A0A077ZJX3_TRITR Loading...

Phosphatidate cytidylyltransferase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZJX3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 487 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	38.6	Very low	70.7	Confident	169 Å²	169	94.6 Å²	94.6	83%	0.833	49%	0.492	S	S	*	.				0	127	0	-74.9	174.6	-179.4	0	0	107.2
2	C	32.4	Very low	72.9	Confident	111 Å²	111	88.7 Å²	88.7	75%	0.75	47%	0.467	S	S	*	.			trans	-108.8	107.5	173	-69.2	0	0	0	0	107.8	R4	C2-R4 PolarHBondContact O-N 3.31Å
3	H	39.1	Very low	74.8	Confident	118 Å²	118	88.3 Å²	88.3	55%	0.546	47%	0.47	S	S	.	.			trans	-82.4	98.9	169.4	-73	-71.1	0	0	0	108.5
4	R	41.8	Very low	76.2	Confident	203 Å²	203	85.4 Å²	85.4	77%	0.766	46%	0.46	S	S	*	.			trans	-83.8	132.9	140.4	-87.5	-173.7	176.6	-173.5	-0.6	104.8	C2 S6 L7	C2-R4 PolarHBondContact O-N 3.31Å; R4-S6 PolarHBondContact O-N 3.17Å; R4-L7 PolarHBondContact O-N 3.18Å
5	N	63.5	Low	77.3	Confident	172 Å²	172	85.5 Å²	85.5	92%	0.92	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-10.5	-157.4	-75.8	-10.2	0	0	0	118.8
6	S	85.1	Confident	78.3	Confident	39 Å²	39	84.8 Å²	84.8	27%	0.273	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-23.2	171.6	58.7	0	0	0	0	115.1	R4 E25 L26	R4-S6 PolarHBondContact O-N 3.17Å; S6-E25 CarbonylContact O-C 3.57Å; S6-E25 WeakPolarHBondContact O-CA 3.38Å; S6-E25 PolarHBondContact OG-OE1 3.01Å; S6-L26 VanDerWaalsContact CB-O 3.26Å; S6-L26 WeakPolarHBondContact CB-O 3.32Å; S6-L26 PolarHBondContact O-N 3.2Å
7	L	92.7	Very high	79.3	Confident	59 Å²	59	84.2 Å²	84.2	31%	0.309	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	133.6	-170.2	-75.8	166.1	0	0	0	112.3	R4 I23 E25 L54	R4-L7 PolarHBondContact O-N 3.18Å; L7-I23 HydrophobicContact CD2-CG2 4.36Å; L7-E25 HydrophobicContact CD2-CB 3.81Å; L7-E25 HydrophobicContact CD2-CG 3.98Å; L7-E25 HydrophobicContact CG-CG 4.36Å; L7-L54 HydrophobicContact CD2-CD1 4.13Å
8	W	93.7	Very high	80.3	Confident	11 Å²	11	84.3 Å²	84.3	4%	0.042	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.8	173.1	-178.3	89.1	0	0	0	109.7	L10 I22 A24 H74 L75 Y78	W8-L10 HydrophobicContact CH2-CB 3.67Å; W8-L10 HydrophobicContact CH2-CD2 4.07Å; W8-L10 HydrophobicContact CZ2-CB 3.99Å; W8-L10 HydrophobicContact CZ2-CD2 4.32Å; W8-L10 HydrophobicContact CZ3-CB 4.17Å; W8-I22 HydrophobicContact CE3-CG2 4.49Å; W8-I22 HydrophobicContact CH2-CG2 3.99Å; W8-I22 HydrophobicContact CZ3-CD1 4.49Å; W8-I22 HydrophobicContact CZ3-CG1 4.46Å; W8-I22 HydrophobicContact CZ3-CG2 3.51Å; W8-A24 HydrophobicContact CE3-CB 4.23Å; W8-A24 PolarHBondContact N-O 3.47Å; W8-A24 PolarHBondContact O-N 3.03Å; W8-H74 HydrophobicContact CH2-CB 4.34Å; W8-L75 HydrophobicContact CD2-CD1 4.17Å; W8-L75 HydrophobicContact CE3-CB 4.42Å; W8-L75 HydrophobicContact CE3-CD1 3.55Å; W8-L75 HydrophobicContact CH2-CB 3.83Å; W8-L75 HydrophobicContact CH2-CD1 4.36Å; W8-L75 HydrophobicContact CZ3-CB 3.62Å; W8-L75 HydrophobicContact CZ3-CD1 3.65Å; W8-L75 HydrophobicContact CZ3-CG 4.16Å; W8-Y78 HydrophobicContact CB-CD1 4.4Å; W8-Y78 HydrophobicContact CB-CE1 3.86Å; W8-Y78 AromaticContact CD1-CD1 3.5Å; W8-Y78 AromaticContact CD1-CD2 3.78Å; W8-Y78 AromaticContact CD1-CE1 3.27Å; W8-Y78 AromaticContact CD1-CE2 3.55Å; W8-Y78 AromaticContact CD1-CG 3.76Å; W8-Y78 AromaticContact CD1-CZ 3.3Å; W8-Y78 HydrophobicContact CD2-CD1 4.07Å; W8-Y78 HydrophobicContact CD2-CE1 4.37Å; W8-Y78 HydrophobicContact CD2-CG 4.48Å; W8-Y78 AromaticContact CE2-CD1 3.99Å; W8-Y78 AromaticContact CE2-CG 3.92Å; W8-Y78 AromaticContact CG-CD1 3.76Å; W8-Y78 HydrophobicContact CG-CD1 3.76Å; W8-Y78 AromaticContact CG-CE1 3.57Å; W8-Y78 HydrophobicContact CG-CE1 3.57Å; W8-Y78 HydrophobicContact CG-CG 4.36Å; W8-Y78 AromaticContact NE1-CD1 3.62Å; W8-Y78 AromaticContact NE1-CD2 3.48Å; W8-Y78 AromaticContact NE1-CE1 3.87Å; W8-Y78 AromaticContact NE1-CE2 3.73Å; W8-Y78 AromaticContact NE1-CG 3.43Å; W8-Y78 AromaticContact NE1-CZ 3.93Å
9	S	96.2	Very high	81.2	Confident	49 Å²	49	80.1 Å²	80.1	34%	0.343	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	147.5	177.3	58	0	0	0	0	112	I22	S9-I22 VanDerWaalsContact CA-O 3.26Å; S9-I22 WeakPolarHBondContact CA-O 3.46Å
10	L	97.2	Very high	82	Confident	41 Å²	41	76.3 Å²	76.3	22%	0.215	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	135.4	176.2	-176.8	66.3	0	0	0	109.8	W8 I21 I22 L71 H74	W8-L10 HydrophobicContact CH2-CB 3.67Å; W8-L10 HydrophobicContact CH2-CD2 4.07Å; W8-L10 HydrophobicContact CZ2-CB 3.99Å; W8-L10 HydrophobicContact CZ2-CD2 4.32Å; W8-L10 HydrophobicContact CZ3-CB 4.17Å; L10-I21 WeakPolarHBondContact O-CA 3.36Å; L10-I22 HydrophobicContact CB-CG2 3.8Å; L10-I22 PolarHBondContact N-O 3Å; L10-I22 PolarHBondContact O-N 3.07Å; L10-L71 HydrophobicContact CB-CD2 4.35Å; L10-L71 HydrophobicContact CD2-CD2 3.99Å; L10-L71 HydrophobicContact CG-CD2 3.93Å; L10-H74 HydrophobicContact CD2-CB 3.5Å; L10-H74 VanDerWaalsContact CD2-CB 3.5Å
11	V	97.6	Very high	82.7	Confident	69 Å²	69	75.2 Å²	75.2	42%	0.418	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.7	179.2	-67.8	0	0	0	0	110.6	V13 I18 G20 I21	V11-V13 HydrophobicContact CG2-CG2 4.2Å; V11-I18 HydrophobicContact CB-CG2 4.39Å; V11-I18 HydrophobicContact CG1-CG2 4.37Å; V11-G20 WeakPolarHBondContact CA-O 3.4Å; V11-I21 HydrophobicContact CG1-CB 4.3Å; V11-I21 HydrophobicContact CG1-CD1 3.95Å; V11-I21 HydrophobicContact CG1-CG1 3.87Å
12	A	97	Very high	85.5	Confident	23 Å²	23	67.2 Å²	67.2	19%	0.19	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.7	167.1	0	0	0	0	0	108.6	V19 G20 I67 L71	A12-V19 HydrophobicContact CB-CG2 3.92Å; A12-V19 VanDerWaalsContact O-CG2 3.29Å; A12-V19 WeakPolarHBondContact O-CG2 3.36Å; A12-V19 PolarHBondContact O-N 3.06Å; A12-G20 PolarHBondContact N-O 2.98Å; A12-G20 PolarHBondContact O-N 3.41Å; A12-I67 HydrophobicContact CB-CG2 3.6Å; A12-L71 HydrophobicContact CB-CD2 4.3Å
13	V	97.2	Very high	88.7	Confident	84 Å²	84	64.5 Å²	64.5	51%	0.509	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.6	-178	-177.9	0	0	0	0	109.5	V11 L17 I18	V11-V13 HydrophobicContact CG2-CG2 4.2Å; V13-L17 CarbonylContact C-O 3.55Å; V13-L17 VanDerWaalsContact CA-O 3.27Å; V13-L17 WeakPolarHBondContact CA-O 3.23Å; V13-I18 HydrophobicContact CG2-CG1 4.4Å
14	S	94.8	Very high	91.4	Very high	47 Å²	47	58.9 Å²	58.9	33%	0.329	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	123.4	170.7	-175.7	0	0	0	0	109.7	G16 L17 W62	S14-G16 VanDerWaalsContact C-N 3.26Å; S14-G16 PolarHBondContact O-N 3.28Å; S14-L17 PolarHBondContact N-O 3.21Å; S14-L17 WeakPolarHBondContact O-CB 3.15Å; S14-L17 PolarHBondContact O-N 3.43Å; S14-L17 VanDerWaalsContact O-N 3.08Å; S14-W62 VanDerWaalsContact CB-CH2 3.47Å; S14-W62 WeakPolarHBondContact OG-CH2 3.33Å
15	G	92.6	Very high	94	Very high	88 Å²	88	51 Å²	51	91%	0.907	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	36.3	-177.9	0	0	0	0	0	113.5	L17	G15-L17 PolarHBondContact O-N 3.08Å
16	G	93	Very high	95.5	Very high	74 Å²	74	44.1 Å²	44.1	76%	0.763	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-10	-176	0	0	0	0	0	115.3	S14	S14-G16 VanDerWaalsContact C-N 3.26Å; S14-G16 PolarHBondContact O-N 3.28Å
17	L	95.8	Very high	95.9	Very high	74 Å²	74	44.6 Å²	44.6	39%	0.387	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.7	178.3	-174.3	70.3	0	0	0	111.5	V13 S14 G15 V19	V13-L17 CarbonylContact C-O 3.55Å; V13-L17 VanDerWaalsContact CA-O 3.27Å; V13-L17 WeakPolarHBondContact CA-O 3.23Å; S14-L17 PolarHBondContact N-O 3.21Å; S14-L17 WeakPolarHBondContact O-CB 3.15Å; S14-L17 PolarHBondContact O-N 3.43Å; S14-L17 VanDerWaalsContact O-N 3.08Å; G15-L17 PolarHBondContact O-N 3.08Å; L17-V19 HydrophobicContact CD2-CG1 4.38Å; L17-V19 PolarHBondContact O-N 3.25Å
18	I	96.6	Very high	96	Very high	87 Å²	87	42.8 Å²	42.8	45%	0.446	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	111.8	166.9	-59.8	174.8	0	0	0	108.7	V11 V13 R59	V11-I18 HydrophobicContact CB-CG2 4.39Å; V11-I18 HydrophobicContact CG1-CG2 4.37Å; V13-I18 HydrophobicContact CG2-CG1 4.4Å; I18-R59 WeakPolarHBondContact O-CD 3.45Å; I18-R59 PolarHBondContact O-NE 3.12Å
19	V	97.5	Very high	95.9	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-18.9	-178.8	-62.9	0	0	0	0	112.9	A12 L17 V58 R59 W62 I67	A12-V19 HydrophobicContact CB-CG2 3.92Å; A12-V19 VanDerWaalsContact O-CG2 3.29Å; A12-V19 WeakPolarHBondContact O-CG2 3.36Å; A12-V19 PolarHBondContact O-N 3.06Å; L17-V19 HydrophobicContact CD2-CG1 4.38Å; L17-V19 PolarHBondContact O-N 3.25Å; V19-V58 WeakPolarHBondContact O-CA 3.48Å; V19-V58 WeakPolarHBondContact O-CG1 3.15Å; V19-R59 PolarHBondContact O-N 3.07Å; V19-W62 HydrophobicContact CB-CB 4.17Å; V19-W62 HydrophobicContact CB-CD2 3.9Å; V19-W62 HydrophobicContact CB-CE3 4.38Å; V19-W62 HydrophobicContact CB-CG 3.78Å; V19-W62 HydrophobicContact CG1-CD2 3.56Å; V19-W62 VanDerWaalsContact CG1-CE2 3.46Å; V19-W62 HydrophobicContact CG1-CE3 4.15Å; V19-W62 HydrophobicContact CG1-CG 3.77Å; V19-W62 HydrophobicContact CG1-CZ2 4Å; V19-W62 HydrophobicContact CG2-CD2 4.5Å; V19-W62 HydrophobicContact CG2-CE3 4.49Å; V19-I67 HydrophobicContact CG2-CD1 3.99Å
20	G	97.1	Very high	95.8	Very high	3 Å²	3	43 Å²	43	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	158.8	173	0	0	0	0	0	112.6	V11 A12 G57	V11-G20 WeakPolarHBondContact CA-O 3.4Å; A12-G20 PolarHBondContact N-O 2.98Å; A12-G20 PolarHBondContact O-N 3.41Å; G20-G57 CarbonylContact C-O 3.57Å; G20-G57 WeakPolarHBondContact CA-O 3.34Å
21	I	97.9	Very high	95.6	Very high	55 Å²	55	46.7 Å²	46.7	28%	0.282	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	145.1	-177.9	-172.4	166.5	0	0	0	110.3	L10 V11 I23 L56 G57	L10-I21 WeakPolarHBondContact O-CA 3.36Å; V11-I21 HydrophobicContact CG1-CB 4.3Å; V11-I21 HydrophobicContact CG1-CD1 3.95Å; V11-I21 HydrophobicContact CG1-CG1 3.87Å; I21-I23 HydrophobicContact CD1-CD1 3.94Å; I21-I23 HydrophobicContact CD1-CG1 3.96Å; I21-I23 HydrophobicContact CG1-CD1 4.46Å; I21-I23 HydrophobicContact CG1-CG1 3.98Å; I21-L56 WeakPolarHBondContact O-CA 3.42Å; I21-G57 PolarHBondContact N-O 3.04Å; I21-G57 PolarHBondContact O-N 3.29Å
22	I	98	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.9	163.6	-171	168.5	0	0	0	109	W8 S9 L10 I53 S55 L56 L71 L72 L75	W8-I22 HydrophobicContact CE3-CG2 4.49Å; W8-I22 HydrophobicContact CH2-CG2 3.99Å; W8-I22 HydrophobicContact CZ3-CD1 4.49Å; W8-I22 HydrophobicContact CZ3-CG1 4.46Å; W8-I22 HydrophobicContact CZ3-CG2 3.51Å; S9-I22 VanDerWaalsContact CA-O 3.26Å; S9-I22 WeakPolarHBondContact CA-O 3.46Å; L10-I22 HydrophobicContact CB-CG2 3.8Å; L10-I22 PolarHBondContact N-O 3Å; L10-I22 PolarHBondContact O-N 3.07Å; I22-I53 HydrophobicContact CG1-CG2 4.38Å; I22-S55 CarbonylContact C-O 3.59Å; I22-S55 VanDerWaalsContact CA-O 3.31Å; I22-S55 WeakPolarHBondContact CA-O 3.19Å; I22-L56 HydrophobicContact CB-CD1 3.87Å; I22-L56 HydrophobicContact CD1-CD1 4.13Å; I22-L56 HydrophobicContact CG1-CB 4.46Å; I22-L56 HydrophobicContact CG1-CD1 4.1Å; I22-L71 HydrophobicContact CB-CB 4.12Å; I22-L71 HydrophobicContact CG2-CB 3.87Å; I22-L71 HydrophobicContact CG2-CD2 4.17Å; I22-L71 HydrophobicContact CG2-CG 4.46Å; I22-L72 HydrophobicContact CD1-CD1 4.31Å; I22-L75 HydrophobicContact CD1-CB 4.01Å; I22-L75 HydrophobicContact CD1-CD2 3.76Å
23	I	97.8	Very high	95.1	Very high	54 Å²	54	45.8 Å²	45.8	28%	0.277	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.8	174.7	-51.3	178.3	0	0	0	106.9	L7 I21 L54 S55	L7-I23 HydrophobicContact CD2-CG2 4.36Å; I21-I23 HydrophobicContact CD1-CD1 3.94Å; I21-I23 HydrophobicContact CD1-CG1 3.96Å; I21-I23 HydrophobicContact CG1-CD1 4.46Å; I21-I23 HydrophobicContact CG1-CG1 3.98Å; I23-L54 HydrophobicContact CB-CB 4.41Å; I23-L54 HydrophobicContact CG2-CB 4.32Å; I23-L54 HydrophobicContact CG2-CD1 4.1Å; I23-L54 PolarHBondContact O-N 3.05Å; I23-S55 PolarHBondContact N-O 3.08Å; I23-S55 PolarHBondContact O-N 3.47Å
24	A	97.5	Very high	94.6	Very high	1 Å²	1	45 Å²	45	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.6	177.7	0	0	0	0	0	110.4	W8 Y52 L75	W8-A24 HydrophobicContact CE3-CB 4.23Å; W8-A24 PolarHBondContact N-O 3.47Å; W8-A24 PolarHBondContact O-N 3.03Å; A24-Y52 CarbonylContact C-O 3.55Å; A24-Y52 WeakPolarHBondContact CA-O 3.31Å; A24-L75 HydrophobicContact CB-CD1 3.68Å; A24-L75 HydrophobicContact CB-CD2 3.96Å
25	E	95.5	Very high	94.1	Very high	37 Å²	37	48.2 Å²	48.2	17%	0.173	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.4	176.4	-170.4	176.3	-173.3	0	0	110.1	S6 L7 R27 Y52 L54	S6-E25 CarbonylContact O-C 3.57Å; S6-E25 WeakPolarHBondContact O-CA 3.38Å; S6-E25 PolarHBondContact OG-OE1 3.01Å; L7-E25 HydrophobicContact CD2-CB 3.81Å; L7-E25 HydrophobicContact CD2-CG 3.98Å; L7-E25 HydrophobicContact CG-CG 4.36Å; E25-R27 HydrophobicContact CB-CG 4.49Å; E25-R27 VanDerWaalsContact CD-NE 3.31Å; E25-R27 HydrophobicContact CG-CG 3.94Å; E25-R27 IonicContact OE1-NE 3.84Å; E25-R27 IonicContact OE2-CZ 3.46Å; E25-R27 IonicContact OE2-NE 3.32Å; E25-R27 PolarHBondContact OE2-NE 3.48Å; E25-R27 IonicContact OE2-NH2 2.77Å; E25-R27 PolarHBondContact OE2-NH2 3.36Å; E25-Y52 PolarHBondContact N-O 3.27Å; E25-Y52 PolarHBondContact O-N 3.47Å; E25-L54 HydrophobicContact CB-CD1 3.56Å
26	L	94.9	Very high	94	Very high	28 Å²	28	44.3 Å²	44.3	15%	0.147	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.7	171.5	-56.2	-171.9	0	0	0	108.7	S6 C51 Y78 I79 I84 I90	S6-L26 VanDerWaalsContact CB-O 3.26Å; S6-L26 WeakPolarHBondContact CB-O 3.32Å; S6-L26 PolarHBondContact O-N 3.2Å; L26-C51 HydrophobicContact CD2-CB 3.96Å; L26-Y78 HydrophobicContact CD1-CE1 4.31Å; L26-I79 HydrophobicContact CD2-CG2 4.06Å; L26-I84 HydrophobicContact CD1-CD1 4.49Å; L26-I84 HydrophobicContact CD1-CG1 4.29Å; L26-I84 HydrophobicContact CD1-CG2 3.97Å; L26-I90 HydrophobicContact CD1-CD1 4.46Å; L26-I90 HydrophobicContact CD2-CD1 3.49Å; L26-I90 VanDerWaalsContact CD2-CD1 3.49Å
27	R	93.7	Very high	93.7	Very high	48 Å²	48	47.7 Å²	47.7	18%	0.181	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.6	-178.4	-61.8	-174.5	-179	-174.5	0.6	110.2	E25 Q31 P49 V50	E25-R27 HydrophobicContact CB-CG 4.49Å; E25-R27 VanDerWaalsContact CD-NE 3.31Å; E25-R27 HydrophobicContact CG-CG 3.94Å; E25-R27 IonicContact OE1-NE 3.84Å; E25-R27 IonicContact OE2-CZ 3.46Å; E25-R27 IonicContact OE2-NE 3.32Å; E25-R27 PolarHBondContact OE2-NE 3.48Å; E25-R27 IonicContact OE2-NH2 2.77Å; E25-R27 PolarHBondContact OE2-NH2 3.36Å; R27-Q31 VanDerWaalsContact CA-OE1 3.32Å; R27-Q31 HydrophobicContact CB-CB 4.15Å; R27-P49 CarbonylContact O-C 3.58Å; R27-P49 WeakPolarHBondContact O-CA 3.43Å; R27-V50 HydrophobicContact CB-CG2 4.13Å; R27-V50 PolarHBondContact N-O 2.96Å; R27-V50 WeakPolarHBondContact O-CG2 3.34Å; R27-V50 PolarHBondContact O-N 3.37Å; R27-V50 VanDerWaalsContact O-O 3.07Å
28	T	94.2	Very high	93.2	Very high	21 Å²	21	45.7 Å²	45.7	13%	0.129	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	158.8	159.7	60.3	0	0	0	0	109.9	S30 Q31 C32 T48	T28-S30 PolarHBondContact O-N 2.95Å; T28-S30 PolarHBondContact OG1-OG 3.02Å; T28-Q31 WeakPolarHBondContact O-CB 3.12Å; T28-Q31 PolarHBondContact O-N 3.44Å; T28-Q31 VanDerWaalsContact OG1-CG 3.3Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.23Å; T28-Q31 PolarHBondContact OG1-OE1 2.96Å; T28-C32 PolarHBondContact O-N 3.39Å; T28-T48 CarbonylContact C-O 3.6Å; T28-T48 WeakPolarHBondContact CA-O 3.27Å
29	L	93.2	Very high	93	Very high	14 Å²	14	41.6 Å²	41.6	7%	0.073	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-57.5	-34.6	177.6	-171.9	63.9	0	0	0	112.4	Q31 C32 I39 L40 E46 T48	L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 3.11Å; L29-C32 WeakPolarHBondContact O-CB 3.43Å; L29-C32 PolarHBondContact O-N 3.36Å; L29-I39 HydrophobicContact CD1-CD1 4.18Å; L29-I39 HydrophobicContact CD1-CG1 3.87Å; L29-L40 HydrophobicContact CD1-CB 4.48Å; L29-L40 HydrophobicContact CD2-CB 4.28Å; L29-E46 WeakPolarHBondContact CB-O 3.43Å; L29-E46 PolarHBondContact N-O 3.2Å; L29-T48 PolarHBondContact N-O 3.35Å
30	S	93	Very high	92.7	Very high	52 Å²	52	41.4 Å²	41.4	36%	0.364	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-63.3	-26.4	173	50.2	0	0	0	0	114.6	T28 C32 E46	T28-S30 PolarHBondContact O-N 2.95Å; T28-S30 PolarHBondContact OG1-OG 3.02Å; S30-C32 VanDerWaalsContact C-N 3.33Å; S30-E46 PolarHBondContact N-O 3.41Å; S30-E46 PolarHBondContact OG-O 3.31Å
31	Q	93.8	Very high	92.3	Very high	118 Å²	118	41.8 Å²	41.8	55%	0.551	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-85	-7.2	178.1	-69.2	170.4	-23.8	0	0	112.7	R27 T28 L29	R27-Q31 VanDerWaalsContact CA-OE1 3.32Å; R27-Q31 HydrophobicContact CB-CB 4.15Å; T28-Q31 WeakPolarHBondContact O-CB 3.12Å; T28-Q31 PolarHBondContact O-N 3.44Å; T28-Q31 VanDerWaalsContact OG1-CG 3.3Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.23Å; T28-Q31 PolarHBondContact OG1-OE1 2.96Å; L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 3.11Å
32	C	93.2	Very high	91.7	Very high	5 Å²	5	48 Å²	48	3%	0.034	25%	0.248	C	C	.	.	S	Bend	trans	-73	149.6	172.9	-67.1	0	0	0	0	111.2	T28 L29 S30 D36	T28-C32 PolarHBondContact O-N 3.39Å; L29-C32 WeakPolarHBondContact O-CB 3.43Å; L29-C32 PolarHBondContact O-N 3.36Å; S30-C32 VanDerWaalsContact C-N 3.33Å; C32-D36 HydrophobicContact CB-CB 3.91Å
33	C	90.5	Very high	91.2	Very high	67 Å²	67	51.2 Å²	51.2	45%	0.453	27%	0.27	S	S	.	.			trans	-59.2	157.9	170.4	-64.5	0	0	0	0	110.3	E35 D36 R37	C33-E35 WeakPolarHBondContact CB-OE2 3.29Å; C33-E35 PolarHBondContact O-N 2.85Å; C33-D36 PolarHBondContact O-N 3.18Å; C33-R37 PolarHBondContact O-N 3.24Å
34	A	85.7	Confident	90.9	Very high	69 Å²	69	49.7 Å²	49.7	57%	0.57	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-58	-37.1	-173.4	0	0	0	0	0	112.2	D36 R37	A34-D36 PolarHBondContact O-N 2.99Å; A34-R37 PolarHBondContact O-N 3.31Å
35	E	85.2	Confident	90.7	Very high	114 Å²	114	53.3 Å²	53.3	53%	0.533	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-65.6	-28.1	178.5	-54.7	78.7	-169.1	0	0	112.4	C33 L119	C33-E35 WeakPolarHBondContact CB-OE2 3.29Å; C33-E35 PolarHBondContact O-N 2.85Å; E35-L119 HydrophobicContact CB-CD2 3.97Å; E35-L119 HydrophobicContact CG-CD2 4.44Å
36	D	90.5	Very high	90.5	Very high	6 Å²	6	58 Å²	58	3%	0.032	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-94.5	-4.6	-177.3	-70.2	-39.1	0	0	0	113.2	C32 C33 A34 A38 I39 F94 H96	C32-D36 HydrophobicContact CB-CB 3.91Å; C33-D36 PolarHBondContact O-N 3.18Å; A34-D36 PolarHBondContact O-N 2.99Å; D36-A38 PolarHBondContact O-N 3.19Å; D36-A38 VanDerWaalsContact O-N 3.16Å; D36-I39 HydrophobicContact CB-CG2 4.38Å; D36-I39 WeakPolarHBondContact O-CB 3.46Å; D36-I39 WeakPolarHBondContact O-CG1 3.44Å; D36-I39 VanDerWaalsContact O-CG2 3.25Å; D36-I39 WeakPolarHBondContact O-CG2 3.5Å; D36-I39 PolarHBondContact O-N 3.4Å; D36-I39 VanDerWaalsContact O-N 3.14Å; D36-F94 HydrophobicContact CB-CE2 4.1Å; D36-H96 IonicContact OD1-CE1 2.81Å; D36-H96 PolarHBondContact OD1-CE1 3.49Å; D36-H96 IonicContact OD1-NE2 3.31Å; D36-H96 PolarHBondContact OD1-NE2 3.08Å; D36-H96 IonicContact OD2-CE1 3.27Å; D36-H96 PolarHBondContact OD2-CE1 3.19Å; D36-H96 IonicContact OD2-NE2 3.82Å
37	R	86.9	Confident	90.5	Very high	144 Å²	144	60.1 Å²	60.1	54%	0.543	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-64.5	-21.4	179.7	-71.4	-178.4	180	172.2	-2.8	113.3	C33 A34 I39	C33-R37 PolarHBondContact O-N 3.24Å; A34-R37 PolarHBondContact O-N 3.31Å; R37-I39 VanDerWaalsContact C-N 3.33Å
38	A	85.6	Confident	90.6	Very high	33 Å²	33	58.2 Å²	58.2	27%	0.273	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-86.3	2.3	178.6	0	0	0	0	0	114	D36 L40	D36-A38 PolarHBondContact O-N 3.19Å; D36-A38 VanDerWaalsContact O-N 3.16Å; A38-L40 PolarHBondContact O-N 3.3Å
39	I	91.9	Very high	90.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-62.7	-21.1	175.5	66.9	-173.3	0	0	0	112.6	L29 D36 R37 V50 F94 L116 T134 V136 Y138	L29-I39 HydrophobicContact CD1-CD1 4.18Å; L29-I39 HydrophobicContact CD1-CG1 3.87Å; D36-I39 HydrophobicContact CB-CG2 4.38Å; D36-I39 WeakPolarHBondContact O-CB 3.46Å; D36-I39 WeakPolarHBondContact O-CG1 3.44Å; D36-I39 VanDerWaalsContact O-CG2 3.25Å; D36-I39 WeakPolarHBondContact O-CG2 3.5Å; D36-I39 PolarHBondContact O-N 3.4Å; D36-I39 VanDerWaalsContact O-N 3.14Å; R37-I39 VanDerWaalsContact C-N 3.33Å; I39-V50 HydrophobicContact CD1-CB 4.43Å; I39-V50 HydrophobicContact CD1-CG1 4.23Å; I39-V50 HydrophobicContact CD1-CG2 4.39Å; I39-F94 HydrophobicContact CD1-CD1 3.65Å; I39-F94 HydrophobicContact CD1-CD2 4.38Å; I39-F94 HydrophobicContact CD1-CE1 3.66Å; I39-F94 HydrophobicContact CD1-CE2 4.39Å; I39-F94 HydrophobicContact CD1-CG 4.03Å; I39-F94 HydrophobicContact CD1-CZ 4.04Å; I39-F94 HydrophobicContact CG2-CD2 4.35Å; I39-F94 HydrophobicContact CG2-CG 4.48Å; I39-L116 HydrophobicContact CB-CD2 4.24Å; I39-L116 HydrophobicContact CG2-CD2 3.76Å; I39-T134 HydrophobicContact CG2-CG2 4.29Å; I39-V136 HydrophobicContact CB-CG2 4.34Å; I39-V136 HydrophobicContact CG2-CG2 4.08Å; I39-Y138 VanDerWaalsContact O-CE1 3.23Å; I39-Y138 WeakPolarHBondContact O-CE1 3.2Å; I39-Y138 PolarHBondContact O-OH 3.37Å
40	L	91.8	Very high	90.8	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	31%	0.308	C	S	.	.	S	Bend	trans	-125.5	155.4	171.3	-69.3	175.1	0	0	0	109.9	L29 A38 F44 T48 V50 R91 C92 Y138 Y143	L29-L40 HydrophobicContact CD1-CB 4.48Å; L29-L40 HydrophobicContact CD2-CB 4.28Å; A38-L40 PolarHBondContact O-N 3.3Å; L40-F44 HydrophobicContact CB-CB 4.29Å; L40-F44 HydrophobicContact CB-CD2 3.93Å; L40-F44 HydrophobicContact CB-CG 4.24Å; L40-F44 HydrophobicContact CD1-CB 4.43Å; L40-F44 HydrophobicContact CD1-CG 4.35Å; L40-F44 HydrophobicContact CD2-CD2 4.41Å; L40-F44 HydrophobicContact CD2-CE2 4.42Å; L40-T48 HydrophobicContact CD1-CG2 3.69Å; L40-V50 HydrophobicContact CD1-CG1 3.7Å; L40-R91 HydrophobicContact CD1-CB 3.91Å; L40-R91 HydrophobicContact CD2-CB 4.07Å; L40-C92 HydrophobicContact CD2-CB 4.38Å; L40-Y138 HydrophobicContact CD2-CD1 4.28Å; L40-Y138 HydrophobicContact CD2-CE1 4.21Å; L40-Y143 CarbonylContact C-O 3.4Å; L40-Y143 WeakPolarHBondContact CA-O 3.48Å
41	D	87.7	Confident	91	Very high	11 Å²	11	54.4 Å²	54.4	6%	0.059	29%	0.29	C	S	.	.			trans	-62.4	148.4	173.8	179.8	103.1	0	0	0	111.9	S43 F44 Y143 N145	D41-S43 PolarHBondContact O-N 2.91Å; D41-S43 WeakPolarHBondContact OD2-CA 3.41Å; D41-S43 WeakPolarHBondContact OD2-CB 3.44Å; D41-S43 PolarHBondContact OD2-N 3.44Å; D41-S43 PolarHBondContact OD2-OG 3.2Å; D41-F44 HydrophobicContact CB-CD2 4Å; D41-F44 HydrophobicContact CB-CE2 4.16Å; D41-F44 WeakPolarHBondContact O-CB 3.4Å; D41-F44 WeakPolarHBondContact O-CD2 3.46Å; D41-F44 PolarHBondContact O-N 3.02Å; D41-Y143 HydrophobicContact CB-CD2 3.59Å; D41-Y143 HydrophobicContact CB-CE2 3.26Å; D41-Y143 VanDerWaalsContact CG-CE2 3.43Å; D41-Y143 PolarHBondContact N-O 2.98Å; D41-N145 WeakPolarHBondContact CA-OD1 3.22Å; D41-N145 WeakPolarHBondContact OD1-CA 3.43Å; D41-N145 PolarHBondContact OD1-OD1 2.59Å
42	K	86.1	Confident	91.1	Very high	186 Å²	186	50.1 Å²	50.1	81%	0.809	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.3	-179.6	-68.5	176.2	-177	179.5	0	114.4	F44 N145	K42-F44 VanDerWaalsContact C-N 3.26Å; K42-N145 PolarHBondContact N-OD1 3.23Å
43	S	86.9	Confident	91.4	Very high	66 Å²	66	50 Å²	50	46%	0.462	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.1	172.8	59.8	0	0	0	0	113.8	D41 Y143	D41-S43 PolarHBondContact O-N 2.91Å; D41-S43 WeakPolarHBondContact OD2-CA 3.41Å; D41-S43 WeakPolarHBondContact OD2-CB 3.44Å; D41-S43 PolarHBondContact OD2-N 3.44Å; D41-S43 PolarHBondContact OD2-OG 3.2Å; S43-Y143 PolarHBondContact OG-OH 3.36Å
44	F	91.3	Very high	91.6	Very high	23 Å²	23	50.4 Å²	50.4	10%	0.101	27%	0.266	C	S	.	.	S	Bend	trans	-75.9	130.2	172.1	-71.7	-83.6	0	0	0	110	L40 D41 K42 T48 R91 Y143	L40-F44 HydrophobicContact CB-CB 4.29Å; L40-F44 HydrophobicContact CB-CD2 3.93Å; L40-F44 HydrophobicContact CB-CG 4.24Å; L40-F44 HydrophobicContact CD1-CB 4.43Å; L40-F44 HydrophobicContact CD1-CG 4.35Å; L40-F44 HydrophobicContact CD2-CD2 4.41Å; L40-F44 HydrophobicContact CD2-CE2 4.42Å; D41-F44 HydrophobicContact CB-CD2 4Å; D41-F44 HydrophobicContact CB-CE2 4.16Å; D41-F44 WeakPolarHBondContact O-CB 3.4Å; D41-F44 WeakPolarHBondContact O-CD2 3.46Å; D41-F44 PolarHBondContact O-N 3.02Å; K42-F44 VanDerWaalsContact C-N 3.26Å; F44-T48 HydrophobicContact CB-CG2 4.44Å; F44-T48 HydrophobicContact CD1-CG2 4.14Å; F44-R91 HydrophobicContact CD1-CG 4.2Å; F44-R91 HydrophobicContact CE1-CG 4.03Å; F44-Y143 AromaticContact CE2-CD1 3.61Å; F44-Y143 HydrophobicContact CE2-CD1 3.61Å; F44-Y143 HydrophobicContact CE2-CD2 4.2Å; F44-Y143 AromaticContact CE2-CE1 3.48Å; F44-Y143 HydrophobicContact CE2-CE1 3.48Å; F44-Y143 VanDerWaalsContact CE2-CE1 3.48Å; F44-Y143 HydrophobicContact CE2-CE2 4.07Å; F44-Y143 AromaticContact CE2-CG 3.96Å; F44-Y143 HydrophobicContact CE2-CG 3.96Å; F44-Y143 AromaticContact CE2-CZ 3.69Å; F44-Y143 AromaticContact CZ-CD1 3.62Å; F44-Y143 HydrophobicContact CZ-CD1 3.62Å; F44-Y143 AromaticContact CZ-CE1 3.51Å; F44-Y143 HydrophobicContact CZ-CE1 3.51Å; F44-Y143 HydrophobicContact CZ-CG 4.37Å
45	P	93	Very high	92.1	Very high	77 Å²	77	49.7 Å²	49.7	50%	0.5	26%	0.256	S	S	.	.			trans	-56.8	148.7	174.8	-25	33.3	0	0	0	111.8	T47 T48	P45-T47 PolarHBondContact O-N 3.13Å; P45-T47 VanDerWaalsContact O-N 3.09Å; P45-T48 WeakPolarHBondContact CD-OG1 3.27Å; P45-T48 WeakPolarHBondContact O-CB 3.28Å; P45-T48 PolarHBondContact O-N 3.13Å; P45-T48 PolarHBondContact O-OG1 2.92Å
46	E	92.7	Very high	92.7	Very high	135 Å²	135	45.7 Å²	45.7	63%	0.631	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.9	177.4	-63.1	-167.1	164.8	0	0	113.5	L29 S30 T48	L29-E46 WeakPolarHBondContact CB-O 3.43Å; L29-E46 PolarHBondContact N-O 3.2Å; S30-E46 PolarHBondContact N-O 3.41Å; S30-E46 PolarHBondContact OG-O 3.31Å; E46-T48 PolarHBondContact O-N 2.82Å
47	T	94.2	Very high	92.9	Very high	72 Å²	72	46.8 Å²	46.8	44%	0.442	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-2.6	173.2	55	0	0	0	0	113.5	P45 H87	P45-T47 PolarHBondContact O-N 3.13Å; P45-T47 VanDerWaalsContact O-N 3.09Å; T47-H87 VanDerWaalsContact O-CB 3.26Å; T47-H87 WeakPolarHBondContact O-CB 3.46Å
48	T	95.2	Very high	93.3	Very high	9 Å²	9	41 Å²	41	6%	0.055	23%	0.232	C	C	.	.			trans	-60.5	127.2	-178	-63.4	0	0	0	0	110.7	T28 L29 L40 F44 P45 E46 R91	T28-T48 CarbonylContact C-O 3.6Å; T28-T48 WeakPolarHBondContact CA-O 3.27Å; L29-T48 PolarHBondContact N-O 3.35Å; L40-T48 HydrophobicContact CD1-CG2 3.69Å; F44-T48 HydrophobicContact CB-CG2 4.44Å; F44-T48 HydrophobicContact CD1-CG2 4.14Å; P45-T48 WeakPolarHBondContact CD-OG1 3.27Å; P45-T48 WeakPolarHBondContact O-CB 3.28Å; P45-T48 PolarHBondContact O-N 3.13Å; P45-T48 PolarHBondContact O-OG1 2.92Å; E46-T48 PolarHBondContact O-N 2.82Å; T48-R91 HydrophobicContact CG2-CB 3.91Å; T48-R91 HydrophobicContact CG2-CG 3.39Å
49	P	95.3	Very high	93.8	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.045	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.6	-179.1	28.7	-32.7	0	0	0	112.3	R27 S85 H87 G88 I90 R91	R27-P49 CarbonylContact O-C 3.58Å; R27-P49 WeakPolarHBondContact O-CA 3.43Å; P49-S85 WeakPolarHBondContact CB-OG 3.19Å; P49-S85 WeakPolarHBondContact CG-OG 3.37Å; P49-H87 HydrophobicContact CG-CB 4.48Å; P49-G88 VanDerWaalsContact CG-O 3.32Å; P49-G88 WeakPolarHBondContact CG-O 3.39Å; P49-I90 HydrophobicContact CB-CG1 4.39Å; P49-I90 WeakPolarHBondContact O-CA 3.4Å; P49-R91 PolarHBondContact O-N 3.26Å
50	V	96.1	Very high	93.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.5	178	-59.8	0	0	0	0	109.8	R27 I39 L40 C92 F94	R27-V50 HydrophobicContact CB-CG2 4.13Å; R27-V50 PolarHBondContact N-O 2.96Å; R27-V50 WeakPolarHBondContact O-CG2 3.34Å; R27-V50 PolarHBondContact O-N 3.37Å; R27-V50 VanDerWaalsContact O-O 3.07Å; I39-V50 HydrophobicContact CD1-CB 4.43Å; I39-V50 HydrophobicContact CD1-CG1 4.23Å; I39-V50 HydrophobicContact CD1-CG2 4.39Å; L40-V50 HydrophobicContact CD1-CG1 3.7Å; V50-C92 VanDerWaalsContact CG1-SG 3.54Å; V50-F94 HydrophobicContact CB-CE1 4.33Å; V50-F94 HydrophobicContact CG2-CE1 3.94Å
51	C	96.7	Very high	93.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.5	178.8	176.7	0	0	0	0	110	L26 I79 I90 C92 V93 F94	L26-C51 HydrophobicContact CD2-CB 3.96Å; C51-I79 HydrophobicContact CB-CD1 4.43Å; C51-I90 HydrophobicContact CB-CD1 4.3Å; C51-I90 HydrophobicContact CB-CG2 4.08Å; C51-C92 PolarHBondContact N-O 3.43Å; C51-V93 HydrophobicContact CB-CB 4.47Å; C51-V93 HydrophobicContact CB-CG1 4.35Å; C51-V93 HydrophobicContact CB-CG2 4.07Å; C51-V93 CarbonylContact O-C 3.55Å; C51-V93 WeakPolarHBondContact O-CA 3.49Å; C51-F94 WeakPolarHBondContact O-CD1 3.49Å; C51-F94 PolarHBondContact O-N 3.36Å
52	Y	97.4	Very high	94.1	Very high	27 Å²	27	62.1 Å²	62.1	11%	0.106	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.4	177.8	179.7	-129.7	0	0	0	110.7	A24 E25 L54 F94 H96	A24-Y52 CarbonylContact C-O 3.55Å; A24-Y52 WeakPolarHBondContact CA-O 3.31Å; E25-Y52 PolarHBondContact N-O 3.27Å; E25-Y52 PolarHBondContact O-N 3.47Å; Y52-L54 HydrophobicContact CD1-CD1 4.19Å; Y52-L54 HydrophobicContact CD1-CG 3.84Å; Y52-L54 HydrophobicContact CE1-CG 3.87Å; Y52-L54 PolarHBondContact O-N 2.9Å; Y52-F94 CarbonylContact C-O 3.57Å; Y52-F94 WeakPolarHBondContact CA-O 3.47Å; Y52-F94 HydrophobicContact CD2-CD1 4.37Å; Y52-F94 AromaticContact CD2-CD2 3.7Å; Y52-F94 HydrophobicContact CD2-CD2 3.7Å; Y52-F94 HydrophobicContact CD2-CE1 4.06Å; Y52-F94 AromaticContact CD2-CE2 3.33Å; Y52-F94 HydrophobicContact CD2-CE2 3.33Å; Y52-F94 HydrophobicContact CD2-CG 4.21Å; Y52-F94 AromaticContact CD2-CZ 3.54Å; Y52-F94 HydrophobicContact CD2-CZ 3.54Å; Y52-F94 WeakPolarHBondContact CD2-O 2.82Å; Y52-F94 HydrophobicContact CE2-CD2 4.18Å; Y52-F94 AromaticContact CE2-CE2 3.85Å; Y52-F94 HydrophobicContact CE2-CE2 3.85Å; Y52-F94 HydrophobicContact CE2-CZ 4.42Å; Y52-F94 HydrophobicContact CG-CE1 4.23Å; Y52-F94 HydrophobicContact CG-CE2 4.08Å; Y52-F94 AromaticContact CG-CZ 3.81Å; Y52-F94 HydrophobicContact CG-CZ 3.81Å; Y52-H96 AromaticContact CE2-CE1 3.84Å; Y52-H96 AromaticContact CE2-ND1 3.37Å; Y52-H96 WeakPolarHBondContact CE2-ND1 3.32Å; Y52-H96 AromaticContact CZ-ND1 3.55Å; Y52-H96 PolarHBondContact OH-ND1 3.36Å
53	I	98.1	Very high	94.3	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.1	171.4	-59.5	174.1	0	0	0	108.3	I22 L56 L72 L75 V93 F94 L95 F113	I22-I53 HydrophobicContact CG1-CG2 4.38Å; I53-L56 HydrophobicContact CG2-CB 4.23Å; I53-L72 HydrophobicContact CD1-CD1 3.83Å; I53-L75 HydrophobicContact CD1-CD2 3.75Å; I53-L75 HydrophobicContact CG1-CD2 3.69Å; I53-V93 HydrophobicContact CD1-CG1 3.67Å; I53-V93 HydrophobicContact CG1-CG1 3.74Å; I53-F94 PolarHBondContact N-O 3.05Å; I53-L95 HydrophobicContact CB-CB 4.01Å; I53-L95 HydrophobicContact CD1-CD2 4.12Å; I53-F113 HydrophobicContact CD1-CE1 4.38Å; I53-F113 HydrophobicContact CD1-CZ 3.96Å
54	L	96.1	Very high	94.2	Very high	75 Å²	75	66 Å²	66	39%	0.393	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-39.4	177.8	-63.6	92.1	0	0	0	111.5	L7 I23 E25 Y52	L7-L54 HydrophobicContact CD2-CD1 4.13Å; I23-L54 HydrophobicContact CB-CB 4.41Å; I23-L54 HydrophobicContact CG2-CB 4.32Å; I23-L54 HydrophobicContact CG2-CD1 4.1Å; I23-L54 PolarHBondContact O-N 3.05Å; E25-L54 HydrophobicContact CB-CD1 3.56Å; Y52-L54 HydrophobicContact CD1-CD1 4.19Å; Y52-L54 HydrophobicContact CD1-CG 3.84Å; Y52-L54 HydrophobicContact CE1-CG 3.87Å; Y52-L54 PolarHBondContact O-N 2.9Å
55	S	95.6	Very high	94.2	Very high	54 Å²	54	72.9 Å²	72.9	38%	0.378	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	137.9	-178.9	-167.9	0	0	0	0	110.9	I22 I23	I22-S55 CarbonylContact C-O 3.59Å; I22-S55 VanDerWaalsContact CA-O 3.31Å; I22-S55 WeakPolarHBondContact CA-O 3.19Å; I23-S55 PolarHBondContact N-O 3.08Å; I23-S55 PolarHBondContact O-N 3.47Å
56	L	97.3	Very high	94	Very high	29 Å²	29	70.8 Å²	70.8	15%	0.152	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	117.4	166.3	173.5	62.4	0	0	0	107.8	I21 I22 I53 A68 L71 F107 Y108	I21-L56 WeakPolarHBondContact O-CA 3.42Å; I22-L56 HydrophobicContact CB-CD1 3.87Å; I22-L56 HydrophobicContact CD1-CD1 4.13Å; I22-L56 HydrophobicContact CG1-CB 4.46Å; I22-L56 HydrophobicContact CG1-CD1 4.1Å; I53-L56 HydrophobicContact CG2-CB 4.23Å; L56-A68 HydrophobicContact CD1-CB 4.29Å; L56-A68 HydrophobicContact CD2-CB 4.46Å; L56-A68 HydrophobicContact CG-CB 4.5Å; L56-L71 HydrophobicContact CD1-CB 4.14Å; L56-L71 HydrophobicContact CD1-CD1 4.11Å; L56-F107 HydrophobicContact CD2-CD1 4.27Å; L56-F107 HydrophobicContact CD2-CE1 3.39Å; L56-F107 HydrophobicContact CD2-CZ 3.92Å; L56-Y108 HydrophobicContact CD2-CE1 3.83Å
57	G	95.2	Very high	94.2	Very high	30 Å²	30	65.6 Å²	65.6	31%	0.309	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	147.6	-174.5	0	0	0	0	0	112.5	G20 I21	G20-G57 CarbonylContact C-O 3.57Å; G20-G57 WeakPolarHBondContact CA-O 3.34Å; I21-G57 PolarHBondContact N-O 3.04Å; I21-G57 PolarHBondContact O-N 3.29Å
58	V	95.9	Very high	94.2	Very high	22 Å²	22	63.1 Å²	63.1	13%	0.133	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.7	171.5	179.2	0	0	0	0	107.8	V19 W62 Q63 I67 A68	V19-V58 WeakPolarHBondContact O-CA 3.48Å; V19-V58 WeakPolarHBondContact O-CG1 3.15Å; V58-W62 HydrophobicContact CG1-CB 3.89Å; V58-Q63 HydrophobicContact CB-CG 4.11Å; V58-Q63 HydrophobicContact CG1-CG 4.1Å; V58-Q63 WeakPolarHBondContact O-CG 3.46Å; V58-Q63 PolarHBondContact O-NE2 3.28Å; V58-I67 HydrophobicContact CG1-CB 4.17Å; V58-I67 HydrophobicContact CG1-CD1 4.05Å; V58-I67 HydrophobicContact CG1-CG2 4.39Å; V58-I67 HydrophobicContact CG2-CB 3.98Å; V58-I67 HydrophobicContact CG2-CG2 3.87Å; V58-A68 HydrophobicContact CG2-CB 3.79Å
59	R	95.1	Very high	94	Very high	129 Å²	129	64.3 Å²	64.3	49%	0.487	31%	0.307	S	S	.	.			trans	-54.6	140.1	176.5	-74.9	-170.4	176.3	-115.2	-2.2	110.7	I18 V19 E61 W62 Q63	I18-R59 WeakPolarHBondContact O-CD 3.45Å; I18-R59 PolarHBondContact O-NE 3.12Å; V19-R59 PolarHBondContact O-N 3.07Å; R59-E61 PolarHBondContact O-N 3.38Å; R59-E61 VanDerWaalsContact O-N 3.11Å; R59-W62 CarbonylContact O-C 3.48Å; R59-W62 WeakPolarHBondContact O-CA 3.48Å; R59-W62 PolarHBondContact O-N 2.98Å; R59-Q63 WeakPolarHBondContact O-CG 3.23Å; R59-Q63 PolarHBondContact O-N 3.46Å; R59-Q63 VanDerWaalsContact O-N 3.07Å
60	K	91.5	Very high	94	Very high	169 Å²	169	71.2 Å²	71.2	74%	0.735	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-52	-39.6	-170.4	-170.8	177.3	179.1	-179.4	0	112.9	W62 Q63	K60-W62 PolarHBondContact O-N 3.37Å; K60-Q63 PolarHBondContact O-N 3.16Å
61	E	94	Very high	94.1	Very high	123 Å²	123	71.5 Å²	71.5	58%	0.575	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-71.1	-20.1	-178.3	-49.7	72	-150.3	0	0	113	R59 R65	R59-E61 PolarHBondContact O-N 3.38Å; R59-E61 VanDerWaalsContact O-N 3.11Å; E61-R65 PolarHBondContact O-NE 2.85Å; E61-R65 PolarHBondContact O-NH2 3.22Å; E61-R65 VanDerWaalsContact O-NH2 3.1Å
62	W	92.8	Very high	94.1	Very high	68 Å²	68	71.5 Å²	71.5	26%	0.258	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-108.1	-4	-176.7	-66.3	86.7	0	0	0	113.1	S14 V19 V58 R59 K60 I67	S14-W62 VanDerWaalsContact CB-CH2 3.47Å; S14-W62 WeakPolarHBondContact OG-CH2 3.33Å; V19-W62 HydrophobicContact CB-CB 4.17Å; V19-W62 HydrophobicContact CB-CD2 3.9Å; V19-W62 HydrophobicContact CB-CE3 4.38Å; V19-W62 HydrophobicContact CB-CG 3.78Å; V19-W62 HydrophobicContact CG1-CD2 3.56Å; V19-W62 VanDerWaalsContact CG1-CE2 3.46Å; V19-W62 HydrophobicContact CG1-CE3 4.15Å; V19-W62 HydrophobicContact CG1-CG 3.77Å; V19-W62 HydrophobicContact CG1-CZ2 4Å; V19-W62 HydrophobicContact CG2-CD2 4.5Å; V19-W62 HydrophobicContact CG2-CE3 4.49Å; V58-W62 HydrophobicContact CG1-CB 3.89Å; R59-W62 CarbonylContact O-C 3.48Å; R59-W62 WeakPolarHBondContact O-CA 3.48Å; R59-W62 PolarHBondContact O-N 2.98Å; K60-W62 PolarHBondContact O-N 3.37Å; W62-I67 HydrophobicContact CB-CD1 3.8Å; W62-I67 HydrophobicContact CE3-CD1 4.11Å
63	Q	89.3	Confident	93.9	Very high	96 Å²	96	75 Å²	75	45%	0.449	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	161	175.5	-73.1	177.4	7.3	0	0	111.3	V58 R59 K60 R65	V58-Q63 HydrophobicContact CB-CG 4.11Å; V58-Q63 HydrophobicContact CG1-CG 4.1Å; V58-Q63 WeakPolarHBondContact O-CG 3.46Å; V58-Q63 PolarHBondContact O-NE2 3.28Å; R59-Q63 WeakPolarHBondContact O-CG 3.23Å; R59-Q63 PolarHBondContact O-N 3.46Å; R59-Q63 VanDerWaalsContact O-N 3.07Å; K60-Q63 PolarHBondContact O-N 3.16Å; Q63-R65 PolarHBondContact O-N 3.01Å; Q63-R65 VanDerWaalsContact O-N 3.08Å
64	R	86.2	Confident	93.8	Very high	237 Å²	237	79.6 Å²	79.6	89%	0.894	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	11.4	178.8	-47.3	-60.1	-62.2	-174.6	-2.2	115.1
65	R	90	Very high	93.9	Very high	167 Å²	167	76 Å²	76	63%	0.63	36%	0.357	S	S	*	.	S	Bend	trans	-98.7	10.8	174	-57.1	179.9	-170.1	-136.2	5.6	114	E61 Q63 I67	E61-R65 PolarHBondContact O-NE 2.85Å; E61-R65 PolarHBondContact O-NH2 3.22Å; E61-R65 VanDerWaalsContact O-NH2 3.1Å; Q63-R65 PolarHBondContact O-N 3.01Å; Q63-R65 VanDerWaalsContact O-N 3.08Å; R65-I67 VanDerWaalsContact C-N 3.34Å; R65-I67 HydrophobicContact CB-CG1 4.41Å; R65-I67 PolarHBondContact O-N 3.44Å
66	G	90.3	Very high	93.8	Very high	33 Å²	33	74.7 Å²	74.7	34%	0.34	35%	0.345	S	S	.	.	S	Bend	trans	78.4	8.6	-179.7	0	0	0	0	0	115.7	S69 K70	G66-S69 WeakPolarHBondContact O-CB 3.41Å; G66-S69 PolarHBondContact O-N 2.93Å; G66-K70 PolarHBondContact O-N 2.81Å
67	I	95.1	Very high	93.6	Very high	26 Å²	26	76.7 Å²	76.7	13%	0.133	36%	0.361	C	S	.	.	H	α-helix	trans	-61.8	-53.1	-178.3	-61.2	173.6	0	0	0	111.6	A12 V19 V58 W62 R65 S69 K70 L71	A12-I67 HydrophobicContact CB-CG2 3.6Å; V19-I67 HydrophobicContact CG2-CD1 3.99Å; V58-I67 HydrophobicContact CG1-CB 4.17Å; V58-I67 HydrophobicContact CG1-CD1 4.05Å; V58-I67 HydrophobicContact CG1-CG2 4.39Å; V58-I67 HydrophobicContact CG2-CB 3.98Å; V58-I67 HydrophobicContact CG2-CG2 3.87Å; W62-I67 HydrophobicContact CB-CD1 3.8Å; W62-I67 HydrophobicContact CE3-CD1 4.11Å; R65-I67 VanDerWaalsContact C-N 3.34Å; R65-I67 HydrophobicContact CB-CG1 4.41Å; R65-I67 PolarHBondContact O-N 3.44Å; I67-S69 PolarHBondContact O-N 3.34Å; I67-K70 PolarHBondContact O-N 3.36Å; I67-L71 HydrophobicContact CG2-CD1 4.1Å; I67-L71 HydrophobicContact CG2-CG 4.44Å; I67-L71 WeakPolarHBondContact O-CG 3.46Å; I67-L71 PolarHBondContact O-N 3.42Å
68	A	94.1	Very high	93.5	Very high	20 Å²	20	78.2 Å²	78.2	17%	0.165	36%	0.358	C	S	.	.	H	α-helix	trans	-57.7	-39.5	177.7	0	0	0	0	0	112.1	L56 V58 K70 L71 L72 F107	L56-A68 HydrophobicContact CD1-CB 4.29Å; L56-A68 HydrophobicContact CD2-CB 4.46Å; L56-A68 HydrophobicContact CG-CB 4.5Å; V58-A68 HydrophobicContact CG2-CB 3.79Å; A68-K70 PolarHBondContact O-N 2.87Å; A68-L71 PolarHBondContact O-N 3.04Å; A68-L72 WeakPolarHBondContact O-CB 3.42Å; A68-L72 PolarHBondContact O-N 3.4Å; A68-F107 HydrophobicContact CB-CD2 4.41Å; A68-F107 HydrophobicContact CB-CE1 4.44Å; A68-F107 HydrophobicContact CB-CE2 3.66Å; A68-F107 HydrophobicContact CB-CZ 3.69Å
69	S	92.2	Very high	93.4	Very high	35 Å²	35	77.4 Å²	77.4	25%	0.245	35%	0.353	C	S	.	.	H	α-helix	trans	-59.8	-44.1	174.8	-69.4	0	0	0	0	112.1	G66 I67 H73 W111	G66-S69 WeakPolarHBondContact O-CB 3.41Å; G66-S69 PolarHBondContact O-N 2.93Å; I67-S69 PolarHBondContact O-N 3.34Å; S69-H73 VanDerWaalsContact O-CB 3.32Å; S69-H73 WeakPolarHBondContact O-CB 3.07Å; S69-H73 PolarHBondContact O-N 2.8Å; S69-W111 VanDerWaalsContact O-CZ2 3.26Å; S69-W111 WeakPolarHBondContact O-CZ2 3.16Å; S69-W111 PolarHBondContact OG-NE1 3.47Å
70	K	95.4	Very high	93.2	Very high	151 Å²	151	76.3 Å²	76.3	66%	0.657	36%	0.356	S	S	*	.	H	α-helix	trans	-65.5	-44.6	175.8	-71.5	-172.3	175.3	-162.5	0	111.9	G66 I67 A68 L72 H73 H74	G66-K70 PolarHBondContact O-N 2.81Å; I67-K70 PolarHBondContact O-N 3.36Å; A68-K70 PolarHBondContact O-N 2.87Å; K70-L72 PolarHBondContact O-N 2.82Å; K70-H73 WeakPolarHBondContact O-CB 3.45Å; K70-H73 PolarHBondContact O-N 2.93Å; K70-H74 PolarHBondContact O-CD2 3.41Å; K70-H74 PolarHBondContact O-N 2.74Å
71	L	97.8	Very high	93.1	Very high	7 Å²	7	72 Å²	72	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-58.7	-47.1	178.2	-69.1	173	0	0	0	111.7	L10 A12 I22 L56 I67 A68 H74 L75	L10-L71 HydrophobicContact CB-CD2 4.35Å; L10-L71 HydrophobicContact CD2-CD2 3.99Å; L10-L71 HydrophobicContact CG-CD2 3.93Å; A12-L71 HydrophobicContact CB-CD2 4.3Å; I22-L71 HydrophobicContact CB-CB 4.12Å; I22-L71 HydrophobicContact CG2-CB 3.87Å; I22-L71 HydrophobicContact CG2-CD2 4.17Å; I22-L71 HydrophobicContact CG2-CG 4.46Å; L56-L71 HydrophobicContact CD1-CB 4.14Å; L56-L71 HydrophobicContact CD1-CD1 4.11Å; I67-L71 HydrophobicContact CG2-CD1 4.1Å; I67-L71 HydrophobicContact CG2-CG 4.44Å; I67-L71 WeakPolarHBondContact O-CG 3.46Å; I67-L71 PolarHBondContact O-N 3.42Å; A68-L71 PolarHBondContact O-N 3.04Å; L71-H74 PolarHBondContact O-N 3.27Å; L71-L75 PolarHBondContact O-N 3.09Å; L71-L75 VanDerWaalsContact O-N 3.09Å
72	L	96.4	Very high	92.7	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-67.9	-37.2	178.1	-177.4	58.2	0	0	0	112.4	I22 I53 A68 K70 H74 L75 F76 F107 W111 F113	I22-L72 HydrophobicContact CD1-CD1 4.31Å; I53-L72 HydrophobicContact CD1-CD1 3.83Å; A68-L72 WeakPolarHBondContact O-CB 3.42Å; A68-L72 PolarHBondContact O-N 3.4Å; K70-L72 PolarHBondContact O-N 2.82Å; L72-H74 VanDerWaalsContact C-N 3.34Å; L72-H74 PolarHBondContact O-N 3.45Å; L72-L75 HydrophobicContact CD1-CD2 4.2Å; L72-L75 WeakPolarHBondContact O-CB 3.27Å; L72-L75 PolarHBondContact O-N 2.84Å; L72-F76 HydrophobicContact CD1-CD2 4.38Å; L72-F76 HydrophobicContact CD1-CE2 3.9Å; L72-F76 HydrophobicContact CD1-CZ 4.07Å; L72-F76 HydrophobicContact CD2-CE2 4.12Å; L72-F76 HydrophobicContact CG-CD2 4.11Å; L72-F76 HydrophobicContact CG-CE2 3.66Å; L72-F76 HydrophobicContact CG-CZ 4.3Å; L72-F76 WeakPolarHBondContact O-CD2 3.18Å; L72-F76 PolarHBondContact O-N 3.32Å; L72-F107 HydrophobicContact CB-CZ 4.33Å; L72-F107 HydrophobicContact CD2-CE1 3.74Å; L72-F107 HydrophobicContact CD2-CZ 3.85Å; L72-W111 HydrophobicContact CD2-CB 3.71Å; L72-W111 HydrophobicContact CD2-CD2 3.66Å; L72-W111 HydrophobicContact CD2-CE3 4.23Å; L72-W111 HydrophobicContact CD2-CG 3.39Å; L72-W111 HydrophobicContact CG-CD2 4.3Å; L72-W111 HydrophobicContact CG-CE3 4.5Å; L72-W111 HydrophobicContact CG-CG 4.49Å; L72-F113 HydrophobicContact CD1-CE2 4.28Å; L72-F113 HydrophobicContact CD1-CZ 4.29Å; L72-F113 HydrophobicContact CD2-CE2 3.99Å
73	H	93.8	Very high	92.4	Very high	99 Å²	99	74 Å²	74	46%	0.458	37%	0.365	S	S	.	.	H	α-helix	trans	-59.4	-45.2	173	-174.1	73.1	0	0	0	111.7	S69 K70 L75 F76 S77 W111	S69-H73 VanDerWaalsContact O-CB 3.32Å; S69-H73 WeakPolarHBondContact O-CB 3.07Å; S69-H73 PolarHBondContact O-N 2.8Å; K70-H73 WeakPolarHBondContact O-CB 3.45Å; K70-H73 PolarHBondContact O-N 2.93Å; H73-L75 VanDerWaalsContact C-N 3.32Å; H73-L75 PolarHBondContact O-N 2.91Å; H73-F76 PolarHBondContact O-N 3.5Å; H73-F76 VanDerWaalsContact O-N 3.17Å; H73-S77 PolarHBondContact O-N 2.83Å; H73-S77 PolarHBondContact O-OG 3Å; H73-W111 HydrophobicContact CB-CH2 3.94Å
74	H	96.5	Very high	92.3	Very high	101 Å²	101	71.2 Å²	71.2	47%	0.468	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-36.7	176	-78.4	-68.2	0	0	0	112.8	W8 L10 K70 L71 L72 S77 Y78	W8-H74 HydrophobicContact CH2-CB 4.34Å; L10-H74 HydrophobicContact CD2-CB 3.5Å; L10-H74 VanDerWaalsContact CD2-CB 3.5Å; K70-H74 PolarHBondContact O-CD2 3.41Å; K70-H74 PolarHBondContact O-N 2.74Å; L71-H74 PolarHBondContact O-N 3.27Å; L72-H74 VanDerWaalsContact C-N 3.34Å; L72-H74 PolarHBondContact O-N 3.45Å; H74-S77 PolarHBondContact O-N 2.99Å; H74-Y78 WeakPolarHBondContact O-CB 3.49Å; H74-Y78 PolarHBondContact O-N 3.14Å
75	L	96.7	Very high	92.2	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-47.9	171.8	175.5	62.3	0	0	0	110.9	W8 I22 A24 I53 L71 L72 H73 S77 Y78 I79 V93	W8-L75 HydrophobicContact CD2-CD1 4.17Å; W8-L75 HydrophobicContact CE3-CB 4.42Å; W8-L75 HydrophobicContact CE3-CD1 3.55Å; W8-L75 HydrophobicContact CH2-CB 3.83Å; W8-L75 HydrophobicContact CH2-CD1 4.36Å; W8-L75 HydrophobicContact CZ3-CB 3.62Å; W8-L75 HydrophobicContact CZ3-CD1 3.65Å; W8-L75 HydrophobicContact CZ3-CG 4.16Å; I22-L75 HydrophobicContact CD1-CB 4.01Å; I22-L75 HydrophobicContact CD1-CD2 3.76Å; A24-L75 HydrophobicContact CB-CD1 3.68Å; A24-L75 HydrophobicContact CB-CD2 3.96Å; I53-L75 HydrophobicContact CD1-CD2 3.75Å; I53-L75 HydrophobicContact CG1-CD2 3.69Å; L71-L75 PolarHBondContact O-N 3.09Å; L71-L75 VanDerWaalsContact O-N 3.09Å; L72-L75 HydrophobicContact CD1-CD2 4.2Å; L72-L75 WeakPolarHBondContact O-CB 3.27Å; L72-L75 PolarHBondContact O-N 2.84Å; H73-L75 VanDerWaalsContact C-N 3.32Å; H73-L75 PolarHBondContact O-N 2.91Å; L75-S77 PolarHBondContact O-N 2.89Å; L75-Y78 WeakPolarHBondContact O-CB 3.43Å; L75-Y78 PolarHBondContact O-N 2.87Å; L75-I79 HydrophobicContact CD1-CG2 3.91Å; L75-I79 WeakPolarHBondContact O-CG1 3.41Å; L75-I79 PolarHBondContact O-N 3.46Å; L75-V93 HydrophobicContact CD2-CG1 4.4Å
76	F	94.4	Very high	91.9	Very high	27 Å²	27	58.4 Å²	58.4	12%	0.118	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-45	177.7	-74.2	-47	0	0	0	112.3	L72 H73 Y78 I79 D80 V93 W111 F113 N137 L139	L72-F76 HydrophobicContact CD1-CD2 4.38Å; L72-F76 HydrophobicContact CD1-CE2 3.9Å; L72-F76 HydrophobicContact CD1-CZ 4.07Å; L72-F76 HydrophobicContact CD2-CE2 4.12Å; L72-F76 HydrophobicContact CG-CD2 4.11Å; L72-F76 HydrophobicContact CG-CE2 3.66Å; L72-F76 HydrophobicContact CG-CZ 4.3Å; L72-F76 WeakPolarHBondContact O-CD2 3.18Å; L72-F76 PolarHBondContact O-N 3.32Å; H73-F76 PolarHBondContact O-N 3.5Å; H73-F76 VanDerWaalsContact O-N 3.17Å; F76-Y78 VanDerWaalsContact C-N 3.28Å; F76-Y78 PolarHBondContact O-N 3.23Å; F76-I79 HydrophobicContact CD1-CD1 4.03Å; F76-I79 WeakPolarHBondContact O-CG1 3.32Å; F76-I79 PolarHBondContact O-N 2.99Å; F76-D80 WeakPolarHBondContact O-CB 3.28Å; F76-D80 PolarHBondContact O-N 3.43Å; F76-V93 HydrophobicContact CD1-CG2 4.23Å; F76-V93 HydrophobicContact CE1-CB 4.3Å; F76-V93 HydrophobicContact CE1-CG2 3.72Å; F76-W111 HydrophobicContact CD2-CE3 4.1Å; F76-W111 HydrophobicContact CD2-CZ3 4.03Å; F76-W111 AromaticContact CE2-CE3 3.67Å; F76-W111 HydrophobicContact CE2-CE3 3.67Å; F76-W111 HydrophobicContact CE2-CZ3 4.09Å; F76-F113 HydrophobicContact CE2-CE2 4.45Å; F76-F113 AromaticContact CZ-CE2 3.75Å; F76-F113 HydrophobicContact CZ-CE2 3.75Å; F76-F113 HydrophobicContact CZ-CZ 4.02Å; F76-N137 WeakPolarHBondContact CZ-ND2 3.37Å; F76-L139 HydrophobicContact CD1-CD1 4.34Å; F76-L139 HydrophobicContact CE1-CD1 4.39Å
77	S	92.8	Very high	91.7	Very high	70 Å²	70	61.8 Å²	61.8	49%	0.49	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-36	175.7	-60.5	0	0	0	0	112.7	H73 H74 L75	H73-S77 PolarHBondContact O-N 2.83Å; H73-S77 PolarHBondContact O-OG 3Å; H74-S77 PolarHBondContact O-N 2.99Å; L75-S77 PolarHBondContact O-N 2.89Å
78	Y	93.7	Very high	91.4	Very high	63 Å²	63	62.2 Å²	62.2	25%	0.247	34%	0.343	C	S	.	.	H	α-helix	trans	-63.8	-56.1	175.5	174.8	-107	0	0	0	110.3	W8 L26 H74 L75 F76 D80 N81 I84	W8-Y78 HydrophobicContact CB-CD1 4.4Å; W8-Y78 HydrophobicContact CB-CE1 3.86Å; W8-Y78 AromaticContact CD1-CD1 3.5Å; W8-Y78 AromaticContact CD1-CD2 3.78Å; W8-Y78 AromaticContact CD1-CE1 3.27Å; W8-Y78 AromaticContact CD1-CE2 3.55Å; W8-Y78 AromaticContact CD1-CG 3.76Å; W8-Y78 AromaticContact CD1-CZ 3.3Å; W8-Y78 HydrophobicContact CD2-CD1 4.07Å; W8-Y78 HydrophobicContact CD2-CE1 4.37Å; W8-Y78 HydrophobicContact CD2-CG 4.48Å; W8-Y78 AromaticContact CE2-CD1 3.99Å; W8-Y78 AromaticContact CE2-CG 3.92Å; W8-Y78 AromaticContact CG-CD1 3.76Å; W8-Y78 HydrophobicContact CG-CD1 3.76Å; W8-Y78 AromaticContact CG-CE1 3.57Å; W8-Y78 HydrophobicContact CG-CE1 3.57Å; W8-Y78 HydrophobicContact CG-CG 4.36Å; W8-Y78 AromaticContact NE1-CD1 3.62Å; W8-Y78 AromaticContact NE1-CD2 3.48Å; W8-Y78 AromaticContact NE1-CE1 3.87Å; W8-Y78 AromaticContact NE1-CE2 3.73Å; W8-Y78 AromaticContact NE1-CG 3.43Å; W8-Y78 AromaticContact NE1-CZ 3.93Å; L26-Y78 HydrophobicContact CD1-CE1 4.31Å; H74-Y78 WeakPolarHBondContact O-CB 3.49Å; H74-Y78 PolarHBondContact O-N 3.14Å; L75-Y78 WeakPolarHBondContact O-CB 3.43Å; L75-Y78 PolarHBondContact O-N 2.87Å; F76-Y78 VanDerWaalsContact C-N 3.28Å; F76-Y78 PolarHBondContact O-N 3.23Å; Y78-D80 VanDerWaalsContact C-N 3.3Å; Y78-D80 PolarHBondContact O-N 3.03Å; Y78-N81 WeakPolarHBondContact O-CB 3.23Å; Y78-N81 PolarHBondContact O-N 3.42Å; Y78-I84 HydrophobicContact CD1-CD1 3.48Å; Y78-I84 VanDerWaalsContact CD1-CD1 3.48Å; Y78-I84 HydrophobicContact CD2-CD1 3.82Å; Y78-I84 HydrophobicContact CE1-CD1 3.26Å; Y78-I84 HydrophobicContact CE1-CG1 4.14Å; Y78-I84 HydrophobicContact CE2-CD1 3.63Å; Y78-I84 HydrophobicContact CE2-CG1 4.28Å; Y78-I84 HydrophobicContact CG-CD1 3.75Å; Y78-I84 WeakPolarHBondContact O-CD1 3.34Å
79	I	93.9	Very high	91.4	Very high	4 Å²	4	68 Å²	68	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-73.6	-14.8	-174.1	68.3	179	0	0	0	115.3	L26 C51 L75 F76 N81 I90 V93 L139	L26-I79 HydrophobicContact CD2-CG2 4.06Å; C51-I79 HydrophobicContact CB-CD1 4.43Å; L75-I79 HydrophobicContact CD1-CG2 3.91Å; L75-I79 WeakPolarHBondContact O-CG1 3.41Å; L75-I79 PolarHBondContact O-N 3.46Å; F76-I79 HydrophobicContact CD1-CD1 4.03Å; F76-I79 WeakPolarHBondContact O-CG1 3.32Å; F76-I79 PolarHBondContact O-N 2.99Å; I79-N81 PolarHBondContact O-N 3.24Å; I79-I90 HydrophobicContact CB-CD1 3.88Å; I79-I90 HydrophobicContact CB-CG1 4.49Å; I79-I90 HydrophobicContact CG2-CD1 3.97Å; I79-V93 HydrophobicContact CD1-CG2 3.21Å; I79-L139 HydrophobicContact CD1-CD1 3.62Å; I79-L139 HydrophobicContact CG1-CD1 4.37Å
80	D	90	Very high	91.5	Very high	106 Å²	106	66.5 Å²	66.5	57%	0.567	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.3	174.7	-161.8	47.5	0	0	0	112	F76 Y78 P82	F76-D80 WeakPolarHBondContact O-CB 3.28Å; F76-D80 PolarHBondContact O-N 3.43Å; Y78-D80 VanDerWaalsContact C-N 3.3Å; Y78-D80 PolarHBondContact O-N 3.03Å; D80-P82 WeakPolarHBondContact O-CD 3.31Å
81	N	89.5	Confident	91.4	Very high	79 Å²	79	63.3 Å²	63.3	42%	0.422	33%	0.333	S	S	.	.			trans	-64.8	117.3	173.2	-176.1	-8	0	0	0	110.8	Y78 I79 L83 I84	Y78-N81 WeakPolarHBondContact O-CB 3.23Å; Y78-N81 PolarHBondContact O-N 3.42Å; I79-N81 PolarHBondContact O-N 3.24Å; N81-L83 PolarHBondContact O-N 3.31Å; N81-L83 VanDerWaalsContact O-N 3.12Å; N81-L83 WeakPolarHBondContact OD1-CB 3.44Å; N81-L83 PolarHBondContact OD1-N 2.9Å; N81-I84 WeakPolarHBondContact O-CB 3.37Å; N81-I84 PolarHBondContact O-N 3.05Å
82	P	85.1	Confident	91.3	Very high	81 Å²	81	63 Å²	63	53%	0.526	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.7	-178.8	27.7	-35.5	0	0	0	113.9	D80 I84 R89	D80-P82 WeakPolarHBondContact O-CD 3.31Å; P82-I84 VanDerWaalsContact C-N 3.34Å; P82-R89 HydrophobicContact CB-CG 4.36Å
83	L	87.3	Confident	91.3	Very high	151 Å²	151	63 Å²	63	79%	0.791	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-6	-179.5	-58.9	177.3	0	0	0	113.6	N81 S85	N81-L83 PolarHBondContact O-N 3.31Å; N81-L83 VanDerWaalsContact O-N 3.12Å; N81-L83 WeakPolarHBondContact OD1-CB 3.44Å; N81-L83 PolarHBondContact OD1-N 2.9Å; L83-S85 PolarHBondContact O-N 2.88Å
84	I	86.6	Confident	91.4	Very high	38 Å²	38	58.2 Å²	58.2	20%	0.195	31%	0.309	C	S	.	.	S	Bend	trans	-70.6	-23.2	-173.3	-127.5	167.8	0	0	0	113.3	L26 Y78 N81 P82 I90	L26-I84 HydrophobicContact CD1-CD1 4.49Å; L26-I84 HydrophobicContact CD1-CG1 4.29Å; L26-I84 HydrophobicContact CD1-CG2 3.97Å; Y78-I84 HydrophobicContact CD1-CD1 3.48Å; Y78-I84 VanDerWaalsContact CD1-CD1 3.48Å; Y78-I84 HydrophobicContact CD2-CD1 3.82Å; Y78-I84 HydrophobicContact CE1-CD1 3.26Å; Y78-I84 HydrophobicContact CE1-CG1 4.14Å; Y78-I84 HydrophobicContact CE2-CD1 3.63Å; Y78-I84 HydrophobicContact CE2-CG1 4.28Å; Y78-I84 HydrophobicContact CG-CD1 3.75Å; Y78-I84 WeakPolarHBondContact O-CD1 3.34Å; N81-I84 WeakPolarHBondContact O-CB 3.37Å; N81-I84 PolarHBondContact O-N 3.05Å; P82-I84 VanDerWaalsContact C-N 3.34Å; I84-I90 HydrophobicContact CG2-CD1 3.96Å; I84-I90 HydrophobicContact CG2-CG1 4.19Å
85	S	85.1	Confident	91.5	Very high	23 Å²	23	53.5 Å²	53.5	16%	0.161	29%	0.287	C	S	.	.			trans	-136.5	127.8	-178	162.7	0	0	0	0	109.5	P49 L83 H87 G88	P49-S85 WeakPolarHBondContact CB-OG 3.19Å; P49-S85 WeakPolarHBondContact CG-OG 3.37Å; L83-S85 PolarHBondContact O-N 2.88Å; S85-H87 PolarHBondContact O-N 3.4Å; S85-H87 PolarHBondContact OG-N 3.31Å; S85-G88 WeakPolarHBondContact CB-O 3.31Å; S85-G88 PolarHBondContact O-N 2.86Å; S85-G88 PolarHBondContact OG-O 3.33Å
86	S	84	Confident	91.5	Very high	112 Å²	112	54.1 Å²	54.1	78%	0.783	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.3	174.4	52	0	0	0	0	113	G88	S86-G88 PolarHBondContact O-N 2.84Å
87	H	85.3	Confident	91.5	Very high	105 Å²	105	53.1 Å²	53.1	49%	0.486	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	16.5	-178.6	-58.3	96	0	0	0	113.3	T47 P49 S85	T47-H87 VanDerWaalsContact O-CB 3.26Å; T47-H87 WeakPolarHBondContact O-CB 3.46Å; P49-H87 HydrophobicContact CG-CB 4.48Å; S85-H87 PolarHBondContact O-N 3.4Å; S85-H87 PolarHBondContact OG-N 3.31Å
88	G	89.3	Confident	91.5	Very high	35 Å²	35	51.6 Å²	51.6	36%	0.361	27%	0.273	S	S	.	.			trans	95	-166.3	-179.8	0	0	0	0	0	113.8	P49 S85 S86	P49-G88 VanDerWaalsContact CG-O 3.32Å; P49-G88 WeakPolarHBondContact CG-O 3.39Å; S85-G88 WeakPolarHBondContact CB-O 3.31Å; S85-G88 PolarHBondContact O-N 2.86Å; S85-G88 PolarHBondContact OG-O 3.33Å; S86-G88 PolarHBondContact O-N 2.84Å
89	R	92.9	Very high	91.1	Very high	142 Å²	142	50.2 Å²	50.2	54%	0.536	27%	0.271	S	S	.	.	S	Bend	trans	-73.3	139.9	-175.1	-73	-164.9	-102.4	-178.8	-11.2	112.4	P82 R91 N140	P82-R89 HydrophobicContact CB-CG 4.36Å; R89-R91 PolarHBondContact O-N 3.24Å; R89-R91 PolarHBondContact O-NE 2.84Å; R89-N140 HydrophobicContact CB-CB 4.12Å; R89-N140 PolarHBondContact NH1-OD1 3.4Å
90	I	95	Very high	90.7	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	30%	0.3	C	S	.	.			trans	-57.9	128.1	174.9	-53.8	-151.1	0	0	0	110	L26 P49 C51 I79 I84 C92 N140	L26-I90 HydrophobicContact CD1-CD1 4.46Å; L26-I90 HydrophobicContact CD2-CD1 3.49Å; L26-I90 VanDerWaalsContact CD2-CD1 3.49Å; P49-I90 HydrophobicContact CB-CG1 4.39Å; P49-I90 WeakPolarHBondContact O-CA 3.4Å; C51-I90 HydrophobicContact CB-CD1 4.3Å; C51-I90 HydrophobicContact CB-CG2 4.08Å; I79-I90 HydrophobicContact CB-CD1 3.88Å; I79-I90 HydrophobicContact CB-CG1 4.49Å; I79-I90 HydrophobicContact CG2-CD1 3.97Å; I84-I90 HydrophobicContact CG2-CD1 3.96Å; I84-I90 HydrophobicContact CG2-CG1 4.19Å; I90-C92 VanDerWaalsContact CG2-O 3.3Å; I90-C92 WeakPolarHBondContact CG2-O 3.45Å; I90-N140 PolarHBondContact O-ND2 3.1Å
91	R	93.5	Very high	90.8	Very high	84 Å²	84	52.4 Å²	52.4	32%	0.317	29%	0.29	S	S	.	.			trans	-96.2	-20.3	-174.8	-62.2	-58.1	-179.8	148.5	9.6	114.3	L40 F44 T48 P49 R89 L139 N140	L40-R91 HydrophobicContact CD1-CB 3.91Å; L40-R91 HydrophobicContact CD2-CB 4.07Å; F44-R91 HydrophobicContact CD1-CG 4.2Å; F44-R91 HydrophobicContact CE1-CG 4.03Å; T48-R91 HydrophobicContact CG2-CB 3.91Å; T48-R91 HydrophobicContact CG2-CG 3.39Å; P49-R91 PolarHBondContact O-N 3.26Å; R89-R91 PolarHBondContact O-N 3.24Å; R89-R91 PolarHBondContact O-NE 2.84Å; R91-L139 CarbonylContact C-O 3.57Å; R91-L139 WeakPolarHBondContact CA-O 3.32Å; R91-L139 PolarHBondContact O-N 2.89Å; R91-N140 PolarHBondContact NH1-O 3.5Å
92	C	95	Very high	90.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	158.6	171.1	64.5	0	0	0	0	112.6	L40 V50 C51 I90 V136 N137 Y138	L40-C92 HydrophobicContact CD2-CB 4.38Å; V50-C92 VanDerWaalsContact CG1-SG 3.54Å; C51-C92 PolarHBondContact N-O 3.43Å; I90-C92 VanDerWaalsContact CG2-O 3.3Å; I90-C92 WeakPolarHBondContact CG2-O 3.45Å; C92-V136 HydrophobicContact CB-CG1 3.71Å; C92-N137 CarbonylContact C-O 3.6Å; C92-N137 WeakPolarHBondContact CA-O 3.33Å; C92-N137 WeakPolarHBondContact CB-O 3.23Å; C92-Y138 HydrophobicContact CB-CD1 4.24Å
93	V	96.7	Very high	90.6	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.2	161.2	-172.5	0	0	0	0	107.7	C51 I53 L75 F76 I79 F113 V136 N137 L139	C51-V93 HydrophobicContact CB-CB 4.47Å; C51-V93 HydrophobicContact CB-CG1 4.35Å; C51-V93 HydrophobicContact CB-CG2 4.07Å; C51-V93 CarbonylContact O-C 3.55Å; C51-V93 WeakPolarHBondContact O-CA 3.49Å; I53-V93 HydrophobicContact CD1-CG1 3.67Å; I53-V93 HydrophobicContact CG1-CG1 3.74Å; L75-V93 HydrophobicContact CD2-CG1 4.4Å; F76-V93 HydrophobicContact CD1-CG2 4.23Å; F76-V93 HydrophobicContact CE1-CB 4.3Å; F76-V93 HydrophobicContact CE1-CG2 3.72Å; I79-V93 HydrophobicContact CD1-CG2 3.21Å; V93-F113 HydrophobicContact CB-CE1 4.05Å; V93-F113 HydrophobicContact CB-CZ 4.09Å; V93-F113 HydrophobicContact CG1-CE1 3.88Å; V93-F113 HydrophobicContact CG1-CZ 3.81Å; V93-F113 WeakPolarHBondContact O-CE1 3.35Å; V93-V136 CarbonylContact O-C 3.56Å; V93-V136 WeakPolarHBondContact O-CA 3.21Å; V93-N137 HydrophobicContact CB-CB 4.35Å; V93-N137 PolarHBondContact N-O 3.06Å; V93-N137 PolarHBondContact O-N 2.94Å; V93-L139 HydrophobicContact CG2-CD1 3.7Å
94	F	97.1	Very high	90.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	161.5	178.4	76.1	-74.6	0	0	0	112.6	D36 I39 V50 C51 Y52 I53 T134 Y135 V136	D36-F94 HydrophobicContact CB-CE2 4.1Å; I39-F94 HydrophobicContact CD1-CD1 3.65Å; I39-F94 HydrophobicContact CD1-CD2 4.38Å; I39-F94 HydrophobicContact CD1-CE1 3.66Å; I39-F94 HydrophobicContact CD1-CE2 4.39Å; I39-F94 HydrophobicContact CD1-CG 4.03Å; I39-F94 HydrophobicContact CD1-CZ 4.04Å; I39-F94 HydrophobicContact CG2-CD2 4.35Å; I39-F94 HydrophobicContact CG2-CG 4.48Å; V50-F94 HydrophobicContact CB-CE1 4.33Å; V50-F94 HydrophobicContact CG2-CE1 3.94Å; C51-F94 WeakPolarHBondContact O-CD1 3.49Å; C51-F94 PolarHBondContact O-N 3.36Å; Y52-F94 CarbonylContact C-O 3.57Å; Y52-F94 WeakPolarHBondContact CA-O 3.47Å; Y52-F94 HydrophobicContact CD2-CD1 4.37Å; Y52-F94 AromaticContact CD2-CD2 3.7Å; Y52-F94 HydrophobicContact CD2-CD2 3.7Å; Y52-F94 HydrophobicContact CD2-CE1 4.06Å; Y52-F94 AromaticContact CD2-CE2 3.33Å; Y52-F94 HydrophobicContact CD2-CE2 3.33Å; Y52-F94 HydrophobicContact CD2-CG 4.21Å; Y52-F94 AromaticContact CD2-CZ 3.54Å; Y52-F94 HydrophobicContact CD2-CZ 3.54Å; Y52-F94 WeakPolarHBondContact CD2-O 2.82Å; Y52-F94 HydrophobicContact CE2-CD2 4.18Å; Y52-F94 AromaticContact CE2-CE2 3.85Å; Y52-F94 HydrophobicContact CE2-CE2 3.85Å; Y52-F94 HydrophobicContact CE2-CZ 4.42Å; Y52-F94 HydrophobicContact CG-CE1 4.23Å; Y52-F94 HydrophobicContact CG-CE2 4.08Å; Y52-F94 AromaticContact CG-CZ 3.81Å; Y52-F94 HydrophobicContact CG-CZ 3.81Å; I53-F94 PolarHBondContact N-O 3.05Å; F94-T134 HydrophobicContact CD2-CG2 4.24Å; F94-Y135 CarbonylContact C-O 3.58Å; F94-Y135 WeakPolarHBondContact CA-O 3.35Å; F94-Y135 WeakPolarHBondContact CB-O 3.42Å; F94-V136 HydrophobicContact CB-CB 4.41Å; F94-V136 HydrophobicContact CB-CG1 4.36Å; F94-V136 HydrophobicContact CB-CG2 3.93Å
95	L	97.6	Very high	90.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	162.5	-178.3	66.6	91.9	0	0	0	111.8	I53 V97 Y108 F113 T134 Y135	I53-L95 HydrophobicContact CB-CB 4.01Å; I53-L95 HydrophobicContact CD1-CD2 4.12Å; L95-V97 HydrophobicContact CD1-CB 3.84Å; L95-V97 HydrophobicContact CD1-CG1 4.12Å; L95-Y108 HydrophobicContact CD1-CD2 3.72Å; L95-Y108 HydrophobicContact CD1-CE1 4.37Å; L95-Y108 HydrophobicContact CD1-CE2 3.43Å; L95-Y108 VanDerWaalsContact CD1-CE2 3.43Å; L95-Y108 HydrophobicContact CD1-CG 4.3Å; L95-Y108 HydrophobicContact CD2-CD1 3.45Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.45Å; L95-Y108 HydrophobicContact CD2-CD2 4.08Å; L95-Y108 HydrophobicContact CD2-CE1 3.25Å; L95-Y108 HydrophobicContact CD2-CE2 3.9Å; L95-Y108 HydrophobicContact CD2-CG 3.87Å; L95-Y108 VanDerWaalsContact CD2-CZ 3.49Å; L95-Y108 HydrophobicContact CG-CE1 4.45Å; L95-Y108 HydrophobicContact CG-CE2 4.34Å; L95-F113 HydrophobicContact CD2-CD1 3.84Å; L95-F113 HydrophobicContact CD2-CE1 3.65Å; L95-F113 HydrophobicContact CD2-CZ 4.18Å; L95-F113 HydrophobicContact CG-CD1 4.4Å; L95-F113 HydrophobicContact CG-CE1 4.43Å; L95-T134 CarbonylContact O-C 3.57Å; L95-T134 WeakPolarHBondContact O-CA 3.24Å; L95-Y135 PolarHBondContact N-O 2.78Å; L95-Y135 PolarHBondContact O-N 3.42Å
96	H	96.1	Very high	90.6	Very high	13 Å²	13	50.5 Å²	50.5	6%	0.06	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.6	170.7	-64.6	107	0	0	0	110.1	D36 Y52 L119 Y122 Y123 S132 F133 T134	D36-H96 IonicContact OD1-CE1 2.81Å; D36-H96 PolarHBondContact OD1-CE1 3.49Å; D36-H96 IonicContact OD1-NE2 3.31Å; D36-H96 PolarHBondContact OD1-NE2 3.08Å; D36-H96 IonicContact OD2-CE1 3.27Å; D36-H96 PolarHBondContact OD2-CE1 3.19Å; D36-H96 IonicContact OD2-NE2 3.82Å; Y52-H96 AromaticContact CE2-CE1 3.84Å; Y52-H96 AromaticContact CE2-ND1 3.37Å; Y52-H96 WeakPolarHBondContact CE2-ND1 3.32Å; Y52-H96 AromaticContact CZ-ND1 3.55Å; Y52-H96 PolarHBondContact OH-ND1 3.36Å; H96-L119 VanDerWaalsContact CD2-CD1 3.49Å; H96-L119 WeakPolarHBondContact CD2-CD1 3.06Å; H96-L119 WeakPolarHBondContact NE2-CD1 3.49Å; H96-Y122 HydrophobicContact CB-CD1 4.46Å; H96-Y122 HydrophobicContact CB-CE1 3.75Å; H96-Y122 PolarHBondContact CE1-OH 3.3Å; H96-Y122 AromaticContact CG-CE1 3.8Å; H96-Y122 AromaticContact CG-CZ 3.65Å; H96-Y122 AromaticContact ND1-CZ 3.66Å; H96-Y122 PolarHBondContact ND1-OH 3.44Å; H96-Y123 VanDerWaalsContact C-OH 3.32Å; H96-Y123 VanDerWaalsContact CB-OH 3.26Å; H96-Y123 WeakPolarHBondContact CB-OH 3.25Å; H96-Y123 PolarHBondContact O-OH 3.34Å; H96-Y123 VanDerWaalsContact O-OH 3.11Å; H96-S132 WeakPolarHBondContact CB-OG 3.04Å; H96-F133 WeakPolarHBondContact CA-O 3.21Å; H96-T134 PolarHBondContact CD2-OG1 2.87Å; H96-T134 PolarHBondContact NE2-OG1 2.87Å; H96-T134 VanDerWaalsContact NE2-OG1 3.11Å
97	V	95.4	Very high	90.9	Very high	7 Å²	7	47 Å²	47	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134.7	177.8	62.4	0	0	0	0	110.2	L95 V99 N101 A104 I105 Y108 S132 F133 Y135	L95-V97 HydrophobicContact CD1-CB 3.84Å; L95-V97 HydrophobicContact CD1-CG1 4.12Å; V97-V99 PolarHBondContact O-N 2.96Å; V97-N101 HydrophobicContact CG2-CB 4.16Å; V97-A104 HydrophobicContact CG2-CB 3.7Å; V97-I105 HydrophobicContact CG1-CG1 4.05Å; V97-I105 HydrophobicContact CG2-CG1 4.27Å; V97-Y108 HydrophobicContact CB-CD2 4.39Å; V97-Y108 HydrophobicContact CB-CE2 4.13Å; V97-Y108 HydrophobicContact CG1-CD2 4.5Å; V97-Y108 HydrophobicContact CG2-CD2 4.37Å; V97-Y108 HydrophobicContact CG2-CE2 4.06Å; V97-S132 PolarHBondContact N-OG 3.13Å; V97-S132 VanDerWaalsContact N-OG 3.16Å; V97-S132 CarbonylContact O-C 3.51Å; V97-S132 WeakPolarHBondContact O-CA 3.41Å; V97-S132 PolarHBondContact O-OG 3Å; V97-F133 HydrophobicContact CG1-CB 4.17Å; V97-F133 PolarHBondContact N-O 2.71Å; V97-F133 PolarHBondContact O-N 3.15Å; V97-Y135 HydrophobicContact CG1-CD2 3.49Å; V97-Y135 VanDerWaalsContact CG1-CD2 3.49Å; V97-Y135 HydrophobicContact CG1-CE2 3.8Å; V97-Y135 HydrophobicContact CG1-CG 4.37Å
98	L	93.3	Very high	91.2	Very high	37 Å²	37	42.8 Å²	42.8	19%	0.194	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	133.9	174.1	-76.3	165.1	0	0	0	110.9	S100 N101 Y123 I125 H130	L98-S100 PolarHBondContact O-N 3.15Å; L98-N101 HydrophobicContact CB-CB 3.94Å; L98-N101 WeakPolarHBondContact O-CB 3.22Å; L98-N101 PolarHBondContact O-N 3.32Å; L98-Y123 HydrophobicContact CD2-CD2 3.33Å; L98-Y123 HydrophobicContact CD2-CE2 4Å; L98-Y123 HydrophobicContact CD2-CG 3.89Å; L98-Y123 HydrophobicContact CG-CD2 3.83Å; L98-Y123 HydrophobicContact CG-CE2 3.99Å; L98-Y123 HydrophobicContact CG-CG 4.49Å; L98-I125 HydrophobicContact CD1-CD1 3.73Å; L98-I125 HydrophobicContact CD2-CD1 3.89Å; L98-I125 HydrophobicContact CG-CD1 4.38Å; L98-H130 HydrophobicContact CD2-CB 3.66Å
99	V	85.4	Confident	90.9	Very high	35 Å²	35	42.4 Å²	42.4	21%	0.212	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.7	175.7	172.3	0	0	0	0	111.4	V97 N101 I105 R118 D131 F133	V97-V99 PolarHBondContact O-N 2.96Å; V99-N101 VanDerWaalsContact C-N 3.3Å; V99-N101 PolarHBondContact O-N 3.22Å; V99-I105 WeakPolarHBondContact O-CD1 3.3Å; V99-R118 HydrophobicContact CG2-CG 4.32Å; V99-D131 HydrophobicContact CG2-CB 3.77Å; V99-D131 PolarHBondContact N-O 3.49Å; V99-D131 VanDerWaalsContact N-O 3.14Å; V99-F133 HydrophobicContact CB-CD2 4.3Å; V99-F133 HydrophobicContact CB-CE2 3.94Å; V99-F133 HydrophobicContact CB-CZ 4.38Å; V99-F133 HydrophobicContact CG1-CE2 3.73Å; V99-F133 HydrophobicContact CG1-CZ 3.93Å; V99-F133 HydrophobicContact CG2-CD1 4.28Å; V99-F133 HydrophobicContact CG2-CD2 3.81Å; V99-F133 HydrophobicContact CG2-CE1 4.14Å; V99-F133 HydrophobicContact CG2-CE2 3.66Å; V99-F133 HydrophobicContact CG2-CG 4.12Å; V99-F133 HydrophobicContact CG2-CZ 3.84Å
100	S	85.6	Confident	90.2	Very high	90 Å²	90	40.6 Å²	40.6	63%	0.629	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.9	178.4	57.9	0	0	0	0	114.5	L98 E102	L98-S100 PolarHBondContact O-N 3.15Å; S100-E102 VanDerWaalsContact C-N 3.31Å; S100-E102 PolarHBondContact O-N 3.21Å
101	N	90.5	Very high	89.8	Confident	66 Å²	66	42.6 Å²	42.6	35%	0.353	22%	0.215	S	C	.	.			trans	-88	67.8	-176.4	-168.5	-13.2	0	0	0	111.7	V97 L98 V99 A103 A104 I105	V97-N101 HydrophobicContact CG2-CB 4.16Å; L98-N101 HydrophobicContact CB-CB 3.94Å; L98-N101 WeakPolarHBondContact O-CB 3.22Å; L98-N101 PolarHBondContact O-N 3.32Å; V99-N101 VanDerWaalsContact C-N 3.3Å; V99-N101 PolarHBondContact O-N 3.22Å; N101-A103 PolarHBondContact O-N 2.97Å; N101-A103 VanDerWaalsContact O-N 3.13Å; N101-A104 HydrophobicContact CB-CB 4.28Å; N101-A104 VanDerWaalsContact CG-CB 3.41Å; N101-A104 WeakPolarHBondContact ND2-CB 3.48Å; N101-A104 PolarHBondContact O-N 2.97Å; N101-A104 VanDerWaalsContact O-N 3.13Å; N101-A104 VanDerWaalsContact OD1-CB 3.31Å; N101-A104 WeakPolarHBondContact OD1-CB 3.25Å; N101-A104 PolarHBondContact OD1-N 2.63Å; N101-I105 WeakPolarHBondContact O-CG1 3.35Å; N101-I105 PolarHBondContact O-N 3.32Å
102	E	84.4	Confident	89.2	Confident	116 Å²	116	40.1 Å²	40.1	54%	0.542	21%	0.207	S	C	.	.	H	α-helix	trans	-56.7	-31.6	-179.7	-60.9	-172.4	174.6	0	0	113.3	S100 R106	S100-E102 VanDerWaalsContact C-N 3.31Å; S100-E102 PolarHBondContact O-N 3.21Å; E102-R106 WeakPolarHBondContact O-CB 3.13Å; E102-R106 VanDerWaalsContact O-CG 3.32Å; E102-R106 WeakPolarHBondContact O-CG 3.21Å; E102-R106 PolarHBondContact O-N 3.39Å; E102-R106 PolarHBondContact O-NE 3.33Å; E102-R106 IonicContact OE2-CZ 2.94Å; E102-R106 IonicContact OE2-NH1 2.75Å; E102-R106 PolarHBondContact OE2-NH1 2.7Å; E102-R106 IonicContact OE2-NH2 3.54Å; E102-R106 PolarHBondContact OE2-NH2 3.05Å
103	A	85.8	Confident	88.9	Confident	56 Å²	56	40.3 Å²	40.3	46%	0.463	21%	0.208	S	C	.	.	H	α-helix	trans	-65.7	-44.5	179.6	0	0	0	0	0	111.5	N101 F107	N101-A103 PolarHBondContact O-N 2.97Å; N101-A103 VanDerWaalsContact O-N 3.13Å; A103-F107 WeakPolarHBondContact O-CB 3.31Å; A103-F107 PolarHBondContact O-N 3.45Å
104	A	91.9	Very high	88.2	Confident	18 Å²	18	42 Å²	42	15%	0.149	22%	0.215	C	C	.	.	H	α-helix	trans	-71	-42.1	175.5	0	0	0	0	0	111.7	V97 N101 R106 F107 Y108	V97-A104 HydrophobicContact CG2-CB 3.7Å; N101-A104 HydrophobicContact CB-CB 4.28Å; N101-A104 VanDerWaalsContact CG-CB 3.41Å; N101-A104 WeakPolarHBondContact ND2-CB 3.48Å; N101-A104 PolarHBondContact O-N 2.97Å; N101-A104 VanDerWaalsContact O-N 3.13Å; N101-A104 VanDerWaalsContact OD1-CB 3.31Å; N101-A104 WeakPolarHBondContact OD1-CB 3.25Å; N101-A104 PolarHBondContact OD1-N 2.63Å; A104-R106 PolarHBondContact O-N 3.29Å; A104-F107 CarbonylContact O-C 3.47Å; A104-F107 WeakPolarHBondContact O-CA 3.31Å; A104-F107 WeakPolarHBondContact O-CB 3.4Å; A104-F107 PolarHBondContact O-N 3.22Å; A104-Y108 HydrophobicContact CB-CD2 4.27Å; A104-Y108 HydrophobicContact CB-CE2 3.9Å; A104-Y108 WeakPolarHBondContact O-CD2 3.13Å; A104-Y108 PolarHBondContact O-N 2.93Å
105	I	86.9	Confident	87.5	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-53.3	-54.4	175	-72.5	166.7	0	0	0	110.4	V97 V99 N101 F107 Y108 E109 F133 Y135 W408	V97-I105 HydrophobicContact CG1-CG1 4.05Å; V97-I105 HydrophobicContact CG2-CG1 4.27Å; V99-I105 WeakPolarHBondContact O-CD1 3.3Å; N101-I105 WeakPolarHBondContact O-CG1 3.35Å; N101-I105 PolarHBondContact O-N 3.32Å; I105-F107 PolarHBondContact O-N 3.37Å; I105-Y108 PolarHBondContact O-N 3.26Å; I105-Y108 VanDerWaalsContact O-N 3.13Å; I105-E109 HydrophobicContact CG2-CG 4.3Å; I105-E109 WeakPolarHBondContact CG2-OE1 3.5Å; I105-E109 WeakPolarHBondContact O-CB 3.1Å; I105-E109 VanDerWaalsContact O-CG 3.23Å; I105-E109 WeakPolarHBondContact O-CG 3.27Å; I105-E109 PolarHBondContact O-N 2.77Å; I105-F133 HydrophobicContact CD1-CD2 4.01Å; I105-F133 HydrophobicContact CD1-CE2 4.17Å; I105-Y135 HydrophobicContact CG1-CE2 4.37Å; I105-Y135 WeakPolarHBondContact CG2-OH 3.33Å; I105-W408 HydrophobicContact CG2-CZ2 4.45Å
106	R	81.2	Confident	86.8	Confident	134 Å²	134	45.9 Å²	45.9	51%	0.506	24%	0.239	S	C	.	.	H	α-helix	trans	-59.4	-34.3	177.4	-73.8	-176.5	-71.9	-106.8	0.2	112.8	E102 A104 H110	E102-R106 WeakPolarHBondContact O-CB 3.13Å; E102-R106 VanDerWaalsContact O-CG 3.32Å; E102-R106 WeakPolarHBondContact O-CG 3.21Å; E102-R106 PolarHBondContact O-N 3.39Å; E102-R106 PolarHBondContact O-NE 3.33Å; E102-R106 IonicContact OE2-CZ 2.94Å; E102-R106 IonicContact OE2-NH1 2.75Å; E102-R106 PolarHBondContact OE2-NH1 2.7Å; E102-R106 IonicContact OE2-NH2 3.54Å; E102-R106 PolarHBondContact OE2-NH2 3.05Å; A104-R106 PolarHBondContact O-N 3.29Å; R106-H110 WeakPolarHBondContact O-CB 3.32Å; R106-H110 PolarHBondContact O-N 3.07Å; R106-H110 VanDerWaalsContact O-N 3.07Å
107	F	89.5	Confident	86	Confident	39 Å²	39	47.7 Å²	47.7	17%	0.171	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-47.2	175.7	170.1	-90.9	0	0	0	111.6	L56 A68 L72 A103 A104 I105 H110 W111	L56-F107 HydrophobicContact CD2-CD1 4.27Å; L56-F107 HydrophobicContact CD2-CE1 3.39Å; L56-F107 HydrophobicContact CD2-CZ 3.92Å; A68-F107 HydrophobicContact CB-CD2 4.41Å; A68-F107 HydrophobicContact CB-CE1 4.44Å; A68-F107 HydrophobicContact CB-CE2 3.66Å; A68-F107 HydrophobicContact CB-CZ 3.69Å; L72-F107 HydrophobicContact CB-CZ 4.33Å; L72-F107 HydrophobicContact CD2-CE1 3.74Å; L72-F107 HydrophobicContact CD2-CZ 3.85Å; A103-F107 WeakPolarHBondContact O-CB 3.31Å; A103-F107 PolarHBondContact O-N 3.45Å; A104-F107 CarbonylContact O-C 3.47Å; A104-F107 WeakPolarHBondContact O-CA 3.31Å; A104-F107 WeakPolarHBondContact O-CB 3.4Å; A104-F107 PolarHBondContact O-N 3.22Å; I105-F107 PolarHBondContact O-N 3.37Å; F107-H110 WeakPolarHBondContact O-CB 3.2Å; F107-H110 PolarHBondContact O-N 3.24Å; F107-W111 AromaticContact CE1-CD1 3.9Å; F107-W111 AromaticContact CE2-CD1 3.58Å; F107-W111 AromaticContact CE2-NE1 3.41Å; F107-W111 AromaticContact CZ-CD1 3.51Å; F107-W111 AromaticContact CZ-NE1 3.51Å; F107-W111 VanDerWaalsContact O-CD1 3.29Å; F107-W111 PolarHBondContact O-N 3.22Å; F107-W111 VanDerWaalsContact O-N 3.15Å
108	Y	92.4	Very high	85.4	Confident	16 Å²	16	50.3 Å²	50.3	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-67.9	-41.2	-179.1	-66.6	-50.8	0	0	0	112.1	L56 L95 V97 A104 I105 H110 W111 H112 F113	L56-Y108 HydrophobicContact CD2-CE1 3.83Å; L95-Y108 HydrophobicContact CD1-CD2 3.72Å; L95-Y108 HydrophobicContact CD1-CE1 4.37Å; L95-Y108 HydrophobicContact CD1-CE2 3.43Å; L95-Y108 VanDerWaalsContact CD1-CE2 3.43Å; L95-Y108 HydrophobicContact CD1-CG 4.3Å; L95-Y108 HydrophobicContact CD2-CD1 3.45Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.45Å; L95-Y108 HydrophobicContact CD2-CD2 4.08Å; L95-Y108 HydrophobicContact CD2-CE1 3.25Å; L95-Y108 HydrophobicContact CD2-CE2 3.9Å; L95-Y108 HydrophobicContact CD2-CG 3.87Å; L95-Y108 VanDerWaalsContact CD2-CZ 3.49Å; L95-Y108 HydrophobicContact CG-CE1 4.45Å; L95-Y108 HydrophobicContact CG-CE2 4.34Å; V97-Y108 HydrophobicContact CB-CD2 4.39Å; V97-Y108 HydrophobicContact CB-CE2 4.13Å; V97-Y108 HydrophobicContact CG1-CD2 4.5Å; V97-Y108 HydrophobicContact CG2-CD2 4.37Å; V97-Y108 HydrophobicContact CG2-CE2 4.06Å; A104-Y108 HydrophobicContact CB-CD2 4.27Å; A104-Y108 HydrophobicContact CB-CE2 3.9Å; A104-Y108 WeakPolarHBondContact O-CD2 3.13Å; A104-Y108 PolarHBondContact O-N 2.93Å; I105-Y108 PolarHBondContact O-N 3.26Å; I105-Y108 VanDerWaalsContact O-N 3.13Å; Y108-H110 VanDerWaalsContact C-N 3.33Å; Y108-H110 PolarHBondContact O-N 3.12Å; Y108-W111 CarbonylContact O-C 3.59Å; Y108-W111 VanDerWaalsContact O-C 3.32Å; Y108-W111 WeakPolarHBondContact O-CA 3.47Å; Y108-W111 WeakPolarHBondContact O-CB 3.09Å; Y108-W111 PolarHBondContact O-N 2.94Å; Y108-H112 PolarHBondContact O-N 3.41Å; Y108-H112 VanDerWaalsContact O-N 3.16Å; Y108-F113 HydrophobicContact CD1-CD2 4.34Å; Y108-F113 WeakPolarHBondContact O-CB 3.06Å; Y108-F113 WeakPolarHBondContact O-CD2 3.32Å; Y108-F113 PolarHBondContact O-N 2.94Å
109	E	83	Confident	85	Confident	26 Å²	26	49.5 Å²	49.5	12%	0.121	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-41.7	173.6	-68.6	174.7	162	0	0	112.2	I105 W111 H112 F113 Y135 K404	I105-E109 HydrophobicContact CG2-CG 4.3Å; I105-E109 WeakPolarHBondContact CG2-OE1 3.5Å; I105-E109 WeakPolarHBondContact O-CB 3.1Å; I105-E109 VanDerWaalsContact O-CG 3.23Å; I105-E109 WeakPolarHBondContact O-CG 3.27Å; I105-E109 PolarHBondContact O-N 2.77Å; E109-W111 PolarHBondContact O-N 2.99Å; E109-H112 WeakPolarHBondContact O-CA 3.32Å; E109-H112 PolarHBondContact O-N 3.1Å; E109-F113 WeakPolarHBondContact CA-O 3.49Å; E109-Y135 HydrophobicContact CG-CE1 3.68Å; E109-Y135 PolarHBondContact OE1-OH 2.78Å; E109-K404 WeakPolarHBondContact OE1-CD 3.4Å; E109-K404 WeakPolarHBondContact OE1-CE 3.41Å; E109-K404 IonicContact OE1-NZ 3.2Å; E109-K404 PolarHBondContact OE1-NZ 3.45Å; E109-K404 IonicContact OE2-NZ 2.89Å; E109-K404 PolarHBondContact OE2-NZ 3.46Å
110	H	78.4	Confident	84.8	Confident	105 Å²	105	54 Å²	54	49%	0.486	27%	0.27	S	S	.	.	H	α-helix	trans	-58.4	-32.3	172.9	178.2	72.4	0	0	0	112.1	R106 F107 Y108 H112	R106-H110 WeakPolarHBondContact O-CB 3.32Å; R106-H110 PolarHBondContact O-N 3.07Å; R106-H110 VanDerWaalsContact O-N 3.07Å; F107-H110 WeakPolarHBondContact O-CB 3.2Å; F107-H110 PolarHBondContact O-N 3.24Å; Y108-H110 VanDerWaalsContact C-N 3.33Å; Y108-H110 PolarHBondContact O-N 3.12Å; H110-H112 VanDerWaalsContact C-N 3.28Å
111	W	85.5	Confident	85	Confident	44 Å²	44	53.3 Å²	53.3	17%	0.167	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	10	174.8	-81.9	100.7	0	0	0	114.4	S69 L72 H73 F76 F107 Y108 E109 F113 N137	S69-W111 VanDerWaalsContact O-CZ2 3.26Å; S69-W111 WeakPolarHBondContact O-CZ2 3.16Å; S69-W111 PolarHBondContact OG-NE1 3.47Å; L72-W111 HydrophobicContact CD2-CB 3.71Å; L72-W111 HydrophobicContact CD2-CD2 3.66Å; L72-W111 HydrophobicContact CD2-CE3 4.23Å; L72-W111 HydrophobicContact CD2-CG 3.39Å; L72-W111 HydrophobicContact CG-CD2 4.3Å; L72-W111 HydrophobicContact CG-CE3 4.5Å; L72-W111 HydrophobicContact CG-CG 4.49Å; H73-W111 HydrophobicContact CB-CH2 3.94Å; F76-W111 HydrophobicContact CD2-CE3 4.1Å; F76-W111 HydrophobicContact CD2-CZ3 4.03Å; F76-W111 AromaticContact CE2-CE3 3.67Å; F76-W111 HydrophobicContact CE2-CE3 3.67Å; F76-W111 HydrophobicContact CE2-CZ3 4.09Å; F107-W111 AromaticContact CE1-CD1 3.9Å; F107-W111 AromaticContact CE2-CD1 3.58Å; F107-W111 AromaticContact CE2-NE1 3.41Å; F107-W111 AromaticContact CZ-CD1 3.51Å; F107-W111 AromaticContact CZ-NE1 3.51Å; F107-W111 VanDerWaalsContact O-CD1 3.29Å; F107-W111 PolarHBondContact O-N 3.22Å; F107-W111 VanDerWaalsContact O-N 3.15Å; Y108-W111 CarbonylContact O-C 3.59Å; Y108-W111 VanDerWaalsContact O-C 3.32Å; Y108-W111 WeakPolarHBondContact O-CA 3.47Å; Y108-W111 WeakPolarHBondContact O-CB 3.09Å; Y108-W111 PolarHBondContact O-N 2.94Å; E109-W111 PolarHBondContact O-N 2.99Å; W111-F113 VanDerWaalsContact C-N 3.31Å; W111-F113 HydrophobicContact CB-CD2 4.03Å; W111-F113 HydrophobicContact CB-CE2 4.23Å; W111-N137 PolarHBondContact O-ND2 3.32Å
112	H	81.7	Confident	84.9	Confident	32 Å²	32	54.5 Å²	54.5	15%	0.148	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	23.3	178.7	-47.2	-70	0	0	0	114.9	Y108 E109 H110 K298	Y108-H112 PolarHBondContact O-N 3.41Å; Y108-H112 VanDerWaalsContact O-N 3.16Å; E109-H112 WeakPolarHBondContact O-CA 3.32Å; E109-H112 PolarHBondContact O-N 3.1Å; H110-H112 VanDerWaalsContact C-N 3.28Å; H112-K298 HydrophobicContact CB-CD 4.05Å
113	F	89.7	Confident	85.2	Confident	4 Å²	4	52 Å²	52	2%	0.018	25%	0.246	C	C	.	.			trans	-74.7	147.4	160.3	-69.4	-107	0	0	0	109.2	I53 L72 F76 V93 L95 Y108 E109 W111 Y135 V136 N137	I53-F113 HydrophobicContact CD1-CE1 4.38Å; I53-F113 HydrophobicContact CD1-CZ 3.96Å; L72-F113 HydrophobicContact CD1-CE2 4.28Å; L72-F113 HydrophobicContact CD1-CZ 4.29Å; L72-F113 HydrophobicContact CD2-CE2 3.99Å; F76-F113 HydrophobicContact CE2-CE2 4.45Å; F76-F113 AromaticContact CZ-CE2 3.75Å; F76-F113 HydrophobicContact CZ-CE2 3.75Å; F76-F113 HydrophobicContact CZ-CZ 4.02Å; V93-F113 HydrophobicContact CB-CE1 4.05Å; V93-F113 HydrophobicContact CB-CZ 4.09Å; V93-F113 HydrophobicContact CG1-CE1 3.88Å; V93-F113 HydrophobicContact CG1-CZ 3.81Å; V93-F113 WeakPolarHBondContact O-CE1 3.35Å; L95-F113 HydrophobicContact CD2-CD1 3.84Å; L95-F113 HydrophobicContact CD2-CE1 3.65Å; L95-F113 HydrophobicContact CD2-CZ 4.18Å; L95-F113 HydrophobicContact CG-CD1 4.4Å; L95-F113 HydrophobicContact CG-CE1 4.43Å; Y108-F113 HydrophobicContact CD1-CD2 4.34Å; Y108-F113 WeakPolarHBondContact O-CB 3.06Å; Y108-F113 WeakPolarHBondContact O-CD2 3.32Å; Y108-F113 PolarHBondContact O-N 2.94Å; E109-F113 WeakPolarHBondContact CA-O 3.49Å; W111-F113 VanDerWaalsContact C-N 3.31Å; W111-F113 HydrophobicContact CB-CD2 4.03Å; W111-F113 HydrophobicContact CB-CE2 4.23Å; F113-Y135 HydrophobicContact CB-CD1 3.71Å; F113-Y135 HydrophobicContact CB-CG 4.36Å; F113-V136 CarbonylContact C-O 3.47Å; F113-V136 WeakPolarHBondContact CA-O 3.37Å; F113-N137 HydrophobicContact CD1-CB 3.75Å; F113-N137 HydrophobicContact CD2-CB 4.02Å; F113-N137 WeakPolarHBondContact CD2-ND2 3.4Å; F113-N137 HydrophobicContact CE1-CB 3.76Å; F113-N137 HydrophobicContact CE2-CB 4.02Å; F113-N137 HydrophobicContact CG-CB 3.87Å; F113-N137 HydrophobicContact CZ-CB 3.9Å
114	R	80.6	Confident	85.6	Confident	36 Å²	36	54.5 Å²	54.5	14%	0.136	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.6	179.8	-66.7	166.4	167.4	-98	19.1	110	L116 Y135 V136 Q273 M305	R114-L116 PolarHBondContact O-N 3.43Å; R114-Y135 VanDerWaalsContact C-CD1 3.46Å; R114-Y135 CarbonylContact O-C 3.58Å; R114-Y135 WeakPolarHBondContact O-CA 3.21Å; R114-V136 PolarHBondContact N-O 3.38Å; R114-V136 PolarHBondContact O-N 3.09Å; R114-Q273 VanDerWaalsContact CZ-CG 3.48Å; R114-M305 PolarHBondContact NH2-SD 3.11Å
115	C	82.6	Confident	85.5	Confident	54 Å²	54	56.6 Å²	56.6	37%	0.365	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	118.9	168.7	-169.6	0	0	0	0	109.1	F133 Y135	C115-F133 WeakPolarHBondContact SG-CD1 3.39Å; C115-Y135 HydrophobicContact CB-CD2 4.44Å; C115-Y135 HydrophobicContact CB-CE1 4.19Å; C115-Y135 HydrophobicContact CB-CE2 3.85Å
116	L	84.1	Confident	85.8	Confident	28 Å²	28	63.5 Å²	63.5	15%	0.147	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-52.3	174.9	177.6	70	0	0	0	110.7	I39 R114 T134 V136 C144 W146	I39-L116 HydrophobicContact CB-CD2 4.24Å; I39-L116 HydrophobicContact CG2-CD2 3.76Å; R114-L116 PolarHBondContact O-N 3.43Å; L116-T134 PolarHBondContact N-O 3.17Å; L116-V136 HydrophobicContact CB-CG2 3.92Å; L116-V136 HydrophobicContact CD2-CG2 4.02Å; L116-C144 HydrophobicContact CD1-CB 4.11Å; L116-W146 HydrophobicContact CD1-CH2 4.36Å; L116-W146 HydrophobicContact CD1-CZ2 3.65Å
117	N	78.7	Confident	86.2	Confident	50 Å²	50	60.3 Å²	60.3	27%	0.267	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	173.2	-178.6	61.8	9.1	0	0	0	110.2	F133 T134	N117-F133 WeakPolarHBondContact O-CA 3.42Å; N117-T134 PolarHBondContact O-N 2.82Å; N117-T134 WeakPolarHBondContact OD1-CB 3.18Å; N117-T134 PolarHBondContact OD1-OG1 2.88Å
118	R	81.5	Confident	86.3	Confident	63 Å²	63	63.2 Å²	63.2	24%	0.238	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.6	171.5	-174.9	-178.8	177.7	138.6	-9.7	108.9	V99 D131 S132 F133 D423	V99-R118 HydrophobicContact CG2-CG 4.32Å; R118-D131 HydrophobicContact CG-CB 4.32Å; R118-D131 IonicContact CZ-OD2 3.51Å; R118-D131 IonicContact NE-OD2 2.88Å; R118-D131 PolarHBondContact NE-OD2 2.88Å; R118-D131 IonicContact NH2-OD2 3.35Å; R118-D131 PolarHBondContact NH2-OD2 3.09Å; R118-S132 CarbonylContact C-O 3.32Å; R118-S132 VanDerWaalsContact CA-O 3.29Å; R118-S132 WeakPolarHBondContact CA-O 3.38Å; R118-S132 WeakPolarHBondContact CG-O 3.46Å; R118-F133 HydrophobicContact CB-CD1 3.83Å; R118-F133 HydrophobicContact CB-CE1 3.88Å; R118-F133 HydrophobicContact CG-CD1 4.08Å; R118-F133 HydrophobicContact CG-CE1 4Å; R118-D423 VanDerWaalsContact NH1-CB 3.3Å
119	L	84.9	Confident	86.3	Confident	20 Å²	20	67.1 Å²	67.1	11%	0.105	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.4	173.5	-56	-178.2	0	0	0	108.5	E35 H96 Y122 D131 S132	E35-L119 HydrophobicContact CB-CD2 3.97Å; E35-L119 HydrophobicContact CG-CD2 4.44Å; H96-L119 VanDerWaalsContact CD2-CD1 3.49Å; H96-L119 WeakPolarHBondContact CD2-CD1 3.06Å; H96-L119 WeakPolarHBondContact NE2-CD1 3.49Å; L119-Y122 HydrophobicContact CB-CD2 3.86Å; L119-Y122 HydrophobicContact CB-CG 4.12Å; L119-Y122 HydrophobicContact CD1-CD2 3.46Å; L119-Y122 VanDerWaalsContact CD1-CD2 3.46Å; L119-Y122 HydrophobicContact CD1-CE2 3.58Å; L119-Y122 HydrophobicContact CD1-CG 4.24Å; L119-Y122 HydrophobicContact CG-CD2 4.32Å; L119-D131 WeakPolarHBondContact O-CA 3.31Å; L119-S132 PolarHBondContact N-O 2.93Å; L119-S132 PolarHBondContact O-N 3.21Å
120	K	83.1	Confident	86.5	Confident	130 Å²	130	69 Å²	69	57%	0.565	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	140.1	-179.6	-172.1	167.2	-173.8	156	0	110.9	Y122 D131 E426	K120-Y122 PolarHBondContact O-N 3.4Å; K120-Y122 VanDerWaalsContact O-N 3.09Å; K120-D131 WeakPolarHBondContact CA-OD1 3.3Å; K120-E426 IonicContact NZ-OE1 2.82Å
121	N	88.3	Confident	87	Confident	75 Å²	75	64.9 Å²	64.9	40%	0.401	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.7	32.6	176.6	-60.5	-27.5	0	0	0	113.4	L129 H130 D131	N121-L129 HydrophobicContact CB-CB 4.01Å; N121-L129 HydrophobicContact CB-CD1 4.02Å; N121-L129 HydrophobicContact CB-CD2 4.28Å; N121-L129 HydrophobicContact CB-CG 4.32Å; N121-L129 WeakPolarHBondContact OD1-CB 3.19Å; N121-H130 CarbonylContact C-O 3.51Å; N121-D131 PolarHBondContact N-OD1 3.39Å
122	Y	89.8	Confident	87.3	Confident	91 Å²	91	62.8 Å²	62.8	36%	0.357	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-38.2	-174	-176.4	-94.5	0	0	0	112.7	H96 L119 K120 H130	H96-Y122 HydrophobicContact CB-CD1 4.46Å; H96-Y122 HydrophobicContact CB-CE1 3.75Å; H96-Y122 PolarHBondContact CE1-OH 3.3Å; H96-Y122 AromaticContact CG-CE1 3.8Å; H96-Y122 AromaticContact CG-CZ 3.65Å; H96-Y122 AromaticContact ND1-CZ 3.66Å; H96-Y122 PolarHBondContact ND1-OH 3.44Å; L119-Y122 HydrophobicContact CB-CD2 3.86Å; L119-Y122 HydrophobicContact CB-CG 4.12Å; L119-Y122 HydrophobicContact CD1-CD2 3.46Å; L119-Y122 VanDerWaalsContact CD1-CD2 3.46Å; L119-Y122 HydrophobicContact CD1-CE2 3.58Å; L119-Y122 HydrophobicContact CD1-CG 4.24Å; L119-Y122 HydrophobicContact CG-CD2 4.32Å; K120-Y122 PolarHBondContact O-N 3.4Å; K120-Y122 VanDerWaalsContact O-N 3.09Å; Y122-H130 PolarHBondContact N-O 3.48Å
123	Y	89.8	Confident	87.7	Confident	64 Å²	64	62.1 Å²	62.1	25%	0.251	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	141.4	178.6	-67.5	-70.3	0	0	0	111	H96 L98 L129 H130 S132	H96-Y123 VanDerWaalsContact C-OH 3.32Å; H96-Y123 VanDerWaalsContact CB-OH 3.26Å; H96-Y123 WeakPolarHBondContact CB-OH 3.25Å; H96-Y123 PolarHBondContact O-OH 3.34Å; H96-Y123 VanDerWaalsContact O-OH 3.11Å; L98-Y123 HydrophobicContact CD2-CD2 3.33Å; L98-Y123 HydrophobicContact CD2-CE2 4Å; L98-Y123 HydrophobicContact CD2-CG 3.89Å; L98-Y123 HydrophobicContact CG-CD2 3.83Å; L98-Y123 HydrophobicContact CG-CE2 3.99Å; L98-Y123 HydrophobicContact CG-CG 4.49Å; Y123-L129 CarbonylContact O-C 3.47Å; Y123-L129 WeakPolarHBondContact O-CA 3.46Å; Y123-H130 PolarHBondContact N-O 3.39Å; Y123-H130 PolarHBondContact O-N 2.95Å; Y123-S132 VanDerWaalsContact CE2-CB 3.47Å; Y123-S132 WeakPolarHBondContact CE2-OG 3.37Å
124	V	93.3	Very high	87.8	Confident	107 Å²	107	62 Å²	62	65%	0.648	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	112.8	166.5	-171.3	0	0	0	0	107.6	N128 L129	V124-N128 WeakPolarHBondContact CA-O 3.46Å; V124-L129 HydrophobicContact CG2-CD2 3.93Å
125	I	90.5	Very high	88.4	Confident	62 Å²	62	60.4 Å²	60.4	32%	0.318	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.5	180	-54.9	174.7	0	0	0	107.7	L98 G127 N128	L98-I125 HydrophobicContact CD1-CD1 3.73Å; L98-I125 HydrophobicContact CD2-CD1 3.89Å; L98-I125 HydrophobicContact CG-CD1 4.38Å; I125-G127 PolarHBondContact O-N 3.31Å; I125-G127 VanDerWaalsContact O-N 3.15Å; I125-N128 PolarHBondContact N-O 3.06Å; I125-N128 WeakPolarHBondContact O-CB 3.46Å; I125-N128 PolarHBondContact O-N 3.26Å
126	D	92.7	Very high	88.9	Confident	153 Å²	153	57.9 Å²	57.9	82%	0.818	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	39.1	-178.6	-55.2	-35.9	0	0	0	113.1	N128	D126-N128 PolarHBondContact O-N 2.62Å; D126-N128 PolarHBondContact O-ND2 3.02Å
127	G	91	Very high	89.4	Confident	67 Å²	67	56.6 Å²	56.6	69%	0.691	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	-6.6	-178	0	0	0	0	0	115.3	I125	I125-G127 PolarHBondContact O-N 3.31Å; I125-G127 VanDerWaalsContact O-N 3.15Å
128	N	91.8	Very high	89.9	Confident	100 Å²	100	54.8 Å²	54.8	54%	0.535	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.9	179	-61.2	-65.4	0	0	0	111.3	V124 I125 D126 H130	V124-N128 WeakPolarHBondContact CA-O 3.46Å; I125-N128 PolarHBondContact N-O 3.06Å; I125-N128 WeakPolarHBondContact O-CB 3.46Å; I125-N128 PolarHBondContact O-N 3.26Å; D126-N128 PolarHBondContact O-N 2.62Å; D126-N128 PolarHBondContact O-ND2 3.02Å; N128-H130 PolarHBondContact O-CD2 3.23Å; N128-H130 VanDerWaalsContact O-CD2 3.25Å
129	L	91.3	Very high	90.3	Very high	99 Å²	99	53 Å²	53	52%	0.518	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.9	175	-60.4	174.9	0	0	0	109.8	N121 Y123 V124	N121-L129 HydrophobicContact CB-CB 4.01Å; N121-L129 HydrophobicContact CB-CD1 4.02Å; N121-L129 HydrophobicContact CB-CD2 4.28Å; N121-L129 HydrophobicContact CB-CG 4.32Å; N121-L129 WeakPolarHBondContact OD1-CB 3.19Å; Y123-L129 CarbonylContact O-C 3.47Å; Y123-L129 WeakPolarHBondContact O-CA 3.46Å; V124-L129 HydrophobicContact CG2-CD2 3.93Å
130	H	87.9	Confident	90.5	Very high	64 Å²	64	53.9 Å²	53.9	30%	0.296	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.3	178.9	-63.1	-86.1	0	0	0	111	L98 N121 Y122 Y123 N128	L98-H130 HydrophobicContact CD2-CB 3.66Å; N121-H130 CarbonylContact C-O 3.51Å; Y122-H130 PolarHBondContact N-O 3.48Å; Y123-H130 PolarHBondContact N-O 3.39Å; Y123-H130 PolarHBondContact O-N 2.95Å; N128-H130 PolarHBondContact O-CD2 3.23Å; N128-H130 VanDerWaalsContact O-CD2 3.25Å
131	D	88.4	Confident	90.4	Very high	20 Å²	20	50.1 Å²	50.1	11%	0.107	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	153.3	179.7	-66.5	0.2	0	0	0	111.9	V99 R118 L119 K120 N121	V99-D131 HydrophobicContact CG2-CB 3.77Å; V99-D131 PolarHBondContact N-O 3.49Å; V99-D131 VanDerWaalsContact N-O 3.14Å; R118-D131 HydrophobicContact CG-CB 4.32Å; R118-D131 IonicContact CZ-OD2 3.51Å; R118-D131 IonicContact NE-OD2 2.88Å; R118-D131 PolarHBondContact NE-OD2 2.88Å; R118-D131 IonicContact NH2-OD2 3.35Å; R118-D131 PolarHBondContact NH2-OD2 3.09Å; L119-D131 WeakPolarHBondContact O-CA 3.31Å; K120-D131 WeakPolarHBondContact CA-OD1 3.3Å; N121-D131 PolarHBondContact N-OD1 3.39Å
132	S	91	Very high	90.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	151.9	175	-174.7	0	0	0	0	110.8	H96 V97 R118 L119 Y123	H96-S132 WeakPolarHBondContact CB-OG 3.04Å; V97-S132 PolarHBondContact N-OG 3.13Å; V97-S132 VanDerWaalsContact N-OG 3.16Å; V97-S132 CarbonylContact O-C 3.51Å; V97-S132 WeakPolarHBondContact O-CA 3.41Å; V97-S132 PolarHBondContact O-OG 3Å; R118-S132 CarbonylContact C-O 3.32Å; R118-S132 VanDerWaalsContact CA-O 3.29Å; R118-S132 WeakPolarHBondContact CA-O 3.38Å; R118-S132 WeakPolarHBondContact CG-O 3.46Å; L119-S132 PolarHBondContact N-O 2.93Å; L119-S132 PolarHBondContact O-N 3.21Å; Y123-S132 VanDerWaalsContact CE2-CB 3.47Å; Y123-S132 WeakPolarHBondContact CE2-OG 3.37Å
133	F	90.5	Very high	90.1	Very high	18 Å²	18	43.9 Å²	43.9	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	141.8	157.7	-68.6	-56.2	0	0	0	110.1	H96 V97 V99 I105 C115 N117 R118 Y135	H96-F133 WeakPolarHBondContact CA-O 3.21Å; V97-F133 HydrophobicContact CG1-CB 4.17Å; V97-F133 PolarHBondContact N-O 2.71Å; V97-F133 PolarHBondContact O-N 3.15Å; V99-F133 HydrophobicContact CB-CD2 4.3Å; V99-F133 HydrophobicContact CB-CE2 3.94Å; V99-F133 HydrophobicContact CB-CZ 4.38Å; V99-F133 HydrophobicContact CG1-CE2 3.73Å; V99-F133 HydrophobicContact CG1-CZ 3.93Å; V99-F133 HydrophobicContact CG2-CD1 4.28Å; V99-F133 HydrophobicContact CG2-CD2 3.81Å; V99-F133 HydrophobicContact CG2-CE1 4.14Å; V99-F133 HydrophobicContact CG2-CE2 3.66Å; V99-F133 HydrophobicContact CG2-CG 4.12Å; V99-F133 HydrophobicContact CG2-CZ 3.84Å; I105-F133 HydrophobicContact CD1-CD2 4.01Å; I105-F133 HydrophobicContact CD1-CE2 4.17Å; C115-F133 WeakPolarHBondContact SG-CD1 3.39Å; N117-F133 WeakPolarHBondContact O-CA 3.42Å; R118-F133 HydrophobicContact CB-CD1 3.83Å; R118-F133 HydrophobicContact CB-CE1 3.88Å; R118-F133 HydrophobicContact CG-CD1 4.08Å; R118-F133 HydrophobicContact CG-CE1 4Å; F133-Y135 HydrophobicContact CB-CD2 3.71Å; F133-Y135 HydrophobicContact CB-CE2 3.54Å; F133-Y135 HydrophobicContact CD2-CE2 4.16Å; F133-Y135 HydrophobicContact CG-CE2 4.11Å
134	T	92	Very high	89.7	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.2	164.6	-55	0	0	0	0	108.4	I39 F94 L95 H96 L116 N117 V136	I39-T134 HydrophobicContact CG2-CG2 4.29Å; F94-T134 HydrophobicContact CD2-CG2 4.24Å; L95-T134 CarbonylContact O-C 3.57Å; L95-T134 WeakPolarHBondContact O-CA 3.24Å; H96-T134 PolarHBondContact CD2-OG1 2.87Å; H96-T134 PolarHBondContact NE2-OG1 2.87Å; H96-T134 VanDerWaalsContact NE2-OG1 3.11Å; L116-T134 PolarHBondContact N-O 3.17Å; N117-T134 PolarHBondContact O-N 2.82Å; N117-T134 WeakPolarHBondContact OD1-CB 3.18Å; N117-T134 PolarHBondContact OD1-OG1 2.88Å; T134-V136 HydrophobicContact CG2-CG2 4.21Å
135	Y	93.3	Very high	88.5	Confident	3 Å²	3	37.3 Å²	37.3	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.5	177.5	-94.1	-101.3	0	0	0	110.1	F94 L95 V97 I105 E109 F113 R114 C115 F133	F94-Y135 CarbonylContact C-O 3.58Å; F94-Y135 WeakPolarHBondContact CA-O 3.35Å; F94-Y135 WeakPolarHBondContact CB-O 3.42Å; L95-Y135 PolarHBondContact N-O 2.78Å; L95-Y135 PolarHBondContact O-N 3.42Å; V97-Y135 HydrophobicContact CG1-CD2 3.49Å; V97-Y135 VanDerWaalsContact CG1-CD2 3.49Å; V97-Y135 HydrophobicContact CG1-CE2 3.8Å; V97-Y135 HydrophobicContact CG1-CG 4.37Å; I105-Y135 HydrophobicContact CG1-CE2 4.37Å; I105-Y135 WeakPolarHBondContact CG2-OH 3.33Å; E109-Y135 HydrophobicContact CG-CE1 3.68Å; E109-Y135 PolarHBondContact OE1-OH 2.78Å; F113-Y135 HydrophobicContact CB-CD1 3.71Å; F113-Y135 HydrophobicContact CB-CG 4.36Å; R114-Y135 VanDerWaalsContact C-CD1 3.46Å; R114-Y135 CarbonylContact O-C 3.58Å; R114-Y135 WeakPolarHBondContact O-CA 3.21Å; C115-Y135 HydrophobicContact CB-CD2 4.44Å; C115-Y135 HydrophobicContact CB-CE1 4.19Å; C115-Y135 HydrophobicContact CB-CE2 3.85Å; F133-Y135 HydrophobicContact CB-CD2 3.71Å; F133-Y135 HydrophobicContact CB-CE2 3.54Å; F133-Y135 HydrophobicContact CD2-CE2 4.16Å; F133-Y135 HydrophobicContact CG-CE2 4.11Å
136	V	93.8	Very high	87.1	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.1	-176.4	-170.5	0	0	0	0	111	I39 C92 V93 F94 F113 R114 L116 T134 Y138	I39-V136 HydrophobicContact CB-CG2 4.34Å; I39-V136 HydrophobicContact CG2-CG2 4.08Å; C92-V136 HydrophobicContact CB-CG1 3.71Å; V93-V136 CarbonylContact O-C 3.56Å; V93-V136 WeakPolarHBondContact O-CA 3.21Å; F94-V136 HydrophobicContact CB-CB 4.41Å; F94-V136 HydrophobicContact CB-CG1 4.36Å; F94-V136 HydrophobicContact CB-CG2 3.93Å; F113-V136 CarbonylContact C-O 3.47Å; F113-V136 WeakPolarHBondContact CA-O 3.37Å; R114-V136 PolarHBondContact N-O 3.38Å; R114-V136 PolarHBondContact O-N 3.09Å; L116-V136 HydrophobicContact CB-CG2 3.92Å; L116-V136 HydrophobicContact CD2-CG2 4.02Å; T134-V136 HydrophobicContact CG2-CG2 4.21Å; V136-Y138 HydrophobicContact CB-CE2 4.15Å; V136-Y138 HydrophobicContact CG1-CD1 4.11Å; V136-Y138 HydrophobicContact CG1-CD2 4.33Å; V136-Y138 HydrophobicContact CG1-CE1 3.72Å; V136-Y138 HydrophobicContact CG1-CE2 3.95Å; V136-Y138 HydrophobicContact CG1-CG 4.4Å
137	N	92.7	Very high	85.6	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	107.9	170.8	-161	-41.2	0	0	0	108.6	F76 C92 V93 W111 F113	F76-N137 WeakPolarHBondContact CZ-ND2 3.37Å; C92-N137 CarbonylContact C-O 3.6Å; C92-N137 WeakPolarHBondContact CA-O 3.33Å; C92-N137 WeakPolarHBondContact CB-O 3.23Å; V93-N137 HydrophobicContact CB-CB 4.35Å; V93-N137 PolarHBondContact N-O 3.06Å; V93-N137 PolarHBondContact O-N 2.94Å; W111-N137 PolarHBondContact O-ND2 3.32Å; F113-N137 HydrophobicContact CD1-CB 3.75Å; F113-N137 HydrophobicContact CD2-CB 4.02Å; F113-N137 WeakPolarHBondContact CD2-ND2 3.4Å; F113-N137 HydrophobicContact CE1-CB 3.76Å; F113-N137 HydrophobicContact CE2-CB 4.02Å; F113-N137 HydrophobicContact CG-CB 3.87Å; F113-N137 HydrophobicContact CZ-CB 3.9Å
138	Y	90.2	Very high	83.9	Confident	11 Å²	11	29.1 Å²	29.1	4%	0.043	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.5	-177.9	-64.8	-77.5	0	0	0	111.3	I39 L40 C92 V136 G142 C144	I39-Y138 VanDerWaalsContact O-CE1 3.23Å; I39-Y138 WeakPolarHBondContact O-CE1 3.2Å; I39-Y138 PolarHBondContact O-OH 3.37Å; L40-Y138 HydrophobicContact CD2-CD1 4.28Å; L40-Y138 HydrophobicContact CD2-CE1 4.21Å; C92-Y138 HydrophobicContact CB-CD1 4.24Å; V136-Y138 HydrophobicContact CB-CE2 4.15Å; V136-Y138 HydrophobicContact CG1-CD1 4.11Å; V136-Y138 HydrophobicContact CG1-CD2 4.33Å; V136-Y138 HydrophobicContact CG1-CE1 3.72Å; V136-Y138 HydrophobicContact CG1-CE2 3.95Å; V136-Y138 HydrophobicContact CG1-CG 4.4Å; Y138-G142 WeakPolarHBondContact CB-O 3.35Å; Y138-C144 HydrophobicContact CE1-CB 4.46Å; Y138-C144 VanDerWaalsContact OH-CB 3.28Å; Y138-C144 WeakPolarHBondContact OH-CB 3.38Å
139	L	89.8	Confident	82.1	Confident	25 Å²	25	29.3 Å²	29.3	13%	0.131	15%	0.152	C	C	.	.			trans	-124.5	155.7	-176.9	-58.2	-177.3	0	0	0	109.9	F76 I79 R91 V93 G141 G142	F76-L139 HydrophobicContact CD1-CD1 4.34Å; F76-L139 HydrophobicContact CE1-CD1 4.39Å; I79-L139 HydrophobicContact CD1-CD1 3.62Å; I79-L139 HydrophobicContact CG1-CD1 4.37Å; R91-L139 CarbonylContact C-O 3.57Å; R91-L139 WeakPolarHBondContact CA-O 3.32Å; R91-L139 PolarHBondContact O-N 2.89Å; V93-L139 HydrophobicContact CG2-CD1 3.7Å; L139-G141 PolarHBondContact O-N 2.78Å; L139-G142 PolarHBondContact O-N 3.06Å
140	N	88.8	Confident	80.2	Confident	39 Å²	39	32.7 Å²	32.7	21%	0.209	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	33.4	170.5	-60.8	-55.6	0	0	0	114.2	R89 I90 R91	R89-N140 HydrophobicContact CB-CB 4.12Å; R89-N140 PolarHBondContact NH1-OD1 3.4Å; I90-N140 PolarHBondContact O-ND2 3.1Å; R91-N140 PolarHBondContact NH1-O 3.5Å
141	G	82.3	Confident	78.4	Confident	51 Å²	51	32 Å²	32	53%	0.526	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	16.2	-178.4	0	0	0	0	0	115.3	L139 Y143	L139-G141 PolarHBondContact O-N 2.78Å; G141-Y143 WeakPolarHBondContact O-CD1 3.24Å
142	G	86.6	Confident	76.7	Confident	5 Å²	5	32.1 Å²	32.1	5%	0.052	17%	0.17	C	C	.	.			trans	-62.5	149.9	164.5	0	0	0	0	0	111.8	Y138 L139	Y138-G142 WeakPolarHBondContact CB-O 3.35Å; L139-G142 PolarHBondContact O-N 3.06Å
143	Y	84.8	Confident	74.8	Confident	31 Å²	31	35.6 Å²	35.6	12%	0.122	19%	0.188	C	C	.	.			trans	-160.4	160.9	179.5	64.2	-97.3	0	0	0	110.1	L40 D41 S43 F44 G141 S147 K149	L40-Y143 CarbonylContact C-O 3.4Å; L40-Y143 WeakPolarHBondContact CA-O 3.48Å; D41-Y143 HydrophobicContact CB-CD2 3.59Å; D41-Y143 HydrophobicContact CB-CE2 3.26Å; D41-Y143 VanDerWaalsContact CG-CE2 3.43Å; D41-Y143 PolarHBondContact N-O 2.98Å; S43-Y143 PolarHBondContact OG-OH 3.36Å; F44-Y143 AromaticContact CE2-CD1 3.61Å; F44-Y143 HydrophobicContact CE2-CD1 3.61Å; F44-Y143 HydrophobicContact CE2-CD2 4.2Å; F44-Y143 AromaticContact CE2-CE1 3.48Å; F44-Y143 HydrophobicContact CE2-CE1 3.48Å; F44-Y143 VanDerWaalsContact CE2-CE1 3.48Å; F44-Y143 HydrophobicContact CE2-CE2 4.07Å; F44-Y143 AromaticContact CE2-CG 3.96Å; F44-Y143 HydrophobicContact CE2-CG 3.96Å; F44-Y143 AromaticContact CE2-CZ 3.69Å; F44-Y143 AromaticContact CZ-CD1 3.62Å; F44-Y143 HydrophobicContact CZ-CD1 3.62Å; F44-Y143 AromaticContact CZ-CE1 3.51Å; F44-Y143 HydrophobicContact CZ-CE1 3.51Å; F44-Y143 HydrophobicContact CZ-CG 4.37Å; G141-Y143 WeakPolarHBondContact O-CD1 3.24Å; Y143-S147 WeakPolarHBondContact CB-OG 3.23Å; Y143-K149 HydrophobicContact CE1-CB 4.45Å; Y143-K149 HydrophobicContact CE2-CB 4.38Å; Y143-K149 HydrophobicContact CE2-CG 3.81Å
144	C	81.1	Confident	72.7	Confident	4 Å²	4	35.1 Å²	35.1	3%	0.027	19%	0.187	C	C	.	.			trans	-97.3	168.4	177.6	56.3	0	0	0	0	112.7	L116 Y138 W146 S147	L116-C144 HydrophobicContact CD1-CB 4.11Å; Y138-C144 HydrophobicContact CE1-CB 4.46Å; Y138-C144 VanDerWaalsContact OH-CB 3.28Å; Y138-C144 WeakPolarHBondContact OH-CB 3.38Å; C144-W146 PolarHBondContact O-N 3.28Å; C144-S147 PolarHBondContact N-OG 3.13Å; C144-S147 VanDerWaalsContact N-OG 3.14Å; C144-S147 PolarHBondContact O-N 3.13Å; C144-S147 VanDerWaalsContact O-N 3.08Å; C144-S147 PolarHBondContact O-OG 3.4Å
145	N	68.3	Low	70.6	Confident	29 Å²	29	36.2 Å²	36.2	16%	0.155	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-33	-172.6	-78.3	-41.9	0	0	0	115.9	D41 K42 H376	D41-N145 WeakPolarHBondContact CA-OD1 3.22Å; D41-N145 WeakPolarHBondContact OD1-CA 3.43Å; D41-N145 PolarHBondContact OD1-OD1 2.59Å; K42-N145 PolarHBondContact N-OD1 3.23Å; N145-H376 PolarHBondContact O-NE2 3.5Å
146	W	61.5	Low	68.1	Low	87 Å²	87	40.9 Å²	40.9	33%	0.33	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	22.1	-176.5	46.3	80.9	0	0	0	114	L116 C144 L401	L116-W146 HydrophobicContact CD1-CH2 4.36Å; L116-W146 HydrophobicContact CD1-CZ2 3.65Å; C144-W146 PolarHBondContact O-N 3.28Å; W146-L401 HydrophobicContact CB-CD2 4.26Å; W146-L401 HydrophobicContact CG-CD2 3.92Å
147	S	60.6	Low	65.4	Low	7 Å²	7	44.9 Å²	44.9	5%	0.049	26%	0.26	C	S	.	.	S	Bend	trans	-116.1	151.8	-179.9	58.2	0	0	0	0	112.9	Y143 C144 K149	Y143-S147 WeakPolarHBondContact CB-OG 3.23Å; C144-S147 PolarHBondContact N-OG 3.13Å; C144-S147 VanDerWaalsContact N-OG 3.14Å; C144-S147 PolarHBondContact O-N 3.13Å; C144-S147 VanDerWaalsContact O-N 3.08Å; C144-S147 PolarHBondContact O-OG 3.4Å; S147-K149 PolarHBondContact O-N 2.75Å
148	L	54.5	Low	63.3	Low	15 Å²	15	48.2 Å²	48.2	8%	0.079	28%	0.277	C	S	.	.			trans	-55.9	118.1	177.7	-80.7	167.4	0	0	0	110.4	F150 V152 N304 E308 P368 V369 V372	L148-F150 PolarHBondContact O-N 3.29Å; L148-F150 VanDerWaalsContact O-N 3.15Å; L148-V152 HydrophobicContact CD1-CB 4.5Å; L148-V152 HydrophobicContact CD1-CG2 3.67Å; L148-V152 HydrophobicContact CD2-CG2 3.99Å; L148-V152 HydrophobicContact CG-CG2 4.4Å; L148-N304 HydrophobicContact CB-CB 4.38Å; L148-N304 HydrophobicContact CD1-CB 3.73Å; L148-E308 WeakPolarHBondContact CB-OE1 3.39Å; L148-E308 HydrophobicContact CD1-CG 4.08Å; L148-E308 WeakPolarHBondContact CD1-OE1 3.38Å; L148-E308 HydrophobicContact CG-CG 4.13Å; L148-E308 WeakPolarHBondContact CG-OE1 3.31Å; L148-E308 PolarHBondContact N-OE1 2.73Å; L148-P368 HydrophobicContact CD2-CB 3.74Å; L148-P368 WeakPolarHBondContact CD2-O 3.26Å; L148-V369 HydrophobicContact CD1-CG2 3.86Å; L148-V369 HydrophobicContact CD2-CG2 4.43Å; L148-V369 HydrophobicContact CG-CG2 4.49Å; L148-V372 HydrophobicContact CD2-CG2 4.07Å
149	K	54.4	Low	61.2	Low	104 Å²	104	52.7 Å²	52.7	45%	0.452	31%	0.31	S	S	.	.	S	Bend	trans	-59.8	-25.4	180	-58.3	-173.6	178.3	175.7	0	113.5	Y143 S147	Y143-K149 HydrophobicContact CE1-CB 4.45Å; Y143-K149 HydrophobicContact CE2-CB 4.38Å; Y143-K149 HydrophobicContact CE2-CG 3.81Å; S147-K149 PolarHBondContact O-N 2.75Å
150	F	52.3	Low	59.6	Low	171 Å²	171	53.9 Å²	53.9	75%	0.75	32%	0.318	S	S	*	.	S	Bend	trans	-130.8	151	179.5	-61.5	-73.4	0	0	0	111.4	L148 V152 N304	L148-F150 PolarHBondContact O-N 3.29Å; L148-F150 VanDerWaalsContact O-N 3.15Å; F150-V152 PolarHBondContact O-N 2.89Å; F150-N304 PolarHBondContact O-ND2 2.99Å
151	A	50.3	Low	58.6	Low	50 Å²	50	56 Å²	56	41%	0.413	33%	0.326	S	S	.	.			trans	-59.2	107.9	166.7	0	0	0	0	0	109	L153 K300 N304	A151-L153 PolarHBondContact O-N 3.35Å; A151-K300 HydrophobicContact CB-CB 4.26Å; A151-N304 VanDerWaalsContact CA-ND2 3.32Å; A151-N304 WeakPolarHBondContact CA-ND2 3.26Å; A151-N304 WeakPolarHBondContact CA-OD1 3.21Å
152	V	53	Low	58.1	Low	21 Å²	21	58.5 Å²	58.5	13%	0.127	33%	0.334	C	S	.	.			trans	-71.2	89	161.7	-176.7	0	0	0	0	103.9	L148 F150 P154 N304 L307 P368	L148-V152 HydrophobicContact CD1-CB 4.5Å; L148-V152 HydrophobicContact CD1-CG2 3.67Å; L148-V152 HydrophobicContact CD2-CG2 3.99Å; L148-V152 HydrophobicContact CG-CG2 4.4Å; F150-V152 PolarHBondContact O-N 2.89Å; V152-P154 WeakPolarHBondContact O-CD 3.41Å; V152-P154 VanDerWaalsContact O-N 3.12Å; V152-N304 PolarHBondContact N-OD1 3.13Å; V152-N304 PolarHBondContact O-OD1 3.15Å; V152-L307 HydrophobicContact CG1-CD1 4.39Å; V152-P368 HydrophobicContact CG1-CG 4.17Å; V152-P368 HydrophobicContact CG2-CB 3.5Å; V152-P368 VanDerWaalsContact CG2-CB 3.5Å; V152-P368 HydrophobicContact CG2-CG 3.66Å
153	L	50.8	Low	58	Low	73 Å²	73	63.4 Å²	63.4	38%	0.382	36%	0.359	S	S	.	.			trans	-65.5	110.8	165.1	-72.4	174.2	0	0	0	105.3	A151 N155 K300	A151-L153 PolarHBondContact O-N 3.35Å; L153-N155 PolarHBondContact O-N 2.84Å; L153-K300 HydrophobicContact CD2-CG 4.47Å
154	P	46.4	Very low	58.2	Low	9 Å²	9	62 Å²	62	6%	0.058	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	109.5	178	-14.5	28.1	0	0	0	107.1	V152 F290 L365	V152-P154 WeakPolarHBondContact O-CD 3.41Å; V152-P154 VanDerWaalsContact O-N 3.12Å; P154-F290 HydrophobicContact CB-CE2 3.77Å; P154-F290 HydrophobicContact CG-CE2 3.65Å; P154-F290 HydrophobicContact CG-CZ 4.07Å; P154-F290 VanDerWaalsContact O-CD2 3.29Å; P154-F290 WeakPolarHBondContact O-CD2 3.46Å; P154-F290 WeakPolarHBondContact O-CE2 3.45Å; P154-L365 HydrophobicContact CB-CD1 3.57Å; P154-L365 HydrophobicContact CG-CD1 4.05Å
155	N	46.2	Very low	58.6	Low	23 Å²	23	64.7 Å²	64.7	12%	0.123	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	80.3	172.3	-59.9	-21.8	0	0	0	116.2	L153 S157 M158	L153-N155 PolarHBondContact O-N 2.84Å; N155-S157 PolarHBondContact O-N 3.33Å; N155-M158 HydrophobicContact CB-CB 4.42Å; N155-M158 HydrophobicContact CB-CG 4.2Å
156	A	41.6	Very low	59.6	Low	100 Å²	100	69.9 Å²	69.9	83%	0.826	39%	0.387	S	S	*	.	S	Bend	trans	-68.5	-9.2	146.7	0	0	0	0	0	112.4
157	S	38.3	Very low	61.1	Low	86 Å²	86	66.1 Å²	66.1	60%	0.601	37%	0.373	S	S	*	.	S	Bend	trans	-99.1	-11.6	-171	59.7	0	0	0	0	115.8	N155 S159	N155-S157 PolarHBondContact O-N 3.33Å; S157-S159 PolarHBondContact O-N 3.49Å
158	M	46.8	Very low	62.7	Low	72 Å²	72	65.8 Å²	65.8	36%	0.355	37%	0.371	S	S	.	.	S	Bend	trans	-83.3	102.6	165	-67.5	-150.6	86.9	0	0	106.9	N155 T160	N155-M158 HydrophobicContact CB-CB 4.42Å; N155-M158 HydrophobicContact CB-CG 4.2Å; M158-T160 PolarHBondContact O-N 3.19Å
159	S	46.6	Very low	64.6	Low	105 Å²	105	68.2 Å²	68.2	73%	0.734	39%	0.389	S	S	*	.			trans	-47.1	120.4	167.2	51.9	0	0	0	0	107.5	S157 E161	S157-S159 PolarHBondContact O-N 3.49Å; S159-E161 PolarHBondContact O-N 3.46Å
160	T	55.6	Low	66.5	Low	49 Å²	49	64.5 Å²	64.5	30%	0.301	37%	0.374	S	S	.	.			trans	-64.8	115.2	178.8	-23.6	0	0	0	0	105.4	M158 P162 V165	M158-T160 PolarHBondContact O-N 3.19Å; T160-P162 WeakPolarHBondContact O-CD 3.15Å; T160-P162 VanDerWaalsContact O-N 3.1Å; T160-V165 VanDerWaalsContact CB-CG2 3.45Å; T160-V165 HydrophobicContact CG2-CG2 3.46Å; T160-V165 VanDerWaalsContact CG2-CG2 3.46Å
161	E	69.1	Low	68.6	Low	83 Å²	83	56.5 Å²	56.5	39%	0.388	34%	0.338	S	S	.	.			trans	-46.8	124.2	175.1	-84.5	164.4	-143.6	0	0	108.1	S159 D163 I164 V165 R289	S159-E161 PolarHBondContact O-N 3.46Å; E161-D163 PolarHBondContact O-N 3Å; E161-I164 HydrophobicContact CB-CD1 4.32Å; E161-I164 HydrophobicContact CB-CG1 4.21Å; E161-I164 PolarHBondContact O-N 2.76Å; E161-V165 PolarHBondContact O-N 3.08Å; E161-R289 IonicContact OE1-CZ 2.76Å; E161-R289 VanDerWaalsContact OE1-CZ 3.31Å; E161-R289 IonicContact OE1-NH1 3.02Å; E161-R289 PolarHBondContact OE1-NH1 2.86Å; E161-R289 IonicContact OE1-NH2 2.97Å; E161-R289 PolarHBondContact OE1-NH2 3.32Å; E161-R289 IonicContact OE2-NH1 2.88Å; E161-R289 PolarHBondContact OE2-NH1 3.42Å
162	P	70.7	Confident	70.9	Confident	105 Å²	105	54.6 Å²	54.6	68%	0.682	32%	0.322	S	S	*	.	H	α-helix	trans	-49.3	-33.7	-175.1	-30.9	35.2	0	0	0	112.7	T160 V165 R166	T160-P162 WeakPolarHBondContact O-CD 3.15Å; T160-P162 VanDerWaalsContact O-N 3.1Å; P162-V165 PolarHBondContact O-N 3.3Å; P162-R166 WeakPolarHBondContact O-CB 3.41Å; P162-R166 PolarHBondContact O-N 2.98Å
163	D	84.9	Confident	72.9	Confident	108 Å²	108	58.9 Å²	58.9	58%	0.578	34%	0.336	S	S	*	.	H	α-helix	trans	-61.8	-42.7	176.4	-67.2	-16.4	0	0	0	113.6	E161 R166 L167	E161-D163 PolarHBondContact O-N 3Å; D163-R166 PolarHBondContact O-N 3.02Å; D163-L167 WeakPolarHBondContact O-CB 3.37Å; D163-L167 WeakPolarHBondContact O-CG 3.31Å; D163-L167 PolarHBondContact O-N 2.83Å
164	I	88.5	Confident	74.8	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-67.7	-40.5	-180	-61.9	-178.8	0	0	0	110.4	E161 L167 A168 A181 V186 L199 F201 I291	E161-I164 HydrophobicContact CB-CD1 4.32Å; E161-I164 HydrophobicContact CB-CG1 4.21Å; E161-I164 PolarHBondContact O-N 2.76Å; I164-L167 PolarHBondContact O-N 2.92Å; I164-A168 WeakPolarHBondContact O-CB 3.47Å; I164-A168 PolarHBondContact O-N 3.49Å; I164-A181 HydrophobicContact CG2-CB 4.01Å; I164-V186 HydrophobicContact CD1-CG1 4.23Å; I164-V186 HydrophobicContact CD1-CG2 4.36Å; I164-L199 HydrophobicContact CD1-CD2 4.28Å; I164-L199 HydrophobicContact CG1-CD2 4.3Å; I164-F201 HydrophobicContact CG2-CE1 3.87Å; I164-F201 HydrophobicContact CG2-CZ 4.05Å; I164-I291 HydrophobicContact CG2-CD1 4.1Å; I164-I291 HydrophobicContact CG2-CG1 4.37Å
165	V	89.6	Confident	76.9	Confident	59 Å²	59	61.7 Å²	61.7	36%	0.358	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-44.6	176.9	-179.8	0	0	0	0	110.3	T160 E161 P162 A168 S169	T160-V165 VanDerWaalsContact CB-CG2 3.45Å; T160-V165 HydrophobicContact CG2-CG2 3.46Å; T160-V165 VanDerWaalsContact CG2-CG2 3.46Å; E161-V165 PolarHBondContact O-N 3.08Å; P162-V165 PolarHBondContact O-N 3.3Å; V165-A168 PolarHBondContact O-N 2.88Å; V165-S169 PolarHBondContact O-N 3.15Å; V165-S169 VanDerWaalsContact O-N 3.13Å
166	R	90.8	Very high	79.3	Confident	139 Å²	139	61.5 Å²	61.5	53%	0.525	35%	0.347	S	S	.	.	H	α-helix	trans	-58.2	-49.3	176.1	-179	178	171.8	-121.5	-8.3	111.4	P162 D163 A168 S169 D254	P162-R166 WeakPolarHBondContact O-CB 3.41Å; P162-R166 PolarHBondContact O-N 2.98Å; D163-R166 PolarHBondContact O-N 3.02Å; R166-A168 VanDerWaalsContact C-N 3.27Å; R166-A168 PolarHBondContact O-N 2.97Å; R166-S169 WeakPolarHBondContact O-CB 3.44Å; R166-S169 PolarHBondContact O-N 3.46Å; R166-S169 PolarHBondContact O-OG 3.46Å; R166-D254 IonicContact CZ-OD2 2.83Å; R166-D254 IonicContact NE-OD2 2.77Å; R166-D254 PolarHBondContact NE-OD2 2.85Å; R166-D254 IonicContact NH1-OD2 2.73Å; R166-D254 PolarHBondContact NH1-OD2 3.33Å; R166-D254 IonicContact NH2-OD1 2.85Å; R166-D254 PolarHBondContact NH2-OD1 2.81Å; R166-D254 IonicContact NH2-OD2 2.7Å; R166-D254 PolarHBondContact NH2-OD2 3.13Å
167	L	92.2	Very high	82	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-34	178.3	-68.4	171.8	0	0	0	112.6	D163 I164 S169 L199 V253 D254 R256	D163-L167 WeakPolarHBondContact O-CB 3.37Å; D163-L167 WeakPolarHBondContact O-CG 3.31Å; D163-L167 PolarHBondContact O-N 2.83Å; I164-L167 PolarHBondContact O-N 2.92Å; L167-S169 VanDerWaalsContact C-N 3.29Å; L167-S169 PolarHBondContact O-N 3.22Å; L167-L199 HydrophobicContact CD1-CD1 3.27Å; L167-V253 HydrophobicContact CD2-CB 3.86Å; L167-V253 HydrophobicContact CD2-CG1 3.66Å; L167-V253 VanDerWaalsContact CD2-O 3.27Å; L167-V253 WeakPolarHBondContact CD2-O 3.3Å; L167-D254 HydrophobicContact CD2-CB 3.92Å; L167-R256 HydrophobicContact CD1-CB 4.08Å; L167-R256 HydrophobicContact CD1-CG 4.19Å; L167-R256 HydrophobicContact CD2-CB 4.41Å
168	A	93.9	Very high	84.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-76.4	-10.9	176.4	0	0	0	0	0	114.1	I164 V165 R166 I170 F171 R173 F201 I291	I164-A168 WeakPolarHBondContact O-CB 3.47Å; I164-A168 PolarHBondContact O-N 3.49Å; V165-A168 PolarHBondContact O-N 2.88Å; R166-A168 VanDerWaalsContact C-N 3.27Å; R166-A168 PolarHBondContact O-N 2.97Å; A168-I170 PolarHBondContact O-N 3.1Å; A168-F171 HydrophobicContact CB-CD2 4.04Å; A168-F171 HydrophobicContact CB-CE2 3.88Å; A168-F171 WeakPolarHBondContact O-CD2 3.46Å; A168-F171 PolarHBondContact O-N 3.29Å; A168-R173 PolarHBondContact O-NH2 3.46Å; A168-F201 HydrophobicContact CB-CE1 3.9Å; A168-F201 HydrophobicContact CB-CZ 4.33Å; A168-I291 HydrophobicContact CB-CB 4.49Å; A168-I291 HydrophobicContact CB-CG1 4.02Å; A168-I291 HydrophobicContact CB-CG2 3.88Å
169	S	93.9	Very high	87.2	Confident	65 Å²	65	49.3 Å²	49.3	46%	0.455	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.7	179.4	74.8	0	0	0	0	113.6	V165 R166 L167 F171 K218	V165-S169 PolarHBondContact O-N 3.15Å; V165-S169 VanDerWaalsContact O-N 3.13Å; R166-S169 WeakPolarHBondContact O-CB 3.44Å; R166-S169 PolarHBondContact O-N 3.46Å; R166-S169 PolarHBondContact O-OG 3.46Å; L167-S169 VanDerWaalsContact C-N 3.29Å; L167-S169 PolarHBondContact O-N 3.22Å; S169-F171 PolarHBondContact O-N 2.98Å; S169-K218 PolarHBondContact O-NZ 2.77Å; S169-K218 VanDerWaalsContact O-NZ 3.12Å
170	I	95.7	Very high	89.5	Confident	27 Å²	27	44.3 Å²	44.3	14%	0.138	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.9	178.2	75.5	-175.4	0	0	0	112.5	A168 K218 N219 V253 I258	A168-I170 PolarHBondContact O-N 3.1Å; I170-K218 VanDerWaalsContact O-CD 3.24Å; I170-K218 WeakPolarHBondContact O-CD 3.19Å; I170-K218 WeakPolarHBondContact O-CE 3.32Å; I170-K218 PolarHBondContact O-NZ 3.37Å; I170-N219 PolarHBondContact O-ND2 3.29Å; I170-V253 HydrophobicContact CD1-CB 4.38Å; I170-V253 HydrophobicContact CD1-CG1 4Å; I170-V253 HydrophobicContact CD1-CG2 3.49Å; I170-V253 VanDerWaalsContact CD1-CG2 3.49Å; I170-V253 HydrophobicContact CG2-CG1 3.79Å; I170-I258 HydrophobicContact CD1-CD1 3.72Å
171	F	96.8	Very high	91.3	Very high	2 Å²	2	42 Å²	42	1%	0.009	21%	0.214	C	C	.	.	S	Bend	trans	-75.2	141.1	-176.4	-53.1	-41	0	0	0	111.5	A168 S169 I179 F201 I203 W211 I258 Y260	A168-F171 HydrophobicContact CB-CD2 4.04Å; A168-F171 HydrophobicContact CB-CE2 3.88Å; A168-F171 WeakPolarHBondContact O-CD2 3.46Å; A168-F171 PolarHBondContact O-N 3.29Å; S169-F171 PolarHBondContact O-N 2.98Å; F171-I179 HydrophobicContact CD2-CD1 4.42Å; F171-F201 HydrophobicContact CE2-CB 4.37Å; F171-F201 HydrophobicContact CE2-CD1 4.16Å; F171-F201 HydrophobicContact CE2-CD2 4.24Å; F171-F201 HydrophobicContact CE2-CG 4.01Å; F171-F201 HydrophobicContact CZ-CD2 4.03Å; F171-F201 HydrophobicContact CZ-CE2 4.43Å; F171-F201 HydrophobicContact CZ-CG 4.2Å; F171-I203 HydrophobicContact CB-CD1 4.26Å; F171-I203 HydrophobicContact CD1-CD1 4.08Å; F171-I203 HydrophobicContact CD2-CD1 3.78Å; F171-I203 HydrophobicContact CE1-CD1 4.4Å; F171-I203 HydrophobicContact CE2-CD1 4.1Å; F171-I203 HydrophobicContact CG-CD1 3.77Å; F171-I203 HydrophobicContact CZ-CD1 4.41Å; F171-W211 HydrophobicContact CB-CZ2 4.32Å; F171-I258 HydrophobicContact CE1-CD1 3.88Å; F171-I258 HydrophobicContact CZ-CD1 3.76Å; F171-Y260 HydrophobicContact CD1-CG 4.5Å; F171-Y260 AromaticContact CE1-CD1 3.59Å; F171-Y260 HydrophobicContact CE1-CD1 3.59Å; F171-Y260 HydrophobicContact CE1-CD2 4.21Å; F171-Y260 HydrophobicContact CE1-CE1 4.02Å; F171-Y260 AromaticContact CE1-CG 3.69Å; F171-Y260 HydrophobicContact CE1-CG 3.69Å; F171-Y260 HydrophobicContact CZ-CD1 4.1Å; F171-Y260 HydrophobicContact CZ-CG 4.04Å
172	P	97	Very high	92.5	Very high	11 Å²	11	38.9 Å²	38.9	7%	0.071	20%	0.199	C	C	.	.			trans	-57.3	142.6	165.5	-21	31.8	0	0	0	110.9	V176 W211 E214 N215	P172-V176 WeakPolarHBondContact O-CG2 3.42Å; P172-W211 HydrophobicContact CG-CZ2 4.49Å; P172-W211 PolarHBondContact O-NE1 3.02Å; P172-E214 HydrophobicContact CB-CB 4.03Å; P172-E214 HydrophobicContact CG-CB 4.01Å; P172-N215 WeakPolarHBondContact CD-OD1 3.24Å; P172-N215 HydrophobicContact CG-CB 3.75Å
173	R	95.3	Very high	93.2	Very high	110 Å²	110	34.8 Å²	34.8	42%	0.415	18%	0.176	S	C	.	.			trans	-100.5	-15.9	-179.8	-62.4	-60.2	-179.8	154.6	-1	113.7	A168 S175 V176	A168-R173 PolarHBondContact O-NH2 3.46Å; R173-S175 PolarHBondContact O-N 3.49Å; R173-V176 WeakPolarHBondContact O-CB 3.49Å; R173-V176 PolarHBondContact O-N 3.42Å
174	K	90	Very high	93	Very high	112 Å²	112	31.2 Å²	31.2	49%	0.487	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	137.7	178.3	-171.4	-176.8	178.3	177.1	0	110.6	V176 E214	K174-V176 PolarHBondContact O-N 2.81Å; K174-V176 VanDerWaalsContact O-N 3.1Å; K174-E214 WeakPolarHBondContact CB-OE2 3.35Å; K174-E214 VanDerWaalsContact CD-CD 3.46Å; K174-E214 WeakPolarHBondContact CD-OE1 3.5Å; K174-E214 IonicContact NZ-OE1 3.4Å; K174-E214 PolarHBondContact NZ-OE1 3.31Å
175	S	91.5	Very high	92.6	Very high	29 Å²	29	31.3 Å²	31.3	20%	0.203	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	9.3	-180	74.6	0	0	0	0	116	R173 S177 V205 D206	R173-S175 PolarHBondContact O-N 3.49Å; S175-S177 PolarHBondContact O-N 3.4Å; S175-V205 CarbonylContact O-C 3.43Å; S175-V205 WeakPolarHBondContact O-CA 3.18Å; S175-D206 PolarHBondContact O-N 3.41Å
176	V	97.6	Very high	92.1	Very high	19 Å²	19	28.9 Å²	28.9	12%	0.115	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	123.3	179.4	171.3	0	0	0	0	109.8	P172 R173 K174 I179 I203 V205 V292	P172-V176 WeakPolarHBondContact O-CG2 3.42Å; R173-V176 WeakPolarHBondContact O-CB 3.49Å; R173-V176 PolarHBondContact O-N 3.42Å; K174-V176 PolarHBondContact O-N 2.81Å; K174-V176 VanDerWaalsContact O-N 3.1Å; V176-I179 HydrophobicContact CG1-CD1 3.8Å; V176-I179 HydrophobicContact CG1-CG1 3.47Å; V176-I179 VanDerWaalsContact CG1-CG1 3.47Å; V176-I203 HydrophobicContact CG1-CG2 4.44Å; V176-I203 HydrophobicContact CG2-CG2 4.11Å; V176-V205 HydrophobicContact CG2-CG1 4.16Å; V176-V292 HydrophobicContact CG1-CB 4.47Å; V176-V292 HydrophobicContact CG1-CG1 4.4Å; V176-V292 HydrophobicContact CG1-CG2 4.38Å
177	S	96.8	Very high	91.4	Very high	2 Å²	2	23 Å²	23	1%	0.014	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-20.1	176.8	66.1	0	0	0	0	113.3	S175 A204 T265 Q295	S175-S177 PolarHBondContact O-N 3.4Å; S177-A204 PolarHBondContact N-O 3.45Å; S177-A204 WeakPolarHBondContact OG-CB 3.4Å; S177-A204 PolarHBondContact OG-O 3.05Å; S177-T265 WeakPolarHBondContact CB-OG1 3.24Å; S177-T265 WeakPolarHBondContact OG-CG2 3.35Å; S177-T265 PolarHBondContact OG-OG1 3.12Å; S177-Q295 WeakPolarHBondContact O-CG 3.41Å; S177-Q295 PolarHBondContact O-N 3.1Å
178	M	97.4	Very high	90.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	142.3	178.1	178.6	178.8	67.2	0	0	111	F180 A204 M284 F290 V292 P294 L299	M178-F180 HydrophobicContact CE-CD1 3.99Å; M178-F180 HydrophobicContact CE-CE1 3.89Å; M178-F180 HydrophobicContact CG-CD1 4.34Å; M178-F180 HydrophobicContact SD-CD1 4.23Å; M178-A204 HydrophobicContact CB-CB 4.05Å; M178-A204 HydrophobicContact CE-CB 4.16Å; M178-A204 PolarHBondContact N-O 2.94Å; M178-A204 PolarHBondContact O-N 2.85Å; M178-M284 HydrophobicContact CE-CE 4.43Å; M178-M284 HydrophobicContact CE-SD 4.09Å; M178-M284 HydrophobicContact SD-CE 4.14Å; M178-F290 HydrophobicContact CG-CD1 4.03Å; M178-F290 HydrophobicContact CG-CE1 3.8Å; M178-F290 HydrophobicContact SD-CD1 4.45Å; M178-F290 HydrophobicContact SD-CE1 3.63Å; M178-V292 WeakPolarHBondContact CA-O 3.24Å; M178-P294 HydrophobicContact CG-CG 4.32Å; M178-P294 HydrophobicContact SD-CB 4.45Å; M178-P294 HydrophobicContact SD-CG 3.74Å; M178-L299 HydrophobicContact CB-CD2 3.64Å; M178-L299 HydrophobicContact CE-CD1 4.3Å; M178-L299 HydrophobicContact CE-CD2 4.35Å; M178-L299 HydrophobicContact CG-CD2 4.48Å; M178-L299 HydrophobicContact SD-CD2 4.14Å; M178-L299 HydrophobicContact SD-CG 4.39Å
179	I	97	Very high	89.9	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	126.8	168.4	-54.4	-172.7	0	0	0	108.2	F171 V176 F201 V202 I203 I291 V292	F171-I179 HydrophobicContact CD2-CD1 4.42Å; V176-I179 HydrophobicContact CG1-CD1 3.8Å; V176-I179 HydrophobicContact CG1-CG1 3.47Å; V176-I179 VanDerWaalsContact CG1-CG1 3.47Å; I179-F201 HydrophobicContact CG2-CD1 4.34Å; I179-V202 WeakPolarHBondContact CA-O 3.06Å; I179-I203 HydrophobicContact CD1-CG1 4.48Å; I179-I203 HydrophobicContact CD1-CG2 4.19Å; I179-I203 HydrophobicContact CG1-CG1 4.39Å; I179-I203 HydrophobicContact CG1-CG2 4.01Å; I179-I203 HydrophobicContact CG2-CG1 4.3Å; I179-I291 HydrophobicContact CB-CB 4.12Å; I179-I291 HydrophobicContact CG2-CB 3.97Å; I179-I291 HydrophobicContact CG2-CD1 4.36Å; I179-I291 HydrophobicContact CG2-CG1 4.47Å; I179-I291 PolarHBondContact O-N 3.13Å; I179-V292 HydrophobicContact CB-CB 4.08Å; I179-V292 HydrophobicContact CB-CG2 4.14Å; I179-V292 HydrophobicContact CD1-CG2 4.04Å; I179-V292 HydrophobicContact CG1-CB 4.09Å; I179-V292 HydrophobicContact CG1-CG2 3.91Å; I179-V292 PolarHBondContact N-O 2.81Å; I179-V292 PolarHBondContact O-N 2.84Å
180	F	95.3	Very high	88.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.5	170.5	68.6	-93.7	0	0	0	111.8	M178 Y182 F201 V202 V280 M284 V288 R289 F290	M178-F180 HydrophobicContact CE-CD1 3.99Å; M178-F180 HydrophobicContact CE-CE1 3.89Å; M178-F180 HydrophobicContact CG-CD1 4.34Å; M178-F180 HydrophobicContact SD-CD1 4.23Å; F180-Y182 HydrophobicContact CD2-CD1 4.02Å; F180-Y182 HydrophobicContact CD2-CG 4.46Å; F180-Y182 AromaticContact CE2-CD1 3.69Å; F180-Y182 HydrophobicContact CE2-CD1 3.69Å; F180-Y182 HydrophobicContact CE2-CE1 4.42Å; F180-Y182 HydrophobicContact CE2-CG 4.11Å; F180-F201 CarbonylContact O-C 3.55Å; F180-F201 WeakPolarHBondContact O-CA 3.39Å; F180-V202 HydrophobicContact CD1-CB 4.13Å; F180-V202 HydrophobicContact CE1-CB 3.54Å; F180-V202 HydrophobicContact CE1-CG1 3.82Å; F180-V202 HydrophobicContact CE1-CG2 4.16Å; F180-V202 HydrophobicContact CE2-CB 3.97Å; F180-V202 HydrophobicContact CE2-CG2 3.85Å; F180-V202 HydrophobicContact CZ-CB 3.45Å; F180-V202 VanDerWaalsContact CZ-CB 3.45Å; F180-V202 HydrophobicContact CZ-CG1 3.99Å; F180-V202 HydrophobicContact CZ-CG2 3.54Å; F180-V202 PolarHBondContact N-O 2.88Å; F180-V202 VanDerWaalsContact N-O 3.09Å; F180-V202 PolarHBondContact O-N 2.82Å; F180-V280 HydrophobicContact CE1-CG1 4.24Å; F180-V280 HydrophobicContact CZ-CG1 4.11Å; F180-M284 HydrophobicContact CD1-SD 4.12Å; F180-M284 HydrophobicContact CE1-CE 4.47Å; F180-M284 HydrophobicContact CE1-CG 3.9Å; F180-M284 HydrophobicContact CE1-SD 3.45Å; F180-M284 WeakPolarHBondContact CE1-SD 3.44Å; F180-M284 HydrophobicContact CE2-CG 4.08Å; F180-M284 HydrophobicContact CZ-CG 3.58Å; F180-M284 HydrophobicContact CZ-SD 3.77Å; F180-V288 HydrophobicContact CB-CB 4.27Å; F180-V288 HydrophobicContact CB-CG2 4.12Å; F180-V288 HydrophobicContact CD2-CB 3.85Å; F180-V288 HydrophobicContact CD2-CG1 3.76Å; F180-V288 HydrophobicContact CD2-CG2 4.21Å; F180-V288 HydrophobicContact CE2-CG1 4.02Å; F180-V288 HydrophobicContact CG-CB 4.34Å; F180-V288 HydrophobicContact CG-CG2 4.27Å; F180-R289 CarbonylContact C-O 3.58Å; F180-R289 WeakPolarHBondContact CA-O 3.5Å; F180-R289 WeakPolarHBondContact CB-O 3.3Å; F180-F290 HydrophobicContact CB-CD1 3.77Å; F180-F290 HydrophobicContact CB-CE1 3.88Å; F180-F290 HydrophobicContact CB-CG 4.4Å; F180-F290 HydrophobicContact CD1-CE1 4.33Å; F180-F290 HydrophobicContact CG-CE1 4.44Å
181	A	94.5	Very high	87.8	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	143.6	170.3	0	0	0	0	0	109.8	I164 V186 D200 F201 R289 I291	I164-A181 HydrophobicContact CG2-CB 4.01Å; A181-V186 HydrophobicContact CB-CG1 4.22Å; A181-V186 HydrophobicContact CB-CG2 3.67Å; A181-D200 CarbonylContact C-O 3.55Å; A181-D200 VanDerWaalsContact CA-O 3.24Å; A181-D200 WeakPolarHBondContact CA-O 3.44Å; A181-F201 HydrophobicContact CB-CD1 3.73Å; A181-F201 HydrophobicContact CB-CE1 3.67Å; A181-F201 HydrophobicContact CB-CZ 4.43Å; A181-R289 PolarHBondContact N-O 2.7Å; A181-R289 PolarHBondContact O-N 3.37Å; A181-I291 HydrophobicContact CB-CD1 3.71Å
182	Y	92.5	Very high	86.5	Confident	18 Å²	18	42.2 Å²	42.2	7%	0.071	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	176.5	-176.5	70.9	-77.5	0	0	0	111.5	F180 V186 D200 V202 R283	F180-Y182 HydrophobicContact CD2-CD1 4.02Å; F180-Y182 HydrophobicContact CD2-CG 4.46Å; F180-Y182 AromaticContact CE2-CD1 3.69Å; F180-Y182 HydrophobicContact CE2-CD1 3.69Å; F180-Y182 HydrophobicContact CE2-CE1 4.42Å; F180-Y182 HydrophobicContact CE2-CG 4.11Å; Y182-V186 WeakPolarHBondContact O-CG2 3.27Å; Y182-D200 HydrophobicContact CD1-CB 3.98Å; Y182-D200 WeakPolarHBondContact CD1-O 3.42Å; Y182-D200 HydrophobicContact CD2-CB 4.38Å; Y182-D200 HydrophobicContact CE1-CB 3.51Å; Y182-D200 HydrophobicContact CE2-CB 3.97Å; Y182-D200 HydrophobicContact CG-CB 4.38Å; Y182-D200 PolarHBondContact N-O 3.07Å; Y182-V202 HydrophobicContact CD1-CG2 4.16Å; Y182-V202 HydrophobicContact CE1-CG2 3.56Å; Y182-R283 HydrophobicContact CD2-CB 4.25Å; Y182-R283 HydrophobicContact CD2-CG 3.96Å; Y182-R283 HydrophobicContact CE2-CB 4.47Å; Y182-R283 HydrophobicContact CE2-CG 3.76Å; Y182-R283 VanDerWaalsContact CZ-CD 3.47Å; Y182-R283 PolarHBondContact OH-NE 2.81Å
183	G	85.6	Confident	85.3	Confident	20 Å²	20	45.2 Å²	45.2	21%	0.206	22%	0.217	C	C	.	.	S	Bend	trans	85	-171.7	173.1	0	0	0	0	0	113.9	G185 V186 I187	G183-G185 PolarHBondContact O-N 2.92Å; G183-V186 PolarHBondContact O-N 3.32Å; G183-I187 PolarHBondContact O-N 3.46Å
184	S	81.5	Confident	84.1	Confident	32 Å²	32	42 Å²	42	22%	0.224	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.6	-169.5	55	0	0	0	0	115	V186 T194	S184-V186 VanDerWaalsContact C-N 3.32Å; S184-T194 WeakPolarHBondContact O-CG2 3.48Å
185	G	79.6	Confident	83.1	Confident	5 Å²	5	43.2 Å²	43.2	5%	0.052	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-13.7	173	0	0	0	0	0	113.7	G183 L199	G183-G185 PolarHBondContact O-N 2.92Å; G185-L199 VanDerWaalsContact O-CD2 3.23Å; G185-L199 WeakPolarHBondContact O-CD2 3.47Å
186	V	78.5	Confident	82.2	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.042	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-40.2	-172.3	-176.8	0	0	0	0	111	I164 A181 Y182 G183 S184 L199 R289	I164-V186 HydrophobicContact CD1-CG1 4.23Å; I164-V186 HydrophobicContact CD1-CG2 4.36Å; A181-V186 HydrophobicContact CB-CG1 4.22Å; A181-V186 HydrophobicContact CB-CG2 3.67Å; Y182-V186 WeakPolarHBondContact O-CG2 3.27Å; G183-V186 PolarHBondContact O-N 3.32Å; S184-V186 VanDerWaalsContact C-N 3.32Å; V186-L199 HydrophobicContact CG2-CD2 3.56Å; V186-R289 HydrophobicContact CG1-CB 3.91Å; V186-R289 HydrophobicContact CG1-CG 3.55Å
187	I	76.9	Confident	81.5	Confident	17 Å²	17	49.5 Å²	49.5	9%	0.087	25%	0.25	C	S	.	.	S	Bend	trans	-107	123.3	-177.3	-53.9	165.7	0	0	0	107.1	G183 P287 N358	G183-I187 PolarHBondContact O-N 3.46Å; I187-P287 WeakPolarHBondContact CD1-O 3.35Å; I187-N358 HydrophobicContact CG2-CB 4.48Å; I187-N358 VanDerWaalsContact CG2-CG 3.45Å; I187-N358 WeakPolarHBondContact CG2-ND2 3.43Å; I187-N358 WeakPolarHBondContact CG2-OD1 3.48Å
188	K	77.2	Confident	81.1	Confident	140 Å²	140	50.7 Å²	50.7	61%	0.609	26%	0.256	S	S	*	.			trans	-61.3	143.2	179	-67.9	-177.1	179.6	-180	0	109.7	T194 A357 N358	K188-T194 HydrophobicContact CG-CG2 4.35Å; K188-A357 WeakPolarHBondContact O-CB 3.4Å; K188-N358 PolarHBondContact O-ND2 3.38Å
189	Q	77.4	Confident	80.8	Confident	13 Å²	13	50.9 Å²	50.9	6%	0.061	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-116.5	144	170.4	-64	-175	0.4	0	0	108	Q191 R192 I354	Q189-Q191 PolarHBondContact O-N 2.93Å; Q189-R192 HydrophobicContact CB-CB 4.11Å; Q189-R192 PolarHBondContact O-N 3.4Å; Q189-R192 VanDerWaalsContact O-N 3.17Å; Q189-I354 HydrophobicContact CG-CG1 3.98Å
190	W	73	Confident	80.7	Confident	117 Å²	117	52 Å²	52	44%	0.443	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	130.9	179.3	-175.3	-104.7	0	0	0	110.3	R192 N353 K356 A357	W190-R192 VanDerWaalsContact C-N 3.29Å; W190-R192 PolarHBondContact O-N 3.33Å; W190-N353 HydrophobicContact CB-CB 4.37Å; W190-N353 PolarHBondContact N-O 3.48Å; W190-K356 HydrophobicContact CD2-CD 4.38Å; W190-K356 HydrophobicContact CG-CD 4.45Å; W190-A357 HydrophobicContact CB-CB 4.39Å
191	Q	72.4	Confident	80.8	Confident	144 Å²	144	52 Å²	52	67%	0.673	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	34.8	-179.6	-65.5	171.9	-20.1	0	0	115.3	Q189 R486	Q189-Q191 PolarHBondContact O-N 2.93Å; Q191-R486 PolarHBondContact O-NH1 3.23Å
192	R	70.3	Confident	80.9	Confident	91 Å²	91	52 Å²	52	34%	0.343	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-141.9	127.7	177.9	-158.6	176.2	-177.6	119	7.4	112.7	Q189 W190 K479	Q189-R192 HydrophobicContact CB-CB 4.11Å; Q189-R192 PolarHBondContact O-N 3.4Å; Q189-R192 VanDerWaalsContact O-N 3.17Å; W190-R192 VanDerWaalsContact C-N 3.29Å; W190-R192 PolarHBondContact O-N 3.33Å; R192-K479 VanDerWaalsContact CZ-CE 3.43Å
193	S	71.6	Confident	81.2	Confident	73 Å²	73	51.1 Å²	51.1	51%	0.51	26%	0.26	S	S	.	.			trans	-71.1	142.6	172.4	174.4	0	0	0	0	111.6	E195	S193-E195 WeakPolarHBondContact OG-CB 3.44Å; S193-E195 WeakPolarHBondContact OG-CG 3.39Å; S193-E195 PolarHBondContact OG-N 2.87Å; S193-E195 VanDerWaalsContact OG-N 3.13Å; S193-E195 PolarHBondContact OG-OE2 3.11Å
194	T	69.9	Low	81.8	Confident	43 Å²	43	50.2 Å²	50.2	26%	0.264	25%	0.25	S	C	.	.	S	Bend	trans	-91.5	-8.7	174.2	57.2	0	0	0	0	112.7	S184 K188 N196 A197 R256	S184-T194 WeakPolarHBondContact O-CG2 3.48Å; K188-T194 HydrophobicContact CG-CG2 4.35Å; T194-N196 PolarHBondContact O-N 3.4Å; T194-A197 WeakPolarHBondContact O-CB 3.11Å; T194-A197 PolarHBondContact O-N 3.08Å; T194-A197 VanDerWaalsContact O-N 3.13Å; T194-R256 PolarHBondContact O-NH2 2.98Å
195	E	68.1	Low	82.6	Confident	137 Å²	137	48.7 Å²	48.7	64%	0.64	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-39.4	-168.9	-72.2	172	161.8	0	0	113.5	S193 R256	S193-E195 WeakPolarHBondContact OG-CB 3.44Å; S193-E195 WeakPolarHBondContact OG-CG 3.39Å; S193-E195 PolarHBondContact OG-N 2.87Å; S193-E195 VanDerWaalsContact OG-N 3.13Å; S193-E195 PolarHBondContact OG-OE2 3.11Å; E195-R256 PolarHBondContact O-NH1 3.13Å; E195-R256 PolarHBondContact O-NH2 2.83Å
196	N	73	Confident	83.4	Confident	164 Å²	164	52.5 Å²	52.5	88%	0.877	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	6	179.1	-69.1	-38.3	0	0	0	113.2	T194	T194-N196 PolarHBondContact O-N 3.4Å
197	A	83.5	Confident	84.3	Confident	17 Å²	17	55 Å²	55	14%	0.14	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-75	136.2	-179.8	0	0	0	0	0	110.9	T194 R256	T194-A197 WeakPolarHBondContact O-CB 3.11Å; T194-A197 PolarHBondContact O-N 3.08Å; T194-A197 VanDerWaalsContact O-N 3.13Å; A197-R256 PolarHBondContact O-NH2 3.19Å
198	M	88	Confident	85.2	Confident	26 Å²	26	54.6 Å²	54.6	13%	0.128	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-62.6	136.2	173.5	-168.8	-176.1	-46.3	0	0	109.8	M250 L257 K259 Y472	M198-M250 HydrophobicContact CE-SD 3.43Å; M198-M250 WeakPolarHBondContact CE-SD 3.42Å; M198-L257 VanDerWaalsContact CA-O 3.31Å; M198-L257 WeakPolarHBondContact CA-O 3.44Å; M198-L257 HydrophobicContact CG-CB 4.22Å; M198-L257 VanDerWaalsContact CG-O 3.31Å; M198-L257 WeakPolarHBondContact CG-O 3.28Å; M198-K259 HydrophobicContact CG-CB 4.33Å; M198-K259 HydrophobicContact SD-CB 3.61Å; M198-Y472 HydrophobicContact CE-CD2 4.33Å; M198-Y472 HydrophobicContact CE-CE2 4.49Å
199	L	91.1	Very high	86.2	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.2	175.4	-71.9	164.7	0	0	0	109.8	I164 L167 G185 V186 F201 L257 I258 K259	I164-L199 HydrophobicContact CD1-CD2 4.28Å; I164-L199 HydrophobicContact CG1-CD2 4.3Å; L167-L199 HydrophobicContact CD1-CD1 3.27Å; G185-L199 VanDerWaalsContact O-CD2 3.23Å; G185-L199 WeakPolarHBondContact O-CD2 3.47Å; V186-L199 HydrophobicContact CG2-CD2 3.56Å; L199-F201 HydrophobicContact CB-CE2 3.83Å; L199-F201 HydrophobicContact CB-CZ 4.32Å; L199-L257 PolarHBondContact N-O 2.89Å; L199-L257 VanDerWaalsContact N-O 3.09Å; L199-I258 HydrophobicContact CB-CG2 4.19Å; L199-I258 CarbonylContact O-C 3.45Å; L199-I258 VanDerWaalsContact O-CA 3.32Å; L199-I258 WeakPolarHBondContact O-CA 3.22Å; L199-K259 PolarHBondContact O-N 2.93Å
200	D	94.6	Very high	87.1	Confident	22 Å²	22	54.2 Å²	54.2	12%	0.118	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.8	178.4	-69.3	-82.9	0	0	0	110.6	A181 Y182 K259	A181-D200 CarbonylContact C-O 3.55Å; A181-D200 VanDerWaalsContact CA-O 3.24Å; A181-D200 WeakPolarHBondContact CA-O 3.44Å; Y182-D200 HydrophobicContact CD1-CB 3.98Å; Y182-D200 WeakPolarHBondContact CD1-O 3.42Å; Y182-D200 HydrophobicContact CD2-CB 4.38Å; Y182-D200 HydrophobicContact CE1-CB 3.51Å; Y182-D200 HydrophobicContact CE2-CB 3.97Å; Y182-D200 HydrophobicContact CG-CB 4.38Å; Y182-D200 PolarHBondContact N-O 3.07Å; D200-K259 CarbonylContact C-O 3.52Å; D200-K259 VanDerWaalsContact CA-O 3.3Å; D200-K259 WeakPolarHBondContact CA-O 3.31Å; D200-K259 WeakPolarHBondContact OD1-CD 3.36Å; D200-K259 WeakPolarHBondContact OD1-CE 3.25Å; D200-K259 WeakPolarHBondContact OD1-CG 3.36Å; D200-K259 IonicContact OD1-NZ 2.94Å; D200-K259 PolarHBondContact OD1-NZ 3.33Å
201	F	97	Very high	88.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147.3	175.9	-60	-92.1	0	0	0	111.5	I164 A168 F171 I179 F180 A181 L199 I258 K259 Y260 S261 I291	I164-F201 HydrophobicContact CG2-CE1 3.87Å; I164-F201 HydrophobicContact CG2-CZ 4.05Å; A168-F201 HydrophobicContact CB-CE1 3.9Å; A168-F201 HydrophobicContact CB-CZ 4.33Å; F171-F201 HydrophobicContact CE2-CB 4.37Å; F171-F201 HydrophobicContact CE2-CD1 4.16Å; F171-F201 HydrophobicContact CE2-CD2 4.24Å; F171-F201 HydrophobicContact CE2-CG 4.01Å; F171-F201 HydrophobicContact CZ-CD2 4.03Å; F171-F201 HydrophobicContact CZ-CE2 4.43Å; F171-F201 HydrophobicContact CZ-CG 4.2Å; I179-F201 HydrophobicContact CG2-CD1 4.34Å; F180-F201 CarbonylContact O-C 3.55Å; F180-F201 WeakPolarHBondContact O-CA 3.39Å; A181-F201 HydrophobicContact CB-CD1 3.73Å; A181-F201 HydrophobicContact CB-CE1 3.67Å; A181-F201 HydrophobicContact CB-CZ 4.43Å; L199-F201 HydrophobicContact CB-CE2 3.83Å; L199-F201 HydrophobicContact CB-CZ 4.32Å; F201-I258 HydrophobicContact CD2-CB 4.46Å; F201-I258 HydrophobicContact CE2-CB 4.13Å; F201-I258 HydrophobicContact CE2-CG2 4.11Å; F201-K259 PolarHBondContact N-O 3.13Å; F201-Y260 CarbonylContact O-C 3.49Å; F201-Y260 WeakPolarHBondContact O-CA 3.44Å; F201-S261 PolarHBondContact O-N 3.06Å; F201-I291 HydrophobicContact CD1-CD1 4.09Å; F201-I291 HydrophobicContact CE1-CD1 3.88Å; F201-I291 HydrophobicContact CE1-CG1 4.35Å
202	V	98	Very high	89.5	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.1	161.6	178.7	0	0	0	0	108.4	I179 F180 Y182 L245 S261 I263 V280	I179-V202 WeakPolarHBondContact CA-O 3.06Å; F180-V202 HydrophobicContact CD1-CB 4.13Å; F180-V202 HydrophobicContact CE1-CB 3.54Å; F180-V202 HydrophobicContact CE1-CG1 3.82Å; F180-V202 HydrophobicContact CE1-CG2 4.16Å; F180-V202 HydrophobicContact CE2-CB 3.97Å; F180-V202 HydrophobicContact CE2-CG2 3.85Å; F180-V202 HydrophobicContact CZ-CB 3.45Å; F180-V202 VanDerWaalsContact CZ-CB 3.45Å; F180-V202 HydrophobicContact CZ-CG1 3.99Å; F180-V202 HydrophobicContact CZ-CG2 3.54Å; F180-V202 PolarHBondContact N-O 2.88Å; F180-V202 VanDerWaalsContact N-O 3.09Å; F180-V202 PolarHBondContact O-N 2.82Å; Y182-V202 HydrophobicContact CD1-CG2 4.16Å; Y182-V202 HydrophobicContact CE1-CG2 3.56Å; V202-L245 HydrophobicContact CG1-CD2 4.36Å; V202-S261 CarbonylContact C-O 3.39Å; V202-S261 WeakPolarHBondContact CA-O 3.49Å; V202-I263 HydrophobicContact CG1-CG2 3.98Å; V202-V280 HydrophobicContact CG1-CG2 4.35Å
203	I	98.3	Very high	90.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	109.3	-177.8	-50.5	177.3	0	0	0	107.2	F171 V176 I179 V205 W211 Y260 S261 V262 I263	F171-I203 HydrophobicContact CB-CD1 4.26Å; F171-I203 HydrophobicContact CD1-CD1 4.08Å; F171-I203 HydrophobicContact CD2-CD1 3.78Å; F171-I203 HydrophobicContact CE1-CD1 4.4Å; F171-I203 HydrophobicContact CE2-CD1 4.1Å; F171-I203 HydrophobicContact CG-CD1 3.77Å; F171-I203 HydrophobicContact CZ-CD1 4.41Å; V176-I203 HydrophobicContact CG1-CG2 4.44Å; V176-I203 HydrophobicContact CG2-CG2 4.11Å; I179-I203 HydrophobicContact CD1-CG1 4.48Å; I179-I203 HydrophobicContact CD1-CG2 4.19Å; I179-I203 HydrophobicContact CG1-CG1 4.39Å; I179-I203 HydrophobicContact CG1-CG2 4.01Å; I179-I203 HydrophobicContact CG2-CG1 4.3Å; I203-V205 HydrophobicContact CG2-CG1 3.65Å; I203-W211 HydrophobicContact CD1-CH2 4.08Å; I203-W211 HydrophobicContact CD1-CZ2 3.66Å; I203-W211 HydrophobicContact CG2-CZ2 4.32Å; I203-Y260 HydrophobicContact CD1-CD2 4.11Å; I203-S261 PolarHBondContact N-O 3Å; I203-V262 WeakPolarHBondContact O-CA 3.47Å; I203-I263 PolarHBondContact O-N 3.28Å
204	A	98.2	Very high	92.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.4	171.5	0	0	0	0	0	109.2	S177 M178 I263 C268	S177-A204 PolarHBondContact N-O 3.45Å; S177-A204 WeakPolarHBondContact OG-CB 3.4Å; S177-A204 PolarHBondContact OG-O 3.05Å; M178-A204 HydrophobicContact CB-CB 4.05Å; M178-A204 HydrophobicContact CE-CB 4.16Å; M178-A204 PolarHBondContact N-O 2.94Å; M178-A204 PolarHBondContact O-N 2.85Å; A204-I263 CarbonylContact C-O 3.53Å; A204-I263 WeakPolarHBondContact CA-O 3.13Å; A204-I263 HydrophobicContact CB-CG2 4.18Å; A204-C268 HydrophobicContact CB-CB 4.38Å
205	V	98.1	Very high	93.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.9	-175.6	-55.9	0	0	0	0	111.1	S175 V176 I203 P208 W211 V262 I263 K264 T265	S175-V205 CarbonylContact O-C 3.43Å; S175-V205 WeakPolarHBondContact O-CA 3.18Å; V176-V205 HydrophobicContact CG2-CG1 4.16Å; I203-V205 HydrophobicContact CG2-CG1 3.65Å; V205-P208 HydrophobicContact CG2-CB 4.12Å; V205-P208 HydrophobicContact CG2-CG 3.89Å; V205-W211 HydrophobicContact CB-CB 4.27Å; V205-W211 HydrophobicContact CB-CG 4.32Å; V205-W211 HydrophobicContact CG1-CB 4.19Å; V205-W211 HydrophobicContact CG1-CD2 4.23Å; V205-W211 HydrophobicContact CG1-CG 3.7Å; V205-W211 HydrophobicContact CG2-CB 4.23Å; V205-V262 HydrophobicContact CG1-CG1 4.19Å; V205-V262 HydrophobicContact CG2-CG1 3.56Å; V205-I263 PolarHBondContact N-O 3.41Å; V205-K264 CarbonylContact O-C 3.47Å; V205-K264 VanDerWaalsContact O-CA 3.23Å; V205-K264 WeakPolarHBondContact O-CA 3.39Å; V205-T265 PolarHBondContact O-N 2.78Å; V205-T265 PolarHBondContact O-OG1 3.03Å
206	D	96.2	Very high	94.7	Very high	85 Å²	85	30.8 Å²	30.8	46%	0.455	17%	0.167	S	C	.	.	S	Bend	trans	-72.2	-39.2	-178	-63.4	-31.8	0	0	0	111.4	S175 T265	S175-D206 PolarHBondContact O-N 3.41Å; D206-T265 PolarHBondContact N-OG1 2.87Å; D206-T265 WeakPolarHBondContact OD1-CB 3.36Å; D206-T265 PolarHBondContact OD1-OG1 2.97Å
207	N	96.6	Very high	95.8	Very high	59 Å²	59	31.5 Å²	31.5	32%	0.316	16%	0.162	S	C	.	.			trans	-122.4	94.5	175.2	-169.5	-12	0	0	0	111.4	E209 D210 W211	N207-E209 VanDerWaalsContact C-N 3.27Å; N207-E209 PolarHBondContact O-N 2.83Å; N207-E209 WeakPolarHBondContact OD1-CB 3.41Å; N207-E209 PolarHBondContact OD1-N 2.87Å; N207-E209 VanDerWaalsContact OD1-N 3.11Å; N207-D210 HydrophobicContact CB-CB 4.16Å; N207-D210 PolarHBondContact ND2-OD1 2.82Å; N207-D210 PolarHBondContact ND2-OD2 2.78Å; N207-D210 PolarHBondContact O-N 2.92Å; N207-D210 PolarHBondContact OD1-N 2.92Å; N207-W211 PolarHBondContact O-N 2.91Å; N207-W211 VanDerWaalsContact O-N 3.09Å
208	P	97.4	Very high	96.4	Very high	10 Å²	10	36.2 Å²	36.2	7%	0.065	18%	0.18	C	C	.	.	H	α-helix	trans	-58.2	-33.7	176.9	-25.1	33.1	0	0	0	114.3	V205 H212 A235 K264	V205-P208 HydrophobicContact CG2-CB 4.12Å; V205-P208 HydrophobicContact CG2-CG 3.89Å; P208-H212 VanDerWaalsContact O-CB 3.28Å; P208-H212 WeakPolarHBondContact O-CB 3.37Å; P208-H212 PolarHBondContact O-CD2 3Å; P208-H212 VanDerWaalsContact O-CG 3.26Å; P208-H212 PolarHBondContact O-N 3.17Å; P208-A235 HydrophobicContact CB-CB 4.14Å; P208-K264 HydrophobicContact CG-CB 3.73Å; P208-K264 HydrophobicContact CG-CD 4.49Å; P208-K264 HydrophobicContact CG-CG 3.98Å
209	E	97.4	Very high	96.8	Very high	80 Å²	80	36 Å²	36	37%	0.374	18%	0.179	S	C	.	.	H	α-helix	trans	-64.2	-50.9	179.9	179	170.7	170.3	0	0	111.1	N207 W211 H212 A213 A231 R232 A235	N207-E209 VanDerWaalsContact C-N 3.27Å; N207-E209 PolarHBondContact O-N 2.83Å; N207-E209 WeakPolarHBondContact OD1-CB 3.41Å; N207-E209 PolarHBondContact OD1-N 2.87Å; N207-E209 VanDerWaalsContact OD1-N 3.11Å; E209-W211 PolarHBondContact O-N 3.09Å; E209-H212 PolarHBondContact O-N 2.92Å; E209-A213 WeakPolarHBondContact O-CB 3.49Å; E209-A213 PolarHBondContact O-N 2.77Å; E209-A231 HydrophobicContact CG-CB 4.42Å; E209-A231 WeakPolarHBondContact O-CB 3.37Å; E209-R232 HydrophobicContact CG-CB 4.28Å; E209-R232 WeakPolarHBondContact OE1-CB 3.48Å; E209-A235 HydrophobicContact CB-CB 4.11Å
210	D	97.3	Very high	96.9	Very high	65 Å²	65	43.6 Å²	43.6	35%	0.348	21%	0.207	S	C	.	.	H	α-helix	trans	-61.7	-45.2	177.8	-70.3	-13.2	0	0	0	111.4	N207 H212 A213 E214	N207-D210 HydrophobicContact CB-CB 4.16Å; N207-D210 PolarHBondContact ND2-OD1 2.82Å; N207-D210 PolarHBondContact ND2-OD2 2.78Å; N207-D210 PolarHBondContact O-N 2.92Å; N207-D210 PolarHBondContact OD1-N 2.92Å; D210-H212 PolarHBondContact O-N 3.35Å; D210-A213 WeakPolarHBondContact O-CB 3.49Å; D210-A213 PolarHBondContact O-N 2.88Å; D210-E214 PolarHBondContact O-N 2.79Å
211	W	98.1	Very high	96.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-43.4	179.4	-170	94.7	0	0	0	111.6	F171 P172 I203 V205 N207 E209 E214 N215 Y260 V262	F171-W211 HydrophobicContact CB-CZ2 4.32Å; P172-W211 HydrophobicContact CG-CZ2 4.49Å; P172-W211 PolarHBondContact O-NE1 3.02Å; I203-W211 HydrophobicContact CD1-CH2 4.08Å; I203-W211 HydrophobicContact CD1-CZ2 3.66Å; I203-W211 HydrophobicContact CG2-CZ2 4.32Å; V205-W211 HydrophobicContact CB-CB 4.27Å; V205-W211 HydrophobicContact CB-CG 4.32Å; V205-W211 HydrophobicContact CG1-CB 4.19Å; V205-W211 HydrophobicContact CG1-CD2 4.23Å; V205-W211 HydrophobicContact CG1-CG 3.7Å; V205-W211 HydrophobicContact CG2-CB 4.23Å; N207-W211 PolarHBondContact O-N 2.91Å; N207-W211 VanDerWaalsContact O-N 3.09Å; E209-W211 PolarHBondContact O-N 3.09Å; W211-E214 PolarHBondContact O-N 3.16Å; W211-N215 HydrophobicContact CD2-CB 4.46Å; W211-N215 HydrophobicContact CE3-CB 3.92Å; W211-N215 HydrophobicContact CH2-CB 3.83Å; W211-N215 HydrophobicContact CZ2-CB 4.4Å; W211-N215 HydrophobicContact CZ3-CB 3.54Å; W211-N215 WeakPolarHBondContact CZ3-ND2 3.41Å; W211-N215 WeakPolarHBondContact O-CB 3.45Å; W211-N215 PolarHBondContact O-N 3.2Å; W211-Y260 HydrophobicContact CH2-CD2 4.19Å; W211-Y260 AromaticContact CH2-CE2 3.81Å; W211-Y260 HydrophobicContact CH2-CE2 3.81Å; W211-Y260 HydrophobicContact CZ3-CE2 4.38Å; W211-V262 HydrophobicContact CD2-CG1 4.42Å; W211-V262 HydrophobicContact CD2-CG2 4.5Å; W211-V262 HydrophobicContact CE3-CG1 4.06Å; W211-V262 HydrophobicContact CE3-CG2 3.74Å; W211-V262 HydrophobicContact CH2-CG2 3.62Å; W211-V262 HydrophobicContact CZ2-CG2 4.36Å; W211-V262 HydrophobicContact CZ3-CB 4.47Å; W211-V262 HydrophobicContact CZ3-CG1 4.45Å; W211-V262 HydrophobicContact CZ3-CG2 3.27Å
212	H	97.6	Very high	96.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-41	176	-77.3	-51.8	0	0	0	111.7	P208 E209 D210 E214 N215 M216 Y223 A231 Q238 Y246	P208-H212 VanDerWaalsContact O-CB 3.28Å; P208-H212 WeakPolarHBondContact O-CB 3.37Å; P208-H212 PolarHBondContact O-CD2 3Å; P208-H212 VanDerWaalsContact O-CG 3.26Å; P208-H212 PolarHBondContact O-N 3.17Å; E209-H212 PolarHBondContact O-N 2.92Å; D210-H212 PolarHBondContact O-N 3.35Å; H212-E214 VanDerWaalsContact C-N 3.33Å; H212-E214 PolarHBondContact O-N 3.16Å; H212-N215 PolarHBondContact O-N 3.06Å; H212-M216 HydrophobicContact CB-CE 4.38Å; H212-M216 VanDerWaalsContact O-CB 3.31Å; H212-M216 WeakPolarHBondContact O-CB 3.42Å; H212-M216 WeakPolarHBondContact O-CG 3.3Å; H212-M216 PolarHBondContact O-N 3.48Å; H212-Y223 AromaticContact ND1-CE1 3.62Å; H212-Y223 AromaticContact ND1-CZ 3.66Å; H212-Y223 PolarHBondContact ND1-OH 2.96Å; H212-A231 HydrophobicContact CB-CB 3.98Å; H212-Q238 PolarHBondContact NE2-OE1 2.85Å; H212-Y246 AromaticContact CE1-CG 3.96Å
213	A	97.4	Very high	96.5	Very high	35 Å²	35	54.8 Å²	54.8	29%	0.289	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-44.3	176.6	0	0	0	0	0	111.5	E209 D210 M216 K217 A231	E209-A213 WeakPolarHBondContact O-CB 3.49Å; E209-A213 PolarHBondContact O-N 2.77Å; D210-A213 WeakPolarHBondContact O-CB 3.49Å; D210-A213 PolarHBondContact O-N 2.88Å; A213-M216 PolarHBondContact O-N 3.24Å; A213-K217 WeakPolarHBondContact O-CG 3.48Å; A213-K217 PolarHBondContact O-N 3.45Å; A213-K217 VanDerWaalsContact O-N 3.16Å; A213-A231 HydrophobicContact CB-CB 3.76Å
214	E	97.3	Very high	96.2	Very high	54 Å²	54	55.3 Å²	55.3	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	-69.1	-42.6	177.2	-70.7	-174.6	-179.7	0	0	112.6	P172 K174 D210 W211 H212 M216 K217 K218	P172-E214 HydrophobicContact CB-CB 4.03Å; P172-E214 HydrophobicContact CG-CB 4.01Å; K174-E214 WeakPolarHBondContact CB-OE2 3.35Å; K174-E214 VanDerWaalsContact CD-CD 3.46Å; K174-E214 WeakPolarHBondContact CD-OE1 3.5Å; K174-E214 IonicContact NZ-OE1 3.4Å; K174-E214 PolarHBondContact NZ-OE1 3.31Å; D210-E214 PolarHBondContact O-N 2.79Å; W211-E214 PolarHBondContact O-N 3.16Å; H212-E214 VanDerWaalsContact C-N 3.33Å; H212-E214 PolarHBondContact O-N 3.16Å; E214-M216 VanDerWaalsContact C-N 3.27Å; E214-M216 PolarHBondContact O-N 2.62Å; E214-K217 WeakPolarHBondContact O-CB 3.45Å; E214-K217 PolarHBondContact O-N 3.28Å; E214-K217 VanDerWaalsContact O-N 3.12Å; E214-K218 PolarHBondContact O-N 2.7Å
215	N	97.5	Very high	95.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.7	-29.8	177.5	-166.5	50.1	0	0	0	111.5	P172 W211 H212 K217 N219 Y223 Y260	P172-N215 WeakPolarHBondContact CD-OD1 3.24Å; P172-N215 HydrophobicContact CG-CB 3.75Å; W211-N215 HydrophobicContact CD2-CB 4.46Å; W211-N215 HydrophobicContact CE3-CB 3.92Å; W211-N215 HydrophobicContact CH2-CB 3.83Å; W211-N215 HydrophobicContact CZ2-CB 4.4Å; W211-N215 HydrophobicContact CZ3-CB 3.54Å; W211-N215 WeakPolarHBondContact CZ3-ND2 3.41Å; W211-N215 WeakPolarHBondContact O-CB 3.45Å; W211-N215 PolarHBondContact O-N 3.2Å; H212-N215 PolarHBondContact O-N 3.06Å; N215-K217 VanDerWaalsContact C-N 3.35Å; N215-N219 CarbonylContact O-C 3.54Å; N215-N219 VanDerWaalsContact O-C 3.31Å; N215-N219 VanDerWaalsContact O-CA 3.23Å; N215-N219 WeakPolarHBondContact O-CA 3.4Å; N215-N219 VanDerWaalsContact O-CB 3.32Å; N215-N219 WeakPolarHBondContact O-CB 3.39Å; N215-N219 PolarHBondContact O-N 3.27Å; N215-N219 WeakPolarHBondContact OD1-CB 3.45Å; N215-N219 PolarHBondContact OD1-ND2 2.82Å; N215-Y223 HydrophobicContact CB-CE2 4.27Å; N215-Y223 WeakPolarHBondContact CB-OH 3.22Å; N215-Y223 VanDerWaalsContact ND2-CE2 3.27Å; N215-Y223 WeakPolarHBondContact ND2-CE2 3.33Å; N215-Y223 PolarHBondContact ND2-OH 3.41Å; N215-Y223 VanDerWaalsContact ND2-OH 3.09Å; N215-Y260 PolarHBondContact ND2-OH 2.85Å
216	M	96.5	Very high	95.5	Very high	23 Å²	23	61.2 Å²	61.2	11%	0.113	28%	0.279	C	S	.	.	H	α-helix	trans	-71	-29.1	172.7	-75.3	178.6	-166.4	0	0	112.5	H212 A213 E214 R220 Y223 R227 A231 V234	H212-M216 HydrophobicContact CB-CE 4.38Å; H212-M216 VanDerWaalsContact O-CB 3.31Å; H212-M216 WeakPolarHBondContact O-CB 3.42Å; H212-M216 WeakPolarHBondContact O-CG 3.3Å; H212-M216 PolarHBondContact O-N 3.48Å; A213-M216 PolarHBondContact O-N 3.24Å; E214-M216 VanDerWaalsContact C-N 3.27Å; E214-M216 PolarHBondContact O-N 2.62Å; M216-R220 WeakPolarHBondContact O-CA 3.49Å; M216-R220 WeakPolarHBondContact O-CB 3.41Å; M216-R220 PolarHBondContact O-N 2.99Å; M216-Y223 HydrophobicContact CE-CD1 3.99Å; M216-Y223 HydrophobicContact CE-CE1 3.85Å; M216-Y223 HydrophobicContact CE-CG 4.45Å; M216-Y223 HydrophobicContact CG-CD2 3.89Å; M216-Y223 HydrophobicContact CG-CE2 3.61Å; M216-Y223 HydrophobicContact CG-CG 4.43Å; M216-R227 HydrophobicContact CE-CB 4.26Å; M216-R227 HydrophobicContact SD-CB 4.27Å; M216-A231 HydrophobicContact SD-CB 4.44Å; M216-V234 HydrophobicContact CE-CB 3.95Å; M216-V234 HydrophobicContact CE-CG1 4.19Å; M216-V234 HydrophobicContact CE-CG2 3.57Å
217	K	96.3	Very high	95.3	Very high	179 Å²	179	60.4 Å²	60.4	78%	0.778	27%	0.27	S	S	*	.	H	α-helix	trans	-70.3	-48.6	171.4	-69.2	172.5	-176.9	-179.5	0	111.2	A213 E214 N215	A213-K217 WeakPolarHBondContact O-CG 3.48Å; A213-K217 PolarHBondContact O-N 3.45Å; A213-K217 VanDerWaalsContact O-N 3.16Å; E214-K217 WeakPolarHBondContact O-CB 3.45Å; E214-K217 PolarHBondContact O-N 3.28Å; E214-K217 VanDerWaalsContact O-N 3.12Å; N215-K217 VanDerWaalsContact C-N 3.35Å
218	K	96	Very high	95.2	Very high	117 Å²	117	64.6 Å²	64.6	51%	0.509	29%	0.285	S	S	.	.	H	α-helix	trans	-77.1	-41.3	-175.9	-169.7	172.1	176.4	-174.7	0	113.3	S169 I170 E214	S169-K218 PolarHBondContact O-NZ 2.77Å; S169-K218 VanDerWaalsContact O-NZ 3.12Å; I170-K218 VanDerWaalsContact O-CD 3.24Å; I170-K218 WeakPolarHBondContact O-CD 3.19Å; I170-K218 WeakPolarHBondContact O-CE 3.32Å; I170-K218 PolarHBondContact O-NZ 3.37Å; E214-K218 PolarHBondContact O-N 2.7Å
219	N	96.1	Very high	95	Very high	20 Å²	20	70.2 Å²	70.2	11%	0.107	31%	0.309	C	S	.	.			trans	-133.6	41	-164	-63.2	-48.2	0	0	0	112.4	I170 N215 R221 H222	I170-N219 PolarHBondContact O-ND2 3.29Å; N215-N219 CarbonylContact O-C 3.54Å; N215-N219 VanDerWaalsContact O-C 3.31Å; N215-N219 VanDerWaalsContact O-CA 3.23Å; N215-N219 WeakPolarHBondContact O-CA 3.4Å; N215-N219 VanDerWaalsContact O-CB 3.32Å; N215-N219 WeakPolarHBondContact O-CB 3.39Å; N215-N219 PolarHBondContact O-N 3.27Å; N215-N219 WeakPolarHBondContact OD1-CB 3.45Å; N215-N219 PolarHBondContact OD1-ND2 2.82Å; N219-R221 PolarHBondContact O-N 3.29Å; N219-H222 VanDerWaalsContact CB-CE1 3.46Å; N219-H222 WeakPolarHBondContact CB-CE1 3.22Å; N219-H222 WeakPolarHBondContact CB-ND1 3.42Å; N219-H222 WeakPolarHBondContact O-CB 3.26Å; N219-H222 PolarHBondContact O-N 3.17Å
220	R	94	Very high	94.9	Very high	166 Å²	166	67.8 Å²	67.8	63%	0.626	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-49	-38.1	-172.6	-160.8	169.3	70.8	160.1	-0.5	114.6	M216 H222 R227	M216-R220 WeakPolarHBondContact O-CA 3.49Å; M216-R220 WeakPolarHBondContact O-CB 3.41Å; M216-R220 PolarHBondContact O-N 2.99Å; R220-H222 PolarHBondContact O-N 3.25Å; R220-R227 WeakPolarHBondContact O-CD 3.25Å
221	R	93.1	Very high	94.9	Very high	227 Å²	227	65.4 Å²	65.4	86%	0.857	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-71.3	-11.5	-176.8	-66.3	-178.1	175.8	170	-0.6	113.8	N219 Y223	N219-R221 PolarHBondContact O-N 3.29Å; R221-Y223 VanDerWaalsContact C-N 3.35Å
222	H	94.3	Very high	94.8	Very high	27 Å²	27	73.6 Å²	73.6	13%	0.125	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-71.7	-34.1	179.2	-63.6	-175.8	0	0	0	111.6	N219 R220 N248 V251 Y260	N219-H222 VanDerWaalsContact CB-CE1 3.46Å; N219-H222 WeakPolarHBondContact CB-CE1 3.22Å; N219-H222 WeakPolarHBondContact CB-ND1 3.42Å; N219-H222 WeakPolarHBondContact O-CB 3.26Å; N219-H222 PolarHBondContact O-N 3.17Å; R220-H222 PolarHBondContact O-N 3.25Å; H222-N248 PolarHBondContact O-OD1 3.07Å; H222-V251 HydrophobicContact CB-CG2 4.09Å; H222-V251 VanDerWaalsContact CD2-CG1 3.49Å; H222-V251 WeakPolarHBondContact CD2-CG1 3.38Å; H222-V251 VanDerWaalsContact CE1-CG1 3.41Å; H222-V251 WeakPolarHBondContact CE1-CG1 3.4Å; H222-V251 VanDerWaalsContact NE2-CG1 3.33Å; H222-V251 WeakPolarHBondContact NE2-CG1 2.93Å; H222-Y260 HydrophobicContact CB-CE1 4.39Å; H222-Y260 WeakPolarHBondContact CB-OH 3.29Å; H222-Y260 AromaticContact ND1-CE1 3.57Å; H222-Y260 AromaticContact ND1-CZ 3.66Å; H222-Y260 PolarHBondContact ND1-OH 2.99Å
223	Y	93.5	Very high	94.8	Very high	4 Å²	4	82 Å²	82	2%	0.016	36%	0.357	C	S	.	.	S	Bend	trans	-79.1	148	-178.1	-66.5	-96.2	0	0	0	112.6	H212 N215 M216 R221 R227 V234 Y246	H212-Y223 AromaticContact ND1-CE1 3.62Å; H212-Y223 AromaticContact ND1-CZ 3.66Å; H212-Y223 PolarHBondContact ND1-OH 2.96Å; N215-Y223 HydrophobicContact CB-CE2 4.27Å; N215-Y223 WeakPolarHBondContact CB-OH 3.22Å; N215-Y223 VanDerWaalsContact ND2-CE2 3.27Å; N215-Y223 WeakPolarHBondContact ND2-CE2 3.33Å; N215-Y223 PolarHBondContact ND2-OH 3.41Å; N215-Y223 VanDerWaalsContact ND2-OH 3.09Å; M216-Y223 HydrophobicContact CE-CD1 3.99Å; M216-Y223 HydrophobicContact CE-CE1 3.85Å; M216-Y223 HydrophobicContact CE-CG 4.45Å; M216-Y223 HydrophobicContact CG-CD2 3.89Å; M216-Y223 HydrophobicContact CG-CE2 3.61Å; M216-Y223 HydrophobicContact CG-CG 4.43Å; R221-Y223 VanDerWaalsContact C-N 3.35Å; Y223-R227 HydrophobicContact CG-CB 4.31Å; Y223-R227 PolarHBondContact O-NH1 3.36Å; Y223-V234 HydrophobicContact CE1-CG1 4.2Å; Y223-Y246 AromaticContact CD1-CE1 3.59Å; Y223-Y246 HydrophobicContact CD1-CE1 3.59Å; Y223-Y246 AromaticContact CD1-CZ 3.8Å; Y223-Y246 HydrophobicContact CE1-CD1 4.2Å; Y223-Y246 AromaticContact CE1-CE1 3.68Å; Y223-Y246 HydrophobicContact CE1-CE1 3.68Å
224	S	90.9	Very high	94.7	Very high	11 Å²	11	80.4 Å²	80.4	8%	0.077	34%	0.344	C	S	.	.			trans	-68	-167.7	166.7	74.3	0	0	0	0	112	L226 R227 I462 S463	S224-L226 PolarHBondContact O-N 3.09Å; S224-L226 PolarHBondContact OG-N 3.36Å; S224-R227 WeakPolarHBondContact O-CG 3.31Å; S224-R227 PolarHBondContact O-N 3.1Å; S224-R227 PolarHBondContact O-NH1 3.33Å; S224-I462 PolarHBondContact OG-O 2.98Å; S224-S463 VanDerWaalsContact CB-O 3.23Å; S224-S463 WeakPolarHBondContact CB-O 3.25Å; S224-S463 PolarHBondContact OG-O 2.9Å
225	F	91.4	Very high	94.6	Very high	105 Å²	105	78.4 Å²	78.4	46%	0.461	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-55.3	-21.6	174.9	73.2	-86.9	0	0	0	113.1	R227 F228 F229 I462	F225-R227 PolarHBondContact O-N 3.08Å; F225-F228 HydrophobicContact CB-CD2 4.27Å; F225-F228 WeakPolarHBondContact O-CB 3.4Å; F225-F228 WeakPolarHBondContact O-CD2 3.28Å; F225-F228 PolarHBondContact O-N 2.87Å; F225-F229 AromaticContact CD2-CE2 3.91Å; F225-F229 HydrophobicContact CD2-CE2 3.91Å; F225-F229 AromaticContact CE2-CE2 3.92Å; F225-F229 HydrophobicContact CE2-CE2 3.92Å; F225-I462 HydrophobicContact CE1-CG2 4.35Å; F225-I462 HydrophobicContact CZ-CG2 4.13Å
226	L	90.9	Very high	94.5	Very high	18 Å²	18	81.9 Å²	81.9	9%	0.094	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-55.7	-25.8	178.9	-67.7	-179	0	0	0	113.9	S224 F228 F229 V234 F237 Y246 I462	S224-L226 PolarHBondContact O-N 3.09Å; S224-L226 PolarHBondContact OG-N 3.36Å; L226-F228 PolarHBondContact O-N 3.34Å; L226-F229 HydrophobicContact CD2-CD2 4.3Å; L226-F229 HydrophobicContact CD2-CE2 4.35Å; L226-F229 PolarHBondContact O-N 3.24Å; L226-V234 HydrophobicContact CB-CG2 4.19Å; L226-F237 HydrophobicContact CD1-CD1 3.91Å; L226-F237 HydrophobicContact CD1-CE1 3.74Å; L226-F237 HydrophobicContact CD1-CZ 4.31Å; L226-Y246 HydrophobicContact CD1-CE2 3.84Å; L226-I462 HydrophobicContact CD1-CG2 4.23Å; L226-I462 HydrophobicContact CD2-CG2 4.35Å
227	R	92.6	Very high	94.4	Very high	69 Å²	69	83 Å²	83	26%	0.26	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-58.2	-27.9	176.1	72.1	-173.4	-178.7	-92.8	-1.2	113.6	M216 R220 Y223 S224 F225 F229 G230	M216-R227 HydrophobicContact CE-CB 4.26Å; M216-R227 HydrophobicContact SD-CB 4.27Å; R220-R227 WeakPolarHBondContact O-CD 3.25Å; Y223-R227 HydrophobicContact CG-CB 4.31Å; Y223-R227 PolarHBondContact O-NH1 3.36Å; S224-R227 WeakPolarHBondContact O-CG 3.31Å; S224-R227 PolarHBondContact O-N 3.1Å; S224-R227 PolarHBondContact O-NH1 3.33Å; F225-R227 PolarHBondContact O-N 3.08Å; R227-F229 PolarHBondContact O-N 3.08Å; R227-G230 PolarHBondContact O-N 2.93Å; R227-G230 VanDerWaalsContact O-N 3.11Å
228	F	92.7	Very high	94.4	Very high	146 Å²	146	74.5 Å²	74.5	64%	0.64	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-69.9	-18.5	-177.8	-64.7	-62.4	0	0	0	112.7	F225 L226 G230	F225-F228 HydrophobicContact CB-CD2 4.27Å; F225-F228 WeakPolarHBondContact O-CB 3.4Å; F225-F228 WeakPolarHBondContact O-CD2 3.28Å; F225-F228 PolarHBondContact O-N 2.87Å; L226-F228 PolarHBondContact O-N 3.34Å; F228-G230 VanDerWaalsContact C-N 3.3Å
229	F	94.3	Very high	94.2	Very high	129 Å²	129	71.5 Å²	71.5	57%	0.566	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-85.7	-1.8	173.9	-55.9	-68	0	0	0	113.6	F225 L226 R227 R233	F225-F229 AromaticContact CD2-CE2 3.91Å; F225-F229 HydrophobicContact CD2-CE2 3.91Å; F225-F229 AromaticContact CE2-CE2 3.92Å; F225-F229 HydrophobicContact CE2-CE2 3.92Å; L226-F229 HydrophobicContact CD2-CD2 4.3Å; L226-F229 HydrophobicContact CD2-CE2 4.35Å; L226-F229 PolarHBondContact O-N 3.24Å; R227-F229 PolarHBondContact O-N 3.08Å; F229-R233 HydrophobicContact CB-CB 3.83Å; F229-R233 HydrophobicContact CB-CG 4.13Å; F229-R233 WeakPolarHBondContact O-CG 3.48Å
230	G	95.7	Very high	94	Very high	29 Å²	29	74.2 Å²	74.2	30%	0.299	34%	0.342	S	S	.	.			trans	82.7	165.9	178.8	0	0	0	0	0	114.9	R227 F228 R232 R233 V234	R227-G230 PolarHBondContact O-N 2.93Å; R227-G230 VanDerWaalsContact O-N 3.11Å; F228-G230 VanDerWaalsContact C-N 3.3Å; G230-R232 PolarHBondContact O-N 3.19Å; G230-R233 PolarHBondContact O-N 2.94Å; G230-V234 PolarHBondContact O-N 2.91Å
231	A	96.7	Very high	93.7	Very high	14 Å²	14	68.5 Å²	68.5	12%	0.116	32%	0.323	C	S	.	.	H	α-helix	trans	-61.6	-40.2	-172.4	0	0	0	0	0	113.6	E209 H212 A213 M216 R233 V234 A235	E209-A231 HydrophobicContact CG-CB 4.42Å; E209-A231 WeakPolarHBondContact O-CB 3.37Å; H212-A231 HydrophobicContact CB-CB 3.98Å; A213-A231 HydrophobicContact CB-CB 3.76Å; M216-A231 HydrophobicContact SD-CB 4.44Å; A231-R233 PolarHBondContact O-N 3.06Å; A231-V234 PolarHBondContact O-N 3.01Å; A231-A235 WeakPolarHBondContact O-CB 3.24Å; A231-A235 PolarHBondContact O-N 3.49Å
232	R	96.9	Very high	93.5	Very high	173 Å²	173	59.6 Å²	59.6	65%	0.653	30%	0.295	S	S	*	.	H	α-helix	trans	-58	-45.8	178	-174.1	171.2	173.8	-174.4	0.2	113	E209 G230 A235 T236	E209-R232 HydrophobicContact CG-CB 4.28Å; E209-R232 WeakPolarHBondContact OE1-CB 3.48Å; G230-R232 PolarHBondContact O-N 3.19Å; R232-A235 PolarHBondContact O-N 2.88Å; R232-T236 WeakPolarHBondContact O-CB 3.47Å; R232-T236 PolarHBondContact O-N 2.72Å; R232-T236 PolarHBondContact O-OG1 3.02Å
233	R	95.8	Very high	93.4	Very high	175 Å²	175	58.6 Å²	58.6	66%	0.66	29%	0.292	S	S	*	.	H	α-helix	trans	-68.5	-38	178.8	-68.9	-67.1	-171.8	177.9	1.7	111	F229 G230 A231 T236 F237	F229-R233 HydrophobicContact CB-CB 3.83Å; F229-R233 HydrophobicContact CB-CG 4.13Å; F229-R233 WeakPolarHBondContact O-CG 3.48Å; G230-R233 PolarHBondContact O-N 2.94Å; A231-R233 PolarHBondContact O-N 3.06Å; R233-T236 PolarHBondContact O-N 3.29Å; R233-F237 WeakPolarHBondContact O-CB 3.37Å; R233-F237 PolarHBondContact O-N 3.34Å
234	V	95.9	Very high	93.6	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-44.8	173.3	168.7	0	0	0	0	111.7	M216 Y223 L226 G230 A231 T236 F237 Q238 Y246	M216-V234 HydrophobicContact CE-CB 3.95Å; M216-V234 HydrophobicContact CE-CG1 4.19Å; M216-V234 HydrophobicContact CE-CG2 3.57Å; Y223-V234 HydrophobicContact CE1-CG1 4.2Å; L226-V234 HydrophobicContact CB-CG2 4.19Å; G230-V234 PolarHBondContact O-N 2.91Å; A231-V234 PolarHBondContact O-N 3.01Å; V234-T236 PolarHBondContact O-N 3.25Å; V234-F237 PolarHBondContact O-N 2.96Å; V234-Q238 WeakPolarHBondContact O-CB 3.21Å; V234-Q238 PolarHBondContact O-N 2.59Å; V234-Y246 HydrophobicContact CG1-CD2 3.66Å; V234-Y246 HydrophobicContact CG1-CE2 3.59Å; V234-Y246 HydrophobicContact CG1-CG 4.18Å
235	A	96.4	Very high	93.8	Very high	11 Å²	11	59.7 Å²	59.7	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-37	176.1	0	0	0	0	0	112.7	P208 E209 A231 R232 Q238 T239	P208-A235 HydrophobicContact CB-CB 4.14Å; E209-A235 HydrophobicContact CB-CB 4.11Å; A231-A235 WeakPolarHBondContact O-CB 3.24Å; A231-A235 PolarHBondContact O-N 3.49Å; R232-A235 PolarHBondContact O-N 2.88Å; A235-Q238 WeakPolarHBondContact O-CB 3.43Å; A235-Q238 PolarHBondContact O-N 2.99Å; A235-T239 PolarHBondContact O-N 3.36Å; A235-T239 PolarHBondContact O-OG1 3.19Å
236	T	95.5	Very high	94.1	Very high	74 Å²	74	54.7 Å²	54.7	45%	0.454	27%	0.273	S	S	.	.	H	α-helix	trans	-65.3	-46.3	173.7	-55.2	0	0	0	0	110.5	R232 R233 V234 Q238 T239 A240	R232-T236 WeakPolarHBondContact O-CB 3.47Å; R232-T236 PolarHBondContact O-N 2.72Å; R232-T236 PolarHBondContact O-OG1 3.02Å; R233-T236 PolarHBondContact O-N 3.29Å; V234-T236 PolarHBondContact O-N 3.25Å; T236-Q238 VanDerWaalsContact C-N 3.32Å; T236-Q238 PolarHBondContact O-N 3.02Å; T236-T239 PolarHBondContact O-N 3.48Å; T236-T239 PolarHBondContact O-OG1 2.88Å; T236-A240 VanDerWaalsContact O-CB 3.32Å; T236-A240 WeakPolarHBondContact O-CB 3.41Å; T236-A240 PolarHBondContact O-N 3.46Å
237	F	93.7	Very high	94.3	Very high	47 Å²	47	54 Å²	54	21%	0.206	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-38.5	176	177.1	-101.9	0	0	0	112.5	L226 R233 V234 T239 I241 Y246 K459 I462	L226-F237 HydrophobicContact CD1-CD1 3.91Å; L226-F237 HydrophobicContact CD1-CE1 3.74Å; L226-F237 HydrophobicContact CD1-CZ 4.31Å; R233-F237 WeakPolarHBondContact O-CB 3.37Å; R233-F237 PolarHBondContact O-N 3.34Å; V234-F237 PolarHBondContact O-N 2.96Å; F237-T239 PolarHBondContact O-N 2.82Å; F237-I241 HydrophobicContact CD2-CD1 4.46Å; F237-I241 HydrophobicContact CE2-CD1 3.9Å; F237-I241 HydrophobicContact CZ-CD1 4.24Å; F237-Y246 HydrophobicContact CD1-CD2 4.11Å; F237-Y246 HydrophobicContact CD1-CE2 4.07Å; F237-Y246 HydrophobicContact CE1-CE2 4.39Å; F237-K459 HydrophobicContact CD1-CD 4.43Å; F237-K459 HydrophobicContact CE1-CD 3.88Å; F237-K459 HydrophobicContact CE1-CG 3.59Å; F237-K459 HydrophobicContact CZ-CD 4.19Å; F237-K459 HydrophobicContact CZ-CG 3.69Å; F237-I462 HydrophobicContact CZ-CB 4.26Å; F237-I462 HydrophobicContact CZ-CG2 4.18Å
238	Q	95	Very high	94.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-54.3	-51.6	175.1	173	173.8	-56	0	0	111.3	H212 V234 A235 T236 K244 Y246 V262 K459	H212-Q238 PolarHBondContact NE2-OE1 2.85Å; V234-Q238 WeakPolarHBondContact O-CB 3.21Å; V234-Q238 PolarHBondContact O-N 2.59Å; A235-Q238 WeakPolarHBondContact O-CB 3.43Å; A235-Q238 PolarHBondContact O-N 2.99Å; T236-Q238 VanDerWaalsContact C-N 3.32Å; T236-Q238 PolarHBondContact O-N 3.02Å; Q238-K244 WeakPolarHBondContact CG-O 3.23Å; Q238-K244 CarbonylContact O-C 3.54Å; Q238-K244 VanDerWaalsContact O-CA 3.25Å; Q238-K244 WeakPolarHBondContact O-CA 3.21Å; Q238-Y246 VanDerWaalsContact OE1-CB 3.23Å; Q238-V262 PolarHBondContact NE2-O 3.22Å; Q238-V262 PolarHBondContact OE1-O 3.04Å; Q238-K459 PolarHBondContact O-NZ 3.19Å
239	T	93.7	Very high	94.4	Very high	53 Å²	53	44.2 Å²	44.2	33%	0.325	23%	0.23	S	C	.	.	H	α-helix	trans	-86.9	-19.9	-168.9	51.5	0	0	0	0	114.2	A235 T236 F237 I241	A235-T239 PolarHBondContact O-N 3.36Å; A235-T239 PolarHBondContact O-OG1 3.19Å; T236-T239 PolarHBondContact O-N 3.48Å; T236-T239 PolarHBondContact O-OG1 2.88Å; F237-T239 PolarHBondContact O-N 2.82Å; T239-I241 VanDerWaalsContact C-N 3.3Å; T239-I241 PolarHBondContact O-N 3.07Å
240	A	90.6	Very high	94.1	Very high	78 Å²	78	39.5 Å²	39.5	65%	0.645	21%	0.21	S	C	*	.	H	α-helix	trans	-71.1	-20.8	-178.9	0	0	0	0	0	114.5	T236	T236-A240 VanDerWaalsContact O-CB 3.32Å; T236-A240 WeakPolarHBondContact O-CB 3.41Å; T236-A240 PolarHBondContact O-N 3.46Å
241	I	88	Confident	94	Very high	45 Å²	45	38.1 Å²	38.1	23%	0.231	20%	0.196	C	C	.	.	S	Bend	trans	-112.1	141.1	-174.5	-63.5	176.5	0	0	0	109.3	F237 T239 K244 C455 K459	F237-I241 HydrophobicContact CD2-CD1 4.46Å; F237-I241 HydrophobicContact CE2-CD1 3.9Å; F237-I241 HydrophobicContact CZ-CD1 4.24Å; T239-I241 VanDerWaalsContact C-N 3.3Å; T239-I241 PolarHBondContact O-N 3.07Å; I241-K244 WeakPolarHBondContact O-CA 3.32Å; I241-K244 PolarHBondContact O-N 3.35Å; I241-C455 HydrophobicContact CG2-CB 3.89Å; I241-K459 HydrophobicContact CB-CD 3.99Å; I241-K459 HydrophobicContact CD1-CB 4.14Å; I241-K459 HydrophobicContact CD1-CD 3.97Å; I241-K459 HydrophobicContact CD1-CG 4.22Å; I241-K459 HydrophobicContact CG1-CD 4.47Å; I241-K459 HydrophobicContact CG2-CB 4.26Å; I241-K459 HydrophobicContact CG2-CD 4.18Å
242	P	89.6	Confident	93.8	Very high	41 Å²	41	42 Å²	42	27%	0.266	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	156.3	175.8	-31.3	36	0	0	0	114.8	K244 C455 Q456	P242-K244 PolarHBondContact O-N 3.25Å; P242-C455 HydrophobicContact CB-CB 4.14Å; P242-C455 HydrophobicContact CG-CB 4.15Å; P242-Q456 PolarHBondContact O-OE1 3.23Å
243	A	92.1	Very high	93.6	Very high	6 Å²	6	34.4 Å²	34.4	5%	0.05	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	-25	-164.5	0	0	0	0	0	114.8	L245 Y279 A452 Q456	A243-L245 HydrophobicContact CB-CD1 3.68Å; A243-L245 WeakPolarHBondContact O-CD1 3.39Å; A243-L245 PolarHBondContact O-N 2.97Å; A243-L245 VanDerWaalsContact O-N 3.1Å; A243-Y279 HydrophobicContact CB-CD1 4.3Å; A243-Y279 HydrophobicContact CB-CD2 4.01Å; A243-Y279 HydrophobicContact CB-CG 3.69Å; A243-A452 HydrophobicContact CB-CB 4.46Å; A243-Q456 HydrophobicContact CB-CB 4.26Å; A243-Q456 HydrophobicContact CB-CG 4.44Å
244	K	96.1	Very high	93.3	Very high	37 Å²	37	30.2 Å²	30.2	16%	0.161	18%	0.183	C	C	.	.			trans	58.9	25	169.7	-54.8	177.3	-176.6	160.6	0	115.1	Q238 I241 P242 D267 E276	Q238-K244 WeakPolarHBondContact CG-O 3.23Å; Q238-K244 CarbonylContact O-C 3.54Å; Q238-K244 VanDerWaalsContact O-CA 3.25Å; Q238-K244 WeakPolarHBondContact O-CA 3.21Å; I241-K244 WeakPolarHBondContact O-CA 3.32Å; I241-K244 PolarHBondContact O-N 3.35Å; P242-K244 PolarHBondContact O-N 3.25Å; K244-D267 HydrophobicContact CB-CB 4.31Å; K244-D267 HydrophobicContact CD-CB 3.79Å; K244-D267 WeakPolarHBondContact CD-OD1 2.9Å; K244-D267 IonicContact NZ-OD1 3.11Å; K244-D267 PolarHBondContact NZ-OD1 2.71Å; K244-E276 VanDerWaalsContact CE-OE1 3.22Å; K244-E276 WeakPolarHBondContact CE-OE1 3.48Å; K244-E276 VanDerWaalsContact NZ-CD 3.26Å; K244-E276 IonicContact NZ-OE1 2.68Å; K244-E276 PolarHBondContact NZ-OE1 3.3Å; K244-E276 IonicContact NZ-OE2 3.06Å; K244-E276 PolarHBondContact NZ-OE2 3.46Å
245	L	96.7	Very high	92.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	23%	0.226	C	C	.	.			trans	-99.2	144	173.8	-56.3	101.1	0	0	0	113.2	V202 A243 V262 I263 Y279 V280 Q456 K459	V202-L245 HydrophobicContact CG1-CD2 4.36Å; A243-L245 HydrophobicContact CB-CD1 3.68Å; A243-L245 WeakPolarHBondContact O-CD1 3.39Å; A243-L245 PolarHBondContact O-N 2.97Å; A243-L245 VanDerWaalsContact O-N 3.1Å; L245-V262 CarbonylContact C-O 3.47Å; L245-V262 WeakPolarHBondContact CA-O 3.4Å; L245-I263 HydrophobicContact CD2-CB 4.28Å; L245-I263 HydrophobicContact CG-CB 4.14Å; L245-I263 HydrophobicContact CG-CD1 4.25Å; L245-I263 HydrophobicContact CG-CG1 4.48Å; L245-Y279 HydrophobicContact CD1-CD1 3.32Å; L245-Y279 HydrophobicContact CD1-CE1 3.89Å; L245-Y279 HydrophobicContact CD1-CG 3.99Å; L245-Y279 HydrophobicContact CD2-CD1 4.43Å; L245-V280 HydrophobicContact CD1-CG2 4.3Å; L245-V280 HydrophobicContact CD2-CG2 3.89Å; L245-V280 HydrophobicContact CG-CG2 4.42Å; L245-Q456 PolarHBondContact O-NE2 3.42Å; L245-K459 WeakPolarHBondContact O-CE 3.46Å; L245-K459 PolarHBondContact O-NZ 3.43Å
246	Y	96.5	Very high	92.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.5	163.7	-169.9	-81.2	0	0	0	109.8	H212 Y223 L226 V234 F237 Q238 S261 V262	H212-Y246 AromaticContact CE1-CG 3.96Å; Y223-Y246 AromaticContact CD1-CE1 3.59Å; Y223-Y246 HydrophobicContact CD1-CE1 3.59Å; Y223-Y246 AromaticContact CD1-CZ 3.8Å; Y223-Y246 HydrophobicContact CE1-CD1 4.2Å; Y223-Y246 AromaticContact CE1-CE1 3.68Å; Y223-Y246 HydrophobicContact CE1-CE1 3.68Å; L226-Y246 HydrophobicContact CD1-CE2 3.84Å; V234-Y246 HydrophobicContact CG1-CD2 3.66Å; V234-Y246 HydrophobicContact CG1-CE2 3.59Å; V234-Y246 HydrophobicContact CG1-CG 4.18Å; F237-Y246 HydrophobicContact CD1-CD2 4.11Å; F237-Y246 HydrophobicContact CD1-CE2 4.07Å; F237-Y246 HydrophobicContact CE1-CE2 4.39Å; Q238-Y246 VanDerWaalsContact OE1-CB 3.23Å; Y246-S261 CarbonylContact O-C 3.54Å; Y246-S261 VanDerWaalsContact O-CA 3.27Å; Y246-S261 WeakPolarHBondContact O-CA 3.44Å; Y246-V262 PolarHBondContact N-O 3.36Å; Y246-V262 PolarHBondContact O-N 3.04Å
247	C	95.3	Very high	92.4	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.027	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.4	-174.5	-178.8	0	0	0	0	111.6	K259 N460	C247-K259 WeakPolarHBondContact SG-CE 3.48Å; C247-N460 VanDerWaalsContact CB-OD1 3.23Å; C247-N460 WeakPolarHBondContact CB-OD1 3.43Å
248	N	94.6	Very high	92.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.8	162.8	-65.9	-80.3	0	0	0	108.3	H222 V251 K259 Y260	H222-N248 PolarHBondContact O-OD1 3.07Å; N248-V251 HydrophobicContact CB-CG2 4.32Å; N248-K259 CarbonylContact O-C 3.31Å; N248-K259 VanDerWaalsContact O-CA 3.28Å; N248-K259 WeakPolarHBondContact O-CA 3.47Å; N248-Y260 HydrophobicContact CB-CD1 4.09Å; N248-Y260 HydrophobicContact CB-CD2 4.26Å; N248-Y260 HydrophobicContact CB-CE1 3.58Å; N248-Y260 HydrophobicContact CB-CE2 3.77Å; N248-Y260 HydrophobicContact CB-CG 4.4Å; N248-Y260 PolarHBondContact N-O 2.95Å; N248-Y260 WeakPolarHBondContact ND2-CE2 3.44Å; N248-Y260 PolarHBondContact ND2-OH 3.45Å; N248-Y260 PolarHBondContact O-N 3.01Å
249	T	92.5	Very high	92.4	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	164	-176.8	-166.8	0	0	0	0	111.1	V251 A464 K468	T249-V251 VanDerWaalsContact C-N 3.28Å; T249-V251 PolarHBondContact O-N 3.3Å; T249-A464 HydrophobicContact CG2-CB 3.51Å; T249-K468 PolarHBondContact O-NZ 3.11Å
250	M	89.7	Confident	92.5	Very high	29 Å²	29	31.6 Å²	31.6	14%	0.143	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.2	47.1	-179.6	-57.2	-68.8	-69.2	0	0	111.4	M198 L257 I258 K468 R475	M198-M250 HydrophobicContact CE-SD 3.43Å; M198-M250 WeakPolarHBondContact CE-SD 3.42Å; M250-L257 HydrophobicContact CE-CD1 4.02Å; M250-L257 HydrophobicContact SD-CD1 4.32Å; M250-I258 PolarHBondContact N-O 3.21Å; M250-K468 HydrophobicContact CB-CD 4.17Å; M250-K468 HydrophobicContact CB-CG 4.33Å; M250-R475 VanDerWaalsContact CE-CZ 3.44Å; M250-R475 VanDerWaalsContact CE-NH1 3.31Å; M250-R475 PolarHBondContact SD-NH1 2.96Å; M250-R475 VanDerWaalsContact SD-NH1 3.37Å
251	V	93.3	Very high	92.8	Very high	1 Å²	1	28 Å²	28	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.8	179.7	176.5	0	0	0	0	108.2	H222 N248 T249 V253 I258 Y260	H222-V251 HydrophobicContact CB-CG2 4.09Å; H222-V251 VanDerWaalsContact CD2-CG1 3.49Å; H222-V251 WeakPolarHBondContact CD2-CG1 3.38Å; H222-V251 VanDerWaalsContact CE1-CG1 3.41Å; H222-V251 WeakPolarHBondContact CE1-CG1 3.4Å; H222-V251 VanDerWaalsContact NE2-CG1 3.33Å; H222-V251 WeakPolarHBondContact NE2-CG1 2.93Å; N248-V251 HydrophobicContact CB-CG2 4.32Å; T249-V251 VanDerWaalsContact C-N 3.28Å; T249-V251 PolarHBondContact O-N 3.3Å; V251-V253 HydrophobicContact CG1-CG2 3.87Å; V251-I258 HydrophobicContact CB-CG1 3.77Å; V251-I258 HydrophobicContact CG1-CD1 4.37Å; V251-I258 HydrophobicContact CG1-CG1 4.03Å; V251-I258 PolarHBondContact N-O 3.45Å; V251-I258 PolarHBondContact O-N 3.06Å; V251-Y260 HydrophobicContact CG2-CE1 4.01Å
252	P	92.6	Very high	93.3	Very high	96 Å²	96	25.9 Å²	25.9	62%	0.623	16%	0.16	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.9	176.5	31	-32.4	0	0	0	110.7	R256 L257	P252-R256 WeakPolarHBondContact CA-O 3.43Å; P252-L257 HydrophobicContact CB-CD2 4.26Å
253	V	92.4	Very high	93.7	Very high	12 Å²	12	24 Å²	24	7%	0.073	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	120.4	178.7	-171.9	0	0	0	0	107.4	L167 I170 V251 G255 R256 I258	L167-V253 HydrophobicContact CD2-CB 3.86Å; L167-V253 HydrophobicContact CD2-CG1 3.66Å; L167-V253 VanDerWaalsContact CD2-O 3.27Å; L167-V253 WeakPolarHBondContact CD2-O 3.3Å; I170-V253 HydrophobicContact CD1-CB 4.38Å; I170-V253 HydrophobicContact CD1-CG1 4Å; I170-V253 HydrophobicContact CD1-CG2 3.49Å; I170-V253 VanDerWaalsContact CD1-CG2 3.49Å; I170-V253 HydrophobicContact CG2-CG1 3.79Å; V251-V253 HydrophobicContact CG1-CG2 3.87Å; V253-G255 PolarHBondContact O-N 2.96Å; V253-G255 VanDerWaalsContact O-N 3.14Å; V253-R256 PolarHBondContact N-O 2.77Å; V253-R256 PolarHBondContact O-N 3.27Å; V253-I258 HydrophobicContact CG2-CD1 3.72Å; V253-I258 HydrophobicContact CG2-CG1 3.91Å; V253-I258 HydrophobicContact CG2-CG2 4.5Å
254	D	89	Confident	94	Very high	88 Å²	88	27.1 Å²	27.1	47%	0.471	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	45.1	179.6	-58.1	-27.8	0	0	0	113.9	R166 L167 R256	R166-D254 IonicContact CZ-OD2 2.83Å; R166-D254 IonicContact NE-OD2 2.77Å; R166-D254 PolarHBondContact NE-OD2 2.85Å; R166-D254 IonicContact NH1-OD2 2.73Å; R166-D254 PolarHBondContact NH1-OD2 3.33Å; R166-D254 IonicContact NH2-OD1 2.85Å; R166-D254 PolarHBondContact NH2-OD1 2.81Å; R166-D254 IonicContact NH2-OD2 2.7Å; R166-D254 PolarHBondContact NH2-OD2 3.13Å; L167-D254 HydrophobicContact CD2-CB 3.92Å; D254-R256 PolarHBondContact O-N 3.03Å
255	G	87.2	Confident	94	Very high	88 Å²	88	25.7 Å²	25.7	91%	0.907	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	-7	179.9	0	0	0	0	0	115.6	V253	V253-G255 PolarHBondContact O-N 2.96Å; V253-G255 VanDerWaalsContact O-N 3.14Å
256	R	89.4	Confident	93.8	Very high	73 Å²	73	26.6 Å²	26.6	28%	0.275	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	151.2	176.4	-66.2	-71	-66.4	-127.9	7.8	111.2	L167 T194 E195 A197 P252 V253 D254	L167-R256 HydrophobicContact CD1-CB 4.08Å; L167-R256 HydrophobicContact CD1-CG 4.19Å; L167-R256 HydrophobicContact CD2-CB 4.41Å; T194-R256 PolarHBondContact O-NH2 2.98Å; E195-R256 PolarHBondContact O-NH1 3.13Å; E195-R256 PolarHBondContact O-NH2 2.83Å; A197-R256 PolarHBondContact O-NH2 3.19Å; P252-R256 WeakPolarHBondContact CA-O 3.43Å; V253-R256 PolarHBondContact N-O 2.77Å; V253-R256 PolarHBondContact O-N 3.27Å; D254-R256 PolarHBondContact O-N 3.03Å
257	L	91.5	Very high	93.8	Very high	51 Å²	51	27.7 Å²	27.7	27%	0.267	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.6	168.8	-69.2	175.6	0	0	0	110.1	M198 L199 M250 P252	M198-L257 VanDerWaalsContact CA-O 3.31Å; M198-L257 WeakPolarHBondContact CA-O 3.44Å; M198-L257 HydrophobicContact CG-CB 4.22Å; M198-L257 VanDerWaalsContact CG-O 3.31Å; M198-L257 WeakPolarHBondContact CG-O 3.28Å; L199-L257 PolarHBondContact N-O 2.89Å; L199-L257 VanDerWaalsContact N-O 3.09Å; M250-L257 HydrophobicContact CE-CD1 4.02Å; M250-L257 HydrophobicContact SD-CD1 4.32Å; P252-L257 HydrophobicContact CB-CD2 4.26Å
258	I	94.3	Very high	93.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	158.3	174	75.3	167.7	0	0	0	111.4	I170 F171 L199 F201 M250 V251 V253 Y260	I170-I258 HydrophobicContact CD1-CD1 3.72Å; F171-I258 HydrophobicContact CE1-CD1 3.88Å; F171-I258 HydrophobicContact CZ-CD1 3.76Å; L199-I258 HydrophobicContact CB-CG2 4.19Å; L199-I258 CarbonylContact O-C 3.45Å; L199-I258 VanDerWaalsContact O-CA 3.32Å; L199-I258 WeakPolarHBondContact O-CA 3.22Å; F201-I258 HydrophobicContact CD2-CB 4.46Å; F201-I258 HydrophobicContact CE2-CB 4.13Å; F201-I258 HydrophobicContact CE2-CG2 4.11Å; M250-I258 PolarHBondContact N-O 3.21Å; V251-I258 HydrophobicContact CB-CG1 3.77Å; V251-I258 HydrophobicContact CG1-CD1 4.37Å; V251-I258 HydrophobicContact CG1-CG1 4.03Å; V251-I258 PolarHBondContact N-O 3.45Å; V251-I258 PolarHBondContact O-N 3.06Å; V253-I258 HydrophobicContact CG2-CD1 3.72Å; V253-I258 HydrophobicContact CG2-CG1 3.91Å; V253-I258 HydrophobicContact CG2-CG2 4.5Å; I258-Y260 HydrophobicContact CD1-CD1 4Å; I258-Y260 HydrophobicContact CG1-CD1 4.41Å
259	K	94.6	Very high	93.8	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.022	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.3	165.1	165.7	171.9	150.8	-157.3	0	108	M198 L199 D200 F201 C247 N248	M198-K259 HydrophobicContact CG-CB 4.33Å; M198-K259 HydrophobicContact SD-CB 3.61Å; L199-K259 PolarHBondContact O-N 2.93Å; D200-K259 CarbonylContact C-O 3.52Å; D200-K259 VanDerWaalsContact CA-O 3.3Å; D200-K259 WeakPolarHBondContact CA-O 3.31Å; D200-K259 WeakPolarHBondContact OD1-CD 3.36Å; D200-K259 WeakPolarHBondContact OD1-CE 3.25Å; D200-K259 WeakPolarHBondContact OD1-CG 3.36Å; D200-K259 IonicContact OD1-NZ 2.94Å; D200-K259 PolarHBondContact OD1-NZ 3.33Å; F201-K259 PolarHBondContact N-O 3.13Å; C247-K259 WeakPolarHBondContact SG-CE 3.48Å; N248-K259 CarbonylContact O-C 3.31Å; N248-K259 VanDerWaalsContact O-CA 3.28Å; N248-K259 WeakPolarHBondContact O-CA 3.47Å
260	Y	96.9	Very high	93.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.3	176.5	63.5	-88.9	0	0	0	110.4	F171 F201 I203 W211 N215 H222 N248 V251 I258 V262	F171-Y260 HydrophobicContact CD1-CG 4.5Å; F171-Y260 AromaticContact CE1-CD1 3.59Å; F171-Y260 HydrophobicContact CE1-CD1 3.59Å; F171-Y260 HydrophobicContact CE1-CD2 4.21Å; F171-Y260 HydrophobicContact CE1-CE1 4.02Å; F171-Y260 AromaticContact CE1-CG 3.69Å; F171-Y260 HydrophobicContact CE1-CG 3.69Å; F171-Y260 HydrophobicContact CZ-CD1 4.1Å; F171-Y260 HydrophobicContact CZ-CG 4.04Å; F201-Y260 CarbonylContact O-C 3.49Å; F201-Y260 WeakPolarHBondContact O-CA 3.44Å; I203-Y260 HydrophobicContact CD1-CD2 4.11Å; W211-Y260 HydrophobicContact CH2-CD2 4.19Å; W211-Y260 AromaticContact CH2-CE2 3.81Å; W211-Y260 HydrophobicContact CH2-CE2 3.81Å; W211-Y260 HydrophobicContact CZ3-CE2 4.38Å; N215-Y260 PolarHBondContact ND2-OH 2.85Å; H222-Y260 HydrophobicContact CB-CE1 4.39Å; H222-Y260 WeakPolarHBondContact CB-OH 3.29Å; H222-Y260 AromaticContact ND1-CE1 3.57Å; H222-Y260 AromaticContact ND1-CZ 3.66Å; H222-Y260 PolarHBondContact ND1-OH 2.99Å; N248-Y260 HydrophobicContact CB-CD1 4.09Å; N248-Y260 HydrophobicContact CB-CD2 4.26Å; N248-Y260 HydrophobicContact CB-CE1 3.58Å; N248-Y260 HydrophobicContact CB-CE2 3.77Å; N248-Y260 HydrophobicContact CB-CG 4.4Å; N248-Y260 PolarHBondContact N-O 2.95Å; N248-Y260 WeakPolarHBondContact ND2-CE2 3.44Å; N248-Y260 PolarHBondContact ND2-OH 3.45Å; N248-Y260 PolarHBondContact O-N 3.01Å; V251-Y260 HydrophobicContact CG2-CE1 4.01Å; I258-Y260 HydrophobicContact CD1-CD1 4Å; I258-Y260 HydrophobicContact CG1-CD1 4.41Å; Y260-V262 HydrophobicContact CD2-CG2 4.44Å
261	S	97.2	Very high	94.1	Very high	2 Å²	2	27 Å²	27	1%	0.014	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.2	-179.8	-56.7	0	0	0	0	110.3	F201 V202 I203 Y246	F201-S261 PolarHBondContact O-N 3.06Å; V202-S261 CarbonylContact C-O 3.39Å; V202-S261 WeakPolarHBondContact CA-O 3.49Å; I203-S261 PolarHBondContact N-O 3Å; Y246-S261 CarbonylContact O-C 3.54Å; Y246-S261 VanDerWaalsContact O-CA 3.27Å; Y246-S261 WeakPolarHBondContact O-CA 3.44Å
262	V	98	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.1	179.8	-173.4	0	0	0	0	108.7	I203 V205 W211 Q238 L245 Y246 Y260	I203-V262 WeakPolarHBondContact O-CA 3.47Å; V205-V262 HydrophobicContact CG1-CG1 4.19Å; V205-V262 HydrophobicContact CG2-CG1 3.56Å; W211-V262 HydrophobicContact CD2-CG1 4.42Å; W211-V262 HydrophobicContact CD2-CG2 4.5Å; W211-V262 HydrophobicContact CE3-CG1 4.06Å; W211-V262 HydrophobicContact CE3-CG2 3.74Å; W211-V262 HydrophobicContact CH2-CG2 3.62Å; W211-V262 HydrophobicContact CZ2-CG2 4.36Å; W211-V262 HydrophobicContact CZ3-CB 4.47Å; W211-V262 HydrophobicContact CZ3-CG1 4.45Å; W211-V262 HydrophobicContact CZ3-CG2 3.27Å; Q238-V262 PolarHBondContact NE2-O 3.22Å; Q238-V262 PolarHBondContact OE1-O 3.04Å; L245-V262 CarbonylContact C-O 3.47Å; L245-V262 WeakPolarHBondContact CA-O 3.4Å; Y246-V262 PolarHBondContact N-O 3.36Å; Y246-V262 PolarHBondContact O-N 3.04Å; Y260-V262 HydrophobicContact CD2-CG2 4.44Å
263	I	98.1	Very high	94.1	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145.2	176.8	-172.4	168.7	0	0	0	109.5	V202 I203 A204 V205 L245 D267 C268 V280	V202-I263 HydrophobicContact CG1-CG2 3.98Å; I203-I263 PolarHBondContact O-N 3.28Å; A204-I263 CarbonylContact C-O 3.53Å; A204-I263 WeakPolarHBondContact CA-O 3.13Å; A204-I263 HydrophobicContact CB-CG2 4.18Å; V205-I263 PolarHBondContact N-O 3.41Å; L245-I263 HydrophobicContact CD2-CB 4.28Å; L245-I263 HydrophobicContact CG-CB 4.14Å; L245-I263 HydrophobicContact CG-CD1 4.25Å; L245-I263 HydrophobicContact CG-CG1 4.48Å; I263-D267 HydrophobicContact CD1-CB 4.3Å; I263-D267 HydrophobicContact CG1-CB 4.09Å; I263-C268 HydrophobicContact CD1-CB 4.01Å; I263-C268 HydrophobicContact CG1-CB 4.25Å; I263-C268 HydrophobicContact CG2-CB 3.92Å; I263-V280 HydrophobicContact CD1-CG2 3.73Å
264	K	97.7	Very high	94	Very high	72 Å²	72	23.4 Å²	23.4	31%	0.313	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.8	172.7	-170.1	177	175.6	-178.9	0	109.5	V205 P208 S266 D267 C268	V205-K264 CarbonylContact O-C 3.47Å; V205-K264 VanDerWaalsContact O-CA 3.23Å; V205-K264 WeakPolarHBondContact O-CA 3.39Å; P208-K264 HydrophobicContact CG-CB 3.73Å; P208-K264 HydrophobicContact CG-CD 4.49Å; P208-K264 HydrophobicContact CG-CG 3.98Å; K264-S266 VanDerWaalsContact C-N 3.25Å; K264-S266 WeakPolarHBondContact CD-OG 3.32Å; K264-S266 WeakPolarHBondContact CE-OG 3.33Å; K264-S266 PolarHBondContact O-N 3.46Å; K264-D267 HydrophobicContact CB-CB 4.25Å; K264-D267 WeakPolarHBondContact CB-OD2 3.26Å; K264-D267 PolarHBondContact O-N 2.85Å; K264-C268 PolarHBondContact O-N 3.44Å
265	T	96.6	Very high	94.3	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.043	12%	0.117	C	C	.	.	H	α-helix	trans	-52.8	-43.4	-179	-57.2	0	0	0	0	112.2	S177 V205 D206 D267 C268 I269 L299	S177-T265 WeakPolarHBondContact CB-OG1 3.24Å; S177-T265 WeakPolarHBondContact OG-CG2 3.35Å; S177-T265 PolarHBondContact OG-OG1 3.12Å; V205-T265 PolarHBondContact O-N 2.78Å; V205-T265 PolarHBondContact O-OG1 3.03Å; D206-T265 PolarHBondContact N-OG1 2.87Å; D206-T265 WeakPolarHBondContact OD1-CB 3.36Å; D206-T265 PolarHBondContact OD1-OG1 2.97Å; T265-D267 PolarHBondContact O-N 2.97Å; T265-C268 WeakPolarHBondContact O-CB 3.08Å; T265-C268 PolarHBondContact O-N 2.96Å; T265-I269 HydrophobicContact CG2-CD1 4.02Å; T265-I269 VanDerWaalsContact O-CG1 3.3Å; T265-I269 WeakPolarHBondContact O-CG1 3.5Å; T265-I269 PolarHBondContact O-N 3.31Å; T265-L299 HydrophobicContact CG2-CD2 4.4Å
266	S	93.1	Very high	94.6	Very high	21 Å²	21	19.1 Å²	19.1	15%	0.147	9%	0.093	C	C	.	.	H	α-helix	trans	-62.7	-40.1	178.4	61.1	0	0	0	0	112.9	K264 I269 S270	K264-S266 VanDerWaalsContact C-N 3.25Å; K264-S266 WeakPolarHBondContact CD-OG 3.32Å; K264-S266 WeakPolarHBondContact CE-OG 3.33Å; K264-S266 PolarHBondContact O-N 3.46Å; S266-I269 PolarHBondContact O-N 3.11Å; S266-S270 PolarHBondContact O-N 3.07Å; S266-S270 PolarHBondContact O-OG 3.08Å
267	D	95.6	Very high	94.8	Very high	22 Å²	22	15.9 Å²	15.9	12%	0.118	8%	0.082	C	C	.	.	H	α-helix	trans	-71.7	-35.5	178.3	-66.9	-45.4	0	0	0	111.6	K244 I263 K264 T265 I269 S270 D271	K244-D267 HydrophobicContact CB-CB 4.31Å; K244-D267 HydrophobicContact CD-CB 3.79Å; K244-D267 WeakPolarHBondContact CD-OD1 2.9Å; K244-D267 IonicContact NZ-OD1 3.11Å; K244-D267 PolarHBondContact NZ-OD1 2.71Å; I263-D267 HydrophobicContact CD1-CB 4.3Å; I263-D267 HydrophobicContact CG1-CB 4.09Å; K264-D267 HydrophobicContact CB-CB 4.25Å; K264-D267 WeakPolarHBondContact CB-OD2 3.26Å; K264-D267 PolarHBondContact O-N 2.85Å; T265-D267 PolarHBondContact O-N 2.97Å; D267-I269 VanDerWaalsContact C-N 3.32Å; D267-S270 PolarHBondContact O-N 3.01Å; D267-D271 PolarHBondContact O-N 3.25Å
268	C	97	Very high	95.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.8	-43.6	171.7	-175.1	0	0	0	0	111.2	A204 I263 K264 T265 D271 L272	A204-C268 HydrophobicContact CB-CB 4.38Å; I263-C268 HydrophobicContact CD1-CB 4.01Å; I263-C268 HydrophobicContact CG1-CB 4.25Å; I263-C268 HydrophobicContact CG2-CB 3.92Å; K264-C268 PolarHBondContact O-N 3.44Å; T265-C268 WeakPolarHBondContact O-CB 3.08Å; T265-C268 PolarHBondContact O-N 2.96Å; C268-D271 PolarHBondContact O-N 3.32Å; C268-L272 WeakPolarHBondContact O-CB 3.45Å; C268-L272 WeakPolarHBondContact O-CD1 3.46Å; C268-L272 VanDerWaalsContact O-CG 3.24Å; C268-L272 WeakPolarHBondContact O-CG 3.4Å; C268-L272 PolarHBondContact O-N 2.76Å
269	I	93.4	Very high	95.1	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.015	7%	0.071	C	C	.	.	H	α-helix	trans	-61.2	-54.5	175.4	-69.8	169.9	0	0	0	109.3	T265 S266 D267 D271 L272 Q273 K298 L299 A302	T265-I269 HydrophobicContact CG2-CD1 4.02Å; T265-I269 VanDerWaalsContact O-CG1 3.3Å; T265-I269 WeakPolarHBondContact O-CG1 3.5Å; T265-I269 PolarHBondContact O-N 3.31Å; S266-I269 PolarHBondContact O-N 3.11Å; D267-I269 VanDerWaalsContact C-N 3.32Å; I269-D271 VanDerWaalsContact C-N 3.26Å; I269-D271 PolarHBondContact O-N 2.85Å; I269-L272 PolarHBondContact O-N 3.01Å; I269-Q273 HydrophobicContact CG2-CG 3.81Å; I269-Q273 VanDerWaalsContact CG2-NE2 3.33Å; I269-Q273 WeakPolarHBondContact O-CB 3.29Å; I269-Q273 WeakPolarHBondContact O-CG 3.31Å; I269-Q273 PolarHBondContact O-N 3.37Å; I269-K298 HydrophobicContact CD1-CB 4.19Å; I269-L299 HydrophobicContact CD1-CB 4.37Å; I269-L299 HydrophobicContact CD1-CD1 4.36Å; I269-L299 HydrophobicContact CG1-CB 4.43Å; I269-L299 HydrophobicContact CG1-CD1 3.62Å; I269-A302 HydrophobicContact CB-CB 4.45Å; I269-A302 HydrophobicContact CG1-CB 4.27Å; I269-A302 HydrophobicContact CG2-CB 4.09Å
270	S	91.9	Very high	95.2	Very high	22 Å²	22	13.7 Å²	13.7	15%	0.154	7%	0.07	C	C	.	.	H	α-helix	trans	-55	-39.1	178.7	-62.8	0	0	0	0	113.2	S266 D267 D274	S266-S270 PolarHBondContact O-N 3.07Å; S266-S270 PolarHBondContact O-OG 3.08Å; D267-S270 PolarHBondContact O-N 3.01Å; S270-D274 WeakPolarHBondContact O-CB 3.5Å; S270-D274 PolarHBondContact O-N 3.35Å
271	D	96.1	Very high	95.2	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.016	7%	0.07	C	C	.	.	H	α-helix	trans	-67.2	-42.8	176.3	-165.1	53.4	0	0	0	112.8	D267 C268 I269 W275 S277 M278 Y279 V280 S281	D267-D271 PolarHBondContact O-N 3.25Å; C268-D271 PolarHBondContact O-N 3.32Å; I269-D271 VanDerWaalsContact C-N 3.26Å; I269-D271 PolarHBondContact O-N 2.85Å; D271-W275 VanDerWaalsContact O-CA 3.26Å; D271-W275 WeakPolarHBondContact O-CA 3.44Å; D271-W275 PolarHBondContact O-N 3.49Å; D271-W275 VanDerWaalsContact O-N 3.13Å; D271-S277 VanDerWaalsContact OD1-CA 3.31Å; D271-S277 WeakPolarHBondContact OD1-CA 3.43Å; D271-S277 WeakPolarHBondContact OD1-CB 3.37Å; D271-S277 PolarHBondContact OD1-N 3Å; D271-S277 PolarHBondContact OD1-OG 3Å; D271-S277 PolarHBondContact OD2-OG 3Å; D271-M278 PolarHBondContact OD1-N 3.09Å; D271-Y279 PolarHBondContact OD2-N 3.31Å; D271-V280 WeakPolarHBondContact OD2-CA 3.47Å; D271-V280 WeakPolarHBondContact OD2-CB 3.45Å; D271-V280 PolarHBondContact OD2-N 3.49Å; D271-S281 WeakPolarHBondContact O-CB 3.39Å; D271-S281 PolarHBondContact OD2-N 3.07Å
272	L	95.5	Very high	95.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.8	-38.9	177.5	-73.8	167.7	0	0	0	112.6	C268 I269 M284 L299 A302 N306	C268-L272 WeakPolarHBondContact O-CB 3.45Å; C268-L272 WeakPolarHBondContact O-CD1 3.46Å; C268-L272 VanDerWaalsContact O-CG 3.24Å; C268-L272 WeakPolarHBondContact O-CG 3.4Å; C268-L272 PolarHBondContact O-N 2.76Å; I269-L272 PolarHBondContact O-N 3.01Å; L272-M284 HydrophobicContact CD1-SD 4.29Å; L272-M284 HydrophobicContact CD2-CB 4.11Å; L272-M284 HydrophobicContact CD2-CE 4.37Å; L272-M284 HydrophobicContact CD2-CG 4.42Å; L272-M284 HydrophobicContact CD2-SD 3.71Å; L272-L299 HydrophobicContact CD1-CD1 4.1Å; L272-A302 HydrophobicContact CB-CB 3.93Å; L272-A302 HydrophobicContact CD1-CB 4.05Å; L272-N306 HydrophobicContact CB-CB 4.22Å; L272-N306 HydrophobicContact CD2-CB 3.76Å; L272-N306 WeakPolarHBondContact O-CB 3.4Å
273	Q	90.1	Very high	95	Very high	11 Å²	11	14.9 Å²	14.9	5%	0.051	8%	0.075	C	C	.	.	H	α-helix	trans	-86.3	-46	-172.7	-61.3	-167.3	-22.8	0	0	112.7	R114 I269 A302	R114-Q273 VanDerWaalsContact CZ-CG 3.48Å; I269-Q273 HydrophobicContact CG2-CG 3.81Å; I269-Q273 VanDerWaalsContact CG2-NE2 3.33Å; I269-Q273 WeakPolarHBondContact O-CB 3.29Å; I269-Q273 WeakPolarHBondContact O-CG 3.31Å; I269-Q273 PolarHBondContact O-N 3.37Å; Q273-A302 HydrophobicContact CG-CB 3.56Å
274	D	90.8	Very high	94.9	Very high	22 Å²	22	15.2 Å²	15.2	12%	0.118	8%	0.077	C	C	.	.	H	α-helix	trans	-111.9	-3.4	-168.9	-62.6	-26.7	0	0	0	113	S270 E276 K404 N405	S270-D274 WeakPolarHBondContact O-CB 3.5Å; S270-D274 PolarHBondContact O-N 3.35Å; D274-E276 PolarHBondContact O-N 3.48Å; D274-K404 HydrophobicContact CB-CB 4.34Å; D274-K404 IonicContact OD2-NZ 2.87Å; D274-K404 PolarHBondContact OD2-NZ 3.3Å; D274-N405 VanDerWaalsContact O-CB 3.25Å; D274-N405 WeakPolarHBondContact O-CB 3.37Å; D274-N405 PolarHBondContact O-N 3.29Å; D274-N405 PolarHBondContact O-ND2 2.97Å
275	W	95.6	Very high	94.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.			trans	53.7	49.3	-173.4	-72.1	9	0	0	0	112.5	D271 S277 M278 H285 N306 A310 A313 L334 P403 V406 I445 I448	D271-W275 VanDerWaalsContact O-CA 3.26Å; D271-W275 WeakPolarHBondContact O-CA 3.44Å; D271-W275 PolarHBondContact O-N 3.49Å; D271-W275 VanDerWaalsContact O-N 3.13Å; W275-S277 PolarHBondContact O-N 3.12Å; W275-M278 HydrophobicContact CB-CG 3.58Å; W275-M278 HydrophobicContact CB-SD 4.28Å; W275-M278 HydrophobicContact CD2-CE 3.82Å; W275-M278 HydrophobicContact CD2-CG 3.87Å; W275-M278 HydrophobicContact CD2-SD 3.85Å; W275-M278 HydrophobicContact CE3-CE 3.57Å; W275-M278 HydrophobicContact CE3-CG 4.15Å; W275-M278 HydrophobicContact CE3-SD 3.5Å; W275-M278 HydrophobicContact CG-CG 3.65Å; W275-M278 HydrophobicContact CG-SD 4.22Å; W275-M278 HydrophobicContact CH2-CE 4.15Å; W275-M278 HydrophobicContact CZ2-CE 4.36Å; W275-M278 HydrophobicContact CZ3-CE 3.76Å; W275-M278 HydrophobicContact CZ3-SD 4.18Å; W275-H285 AromaticContact CE2-CE1 3.92Å; W275-H285 AromaticContact CE2-NE2 3.78Å; W275-H285 AromaticContact CZ2-CE1 3.58Å; W275-H285 AromaticContact CZ2-NE2 3.57Å; W275-H285 AromaticContact NE1-NE2 3.7Å; W275-N306 PolarHBondContact NE1-OD1 3.02Å; W275-A310 HydrophobicContact CZ2-CB 4.32Å; W275-A313 HydrophobicContact CH2-CB 3.56Å; W275-A313 HydrophobicContact CZ3-CB 3.96Å; W275-L334 HydrophobicContact CH2-CD1 3.97Å; W275-P403 HydrophobicContact CB-CB 3.95Å; W275-P403 HydrophobicContact CB-CG 4.41Å; W275-P403 HydrophobicContact CD2-CB 4.02Å; W275-P403 HydrophobicContact CD2-CG 3.52Å; W275-P403 HydrophobicContact CE3-CB 4.3Å; W275-P403 HydrophobicContact CE3-CG 3.8Å; W275-P403 HydrophobicContact CG-CB 3.86Å; W275-P403 HydrophobicContact CG-CG 3.8Å; W275-P403 HydrophobicContact CH2-CG 4.35Å; W275-P403 HydrophobicContact CZ2-CG 4.13Å; W275-P403 HydrophobicContact CZ3-CG 4.2Å; W275-V406 HydrophobicContact CE3-CG2 3.59Å; W275-V406 HydrophobicContact CZ3-CG2 4.07Å; W275-I445 HydrophobicContact CZ3-CD1 3.97Å; W275-I445 HydrophobicContact CZ3-CG1 4.16Å; W275-I448 VanDerWaalsContact O-CG2 3.28Å; W275-I448 WeakPolarHBondContact O-CG2 3.46Å
276	E	92.5	Very high	94.7	Very high	86 Å²	86	12.2 Å²	12.2	40%	0.402	6%	0.063	S	C	.	.	S	Bend	trans	-55.6	-36.7	177.1	-169.9	-177.8	174.3	0	0	112.4	K244 D274 N405	K244-E276 VanDerWaalsContact CE-OE1 3.22Å; K244-E276 WeakPolarHBondContact CE-OE1 3.48Å; K244-E276 VanDerWaalsContact NZ-CD 3.26Å; K244-E276 IonicContact NZ-OE1 2.68Å; K244-E276 PolarHBondContact NZ-OE1 3.3Å; K244-E276 IonicContact NZ-OE2 3.06Å; K244-E276 PolarHBondContact NZ-OE2 3.46Å; D274-E276 PolarHBondContact O-N 3.48Å; E276-N405 VanDerWaalsContact CA-ND2 3.33Å; E276-N405 WeakPolarHBondContact CA-ND2 3.49Å; E276-N405 PolarHBondContact N-ND2 3.26Å
277	S	95.1	Very high	94.7	Very high	5 Å²	5	11.4 Å²	11.4	4%	0.035	6%	0.057	C	C	.	.	S	Bend	trans	-137.1	-20.5	-177.6	78.2	0	0	0	0	114.2	D271 W275 Y279 A452	D271-S277 VanDerWaalsContact OD1-CA 3.31Å; D271-S277 WeakPolarHBondContact OD1-CA 3.43Å; D271-S277 WeakPolarHBondContact OD1-CB 3.37Å; D271-S277 PolarHBondContact OD1-N 3Å; D271-S277 PolarHBondContact OD1-OG 3Å; D271-S277 PolarHBondContact OD2-OG 3Å; W275-S277 PolarHBondContact O-N 3.12Å; S277-Y279 PolarHBondContact O-N 3.29Å; S277-Y279 VanDerWaalsContact O-N 3.16Å; S277-Y279 WeakPolarHBondContact OG-CB 3.4Å; S277-Y279 PolarHBondContact OG-N 3.12Å; S277-Y279 VanDerWaalsContact OG-N 3.16Å; S277-A452 WeakPolarHBondContact O-CB 3.44Å
278	M	96.3	Very high	94.6	Very high	5 Å²	5	10.6 Å²	10.6	3%	0.025	5%	0.053	C	C	.	.	S	Bend	trans	56.7	18.1	-169.4	-62.1	178.9	72.1	0	0	114.9	D271 W275 S281 G282 L334 I445 I448 V449	D271-M278 PolarHBondContact OD1-N 3.09Å; W275-M278 HydrophobicContact CB-CG 3.58Å; W275-M278 HydrophobicContact CB-SD 4.28Å; W275-M278 HydrophobicContact CD2-CE 3.82Å; W275-M278 HydrophobicContact CD2-CG 3.87Å; W275-M278 HydrophobicContact CD2-SD 3.85Å; W275-M278 HydrophobicContact CE3-CE 3.57Å; W275-M278 HydrophobicContact CE3-CG 4.15Å; W275-M278 HydrophobicContact CE3-SD 3.5Å; W275-M278 HydrophobicContact CG-CG 3.65Å; W275-M278 HydrophobicContact CG-SD 4.22Å; W275-M278 HydrophobicContact CH2-CE 4.15Å; W275-M278 HydrophobicContact CZ2-CE 4.36Å; W275-M278 HydrophobicContact CZ3-CE 3.76Å; W275-M278 HydrophobicContact CZ3-SD 4.18Å; M278-S281 VanDerWaalsContact CA-OG 3.31Å; M278-S281 WeakPolarHBondContact CA-OG 3.46Å; M278-G282 WeakPolarHBondContact O-CA 3.16Å; M278-G282 PolarHBondContact O-N 3.28Å; M278-G282 VanDerWaalsContact O-N 3.12Å; M278-L334 HydrophobicContact CE-CB 4.07Å; M278-I445 HydrophobicContact CE-CG2 3.9Å; M278-I445 HydrophobicContact SD-CG2 3.84Å; M278-I448 HydrophobicContact CB-CG2 4.38Å; M278-I448 HydrophobicContact CG-CG2 3.88Å; M278-I448 HydrophobicContact SD-CB 4.43Å; M278-I448 HydrophobicContact SD-CG2 4.16Å; M278-V449 HydrophobicContact CB-CG2 3.95Å; M278-V449 HydrophobicContact CE-CG2 4.31Å; M278-V449 HydrophobicContact CG-CG2 4.46Å; M278-V449 HydrophobicContact SD-CG2 3.79Å
279	Y	95.1	Very high	94.3	Very high	5 Å²	5	11.6 Å²	11.6	2%	0.02	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-46.7	-175.9	-157.8	-86.4	0	0	0	111.7	A243 L245 D271 S277 R283 Q456	A243-Y279 HydrophobicContact CB-CD1 4.3Å; A243-Y279 HydrophobicContact CB-CD2 4.01Å; A243-Y279 HydrophobicContact CB-CG 3.69Å; L245-Y279 HydrophobicContact CD1-CD1 3.32Å; L245-Y279 HydrophobicContact CD1-CE1 3.89Å; L245-Y279 HydrophobicContact CD1-CG 3.99Å; L245-Y279 HydrophobicContact CD2-CD1 4.43Å; D271-Y279 PolarHBondContact OD2-N 3.31Å; S277-Y279 PolarHBondContact O-N 3.29Å; S277-Y279 VanDerWaalsContact O-N 3.16Å; S277-Y279 WeakPolarHBondContact OG-CB 3.4Å; S277-Y279 PolarHBondContact OG-N 3.12Å; S277-Y279 VanDerWaalsContact OG-N 3.16Å; Y279-R283 VanDerWaalsContact CD1-NH1 3.33Å; Y279-R283 VanDerWaalsContact O-CD 3.26Å; Y279-R283 WeakPolarHBondContact O-CD 3.37Å; Y279-R283 WeakPolarHBondContact O-CG 3.37Å; Y279-R283 PolarHBondContact O-NH1 3.24Å; Y279-R283 PolarHBondContact OH-NH2 2.89Å; Y279-Q456 HydrophobicContact CD2-CB 4.22Å; Y279-Q456 HydrophobicContact CD2-CG 4.25Å; Y279-Q456 HydrophobicContact CE1-CG 3.98Å; Y279-Q456 HydrophobicContact CE2-CB 3.74Å; Y279-Q456 HydrophobicContact CE2-CG 3.59Å; Y279-Q456 VanDerWaalsContact CZ-CG 3.41Å
280	V	96.9	Very high	94.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-46.3	172.1	177.1	0	0	0	0	109.5	F180 V202 L245 I263 D271 G282 R283 M284	F180-V280 HydrophobicContact CE1-CG1 4.24Å; F180-V280 HydrophobicContact CZ-CG1 4.11Å; V202-V280 HydrophobicContact CG1-CG2 4.35Å; L245-V280 HydrophobicContact CD1-CG2 4.3Å; L245-V280 HydrophobicContact CD2-CG2 3.89Å; L245-V280 HydrophobicContact CG-CG2 4.42Å; I263-V280 HydrophobicContact CD1-CG2 3.73Å; D271-V280 WeakPolarHBondContact OD2-CA 3.47Å; D271-V280 WeakPolarHBondContact OD2-CB 3.45Å; D271-V280 PolarHBondContact OD2-N 3.49Å; V280-G282 VanDerWaalsContact C-N 3.32Å; V280-G282 PolarHBondContact O-N 3.17Å; V280-R283 WeakPolarHBondContact O-CB 3.1Å; V280-R283 PolarHBondContact O-N 2.8Å; V280-M284 HydrophobicContact CG1-CG 4.38Å; V280-M284 HydrophobicContact CG1-SD 3.91Å; V280-M284 PolarHBondContact O-N 3.33Å
281	S	97.1	Very high	94.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.3	-44.6	-176.4	88.8	0	0	0	0	112	D271 M278 R283 M284 H285 N306	D271-S281 WeakPolarHBondContact O-CB 3.39Å; D271-S281 PolarHBondContact OD2-N 3.07Å; M278-S281 VanDerWaalsContact CA-OG 3.31Å; M278-S281 WeakPolarHBondContact CA-OG 3.46Å; S281-R283 VanDerWaalsContact C-N 3.28Å; S281-R283 PolarHBondContact O-N 3.02Å; S281-M284 CarbonylContact O-C 3.52Å; S281-M284 WeakPolarHBondContact O-CA 3.45Å; S281-M284 PolarHBondContact O-N 3.05Å; S281-H285 PolarHBondContact O-CD2 3.25Å; S281-H285 PolarHBondContact O-N 3.38Å; S281-H285 PolarHBondContact O-NE2 2.64Å; S281-N306 VanDerWaalsContact CB-OD1 3.25Å; S281-N306 WeakPolarHBondContact CB-OD1 3.23Å; S281-N306 PolarHBondContact O-ND2 3.01Å
282	G	96	Very high	94.2	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-61.8	-29.2	175.6	0	0	0	0	0	114.7	M278 V280 K286 S335	M278-G282 WeakPolarHBondContact O-CA 3.16Å; M278-G282 PolarHBondContact O-N 3.28Å; M278-G282 VanDerWaalsContact O-N 3.12Å; V280-G282 VanDerWaalsContact C-N 3.32Å; V280-G282 PolarHBondContact O-N 3.17Å; G282-K286 PolarHBondContact O-NZ 2.87Å; G282-S335 VanDerWaalsContact CA-CB 3.5Å
283	R	94.8	Very high	94.1	Very high	27 Å²	27	16.1 Å²	16.1	10%	0.102	8%	0.083	C	C	.	.	H	α-helix	trans	-74.7	-36.4	173.1	-71.1	163.6	168.6	67.8	-1	111.3	Y182 Y279 V280 S281 H285 K286	Y182-R283 HydrophobicContact CD2-CB 4.25Å; Y182-R283 HydrophobicContact CD2-CG 3.96Å; Y182-R283 HydrophobicContact CE2-CB 4.47Å; Y182-R283 HydrophobicContact CE2-CG 3.76Å; Y182-R283 VanDerWaalsContact CZ-CD 3.47Å; Y182-R283 PolarHBondContact OH-NE 2.81Å; Y279-R283 VanDerWaalsContact CD1-NH1 3.33Å; Y279-R283 VanDerWaalsContact O-CD 3.26Å; Y279-R283 WeakPolarHBondContact O-CD 3.37Å; Y279-R283 WeakPolarHBondContact O-CG 3.37Å; Y279-R283 PolarHBondContact O-NH1 3.24Å; Y279-R283 PolarHBondContact OH-NH2 2.89Å; V280-R283 WeakPolarHBondContact O-CB 3.1Å; V280-R283 PolarHBondContact O-N 2.8Å; S281-R283 VanDerWaalsContact C-N 3.28Å; S281-R283 PolarHBondContact O-N 3.02Å; R283-H285 VanDerWaalsContact C-N 3.31Å; R283-K286 PolarHBondContact O-N 3.17Å
284	M	96.2	Very high	94.2	Very high	8 Å²	8	15.7 Å²	15.7	4%	0.039	8%	0.081	C	C	.	.	H	α-helix	trans	-83.5	0.2	179.4	-64.4	-173	65.9	0	0	114	M178 F180 L272 V280 S281 K286 F290 C303 L307	M178-M284 HydrophobicContact CE-CE 4.43Å; M178-M284 HydrophobicContact CE-SD 4.09Å; M178-M284 HydrophobicContact SD-CE 4.14Å; F180-M284 HydrophobicContact CD1-SD 4.12Å; F180-M284 HydrophobicContact CE1-CE 4.47Å; F180-M284 HydrophobicContact CE1-CG 3.9Å; F180-M284 HydrophobicContact CE1-SD 3.45Å; F180-M284 WeakPolarHBondContact CE1-SD 3.44Å; F180-M284 HydrophobicContact CE2-CG 4.08Å; F180-M284 HydrophobicContact CZ-CG 3.58Å; F180-M284 HydrophobicContact CZ-SD 3.77Å; L272-M284 HydrophobicContact CD1-SD 4.29Å; L272-M284 HydrophobicContact CD2-CB 4.11Å; L272-M284 HydrophobicContact CD2-CE 4.37Å; L272-M284 HydrophobicContact CD2-CG 4.42Å; L272-M284 HydrophobicContact CD2-SD 3.71Å; V280-M284 HydrophobicContact CG1-CG 4.38Å; V280-M284 HydrophobicContact CG1-SD 3.91Å; V280-M284 PolarHBondContact O-N 3.33Å; S281-M284 CarbonylContact O-C 3.52Å; S281-M284 WeakPolarHBondContact O-CA 3.45Å; S281-M284 PolarHBondContact O-N 3.05Å; M284-K286 PolarHBondContact O-N 3.07Å; M284-F290 HydrophobicContact CE-CE1 4.28Å; M284-F290 HydrophobicContact CE-CZ 3.9Å; M284-C303 HydrophobicContact CE-CB 4.29Å; M284-C303 WeakPolarHBondContact CE-SG 3.46Å; M284-L307 WeakPolarHBondContact O-CD2 3.34Å
285	H	96.4	Very high	94.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.1	161.2	-61.5	166.5	0	0	0	112.6	W275 S281 R283 N306 A310 I331 Y366	W275-H285 AromaticContact CE2-CE1 3.92Å; W275-H285 AromaticContact CE2-NE2 3.78Å; W275-H285 AromaticContact CZ2-CE1 3.58Å; W275-H285 AromaticContact CZ2-NE2 3.57Å; W275-H285 AromaticContact NE1-NE2 3.7Å; S281-H285 PolarHBondContact O-CD2 3.25Å; S281-H285 PolarHBondContact O-N 3.38Å; S281-H285 PolarHBondContact O-NE2 2.64Å; R283-H285 VanDerWaalsContact C-N 3.31Å; H285-N306 PolarHBondContact CD2-ND2 3.25Å; H285-N306 PolarHBondContact CD2-OD1 3.45Å; H285-N306 VanDerWaalsContact CD2-OD1 3.31Å; H285-N306 PolarHBondContact NE2-OD1 2.97Å; H285-A310 HydrophobicContact CB-CB 4.36Å; H285-A310 VanDerWaalsContact CD2-CB 3.41Å; H285-A310 WeakPolarHBondContact CD2-CB 3.43Å; H285-I331 HydrophobicContact CB-CG2 3.93Å; H285-Y366 WeakPolarHBondContact O-CE2 3.47Å; H285-Y366 PolarHBondContact O-OH 3.34Å
286	K	94.3	Very high	93.7	Very high	15 Å²	15	22.7 Å²	22.7	7%	0.065	12%	0.117	C	C	.	.	S	Bend	trans	-108.8	157.1	179.5	-66.3	171.7	-83.7	-68.8	0	109	G282 R283 M284 V288 S335 I354 F362	G282-K286 PolarHBondContact O-NZ 2.87Å; R283-K286 PolarHBondContact O-N 3.17Å; M284-K286 PolarHBondContact O-N 3.07Å; K286-V288 PolarHBondContact O-N 3.15Å; K286-S335 PolarHBondContact NZ-OG 3.15Å; K286-I354 HydrophobicContact CD-CG2 4.38Å; K286-F362 HydrophobicContact CB-CE1 4.37Å; K286-F362 HydrophobicContact CB-CZ 4.15Å; K286-F362 HydrophobicContact CG-CE1 4.06Å; K286-F362 HydrophobicContact CG-CZ 3.85Å
287	P	92.8	Very high	93	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.032	12%	0.123	C	C	.	.			trans	-52.5	133	171.6	-26.7	35	0	0	0	111.3	I187 F362 L365	I187-P287 WeakPolarHBondContact CD1-O 3.35Å; P287-F362 HydrophobicContact CG-CD1 4.45Å; P287-F362 HydrophobicContact CG-CD2 4.03Å; P287-F362 HydrophobicContact CG-CE2 4.19Å; P287-F362 HydrophobicContact CG-CG 4.17Å; P287-F362 HydrophobicContact CG-CZ 4.49Å; P287-L365 HydrophobicContact CG-CD2 4.18Å
288	V	93.3	Very high	92.4	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.024	13%	0.131	C	C	.	.			trans	-126.8	163	175.3	-62.5	0	0	0	0	109.5	F180 K286 F290	F180-V288 HydrophobicContact CB-CB 4.27Å; F180-V288 HydrophobicContact CB-CG2 4.12Å; F180-V288 HydrophobicContact CD2-CB 3.85Å; F180-V288 HydrophobicContact CD2-CG1 3.76Å; F180-V288 HydrophobicContact CD2-CG2 4.21Å; F180-V288 HydrophobicContact CE2-CG1 4.02Å; F180-V288 HydrophobicContact CG-CB 4.34Å; F180-V288 HydrophobicContact CG-CG2 4.27Å; K286-V288 PolarHBondContact O-N 3.15Å; V288-F290 HydrophobicContact CG2-CD2 4.28Å; V288-F290 HydrophobicContact CG2-CE1 4.4Å; V288-F290 HydrophobicContact CG2-CE2 3.65Å; V288-F290 HydrophobicContact CG2-CZ 3.73Å
289	R	89.7	Confident	92	Very high	22 Å²	22	23.9 Å²	23.9	8%	0.083	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119	171.7	-67.8	-167.4	-175	164.7	-8.5	109.8	E161 F180 A181 V186 I291	E161-R289 IonicContact OE1-CZ 2.76Å; E161-R289 VanDerWaalsContact OE1-CZ 3.31Å; E161-R289 IonicContact OE1-NH1 3.02Å; E161-R289 PolarHBondContact OE1-NH1 2.86Å; E161-R289 IonicContact OE1-NH2 2.97Å; E161-R289 PolarHBondContact OE1-NH2 3.32Å; E161-R289 IonicContact OE2-NH1 2.88Å; E161-R289 PolarHBondContact OE2-NH1 3.42Å; F180-R289 CarbonylContact C-O 3.58Å; F180-R289 WeakPolarHBondContact CA-O 3.5Å; F180-R289 WeakPolarHBondContact CB-O 3.3Å; A181-R289 PolarHBondContact N-O 2.7Å; A181-R289 PolarHBondContact O-N 3.37Å; V186-R289 HydrophobicContact CG1-CB 3.91Å; V186-R289 HydrophobicContact CG1-CG 3.55Å; R289-I291 WeakPolarHBondContact O-CD1 3.49Å
290	F	92.5	Very high	91.6	Very high	17 Å²	17	27.3 Å²	27.3	8%	0.075	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.5	174.4	-70.1	-79.8	0	0	0	111.1	P154 M178 F180 M284 V288 P294	P154-F290 HydrophobicContact CB-CE2 3.77Å; P154-F290 HydrophobicContact CG-CE2 3.65Å; P154-F290 HydrophobicContact CG-CZ 4.07Å; P154-F290 VanDerWaalsContact O-CD2 3.29Å; P154-F290 WeakPolarHBondContact O-CD2 3.46Å; P154-F290 WeakPolarHBondContact O-CE2 3.45Å; M178-F290 HydrophobicContact CG-CD1 4.03Å; M178-F290 HydrophobicContact CG-CE1 3.8Å; M178-F290 HydrophobicContact SD-CD1 4.45Å; M178-F290 HydrophobicContact SD-CE1 3.63Å; F180-F290 HydrophobicContact CB-CD1 3.77Å; F180-F290 HydrophobicContact CB-CE1 3.88Å; F180-F290 HydrophobicContact CB-CG 4.4Å; F180-F290 HydrophobicContact CD1-CE1 4.33Å; F180-F290 HydrophobicContact CG-CE1 4.44Å; M284-F290 HydrophobicContact CE-CE1 4.28Å; M284-F290 HydrophobicContact CE-CZ 3.9Å; V288-F290 HydrophobicContact CG2-CD2 4.28Å; V288-F290 HydrophobicContact CG2-CE1 4.4Å; V288-F290 HydrophobicContact CG2-CE2 3.65Å; V288-F290 HydrophobicContact CG2-CZ 3.73Å; F290-P294 HydrophobicContact CE1-CG 4.2Å
291	I	93.4	Very high	91	Very high	29 Å²	29	28.9 Å²	28.9	15%	0.149	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-35.5	166	-65.7	75.8	0	0	0	108.6	I164 A168 I179 A181 F201 R289	I164-I291 HydrophobicContact CG2-CD1 4.1Å; I164-I291 HydrophobicContact CG2-CG1 4.37Å; A168-I291 HydrophobicContact CB-CB 4.49Å; A168-I291 HydrophobicContact CB-CG1 4.02Å; A168-I291 HydrophobicContact CB-CG2 3.88Å; I179-I291 HydrophobicContact CB-CB 4.12Å; I179-I291 HydrophobicContact CG2-CB 3.97Å; I179-I291 HydrophobicContact CG2-CD1 4.36Å; I179-I291 HydrophobicContact CG2-CG1 4.47Å; I179-I291 PolarHBondContact O-N 3.13Å; A181-I291 HydrophobicContact CB-CD1 3.71Å; F201-I291 HydrophobicContact CD1-CD1 4.09Å; F201-I291 HydrophobicContact CE1-CD1 3.88Å; F201-I291 HydrophobicContact CE1-CG1 4.35Å; R289-I291 WeakPolarHBondContact O-CD1 3.49Å
292	V	93.8	Very high	90.6	Very high	24 Å²	24	28.9 Å²	28.9	15%	0.145	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	111.6	167.7	-179.1	0	0	0	0	106.2	V176 M178 I179 Q295	V176-V292 HydrophobicContact CG1-CB 4.47Å; V176-V292 HydrophobicContact CG1-CG1 4.4Å; V176-V292 HydrophobicContact CG1-CG2 4.38Å; M178-V292 WeakPolarHBondContact CA-O 3.24Å; I179-V292 HydrophobicContact CB-CB 4.08Å; I179-V292 HydrophobicContact CB-CG2 4.14Å; I179-V292 HydrophobicContact CD1-CG2 4.04Å; I179-V292 HydrophobicContact CG1-CB 4.09Å; I179-V292 HydrophobicContact CG1-CG2 3.91Å; I179-V292 PolarHBondContact N-O 2.81Å; I179-V292 PolarHBondContact O-N 2.84Å; V292-Q295 HydrophobicContact CG1-CG 3.99Å
293	S	92.9	Very high	90.5	Very high	52 Å²	52	29.1 Å²	29.1	36%	0.364	15%	0.153	S	C	.	.			trans	-61.5	156.2	174.6	-54.6	0	0	0	0	110.6	Q295	S293-Q295 PolarHBondContact O-N 3.46Å; S293-Q295 VanDerWaalsContact O-N 3.09Å; S293-Q295 PolarHBondContact O-NE2 3.28Å
294	P	92.9	Very high	90.2	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.013	15%	0.15	C	C	.	.			trans	-49.9	118.3	175.1	-26.7	33.5	0	0	0	111.9	M178 F290 L299 K300	M178-P294 HydrophobicContact CG-CG 4.32Å; M178-P294 HydrophobicContact SD-CB 4.45Å; M178-P294 HydrophobicContact SD-CG 3.74Å; F290-P294 HydrophobicContact CE1-CG 4.2Å; P294-L299 HydrophobicContact CB-CB 4.21Å; P294-L299 HydrophobicContact CB-CD2 4.04Å; P294-L299 HydrophobicContact CB-CG 3.9Å; P294-K300 HydrophobicContact CB-CG 3.7Å; P294-K300 WeakPolarHBondContact O-CE 3.3Å
295	Q	90	Very high	89.9	Confident	117 Å²	117	28.6 Å²	28.6	55%	0.547	15%	0.152	S	C	.	.			trans	-81.9	-29.1	-173	-65.4	-59.9	-58.1	0	0	113.1	S177 V292 S293	S177-Q295 WeakPolarHBondContact O-CG 3.41Å; S177-Q295 PolarHBondContact O-N 3.1Å; V292-Q295 HydrophobicContact CG1-CG 3.99Å; S293-Q295 PolarHBondContact O-N 3.46Å; S293-Q295 VanDerWaalsContact O-N 3.09Å; S293-Q295 PolarHBondContact O-NE2 3.28Å
296	T	85.2	Confident	89.8	Confident	53 Å²	53	28.6 Å²	28.6	33%	0.325	15%	0.152	S	C	.	.	S	Bend	trans	-102	150.9	-176.9	69.3	0	0	0	0	112.3	K298 L299 K300	T296-K298 VanDerWaalsContact C-N 3.29Å; T296-K298 PolarHBondContact O-N 2.92Å; T296-L299 PolarHBondContact O-N 2.94Å; T296-L299 VanDerWaalsContact OG1-CB 3.24Å; T296-L299 WeakPolarHBondContact OG1-CB 3.49Å; T296-L299 PolarHBondContact OG1-N 3.33Å; T296-K300 WeakPolarHBondContact O-CG 3.42Å; T296-K300 PolarHBondContact O-N 2.99Å
297	S	79.4	Confident	89.9	Confident	76 Å²	76	28 Å²	28	53%	0.531	15%	0.15	S	C	.	.	H	α-helix	trans	-57.5	-42.9	174.4	53.3	0	0	0	0	111.9	L299 K300 Q301	S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 2.96Å; S297-K300 PolarHBondContact O-N 3.49Å; S297-Q301 WeakPolarHBondContact O-CB 3.38Å; S297-Q301 PolarHBondContact O-N 3.34Å
298	K	81.1	Confident	89.9	Confident	45 Å²	45	28.3 Å²	28.3	20%	0.196	15%	0.151	C	C	.	.	H	α-helix	trans	-59.5	-43	177.5	-63.9	-175.6	177.4	-178	0	112.3	H112 I269 T296 A302	H112-K298 HydrophobicContact CB-CD 4.05Å; I269-K298 HydrophobicContact CD1-CB 4.19Å; T296-K298 VanDerWaalsContact C-N 3.29Å; T296-K298 PolarHBondContact O-N 2.92Å; K298-A302 WeakPolarHBondContact O-CB 3.37Å; K298-A302 PolarHBondContact O-N 3.09Å
299	L	88.4	Confident	90	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-71.7	-40.7	178.5	-171.3	61.7	0	0	0	111.8	M178 T265 I269 L272 P294 T296 S297 Q301 A302 C303	M178-L299 HydrophobicContact CB-CD2 3.64Å; M178-L299 HydrophobicContact CE-CD1 4.3Å; M178-L299 HydrophobicContact CE-CD2 4.35Å; M178-L299 HydrophobicContact CG-CD2 4.48Å; M178-L299 HydrophobicContact SD-CD2 4.14Å; M178-L299 HydrophobicContact SD-CG 4.39Å; T265-L299 HydrophobicContact CG2-CD2 4.4Å; I269-L299 HydrophobicContact CD1-CB 4.37Å; I269-L299 HydrophobicContact CD1-CD1 4.36Å; I269-L299 HydrophobicContact CG1-CB 4.43Å; I269-L299 HydrophobicContact CG1-CD1 3.62Å; L272-L299 HydrophobicContact CD1-CD1 4.1Å; P294-L299 HydrophobicContact CB-CB 4.21Å; P294-L299 HydrophobicContact CB-CD2 4.04Å; P294-L299 HydrophobicContact CB-CG 3.9Å; T296-L299 PolarHBondContact O-N 2.94Å; T296-L299 VanDerWaalsContact OG1-CB 3.24Å; T296-L299 WeakPolarHBondContact OG1-CB 3.49Å; T296-L299 PolarHBondContact OG1-N 3.33Å; S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 2.96Å; L299-Q301 VanDerWaalsContact C-N 3.32Å; L299-Q301 PolarHBondContact O-N 2.82Å; L299-A302 WeakPolarHBondContact O-CB 3.28Å; L299-A302 PolarHBondContact O-N 2.98Å; L299-C303 PolarHBondContact O-N 2.81Å; L299-C303 PolarHBondContact O-SG 3.18Å
300	K	87.7	Confident	90.3	Very high	77 Å²	77	27.6 Å²	27.6	34%	0.335	15%	0.15	S	C	.	.	H	α-helix	trans	-56.5	-47.6	172.5	-71	175.7	-173.8	-178.8	0	111.3	A151 L153 P294 T296 S297 A302 C303 N304	A151-K300 HydrophobicContact CB-CB 4.26Å; L153-K300 HydrophobicContact CD2-CG 4.47Å; P294-K300 HydrophobicContact CB-CG 3.7Å; P294-K300 WeakPolarHBondContact O-CE 3.3Å; T296-K300 WeakPolarHBondContact O-CG 3.42Å; T296-K300 PolarHBondContact O-N 2.99Å; S297-K300 PolarHBondContact O-N 3.49Å; K300-A302 VanDerWaalsContact C-N 3.35Å; K300-A302 PolarHBondContact O-N 3.02Å; K300-C303 WeakPolarHBondContact O-CB 3.3Å; K300-C303 PolarHBondContact O-N 3.43Å; K300-N304 PolarHBondContact O-N 3.43Å; K300-N304 VanDerWaalsContact O-N 3.16Å
301	Q	83.3	Confident	90.5	Very high	33 Å²	33	26.8 Å²	26.8	15%	0.154	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-40.1	178.4	-163.8	-170.1	18.5	0	0	111.8	S297 L299 C303 N304 M305	S297-Q301 WeakPolarHBondContact O-CB 3.38Å; S297-Q301 PolarHBondContact O-N 3.34Å; L299-Q301 VanDerWaalsContact C-N 3.32Å; L299-Q301 PolarHBondContact O-N 2.82Å; Q301-C303 VanDerWaalsContact C-N 3.33Å; Q301-C303 PolarHBondContact O-N 2.85Å; Q301-N304 PolarHBondContact O-N 3.26Å; Q301-M305 HydrophobicContact CG-CE 4.16Å; Q301-M305 HydrophobicContact CG-SD 3.65Å; Q301-M305 PolarHBondContact O-N 2.89Å
302	A	88.5	Confident	90.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.7	-42.3	174.8	0	0	0	0	0	112.3	I269 L272 Q273 K298 L299 K300 N306	I269-A302 HydrophobicContact CB-CB 4.45Å; I269-A302 HydrophobicContact CG1-CB 4.27Å; I269-A302 HydrophobicContact CG2-CB 4.09Å; L272-A302 HydrophobicContact CB-CB 3.93Å; L272-A302 HydrophobicContact CD1-CB 4.05Å; Q273-A302 HydrophobicContact CG-CB 3.56Å; K298-A302 WeakPolarHBondContact O-CB 3.37Å; K298-A302 PolarHBondContact O-N 3.09Å; L299-A302 WeakPolarHBondContact O-CB 3.28Å; L299-A302 PolarHBondContact O-N 2.98Å; K300-A302 VanDerWaalsContact C-N 3.35Å; K300-A302 PolarHBondContact O-N 3.02Å; A302-N306 WeakPolarHBondContact O-CB 3.48Å; A302-N306 PolarHBondContact O-N 3.31Å
303	C	93.1	Very high	90.8	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.034	13%	0.133	C	C	.	.	H	α-helix	trans	-61.4	-45.4	176.2	-64.9	0	0	0	0	112.3	M284 L299 K300 Q301 N306 L307	M284-C303 HydrophobicContact CE-CB 4.29Å; M284-C303 WeakPolarHBondContact CE-SG 3.46Å; L299-C303 PolarHBondContact O-N 2.81Å; L299-C303 PolarHBondContact O-SG 3.18Å; K300-C303 WeakPolarHBondContact O-CB 3.3Å; K300-C303 PolarHBondContact O-N 3.43Å; Q301-C303 VanDerWaalsContact C-N 3.33Å; Q301-C303 PolarHBondContact O-N 2.85Å; C303-N306 WeakPolarHBondContact O-CB 3.49Å; C303-N306 PolarHBondContact O-N 3.24Å; C303-L307 PolarHBondContact O-N 2.92Å
304	N	89.6	Confident	91	Very high	9 Å²	9	22 Å²	22	5%	0.048	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-53.2	176.7	-76.5	-2	0	0	0	112.1	L148 F150 A151 V152 K300 Q301 N306 L307 E308	L148-N304 HydrophobicContact CB-CB 4.38Å; L148-N304 HydrophobicContact CD1-CB 3.73Å; F150-N304 PolarHBondContact O-ND2 2.99Å; A151-N304 VanDerWaalsContact CA-ND2 3.32Å; A151-N304 WeakPolarHBondContact CA-ND2 3.26Å; A151-N304 WeakPolarHBondContact CA-OD1 3.21Å; V152-N304 PolarHBondContact N-OD1 3.13Å; V152-N304 PolarHBondContact O-OD1 3.15Å; K300-N304 PolarHBondContact O-N 3.43Å; K300-N304 VanDerWaalsContact O-N 3.16Å; Q301-N304 PolarHBondContact O-N 3.26Å; N304-N306 PolarHBondContact O-N 3.45Å; N304-L307 WeakPolarHBondContact O-CA 3.2Å; N304-L307 WeakPolarHBondContact O-CB 3.46Å; N304-L307 PolarHBondContact O-N 2.92Å; N304-E308 PolarHBondContact O-N 3.16Å; N304-E308 VanDerWaalsContact O-N 3.09Å
305	M	89.2	Confident	91.1	Very high	15 Å²	15	22 Å²	22	7%	0.074	12%	0.115	C	C	.	.	H	α-helix	trans	-63.7	-31.4	-176.7	-79.3	152.3	154.8	0	0	111.6	R114 Q301 L307 E308 S309	R114-M305 PolarHBondContact NH2-SD 3.11Å; Q301-M305 HydrophobicContact CG-CE 4.16Å; Q301-M305 HydrophobicContact CG-SD 3.65Å; Q301-M305 PolarHBondContact O-N 2.89Å; M305-L307 VanDerWaalsContact C-N 3.29Å; M305-L307 PolarHBondContact O-N 2.9Å; M305-E308 WeakPolarHBondContact CG-OE2 3.32Å; M305-E308 PolarHBondContact O-N 3.23Å; M305-S309 WeakPolarHBondContact O-CB 3.46Å; M305-S309 PolarHBondContact O-N 2.77Å; M305-S309 PolarHBondContact O-OG 3.02Å; M305-S309 VanDerWaalsContact O-OG 3.06Å
306	N	95.3	Very high	91.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.8	-38.2	171.8	-176.2	46.6	0	0	0	112.8	L272 W275 S281 H285 A302 C303 N304 A310	L272-N306 HydrophobicContact CB-CB 4.22Å; L272-N306 HydrophobicContact CD2-CB 3.76Å; L272-N306 WeakPolarHBondContact O-CB 3.4Å; W275-N306 PolarHBondContact NE1-OD1 3.02Å; S281-N306 VanDerWaalsContact CB-OD1 3.25Å; S281-N306 WeakPolarHBondContact CB-OD1 3.23Å; S281-N306 PolarHBondContact O-ND2 3.01Å; H285-N306 PolarHBondContact CD2-ND2 3.25Å; H285-N306 PolarHBondContact CD2-OD1 3.45Å; H285-N306 VanDerWaalsContact CD2-OD1 3.31Å; H285-N306 PolarHBondContact NE2-OD1 2.97Å; A302-N306 WeakPolarHBondContact O-CB 3.48Å; A302-N306 PolarHBondContact O-N 3.31Å; C303-N306 WeakPolarHBondContact O-CB 3.49Å; C303-N306 PolarHBondContact O-N 3.24Å; N304-N306 PolarHBondContact O-N 3.45Å; N306-A310 VanDerWaalsContact O-CB 3.3Å; N306-A310 WeakPolarHBondContact O-CB 3.46Å; N306-A310 PolarHBondContact O-N 3.24Å
307	L	96	Very high	92	Very high	3 Å²	3	15 Å²	15	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-69.9	-44.6	177.1	-59.9	174.3	0	0	0	110.9	V152 M284 C303 N304 M305 A310 C311 L365 Y366 V369	V152-L307 HydrophobicContact CG1-CD1 4.39Å; M284-L307 WeakPolarHBondContact O-CD2 3.34Å; C303-L307 PolarHBondContact O-N 2.92Å; N304-L307 WeakPolarHBondContact O-CA 3.2Å; N304-L307 WeakPolarHBondContact O-CB 3.46Å; N304-L307 PolarHBondContact O-N 2.92Å; M305-L307 VanDerWaalsContact C-N 3.29Å; M305-L307 PolarHBondContact O-N 2.9Å; L307-A310 PolarHBondContact O-N 2.87Å; L307-C311 PolarHBondContact O-N 3.15Å; L307-L365 HydrophobicContact CD1-CD1 3.55Å; L307-L365 HydrophobicContact CD1-CG 4.18Å; L307-L365 HydrophobicContact CD2-CD1 4.05Å; L307-L365 HydrophobicContact CD2-CD2 4.06Å; L307-L365 HydrophobicContact CD2-CG 4.05Å; L307-L365 HydrophobicContact CG-CD1 4.48Å; L307-Y366 HydrophobicContact CB-CE1 4.13Å; L307-Y366 HydrophobicContact CD2-CE1 4.36Å; L307-Y366 HydrophobicContact CD2-CE2 4.41Å; L307-Y366 WeakPolarHBondContact O-CE1 3.43Å; L307-V369 HydrophobicContact CB-CG2 3.84Å
308	E	92.6	Very high	92.8	Very high	11 Å²	11	12.1 Å²	12.1	5%	0.051	6%	0.058	C	C	.	.	H	α-helix	trans	-54.5	-55.7	173.6	-70.5	165.8	-169.3	0	0	111.4	L148 N304 M305 A310 C311 Y312 V369	L148-E308 WeakPolarHBondContact CB-OE1 3.39Å; L148-E308 HydrophobicContact CD1-CG 4.08Å; L148-E308 WeakPolarHBondContact CD1-OE1 3.38Å; L148-E308 HydrophobicContact CG-CG 4.13Å; L148-E308 WeakPolarHBondContact CG-OE1 3.31Å; L148-E308 PolarHBondContact N-OE1 2.73Å; N304-E308 PolarHBondContact O-N 3.16Å; N304-E308 VanDerWaalsContact O-N 3.09Å; M305-E308 WeakPolarHBondContact CG-OE2 3.32Å; M305-E308 PolarHBondContact O-N 3.23Å; E308-A310 VanDerWaalsContact C-N 3.26Å; E308-A310 PolarHBondContact O-N 3.25Å; E308-C311 WeakPolarHBondContact O-CA 3.3Å; E308-C311 WeakPolarHBondContact O-CB 3.18Å; E308-C311 PolarHBondContact O-N 3.34Å; E308-Y312 HydrophobicContact CB-CD2 4.34Å; E308-Y312 HydrophobicContact CB-CE2 3.8Å; E308-Y312 WeakPolarHBondContact O-CD2 3.31Å; E308-Y312 PolarHBondContact O-N 2.95Å; E308-V369 HydrophobicContact CG-CG1 4.29Å; E308-V369 HydrophobicContact CG-CG2 4.49Å
309	S	94.9	Very high	93.5	Very high	12 Å²	12	13.4 Å²	13.4	8%	0.084	7%	0.071	C	C	.	.	H	α-helix	trans	-59.7	-36.2	179.6	-63.9	0	0	0	0	112.8	M305 A313 P403	M305-S309 WeakPolarHBondContact O-CB 3.46Å; M305-S309 PolarHBondContact O-N 2.77Å; M305-S309 PolarHBondContact O-OG 3.02Å; M305-S309 VanDerWaalsContact O-OG 3.06Å; S309-A313 WeakPolarHBondContact O-CB 3.42Å; S309-A313 PolarHBondContact O-N 3.04Å; S309-P403 VanDerWaalsContact CB-CG 3.45Å; S309-P403 WeakPolarHBondContact OG-CG 3.46Å
310	A	97.6	Very high	93.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.1	-41	175.6	0	0	0	0	0	111.8	W275 H285 N306 L307 E308 A314 I331 L334	W275-A310 HydrophobicContact CZ2-CB 4.32Å; H285-A310 HydrophobicContact CB-CB 4.36Å; H285-A310 VanDerWaalsContact CD2-CB 3.41Å; H285-A310 WeakPolarHBondContact CD2-CB 3.43Å; N306-A310 VanDerWaalsContact O-CB 3.3Å; N306-A310 WeakPolarHBondContact O-CB 3.46Å; N306-A310 PolarHBondContact O-N 3.24Å; L307-A310 PolarHBondContact O-N 2.87Å; E308-A310 VanDerWaalsContact C-N 3.26Å; E308-A310 PolarHBondContact O-N 3.25Å; A310-A314 VanDerWaalsContact O-CB 3.29Å; A310-A314 WeakPolarHBondContact O-CB 3.31Å; A310-A314 PolarHBondContact O-N 2.95Å; A310-I331 HydrophobicContact CB-CG2 4.24Å; A310-L334 HydrophobicContact CB-CD1 4.43Å
311	C	96.2	Very high	94.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.7	-53.3	175.6	-170	0	0	0	0	110.5	L307 E308 A313 A314 L315 Y366 V369	L307-C311 PolarHBondContact O-N 3.15Å; E308-C311 WeakPolarHBondContact O-CA 3.3Å; E308-C311 WeakPolarHBondContact O-CB 3.18Å; E308-C311 PolarHBondContact O-N 3.34Å; C311-A313 PolarHBondContact O-N 2.86Å; C311-A314 WeakPolarHBondContact O-CB 3.46Å; C311-A314 PolarHBondContact O-N 3.49Å; C311-L315 WeakPolarHBondContact O-CG 3.4Å; C311-L315 PolarHBondContact O-N 3.43Å; C311-Y366 HydrophobicContact CB-CD1 4.39Å; C311-Y366 HydrophobicContact CB-CE1 4.31Å; C311-V369 HydrophobicContact CB-CG1 3.6Å
312	Y	94.9	Very high	94.9	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.016	10%	0.099	C	C	.	.	H	α-helix	trans	-63.3	-39.7	-178.2	-56.3	-41.9	0	0	0	112.9	E308 A314 L315 L316 A373 T377 L398 L401	E308-Y312 HydrophobicContact CB-CD2 4.34Å; E308-Y312 HydrophobicContact CB-CE2 3.8Å; E308-Y312 WeakPolarHBondContact O-CD2 3.31Å; E308-Y312 PolarHBondContact O-N 2.95Å; Y312-A314 VanDerWaalsContact C-N 3.34Å; Y312-A314 PolarHBondContact O-N 3.21Å; Y312-L315 HydrophobicContact CD1-CD1 4.33Å; Y312-L315 PolarHBondContact O-N 3.23Å; Y312-L316 PolarHBondContact O-N 3.11Å; Y312-A373 HydrophobicContact CE1-CB 4.09Å; Y312-T377 HydrophobicContact CD1-CG2 4.36Å; Y312-T377 HydrophobicContact CE1-CG2 3.99Å; Y312-L398 HydrophobicContact CD1-CD2 3.97Å; Y312-L398 HydrophobicContact CG-CD2 4.47Å; Y312-L401 HydrophobicContact CD1-CD1 4.23Å; Y312-L401 HydrophobicContact CD2-CB 3.66Å; Y312-L401 HydrophobicContact CD2-CD1 3.93Å; Y312-L401 HydrophobicContact CD2-CG 4.35Å; Y312-L401 HydrophobicContact CE1-CD1 4.2Å; Y312-L401 HydrophobicContact CE2-CB 4.19Å; Y312-L401 HydrophobicContact CE2-CD1 3.88Å; Y312-L401 HydrophobicContact CE2-CG 4.45Å; Y312-L401 HydrophobicContact CG-CB 4.15Å; Y312-L401 HydrophobicContact CG-CD1 4.12Å
313	A	97.2	Very high	95.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.6	-37.9	172.9	0	0	0	0	0	112.2	W275 S309 C311 L317 L334 L402 I445	W275-A313 HydrophobicContact CH2-CB 3.56Å; W275-A313 HydrophobicContact CZ3-CB 3.96Å; S309-A313 WeakPolarHBondContact O-CB 3.42Å; S309-A313 PolarHBondContact O-N 3.04Å; C311-A313 PolarHBondContact O-N 2.86Å; A313-L317 VanDerWaalsContact O-CG 3.31Å; A313-L317 WeakPolarHBondContact O-CG 3.44Å; A313-L334 HydrophobicContact CB-CD1 3.93Å; A313-L402 HydrophobicContact CB-CD2 3.78Å; A313-I445 HydrophobicContact CB-CD1 4.25Å
314	A	97.8	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.7	-41.9	175.9	0	0	0	0	0	112	A310 C311 Y312 L316 L317 L318 L327 K330 I331	A310-A314 VanDerWaalsContact O-CB 3.29Å; A310-A314 WeakPolarHBondContact O-CB 3.31Å; A310-A314 PolarHBondContact O-N 2.95Å; C311-A314 WeakPolarHBondContact O-CB 3.46Å; C311-A314 PolarHBondContact O-N 3.49Å; Y312-A314 VanDerWaalsContact C-N 3.34Å; Y312-A314 PolarHBondContact O-N 3.21Å; A314-L316 VanDerWaalsContact C-N 3.32Å; A314-L316 PolarHBondContact O-N 2.78Å; A314-L317 CarbonylContact O-C 3.44Å; A314-L317 WeakPolarHBondContact O-CA 3.46Å; A314-L317 PolarHBondContact O-N 3.31Å; A314-L318 HydrophobicContact CB-CD1 4.38Å; A314-L318 WeakPolarHBondContact O-CD1 3.34Å; A314-L318 VanDerWaalsContact O-CG 3.26Å; A314-L318 WeakPolarHBondContact O-CG 3.49Å; A314-L318 PolarHBondContact O-N 3.06Å; A314-L318 VanDerWaalsContact O-N 3.11Å; A314-L327 HydrophobicContact CB-CD1 4.03Å; A314-K330 HydrophobicContact CB-CB 4.07Å; A314-K330 HydrophobicContact CB-CG 3.73Å; A314-I331 HydrophobicContact CB-CB 4.47Å; A314-I331 HydrophobicContact CB-CD1 4.49Å; A314-I331 HydrophobicContact CB-CG1 3.48Å; A314-I331 VanDerWaalsContact CB-CG1 3.48Å
315	L	96.2	Very high	95.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-56.5	-43.5	176.5	-70.4	179.5	0	0	0	112	C311 Y312 L317 L318 F322 L327 L379 Q388 L398	C311-L315 WeakPolarHBondContact O-CG 3.4Å; C311-L315 PolarHBondContact O-N 3.43Å; Y312-L315 HydrophobicContact CD1-CD1 4.33Å; Y312-L315 PolarHBondContact O-N 3.23Å; L315-L317 PolarHBondContact O-N 2.86Å; L315-L318 PolarHBondContact O-N 2.83Å; L315-F322 HydrophobicContact CD2-CE1 4.29Å; L315-F322 HydrophobicContact CD2-CE2 4.12Å; L315-F322 HydrophobicContact CD2-CZ 3.44Å; L315-F322 VanDerWaalsContact CD2-CZ 3.44Å; L315-L327 HydrophobicContact CD2-CD1 4.28Å; L315-L379 HydrophobicContact CD1-CD2 4.48Å; L315-L379 HydrophobicContact CD2-CD1 4Å; L315-L379 HydrophobicContact CD2-CD2 4.39Å; L315-Q388 PolarHBondContact O-NE2 3.01Å; L315-L398 HydrophobicContact CB-CD1 3.88Å; L315-L398 HydrophobicContact CD1-CD2 4.25Å
316	L	95.7	Very high	96.1	Very high	12 Å²	12	32.2 Å²	32.2	6%	0.063	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.2	174.4	-75.7	167.4	0	0	0	114.5	Y312 A314 L395 L398 L399 L402 S438	Y312-L316 PolarHBondContact O-N 3.11Å; A314-L316 VanDerWaalsContact C-N 3.32Å; A314-L316 PolarHBondContact O-N 2.78Å; L316-L395 HydrophobicContact CD2-CD2 3.92Å; L316-L398 HydrophobicContact CD1-CB 4.12Å; L316-L398 HydrophobicContact CD2-CB 3.67Å; L316-L398 HydrophobicContact CD2-CD1 4.08Å; L316-L398 HydrophobicContact CG-CB 3.77Å; L316-L398 HydrophobicContact CG-CD1 4.08Å; L316-L399 HydrophobicContact CD1-CD2 4.12Å; L316-L399 HydrophobicContact CD1-CG 4.43Å; L316-L399 HydrophobicContact CD2-CD2 4.39Å; L316-L399 HydrophobicContact CD2-CG 4.17Å; L316-L402 HydrophobicContact CD1-CD1 3.78Å; L316-L402 HydrophobicContact CD1-CD2 3.84Å; L316-L402 HydrophobicContact CD1-CG 3.85Å; L316-S438 WeakPolarHBondContact O-CB 3.34Å; L316-S438 PolarHBondContact O-OG 3.39Å
317	L	96.4	Very high	96.2	Very high	11 Å²	11	32.2 Å²	32.2	6%	0.058	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	7	-177.5	-58	-176.4	0	0	0	113	A313 A314 L315 K330 L334 S438 V441 E442	A313-L317 VanDerWaalsContact O-CG 3.31Å; A313-L317 WeakPolarHBondContact O-CG 3.44Å; A314-L317 CarbonylContact O-C 3.44Å; A314-L317 WeakPolarHBondContact O-CA 3.46Å; A314-L317 PolarHBondContact O-N 3.31Å; L315-L317 PolarHBondContact O-N 2.86Å; L317-K330 HydrophobicContact CB-CD 3.78Å; L317-K330 HydrophobicContact CB-CG 4.19Å; L317-K330 HydrophobicContact CD1-CD 4.4Å; L317-K330 WeakPolarHBondContact O-CE 3.36Å; L317-K330 PolarHBondContact O-NZ 3.42Å; L317-L334 HydrophobicContact CD1-CD2 3.66Å; L317-S438 WeakPolarHBondContact CD2-O 3.45Å; L317-S438 VanDerWaalsContact CD2-OG 3.3Å; L317-S438 WeakPolarHBondContact CD2-OG 3.38Å; L317-V441 HydrophobicContact CD2-CB 4.35Å; L317-V441 HydrophobicContact CD2-CG1 4.26Å; L317-E442 HydrophobicContact CD1-CB 4.36Å; L317-E442 HydrophobicContact CD1-CG 4.4Å; L317-E442 HydrophobicContact CD2-CB 3.92Å
318	L	96.6	Very high	96.2	Very high	16 Å²	16	32.1 Å²	32.1	8%	0.084	16%	0.155	C	C	.	.	S	Bend	trans	-108.5	153.7	178.2	-77.6	162.1	0	0	0	110.2	A314 L315 F322 E326 L327 K330	A314-L318 HydrophobicContact CB-CD1 4.38Å; A314-L318 WeakPolarHBondContact O-CD1 3.34Å; A314-L318 VanDerWaalsContact O-CG 3.26Å; A314-L318 WeakPolarHBondContact O-CG 3.49Å; A314-L318 PolarHBondContact O-N 3.06Å; A314-L318 VanDerWaalsContact O-N 3.11Å; L315-L318 PolarHBondContact O-N 2.83Å; L318-F322 HydrophobicContact CB-CD1 3.9Å; L318-F322 HydrophobicContact CB-CE1 4.18Å; L318-F322 HydrophobicContact CB-CG 4.19Å; L318-F322 HydrophobicContact CD1-CD1 4.44Å; L318-F322 HydrophobicContact CD1-CD2 3.84Å; L318-F322 HydrophobicContact CD1-CE1 4.49Å; L318-F322 HydrophobicContact CD1-CE2 3.87Å; L318-F322 HydrophobicContact CD1-CG 4.13Å; L318-F322 HydrophobicContact CD1-CZ 4.21Å; L318-F322 HydrophobicContact CD2-CB 4.17Å; L318-F322 HydrophobicContact CD2-CG 4.23Å; L318-F322 HydrophobicContact CG-CG 4.4Å; L318-E326 HydrophobicContact CD2-CB 4.46Å; L318-L327 HydrophobicContact CD1-CB 4.33Å; L318-L327 HydrophobicContact CD1-CD1 3.62Å; L318-K330 HydrophobicContact CD1-CB 4.13Å; L318-K330 HydrophobicContact CD1-CG 4.33Å; L318-K330 HydrophobicContact CD2-CB 3.99Å; L318-K330 HydrophobicContact CD2-CG 4.31Å; L318-K330 HydrophobicContact CG-CB 4.07Å; L318-K330 HydrophobicContact CG-CG 4Å
319	P	95.7	Very high	96.4	Very high	73 Å²	73	34.4 Å²	34.4	47%	0.474	17%	0.166	S	C	.	.			trans	-68.2	-178.6	173.7	31.5	-37.3	0	0	0	112	R321 F322 Q388	P319-R321 VanDerWaalsContact C-N 3.33Å; P319-R321 WeakPolarHBondContact CG-O 3.31Å; P319-R321 PolarHBondContact O-N 3.46Å; P319-F322 HydrophobicContact CG-CB 4.36Å; P319-F322 VanDerWaalsContact O-CD1 3.28Å; P319-F322 WeakPolarHBondContact O-CD1 3.42Å; P319-Q388 PolarHBondContact O-NE2 2.86Å
320	E	95	Very high	96.5	Very high	97 Å²	97	36.5 Å²	36.5	45%	0.453	17%	0.173	S	C	.	.	S	Bend	trans	-60.8	-38.9	176.3	173.8	162.6	-149	0	0	112.6	E387 Q388 L390	E320-E387 HydrophobicContact CG-CG 4.34Å; E320-E387 CarbonylContact O-C 3.59Å; E320-E387 VanDerWaalsContact O-CA 3.27Å; E320-E387 WeakPolarHBondContact O-CA 3.47Å; E320-Q388 WeakPolarHBondContact CG-O 3.19Å; E320-Q388 PolarHBondContact O-N 3.24Å; E320-L390 HydrophobicContact CB-CD1 4.13Å; E320-L390 HydrophobicContact CB-CG 4.25Å
321	R	96.9	Very high	96.6	Very high	162 Å²	162	36.5 Å²	36.5	61%	0.611	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.7	176.5	-69.2	-174.7	176.6	133.5	12.1	111.4	P319 F386 E387	P319-R321 VanDerWaalsContact C-N 3.33Å; P319-R321 WeakPolarHBondContact CG-O 3.31Å; P319-R321 PolarHBondContact O-N 3.46Å; R321-F386 WeakPolarHBondContact CA-O 3.38Å; R321-E387 HydrophobicContact CG-CB 4.35Å; R321-E387 HydrophobicContact CG-CG 4.03Å; R321-E387 IonicContact CZ-OE1 3.83Å; R321-E387 IonicContact CZ-OE2 3.42Å; R321-E387 IonicContact NE-OE1 3.72Å; R321-E387 IonicContact NE-OE2 2.84Å; R321-E387 PolarHBondContact NE-OE2 3.34Å; R321-E387 IonicContact NH2-OE1 3.09Å; R321-E387 PolarHBondContact NH2-OE1 3.09Å; R321-E387 VanDerWaalsContact NH2-OE1 3.09Å; R321-E387 IonicContact NH2-OE2 3.11Å; R321-E387 PolarHBondContact NH2-OE2 3.39Å; R321-E387 VanDerWaalsContact NH2-OE2 3.11Å
322	F	97.7	Very high	96.5	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	155.6	179.8	54.6	-84.4	0	0	0	110.8	L315 L318 P319 E326 L327 L379 S385 F386 Q388	L315-F322 HydrophobicContact CD2-CE1 4.29Å; L315-F322 HydrophobicContact CD2-CE2 4.12Å; L315-F322 HydrophobicContact CD2-CZ 3.44Å; L315-F322 VanDerWaalsContact CD2-CZ 3.44Å; L318-F322 HydrophobicContact CB-CD1 3.9Å; L318-F322 HydrophobicContact CB-CE1 4.18Å; L318-F322 HydrophobicContact CB-CG 4.19Å; L318-F322 HydrophobicContact CD1-CD1 4.44Å; L318-F322 HydrophobicContact CD1-CD2 3.84Å; L318-F322 HydrophobicContact CD1-CE1 4.49Å; L318-F322 HydrophobicContact CD1-CE2 3.87Å; L318-F322 HydrophobicContact CD1-CG 4.13Å; L318-F322 HydrophobicContact CD1-CZ 4.21Å; L318-F322 HydrophobicContact CD2-CB 4.17Å; L318-F322 HydrophobicContact CD2-CG 4.23Å; L318-F322 HydrophobicContact CG-CG 4.4Å; P319-F322 HydrophobicContact CG-CB 4.36Å; P319-F322 VanDerWaalsContact O-CD1 3.28Å; P319-F322 WeakPolarHBondContact O-CD1 3.42Å; F322-E326 WeakPolarHBondContact CA-OE2 3.37Å; F322-E326 HydrophobicContact CB-CB 4.26Å; F322-L327 HydrophobicContact CD2-CB 4.08Å; F322-L327 HydrophobicContact CE2-CB 4.03Å; F322-L327 HydrophobicContact CE2-CD1 4.24Å; F322-L327 HydrophobicContact CE2-CG 4.5Å; F322-L379 HydrophobicContact CZ-CD1 3.94Å; F322-S385 CarbonylContact O-C 3.56Å; F322-S385 WeakPolarHBondContact O-CA 3.18Å; F322-F386 HydrophobicContact CD2-CB 4.17Å; F322-F386 HydrophobicContact CD2-CD2 4.24Å; F322-F386 HydrophobicContact CE1-CB 4.2Å; F322-F386 HydrophobicContact CE2-CB 3.58Å; F322-F386 AromaticContact CE2-CD2 3.86Å; F322-F386 HydrophobicContact CE2-CD2 3.86Å; F322-F386 AromaticContact CE2-CG 3.97Å; F322-F386 HydrophobicContact CE2-CG 3.97Å; F322-F386 HydrophobicContact CZ-CB 3.6Å; F322-F386 HydrophobicContact CZ-CG 4.34Å; F322-F386 PolarHBondContact N-O 3.19Å; F322-F386 VanDerWaalsContact N-O 3.14Å; F322-F386 PolarHBondContact O-N 2.91Å; F322-Q388 HydrophobicContact CE1-CG 3.93Å; F322-Q388 VanDerWaalsContact CE1-NE2 3.27Å
323	T	96.8	Very high	96.5	Very high	48 Å²	48	37.2 Å²	37.2	29%	0.294	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	161.6	177.2	61.1	0	0	0	0	111.9	E325 E326 L327	T323-E325 PolarHBondContact O-N 2.87Å; T323-E326 WeakPolarHBondContact CB-OE2 3.39Å; T323-E326 PolarHBondContact N-OE2 2.95Å; T323-E326 PolarHBondContact O-N 3.35Å; T323-E326 WeakPolarHBondContact OG1-CB 3.44Å; T323-E326 VanDerWaalsContact OG1-CG 3.23Å; T323-E326 WeakPolarHBondContact OG1-CG 3.47Å; T323-E326 PolarHBondContact OG1-N 3.29Å; T323-E326 PolarHBondContact OG1-OE2 3.38Å; T323-L327 PolarHBondContact O-N 2.91Å; T323-L327 VanDerWaalsContact O-N 3.08Å
324	E	95.2	Very high	96.5	Very high	41 Å²	41	37.2 Å²	37.2	19%	0.192	18%	0.179	C	C	.	.	H	α-helix	trans	-56.8	-38.5	171.2	-173	-178.9	-173.4	0	0	112.5	L327 Y328 S363 S384 F386	E324-L327 WeakPolarHBondContact O-CB 3.43Å; E324-L327 PolarHBondContact O-N 2.85Å; E324-Y328 HydrophobicContact CG-CD2 4.17Å; E324-Y328 HydrophobicContact CG-CE1 4.44Å; E324-Y328 HydrophobicContact CG-CE2 3.33Å; E324-Y328 VanDerWaalsContact CG-CZ 3.45Å; E324-Y328 VanDerWaalsContact CG-OH 3.28Å; E324-Y328 WeakPolarHBondContact CG-OH 3.03Å; E324-Y328 VanDerWaalsContact O-CD2 3.29Å; E324-Y328 WeakPolarHBondContact O-CD2 3.4Å; E324-Y328 PolarHBondContact O-N 3.09Å; E324-Y328 WeakPolarHBondContact OE1-CE2 3.5Å; E324-Y328 PolarHBondContact OE1-OH 2.77Å; E324-S363 WeakPolarHBondContact OE1-CB 3.26Å; E324-S363 PolarHBondContact OE1-OG 3.38Å; E324-S384 PolarHBondContact N-O 3.35Å; E324-F386 HydrophobicContact CB-CE2 3.87Å; E324-F386 HydrophobicContact CG-CE2 4.18Å
325	E	95.4	Very high	96.2	Very high	91 Å²	91	37.9 Å²	37.9	43%	0.425	18%	0.183	S	C	.	.	H	α-helix	trans	-65	-44.6	176.7	-64.6	-171.6	163.7	0	0	111.9	T323 L327 Y328 E329 V359	T323-E325 PolarHBondContact O-N 2.87Å; E325-L327 VanDerWaalsContact C-N 3.29Å; E325-L327 PolarHBondContact O-N 2.99Å; E325-Y328 PolarHBondContact O-N 3.27Å; E325-Y328 VanDerWaalsContact O-N 3.14Å; E325-E329 WeakPolarHBondContact O-CG 3.36Å; E325-E329 PolarHBondContact O-N 3.42Å; E325-V359 HydrophobicContact CG-CG1 4.48Å; E325-V359 HydrophobicContact CG-CG2 4.19Å
326	E	97.2	Very high	96	Very high	91 Å²	91	39.2 Å²	39.2	43%	0.425	19%	0.189	S	C	.	.	H	α-helix	trans	-61.8	-36.5	177.2	-75.7	167.3	134.5	0	0	112.3	L318 F322 T323 E329 K330	L318-E326 HydrophobicContact CD2-CB 4.46Å; F322-E326 WeakPolarHBondContact CA-OE2 3.37Å; F322-E326 HydrophobicContact CB-CB 4.26Å; T323-E326 WeakPolarHBondContact CB-OE2 3.39Å; T323-E326 PolarHBondContact N-OE2 2.95Å; T323-E326 PolarHBondContact O-N 3.35Å; T323-E326 WeakPolarHBondContact OG1-CB 3.44Å; T323-E326 VanDerWaalsContact OG1-CG 3.23Å; T323-E326 WeakPolarHBondContact OG1-CG 3.47Å; T323-E326 PolarHBondContact OG1-N 3.29Å; T323-E326 PolarHBondContact OG1-OE2 3.38Å; E326-E329 PolarHBondContact O-N 2.92Å; E326-K330 WeakPolarHBondContact O-CB 3.21Å; E326-K330 PolarHBondContact O-N 3.24Å
327	L	97.5	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	-49.5	172.4	175.7	64.8	0	0	0	111.2	A314 L315 L318 F322 T323 E324 E325 E329 K330 I331 L370 F386	A314-L327 HydrophobicContact CB-CD1 4.03Å; L315-L327 HydrophobicContact CD2-CD1 4.28Å; L318-L327 HydrophobicContact CD1-CB 4.33Å; L318-L327 HydrophobicContact CD1-CD1 3.62Å; F322-L327 HydrophobicContact CD2-CB 4.08Å; F322-L327 HydrophobicContact CE2-CB 4.03Å; F322-L327 HydrophobicContact CE2-CD1 4.24Å; F322-L327 HydrophobicContact CE2-CG 4.5Å; T323-L327 PolarHBondContact O-N 2.91Å; T323-L327 VanDerWaalsContact O-N 3.08Å; E324-L327 WeakPolarHBondContact O-CB 3.43Å; E324-L327 PolarHBondContact O-N 2.85Å; E325-L327 VanDerWaalsContact C-N 3.29Å; E325-L327 PolarHBondContact O-N 2.99Å; L327-E329 PolarHBondContact O-N 3.26Å; L327-K330 PolarHBondContact O-N 2.85Å; L327-I331 HydrophobicContact CD1-CD1 3.93Å; L327-I331 HydrophobicContact CD1-CG1 4.27Å; L327-I331 HydrophobicContact CG-CD1 3.87Å; L327-I331 WeakPolarHBondContact O-CB 3.46Å; L327-I331 VanDerWaalsContact O-CG1 3.31Å; L327-I331 WeakPolarHBondContact O-CG1 3.38Å; L327-I331 PolarHBondContact O-N 2.89Å; L327-L370 HydrophobicContact CD2-CD1 4.24Å; L327-L370 HydrophobicContact CD2-CD2 3.74Å; L327-L370 HydrophobicContact CD2-CG 4.47Å; L327-F386 HydrophobicContact CD2-CE2 4.4Å
328	Y	97	Very high	95.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.6	-33.5	-179	-60.4	-29.3	0	0	0	113.2	E324 E325 I331 S332 V359 F362 S363 Y366	E324-Y328 HydrophobicContact CG-CD2 4.17Å; E324-Y328 HydrophobicContact CG-CE1 4.44Å; E324-Y328 HydrophobicContact CG-CE2 3.33Å; E324-Y328 VanDerWaalsContact CG-CZ 3.45Å; E324-Y328 VanDerWaalsContact CG-OH 3.28Å; E324-Y328 WeakPolarHBondContact CG-OH 3.03Å; E324-Y328 VanDerWaalsContact O-CD2 3.29Å; E324-Y328 WeakPolarHBondContact O-CD2 3.4Å; E324-Y328 PolarHBondContact O-N 3.09Å; E324-Y328 WeakPolarHBondContact OE1-CE2 3.5Å; E324-Y328 PolarHBondContact OE1-OH 2.77Å; E325-Y328 PolarHBondContact O-N 3.27Å; E325-Y328 VanDerWaalsContact O-N 3.14Å; Y328-I331 HydrophobicContact CD1-CD1 4.34Å; Y328-S332 WeakPolarHBondContact O-CB 3.49Å; Y328-S332 PolarHBondContact O-N 2.89Å; Y328-S332 PolarHBondContact O-OG 3.43Å; Y328-V359 HydrophobicContact CE2-CG1 4.37Å; Y328-F362 HydrophobicContact CD1-CB 3.82Å; Y328-F362 HydrophobicContact CD1-CD1 4.05Å; Y328-F362 HydrophobicContact CD1-CG 4.28Å; Y328-F362 HydrophobicContact CD2-CB 3.37Å; Y328-F362 HydrophobicContact CD2-CG 4.07Å; Y328-F362 HydrophobicContact CE1-CB 4.03Å; Y328-F362 HydrophobicContact CE2-CB 3.55Å; Y328-F362 HydrophobicContact CG-CB 3.52Å; Y328-F362 AromaticContact CG-CD1 3.94Å; Y328-F362 HydrophobicContact CG-CD1 3.94Å; Y328-F362 AromaticContact CG-CG 3.87Å; Y328-F362 HydrophobicContact CG-CG 3.87Å; Y328-S363 VanDerWaalsContact OH-CA 3.24Å; Y328-S363 WeakPolarHBondContact OH-CA 3.47Å; Y328-Y366 HydrophobicContact CD1-CD2 4.27Å; Y328-Y366 HydrophobicContact CE1-CD2 4.11Å; Y328-Y366 HydrophobicContact CE1-CG 4.19Å
329	E	96.7	Very high	94.7	Very high	59 Å²	59	39 Å²	39	28%	0.276	19%	0.187	S	C	.	.	H	α-helix	trans	-63.4	-46.3	170.5	-73	-164.9	-173.7	0	0	110.9	E325 E326 L327 S332 S333 I351 R352 V355	E325-E329 WeakPolarHBondContact O-CG 3.36Å; E325-E329 PolarHBondContact O-N 3.42Å; E326-E329 PolarHBondContact O-N 2.92Å; L327-E329 PolarHBondContact O-N 3.26Å; E329-S332 PolarHBondContact O-N 3.46Å; E329-S333 VanDerWaalsContact O-CB 3.3Å; E329-S333 WeakPolarHBondContact O-CB 3.38Å; E329-S333 PolarHBondContact O-N 2.81Å; E329-I351 HydrophobicContact CB-CG2 4.19Å; E329-I351 HydrophobicContact CG-CG2 4.38Å; E329-I351 WeakPolarHBondContact O-CG2 3.34Å; E329-R352 WeakPolarHBondContact OE1-CA 3.49Å; E329-R352 VanDerWaalsContact OE1-CB 3.31Å; E329-R352 WeakPolarHBondContact OE1-CB 3.29Å; E329-R352 VanDerWaalsContact OE1-CG 3.28Å; E329-R352 WeakPolarHBondContact OE1-CG 3.31Å; E329-V355 HydrophobicContact CG-CB 3.92Å; E329-V355 HydrophobicContact CG-CG1 4.02Å; E329-V355 HydrophobicContact CG-CG2 3.89Å
330	K	97.5	Very high	94	Very high	56 Å²	56	36.4 Å²	36.4	24%	0.243	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-49.8	178.3	-171.9	64.9	55.8	150.4	0	111.7	A314 L317 L318 E326 L327 S332 S333 L334	A314-K330 HydrophobicContact CB-CB 4.07Å; A314-K330 HydrophobicContact CB-CG 3.73Å; L317-K330 HydrophobicContact CB-CD 3.78Å; L317-K330 HydrophobicContact CB-CG 4.19Å; L317-K330 HydrophobicContact CD1-CD 4.4Å; L317-K330 WeakPolarHBondContact O-CE 3.36Å; L317-K330 PolarHBondContact O-NZ 3.42Å; L318-K330 HydrophobicContact CD1-CB 4.13Å; L318-K330 HydrophobicContact CD1-CG 4.33Å; L318-K330 HydrophobicContact CD2-CB 3.99Å; L318-K330 HydrophobicContact CD2-CG 4.31Å; L318-K330 HydrophobicContact CG-CB 4.07Å; L318-K330 HydrophobicContact CG-CG 4Å; E326-K330 WeakPolarHBondContact O-CB 3.21Å; E326-K330 PolarHBondContact O-N 3.24Å; L327-K330 PolarHBondContact O-N 2.85Å; K330-S332 VanDerWaalsContact C-N 3.3Å; K330-S332 PolarHBondContact O-N 2.89Å; K330-S333 WeakPolarHBondContact O-CB 3.24Å; K330-S333 PolarHBondContact O-N 2.94Å; K330-S333 VanDerWaalsContact O-N 3.08Å; K330-S333 PolarHBondContact O-OG 3.24Å; K330-L334 PolarHBondContact O-N 2.99Å
331	I	97.8	Very high	93.2	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-52.6	-49.8	174.3	-74.7	170.8	0	0	0	110.7	H285 A310 A314 L327 Y328 S333 L334 Y366	H285-I331 HydrophobicContact CB-CG2 3.93Å; A310-I331 HydrophobicContact CB-CG2 4.24Å; A314-I331 HydrophobicContact CB-CB 4.47Å; A314-I331 HydrophobicContact CB-CD1 4.49Å; A314-I331 HydrophobicContact CB-CG1 3.48Å; A314-I331 VanDerWaalsContact CB-CG1 3.48Å; L327-I331 HydrophobicContact CD1-CD1 3.93Å; L327-I331 HydrophobicContact CD1-CG1 4.27Å; L327-I331 HydrophobicContact CG-CD1 3.87Å; L327-I331 WeakPolarHBondContact O-CB 3.46Å; L327-I331 VanDerWaalsContact O-CG1 3.31Å; L327-I331 WeakPolarHBondContact O-CG1 3.38Å; L327-I331 PolarHBondContact O-N 2.89Å; Y328-I331 HydrophobicContact CD1-CD1 4.34Å; I331-S333 VanDerWaalsContact C-N 3.28Å; I331-S333 PolarHBondContact O-N 3.36Å; I331-L334 PolarHBondContact O-N 3.23Å; I331-Y366 HydrophobicContact CD1-CD1 3.96Å; I331-Y366 HydrophobicContact CD1-CD2 4.4Å; I331-Y366 HydrophobicContact CD1-CE1 3.67Å; I331-Y366 HydrophobicContact CD1-CE2 4.14Å; I331-Y366 HydrophobicContact CD1-CG 4.33Å; I331-Y366 HydrophobicContact CG2-CE1 4.47Å; I331-Y366 HydrophobicContact CG2-CE2 4.02Å; I331-Y366 WeakPolarHBondContact CG2-OH 3.23Å
332	S	95.4	Very high	92.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-36.5	-179.6	-70.9	0	0	0	0	112.3	Y328 E329 K330 L334 S335 Y336 F362	Y328-S332 WeakPolarHBondContact O-CB 3.49Å; Y328-S332 PolarHBondContact O-N 2.89Å; Y328-S332 PolarHBondContact O-OG 3.43Å; E329-S332 PolarHBondContact O-N 3.46Å; K330-S332 VanDerWaalsContact C-N 3.3Å; K330-S332 PolarHBondContact O-N 2.89Å; S332-L334 VanDerWaalsContact C-N 3.34Å; S332-L334 PolarHBondContact O-N 3.49Å; S332-S335 PolarHBondContact O-OG 3.46Å; S332-Y336 WeakPolarHBondContact O-CD2 3.36Å; S332-F362 WeakPolarHBondContact OG-CE1 3.18Å; S332-F362 WeakPolarHBondContact OG-CZ 3.31Å
333	S	95.6	Very high	90.9	Very high	19 Å²	19	36 Å²	36	13%	0.133	17%	0.167	C	C	.	.	H	α-helix	trans	-66.7	-30	-178.1	80.9	0	0	0	0	113.5	E329 K330 I331 S335 Y336 I337	E329-S333 VanDerWaalsContact O-CB 3.3Å; E329-S333 WeakPolarHBondContact O-CB 3.38Å; E329-S333 PolarHBondContact O-N 2.81Å; K330-S333 WeakPolarHBondContact O-CB 3.24Å; K330-S333 PolarHBondContact O-N 2.94Å; K330-S333 VanDerWaalsContact O-N 3.08Å; K330-S333 PolarHBondContact O-OG 3.24Å; I331-S333 VanDerWaalsContact C-N 3.28Å; I331-S333 PolarHBondContact O-N 3.36Å; S333-S335 PolarHBondContact O-N 3.46Å; S333-Y336 WeakPolarHBondContact O-CA 3.49Å; S333-Y336 WeakPolarHBondContact O-CB 3.48Å; S333-Y336 PolarHBondContact O-N 2.89Å; S333-I337 WeakPolarHBondContact O-CG1 3.36Å; S333-I337 PolarHBondContact O-N 3.21Å; S333-I337 VanDerWaalsContact O-N 3.08Å
334	L	96.7	Very high	89.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-49.7	-42.7	-178.4	-61.1	-179.7	0	0	0	112.3	W275 M278 A310 A313 L317 K330 I331 S332 Y336 I337 I445	W275-L334 HydrophobicContact CH2-CD1 3.97Å; M278-L334 HydrophobicContact CE-CB 4.07Å; A310-L334 HydrophobicContact CB-CD1 4.43Å; A313-L334 HydrophobicContact CB-CD1 3.93Å; L317-L334 HydrophobicContact CD1-CD2 3.66Å; K330-L334 PolarHBondContact O-N 2.99Å; I331-L334 PolarHBondContact O-N 3.23Å; S332-L334 VanDerWaalsContact C-N 3.34Å; S332-L334 PolarHBondContact O-N 3.49Å; L334-Y336 PolarHBondContact O-N 2.81Å; L334-I337 HydrophobicContact CD2-CD1 4.42Å; L334-I445 HydrophobicContact CD2-CD1 4.17Å
335	S	92	Very high	87.9	Confident	14 Å²	14	38.6 Å²	38.6	10%	0.098	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.7	179.2	67.4	0	0	0	0	115.6	G282 K286 S332 S333 V449	G282-S335 VanDerWaalsContact CA-CB 3.5Å; K286-S335 PolarHBondContact NZ-OG 3.15Å; S332-S335 PolarHBondContact O-OG 3.46Å; S333-S335 PolarHBondContact O-N 3.46Å; S335-V449 WeakPolarHBondContact O-CG1 3.36Å
336	Y	90.4	Very high	86.8	Confident	30 Å²	30	34.6 Å²	34.6	12%	0.118	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-23.4	-174.1	-69.1	-62.6	0	0	0	113.9	S332 S333 L334 G338 D339 M342 K350 I351	S332-Y336 WeakPolarHBondContact O-CD2 3.36Å; S333-Y336 WeakPolarHBondContact O-CA 3.49Å; S333-Y336 WeakPolarHBondContact O-CB 3.48Å; S333-Y336 PolarHBondContact O-N 2.89Å; L334-Y336 PolarHBondContact O-N 2.81Å; Y336-G338 PolarHBondContact O-N 2.94Å; Y336-G338 VanDerWaalsContact O-N 3.1Å; Y336-D339 WeakPolarHBondContact O-CB 3.16Å; Y336-D339 PolarHBondContact O-N 3.12Å; Y336-M342 HydrophobicContact CD1-CG 3.87Å; Y336-M342 HydrophobicContact CD1-SD 3.42Å; Y336-M342 WeakPolarHBondContact CD1-SD 3.41Å; Y336-M342 HydrophobicContact CE1-SD 4.04Å; Y336-M342 HydrophobicContact CG-CG 4.26Å; Y336-M342 HydrophobicContact CG-SD 3.95Å; Y336-K350 VanDerWaalsContact OH-CE 3.24Å; Y336-K350 WeakPolarHBondContact OH-CE 3.35Å; Y336-K350 PolarHBondContact OH-NZ 3.25Å; Y336-I351 HydrophobicContact CD2-CD1 3.77Å; Y336-I351 HydrophobicContact CD2-CG1 3.62Å; Y336-I351 HydrophobicContact CE2-CG1 3.93Å; Y336-I351 HydrophobicContact CG-CD1 4.26Å; Y336-I351 HydrophobicContact CG-CG1 4.42Å
337	I	89	Confident	85.6	Confident	32 Å²	32	30.7 Å²	30.7	16%	0.164	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.4	-173.3	-71.4	165.8	0	0	0	113.5	S333 L334 E442 R446	S333-I337 WeakPolarHBondContact O-CG1 3.36Å; S333-I337 PolarHBondContact O-N 3.21Å; S333-I337 VanDerWaalsContact O-N 3.08Å; L334-I337 HydrophobicContact CD2-CD1 4.42Å; I337-E442 HydrophobicContact CD1-CG 3.95Å; I337-E442 HydrophobicContact CG2-CG 3.89Å; I337-E442 WeakPolarHBondContact CG2-OE1 3.43Å; I337-R446 HydrophobicContact CG2-CB 3.89Å; I337-R446 HydrophobicContact CG2-CG 4Å
338	G	85.7	Confident	84.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	6.2	176.9	0	0	0	0	0	114.7	Y336 P340 F450	Y336-G338 PolarHBondContact O-N 2.94Å; Y336-G338 VanDerWaalsContact O-N 3.1Å; G338-P340 WeakPolarHBondContact O-CD 3.45Å; G338-F450 WeakPolarHBondContact O-CA 3.3Å; G338-F450 VanDerWaalsContact O-CB 3.3Å; G338-F450 WeakPolarHBondContact O-CB 3.38Å; G338-F450 WeakPolarHBondContact O-CD2 3.4Å; G338-F450 PolarHBondContact O-N 2.89Å
339	D	86.6	Confident	83.7	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.011	20%	0.196	C	C	.	.			trans	-81.9	114.1	-172.4	-174.6	-4.7	0	0	0	110.7	Y336 R341 M342 V449	Y336-D339 WeakPolarHBondContact O-CB 3.16Å; Y336-D339 PolarHBondContact O-N 3.12Å; D339-R341 PolarHBondContact O-N 3.18Å; D339-R341 VanDerWaalsContact OD1-CB 3.31Å; D339-R341 WeakPolarHBondContact OD1-CB 3.4Å; D339-R341 WeakPolarHBondContact OD1-CG 3.44Å; D339-R341 IonicContact OD1-CZ 3.39Å; D339-R341 PolarHBondContact OD1-N 2.84Å; D339-R341 VanDerWaalsContact OD1-N 3.08Å; D339-R341 IonicContact OD1-NE 3.11Å; D339-R341 PolarHBondContact OD1-NE 3.22Å; D339-R341 IonicContact OD1-NH2 3.03Å; D339-R341 IonicContact OD2-CZ 3.48Å; D339-R341 IonicContact OD2-NE 2.59Å; D339-R341 PolarHBondContact OD2-NE 3.45Å; D339-R341 IonicContact OD2-NH2 3.02Å; D339-R341 PolarHBondContact OD2-NH2 2.91Å; D339-M342 HydrophobicContact CB-CG 4.14Å; D339-M342 WeakPolarHBondContact O-CB 3.5Å; D339-M342 PolarHBondContact O-N 2.99Å; D339-V449 HydrophobicContact CB-CG1 4.12Å
340	P	82	Confident	83.2	Confident	18 Å²	18	41.6 Å²	41.6	12%	0.117	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-18.8	-178.3	25.7	-35.2	0	0	0	112.9	G338 M342 W343 L344	G338-P340 WeakPolarHBondContact O-CD 3.45Å; P340-M342 PolarHBondContact O-N 3.01Å; P340-W343 HydrophobicContact CB-CE3 4.36Å; P340-W343 PolarHBondContact O-N 2.92Å; P340-L344 PolarHBondContact O-N 3.17Å
341	R	77.8	Confident	82.9	Confident	48 Å²	48	40.4 Å²	40.4	18%	0.181	18%	0.183	C	C	.	.	H	α-helix	trans	-64.8	-29.2	174.7	-63.5	172.5	-72.1	169	-2.5	112.3	D339 W343 A345 E346	D339-R341 PolarHBondContact O-N 3.18Å; D339-R341 VanDerWaalsContact OD1-CB 3.31Å; D339-R341 WeakPolarHBondContact OD1-CB 3.4Å; D339-R341 WeakPolarHBondContact OD1-CG 3.44Å; D339-R341 IonicContact OD1-CZ 3.39Å; D339-R341 PolarHBondContact OD1-N 2.84Å; D339-R341 VanDerWaalsContact OD1-N 3.08Å; D339-R341 IonicContact OD1-NE 3.11Å; D339-R341 PolarHBondContact OD1-NE 3.22Å; D339-R341 IonicContact OD1-NH2 3.03Å; D339-R341 IonicContact OD2-CZ 3.48Å; D339-R341 IonicContact OD2-NE 2.59Å; D339-R341 PolarHBondContact OD2-NE 3.45Å; D339-R341 IonicContact OD2-NH2 3.02Å; D339-R341 PolarHBondContact OD2-NH2 2.91Å; R341-W343 VanDerWaalsContact C-N 3.27Å; R341-W343 PolarHBondContact O-N 3.47Å; R341-A345 CarbonylContact O-C 3.58Å; R341-A345 PolarHBondContact O-N 3.43Å; R341-E346 WeakPolarHBondContact O-CB 3.41Å; R341-E346 PolarHBondContact O-N 3.41Å; R341-E346 VanDerWaalsContact O-N 3.15Å
342	M	77.9	Confident	82.6	Confident	44 Å²	44	46.3 Å²	46.3	22%	0.217	21%	0.205	C	C	.	.	H	α-helix	trans	-69.3	-27.4	176.4	-64.9	-59.5	-61.4	0	0	112.4	Y336 D339 P340 E346	Y336-M342 HydrophobicContact CD1-CG 3.87Å; Y336-M342 HydrophobicContact CD1-SD 3.42Å; Y336-M342 WeakPolarHBondContact CD1-SD 3.41Å; Y336-M342 HydrophobicContact CE1-SD 4.04Å; Y336-M342 HydrophobicContact CG-CG 4.26Å; Y336-M342 HydrophobicContact CG-SD 3.95Å; D339-M342 HydrophobicContact CB-CG 4.14Å; D339-M342 WeakPolarHBondContact O-CB 3.5Å; D339-M342 PolarHBondContact O-N 2.99Å; P340-M342 PolarHBondContact O-N 3.01Å; M342-E346 HydrophobicContact SD-CB 3.78Å; M342-E346 HydrophobicContact SD-CG 3.76Å
343	W	69.2	Low	82.3	Confident	163 Å²	163	47.5 Å²	47.5	62%	0.617	21%	0.212	S	C	*	.	H	α-helix	trans	-83.7	-33.8	177.5	-55.1	-27.2	0	0	0	112.6	P340 R341 F450	P340-W343 HydrophobicContact CB-CE3 4.36Å; P340-W343 PolarHBondContact O-N 2.92Å; R341-W343 VanDerWaalsContact C-N 3.27Å; R341-W343 PolarHBondContact O-N 3.47Å; W343-F450 HydrophobicContact CH2-CD2 4.28Å; W343-F450 HydrophobicContact CH2-CE2 4.39Å; W343-F450 HydrophobicContact CZ3-CD2 4.31Å; W343-F450 HydrophobicContact CZ3-CE2 4.04Å
344	L	63.3	Low	82.1	Confident	129 Å²	129	47 Å²	47	68%	0.675	21%	0.208	S	C	*	.	H	α-helix	trans	-103	-29	-170.1	-67.3	173.5	0	0	0	115.4	P340 M480	P340-L344 PolarHBondContact O-N 3.17Å; L344-M480 VanDerWaalsContact O-SD 3.37Å
345	A	64.8	Low	82	Confident	15 Å²	15	47 Å²	47	12%	0.124	21%	0.208	C	C	.	.	S	Bend	trans	-158.8	20.1	-162.8	0	0	0	0	0	116.7	R341 K476 V477	R341-A345 CarbonylContact O-C 3.58Å; R341-A345 PolarHBondContact O-N 3.43Å; A345-K476 HydrophobicContact CB-CB 3.72Å; A345-K476 CarbonylContact O-C 3.44Å; A345-V477 HydrophobicContact CB-CG2 4.29Å
346	E	73.6	Confident	82	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.028	22%	0.223	C	C	.	.	S	Bend	trans	-124.6	154.6	-179	-155.7	73.6	-132.1	0	0	112.3	R341 M342 K350 K476 K479	R341-E346 WeakPolarHBondContact O-CB 3.41Å; R341-E346 PolarHBondContact O-N 3.41Å; R341-E346 VanDerWaalsContact O-N 3.15Å; M342-E346 HydrophobicContact SD-CB 3.78Å; M342-E346 HydrophobicContact SD-CG 3.76Å; E346-K350 HydrophobicContact CG-CD 3.31Å; E346-K350 VanDerWaalsContact OE1-CD 3.25Å; E346-K350 WeakPolarHBondContact OE1-CD 3.33Å; E346-K350 WeakPolarHBondContact OE1-CE 3.49Å; E346-K350 IonicContact OE1-NZ 2.77Å; E346-K350 PolarHBondContact OE1-NZ 3.23Å; E346-K350 IonicContact OE2-NZ 2.65Å; E346-K350 PolarHBondContact OE2-NZ 3.41Å; E346-K476 IonicContact OE1-NZ 3.55Å; E346-K476 PolarHBondContact OE1-NZ 2.64Å; E346-K476 IonicContact OE2-NZ 3.36Å; E346-K476 PolarHBondContact OE2-NZ 3.19Å; E346-K479 IonicContact OE1-NZ 3.9Å; E346-K479 PolarHBondContact OE1-NZ 3.03Å
347	D	72.2	Confident	81.9	Confident	10 Å²	10	51.1 Å²	51.1	5%	0.053	23%	0.231	C	C	.	.			trans	-66.7	127.9	178.6	166.1	13.2	0	0	0	111	F349 K350 N353	D347-F349 VanDerWaalsContact C-N 3.27Å; D347-F349 PolarHBondContact O-N 2.85Å; D347-F349 PolarHBondContact OD1-N 3.09Å; D347-K350 HydrophobicContact CB-CB 4.06Å; D347-K350 WeakPolarHBondContact O-CB 3.3Å; D347-K350 PolarHBondContact O-N 2.92Å; D347-K350 VanDerWaalsContact O-N 3.09Å; D347-N353 PolarHBondContact OD2-ND2 3.04Å
348	R	71.8	Confident	82	Confident	179 Å²	179	50.5 Å²	50.5	68%	0.675	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-31.8	-179.1	-69.4	-170	177.2	-138.5	-2.9	113	K350 Y484	R348-K350 VanDerWaalsContact C-N 3.32Å; R348-Y484 PolarHBondContact NE-OH 3.38Å; R348-Y484 PolarHBondContact NH2-OH 2.86Å
349	F	82.4	Confident	82.3	Confident	90 Å²	90	51.9 Å²	51.9	40%	0.395	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	5.6	178.3	-58.8	-70.6	0	0	0	112.6	D347 I351 R352 N353	D347-F349 VanDerWaalsContact C-N 3.27Å; D347-F349 PolarHBondContact O-N 2.85Å; D347-F349 PolarHBondContact OD1-N 3.09Å; F349-I351 VanDerWaalsContact C-N 3.28Å; F349-I351 PolarHBondContact O-N 3.41Å; F349-R352 PolarHBondContact O-N 2.85Å; F349-N353 VanDerWaalsContact O-CB 3.32Å; F349-N353 WeakPolarHBondContact O-CB 3.42Å; F349-N353 PolarHBondContact O-N 2.95Å; F349-N353 PolarHBondContact O-ND2 3.32Å
350	K	86.1	Confident	82.6	Confident	19 Å²	19	57.5 Å²	57.5	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-53.4	-42.9	-173.2	176.8	175	175.4	-169.3	0	113.4	Y336 E346 D347 R348 N353 I354	Y336-K350 VanDerWaalsContact OH-CE 3.24Å; Y336-K350 WeakPolarHBondContact OH-CE 3.35Å; Y336-K350 PolarHBondContact OH-NZ 3.25Å; E346-K350 HydrophobicContact CG-CD 3.31Å; E346-K350 VanDerWaalsContact OE1-CD 3.25Å; E346-K350 WeakPolarHBondContact OE1-CD 3.33Å; E346-K350 WeakPolarHBondContact OE1-CE 3.49Å; E346-K350 IonicContact OE1-NZ 2.77Å; E346-K350 PolarHBondContact OE1-NZ 3.23Å; E346-K350 IonicContact OE2-NZ 2.65Å; E346-K350 PolarHBondContact OE2-NZ 3.41Å; D347-K350 HydrophobicContact CB-CB 4.06Å; D347-K350 WeakPolarHBondContact O-CB 3.3Å; D347-K350 PolarHBondContact O-N 2.92Å; D347-K350 VanDerWaalsContact O-N 3.09Å; R348-K350 VanDerWaalsContact C-N 3.32Å; K350-N353 PolarHBondContact O-N 2.99Å; K350-I354 HydrophobicContact CG-CD1 3.8Å; K350-I354 HydrophobicContact CG-CG1 4.5Å; K350-I354 WeakPolarHBondContact O-CD1 3.34Å; K350-I354 WeakPolarHBondContact O-CG1 3.4Å; K350-I354 PolarHBondContact O-N 2.85Å
351	I	90.3	Very high	83.1	Confident	30 Å²	30	57.7 Å²	57.7	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-56.8	-177.1	-67.3	163.7	0	0	0	109.4	E329 Y336 F349 N353 I354 V355	E329-I351 HydrophobicContact CB-CG2 4.19Å; E329-I351 HydrophobicContact CG-CG2 4.38Å; E329-I351 WeakPolarHBondContact O-CG2 3.34Å; Y336-I351 HydrophobicContact CD2-CD1 3.77Å; Y336-I351 HydrophobicContact CD2-CG1 3.62Å; Y336-I351 HydrophobicContact CE2-CG1 3.93Å; Y336-I351 HydrophobicContact CG-CD1 4.26Å; Y336-I351 HydrophobicContact CG-CG1 4.42Å; F349-I351 VanDerWaalsContact C-N 3.28Å; F349-I351 PolarHBondContact O-N 3.41Å; I351-N353 VanDerWaalsContact C-N 3.3Å; I351-N353 PolarHBondContact O-N 2.89Å; I351-I354 WeakPolarHBondContact O-CB 3.46Å; I351-I354 PolarHBondContact O-N 3.31Å; I351-I354 VanDerWaalsContact O-N 3.07Å; I351-V355 PolarHBondContact O-N 2.98Å
352	R	91.1	Very high	83.9	Confident	124 Å²	124	55.4 Å²	55.4	47%	0.468	26%	0.259	S	S	.	.	H	α-helix	trans	-53.2	-44	174.2	174.4	173.6	141	-176.4	-4.5	112.8	E329 F349 I354 V355 K356	E329-R352 WeakPolarHBondContact OE1-CA 3.49Å; E329-R352 VanDerWaalsContact OE1-CB 3.31Å; E329-R352 WeakPolarHBondContact OE1-CB 3.29Å; E329-R352 VanDerWaalsContact OE1-CG 3.28Å; E329-R352 WeakPolarHBondContact OE1-CG 3.31Å; F349-R352 PolarHBondContact O-N 2.85Å; R352-I354 VanDerWaalsContact C-N 3.3Å; R352-I354 PolarHBondContact O-N 3.44Å; R352-V355 PolarHBondContact O-N 3.16Å; R352-K356 VanDerWaalsContact O-CB 3.22Å; R352-K356 WeakPolarHBondContact O-CB 3.18Å; R352-K356 PolarHBondContact O-N 2.88Å
353	N	90.5	Very high	84.6	Confident	25 Å²	25	55.2 Å²	55.2	13%	0.134	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-31	179.5	-71.3	-19.7	0	0	0	113.3	W190 D347 F349 K350 I351 A357	W190-N353 HydrophobicContact CB-CB 4.37Å; W190-N353 PolarHBondContact N-O 3.48Å; D347-N353 PolarHBondContact OD2-ND2 3.04Å; F349-N353 VanDerWaalsContact O-CB 3.32Å; F349-N353 WeakPolarHBondContact O-CB 3.42Å; F349-N353 PolarHBondContact O-N 2.95Å; F349-N353 PolarHBondContact O-ND2 3.32Å; K350-N353 PolarHBondContact O-N 2.99Å; I351-N353 VanDerWaalsContact C-N 3.3Å; I351-N353 PolarHBondContact O-N 2.89Å; N353-A357 WeakPolarHBondContact O-CB 3.29Å
354	I	91.2	Very high	85.7	Confident	9 Å²	9	53.8 Å²	53.8	5%	0.046	26%	0.26	C	S	.	.	H	α-helix	trans	-72.5	-48.7	173.3	-71.4	163.9	0	0	0	109.6	Q189 K286 K350 I351 R352 N358 F362	Q189-I354 HydrophobicContact CG-CG1 3.98Å; K286-I354 HydrophobicContact CD-CG2 4.38Å; K350-I354 HydrophobicContact CG-CD1 3.8Å; K350-I354 HydrophobicContact CG-CG1 4.5Å; K350-I354 WeakPolarHBondContact O-CD1 3.34Å; K350-I354 WeakPolarHBondContact O-CG1 3.4Å; K350-I354 PolarHBondContact O-N 2.85Å; I351-I354 WeakPolarHBondContact O-CB 3.46Å; I351-I354 PolarHBondContact O-N 3.31Å; I351-I354 VanDerWaalsContact O-N 3.07Å; R352-I354 VanDerWaalsContact C-N 3.3Å; R352-I354 PolarHBondContact O-N 3.44Å; I354-N358 PolarHBondContact O-N 3.26Å; I354-N358 PolarHBondContact O-ND2 3.38Å; I354-F362 HydrophobicContact CG2-CE2 4.17Å; I354-F362 HydrophobicContact CG2-CZ 4.23Å
355	V	93.2	Very high	87.2	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-53.8	-175.7	172.8	0	0	0	0	110.8	E329 I351 R352 A357 N358 V359 F362	E329-V355 HydrophobicContact CG-CB 3.92Å; E329-V355 HydrophobicContact CG-CG1 4.02Å; E329-V355 HydrophobicContact CG-CG2 3.89Å; I351-V355 PolarHBondContact O-N 2.98Å; R352-V355 PolarHBondContact O-N 3.16Å; V355-A357 PolarHBondContact O-N 2.9Å; V355-A357 VanDerWaalsContact O-N 3.09Å; V355-N358 CarbonylContact O-C 3.49Å; V355-N358 PolarHBondContact O-N 2.81Å; V355-V359 HydrophobicContact CG1-CG2 4.48Å; V355-V359 VanDerWaalsContact O-CG2 3.26Å; V355-V359 WeakPolarHBondContact O-CG2 3.41Å; V355-V359 PolarHBondContact O-N 3.47Å; V355-F362 HydrophobicContact CG2-CE2 4.11Å; V355-F362 HydrophobicContact CG2-CZ 4.07Å
356	K	91.9	Very high	88.6	Confident	94 Å²	94	47 Å²	47	41%	0.409	22%	0.223	S	C	.	.	H	α-helix	trans	-54.5	-34.7	-179.1	-174.6	170.4	-176.5	168.7	0	113.4	W190 R352 N358	W190-K356 HydrophobicContact CD2-CD 4.38Å; W190-K356 HydrophobicContact CG-CD 4.45Å; R352-K356 VanDerWaalsContact O-CB 3.22Å; R352-K356 WeakPolarHBondContact O-CB 3.18Å; R352-K356 PolarHBondContact O-N 2.88Å; K356-N358 VanDerWaalsContact C-N 3.34Å
357	A	89.1	Confident	89.5	Confident	35 Å²	35	50 Å²	50	29%	0.289	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.4	179.2	0	0	0	0	0	114.2	K188 W190 N353 V355	K188-A357 WeakPolarHBondContact O-CB 3.4Å; W190-A357 HydrophobicContact CB-CB 4.39Å; N353-A357 WeakPolarHBondContact O-CB 3.29Å; V355-A357 PolarHBondContact O-N 2.9Å; V355-A357 VanDerWaalsContact O-N 3.09Å
358	N	91	Very high	90.4	Very high	20 Å²	20	51.7 Å²	51.7	11%	0.107	26%	0.256	C	S	.	.			trans	-139.5	23.1	-171.4	-57.3	-89.7	0	0	0	113.4	I187 K188 I354 V355 K356 D360 S361 F362	I187-N358 HydrophobicContact CG2-CB 4.48Å; I187-N358 VanDerWaalsContact CG2-CG 3.45Å; I187-N358 WeakPolarHBondContact CG2-ND2 3.43Å; I187-N358 WeakPolarHBondContact CG2-OD1 3.48Å; K188-N358 PolarHBondContact O-ND2 3.38Å; I354-N358 PolarHBondContact O-N 3.26Å; I354-N358 PolarHBondContact O-ND2 3.38Å; V355-N358 CarbonylContact O-C 3.49Å; V355-N358 PolarHBondContact O-N 2.81Å; K356-N358 VanDerWaalsContact C-N 3.34Å; N358-D360 VanDerWaalsContact C-N 3.27Å; N358-D360 PolarHBondContact O-N 2.98Å; N358-S361 WeakPolarHBondContact O-CA 3.36Å; N358-S361 WeakPolarHBondContact O-CB 3.47Å; N358-S361 PolarHBondContact O-N 3.11Å; N358-F362 HydrophobicContact CB-CD2 4.15Å; N358-F362 HydrophobicContact CB-CE2 4.22Å; N358-F362 WeakPolarHBondContact O-CD2 3.44Å; N358-F362 PolarHBondContact O-N 2.8Å
359	V	92.4	Very high	91.3	Very high	29 Å²	29	43.1 Å²	43.1	18%	0.176	22%	0.224	C	C	.	.	H	α-helix	trans	-49.2	-48.2	-177.7	179.7	0	0	0	0	111.1	E325 Y328 V355 S361 F362 S363	E325-V359 HydrophobicContact CG-CG1 4.48Å; E325-V359 HydrophobicContact CG-CG2 4.19Å; Y328-V359 HydrophobicContact CE2-CG1 4.37Å; V355-V359 HydrophobicContact CG1-CG2 4.48Å; V355-V359 VanDerWaalsContact O-CG2 3.26Å; V355-V359 WeakPolarHBondContact O-CG2 3.41Å; V355-V359 PolarHBondContact O-N 3.47Å; V359-S361 VanDerWaalsContact C-N 3.26Å; V359-S361 PolarHBondContact O-N 3.24Å; V359-F362 WeakPolarHBondContact O-CB 3.2Å; V359-F362 PolarHBondContact O-N 3.27Å; V359-F362 VanDerWaalsContact O-N 3.09Å; V359-S363 WeakPolarHBondContact O-CB 3.47Å; V359-S363 PolarHBondContact O-N 2.94Å
360	D	91.9	Very high	91.8	Very high	120 Å²	120	39.5 Å²	39.5	64%	0.642	21%	0.208	S	C	*	.	H	α-helix	trans	-58.1	-35.7	177.2	-61.2	-22.3	0	0	0	113.9	N358 K364	N358-D360 VanDerWaalsContact C-N 3.27Å; N358-D360 PolarHBondContact O-N 2.98Å; D360-K364 WeakPolarHBondContact O-CB 3.38Å; D360-K364 VanDerWaalsContact O-CG 3.27Å; D360-K364 WeakPolarHBondContact O-CG 3.47Å; D360-K364 PolarHBondContact O-N 3.16Å
361	S	92.5	Very high	91.9	Very high	21 Å²	21	45 Å²	45	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-75.3	-35.1	179.3	-62	0	0	0	0	111.5	N358 V359 L365	N358-S361 WeakPolarHBondContact O-CA 3.36Å; N358-S361 WeakPolarHBondContact O-CB 3.47Å; N358-S361 PolarHBondContact O-N 3.11Å; V359-S361 VanDerWaalsContact C-N 3.26Å; V359-S361 PolarHBondContact O-N 3.24Å; S361-L365 VanDerWaalsContact O-CB 3.24Å; S361-L365 WeakPolarHBondContact O-CB 3.24Å; S361-L365 PolarHBondContact O-N 3.35Å; S361-L365 VanDerWaalsContact O-N 3.11Å
362	F	94.8	Very high	91.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-44.1	170.3	-81.4	-88.4	0	0	0	111.1	K286 P287 Y328 S332 I354 V355 N358 V359 K364 L365 Y366	K286-F362 HydrophobicContact CB-CE1 4.37Å; K286-F362 HydrophobicContact CB-CZ 4.15Å; K286-F362 HydrophobicContact CG-CE1 4.06Å; K286-F362 HydrophobicContact CG-CZ 3.85Å; P287-F362 HydrophobicContact CG-CD1 4.45Å; P287-F362 HydrophobicContact CG-CD2 4.03Å; P287-F362 HydrophobicContact CG-CE2 4.19Å; P287-F362 HydrophobicContact CG-CG 4.17Å; P287-F362 HydrophobicContact CG-CZ 4.49Å; Y328-F362 HydrophobicContact CD1-CB 3.82Å; Y328-F362 HydrophobicContact CD1-CD1 4.05Å; Y328-F362 HydrophobicContact CD1-CG 4.28Å; Y328-F362 HydrophobicContact CD2-CB 3.37Å; Y328-F362 HydrophobicContact CD2-CG 4.07Å; Y328-F362 HydrophobicContact CE1-CB 4.03Å; Y328-F362 HydrophobicContact CE2-CB 3.55Å; Y328-F362 HydrophobicContact CG-CB 3.52Å; Y328-F362 AromaticContact CG-CD1 3.94Å; Y328-F362 HydrophobicContact CG-CD1 3.94Å; Y328-F362 AromaticContact CG-CG 3.87Å; Y328-F362 HydrophobicContact CG-CG 3.87Å; S332-F362 WeakPolarHBondContact OG-CE1 3.18Å; S332-F362 WeakPolarHBondContact OG-CZ 3.31Å; I354-F362 HydrophobicContact CG2-CE2 4.17Å; I354-F362 HydrophobicContact CG2-CZ 4.23Å; V355-F362 HydrophobicContact CG2-CE2 4.11Å; V355-F362 HydrophobicContact CG2-CZ 4.07Å; N358-F362 HydrophobicContact CB-CD2 4.15Å; N358-F362 HydrophobicContact CB-CE2 4.22Å; N358-F362 WeakPolarHBondContact O-CD2 3.44Å; N358-F362 PolarHBondContact O-N 2.8Å; V359-F362 WeakPolarHBondContact O-CB 3.2Å; V359-F362 PolarHBondContact O-N 3.27Å; V359-F362 VanDerWaalsContact O-N 3.09Å; F362-K364 PolarHBondContact O-N 3.4Å; F362-L365 WeakPolarHBondContact O-CA 3.3Å; F362-L365 WeakPolarHBondContact O-CB 3.23Å; F362-L365 PolarHBondContact O-N 3.05Å; F362-Y366 HydrophobicContact CD1-CD2 4.3Å; F362-Y366 HydrophobicContact CD1-CE2 4.17Å; F362-Y366 PolarHBondContact O-N 3.09Å
363	S	93.9	Very high	91.5	Very high	40 Å²	40	38.3 Å²	38.3	28%	0.28	21%	0.206	S	C	.	.	H	α-helix	trans	-58.1	-47.8	177.5	-166	0	0	0	0	112	E324 Y328 V359 L365 Y366 S367	E324-S363 WeakPolarHBondContact OE1-CB 3.26Å; E324-S363 PolarHBondContact OE1-OG 3.38Å; Y328-S363 VanDerWaalsContact OH-CA 3.24Å; Y328-S363 WeakPolarHBondContact OH-CA 3.47Å; V359-S363 WeakPolarHBondContact O-CB 3.47Å; V359-S363 PolarHBondContact O-N 2.94Å; S363-L365 VanDerWaalsContact C-N 3.31Å; S363-L365 PolarHBondContact O-N 3.11Å; S363-Y366 PolarHBondContact O-N 3.15Å; S363-S367 WeakPolarHBondContact O-CA 3.47Å; S363-S367 WeakPolarHBondContact O-CB 3.5Å; S363-S367 PolarHBondContact O-N 2.88Å
364	K	92.3	Very high	91.3	Very high	133 Å²	133	39.2 Å²	39.2	58%	0.578	21%	0.213	S	C	*	.	H	α-helix	trans	-60.9	-37.9	172.9	-72.8	169.3	-175.8	171.9	0	113.1	D360 F362	D360-K364 WeakPolarHBondContact O-CB 3.38Å; D360-K364 VanDerWaalsContact O-CG 3.27Å; D360-K364 WeakPolarHBondContact O-CG 3.47Å; D360-K364 PolarHBondContact O-N 3.16Å; F362-K364 PolarHBondContact O-N 3.4Å
365	L	93.8	Very high	90.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-69.3	-42.5	-179.2	179.8	57.9	0	0	0	112.4	P154 P287 L307 S361 F362 S363	P154-L365 HydrophobicContact CB-CD1 3.57Å; P154-L365 HydrophobicContact CG-CD1 4.05Å; P287-L365 HydrophobicContact CG-CD2 4.18Å; L307-L365 HydrophobicContact CD1-CD1 3.55Å; L307-L365 HydrophobicContact CD1-CG 4.18Å; L307-L365 HydrophobicContact CD2-CD1 4.05Å; L307-L365 HydrophobicContact CD2-CD2 4.06Å; L307-L365 HydrophobicContact CD2-CG 4.05Å; L307-L365 HydrophobicContact CG-CD1 4.48Å; S361-L365 VanDerWaalsContact O-CB 3.24Å; S361-L365 WeakPolarHBondContact O-CB 3.24Å; S361-L365 PolarHBondContact O-N 3.35Å; S361-L365 VanDerWaalsContact O-N 3.11Å; F362-L365 WeakPolarHBondContact O-CA 3.3Å; F362-L365 WeakPolarHBondContact O-CB 3.23Å; F362-L365 PolarHBondContact O-N 3.05Å; S363-L365 VanDerWaalsContact C-N 3.31Å; S363-L365 PolarHBondContact O-N 3.11Å
366	Y	94.7	Very high	90	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-98.8	-14.6	-172.2	-81.1	-81.4	0	0	0	114.1	H285 L307 C311 Y328 I331 F362 S363 P368 V369 L370	H285-Y366 WeakPolarHBondContact O-CE2 3.47Å; H285-Y366 PolarHBondContact O-OH 3.34Å; L307-Y366 HydrophobicContact CB-CE1 4.13Å; L307-Y366 HydrophobicContact CD2-CE1 4.36Å; L307-Y366 HydrophobicContact CD2-CE2 4.41Å; L307-Y366 WeakPolarHBondContact O-CE1 3.43Å; C311-Y366 HydrophobicContact CB-CD1 4.39Å; C311-Y366 HydrophobicContact CB-CE1 4.31Å; Y328-Y366 HydrophobicContact CD1-CD2 4.27Å; Y328-Y366 HydrophobicContact CE1-CD2 4.11Å; Y328-Y366 HydrophobicContact CE1-CG 4.19Å; I331-Y366 HydrophobicContact CD1-CD1 3.96Å; I331-Y366 HydrophobicContact CD1-CD2 4.4Å; I331-Y366 HydrophobicContact CD1-CE1 3.67Å; I331-Y366 HydrophobicContact CD1-CE2 4.14Å; I331-Y366 HydrophobicContact CD1-CG 4.33Å; I331-Y366 HydrophobicContact CG2-CE1 4.47Å; I331-Y366 HydrophobicContact CG2-CE2 4.02Å; I331-Y366 WeakPolarHBondContact CG2-OH 3.23Å; F362-Y366 HydrophobicContact CD1-CD2 4.3Å; F362-Y366 HydrophobicContact CD1-CE2 4.17Å; F362-Y366 PolarHBondContact O-N 3.09Å; S363-Y366 PolarHBondContact O-N 3.15Å; Y366-P368 VanDerWaalsContact C-CD 3.48Å; Y366-P368 VanDerWaalsContact C-N 3.32Å; Y366-V369 HydrophobicContact CD1-CB 4.24Å; Y366-V369 HydrophobicContact CD1-CG1 4.48Å; Y366-V369 HydrophobicContact CD1-CG2 4.35Å; Y366-V369 CarbonylContact O-C 3.48Å; Y366-V369 WeakPolarHBondContact O-CA 3.42Å; Y366-V369 WeakPolarHBondContact O-CB 3.23Å; Y366-V369 PolarHBondContact O-N 2.92Å; Y366-L370 WeakPolarHBondContact O-CB 3.33Å; Y366-L370 WeakPolarHBondContact O-CG 3.14Å; Y366-L370 PolarHBondContact O-N 3.36Å
367	S	92.7	Very high	89.5	Confident	70 Å²	70	43.5 Å²	43.5	49%	0.49	24%	0.235	S	C	.	.	H	α-helix	trans	-48.8	-45.4	177.4	168.6	0	0	0	0	113.6	S363 V369 L370 K371	S363-S367 WeakPolarHBondContact O-CA 3.47Å; S363-S367 WeakPolarHBondContact O-CB 3.5Å; S363-S367 PolarHBondContact O-N 2.88Å; S367-V369 PolarHBondContact O-N 3.25Å; S367-L370 PolarHBondContact O-N 3.39Å; S367-K371 PolarHBondContact O-N 3.26Å
368	P	90	Very high	89	Confident	45 Å²	45	44 Å²	44	29%	0.292	24%	0.244	S	C	.	.	H	α-helix	trans	-66.2	-36	176.7	-21	34.1	0	0	0	113.3	L148 V152 Y366 V372	L148-P368 HydrophobicContact CD2-CB 3.74Å; L148-P368 WeakPolarHBondContact CD2-O 3.26Å; V152-P368 HydrophobicContact CG1-CG 4.17Å; V152-P368 HydrophobicContact CG2-CB 3.5Å; V152-P368 VanDerWaalsContact CG2-CB 3.5Å; V152-P368 HydrophobicContact CG2-CG 3.66Å; Y366-P368 VanDerWaalsContact C-CD 3.48Å; Y366-P368 VanDerWaalsContact C-N 3.32Å; P368-V372 PolarHBondContact O-N 3.45Å
369	V	91.8	Very high	89	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-44.2	178.6	179.1	0	0	0	0	110.2	L148 L307 E308 C311 Y366 S367 K371 V372 A373	L148-V369 HydrophobicContact CD1-CG2 3.86Å; L148-V369 HydrophobicContact CD2-CG2 4.43Å; L148-V369 HydrophobicContact CG-CG2 4.49Å; L307-V369 HydrophobicContact CB-CG2 3.84Å; E308-V369 HydrophobicContact CG-CG1 4.29Å; E308-V369 HydrophobicContact CG-CG2 4.49Å; C311-V369 HydrophobicContact CB-CG1 3.6Å; Y366-V369 HydrophobicContact CD1-CB 4.24Å; Y366-V369 HydrophobicContact CD1-CG1 4.48Å; Y366-V369 HydrophobicContact CD1-CG2 4.35Å; Y366-V369 CarbonylContact O-C 3.48Å; Y366-V369 WeakPolarHBondContact O-CA 3.42Å; Y366-V369 WeakPolarHBondContact O-CB 3.23Å; Y366-V369 PolarHBondContact O-N 2.92Å; S367-V369 PolarHBondContact O-N 3.25Å; V369-K371 VanDerWaalsContact C-N 3.33Å; V369-K371 PolarHBondContact O-N 3.14Å; V369-V372 PolarHBondContact O-N 3.06Å; V369-A373 PolarHBondContact O-N 2.87Å
370	L	92.6	Very high	89	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.073	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-39.4	178.5	-75.9	170.5	0	0	0	111.6	L327 Y366 S367 V372 A373 T374 L379 F386	L327-L370 HydrophobicContact CD2-CD1 4.24Å; L327-L370 HydrophobicContact CD2-CD2 3.74Å; L327-L370 HydrophobicContact CD2-CG 4.47Å; Y366-L370 WeakPolarHBondContact O-CB 3.33Å; Y366-L370 WeakPolarHBondContact O-CG 3.14Å; Y366-L370 PolarHBondContact O-N 3.36Å; S367-L370 PolarHBondContact O-N 3.39Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 PolarHBondContact O-N 3.09Å; L370-A373 PolarHBondContact O-N 3.21Å; L370-T374 VanDerWaalsContact O-CG2 3.3Å; L370-T374 WeakPolarHBondContact O-CG2 3.26Å; L370-T374 PolarHBondContact O-N 2.77Å; L370-T374 PolarHBondContact O-OG1 3.28Å; L370-L379 HydrophobicContact CD2-CD2 3.87Å; L370-F386 HydrophobicContact CD1-CE1 4.37Å; L370-F386 HydrophobicContact CD1-CZ 3.89Å; L370-F386 HydrophobicContact CD2-CE1 4.13Å; L370-F386 HydrophobicContact CD2-CZ 4.28Å
371	K	89.1	Confident	89	Confident	133 Å²	133	43.7 Å²	43.7	58%	0.578	25%	0.246	S	C	*	.	H	α-helix	trans	-56.3	-47.8	172.6	-175.2	178.3	178.6	179	0	111.7	S367 V369 T374 E375	S367-K371 PolarHBondContact O-N 3.26Å; V369-K371 VanDerWaalsContact C-N 3.33Å; V369-K371 PolarHBondContact O-N 3.14Å; K371-T374 PolarHBondContact O-N 2.97Å; K371-T374 PolarHBondContact O-OG1 2.79Å; K371-E375 WeakPolarHBondContact CE-OE1 3.42Å; K371-E375 WeakPolarHBondContact O-CG 3.44Å; K371-E375 PolarHBondContact O-N 2.84Å
372	V	84.3	Confident	88.9	Confident	14 Å²	14	47.4 Å²	47.4	9%	0.085	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-42.4	176.6	176.8	0	0	0	0	111	L148 P368 V369 L370 T374 E375 H376	L148-V372 HydrophobicContact CD2-CG2 4.07Å; P368-V372 PolarHBondContact O-N 3.45Å; V369-V372 PolarHBondContact O-N 3.06Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 PolarHBondContact O-N 3.09Å; V372-T374 PolarHBondContact O-N 3.01Å; V372-E375 PolarHBondContact O-N 3.21Å; V372-H376 PolarHBondContact O-N 2.87Å; V372-H376 VanDerWaalsContact O-N 3.13Å; V372-H376 PolarHBondContact O-ND1 2.99Å
373	A	87.2	Confident	88.6	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-45.5	178	0	0	0	0	0	111.9	Y312 V369 L370 E375 H376 T377 L379	Y312-A373 HydrophobicContact CE1-CB 4.09Å; V369-A373 PolarHBondContact O-N 2.87Å; L370-A373 PolarHBondContact O-N 3.21Å; A373-E375 PolarHBondContact O-N 3.3Å; A373-H376 PolarHBondContact O-N 3.26Å; A373-T377 PolarHBondContact O-N 3.09Å; A373-T377 PolarHBondContact O-OG1 2.65Å; A373-L379 HydrophobicContact CB-CD2 4.15Å
374	T	87.3	Confident	88.2	Confident	45 Å²	45	53.1 Å²	53.1	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-61	-33.5	177.6	54.4	0	0	0	0	112.7	L370 K371 V372 L379 V381	L370-T374 VanDerWaalsContact O-CG2 3.3Å; L370-T374 WeakPolarHBondContact O-CG2 3.26Å; L370-T374 PolarHBondContact O-N 2.77Å; L370-T374 PolarHBondContact O-OG1 3.28Å; K371-T374 PolarHBondContact O-N 2.97Å; K371-T374 PolarHBondContact O-OG1 2.79Å; V372-T374 PolarHBondContact O-N 3.01Å; T374-L379 WeakPolarHBondContact CA-O 3.33Å; T374-L379 WeakPolarHBondContact CB-O 3.35Å; T374-L379 HydrophobicContact CG2-CB 4.33Å; T374-L379 HydrophobicContact CG2-CD2 4.29Å; T374-L379 HydrophobicContact CG2-CG 4.36Å; T374-L379 WeakPolarHBondContact CG2-O 3.07Å; T374-V381 HydrophobicContact CG2-CG2 3.64Å
375	E	82.2	Confident	88.4	Confident	106 Å²	106	48.6 Å²	48.6	50%	0.495	30%	0.298	S	S	.	.	H	α-helix	trans	-75.6	-30.4	179	-71.4	169.4	-172.1	0	0	113	K371 V372 A373	K371-E375 WeakPolarHBondContact CE-OE1 3.42Å; K371-E375 WeakPolarHBondContact O-CG 3.44Å; K371-E375 PolarHBondContact O-N 2.84Å; V372-E375 PolarHBondContact O-N 3.21Å; A373-E375 PolarHBondContact O-N 3.3Å
376	H	75.5	Confident	88.5	Confident	76 Å²	76	49.2 Å²	49.2	35%	0.352	30%	0.301	S	S	.	.	H	α-helix	trans	-117.6	-27.4	-166.7	-62	83.4	0	0	0	115.2	N145 V372 A373 H397	N145-H376 PolarHBondContact O-NE2 3.5Å; V372-H376 PolarHBondContact O-N 2.87Å; V372-H376 VanDerWaalsContact O-N 3.13Å; V372-H376 PolarHBondContact O-ND1 2.99Å; A373-H376 PolarHBondContact O-N 3.26Å; H376-H397 PolarHBondContact O-NE2 2.85Å
377	T	80.2	Confident	88.5	Confident	11 Å²	11	51.2 Å²	51.2	7%	0.067	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-16.6	-177.5	75.4	0	0	0	0	112.2	Y312 A373 L379 H394 L398	Y312-T377 HydrophobicContact CD1-CG2 4.36Å; Y312-T377 HydrophobicContact CE1-CG2 3.99Å; A373-T377 PolarHBondContact O-N 3.09Å; A373-T377 PolarHBondContact O-OG1 2.65Å; T377-L379 PolarHBondContact OG1-N 2.96Å; T377-H394 PolarHBondContact O-CE1 3.14Å; T377-H394 PolarHBondContact O-ND1 2.96Å; T377-L398 HydrophobicContact CG2-CD2 3.73Å
378	G	80	Confident	88.6	Confident	47 Å²	47	48 Å²	48	49%	0.485	29%	0.288	S	S	.	.			trans	80.8	17.3	-171.8	0	0	0	0	0	113.4	V380	G378-V380 PolarHBondContact O-N 3.4Å
379	L	90.5	Very high	88.6	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.021	29%	0.29	C	S	.	.			trans	-60.5	126.6	166.7	-176.6	69.4	0	0	0	109.6	L315 F322 L370 A373 T374 T377 F386 Q388	L315-L379 HydrophobicContact CD1-CD2 4.48Å; L315-L379 HydrophobicContact CD2-CD1 4Å; L315-L379 HydrophobicContact CD2-CD2 4.39Å; F322-L379 HydrophobicContact CZ-CD1 3.94Å; L370-L379 HydrophobicContact CD2-CD2 3.87Å; A373-L379 HydrophobicContact CB-CD2 4.15Å; T374-L379 WeakPolarHBondContact CA-O 3.33Å; T374-L379 WeakPolarHBondContact CB-O 3.35Å; T374-L379 HydrophobicContact CG2-CB 4.33Å; T374-L379 HydrophobicContact CG2-CD2 4.29Å; T374-L379 HydrophobicContact CG2-CG 4.36Å; T374-L379 WeakPolarHBondContact CG2-O 3.07Å; T377-L379 PolarHBondContact OG1-N 2.96Å; L379-F386 HydrophobicContact CD1-CB 3.9Å; L379-F386 HydrophobicContact CD1-CD1 4.31Å; L379-F386 HydrophobicContact CD1-CG 4.44Å; L379-F386 HydrophobicContact CD2-CD1 3.96Å; L379-F386 HydrophobicContact CD2-CE1 4.43Å; L379-F386 HydrophobicContact CG-CD1 4.07Å; L379-Q388 HydrophobicContact CD1-CB 3.98Å
380	V	92	Very high	88.5	Confident	76 Å²	76	52.1 Å²	52.1	46%	0.461	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.2	-179.7	-178.6	0	0	0	0	109.7	G378 Q382 F386 E387	G378-V380 PolarHBondContact O-N 3.4Å; V380-Q382 HydrophobicContact CG1-CG 4.44Å; V380-F386 CarbonylContact O-C 3.4Å; V380-F386 VanDerWaalsContact O-CA 3.29Å; V380-F386 WeakPolarHBondContact O-CA 3.41Å; V380-E387 HydrophobicContact CB-CB 4.49Å; V380-E387 PolarHBondContact N-O 2.91Å; V380-E387 PolarHBondContact O-N 2.9Å
381	V	92.2	Very high	88.4	Confident	81 Å²	81	55 Å²	55	49%	0.491	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.2	175.9	-171.7	0	0	0	0	109.7	T374 F386	T374-V381 HydrophobicContact CG2-CG2 3.64Å; V381-F386 HydrophobicContact CG1-CE1 4.31Å; V381-F386 HydrophobicContact CG2-CD1 4.07Å; V381-F386 HydrophobicContact CG2-CE1 3.85Å
382	Q	89.4	Confident	88.5	Confident	100 Å²	100	50 Å²	50	47%	0.467	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	85.6	175.4	-68.3	-173.7	13.9	0	0	109.9	V380 S384 S385 E387	V380-Q382 HydrophobicContact CG1-CG 4.44Å; Q382-S384 PolarHBondContact O-N 3.04Å; Q382-S384 VanDerWaalsContact O-N 3.16Å; Q382-S385 CarbonylContact C-O 3.55Å; Q382-S385 PolarHBondContact N-O 2.77Å; Q382-S385 PolarHBondContact O-N 2.97Å; Q382-E387 PolarHBondContact NE2-OE2 3.07Å
383	G	88.1	Confident	88.5	Confident	76 Å²	76	56.1 Å²	56.1	78%	0.784	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	-117.5	-175.8	0	0	0	0	0	111.3	S385	G383-S385 VanDerWaalsContact C-N 3.34Å
384	S	87.4	Confident	88.5	Confident	84 Å²	84	56.8 Å²	56.8	59%	0.587	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	10.2	176.1	58.4	0	0	0	0	114.2	E324 Q382	E324-S384 PolarHBondContact N-O 3.35Å; Q382-S384 PolarHBondContact O-N 3.04Å; Q382-S384 VanDerWaalsContact O-N 3.16Å
385	S	94.7	Very high	88.7	Confident	37 Å²	37	55.7 Å²	55.7	26%	0.259	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	164.7	179.5	-59	0	0	0	0	111.4	F322 Q382 G383	F322-S385 CarbonylContact O-C 3.56Å; F322-S385 WeakPolarHBondContact O-CA 3.18Å; Q382-S385 CarbonylContact C-O 3.55Å; Q382-S385 PolarHBondContact N-O 2.77Å; Q382-S385 PolarHBondContact O-N 2.97Å; G383-S385 VanDerWaalsContact C-N 3.34Å
386	F	96.3	Very high	89	Confident	15 Å²	15	52.7 Å²	52.7	7%	0.066	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.2	178	-59.4	-88.7	0	0	0	110.2	R321 F322 E324 L327 L370 L379 V380 V381	R321-F386 WeakPolarHBondContact CA-O 3.38Å; F322-F386 HydrophobicContact CD2-CB 4.17Å; F322-F386 HydrophobicContact CD2-CD2 4.24Å; F322-F386 HydrophobicContact CE1-CB 4.2Å; F322-F386 HydrophobicContact CE2-CB 3.58Å; F322-F386 AromaticContact CE2-CD2 3.86Å; F322-F386 HydrophobicContact CE2-CD2 3.86Å; F322-F386 AromaticContact CE2-CG 3.97Å; F322-F386 HydrophobicContact CE2-CG 3.97Å; F322-F386 HydrophobicContact CZ-CB 3.6Å; F322-F386 HydrophobicContact CZ-CG 4.34Å; F322-F386 PolarHBondContact N-O 3.19Å; F322-F386 VanDerWaalsContact N-O 3.14Å; F322-F386 PolarHBondContact O-N 2.91Å; E324-F386 HydrophobicContact CB-CE2 3.87Å; E324-F386 HydrophobicContact CG-CE2 4.18Å; L327-F386 HydrophobicContact CD2-CE2 4.4Å; L370-F386 HydrophobicContact CD1-CE1 4.37Å; L370-F386 HydrophobicContact CD1-CZ 3.89Å; L370-F386 HydrophobicContact CD2-CE1 4.13Å; L370-F386 HydrophobicContact CD2-CZ 4.28Å; L379-F386 HydrophobicContact CD1-CB 3.9Å; L379-F386 HydrophobicContact CD1-CD1 4.31Å; L379-F386 HydrophobicContact CD1-CG 4.44Å; L379-F386 HydrophobicContact CD2-CD1 3.96Å; L379-F386 HydrophobicContact CD2-CE1 4.43Å; L379-F386 HydrophobicContact CG-CD1 4.07Å; V380-F386 CarbonylContact O-C 3.4Å; V380-F386 VanDerWaalsContact O-CA 3.29Å; V380-F386 WeakPolarHBondContact O-CA 3.41Å; V381-F386 HydrophobicContact CG1-CE1 4.31Å; V381-F386 HydrophobicContact CG2-CD1 4.07Å; V381-F386 HydrophobicContact CG2-CE1 3.85Å
387	E	95.2	Very high	89.4	Confident	41 Å²	41	52 Å²	52	19%	0.192	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.1	172	-172.1	164.4	161.1	0	0	109.4	E320 R321 V380 Q382	E320-E387 HydrophobicContact CG-CG 4.34Å; E320-E387 CarbonylContact O-C 3.59Å; E320-E387 VanDerWaalsContact O-CA 3.27Å; E320-E387 WeakPolarHBondContact O-CA 3.47Å; R321-E387 HydrophobicContact CG-CB 4.35Å; R321-E387 HydrophobicContact CG-CG 4.03Å; R321-E387 IonicContact CZ-OE1 3.83Å; R321-E387 IonicContact CZ-OE2 3.42Å; R321-E387 IonicContact NE-OE1 3.72Å; R321-E387 IonicContact NE-OE2 2.84Å; R321-E387 PolarHBondContact NE-OE2 3.34Å; R321-E387 IonicContact NH2-OE1 3.09Å; R321-E387 PolarHBondContact NH2-OE1 3.09Å; R321-E387 VanDerWaalsContact NH2-OE1 3.09Å; R321-E387 IonicContact NH2-OE2 3.11Å; R321-E387 PolarHBondContact NH2-OE2 3.39Å; R321-E387 VanDerWaalsContact NH2-OE2 3.11Å; V380-E387 HydrophobicContact CB-CB 4.49Å; V380-E387 PolarHBondContact N-O 2.91Å; V380-E387 PolarHBondContact O-N 2.9Å; Q382-E387 PolarHBondContact NE2-OE2 3.07Å
388	Q	94	Very high	89.9	Confident	3 Å²	3	51.4 Å²	51.4	1%	0.014	32%	0.315	C	S	.	.			trans	-137.7	144.9	179	67.2	-179	-25.9	0	0	110.9	L315 P319 E320 F322 L379 L390	L315-Q388 PolarHBondContact O-NE2 3.01Å; P319-Q388 PolarHBondContact O-NE2 2.86Å; E320-Q388 WeakPolarHBondContact CG-O 3.19Å; E320-Q388 PolarHBondContact O-N 3.24Å; F322-Q388 HydrophobicContact CE1-CG 3.93Å; F322-Q388 VanDerWaalsContact CE1-NE2 3.27Å; L379-Q388 HydrophobicContact CD1-CB 3.98Å; Q388-L390 HydrophobicContact CG-CD2 4.27Å
389	S	89.8	Confident	90.5	Very high	48 Å²	48	49.2 Å²	49.2	34%	0.336	29%	0.292	S	S	.	.			trans	-76.9	135.5	176	-168.7	0	0	0	0	111.3	N391 H394	S389-N391 VanDerWaalsContact C-N 3.3Å; S389-N391 PolarHBondContact OG-N 3.37Å; S389-N391 PolarHBondContact OG-ND2 2.82Å; S389-H394 WeakPolarHBondContact O-CB 3.48Å; S389-H394 PolarHBondContact O-CD2 3.11Å
390	L	90.9	Very high	90.1	Very high	84 Å²	84	51.4 Å²	51.4	44%	0.44	31%	0.311	S	S	.	.			trans	-94.6	19.5	173.8	-56.7	-177.3	0	0	0	112.9	E320 Q388 L395	E320-L390 HydrophobicContact CB-CD1 4.13Å; E320-L390 HydrophobicContact CB-CG 4.25Å; Q388-L390 HydrophobicContact CG-CD2 4.27Å; L390-L395 WeakPolarHBondContact O-CD1 3.46Å
391	N	90	Very high	89.9	Confident	73 Å²	73	48.9 Å²	48.9	39%	0.39	30%	0.295	S	S	.	.	S	Bend	trans	-72.6	159.1	179.9	78.2	50.8	0	0	0	112	S389 I393 H394 L395	S389-N391 VanDerWaalsContact C-N 3.3Å; S389-N391 PolarHBondContact OG-N 3.37Å; S389-N391 PolarHBondContact OG-ND2 2.82Å; N391-I393 PolarHBondContact O-N 3.3Å; N391-I393 VanDerWaalsContact O-N 3.16Å; N391-I393 WeakPolarHBondContact OD1-CA 3.48Å; N391-I393 WeakPolarHBondContact OD1-CB 3.22Å; N391-I393 PolarHBondContact OD1-N 3.18Å; N391-H394 PolarHBondContact O-N 3.39Å; N391-H394 PolarHBondContact OD1-N 3.49Å; N391-L395 WeakPolarHBondContact O-CG 3.37Å; N391-L395 PolarHBondContact O-N 3.2Å
392	A	90.4	Very high	89.9	Confident	29 Å²	29	45.4 Å²	45.4	24%	0.24	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-27	-175.1	0	0	0	0	0	114.6	H396 S432 R433	A392-H396 WeakPolarHBondContact O-CB 3.13Å; A392-H396 PolarHBondContact O-N 3.38Å; A392-S432 VanDerWaalsContact CA-O 3.32Å; A392-S432 WeakPolarHBondContact CA-O 3.28Å; A392-S432 WeakPolarHBondContact CB-O 3.42Å; A392-S432 VanDerWaalsContact O-CB 3.24Å; A392-S432 WeakPolarHBondContact O-CB 3.39Å; A392-S432 PolarHBondContact O-OG 3.21Å; A392-R433 HydrophobicContact CB-CG 3.92Å
393	I	85.3	Confident	90	Very high	142 Å²	142	40.9 Å²	40.9	73%	0.728	25%	0.252	S	S	*	.	H	α-helix	trans	-72.9	-46.6	178.3	-60.1	172.4	0	0	0	109.7	N391 H396 H397	N391-I393 PolarHBondContact O-N 3.3Å; N391-I393 VanDerWaalsContact O-N 3.16Å; N391-I393 WeakPolarHBondContact OD1-CA 3.48Å; N391-I393 WeakPolarHBondContact OD1-CB 3.22Å; N391-I393 PolarHBondContact OD1-N 3.18Å; I393-H396 PolarHBondContact O-N 3.4Å; I393-H397 PolarHBondContact O-N 3.08Å; I393-H397 VanDerWaalsContact O-N 3.08Å
394	H	87.2	Confident	89.9	Confident	14 Å²	14	38.7 Å²	38.7	7%	0.065	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-47.4	176.7	-178.7	85.9	0	0	0	111.5	T377 S389 N391 H396 H397 L398	T377-H394 PolarHBondContact O-CE1 3.14Å; T377-H394 PolarHBondContact O-ND1 2.96Å; S389-H394 WeakPolarHBondContact O-CB 3.48Å; S389-H394 PolarHBondContact O-CD2 3.11Å; N391-H394 PolarHBondContact O-N 3.39Å; N391-H394 PolarHBondContact OD1-N 3.49Å; H394-H396 VanDerWaalsContact C-N 3.34Å; H394-H396 PolarHBondContact O-N 3.39Å; H394-H397 PolarHBondContact O-N 3.25Å; H394-L398 VanDerWaalsContact NE2-CD1 3.27Å; H394-L398 WeakPolarHBondContact NE2-CD1 3.47Å; H394-L398 PolarHBondContact O-N 2.86Å
395	L	92	Very high	90.1	Very high	22 Å²	22	36.3 Å²	36.3	12%	0.115	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-41.3	177.6	-66.2	-179.2	0	0	0	111.9	L316 L390 N391 H397 L398 L399	L316-L395 HydrophobicContact CD2-CD2 3.92Å; L390-L395 WeakPolarHBondContact O-CD1 3.46Å; N391-L395 WeakPolarHBondContact O-CG 3.37Å; N391-L395 PolarHBondContact O-N 3.2Å; L395-H397 VanDerWaalsContact C-N 3.33Å; L395-H397 PolarHBondContact O-N 3.17Å; L395-L398 PolarHBondContact O-N 3.36Å; L395-L399 VanDerWaalsContact O-CB 3.31Å; L395-L399 WeakPolarHBondContact O-CB 3.47Å; L395-L399 WeakPolarHBondContact O-CD1 3.46Å; L395-L399 WeakPolarHBondContact O-CG 3.35Å; L395-L399 PolarHBondContact O-N 3.31Å
396	H	87.4	Confident	90.1	Very high	43 Å²	43	34.5 Å²	34.5	20%	0.199	19%	0.19	C	C	.	.	H	α-helix	trans	-57.7	-47	175.6	179.5	100.4	0	0	0	111.1	A392 I393 H394 L399 A400 E425	A392-H396 WeakPolarHBondContact O-CB 3.13Å; A392-H396 PolarHBondContact O-N 3.38Å; I393-H396 PolarHBondContact O-N 3.4Å; H394-H396 VanDerWaalsContact C-N 3.34Å; H394-H396 PolarHBondContact O-N 3.39Å; H396-L399 PolarHBondContact O-N 3.49Å; H396-A400 PolarHBondContact O-N 2.96Å; H396-E425 IonicContact CE1-OE1 3.17Å; H396-E425 PolarHBondContact CE1-OE1 3.18Å; H396-E425 IonicContact NE2-OE1 3.82Å; H396-E425 PolarHBondContact NE2-OE1 2.86Å; H396-E425 VanDerWaalsContact NE2-OE1 3.11Å
397	H	84.7	Confident	89.8	Confident	61 Å²	61	34.9 Å²	34.9	28%	0.282	19%	0.192	S	C	.	.	H	α-helix	trans	-61.1	-48	178	-176.1	62.4	0	0	0	112.2	H376 I393 H394 L395 L399 A400 L401	H376-H397 PolarHBondContact O-NE2 2.85Å; I393-H397 PolarHBondContact O-N 3.08Å; I393-H397 VanDerWaalsContact O-N 3.08Å; H394-H397 PolarHBondContact O-N 3.25Å; L395-H397 VanDerWaalsContact C-N 3.33Å; L395-H397 PolarHBondContact O-N 3.17Å; H397-L399 PolarHBondContact O-N 3.35Å; H397-A400 PolarHBondContact O-N 2.88Å; H397-L401 WeakPolarHBondContact O-CG 3.23Å; H397-L401 PolarHBondContact O-N 3.24Å
398	L	91	Very high	89.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-39.1	178.2	-71.5	-175.1	0	0	0	113	Y312 L315 L316 T377 H394 L395 A400 L401	Y312-L398 HydrophobicContact CD1-CD2 3.97Å; Y312-L398 HydrophobicContact CG-CD2 4.47Å; L315-L398 HydrophobicContact CB-CD1 3.88Å; L315-L398 HydrophobicContact CD1-CD2 4.25Å; L316-L398 HydrophobicContact CD1-CB 4.12Å; L316-L398 HydrophobicContact CD2-CB 3.67Å; L316-L398 HydrophobicContact CD2-CD1 4.08Å; L316-L398 HydrophobicContact CG-CB 3.77Å; L316-L398 HydrophobicContact CG-CD1 4.08Å; T377-L398 HydrophobicContact CG2-CD2 3.73Å; H394-L398 VanDerWaalsContact NE2-CD1 3.27Å; H394-L398 WeakPolarHBondContact NE2-CD1 3.47Å; H394-L398 PolarHBondContact O-N 2.86Å; L395-L398 PolarHBondContact O-N 3.36Å; L398-A400 VanDerWaalsContact C-N 3.34Å; L398-A400 PolarHBondContact O-N 3.06Å; L398-L401 PolarHBondContact O-N 3.18Å
399	L	91.2	Very high	89.5	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-43.1	176.7	-77.1	166.6	0	0	0	111	L316 L395 H396 H397 L401 L402 L407 I428 L431 V441	L316-L399 HydrophobicContact CD1-CD2 4.12Å; L316-L399 HydrophobicContact CD1-CG 4.43Å; L316-L399 HydrophobicContact CD2-CD2 4.39Å; L316-L399 HydrophobicContact CD2-CG 4.17Å; L395-L399 VanDerWaalsContact O-CB 3.31Å; L395-L399 WeakPolarHBondContact O-CB 3.47Å; L395-L399 WeakPolarHBondContact O-CD1 3.46Å; L395-L399 WeakPolarHBondContact O-CG 3.35Å; L395-L399 PolarHBondContact O-N 3.31Å; H396-L399 PolarHBondContact O-N 3.49Å; H397-L399 PolarHBondContact O-N 3.35Å; L399-L401 PolarHBondContact O-N 2.95Å; L399-L402 HydrophobicContact CD2-CD1 3.91Å; L399-L402 VanDerWaalsContact O-CB 3.3Å; L399-L402 WeakPolarHBondContact O-CB 3.32Å; L399-L402 WeakPolarHBondContact O-CG 3.26Å; L399-L402 PolarHBondContact O-N 2.86Å; L399-L402 VanDerWaalsContact O-N 3.09Å; L399-L407 WeakPolarHBondContact O-CD2 3.07Å; L399-I428 HydrophobicContact CB-CG1 4.47Å; L399-I428 HydrophobicContact CB-CG2 3.73Å; L399-I428 HydrophobicContact CD1-CG2 4.35Å; L399-L431 HydrophobicContact CD1-CB 3.82Å; L399-V441 HydrophobicContact CD2-CG2 3.65Å
400	A	83.8	Confident	89.7	Confident	49 Å²	49	38.1 Å²	38.1	41%	0.405	20%	0.197	S	C	.	.	H	α-helix	trans	-63.2	-21.9	177.5	0	0	0	0	0	113.7	H396 H397 L398 I428	H396-A400 PolarHBondContact O-N 2.96Å; H397-A400 PolarHBondContact O-N 2.88Å; L398-A400 VanDerWaalsContact C-N 3.34Å; L398-A400 PolarHBondContact O-N 3.06Å; A400-I428 HydrophobicContact CB-CD1 4.28Å
401	L	87.8	Confident	89.5	Confident	23 Å²	23	36 Å²	36	12%	0.12	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.1	177.5	-62.7	171.1	0	0	0	113.5	W146 Y312 H397 L398 L399	W146-L401 HydrophobicContact CB-CD2 4.26Å; W146-L401 HydrophobicContact CG-CD2 3.92Å; Y312-L401 HydrophobicContact CD1-CD1 4.23Å; Y312-L401 HydrophobicContact CD2-CB 3.66Å; Y312-L401 HydrophobicContact CD2-CD1 3.93Å; Y312-L401 HydrophobicContact CD2-CG 4.35Å; Y312-L401 HydrophobicContact CE1-CD1 4.2Å; Y312-L401 HydrophobicContact CE2-CB 4.19Å; Y312-L401 HydrophobicContact CE2-CD1 3.88Å; Y312-L401 HydrophobicContact CE2-CG 4.45Å; Y312-L401 HydrophobicContact CG-CB 4.15Å; Y312-L401 HydrophobicContact CG-CD1 4.12Å; H397-L401 WeakPolarHBondContact O-CG 3.23Å; H397-L401 PolarHBondContact O-N 3.24Å; L398-L401 PolarHBondContact O-N 3.18Å; L399-L401 PolarHBondContact O-N 2.95Å
402	L	91.8	Very high	89.5	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.042	20%	0.204	C	C	.	.	S	Bend	trans	-69.4	149.2	178.7	-73.6	176.7	0	0	0	112.2	A313 L316 L399 V406 L407 L410 V441	A313-L402 HydrophobicContact CB-CD2 3.78Å; L316-L402 HydrophobicContact CD1-CD1 3.78Å; L316-L402 HydrophobicContact CD1-CD2 3.84Å; L316-L402 HydrophobicContact CD1-CG 3.85Å; L399-L402 HydrophobicContact CD2-CD1 3.91Å; L399-L402 VanDerWaalsContact O-CB 3.3Å; L399-L402 WeakPolarHBondContact O-CB 3.32Å; L399-L402 WeakPolarHBondContact O-CG 3.26Å; L399-L402 PolarHBondContact O-N 2.86Å; L399-L402 VanDerWaalsContact O-N 3.09Å; L402-V406 HydrophobicContact CB-CB 4.47Å; L402-V406 HydrophobicContact CD1-CG1 3.99Å; L402-L407 HydrophobicContact CB-CD2 4.16Å; L402-L407 HydrophobicContact CB-CG 4.08Å; L402-L407 WeakPolarHBondContact O-CD1 3.48Å; L402-L410 HydrophobicContact CD1-CD1 4.27Å; L402-V441 HydrophobicContact CD1-CG1 4.08Å; L402-V441 HydrophobicContact CD1-CG2 4.06Å
403	P	91.8	Very high	89.6	Confident	5 Å²	5	45 Å²	45	3%	0.032	21%	0.207	C	C	.	.			trans	-59.3	143.2	174.5	-29.1	39.6	0	0	0	112.9	W275 S309 N405 V406 L407	W275-P403 HydrophobicContact CB-CB 3.95Å; W275-P403 HydrophobicContact CB-CG 4.41Å; W275-P403 HydrophobicContact CD2-CB 4.02Å; W275-P403 HydrophobicContact CD2-CG 3.52Å; W275-P403 HydrophobicContact CE3-CB 4.3Å; W275-P403 HydrophobicContact CE3-CG 3.8Å; W275-P403 HydrophobicContact CG-CB 3.86Å; W275-P403 HydrophobicContact CG-CG 3.8Å; W275-P403 HydrophobicContact CH2-CG 4.35Å; W275-P403 HydrophobicContact CZ2-CG 4.13Å; W275-P403 HydrophobicContact CZ3-CG 4.2Å; S309-P403 VanDerWaalsContact CB-CG 3.45Å; S309-P403 WeakPolarHBondContact OG-CG 3.46Å; P403-N405 VanDerWaalsContact C-N 3.32Å; P403-N405 PolarHBondContact O-N 2.97Å; P403-N405 VanDerWaalsContact O-N 3.11Å; P403-V406 HydrophobicContact CB-CG2 4.4Å; P403-V406 WeakPolarHBondContact O-CA 3.39Å; P403-V406 VanDerWaalsContact O-CB 3.3Å; P403-V406 WeakPolarHBondContact O-CB 3.09Å; P403-V406 PolarHBondContact O-N 3.31Å; P403-L407 PolarHBondContact O-N 3.38Å
404	K	85.7	Confident	89.7	Confident	30 Å²	30	40.2 Å²	40.2	13%	0.13	18%	0.183	C	C	.	.	H	α-helix	trans	-45.5	-46	-176.6	-176.9	-170.7	76	-167.3	0	114.9	E109 D274 V406 L407 W408	E109-K404 WeakPolarHBondContact OE1-CD 3.4Å; E109-K404 WeakPolarHBondContact OE1-CE 3.41Å; E109-K404 IonicContact OE1-NZ 3.2Å; E109-K404 PolarHBondContact OE1-NZ 3.45Å; E109-K404 IonicContact OE2-NZ 2.89Å; E109-K404 PolarHBondContact OE2-NZ 3.46Å; D274-K404 HydrophobicContact CB-CB 4.34Å; D274-K404 IonicContact OD2-NZ 2.87Å; D274-K404 PolarHBondContact OD2-NZ 3.3Å; K404-V406 VanDerWaalsContact C-N 3.26Å; K404-V406 PolarHBondContact O-N 2.73Å; K404-L407 WeakPolarHBondContact O-CB 3.28Å; K404-L407 PolarHBondContact O-N 3.48Å; K404-W408 HydrophobicContact CD-CD2 4.3Å; K404-W408 HydrophobicContact CD-CE3 4.32Å; K404-W408 HydrophobicContact CD-CH2 3.54Å; K404-W408 HydrophobicContact CD-CZ2 3.48Å; K404-W408 VanDerWaalsContact CD-CZ2 3.48Å; K404-W408 HydrophobicContact CD-CZ3 3.98Å; K404-W408 VanDerWaalsContact CE-CZ3 3.43Å; K404-W408 HydrophobicContact CG-CD2 3.81Å; K404-W408 HydrophobicContact CG-CE3 4.14Å; K404-W408 HydrophobicContact CG-CG 4.38Å; K404-W408 HydrophobicContact CG-CH2 4.13Å; K404-W408 HydrophobicContact CG-CZ2 3.78Å; K404-W408 HydrophobicContact CG-CZ3 4.3Å; K404-W408 PolarHBondContact O-N 2.82Å
405	N	91.3	Very high	89.8	Confident	34 Å²	34	40.6 Å²	40.6	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-70.8	-22.5	-178	-72.5	-63.4	0	0	0	113.5	D274 E276 P403 K409 I448	D274-N405 VanDerWaalsContact O-CB 3.25Å; D274-N405 WeakPolarHBondContact O-CB 3.37Å; D274-N405 PolarHBondContact O-N 3.29Å; D274-N405 PolarHBondContact O-ND2 2.97Å; E276-N405 VanDerWaalsContact CA-ND2 3.33Å; E276-N405 WeakPolarHBondContact CA-ND2 3.49Å; E276-N405 PolarHBondContact N-ND2 3.26Å; P403-N405 VanDerWaalsContact C-N 3.32Å; P403-N405 PolarHBondContact O-N 2.97Å; P403-N405 VanDerWaalsContact O-N 3.11Å; N405-K409 WeakPolarHBondContact O-CG 3.35Å; N405-K409 PolarHBondContact O-N 3.38Å; N405-I448 HydrophobicContact CB-CD1 4.06Å
406	V	94.9	Very high	89.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.8	-50.8	170.3	-174.9	0	0	0	0	108.7	W275 L402 P403 K404 W408 K409 L410 A444 I445 I448	W275-V406 HydrophobicContact CE3-CG2 3.59Å; W275-V406 HydrophobicContact CZ3-CG2 4.07Å; L402-V406 HydrophobicContact CB-CB 4.47Å; L402-V406 HydrophobicContact CD1-CG1 3.99Å; P403-V406 HydrophobicContact CB-CG2 4.4Å; P403-V406 WeakPolarHBondContact O-CA 3.39Å; P403-V406 VanDerWaalsContact O-CB 3.3Å; P403-V406 WeakPolarHBondContact O-CB 3.09Å; P403-V406 PolarHBondContact O-N 3.31Å; K404-V406 VanDerWaalsContact C-N 3.26Å; K404-V406 PolarHBondContact O-N 2.73Å; V406-W408 PolarHBondContact O-N 2.8Å; V406-K409 WeakPolarHBondContact O-CB 3.2Å; V406-K409 PolarHBondContact O-N 2.85Å; V406-K409 VanDerWaalsContact O-N 3.12Å; V406-L410 HydrophobicContact CG1-CD1 4.1Å; V406-L410 WeakPolarHBondContact O-CG 3.45Å; V406-L410 PolarHBondContact O-N 3.49Å; V406-A444 HydrophobicContact CG1-CB 4.02Å; V406-I445 HydrophobicContact CG1-CG1 4.24Å; V406-I445 HydrophobicContact CG2-CG1 4.1Å; V406-I448 HydrophobicContact CG2-CD1 3.84Å
407	L	90.2	Very high	89.7	Confident	22 Å²	22	52.6 Å²	52.6	12%	0.115	24%	0.238	C	C	.	.	H	α-helix	trans	-55.9	-49.5	177.3	-73.2	179.5	0	0	0	112.8	L399 L402 P403 K404 K409 L410 E411 M424 I428	L399-L407 WeakPolarHBondContact O-CD2 3.07Å; L402-L407 HydrophobicContact CB-CD2 4.16Å; L402-L407 HydrophobicContact CB-CG 4.08Å; L402-L407 WeakPolarHBondContact O-CD1 3.48Å; P403-L407 PolarHBondContact O-N 3.38Å; K404-L407 WeakPolarHBondContact O-CB 3.28Å; K404-L407 PolarHBondContact O-N 3.48Å; L407-K409 VanDerWaalsContact C-N 3.28Å; L407-K409 PolarHBondContact O-N 3.27Å; L407-L410 WeakPolarHBondContact O-CB 3.27Å; L407-L410 PolarHBondContact O-N 2.85Å; L407-L410 VanDerWaalsContact O-N 3.12Å; L407-E411 WeakPolarHBondContact O-CB 3.39Å; L407-E411 PolarHBondContact O-N 2.78Å; L407-M424 HydrophobicContact CB-CE 3.93Å; L407-M424 HydrophobicContact CB-SD 3.7Å; L407-M424 HydrophobicContact CD2-SD 4.09Å; L407-M424 HydrophobicContact CG-SD 4.34Å; L407-I428 HydrophobicContact CD2-CD1 4.1Å; L407-I428 HydrophobicContact CD2-CG1 4.16Å
408	W	90.1	Very high	89.7	Confident	89 Å²	89	53 Å²	53	34%	0.337	24%	0.241	S	C	.	.	H	α-helix	trans	-61.5	-33.3	176.4	-74.7	-15.8	0	0	0	113.6	I105 K404 V406 R412	I105-W408 HydrophobicContact CG2-CZ2 4.45Å; K404-W408 HydrophobicContact CD-CD2 4.3Å; K404-W408 HydrophobicContact CD-CE3 4.32Å; K404-W408 HydrophobicContact CD-CH2 3.54Å; K404-W408 HydrophobicContact CD-CZ2 3.48Å; K404-W408 VanDerWaalsContact CD-CZ2 3.48Å; K404-W408 HydrophobicContact CD-CZ3 3.98Å; K404-W408 VanDerWaalsContact CE-CZ3 3.43Å; K404-W408 HydrophobicContact CG-CD2 3.81Å; K404-W408 HydrophobicContact CG-CE3 4.14Å; K404-W408 HydrophobicContact CG-CG 4.38Å; K404-W408 HydrophobicContact CG-CH2 4.13Å; K404-W408 HydrophobicContact CG-CZ2 3.78Å; K404-W408 HydrophobicContact CG-CZ3 4.3Å; K404-W408 PolarHBondContact O-N 2.82Å; V406-W408 PolarHBondContact O-N 2.8Å; W408-R412 VanDerWaalsContact O-CB 3.23Å; W408-R412 WeakPolarHBondContact O-CB 3.42Å; W408-R412 PolarHBondContact O-N 2.96Å
409	K	92.9	Very high	89.4	Confident	70 Å²	70	60.4 Å²	60.4	30%	0.304	29%	0.287	S	S	.	.	H	α-helix	trans	-69.6	-40.6	174.5	-83.9	-176.1	178.4	-63	0	111.7	N405 V406 L407 W413 A444 N447 I448	N405-K409 WeakPolarHBondContact O-CG 3.35Å; N405-K409 PolarHBondContact O-N 3.38Å; V406-K409 WeakPolarHBondContact O-CB 3.2Å; V406-K409 PolarHBondContact O-N 2.85Å; V406-K409 VanDerWaalsContact O-N 3.12Å; L407-K409 VanDerWaalsContact C-N 3.28Å; L407-K409 PolarHBondContact O-N 3.27Å; K409-W413 WeakPolarHBondContact O-CB 3.44Å; K409-W413 PolarHBondContact O-N 2.87Å; K409-W413 VanDerWaalsContact O-N 3.09Å; K409-A444 HydrophobicContact CB-CB 3.98Å; K409-A444 WeakPolarHBondContact CD-O 3.14Å; K409-N447 HydrophobicContact CD-CB 4.28Å; K409-I448 HydrophobicContact CD-CD1 4.1Å; K409-I448 HydrophobicContact CD-CG1 3.56Å
410	L	93.1	Very high	89	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-51.2	175.9	-69.4	168.7	0	0	0	110.5	L402 V406 L407 R412 W413 M414 L431 L440 V441 A444	L402-L410 HydrophobicContact CD1-CD1 4.27Å; V406-L410 HydrophobicContact CG1-CD1 4.1Å; V406-L410 WeakPolarHBondContact O-CG 3.45Å; V406-L410 PolarHBondContact O-N 3.49Å; L407-L410 WeakPolarHBondContact O-CB 3.27Å; L407-L410 PolarHBondContact O-N 2.85Å; L407-L410 VanDerWaalsContact O-N 3.12Å; L410-R412 PolarHBondContact O-N 2.86Å; L410-W413 PolarHBondContact O-N 2.96Å; L410-W413 VanDerWaalsContact O-N 3.15Å; L410-M414 WeakPolarHBondContact O-CB 3.29Å; L410-M414 VanDerWaalsContact O-CG 3.31Å; L410-M414 WeakPolarHBondContact O-CG 3.4Å; L410-M414 PolarHBondContact O-N 2.92Å; L410-L431 HydrophobicContact CB-CD1 3.98Å; L410-L431 HydrophobicContact CD1-CD1 4.12Å; L410-L431 HydrophobicContact CD2-CD1 4.25Å; L410-L431 HydrophobicContact CG-CD1 4.34Å; L410-L440 HydrophobicContact CD2-CB 3.92Å; L410-V441 HydrophobicContact CD1-CG2 4.09Å; L410-A444 HydrophobicContact CD2-CB 4.06Å; L410-A444 HydrophobicContact CG-CB 4.09Å
411	E	87.4	Confident	88.6	Confident	41 Å²	41	66.4 Å²	66.4	19%	0.192	32%	0.324	C	S	.	.	H	α-helix	trans	-56	-51.7	176.7	178.1	-173.1	-135.2	0	0	111.9	L407 W413 M414 N415 M424 V427	L407-E411 WeakPolarHBondContact O-CB 3.39Å; L407-E411 PolarHBondContact O-N 2.78Å; E411-W413 PolarHBondContact O-N 2.85Å; E411-M414 PolarHBondContact O-N 2.88Å; E411-N415 VanDerWaalsContact O-CB 3.32Å; E411-N415 WeakPolarHBondContact O-CB 3.48Å; E411-N415 PolarHBondContact O-N 2.85Å; E411-N415 PolarHBondContact O-ND2 3.02Å; E411-M424 HydrophobicContact CB-CE 3.63Å; E411-M424 HydrophobicContact CB-SD 4.15Å; E411-M424 VanDerWaalsContact CD-CE 3.5Å; E411-M424 HydrophobicContact CG-CE 4.1Å; E411-M424 VanDerWaalsContact OE2-CE 3.28Å; E411-M424 WeakPolarHBondContact OE2-CE 3.35Å; E411-V427 HydrophobicContact CB-CG1 4.45Å; E411-V427 HydrophobicContact CB-CG2 4.34Å; E411-V427 HydrophobicContact CG-CG2 4.24Å
412	R	90.1	Very high	88.2	Confident	209 Å²	209	69.7 Å²	69.7	79%	0.789	34%	0.335	S	S	*	.	H	α-helix	trans	-59.1	-36.2	178.9	-178.6	174.1	178.1	152.8	2.5	112.5	W408 L410 R416	W408-R412 VanDerWaalsContact O-CB 3.23Å; W408-R412 WeakPolarHBondContact O-CB 3.42Å; W408-R412 PolarHBondContact O-N 2.96Å; L410-R412 PolarHBondContact O-N 2.86Å; R412-R416 PolarHBondContact O-N 3Å
413	W	91.5	Very high	87.2	Confident	80 Å²	80	70.1 Å²	70.1	30%	0.303	34%	0.337	S	S	.	.	H	α-helix	trans	-71.7	-51.6	177.7	-174.3	-4.6	0	0	0	110.6	K409 L410 E411 N415 R416 L440 K443	K409-W413 WeakPolarHBondContact O-CB 3.44Å; K409-W413 PolarHBondContact O-N 2.87Å; K409-W413 VanDerWaalsContact O-N 3.09Å; L410-W413 PolarHBondContact O-N 2.96Å; L410-W413 VanDerWaalsContact O-N 3.15Å; E411-W413 PolarHBondContact O-N 2.85Å; W413-N415 PolarHBondContact O-N 2.74Å; W413-N415 VanDerWaalsContact O-N 3.15Å; W413-R416 WeakPolarHBondContact O-CB 3.46Å; W413-R416 PolarHBondContact O-N 3.06Å; W413-L440 HydrophobicContact CD2-CD2 4.33Å; W413-L440 HydrophobicContact CE3-CD2 4.01Å; W413-L440 HydrophobicContact CH2-CD2 3.06Å; W413-L440 HydrophobicContact CH2-CG 4.44Å; W413-L440 HydrophobicContact CZ2-CD2 3.51Å; W413-L440 HydrophobicContact CZ3-CB 4.39Å; W413-L440 HydrophobicContact CZ3-CD2 3.38Å; W413-L440 HydrophobicContact CZ3-CG 4.49Å; W413-K443 HydrophobicContact CH2-CB 4.36Å; W413-K443 HydrophobicContact CH2-CD 3.31Å; W413-K443 HydrophobicContact CH2-CG 4.01Å; W413-K443 HydrophobicContact CZ2-CD 4.31Å; W413-K443 HydrophobicContact CZ3-CB 3.89Å; W413-K443 HydrophobicContact CZ3-CD 3.48Å; W413-K443 VanDerWaalsContact CZ3-CD 3.48Å; W413-K443 HydrophobicContact CZ3-CG 3.61Å
414	M	88.7	Confident	86.5	Confident	43 Å²	43	70.8 Å²	70.8	21%	0.212	34%	0.34	C	S	.	.	H	α-helix	trans	-57.6	-31.4	179.9	-70.6	-62.9	-66.1	0	0	112.7	L410 E411 V427 A430 L431 L440	L410-M414 WeakPolarHBondContact O-CB 3.29Å; L410-M414 VanDerWaalsContact O-CG 3.31Å; L410-M414 WeakPolarHBondContact O-CG 3.4Å; L410-M414 PolarHBondContact O-N 2.92Å; E411-M414 PolarHBondContact O-N 2.88Å; M414-V427 HydrophobicContact CB-CG1 4.33Å; M414-V427 HydrophobicContact CB-CG2 4.11Å; M414-V427 HydrophobicContact CG-CG1 4.09Å; M414-A430 HydrophobicContact CE-CB 4.31Å; M414-L431 HydrophobicContact CE-CD2 4.45Å; M414-L431 HydrophobicContact CG-CD2 4.25Å; M414-L431 HydrophobicContact CG-CG 4.42Å; M414-L431 HydrophobicContact SD-CD2 3.91Å; M414-L440 HydrophobicContact SD-CD1 4.33Å
415	N	88.7	Confident	86	Confident	22 Å²	22	73.8 Å²	73.8	12%	0.118	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.5	-179.9	-71.1	-27.4	0	0	0	115.3	E411 W413 N417 L418 P421 R422	E411-N415 VanDerWaalsContact O-CB 3.32Å; E411-N415 WeakPolarHBondContact O-CB 3.48Å; E411-N415 PolarHBondContact O-N 2.85Å; E411-N415 PolarHBondContact O-ND2 3.02Å; W413-N415 PolarHBondContact O-N 2.74Å; W413-N415 VanDerWaalsContact O-N 3.15Å; N415-N417 PolarHBondContact O-N 2.81Å; N415-L418 PolarHBondContact O-N 3.15Å; N415-P421 HydrophobicContact CB-CB 4.15Å; N415-R422 PolarHBondContact ND2-O 3.03Å; N415-R422 WeakPolarHBondContact OD1-CB 3.42Å; N415-R422 PolarHBondContact OD1-N 3.15Å
416	R	88.7	Confident	85.5	Confident	179 Å²	179	76 Å²	76	68%	0.675	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-32.7	-169.2	-170.9	176.6	70.3	177	-0.2	114.4	R412 W413	R412-R416 PolarHBondContact O-N 3Å; W413-R416 WeakPolarHBondContact O-CB 3.46Å; W413-R416 PolarHBondContact O-N 3.06Å
417	N	88.3	Confident	85	Confident	138 Å²	138	76 Å²	76	74%	0.738	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	17.8	-174.5	-63.6	-9.5	0	0	0	112.8	N415	N415-N417 PolarHBondContact O-N 2.81Å
418	L	84.9	Confident	84.8	Confident	69 Å²	69	75.2 Å²	75.2	36%	0.361	36%	0.359	S	S	.	.			trans	-96.9	137.4	179.1	-63.7	-178.3	0	0	0	110.6	N415 R422	N415-L418 PolarHBondContact O-N 3.15Å; L418-R422 HydrophobicContact CD1-CG 3.99Å
419	T	83.6	Confident	84.6	Confident	156 Å²	156	77.4 Å²	77.4	96%	0.957	37%	0.369	S	S	*	.	S	Bend	trans	-69.7	-35	174.3	47.7	0	0	0	0	111.9
420	S	82.9	Confident	84.5	Confident	90 Å²	90	75.2 Å²	75.2	63%	0.629	36%	0.364	S	S	*	.	S	Bend	trans	-114.9	108.8	169.2	-172.7	0	0	0	0	109.1	R422	S420-R422 PolarHBondContact O-N 2.81Å
421	P	77	Confident	84.5	Confident	86 Å²	86	75.3 Å²	75.3	56%	0.558	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-59.9	131.8	175.9	-23.6	34.3	0	0	0	111.3	N415	N415-P421 HydrophobicContact CB-CB 4.15Å
422	R	78.6	Confident	84.8	Confident	92 Å²	92	73.6 Å²	73.6	35%	0.347	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-68.2	148.1	169.2	-66.7	176.6	-170.7	166.7	3.3	109.9	N415 L418 S420 E426 V427 A430	N415-R422 PolarHBondContact ND2-O 3.03Å; N415-R422 WeakPolarHBondContact OD1-CB 3.42Å; N415-R422 PolarHBondContact OD1-N 3.15Å; L418-R422 HydrophobicContact CD1-CG 3.99Å; S420-R422 PolarHBondContact O-N 2.81Å; R422-E426 VanDerWaalsContact CA-OE2 3.3Å; R422-E426 WeakPolarHBondContact CA-OE2 3.28Å; R422-E426 HydrophobicContact CB-CB 3.91Å; R422-E426 HydrophobicContact CG-CB 4.36Å; R422-V427 HydrophobicContact CB-CG2 3.84Å; R422-A430 VanDerWaalsContact NH1-CB 3.34Å
423	D	72	Confident	84.9	Confident	16 Å²	16	71.6 Å²	71.6	9%	0.086	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-75.7	171.9	169.1	68.7	46.4	0	0	0	113.3	R118 E425 E426 V427	R118-D423 VanDerWaalsContact NH1-CB 3.3Å; D423-E425 VanDerWaalsContact C-N 3.27Å; D423-E425 PolarHBondContact O-N 3.09Å; D423-E425 WeakPolarHBondContact OD1-CA 3.49Å; D423-E425 WeakPolarHBondContact OD1-CB 3.49Å; D423-E425 PolarHBondContact OD1-N 2.69Å; D423-E426 PolarHBondContact N-OE2 3.11Å; D423-E426 VanDerWaalsContact N-OE2 3.09Å; D423-E426 PolarHBondContact O-N 2.79Å; D423-E426 WeakPolarHBondContact OD1-CB 3.1Å; D423-E426 WeakPolarHBondContact OD1-CG 3.47Å; D423-E426 PolarHBondContact OD1-N 2.8Å; D423-V427 WeakPolarHBondContact O-CB 3.27Å; D423-V427 WeakPolarHBondContact O-CG2 3.46Å; D423-V427 PolarHBondContact O-N 2.94Å
424	M	75.8	Confident	85	Confident	19 Å²	19	70.1 Å²	70.1	9%	0.094	35%	0.347	C	S	.	.	H	α-helix	trans	-58.2	-38.5	179.7	-169.7	59.9	64.7	0	0	113	L407 E411 V427 I428	L407-M424 HydrophobicContact CB-CE 3.93Å; L407-M424 HydrophobicContact CB-SD 3.7Å; L407-M424 HydrophobicContact CD2-SD 4.09Å; L407-M424 HydrophobicContact CG-SD 4.34Å; E411-M424 HydrophobicContact CB-CE 3.63Å; E411-M424 HydrophobicContact CB-SD 4.15Å; E411-M424 VanDerWaalsContact CD-CE 3.5Å; E411-M424 HydrophobicContact CG-CE 4.1Å; E411-M424 VanDerWaalsContact OE2-CE 3.28Å; E411-M424 WeakPolarHBondContact OE2-CE 3.35Å; M424-V427 PolarHBondContact O-N 2.89Å; M424-I428 HydrophobicContact CG-CD1 3.9Å; M424-I428 HydrophobicContact CG-CG1 4.48Å; M424-I428 WeakPolarHBondContact O-CB 3.24Å; M424-I428 WeakPolarHBondContact O-CD1 3.38Å; M424-I428 WeakPolarHBondContact O-CG1 3.17Å; M424-I428 PolarHBondContact O-N 3.01Å; M424-I428 HydrophobicContact SD-CD1 4.47Å
425	E	76.4	Confident	85	Confident	93 Å²	93	76.3 Å²	76.3	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-70.8	-43.5	-177.9	-174.2	62.6	-158.8	0	0	110.3	H396 D423 V427 I428 Y429	H396-E425 IonicContact CE1-OE1 3.17Å; H396-E425 PolarHBondContact CE1-OE1 3.18Å; H396-E425 IonicContact NE2-OE1 3.82Å; H396-E425 PolarHBondContact NE2-OE1 2.86Å; H396-E425 VanDerWaalsContact NE2-OE1 3.11Å; D423-E425 VanDerWaalsContact C-N 3.27Å; D423-E425 PolarHBondContact O-N 3.09Å; D423-E425 WeakPolarHBondContact OD1-CA 3.49Å; D423-E425 WeakPolarHBondContact OD1-CB 3.49Å; D423-E425 PolarHBondContact OD1-N 2.69Å; E425-V427 VanDerWaalsContact C-N 3.32Å; E425-V427 PolarHBondContact O-N 2.76Å; E425-I428 PolarHBondContact O-N 3.46Å; E425-Y429 VanDerWaalsContact O-CB 3.27Å; E425-Y429 WeakPolarHBondContact O-CB 3.39Å; E425-Y429 PolarHBondContact O-N 2.93Å
426	E	80.9	Confident	85.1	Confident	80 Å²	80	79.4 Å²	79.4	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-36.5	172.6	-70.8	175	165.5	0	0	112.1	K120 R422 D423 A430	K120-E426 IonicContact NZ-OE1 2.82Å; R422-E426 VanDerWaalsContact CA-OE2 3.3Å; R422-E426 WeakPolarHBondContact CA-OE2 3.28Å; R422-E426 HydrophobicContact CB-CB 3.91Å; R422-E426 HydrophobicContact CG-CB 4.36Å; D423-E426 PolarHBondContact N-OE2 3.11Å; D423-E426 VanDerWaalsContact N-OE2 3.09Å; D423-E426 PolarHBondContact O-N 2.79Å; D423-E426 WeakPolarHBondContact OD1-CB 3.1Å; D423-E426 WeakPolarHBondContact OD1-CG 3.47Å; D423-E426 PolarHBondContact OD1-N 2.8Å; E426-A430 VanDerWaalsContact O-CB 3.24Å; E426-A430 WeakPolarHBondContact O-CB 3.41Å; E426-A430 PolarHBondContact O-N 3.46Å
427	V	83.8	Confident	85.3	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-65.2	-48.7	172.9	164.6	0	0	0	0	110.4	E411 M414 R422 D423 M424 E425 Y429 A430 L431	E411-V427 HydrophobicContact CB-CG1 4.45Å; E411-V427 HydrophobicContact CB-CG2 4.34Å; E411-V427 HydrophobicContact CG-CG2 4.24Å; M414-V427 HydrophobicContact CB-CG1 4.33Å; M414-V427 HydrophobicContact CB-CG2 4.11Å; M414-V427 HydrophobicContact CG-CG1 4.09Å; R422-V427 HydrophobicContact CB-CG2 3.84Å; D423-V427 WeakPolarHBondContact O-CB 3.27Å; D423-V427 WeakPolarHBondContact O-CG2 3.46Å; D423-V427 PolarHBondContact O-N 2.94Å; M424-V427 PolarHBondContact O-N 2.89Å; E425-V427 VanDerWaalsContact C-N 3.32Å; E425-V427 PolarHBondContact O-N 2.76Å; V427-Y429 VanDerWaalsContact C-N 3.34Å; V427-Y429 PolarHBondContact O-N 2.8Å; V427-A430 PolarHBondContact O-N 2.93Å; V427-L431 HydrophobicContact CG1-CD1 3.67Å; V427-L431 HydrophobicContact CG1-CG 4.31Å; V427-L431 WeakPolarHBondContact O-CB 3.24Å; V427-L431 VanDerWaalsContact O-CG 3.23Å; V427-L431 WeakPolarHBondContact O-CG 3.41Å; V427-L431 PolarHBondContact O-N 3.41Å
428	I	85.9	Confident	85.6	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-61.8	-43.8	177.7	-70.2	163.9	0	0	0	110.3	L399 A400 L407 M424 E425 L431 S432	L399-I428 HydrophobicContact CB-CG1 4.47Å; L399-I428 HydrophobicContact CB-CG2 3.73Å; L399-I428 HydrophobicContact CD1-CG2 4.35Å; A400-I428 HydrophobicContact CB-CD1 4.28Å; L407-I428 HydrophobicContact CD2-CD1 4.1Å; L407-I428 HydrophobicContact CD2-CG1 4.16Å; M424-I428 HydrophobicContact CG-CD1 3.9Å; M424-I428 HydrophobicContact CG-CG1 4.48Å; M424-I428 WeakPolarHBondContact O-CB 3.24Å; M424-I428 WeakPolarHBondContact O-CD1 3.38Å; M424-I428 WeakPolarHBondContact O-CG1 3.17Å; M424-I428 PolarHBondContact O-N 3.01Å; M424-I428 HydrophobicContact SD-CD1 4.47Å; E425-I428 PolarHBondContact O-N 3.46Å; I428-L431 PolarHBondContact O-N 2.76Å; I428-S432 WeakPolarHBondContact O-CB 3.27Å; I428-S432 PolarHBondContact O-N 3.18Å
429	Y	84.7	Confident	86.1	Confident	136 Å²	136	69 Å²	69	53%	0.533	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-43.4	175.7	-178.9	-92.2	0	0	0	112.6	E425 V427 S432	E425-Y429 VanDerWaalsContact O-CB 3.27Å; E425-Y429 WeakPolarHBondContact O-CB 3.39Å; E425-Y429 PolarHBondContact O-N 2.93Å; V427-Y429 VanDerWaalsContact C-N 3.34Å; V427-Y429 PolarHBondContact O-N 2.8Å; Y429-S432 PolarHBondContact O-OG 3.32Å; Y429-S432 VanDerWaalsContact O-OG 3.11Å
430	A	91.3	Very high	86.6	Confident	24 Å²	24	62.6 Å²	62.6	20%	0.198	32%	0.315	C	S	.	.	H	α-helix	trans	-66.1	-44.3	176.3	0	0	0	0	0	111.5	M414 R422 E426 V427 R433 D434	M414-A430 HydrophobicContact CE-CB 4.31Å; R422-A430 VanDerWaalsContact NH1-CB 3.34Å; E426-A430 VanDerWaalsContact O-CB 3.24Å; E426-A430 WeakPolarHBondContact O-CB 3.41Å; E426-A430 PolarHBondContact O-N 3.46Å; V427-A430 PolarHBondContact O-N 2.93Å; A430-R433 PolarHBondContact O-N 3.45Å; A430-D434 PolarHBondContact O-N 2.82Å
431	L	93.9	Very high	87.3	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-39	179	-74.6	171.1	0	0	0	112	L399 L410 M414 V427 I428 R433 D434 S437 L440	L399-L431 HydrophobicContact CD1-CB 3.82Å; L410-L431 HydrophobicContact CB-CD1 3.98Å; L410-L431 HydrophobicContact CD1-CD1 4.12Å; L410-L431 HydrophobicContact CD2-CD1 4.25Å; L410-L431 HydrophobicContact CG-CD1 4.34Å; M414-L431 HydrophobicContact CE-CD2 4.45Å; M414-L431 HydrophobicContact CG-CD2 4.25Å; M414-L431 HydrophobicContact CG-CG 4.42Å; M414-L431 HydrophobicContact SD-CD2 3.91Å; V427-L431 HydrophobicContact CG1-CD1 3.67Å; V427-L431 HydrophobicContact CG1-CG 4.31Å; V427-L431 WeakPolarHBondContact O-CB 3.24Å; V427-L431 VanDerWaalsContact O-CG 3.23Å; V427-L431 WeakPolarHBondContact O-CG 3.41Å; V427-L431 PolarHBondContact O-N 3.41Å; I428-L431 PolarHBondContact O-N 2.76Å; L431-R433 PolarHBondContact O-N 2.75Å; L431-D434 WeakPolarHBondContact O-CB 3.1Å; L431-D434 PolarHBondContact O-N 3.4Å; L431-S437 WeakPolarHBondContact O-CB 3.32Å; L431-L440 HydrophobicContact CD2-CB 4.4Å; L431-L440 HydrophobicContact CD2-CD1 3.34Å; L431-L440 HydrophobicContact CD2-CG 4.48Å
432	S	92.2	Very high	88.2	Confident	6 Å²	6	56.7 Å²	56.7	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-16.2	-179.6	77.5	0	0	0	0	113.6	A392 I428 Y429	A392-S432 VanDerWaalsContact CA-O 3.32Å; A392-S432 WeakPolarHBondContact CA-O 3.28Å; A392-S432 WeakPolarHBondContact CB-O 3.42Å; A392-S432 VanDerWaalsContact O-CB 3.24Å; A392-S432 WeakPolarHBondContact O-CB 3.39Å; A392-S432 PolarHBondContact O-OG 3.21Å; I428-S432 WeakPolarHBondContact O-CB 3.27Å; I428-S432 PolarHBondContact O-N 3.18Å; Y429-S432 PolarHBondContact O-OG 3.32Å; Y429-S432 VanDerWaalsContact O-OG 3.11Å
433	R	94	Very high	89	Confident	166 Å²	166	56 Å²	56	63%	0.626	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-1	175.8	-57.7	179.2	66.7	77.1	1.1	112.9	A392 A430 L431	A392-R433 HydrophobicContact CB-CG 3.92Å; A430-R433 PolarHBondContact O-N 3.45Å; L431-R433 PolarHBondContact O-N 2.75Å
434	D	92.2	Very high	90.2	Very high	50 Å²	50	55.2 Å²	55.2	27%	0.267	27%	0.266	S	S	.	.			trans	-90.5	126	178.4	-166.7	-26.3	0	0	0	110.1	A430 L431 N436 S437	A430-D434 PolarHBondContact O-N 2.82Å; L431-D434 WeakPolarHBondContact O-CB 3.1Å; L431-D434 PolarHBondContact O-N 3.4Å; D434-N436 PolarHBondContact O-N 2.55Å; D434-N436 WeakPolarHBondContact OD1-CB 3.27Å; D434-N436 PolarHBondContact OD1-N 3.11Å; D434-N436 PolarHBondContact OD1-ND2 3.47Å; D434-S437 VanDerWaalsContact O-CB 3.23Å; D434-S437 WeakPolarHBondContact O-CB 3.4Å; D434-S437 PolarHBondContact O-N 3.48Å; D434-S437 VanDerWaalsContact O-N 3.12Å; D434-S437 PolarHBondContact O-OG 3.49Å
435	L	89.4	Confident	91.2	Very high	172 Å²	172	54.3 Å²	54.3	90%	0.901	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.6	176.4	-64	174.5	0	0	0	112.4
436	N	91.5	Very high	92.2	Very high	88 Å²	88	53.4 Å²	53.4	47%	0.471	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	6.5	179.8	-54.8	-60.3	0	0	0	113.2	D434 S438 E439 L440	D434-N436 PolarHBondContact O-N 2.55Å; D434-N436 WeakPolarHBondContact OD1-CB 3.27Å; D434-N436 PolarHBondContact OD1-N 3.11Å; D434-N436 PolarHBondContact OD1-ND2 3.47Å; N436-S438 VanDerWaalsContact C-N 3.27Å; N436-S438 PolarHBondContact O-N 3.07Å; N436-E439 WeakPolarHBondContact O-CB 3.36Å; N436-E439 PolarHBondContact O-N 3.06Å; N436-L440 WeakPolarHBondContact O-CG 3.3Å; N436-L440 PolarHBondContact O-N 3.35Å
437	S	92.9	Very high	92.9	Very high	10 Å²	10	53 Å²	53	7%	0.07	26%	0.255	C	S	.	.	H	α-helix	trans	-51.7	-44	-175.9	55.5	0	0	0	0	113.6	L431 D434 E439 L440 V441	L431-S437 WeakPolarHBondContact O-CB 3.32Å; D434-S437 VanDerWaalsContact O-CB 3.23Å; D434-S437 WeakPolarHBondContact O-CB 3.4Å; D434-S437 PolarHBondContact O-N 3.48Å; D434-S437 VanDerWaalsContact O-N 3.12Å; D434-S437 PolarHBondContact O-OG 3.49Å; S437-E439 PolarHBondContact O-N 2.8Å; S437-L440 PolarHBondContact O-N 3.03Å; S437-V441 VanDerWaalsContact O-CG2 3.31Å; S437-V441 WeakPolarHBondContact O-CG2 3.39Å; S437-V441 PolarHBondContact O-N 3.23Å
438	S	94.1	Very high	93.5	Very high	44 Å²	44	53.4 Å²	53.4	31%	0.308	26%	0.256	S	S	.	.	H	α-helix	trans	-58.7	-45.1	175.9	-165.6	0	0	0	0	112.2	L316 L317 N436 L440 V441 E442	L316-S438 WeakPolarHBondContact O-CB 3.34Å; L316-S438 PolarHBondContact O-OG 3.39Å; L317-S438 WeakPolarHBondContact CD2-O 3.45Å; L317-S438 VanDerWaalsContact CD2-OG 3.3Å; L317-S438 WeakPolarHBondContact CD2-OG 3.38Å; N436-S438 VanDerWaalsContact C-N 3.27Å; N436-S438 PolarHBondContact O-N 3.07Å; S438-L440 PolarHBondContact O-N 3.45Å; S438-V441 PolarHBondContact O-N 3.44Å; S438-E442 WeakPolarHBondContact O-CB 3.43Å; S438-E442 PolarHBondContact O-N 3.11Å
439	E	94.1	Very high	93.9	Very high	114 Å²	114	53.2 Å²	53.2	53%	0.533	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-38.8	177.8	-167.7	-172	164.4	0	0	111.9	N436 S437 E442 K443	N436-E439 WeakPolarHBondContact O-CB 3.36Å; N436-E439 PolarHBondContact O-N 3.06Å; S437-E439 PolarHBondContact O-N 2.8Å; E439-E442 PolarHBondContact O-N 2.88Å; E439-K443 VanDerWaalsContact O-CB 3.25Å; E439-K443 WeakPolarHBondContact O-CB 3.42Å; E439-K443 PolarHBondContact O-N 3.21Å
440	L	95.3	Very high	94.4	Very high	20 Å²	20	50.5 Å²	50.5	11%	0.105	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-44.8	176.8	-63.2	178.3	0	0	0	111.3	L410 W413 M414 L431 N436 S437 S438 K443 A444	L410-L440 HydrophobicContact CD2-CB 3.92Å; W413-L440 HydrophobicContact CD2-CD2 4.33Å; W413-L440 HydrophobicContact CE3-CD2 4.01Å; W413-L440 HydrophobicContact CH2-CD2 3.06Å; W413-L440 HydrophobicContact CH2-CG 4.44Å; W413-L440 HydrophobicContact CZ2-CD2 3.51Å; W413-L440 HydrophobicContact CZ3-CB 4.39Å; W413-L440 HydrophobicContact CZ3-CD2 3.38Å; W413-L440 HydrophobicContact CZ3-CG 4.49Å; M414-L440 HydrophobicContact SD-CD1 4.33Å; L431-L440 HydrophobicContact CD2-CB 4.4Å; L431-L440 HydrophobicContact CD2-CD1 3.34Å; L431-L440 HydrophobicContact CD2-CG 4.48Å; N436-L440 WeakPolarHBondContact O-CG 3.3Å; N436-L440 PolarHBondContact O-N 3.35Å; S437-L440 PolarHBondContact O-N 3.03Å; S438-L440 PolarHBondContact O-N 3.45Å; L440-K443 PolarHBondContact O-N 3.08Å; L440-A444 WeakPolarHBondContact O-CB 3.35Å; L440-A444 PolarHBondContact O-N 3.4Å
441	V	96.8	Very high	94.5	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-48.6	174.7	172.3	0	0	0	0	110.3	L317 L399 L402 L410 S437 S438 K443 A444 I445	L317-V441 HydrophobicContact CD2-CB 4.35Å; L317-V441 HydrophobicContact CD2-CG1 4.26Å; L399-V441 HydrophobicContact CD2-CG2 3.65Å; L402-V441 HydrophobicContact CD1-CG1 4.08Å; L402-V441 HydrophobicContact CD1-CG2 4.06Å; L410-V441 HydrophobicContact CD1-CG2 4.09Å; S437-V441 VanDerWaalsContact O-CG2 3.31Å; S437-V441 WeakPolarHBondContact O-CG2 3.39Å; S437-V441 PolarHBondContact O-N 3.23Å; S438-V441 PolarHBondContact O-N 3.44Å; V441-K443 VanDerWaalsContact C-N 3.32Å; V441-K443 PolarHBondContact O-N 2.99Å; V441-A444 WeakPolarHBondContact O-CB 3.37Å; V441-A444 PolarHBondContact O-N 2.99Å; V441-I445 HydrophobicContact CG1-CD1 4Å; V441-I445 WeakPolarHBondContact O-CG1 3.5Å; V441-I445 PolarHBondContact O-N 3.02Å
442	E	96.5	Very high	94.5	Very high	52 Å²	52	57.4 Å²	57.4	24%	0.243	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-44.2	178.4	-168.9	-178.3	147.8	0	0	111.3	L317 I337 S438 E439 A444 I445 R446	L317-E442 HydrophobicContact CD1-CB 4.36Å; L317-E442 HydrophobicContact CD1-CG 4.4Å; L317-E442 HydrophobicContact CD2-CB 3.92Å; I337-E442 HydrophobicContact CD1-CG 3.95Å; I337-E442 HydrophobicContact CG2-CG 3.89Å; I337-E442 WeakPolarHBondContact CG2-OE1 3.43Å; S438-E442 WeakPolarHBondContact O-CB 3.43Å; S438-E442 PolarHBondContact O-N 3.11Å; E439-E442 PolarHBondContact O-N 2.88Å; E442-A444 PolarHBondContact O-N 2.97Å; E442-I445 PolarHBondContact O-N 2.92Å; E442-R446 VanDerWaalsContact CD-NH2 3.3Å; E442-R446 VanDerWaalsContact O-CB 3.3Å; E442-R446 WeakPolarHBondContact O-CB 3.36Å; E442-R446 PolarHBondContact O-N 3.46Å; E442-R446 IonicContact OE1-CZ 3.29Å; E442-R446 IonicContact OE1-NH2 2.83Å; E442-R446 PolarHBondContact OE1-NH2 3.14Å
443	K	96	Very high	94.5	Very high	76 Å²	76	57.3 Å²	57.3	33%	0.33	27%	0.267	S	S	.	.	H	α-helix	trans	-67.4	-34.7	178	177.6	160.5	156.6	-165.2	0	112.4	W413 E439 L440 V441 N447	W413-K443 HydrophobicContact CH2-CB 4.36Å; W413-K443 HydrophobicContact CH2-CD 3.31Å; W413-K443 HydrophobicContact CH2-CG 4.01Å; W413-K443 HydrophobicContact CZ2-CD 4.31Å; W413-K443 HydrophobicContact CZ3-CB 3.89Å; W413-K443 HydrophobicContact CZ3-CD 3.48Å; W413-K443 VanDerWaalsContact CZ3-CD 3.48Å; W413-K443 HydrophobicContact CZ3-CG 3.61Å; E439-K443 VanDerWaalsContact O-CB 3.25Å; E439-K443 WeakPolarHBondContact O-CB 3.42Å; E439-K443 PolarHBondContact O-N 3.21Å; L440-K443 PolarHBondContact O-N 3.08Å; V441-K443 VanDerWaalsContact C-N 3.32Å; V441-K443 PolarHBondContact O-N 2.99Å; K443-N447 WeakPolarHBondContact O-CB 3.37Å; K443-N447 PolarHBondContact O-N 2.99Å; K443-N447 PolarHBondContact O-ND2 3.23Å
444	A	96.4	Very high	94.3	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-48.7	172.8	0	0	0	0	0	110.9	V406 K409 L410 L440 V441 E442 N447 I448	V406-A444 HydrophobicContact CG1-CB 4.02Å; K409-A444 HydrophobicContact CB-CB 3.98Å; K409-A444 WeakPolarHBondContact CD-O 3.14Å; L410-A444 HydrophobicContact CD2-CB 4.06Å; L410-A444 HydrophobicContact CG-CB 4.09Å; L440-A444 WeakPolarHBondContact O-CB 3.35Å; L440-A444 PolarHBondContact O-N 3.4Å; V441-A444 WeakPolarHBondContact O-CB 3.37Å; V441-A444 PolarHBondContact O-N 2.99Å; E442-A444 PolarHBondContact O-N 2.97Å; A444-N447 PolarHBondContact O-N 3.12Å; A444-I448 WeakPolarHBondContact O-CG1 3.33Å; A444-I448 PolarHBondContact O-N 2.8Å
445	I	97.6	Very high	94.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-48.1	176.1	-69	170.9	0	0	0	110.9	W275 M278 A313 L334 V406 V441 E442 N447 I448 V449	W275-I445 HydrophobicContact CZ3-CD1 3.97Å; W275-I445 HydrophobicContact CZ3-CG1 4.16Å; M278-I445 HydrophobicContact CE-CG2 3.9Å; M278-I445 HydrophobicContact SD-CG2 3.84Å; A313-I445 HydrophobicContact CB-CD1 4.25Å; L334-I445 HydrophobicContact CD2-CD1 4.17Å; V406-I445 HydrophobicContact CG1-CG1 4.24Å; V406-I445 HydrophobicContact CG2-CG1 4.1Å; V441-I445 HydrophobicContact CG1-CD1 4Å; V441-I445 WeakPolarHBondContact O-CG1 3.5Å; V441-I445 PolarHBondContact O-N 3.02Å; E442-I445 PolarHBondContact O-N 2.92Å; I445-N447 VanDerWaalsContact C-N 3.26Å; I445-N447 PolarHBondContact O-N 3.36Å; I445-I448 WeakPolarHBondContact O-CB 3.25Å; I445-I448 PolarHBondContact O-N 3.49Å; I445-V449 HydrophobicContact CG2-CG2 4.32Å; I445-V449 WeakPolarHBondContact O-CG2 3.41Å; I445-V449 PolarHBondContact O-N 3.37Å
446	R	96.3	Very high	94.4	Very high	74 Å²	74	46.3 Å²	46.3	28%	0.279	22%	0.219	S	C	.	.	H	α-helix	trans	-51.8	-45.9	176.6	-170	179.5	-60.4	124.3	1.5	111.7	I337 E442 V449 F450	I337-R446 HydrophobicContact CG2-CB 3.89Å; I337-R446 HydrophobicContact CG2-CG 4Å; E442-R446 VanDerWaalsContact CD-NH2 3.3Å; E442-R446 VanDerWaalsContact O-CB 3.3Å; E442-R446 WeakPolarHBondContact O-CB 3.36Å; E442-R446 PolarHBondContact O-N 3.46Å; E442-R446 IonicContact OE1-CZ 3.29Å; E442-R446 IonicContact OE1-NH2 2.83Å; E442-R446 PolarHBondContact OE1-NH2 3.14Å; R446-V449 PolarHBondContact O-N 2.68Å; R446-F450 WeakPolarHBondContact O-CB 3.29Å; R446-F450 PolarHBondContact O-N 2.81Å
447	N	95.5	Very high	94.3	Very high	72 Å²	72	45.1 Å²	45.1	39%	0.385	22%	0.215	S	C	.	.	H	α-helix	trans	-67.4	-35.1	-180	-79	-55.4	0	0	0	113.3	K409 K443 A444 I445 R451	K409-N447 HydrophobicContact CD-CB 4.28Å; K443-N447 WeakPolarHBondContact O-CB 3.37Å; K443-N447 PolarHBondContact O-N 2.99Å; K443-N447 PolarHBondContact O-ND2 3.23Å; A444-N447 PolarHBondContact O-N 3.12Å; I445-N447 VanDerWaalsContact C-N 3.26Å; I445-N447 PolarHBondContact O-N 3.36Å; N447-R451 WeakPolarHBondContact O-CB 3.37Å; N447-R451 PolarHBondContact O-N 2.91Å
448	I	95.9	Very high	94.1	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-55.1	173.7	-65	172	0	0	0	109.3	W275 M278 N405 V406 K409 A444 I445 F450 R451 A452	W275-I448 VanDerWaalsContact O-CG2 3.28Å; W275-I448 WeakPolarHBondContact O-CG2 3.46Å; M278-I448 HydrophobicContact CB-CG2 4.38Å; M278-I448 HydrophobicContact CG-CG2 3.88Å; M278-I448 HydrophobicContact SD-CB 4.43Å; M278-I448 HydrophobicContact SD-CG2 4.16Å; N405-I448 HydrophobicContact CB-CD1 4.06Å; V406-I448 HydrophobicContact CG2-CD1 3.84Å; K409-I448 HydrophobicContact CD-CD1 4.1Å; K409-I448 HydrophobicContact CD-CG1 3.56Å; A444-I448 WeakPolarHBondContact O-CG1 3.33Å; A444-I448 PolarHBondContact O-N 2.8Å; I445-I448 WeakPolarHBondContact O-CB 3.25Å; I445-I448 PolarHBondContact O-N 3.49Å; I448-F450 VanDerWaalsContact C-N 3.35Å; I448-F450 PolarHBondContact O-N 2.93Å; I448-R451 PolarHBondContact O-N 2.8Å; I448-A452 PolarHBondContact O-N 3Å
449	V	96.2	Very high	93.9	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-43.6	-176.7	174.8	0	0	0	0	111.4	M278 S335 D339 I445 R446 A452 S453	M278-V449 HydrophobicContact CB-CG2 3.95Å; M278-V449 HydrophobicContact CE-CG2 4.31Å; M278-V449 HydrophobicContact CG-CG2 4.46Å; M278-V449 HydrophobicContact SD-CG2 3.79Å; S335-V449 WeakPolarHBondContact O-CG1 3.36Å; D339-V449 HydrophobicContact CB-CG1 4.12Å; I445-V449 HydrophobicContact CG2-CG2 4.32Å; I445-V449 WeakPolarHBondContact O-CG2 3.41Å; I445-V449 PolarHBondContact O-N 3.37Å; R446-V449 PolarHBondContact O-N 2.68Å; V449-A452 PolarHBondContact O-N 2.65Å; V449-S453 WeakPolarHBondContact O-CB 3.44Å; V449-S453 PolarHBondContact O-N 3.47Å; V449-S453 PolarHBondContact O-OG 3.32Å
450	F	94.6	Very high	93.7	Very high	79 Å²	79	41 Å²	41	35%	0.346	20%	0.199	S	C	.	.	H	α-helix	trans	-61.2	-53.3	-179	177.7	-98.1	0	0	0	111.8	G338 W343 R446 I448 A452 S453 F454	G338-F450 WeakPolarHBondContact O-CA 3.3Å; G338-F450 VanDerWaalsContact O-CB 3.3Å; G338-F450 WeakPolarHBondContact O-CB 3.38Å; G338-F450 WeakPolarHBondContact O-CD2 3.4Å; G338-F450 PolarHBondContact O-N 2.89Å; W343-F450 HydrophobicContact CH2-CD2 4.28Å; W343-F450 HydrophobicContact CH2-CE2 4.39Å; W343-F450 HydrophobicContact CZ3-CD2 4.31Å; W343-F450 HydrophobicContact CZ3-CE2 4.04Å; R446-F450 WeakPolarHBondContact O-CB 3.29Å; R446-F450 PolarHBondContact O-N 2.81Å; I448-F450 VanDerWaalsContact C-N 3.35Å; I448-F450 PolarHBondContact O-N 2.93Å; F450-A452 VanDerWaalsContact C-N 3.3Å; F450-A452 PolarHBondContact O-N 3.34Å; F450-S453 PolarHBondContact O-N 3.17Å; F450-F454 WeakPolarHBondContact O-CB 3.42Å; F450-F454 PolarHBondContact O-N 3.46Å
451	R	93.3	Very high	93.2	Very high	169 Å²	169	42.2 Å²	42.2	64%	0.638	21%	0.212	S	C	*	.	H	α-helix	trans	-55.5	-48.5	-179.9	-177.5	-177.2	-179.5	-168	2.1	110.9	N447 I448 C455	N447-R451 WeakPolarHBondContact O-CB 3.37Å; N447-R451 PolarHBondContact O-N 2.91Å; I448-R451 PolarHBondContact O-N 2.8Å; R451-C455 WeakPolarHBondContact O-CB 3.37Å; R451-C455 PolarHBondContact O-N 3.04Å; R451-C455 PolarHBondContact O-SG 3.14Å
452	A	93.5	Very high	92.7	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-66.6	-49.1	-178.9	0	0	0	0	0	112.7	A243 S277 I448 V449 F450 F454 C455 Q456	A243-A452 HydrophobicContact CB-CB 4.46Å; S277-A452 WeakPolarHBondContact O-CB 3.44Å; I448-A452 PolarHBondContact O-N 3Å; V449-A452 PolarHBondContact O-N 2.65Å; F450-A452 VanDerWaalsContact C-N 3.3Å; F450-A452 PolarHBondContact O-N 3.34Å; A452-F454 PolarHBondContact O-N 2.87Å; A452-C455 PolarHBondContact O-N 2.75Å; A452-Q456 WeakPolarHBondContact O-CB 3.26Å; A452-Q456 PolarHBondContact O-N 3.18Å
453	S	91.8	Very high	92.2	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.028	22%	0.218	C	C	.	.	H	α-helix	trans	-67.7	-37.8	-176	-66.8	0	0	0	0	112.3	V449 F450 T457	V449-S453 WeakPolarHBondContact O-CB 3.44Å; V449-S453 PolarHBondContact O-N 3.47Å; V449-S453 PolarHBondContact O-OG 3.32Å; F450-S453 PolarHBondContact O-N 3.17Å; S453-T457 VanDerWaalsContact O-CB 3.31Å; S453-T457 WeakPolarHBondContact O-CB 3.32Å; S453-T457 PolarHBondContact O-N 3.49Å; S453-T457 PolarHBondContact O-OG1 2.83Å
454	F	90.5	Very high	91.6	Very high	122 Å²	122	40.1 Å²	40.1	54%	0.535	21%	0.207	S	C	.	.	H	α-helix	trans	-63	-55.7	174.2	-178.8	-96.6	0	0	0	111.1	F450 A452 Q456 T457 A458	F450-F454 WeakPolarHBondContact O-CB 3.42Å; F450-F454 PolarHBondContact O-N 3.46Å; A452-F454 PolarHBondContact O-N 2.87Å; F454-Q456 VanDerWaalsContact C-N 3.32Å; F454-Q456 PolarHBondContact O-N 3.4Å; F454-T457 PolarHBondContact O-N 3.2Å; F454-T457 VanDerWaalsContact O-N 3.13Å; F454-A458 PolarHBondContact O-N 3.14Å; F454-A458 VanDerWaalsContact O-N 3.08Å
455	C	92.5	Very high	90.8	Very high	36 Å²	36	40.8 Å²	40.8	24%	0.243	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-40.9	179.5	-70.3	0	0	0	0	112.4	I241 P242 R451 A452 A458 K459	I241-C455 HydrophobicContact CG2-CB 3.89Å; P242-C455 HydrophobicContact CB-CB 4.14Å; P242-C455 HydrophobicContact CG-CB 4.15Å; R451-C455 WeakPolarHBondContact O-CB 3.37Å; R451-C455 PolarHBondContact O-N 3.04Å; R451-C455 PolarHBondContact O-SG 3.14Å; A452-C455 PolarHBondContact O-N 2.75Å; C455-A458 PolarHBondContact O-N 3.08Å; C455-K459 WeakPolarHBondContact O-CB 3.33Å; C455-K459 PolarHBondContact O-N 3.13Å
456	Q	92.1	Very high	89.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-33.9	178.3	-172.5	65.4	42.3	0	0	112	P242 A243 L245 Y279 A452 F454 K459 N460	P242-Q456 PolarHBondContact O-OE1 3.23Å; A243-Q456 HydrophobicContact CB-CB 4.26Å; A243-Q456 HydrophobicContact CB-CG 4.44Å; L245-Q456 PolarHBondContact O-NE2 3.42Å; Y279-Q456 HydrophobicContact CD2-CB 4.22Å; Y279-Q456 HydrophobicContact CD2-CG 4.25Å; Y279-Q456 HydrophobicContact CE1-CG 3.98Å; Y279-Q456 HydrophobicContact CE2-CB 3.74Å; Y279-Q456 HydrophobicContact CE2-CG 3.59Å; Y279-Q456 VanDerWaalsContact CZ-CG 3.41Å; A452-Q456 WeakPolarHBondContact O-CB 3.26Å; A452-Q456 PolarHBondContact O-N 3.18Å; F454-Q456 VanDerWaalsContact C-N 3.32Å; F454-Q456 PolarHBondContact O-N 3.4Å; Q456-K459 PolarHBondContact O-N 3.42Å; Q456-N460 PolarHBondContact NE2-OD1 2.83Å; Q456-N460 VanDerWaalsContact O-CB 3.31Å; Q456-N460 WeakPolarHBondContact O-CB 3.39Å; Q456-N460 PolarHBondContact O-N 3.23Å; Q456-N460 PolarHBondContact O-ND2 3.02Å; Q456-N460 PolarHBondContact O-OD1 3.48Å
457	T	87.9	Confident	89	Confident	63 Å²	63	53.5 Å²	53.5	39%	0.387	27%	0.268	S	S	.	.	H	α-helix	trans	-64.5	-45.9	175	-61.3	0	0	0	0	110.9	S453 F454 N460 A461	S453-T457 VanDerWaalsContact O-CB 3.31Å; S453-T457 WeakPolarHBondContact O-CB 3.32Å; S453-T457 PolarHBondContact O-N 3.49Å; S453-T457 PolarHBondContact O-OG1 2.83Å; F454-T457 PolarHBondContact O-N 3.2Å; F454-T457 VanDerWaalsContact O-N 3.13Å; T457-N460 PolarHBondContact O-N 3.44Å; T457-A461 PolarHBondContact O-N 2.83Å; T457-A461 VanDerWaalsContact O-N 3.13Å
458	A	88.4	Confident	88.4	Confident	53 Å²	53	53 Å²	53	44%	0.438	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-44.7	173.8	0	0	0	0	0	112.1	F454 C455 N460 A461	F454-A458 PolarHBondContact O-N 3.14Å; F454-A458 VanDerWaalsContact O-N 3.08Å; C455-A458 PolarHBondContact O-N 3.08Å; A458-N460 VanDerWaalsContact C-N 3.32Å; A458-N460 PolarHBondContact O-N 2.75Å; A458-A461 VanDerWaalsContact O-CB 3.29Å; A458-A461 WeakPolarHBondContact O-CB 3.38Å; A458-A461 PolarHBondContact O-N 3.28Å; A458-A461 VanDerWaalsContact O-N 3.13Å
459	K	90.5	Very high	87.4	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-38.4	175.3	176.7	168.5	48.9	171.8	0	112.6	F237 Q238 I241 L245 C455 Q456 A461 I462 S463	F237-K459 HydrophobicContact CD1-CD 4.43Å; F237-K459 HydrophobicContact CE1-CD 3.88Å; F237-K459 HydrophobicContact CE1-CG 3.59Å; F237-K459 HydrophobicContact CZ-CD 4.19Å; F237-K459 HydrophobicContact CZ-CG 3.69Å; Q238-K459 PolarHBondContact O-NZ 3.19Å; I241-K459 HydrophobicContact CB-CD 3.99Å; I241-K459 HydrophobicContact CD1-CB 4.14Å; I241-K459 HydrophobicContact CD1-CD 3.97Å; I241-K459 HydrophobicContact CD1-CG 4.22Å; I241-K459 HydrophobicContact CG1-CD 4.47Å; I241-K459 HydrophobicContact CG2-CB 4.26Å; I241-K459 HydrophobicContact CG2-CD 4.18Å; L245-K459 WeakPolarHBondContact O-CE 3.46Å; L245-K459 PolarHBondContact O-NZ 3.43Å; C455-K459 WeakPolarHBondContact O-CB 3.33Å; C455-K459 PolarHBondContact O-N 3.13Å; Q456-K459 PolarHBondContact O-N 3.42Å; K459-A461 VanDerWaalsContact C-N 3.25Å; K459-A461 PolarHBondContact O-N 2.91Å; K459-I462 PolarHBondContact O-N 3.18Å; K459-S463 PolarHBondContact O-N 3.37Å; K459-S463 PolarHBondContact O-OG 3.36Å
460	N	89.4	Confident	86.4	Confident	27 Å²	27	59 Å²	59	14%	0.144	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-30.4	176.8	-71.7	-12.1	0	0	0	111.8	C247 Q456 T457 A458 I462 S463 A464	C247-N460 VanDerWaalsContact CB-OD1 3.23Å; C247-N460 WeakPolarHBondContact CB-OD1 3.43Å; Q456-N460 PolarHBondContact NE2-OD1 2.83Å; Q456-N460 VanDerWaalsContact O-CB 3.31Å; Q456-N460 WeakPolarHBondContact O-CB 3.39Å; Q456-N460 PolarHBondContact O-N 3.23Å; Q456-N460 PolarHBondContact O-ND2 3.02Å; Q456-N460 PolarHBondContact O-OD1 3.48Å; T457-N460 PolarHBondContact O-N 3.44Å; A458-N460 VanDerWaalsContact C-N 3.32Å; A458-N460 PolarHBondContact O-N 2.75Å; N460-I462 VanDerWaalsContact C-N 3.29Å; N460-I462 PolarHBondContact O-N 3.19Å; N460-S463 WeakPolarHBondContact CA-OG 3.4Å; N460-A464 WeakPolarHBondContact O-CB 3.4Å; N460-A464 PolarHBondContact O-N 2.83Å
461	A	86.3	Confident	85.7	Confident	45 Å²	45	57.3 Å²	57.3	37%	0.372	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-41	173.6	0	0	0	0	0	111.7	T457 A458 K459 G465 S469	T457-A461 PolarHBondContact O-N 2.83Å; T457-A461 VanDerWaalsContact O-N 3.13Å; A458-A461 VanDerWaalsContact O-CB 3.29Å; A458-A461 WeakPolarHBondContact O-CB 3.38Å; A458-A461 PolarHBondContact O-N 3.28Å; A458-A461 VanDerWaalsContact O-N 3.13Å; K459-A461 VanDerWaalsContact C-N 3.25Å; K459-A461 PolarHBondContact O-N 2.91Å; A461-G465 PolarHBondContact O-N 3.42Å; A461-S469 VanDerWaalsContact CA-OG 3.27Å; A461-S469 WeakPolarHBondContact CA-OG 3.11Å; A461-S469 PolarHBondContact O-OG 3.2Å
462	I	86.1	Confident	84.9	Confident	74 Å²	74	51.9 Å²	51.9	38%	0.379	28%	0.276	S	S	.	.	H	α-helix	trans	-79.1	-46.1	-178.9	-57.9	165.2	0	0	0	111.5	S224 F225 L226 F237 K459 N460 G465	S224-I462 PolarHBondContact OG-O 2.98Å; F225-I462 HydrophobicContact CE1-CG2 4.35Å; F225-I462 HydrophobicContact CZ-CG2 4.13Å; L226-I462 HydrophobicContact CD1-CG2 4.23Å; L226-I462 HydrophobicContact CD2-CG2 4.35Å; F237-I462 HydrophobicContact CZ-CB 4.26Å; F237-I462 HydrophobicContact CZ-CG2 4.18Å; K459-I462 PolarHBondContact O-N 3.18Å; N460-I462 VanDerWaalsContact C-N 3.29Å; N460-I462 PolarHBondContact O-N 3.19Å; I462-G465 PolarHBondContact O-N 2.69Å
463	S	86.4	Confident	84.1	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-72.1	-31	-176.3	50	0	0	0	0	113.9	S224 K459 N460	S224-S463 VanDerWaalsContact CB-O 3.23Å; S224-S463 WeakPolarHBondContact CB-O 3.25Å; S224-S463 PolarHBondContact OG-O 2.9Å; K459-S463 PolarHBondContact O-N 3.37Å; K459-S463 PolarHBondContact O-OG 3.36Å; N460-S463 WeakPolarHBondContact CA-OG 3.4Å
464	A	83	Confident	83.4	Confident	11 Å²	11	60.5 Å²	60.5	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-77.2	-31.9	171.2	0	0	0	0	0	112.1	T249 N460 K468	T249-A464 HydrophobicContact CG2-CB 3.51Å; N460-A464 WeakPolarHBondContact O-CB 3.4Å; N460-A464 PolarHBondContact O-N 2.83Å; A464-K468 HydrophobicContact CB-CB 4.04Å; A464-K468 WeakPolarHBondContact O-CD 3.39Å
465	G	79.5	Confident	82.8	Confident	15 Å²	15	60.6 Å²	60.6	16%	0.155	32%	0.319	C	S	.	.			trans	86.2	149.4	-171.1	0	0	0	0	0	112.2	A461 I462 Y467 K468 S469	A461-G465 PolarHBondContact O-N 3.42Å; I462-G465 PolarHBondContact O-N 2.69Å; G465-Y467 PolarHBondContact O-N 2.9Å; G465-K468 PolarHBondContact O-N 2.79Å; G465-K468 VanDerWaalsContact O-N 3.08Å; G465-S469 PolarHBondContact O-N 2.78Å; G465-S469 PolarHBondContact O-OG 2.79Å
466	F	76.6	Confident	82	Confident	147 Å²	147	60.9 Å²	60.9	65%	0.645	32%	0.316	S	S	*	.	H	α-helix	trans	-44.6	-55.9	-167.3	-174.4	-102.4	0	0	0	114.8	K468 S469 L470	F466-K468 PolarHBondContact O-N 2.84Å; F466-S469 PolarHBondContact O-N 2.98Å; F466-L470 HydrophobicContact CD1-CD1 4Å; F466-L470 HydrophobicContact CE1-CD1 3.45Å; F466-L470 VanDerWaalsContact CE1-CD1 3.45Å; F466-L470 HydrophobicContact CE1-CG 4.48Å; F466-L470 HydrophobicContact CE2-CD1 4.33Å; F466-L470 HydrophobicContact CZ-CD1 3.64Å; F466-L470 HydrophobicContact CZ-CG 4.46Å; F466-L470 PolarHBondContact O-N 3.16Å
467	Y	79.4	Confident	81.2	Confident	194 Å²	194	63.7 Å²	63.7	76%	0.761	33%	0.333	S	S	*	.	H	α-helix	trans	-61.9	-42.8	-177.7	-64.6	-74.1	0	0	0	113.5	G465 S469 L470 A471	G465-Y467 PolarHBondContact O-N 2.9Å; Y467-S469 VanDerWaalsContact C-N 3.31Å; Y467-S469 PolarHBondContact O-N 3.19Å; Y467-L470 PolarHBondContact O-N 2.93Å; Y467-A471 WeakPolarHBondContact O-CB 3.45Å; Y467-A471 PolarHBondContact O-N 3.16Å; Y467-A471 VanDerWaalsContact O-N 3.08Å
468	K	81.6	Confident	80.8	Confident	62 Å²	62	62.9 Å²	62.9	27%	0.27	33%	0.333	S	S	.	.	H	α-helix	trans	-67.5	-35.9	179.3	-71	-173.3	178.2	-175.6	0	111.1	T249 M250 A464 G465 F466 Y472	T249-K468 PolarHBondContact O-NZ 3.11Å; M250-K468 HydrophobicContact CB-CD 4.17Å; M250-K468 HydrophobicContact CB-CG 4.33Å; A464-K468 HydrophobicContact CB-CB 4.04Å; A464-K468 WeakPolarHBondContact O-CD 3.39Å; G465-K468 PolarHBondContact O-N 2.79Å; G465-K468 VanDerWaalsContact O-N 3.08Å; F466-K468 PolarHBondContact O-N 2.84Å; K468-Y472 VanDerWaalsContact O-CB 3.23Å; K468-Y472 WeakPolarHBondContact O-CB 3.35Å; K468-Y472 PolarHBondContact O-N 3.46Å
469	S	75.4	Confident	80.1	Confident	30 Å²	30	61.2 Å²	61.2	21%	0.21	32%	0.316	C	S	.	.	H	α-helix	trans	-66.7	-43.6	178.2	-54.2	0	0	0	0	112.2	A461 G465 F466 Y467 Y472 G473	A461-S469 VanDerWaalsContact CA-OG 3.27Å; A461-S469 WeakPolarHBondContact CA-OG 3.11Å; A461-S469 PolarHBondContact O-OG 3.2Å; G465-S469 PolarHBondContact O-N 2.78Å; G465-S469 PolarHBondContact O-OG 2.79Å; F466-S469 PolarHBondContact O-N 2.98Å; Y467-S469 VanDerWaalsContact C-N 3.31Å; Y467-S469 PolarHBondContact O-N 3.19Å; S469-Y472 PolarHBondContact O-N 2.84Å; S469-G473 PolarHBondContact O-N 3.09Å
470	L	76.6	Confident	79.2	Confident	104 Å²	104	62.8 Å²	62.8	55%	0.545	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-49.4	174.2	-73.4	176.8	0	0	0	111.8	F466 Y467 Y472 G473 F474	F466-L470 HydrophobicContact CD1-CD1 4Å; F466-L470 HydrophobicContact CE1-CD1 3.45Å; F466-L470 VanDerWaalsContact CE1-CD1 3.45Å; F466-L470 HydrophobicContact CE1-CG 4.48Å; F466-L470 HydrophobicContact CE2-CD1 4.33Å; F466-L470 HydrophobicContact CZ-CD1 3.64Å; F466-L470 HydrophobicContact CZ-CG 4.46Å; F466-L470 PolarHBondContact O-N 3.16Å; Y467-L470 PolarHBondContact O-N 2.93Å; L470-Y472 VanDerWaalsContact C-N 3.3Å; L470-Y472 PolarHBondContact O-N 3.33Å; L470-G473 PolarHBondContact O-N 2.83Å; L470-F474 PolarHBondContact O-N 2.71Å
471	A	78.4	Confident	78.7	Confident	43 Å²	43	66.2 Å²	66.2	36%	0.355	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-38.6	178.4	0	0	0	0	0	112.5	Y467 R475	Y467-A471 WeakPolarHBondContact O-CB 3.45Å; Y467-A471 PolarHBondContact O-N 3.16Å; Y467-A471 VanDerWaalsContact O-N 3.08Å; A471-R475 PolarHBondContact O-N 3.33Å
472	Y	76.8	Confident	78.1	Confident	56 Å²	56	66.1 Å²	66.1	22%	0.22	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-45	175.1	-179.4	-97.1	0	0	0	112	M198 K468 S469 L470 R475 K476	M198-Y472 HydrophobicContact CE-CD2 4.33Å; M198-Y472 HydrophobicContact CE-CE2 4.49Å; K468-Y472 VanDerWaalsContact O-CB 3.23Å; K468-Y472 WeakPolarHBondContact O-CB 3.35Å; K468-Y472 PolarHBondContact O-N 3.46Å; S469-Y472 PolarHBondContact O-N 2.84Å; L470-Y472 VanDerWaalsContact C-N 3.3Å; L470-Y472 PolarHBondContact O-N 3.33Å; Y472-R475 PolarHBondContact O-N 3.4Å; Y472-K476 HydrophobicContact CE1-CG 4.31Å; Y472-K476 PolarHBondContact O-N 3.15Å
473	G	76.4	Confident	77.4	Confident	31 Å²	31	63 Å²	63	32%	0.32	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-47.7	176.8	0	0	0	0	0	112.3	S469 L470 R475 K476 V477	S469-G473 PolarHBondContact O-N 3.09Å; L470-G473 PolarHBondContact O-N 2.83Å; G473-R475 VanDerWaalsContact C-N 3.35Å; G473-R475 PolarHBondContact O-N 2.93Å; G473-K476 WeakPolarHBondContact O-CB 3.13Å; G473-K476 PolarHBondContact O-N 3.27Å; G473-V477 PolarHBondContact O-N 3.44Å
474	F	78.7	Confident	76.7	Confident	155 Å²	155	68.2 Å²	68.2	68%	0.68	34%	0.343	S	S	*	.	H	α-helix	trans	-58.1	-43.5	179.3	-172	-94.6	0	0	0	112.6	L470 K476 V477 A478	L470-F474 PolarHBondContact O-N 2.71Å; F474-K476 VanDerWaalsContact C-N 3.25Å; F474-K476 PolarHBondContact O-N 3.17Å; F474-V477 PolarHBondContact O-N 2.94Å; F474-A478 WeakPolarHBondContact O-CB 3.19Å; F474-A478 PolarHBondContact O-N 3.35Å
475	R	76.1	Confident	76.3	Confident	124 Å²	124	74.9 Å²	74.9	47%	0.468	38%	0.377	S	S	.	.	H	α-helix	trans	-61.2	-32.5	176.3	-75.6	-178.3	179.9	-178.7	-1	113.3	M250 A471 Y472 G473 K479	M250-R475 VanDerWaalsContact CE-CZ 3.44Å; M250-R475 VanDerWaalsContact CE-NH1 3.31Å; M250-R475 PolarHBondContact SD-NH1 2.96Å; M250-R475 VanDerWaalsContact SD-NH1 3.37Å; A471-R475 PolarHBondContact O-N 3.33Å; Y472-R475 PolarHBondContact O-N 3.4Å; G473-R475 VanDerWaalsContact C-N 3.35Å; G473-R475 PolarHBondContact O-N 2.93Å; R475-K479 WeakPolarHBondContact O-CB 3.36Å; R475-K479 PolarHBondContact O-N 2.82Å; R475-K479 VanDerWaalsContact O-N 3.15Å
476	K	77.4	Confident	75.5	Confident	42 Å²	42	82.1 Å²	82.1	18%	0.183	40%	0.399	C	S	.	.	H	α-helix	trans	-74	-44.3	177.6	-74.9	-71.8	-172.8	170.9	0	111.4	A345 E346 Y472 G473 F474 A478 K479 M480	A345-K476 HydrophobicContact CB-CB 3.72Å; A345-K476 CarbonylContact O-C 3.44Å; E346-K476 IonicContact OE1-NZ 3.55Å; E346-K476 PolarHBondContact OE1-NZ 2.64Å; E346-K476 IonicContact OE2-NZ 3.36Å; E346-K476 PolarHBondContact OE2-NZ 3.19Å; Y472-K476 HydrophobicContact CE1-CG 4.31Å; Y472-K476 PolarHBondContact O-N 3.15Å; G473-K476 WeakPolarHBondContact O-CB 3.13Å; G473-K476 PolarHBondContact O-N 3.27Å; F474-K476 VanDerWaalsContact C-N 3.25Å; F474-K476 PolarHBondContact O-N 3.17Å; K476-A478 PolarHBondContact O-N 2.96Å; K476-K479 WeakPolarHBondContact O-CB 3.36Å; K476-K479 PolarHBondContact O-N 3.24Å; K476-K479 VanDerWaalsContact O-N 3.15Å; K476-M480 PolarHBondContact O-N 3.47Å
477	V	75.5	Confident	74.4	Confident	60 Å²	60	80.9 Å²	80.9	36%	0.364	41%	0.409	S	S	.	.	H	α-helix	trans	-60.2	-45.6	173.9	176.4	0	0	0	0	111.2	A345 G473 F474 K479 M480 L481	A345-V477 HydrophobicContact CB-CG2 4.29Å; G473-V477 PolarHBondContact O-N 3.44Å; F474-V477 PolarHBondContact O-N 2.94Å; V477-K479 VanDerWaalsContact C-N 3.28Å; V477-K479 PolarHBondContact O-N 2.52Å; V477-M480 WeakPolarHBondContact O-CB 3.5Å; V477-M480 PolarHBondContact O-N 3.16Å; V477-M480 VanDerWaalsContact O-N 3.07Å; V477-L481 HydrophobicContact CG1-CD1 4.28Å; V477-L481 PolarHBondContact O-N 3.46Å
478	A	77.8	Confident	74.2	Confident	46 Å²	46	75.2 Å²	75.2	38%	0.38	39%	0.391	S	S	.	.	H	α-helix	trans	-58.4	-40	175.5	0	0	0	0	0	112.3	F474 K476 L481 S482	F474-A478 WeakPolarHBondContact O-CB 3.19Å; F474-A478 PolarHBondContact O-N 3.35Å; K476-A478 PolarHBondContact O-N 2.96Å; A478-L481 PolarHBondContact O-N 2.74Å; A478-S482 PolarHBondContact O-N 3.05Å
479	K	73.4	Confident	73.8	Confident	18 Å²	18	75.9 Å²	75.9	8%	0.078	40%	0.397	C	S	.	.	H	α-helix	trans	-62.3	-41.8	174.5	-179.7	178.8	179.8	-164.5	0	111.9	R192 E346 R475 K476 V477 S482 S483	R192-K479 VanDerWaalsContact CZ-CE 3.43Å; E346-K479 IonicContact OE1-NZ 3.9Å; E346-K479 PolarHBondContact OE1-NZ 3.03Å; R475-K479 WeakPolarHBondContact O-CB 3.36Å; R475-K479 PolarHBondContact O-N 2.82Å; R475-K479 VanDerWaalsContact O-N 3.15Å; K476-K479 WeakPolarHBondContact O-CB 3.36Å; K476-K479 PolarHBondContact O-N 3.24Å; K476-K479 VanDerWaalsContact O-N 3.15Å; V477-K479 VanDerWaalsContact C-N 3.28Å; V477-K479 PolarHBondContact O-N 2.52Å; K479-S482 PolarHBondContact O-OG 3.36Å; K479-S483 PolarHBondContact O-N 3.28Å
480	M	73	Confident	73.7	Confident	34 Å²	34	78.4 Å²	78.4	17%	0.167	41%	0.408	C	S	.	.	H	α-helix	trans	-63.3	-49	176.3	-177.2	-167.2	73	0	0	111.5	L344 K476 V477 S482 S483 Y484	L344-M480 VanDerWaalsContact O-SD 3.37Å; K476-M480 PolarHBondContact O-N 3.47Å; V477-M480 WeakPolarHBondContact O-CB 3.5Å; V477-M480 PolarHBondContact O-N 3.16Å; V477-M480 VanDerWaalsContact O-N 3.07Å; M480-S482 VanDerWaalsContact C-N 3.28Å; M480-S482 PolarHBondContact O-N 3.37Å; M480-S483 WeakPolarHBondContact O-CA 3.26Å; M480-S483 WeakPolarHBondContact O-CB 3.3Å; M480-S483 PolarHBondContact O-N 2.96Å; M480-S483 PolarHBondContact O-OG 3.2Å; M480-Y484 HydrophobicContact CE-CE2 4.49Å; M480-Y484 HydrophobicContact CG-CD2 4.17Å; M480-Y484 HydrophobicContact CG-CE2 3.86Å; M480-Y484 WeakPolarHBondContact O-CD2 3.5Å; M480-Y484 PolarHBondContact O-N 2.86Å; M480-Y484 HydrophobicContact SD-CE2 4.27Å
481	L	77.8	Confident	73.5	Confident	99 Å²	99	76.9 Å²	76.9	52%	0.518	40%	0.4	S	S	.	.	H	α-helix	trans	-58.5	-40.8	178.5	-68.5	173.1	0	0	0	112	V477 A478 S483 Y484 L485	V477-L481 HydrophobicContact CG1-CD1 4.28Å; V477-L481 PolarHBondContact O-N 3.46Å; A478-L481 PolarHBondContact O-N 2.74Å; L481-S483 PolarHBondContact O-N 3.23Å; L481-Y484 PolarHBondContact O-N 3.33Å; L481-L485 PolarHBondContact O-N 2.86Å
482	S	74.4	Confident	73.2	Confident	43 Å²	43	79.1 Å²	79.1	30%	0.301	40%	0.402	S	S	.	.	H	α-helix	trans	-63.1	-23.5	175.1	73.3	0	0	0	0	114.1	A478 K479 M480 R486	A478-S482 PolarHBondContact O-N 3.05Å; K479-S482 PolarHBondContact O-OG 3.36Å; M480-S482 VanDerWaalsContact C-N 3.28Å; M480-S482 PolarHBondContact O-N 3.37Å; S482-R486 WeakPolarHBondContact O-CG 3.5Å
483	S	71	Confident	73	Confident	10 Å²	10	80.6 Å²	80.6	7%	0.07	42%	0.415	C	S	.	.	H	α-helix	trans	-79.1	-35.1	176.7	73.8	0	0	0	0	112.4	K479 M480 L481 L485 R486 S487	K479-S483 PolarHBondContact O-N 3.28Å; M480-S483 WeakPolarHBondContact O-CA 3.26Å; M480-S483 WeakPolarHBondContact O-CB 3.3Å; M480-S483 PolarHBondContact O-N 2.96Å; M480-S483 PolarHBondContact O-OG 3.2Å; L481-S483 PolarHBondContact O-N 3.23Å; S483-L485 VanDerWaalsContact C-N 3.27Å; S483-L485 PolarHBondContact O-N 3.09Å; S483-R486 PolarHBondContact O-N 2.95Å; S483-S487 PolarHBondContact O-N 2.76Å
484	Y	72.7	Confident	72.7	Confident	108 Å²	108	84.1 Å²	84.1	42%	0.424	42%	0.421	S	S	.	.	H	α-helix	trans	-65.8	-28.2	174.6	-83.9	-79.8	0	0	0	113.2	R348 M480 L481 R486 S487	R348-Y484 PolarHBondContact NE-OH 3.38Å; R348-Y484 PolarHBondContact NH2-OH 2.86Å; M480-Y484 HydrophobicContact CE-CE2 4.49Å; M480-Y484 HydrophobicContact CG-CD2 4.17Å; M480-Y484 HydrophobicContact CG-CE2 3.86Å; M480-Y484 WeakPolarHBondContact O-CD2 3.5Å; M480-Y484 PolarHBondContact O-N 2.86Å; M480-Y484 HydrophobicContact SD-CE2 4.27Å; L481-Y484 PolarHBondContact O-N 3.33Å; Y484-R486 VanDerWaalsContact C-N 3.31Å; Y484-S487 PolarHBondContact O-OG 3.37Å
485	L	73.4	Confident	72.2	Confident	152 Å²	152	78.7 Å²	78.7	80%	0.796	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.6	177.2	-67.2	170.4	0	0	0	113.5	L481 S483	L481-L485 PolarHBondContact O-N 2.86Å; S483-L485 VanDerWaalsContact C-N 3.27Å; S483-L485 PolarHBondContact O-N 3.09Å
486	R	63.2	Low	71.9	Confident	166 Å²	166	74.9 Å²	74.9	63%	0.626	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-16.5	-179.2	-72	178.9	-179.4	-161.4	-4.1	113.4	Q191 S482 S483 Y484	Q191-R486 PolarHBondContact O-NH1 3.23Å; S482-R486 WeakPolarHBondContact O-CG 3.5Å; S483-R486 PolarHBondContact O-N 2.95Å; Y484-R486 VanDerWaalsContact C-N 3.31Å
487	S	53.5	Low	71.4	Confident	121 Å²	121	77.9 Å²	77.9	85%	0.846	42%	0.415	S	S	*	.			trans	-79.2	0	167.5	58.4	0	0	0	0	109.5	S483 Y484	S483-S487 PolarHBondContact O-N 2.76Å; Y484-S487 PolarHBondContact O-OG 3.37Å

Retrieved 487 of 487 residues in 878.9 ms (Link to these results)

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