	L197-L232 HydrophobicContact CD1-CD2 3.78Å; L197-L232 HydrophobicContact CD1-CG 3.86Å; L197-L232 HydrophobicContact CD2-CD2 4.45Å; L211-L232 HydrophobicContact CD1-CD2 3.84Å; D228-L232 WeakPolarHBondContact O-CG 3.38Å; D228-L232 PolarHBondContact O-N 3.02Å; D228-L232 VanDerWaalsContact O-N 3.12Å; E229-L232 PolarHBondContact O-N 3.16Å; L232-T234 VanDerWaalsContact C-N 3.27Å; L232-T234 PolarHBondContact O-N 2.93Å; L232-V235 PolarHBondContact O-N 3.21Å; L232-L236 VanDerWaalsContact O-CG 3.31Å; L232-L236 WeakPolarHBondContact O-CG 3.22Å; L232-L236 PolarHBondContact O-N 3.43Å; L232-V253 HydrophobicContact CD2-CG1 4.31Å; L232-F255 HydrophobicContact CD1-CZ 4.06Å; L232-F255 HydrophobicContact CD2-CE1 4Å; L232-F255 HydrophobicContact CD2-CZ 3.61Å
233	R	94.2	Very high	86.9	Confident	142 Å²	142	73.4 Å²	73.4	54%	0.536	36%	0.363	S	S	.	.	H	α-helix	trans	-58.7	-40.3	175.8	-71.4	178.8	-164.1	104.1	3.7	112	E229 K230 F231 L236 A237	E229-R233 VanDerWaalsContact O-CG 3.31Å; E229-R233 WeakPolarHBondContact O-CG 3.33Å; E229-R233 PolarHBondContact O-N 2.96Å; E229-R233 IonicContact OE2-CZ 3.62Å; E229-R233 IonicContact OE2-NH1 3.68Å; E229-R233 IonicContact OE2-NH2 2.73Å; E229-R233 PolarHBondContact OE2-NH2 3.4Å; K230-R233 PolarHBondContact O-N 2.79Å; F231-R233 PolarHBondContact O-N 3.06Å; R233-L236 PolarHBondContact O-N 3.04Å; R233-A237 PolarHBondContact O-N 3.08Å
234	T	95.1	Very high	84.8	Confident	23 Å²	23	78.4 Å²	78.4	14%	0.141	38%	0.377	C	S	.	.	H	α-helix	trans	-70.3	-42.3	-179.5	-55.8	0	0	0	0	111.3	P176 S178 I179 K230 F231 L232 L236 A237 C238	P176-T234 HydrophobicContact CB-CG2 3.41Å; P176-T234 VanDerWaalsContact CB-CG2 3.41Å; P176-T234 HydrophobicContact CG-CG2 3.83Å; S178-T234 WeakPolarHBondContact OG-CG2 3.27Å; I179-T234 HydrophobicContact CD1-CG2 4.35Å; I179-T234 HydrophobicContact CG1-CG2 4.2Å; K230-T234 WeakPolarHBondContact O-CB 3.26Å; K230-T234 PolarHBondContact O-N 2.87Å; K230-T234 PolarHBondContact O-OG1 3.27Å; F231-T234 PolarHBondContact O-N 3.12Å; F231-T234 VanDerWaalsContact O-N 3.15Å; L232-T234 VanDerWaalsContact C-N 3.27Å; L232-T234 PolarHBondContact O-N 2.93Å; T234-L236 VanDerWaalsContact C-N 3.3Å; T234-L236 PolarHBondContact O-N 2.83Å; T234-A237 WeakPolarHBondContact O-CB 3.27Å; T234-A237 PolarHBondContact O-N 2.79Å; T234-A237 VanDerWaalsContact O-N 3.1Å; T234-C238 PolarHBondContact O-N 3.46Å; T234-C238 PolarHBondContact O-SG 3.48Å; T234-C238 VanDerWaalsContact O-SG 3.38Å
235	V	93.9	Very high	82.4	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-56.5	-46.4	172.9	164.7	0	0	0	0	110.9	W154 P176 V209 L211 F231 L232 A237 C238 C239	W154-V235 HydrophobicContact CH2-CB 4.43Å; W154-V235 HydrophobicContact CH2-CG1 4.19Å; W154-V235 HydrophobicContact CH2-CG2 4.16Å; W154-V235 HydrophobicContact CZ3-CG2 4.32Å; P176-V235 HydrophobicContact CG-CG2 3.73Å; V209-V235 HydrophobicContact CG2-CG1 3.45Å; V209-V235 VanDerWaalsContact CG2-CG1 3.45Å; L211-V235 HydrophobicContact CD1-CG1 4.27Å; L211-V235 HydrophobicContact CD1-CG2 4.32Å; L211-V235 HydrophobicContact CD2-CG2 4.35Å; F231-V235 HydrophobicContact CD1-CG2 3.78Å; F231-V235 HydrophobicContact CE1-CG2 3.48Å; F231-V235 VanDerWaalsContact CE1-CG2 3.48Å; F231-V235 HydrophobicContact CZ-CG2 4.21Å; F231-V235 WeakPolarHBondContact O-CG2 3.43Å; F231-V235 PolarHBondContact O-N 3.19Å; L232-V235 PolarHBondContact O-N 3.21Å; V235-A237 VanDerWaalsContact C-N 3.26Å; V235-A237 PolarHBondContact O-N 3.37Å; V235-C238 PolarHBondContact O-N 3.18Å; V235-C239 PolarHBondContact O-N 3.44Å; V235-C239 VanDerWaalsContact O-N 3.08Å; V235-C239 PolarHBondContact O-SG 2.87Å
236	L	90.5	Very high	80.3	Confident	78 Å²	78	77.5 Å²	77.5	41%	0.408	40%	0.397	S	S	.	.	H	α-helix	trans	-61	-35.1	177	-68.8	172.9	0	0	0	112.4	L232 R233 T234 V251 V253	L232-L236 VanDerWaalsContact O-CG 3.31Å; L232-L236 WeakPolarHBondContact O-CG 3.22Å; L232-L236 PolarHBondContact O-N 3.43Å; R233-L236 PolarHBondContact O-N 3.04Å; T234-L236 VanDerWaalsContact C-N 3.3Å; T234-L236 PolarHBondContact O-N 2.83Å; L236-V251 HydrophobicContact CD2-CB 3.67Å; L236-V251 HydrophobicContact CD2-CG1 4.05Å; L236-V251 HydrophobicContact CD2-CG2 4.37Å; L236-V253 HydrophobicContact CD2-CG2 3.98Å
237	A	91.1	Very high	78	Confident	79 Å²	79	77.3 Å²	77.3	65%	0.653	41%	0.407	S	S	*	.	H	α-helix	trans	-74.3	-33.8	176.9	0	0	0	0	0	113.3	R233 T234 V235	R233-A237 PolarHBondContact O-N 3.08Å; T234-A237 WeakPolarHBondContact O-CB 3.27Å; T234-A237 PolarHBondContact O-N 2.79Å; T234-A237 VanDerWaalsContact O-N 3.1Å; V235-A237 VanDerWaalsContact C-N 3.26Å; V235-A237 PolarHBondContact O-N 3.37Å
238	C	91.2	Very high	75.5	Confident	18 Å²	18	81.3 Å²	81.3	12%	0.122	43%	0.433	C	S	.	.	H	α-helix	trans	-77.6	-19.7	177.8	-70	0	0	0	0	113.4	W154 T234 V235	W154-C238 HydrophobicContact CH2-CB 4.06Å; W154-C238 HydrophobicContact CZ2-CB 3.43Å; W154-C238 VanDerWaalsContact CZ2-CB 3.43Å; T234-C238 PolarHBondContact O-N 3.46Å; T234-C238 PolarHBondContact O-SG 3.48Å; T234-C238 VanDerWaalsContact O-SG 3.38Å; V235-C238 PolarHBondContact O-N 3.18Å
239	C	86.6	Confident	73.1	Confident	4 Å²	4	87.6 Å²	87.6	3%	0.027	46%	0.459	C	S	.	.	S	Bend	trans	-74.1	126.9	173.6	-66.9	0	0	0	0	109.8	V235 K241 V251	V235-C239 PolarHBondContact O-N 3.44Å; V235-C239 VanDerWaalsContact O-N 3.08Å; V235-C239 PolarHBondContact O-SG 2.87Å; C239-K241 PolarHBondContact O-N 3.36Å; C239-V251 HydrophobicContact CB-CG1 4.1Å; C239-V251 HydrophobicContact CB-CG2 3.82Å
240	P	72.5	Confident	70.6	Confident	58 Å²	58	88.1 Å²	88.1	38%	0.377	48%	0.476	S	S	.	.			trans	-56.8	132.1	178.3	-21.1	31.1	0	0	0	112.4	G207	G207-P240 WeakPolarHBondContact O-CD 3.46Å
241	K	57.1	Low	68.4	Low	201 Å²	201	86.4 Å²	86.4	87%	0.874	47%	0.472	S	S	*	.			trans	-90.1	93.6	167.1	-67	-176	179.7	-178.5	0	109.5	C239	C239-K241 PolarHBondContact O-N 3.36Å
242	K	54.8	Low	66.3	Low	181 Å²	181	92.7 Å²	92.7	79%	0.787	50%	0.504	S	S	*	.			trans	-153.5	151.7	169	-77.6	-164	178.3	179.8	0	112.4
243	P	46.1	Very low	64.2	Low	117 Å²	117	92.1 Å²	92.1	76%	0.76	50%	0.502	S	S	*	.	S	Bend		-116.1	82.3	-61.1	34.9	-17.5	0	0	0	107.6
244	F	46.5	Very low	62.2	Low	165 Å²	165	88.8 Å²	88.8	72%	0.724	50%	0.498	S	S	*	.			trans	-100.4	116.2	151.9	-73.8	-80.2	0	0	0	104.8	D246 K249	F244-D246 PolarHBondContact O-N 3.04Å; F244-K249 HydrophobicContact CB-CD 4.43Å
245	S	43.6	Very low	60.3	Low	133 Å²	133	91 Å²	91	93%	0.93	51%	0.505	S	S	*	.	S	Bend	trans	-61.7	24.4	-178.9	43.5	0	0	0	0	114.2
246	D	51.2	Low	58.4	Low	63 Å²	63	93.9 Å²	93.9	34%	0.337	52%	0.523	S	S	.	.			trans	-115.5	106.6	-178.7	-170.5	-5.6	0	0	0	109.7	F244 N248 K249	F244-D246 PolarHBondContact O-N 3.04Å; D246-N248 PolarHBondContact O-N 3.42Å; D246-N248 VanDerWaalsContact OD1-CB 3.27Å; D246-N248 WeakPolarHBondContact OD1-CB 3.45Å; D246-N248 PolarHBondContact OD1-N 3.48Å; D246-N248 PolarHBondContact OD1-ND2 2.93Å; D246-K249 HydrophobicContact CB-CD 4.49Å; D246-K249 HydrophobicContact CB-CG 4.21Å; D246-K249 PolarHBondContact O-N 2.9Å; D246-K249 VanDerWaalsContact O-N 3.08Å
247	P	49.2	Very low	56.4	Low	126 Å²	126	96 Å²	96	82%	0.818	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-11.3	175.1	24.1	-31.5	0	0	0	113.5
248	N	44.9	Very low	54.5	Low	144 Å²	144	95.3 Å²	95.3	77%	0.77	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.3	176.6	-60.4	-43.7	0	0	0	114.3	D246 G250	D246-N248 PolarHBondContact O-N 3.42Å; D246-N248 VanDerWaalsContact OD1-CB 3.27Å; D246-N248 WeakPolarHBondContact OD1-CB 3.45Å; D246-N248 PolarHBondContact OD1-N 3.48Å; D246-N248 PolarHBondContact OD1-ND2 2.93Å; N248-G250 PolarHBondContact O-N 2.74Å
249	K	44	Very low	52	Low	144 Å²	144	102.5 Å²	102.5	63%	0.626	56%	0.557	S	S	*	*			trans	-87.6	68.7	174.1	-69.6	-170.1	-178.9	-177.6	0	110.1	F244 D246	F244-K249 HydrophobicContact CB-CD 4.43Å; D246-K249 HydrophobicContact CB-CD 4.49Å; D246-K249 HydrophobicContact CB-CG 4.21Å; D246-K249 PolarHBondContact O-N 2.9Å; D246-K249 VanDerWaalsContact O-N 3.08Å
250	G	43.9	Very low	50.3	Low	52 Å²	52	107.5 Å²	107.5	54%	0.536	58%	0.584	S	S	.	*			trans	-58.6	148.6	176.1	0	0	0	0	0	112.2	N248 I252	N248-G250 PolarHBondContact O-N 2.74Å; G250-I252 PolarHBondContact O-N 3.07Å
251	V	50.2	Low	49.1	Very low	45 Å²	45	110.1 Å²	110.1	27%	0.273	60%	0.595	S	S	.	*			trans	-51.4	115.4	166.3	174.7	0	0	0	0	107.7	L236 C239 V253	L236-V251 HydrophobicContact CD2-CB 3.67Å; L236-V251 HydrophobicContact CD2-CG1 4.05Å; L236-V251 HydrophobicContact CD2-CG2 4.37Å; C239-V251 HydrophobicContact CB-CG1 4.1Å; C239-V251 HydrophobicContact CB-CG2 3.82Å; V251-V253 HydrophobicContact CG1-CG2 4.29Å; V251-V253 PolarHBondContact O-N 2.76Å
252	I	51.4	Low	48.7	Very low	133 Å²	133	105 Å²	105	68%	0.682	58%	0.579	S	S	*	*			trans	-75.3	96.1	177.8	-53.6	179	0	0	0	107.3	G250 V254	G250-I252 PolarHBondContact O-N 3.07Å; I252-V254 HydrophobicContact CB-CG2 4.5Å; I252-V254 HydrophobicContact CG2-CG2 3.41Å; I252-V254 VanDerWaalsContact CG2-CG2 3.41Å; I252-V254 PolarHBondContact O-N 3.33Å
253	V	51.3	Low	48.3	Very low	28 Å²	28	100.5 Å²	100.5	17%	0.17	57%	0.567	C	S	.	*			trans	-78.5	91.9	164.5	-179.5	0	0	0	0	106.7	L211 L232 L236 V251 F255	L211-V253 HydrophobicContact CB-CG1 4.19Å; L211-V253 HydrophobicContact CD1-CG1 3.53Å; L211-V253 HydrophobicContact CG-CG1 3.94Å; L232-V253 HydrophobicContact CD2-CG1 4.31Å; L236-V253 HydrophobicContact CD2-CG2 3.98Å; V251-V253 HydrophobicContact CG1-CG2 4.29Å; V251-V253 PolarHBondContact O-N 2.76Å; V253-F255 HydrophobicContact CG1-CD2 4.4Å; V253-F255 HydrophobicContact CG1-CE1 4.36Å; V253-F255 HydrophobicContact CG1-CE2 3.94Å; V253-F255 HydrophobicContact CG1-CZ 3.93Å; V253-F255 PolarHBondContact O-N 2.63Å
254	V	51.7	Low	48.5	Very low	73 Å²	73	99.5 Å²	99.5	44%	0.442	56%	0.555	S	S	.	*			trans	-76.2	117	173.2	-177.6	0	0	0	0	107.6	L210 I252 V256	L210-V254 HydrophobicContact CD1-CB 3.62Å; L210-V254 HydrophobicContact CD1-CG1 4.19Å; L210-V254 WeakPolarHBondContact CD1-O 3.27Å; I252-V254 HydrophobicContact CB-CG2 4.5Å; I252-V254 HydrophobicContact CG2-CG2 3.41Å; I252-V254 VanDerWaalsContact CG2-CG2 3.41Å; I252-V254 PolarHBondContact O-N 3.33Å; V254-V256 HydrophobicContact CG1-CG2 4.46Å
255	F	55	Low	48.6	Very low	68 Å²	68	95.1 Å²	95.1	30%	0.298	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116	168.2	-65.3	-86.7	0	0	0	108.6	L197 C213 L232 V253 Y257	L197-F255 HydrophobicContact CD2-CD1 4.09Å; L197-F255 HydrophobicContact CD2-CE1 3.55Å; C213-F255 VanDerWaalsContact SG-CD1 3.59Å; L232-F255 HydrophobicContact CD1-CZ 4.06Å; L232-F255 HydrophobicContact CD2-CE1 4Å; L232-F255 HydrophobicContact CD2-CZ 3.61Å; V253-F255 HydrophobicContact CG1-CD2 4.4Å; V253-F255 HydrophobicContact CG1-CE1 4.36Å; V253-F255 HydrophobicContact CG1-CE2 3.94Å; V253-F255 HydrophobicContact CG1-CZ 3.93Å; V253-F255 PolarHBondContact O-N 2.63Å; F255-Y257 HydrophobicContact CB-CE2 4.17Å
256	V	53.4	Low	49	Very low	62 Å²	62	92.4 Å²	92.4	38%	0.376	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	102.4	162.7	-173.1	0	0	0	0	107.1	L210 R212 V254 V258	L210-V256 HydrophobicContact CD1-CG2 4.48Å; R212-V256 HydrophobicContact CG-CB 4.23Å; V254-V256 HydrophobicContact CG1-CG2 4.46Å; V256-V258 PolarHBondContact O-N 3.29Å
257	Y	49.8	Very low	48.8	Very low	123 Å²	123	94.7 Å²	94.7	48%	0.482	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	117.4	170.7	-72.6	-68	0	0	0	109	Q215 F255	Q215-Y257 HydrophobicContact CB-CD1 4.13Å; Q215-Y257 HydrophobicContact CB-CE1 4.12Å; F255-Y257 HydrophobicContact CB-CE2 4.17Å
258	V	49.3	Very low	48.8	Very low	63 Å²	63	92.1 Å²	92.1	38%	0.382	51%	0.506	S	S	.	.			trans	-95.5	105.2	167.1	-173.1	0	0	0	0	106.5	V256	V256-V258 PolarHBondContact O-N 3.29Å
259	V	40.2	Very low	49.1	Very low	170 Å²	170	87.4 Å²	87.4	100%	1.03	48%	0.482	S	S	*	.			trans	-64	0	170.9	-164.9	0	0	0	0	108.7

Retrieved 259 of 259 residues in 75.9 ms (Link to these results)

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