A0A096N126_PAPAN Loading...

Ras-related protein Rab-43

AlphaFold DB , UniProt , Accession A0A096N126, Species PAPAN (Papio anubis, Olive baboon), Gene RAB43, Length 212 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	42.7	Very low	50.8	Low	246 Å²	246	106.3 Å²	106.3	100%	1.212	74%	0.74	S	S	*	*				0	105.8	0	-70.7	-177.7	179.2	0	0	106.9	G3	M1-G3 PolarHBondContact O-N 3.17Å
2	A	42.4	Very low	51.3	Low	106 Å²	106	104.9 Å²	104.9	88%	0.876	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-69	127	172.5	0	0	0	0	0	107.6
3	G	46	Very low	52.3	Low	61 Å²	61	106.9 Å²	106.9	63%	0.629	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-61.3	155.7	175.3	0	0	0	0	0	110.7	M1 G5	M1-G3 PolarHBondContact O-N 3.17Å; G3-G5 PolarHBondContact O-N 3.27Å
4	P	52.4	Low	54.4	Low	136 Å²	136	110.3 Å²	110.3	88%	0.883	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-58.8	126.7	175	26.2	-31.1	0	0	0	108.4
5	G	48.5	Very low	56.8	Low	56 Å²	56	109.5 Å²	109.5	58%	0.577	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-59.4	160.9	173.6	0	0	0	0	0	111	G3 G7	G3-G5 PolarHBondContact O-N 3.27Å; G5-G7 PolarHBondContact O-N 3.3Å; G5-G7 VanDerWaalsContact O-N 3.08Å
6	P	50.8	Low	59	Low	139 Å²	139	107.4 Å²	107.4	90%	0.903	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-55.4	121.7	176.1	24.4	-31.8	0	0	0	108.4
7	G	50.5	Low	61.1	Low	55 Å²	55	103.5 Å²	103.5	57%	0.567	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-58.5	162.4	173.1	0	0	0	0	0	110.5	G5 G9	G5-G7 PolarHBondContact O-N 3.3Å; G5-G7 VanDerWaalsContact O-N 3.08Å; G7-G9 PolarHBondContact O-N 3.22Å
8	P	55.4	Low	63	Low	137 Å²	137	101.1 Å²	101.1	89%	0.89	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-54.4	118	172.2	24.3	-31.6	0	0	0	108
9	G	56.8	Low	64.7	Low	51 Å²	51	95.9 Å²	95.9	53%	0.526	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-54.1	145.4	178.9	0	0	0	0	0	110.1	G7	G7-G9 PolarHBondContact O-N 3.22Å
10	D	58.3	Low	66.2	Low	89 Å²	89	94.2 Å²	94.2	48%	0.476	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-53.6	125.8	178.3	-178.3	-10.8	0	0	0	108.3	D12 E13	D10-D12 PolarHBondContact O-N 3.12Å; D10-D12 PolarHBondContact OD1-N 3.28Å; D10-E13 HydrophobicContact CB-CG 4.1Å; D10-E13 VanDerWaalsContact O-CB 3.31Å; D10-E13 WeakPolarHBondContact O-CB 3.2Å; D10-E13 PolarHBondContact O-N 3.43Å
11	P	54.7	Low	67.7	Low	93 Å²	93	89.7 Å²	89.7	60%	0.604	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-19.1	177.3	19.1	-30.5	0	0	0	112.9	E13 R66	P11-E13 VanDerWaalsContact C-N 3.32Å; P11-R66 PolarHBondContact O-NH1 3.38Å; P11-R66 PolarHBondContact O-NH2 3.04Å
12	D	57.1	Low	70.2	Confident	90 Å²	90	78 Å²	78	48%	0.481	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.6	171.4	-79	-25.6	0	0	0	115.6	D10 R66 K68	D10-D12 PolarHBondContact O-N 3.12Å; D10-D12 PolarHBondContact OD1-N 3.28Å; D12-R66 IonicContact OD1-NH2 3.78Å; D12-K68 PolarHBondContact O-NZ 3.04Å
13	E	64	Low	72.7	Confident	131 Å²	131	73 Å²	73	61%	0.612	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-23.3	172.1	-75.5	-178.7	159.4	0	0	113.2	D10 P11 Y15	D10-E13 HydrophobicContact CB-CG 4.1Å; D10-E13 VanDerWaalsContact O-CB 3.31Å; D10-E13 WeakPolarHBondContact O-CB 3.2Å; D10-E13 PolarHBondContact O-N 3.43Å; P11-E13 VanDerWaalsContact C-N 3.32Å; E13-Y15 WeakPolarHBondContact O-CD1 3.31Å; E13-Y15 WeakPolarHBondContact O-CE1 3.48Å; E13-Y15 PolarHBondContact O-N 3.14Å
14	Q	82.3	Confident	75	Confident	154 Å²	154	70 Å²	70	72%	0.72	42%	0.419	S	S	*	.			trans	-90.4	103.7	-178.2	-160.9	171.1	35.6	0	0	111.4	R66	Q14-R66 PolarHBondContact O-NE 2.92Å; Q14-R66 PolarHBondContact O-NH1 3.34Å
15	Y	89.8	Confident	77	Confident	98 Å²	98	63.6 Å²	63.6	38%	0.384	38%	0.378	S	S	.	.			trans	-130.2	147.5	175.4	53	-93.7	0	0	0	110.6	E13 F17 L18 K68	E13-Y15 WeakPolarHBondContact O-CD1 3.31Å; E13-Y15 WeakPolarHBondContact O-CE1 3.48Å; E13-Y15 PolarHBondContact O-N 3.14Å; Y15-F17 WeakPolarHBondContact CD2-O 3.32Å; Y15-L18 HydrophobicContact CD2-CB 3.98Å; Y15-L18 HydrophobicContact CE2-CB 3.47Å; Y15-L18 VanDerWaalsContact CE2-CB 3.47Å; Y15-L18 HydrophobicContact CE2-CD2 4.45Å; Y15-L18 HydrophobicContact CE2-CG 4.43Å; Y15-K68 HydrophobicContact CD1-CB 4.17Å; Y15-K68 HydrophobicContact CD1-CD 3.66Å; Y15-K68 HydrophobicContact CD2-CB 4.47Å; Y15-K68 HydrophobicContact CE1-CD 3.91Å; Y15-K68 HydrophobicContact CG-CB 3.97Å; Y15-K68 HydrophobicContact CG-CD 4.32Å
16	D	93	Very high	79.2	Confident	76 Å²	76	62.4 Å²	62.4	41%	0.406	36%	0.358	S	S	.	.	S	Bend	trans	-75.7	-37.7	173.1	-64.8	-96.2	0	0	0	111	K65 R66	D16-K65 HydrophobicContact CB-CB 4.28Å; D16-K65 HydrophobicContact CB-CD 3.98Å; D16-K65 VanDerWaalsContact CG-CD 3.46Å; D16-K65 VanDerWaalsContact OD1-CD 3.29Å; D16-K65 WeakPolarHBondContact OD1-CD 3.48Å; D16-K65 IonicContact OD1-NZ 2.64Å; D16-K65 PolarHBondContact OD1-NZ 3.37Å; D16-K65 WeakPolarHBondContact OD2-CA 3.39Å; D16-R66 PolarHBondContact N-O 3.13Å; D16-R66 PolarHBondContact OD2-N 3.08Å
17	F	94.7	Very high	81.1	Confident	42 Å²	42	57.3 Å²	57.3	18%	0.184	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.8	-176.9	-61.9	-82.2	0	0	0	111.7	Y15 F19 K65 R66 V67 K68 I181 H184	Y15-F17 WeakPolarHBondContact CD2-O 3.32Å; F17-F19 HydrophobicContact CB-CD2 4.28Å; F17-F19 HydrophobicContact CB-CE1 4.44Å; F17-F19 HydrophobicContact CB-CE2 3.66Å; F17-F19 HydrophobicContact CB-CZ 3.75Å; F17-F19 HydrophobicContact CD1-CE1 4.38Å; F17-F19 HydrophobicContact CD1-CE2 4.35Å; F17-F19 AromaticContact CD1-CZ 3.69Å; F17-F19 HydrophobicContact CD1-CZ 3.69Å; F17-F19 HydrophobicContact CG-CE2 4.09Å; F17-F19 AromaticContact CG-CZ 3.9Å; F17-F19 HydrophobicContact CG-CZ 3.9Å; F17-K65 HydrophobicContact CD2-CB 4.35Å; F17-K65 HydrophobicContact CE2-CB 4.25Å; F17-K65 HydrophobicContact CE2-CD 4.33Å; F17-K65 HydrophobicContact CE2-CG 4.18Å; F17-R66 PolarHBondContact N-O 3.35Å; F17-V67 HydrophobicContact CB-CG1 4.27Å; F17-V67 HydrophobicContact CB-CG2 4.36Å; F17-V67 HydrophobicContact CD2-CG2 4.3Å; F17-K68 PolarHBondContact O-N 2.95Å; F17-I181 HydrophobicContact CD2-CG1 4.02Å; F17-I181 HydrophobicContact CE2-CG1 4.13Å; F17-I181 HydrophobicContact CE2-CG2 4.06Å; F17-I181 HydrophobicContact CG-CG1 4.42Å; F17-I181 HydrophobicContact CZ-CG2 4.11Å; F17-H184 HydrophobicContact CE1-CB 4.4Å
18	L	94.8	Very high	83.1	Confident	59 Å²	59	59 Å²	59	31%	0.309	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.1	168.8	176.7	66.7	0	0	0	108.6	Y15 K68 Q70	Y15-L18 HydrophobicContact CD2-CB 3.98Å; Y15-L18 HydrophobicContact CE2-CB 3.47Å; Y15-L18 VanDerWaalsContact CE2-CB 3.47Å; Y15-L18 HydrophobicContact CE2-CD2 4.45Å; Y15-L18 HydrophobicContact CE2-CG 4.43Å; L18-K68 WeakPolarHBondContact CA-O 3.49Å; L18-K68 HydrophobicContact CD1-CB 3.94Å; L18-K68 HydrophobicContact CD1-CD 4.28Å; L18-K68 HydrophobicContact CD1-CG 3.97Å; L18-Q70 HydrophobicContact CD1-CG 3.81Å
19	F	96	Very high	85	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.4	177.3	-61.5	-51	0	0	0	112.2	F17 V67 K68 L69 Q70 N92 L180 I181 H184	F17-F19 HydrophobicContact CB-CD2 4.28Å; F17-F19 HydrophobicContact CB-CE1 4.44Å; F17-F19 HydrophobicContact CB-CE2 3.66Å; F17-F19 HydrophobicContact CB-CZ 3.75Å; F17-F19 HydrophobicContact CD1-CE1 4.38Å; F17-F19 HydrophobicContact CD1-CE2 4.35Å; F17-F19 AromaticContact CD1-CZ 3.69Å; F17-F19 HydrophobicContact CD1-CZ 3.69Å; F17-F19 HydrophobicContact CG-CE2 4.09Å; F17-F19 AromaticContact CG-CZ 3.9Å; F17-F19 HydrophobicContact CG-CZ 3.9Å; F19-V67 HydrophobicContact CD2-CG1 3.59Å; F19-V67 HydrophobicContact CE2-CG1 3.92Å; F19-K68 PolarHBondContact N-O 2.67Å; F19-L69 HydrophobicContact CB-CD2 3.94Å; F19-L69 HydrophobicContact CD2-CD2 4.34Å; F19-L69 WeakPolarHBondContact O-CA 3.42Å; F19-Q70 PolarHBondContact O-N 3.05Å; F19-N92 WeakPolarHBondContact CA-OD1 3.38Å; F19-N92 HydrophobicContact CB-CB 4.33Å; F19-N92 HydrophobicContact CD1-CB 4.1Å; F19-L180 HydrophobicContact CB-CD1 3.87Å; F19-L180 HydrophobicContact CD1-CB 4.09Å; F19-L180 HydrophobicContact CD1-CD1 4.13Å; F19-L180 HydrophobicContact CD2-CB 3.83Å; F19-L180 HydrophobicContact CD2-CD1 4.05Å; F19-L180 HydrophobicContact CE1-CB 3.89Å; F19-L180 HydrophobicContact CE2-CB 3.61Å; F19-L180 HydrophobicContact CG-CB 4.07Å; F19-L180 HydrophobicContact CG-CD1 3.76Å; F19-L180 HydrophobicContact CZ-CB 3.64Å; F19-I181 HydrophobicContact CE2-CG1 3.98Å; F19-I181 HydrophobicContact CZ-CG1 4.43Å; F19-H184 HydrophobicContact CE1-CB 4.39Å; F19-H184 AromaticContact CE1-CG 3.9Å; F19-H184 AromaticContact CE1-ND1 3.71Å; F19-H184 HydrophobicContact CZ-CB 4.48Å
20	K	94.8	Very high	86.8	Confident	60 Å²	60	50.8 Å²	50.8	26%	0.261	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.4	177.3	-64	-176	173.5	174.8	0	110.1	Q70 W72 S90 A91 N92 G93	K20-Q70 CarbonylContact C-O 3.6Å; K20-Q70 WeakPolarHBondContact CA-O 3.43Å; K20-Q70 HydrophobicContact CG-CB 4.3Å; K20-W72 HydrophobicContact CB-CE3 4.37Å; K20-W72 HydrophobicContact CB-CH2 3.98Å; K20-W72 HydrophobicContact CB-CZ3 3.43Å; K20-W72 VanDerWaalsContact CB-CZ3 3.43Å; K20-W72 HydrophobicContact CD-CH2 3.69Å; K20-W72 HydrophobicContact CD-CZ3 4.05Å; K20-W72 HydrophobicContact CG-CH2 3.59Å; K20-W72 HydrophobicContact CG-CZ3 3.57Å; K20-S90 WeakPolarHBondContact CB-O 3.5Å; K20-S90 VanDerWaalsContact CD-O 3.27Å; K20-S90 WeakPolarHBondContact CD-O 3.5Å; K20-S90 PolarHBondContact NZ-OG 2.74Å; K20-A91 CarbonylContact O-C 3.41Å; K20-N92 PolarHBondContact N-OD1 3.02Å; K20-N92 PolarHBondContact O-N 2.85Å; K20-G93 PolarHBondContact O-N 3.41Å; K20-G93 VanDerWaalsContact O-N 3.1Å
21	L	96.1	Very high	88.6	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.6	-180	-56.8	-173.3	0	0	0	110.3	L69 Q70 I71 W72 G93 F173 V176 L180	L21-L69 HydrophobicContact CD1-CD1 4.06Å; L21-L69 HydrophobicContact CD1-CD2 4.1Å; L21-L69 HydrophobicContact CG-CD2 4.43Å; L21-Q70 PolarHBondContact N-O 3.25Å; L21-I71 HydrophobicContact CB-CG1 4.45Å; L21-I71 CarbonylContact O-C 3.53Å; L21-I71 WeakPolarHBondContact O-CA 3.36Å; L21-W72 PolarHBondContact O-N 3.15Å; L21-G93 VanDerWaalsContact CA-O 3.32Å; L21-G93 WeakPolarHBondContact CA-O 3.42Å; L21-F173 HydrophobicContact CD1-CD1 3.94Å; L21-F173 HydrophobicContact CD1-CE1 4.49Å; L21-V176 HydrophobicContact CD1-CG1 4.28Å; L21-V176 HydrophobicContact CD2-CG1 3.58Å; L21-L180 HydrophobicContact CD2-CD1 3.82Å
22	V	94.9	Very high	90.5	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.7	169.9	68	0	0	0	0	110	V24 W72 T74 Y88 A91 G93 A94 I95	V22-V24 HydrophobicContact CG1-CG1 4.32Å; V22-V24 HydrophobicContact CG2-CG1 3.92Å; V22-W72 HydrophobicContact CG2-CB 4.34Å; V22-T74 HydrophobicContact CG2-CG2 3.61Å; V22-Y88 HydrophobicContact CB-CD1 4.49Å; V22-Y88 HydrophobicContact CG1-CD1 4.01Å; V22-Y88 HydrophobicContact CG1-CE1 4.18Å; V22-Y88 HydrophobicContact CG2-CD1 4.11Å; V22-Y88 HydrophobicContact CG2-CE1 3.87Å; V22-A91 HydrophobicContact CG1-CB 4.24Å; V22-G93 PolarHBondContact N-O 2.98Å; V22-A94 HydrophobicContact CG1-CB 3.75Å; V22-A94 CarbonylContact O-C 3.57Å; V22-A94 WeakPolarHBondContact O-CA 3.27Å; V22-I95 PolarHBondContact O-N 3.22Å
23	L	95.4	Very high	92.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.4	169.4	-115.7	81.8	0	0	0	109.4	K31 V35 I71 W72 T74 I95 F173	L23-K31 HydrophobicContact CB-CD 4.39Å; L23-K31 HydrophobicContact CD2-CB 3.71Å; L23-K31 HydrophobicContact CD2-CG 4.17Å; L23-V35 HydrophobicContact CD1-CG2 4.27Å; L23-V35 HydrophobicContact CD2-CG2 3.67Å; L23-V35 HydrophobicContact CG-CG2 4.44Å; L23-I71 HydrophobicContact CD1-CG2 4.4Å; L23-W72 PolarHBondContact N-O 2.64Å; L23-T74 WeakPolarHBondContact O-CB 3.46Å; L23-T74 WeakPolarHBondContact O-CG2 3.19Å; L23-T74 PolarHBondContact O-N 3.36Å; L23-T74 PolarHBondContact O-OG1 2.87Å; L23-I95 WeakPolarHBondContact CA-O 3.39Å; L23-I95 HydrophobicContact CD1-CB 3.59Å; L23-I95 HydrophobicContact CD1-CD1 3.86Å; L23-I95 HydrophobicContact CD1-CG1 4.14Å; L23-I95 HydrophobicContact CD1-CG2 4.06Å; L23-I95 HydrophobicContact CG-CB 4.03Å; L23-I95 HydrophobicContact CG-CG2 4.23Å; L23-F173 HydrophobicContact CD1-CE1 4.07Å; L23-F173 HydrophobicContact CD1-CZ 4.09Å
24	V	94.9	Very high	93.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	161.1	-179	-61.7	0	0	0	0	111.4	V22 K31 Y88 I95 L96 A97 W112 V116	V22-V24 HydrophobicContact CG1-CG1 4.32Å; V22-V24 HydrophobicContact CG2-CG1 3.92Å; V24-K31 VanDerWaalsContact C-CD 3.45Å; V24-K31 WeakPolarHBondContact O-CD 3.28Å; V24-Y88 HydrophobicContact CG1-CE1 3.66Å; V24-I95 PolarHBondContact N-O 2.94Å; V24-L96 HydrophobicContact CG2-CB 4.41Å; V24-L96 HydrophobicContact CG2-CD2 4.03Å; V24-L96 HydrophobicContact CG2-CG 3.92Å; V24-A97 PolarHBondContact O-N 2.99Å; V24-W112 HydrophobicContact CB-CD2 4.4Å; V24-W112 HydrophobicContact CB-CE3 3.88Å; V24-W112 HydrophobicContact CB-CZ3 4.34Å; V24-W112 HydrophobicContact CG1-CE3 4.5Å; V24-W112 HydrophobicContact CG2-CB 4.33Å; V24-W112 HydrophobicContact CG2-CE3 4.48Å; V24-V116 HydrophobicContact CG1-CG2 4.4Å; V24-V116 HydrophobicContact CG2-CG2 3.99Å
25	G	95.1	Very high	94.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.01	15%	0.146	C	C	.	.			trans	140.9	169.9	-174.8	0	0	0	0	0	111.3	K31 G76 A97 W112	G25-K31 PolarHBondContact O-NZ 3.01Å; G25-G76 WeakPolarHBondContact O-CA 3.29Å; G25-A97 WeakPolarHBondContact CA-O 3.43Å; G25-W112 WeakPolarHBondContact O-CZ2 3.26Å
26	D	93.8	Very high	94.7	Very high	31 Å²	31	24.2 Å²	24.2	17%	0.166	14%	0.139	C	C	.	.			trans	-61	163	-175.8	-73.3	9.8	0	0	0	113	V29 K31 S105 S108 W112	D26-V29 HydrophobicContact CB-CG1 3.84Å; D26-V29 VanDerWaalsContact O-CG2 3.27Å; D26-V29 WeakPolarHBondContact O-CG2 3.02Å; D26-K31 PolarHBondContact O-NZ 3.3Å; D26-S105 WeakPolarHBondContact OD2-CA 3.4Å; D26-S108 WeakPolarHBondContact OD1-CB 3.19Å; D26-S108 PolarHBondContact OD1-OG 2.99Å; D26-S108 WeakPolarHBondContact OD2-CB 3.46Å; D26-S108 PolarHBondContact OD2-OG 2.96Å; D26-W112 PolarHBondContact OD1-NE1 3.39Å
27	A	91.3	Very high	94.9	Very high	32 Å²	32	22.5 Å²	22.5	26%	0.264	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	144.4	170.9	0	0	0	0	0	110.9	V29 G76 Q77	A27-V29 PolarHBondContact O-N 2.92Å; A27-G76 PolarHBondContact N-O 2.8Å; A27-Q77 HydrophobicContact CB-CG 3.96Å
28	S	91.8	Very high	94.9	Very high	91 Å²	91	20.8 Å²	20.8	64%	0.636	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	10.5	175.6	-50	0	0	0	0	117.2	G30 K132	S28-G30 PolarHBondContact O-N 3.46Å; S28-K132 PolarHBondContact O-NZ 3.43Å
29	V	95.6	Very high	94.8	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	12%	0.123	C	C	.	.	S	Bend	trans	-73.1	-13.3	171.4	-55	0	0	0	0	113.3	D26 A27 K31 A97 D99 N131	D26-V29 HydrophobicContact CB-CG1 3.84Å; D26-V29 VanDerWaalsContact O-CG2 3.27Å; D26-V29 WeakPolarHBondContact O-CG2 3.02Å; A27-V29 PolarHBondContact O-N 2.92Å; V29-K31 HydrophobicContact CG2-CD 4.38Å; V29-K31 HydrophobicContact CG2-CG 3.71Å; V29-A97 HydrophobicContact CG2-CB 3.9Å; V29-D99 HydrophobicContact CB-CB 4.18Å; V29-D99 HydrophobicContact CG1-CB 4.17Å; V29-N131 PolarHBondContact O-ND2 2.88Å
30	G	95	Very high	94.4	Very high	13 Å²	13	25.9 Å²	25.9	13%	0.134	15%	0.146	C	C	.	.	S	Bend	trans	99.4	20.9	173.9	0	0	0	0	0	116	S28 T32 C33 V34	S28-G30 PolarHBondContact O-N 3.46Å; G30-T32 PolarHBondContact O-N 3.24Å; G30-C33 WeakPolarHBondContact O-CB 3.2Å; G30-C33 PolarHBondContact O-N 3.39Å; G30-C33 VanDerWaalsContact O-N 3.1Å; G30-V34 WeakPolarHBondContact O-CG2 3.38Å; G30-V34 PolarHBondContact O-N 3.38Å
31	K	95.4	Very high	94	Very high	10 Å²	10	25.2 Å²	25.2	4%	0.043	16%	0.156	C	C	.	.	H	α-helix	trans	-50	-52.6	175.7	-61.3	-171.2	-59.2	-74.8	0	113	L23 V24 G25 D26 V29 C33 V34 V35 D73 T74 A97	L23-K31 HydrophobicContact CB-CD 4.39Å; L23-K31 HydrophobicContact CD2-CB 3.71Å; L23-K31 HydrophobicContact CD2-CG 4.17Å; V24-K31 VanDerWaalsContact C-CD 3.45Å; V24-K31 WeakPolarHBondContact O-CD 3.28Å; G25-K31 PolarHBondContact O-NZ 3.01Å; D26-K31 PolarHBondContact O-NZ 3.3Å; V29-K31 HydrophobicContact CG2-CD 4.38Å; V29-K31 HydrophobicContact CG2-CG 3.71Å; K31-C33 VanDerWaalsContact C-N 3.31Å; K31-C33 PolarHBondContact O-N 3.26Å; K31-V34 WeakPolarHBondContact O-CB 3.29Å; K31-V34 PolarHBondContact O-N 2.83Å; K31-V34 VanDerWaalsContact O-N 3.1Å; K31-V35 PolarHBondContact O-N 2.79Å; K31-D73 VanDerWaalsContact CB-OD1 3.28Å; K31-D73 WeakPolarHBondContact CB-OD1 3.17Å; K31-T74 WeakPolarHBondContact CE-O 3.11Å; K31-A97 HydrophobicContact CD-CB 4.36Å; K31-A97 HydrophobicContact CG-CB 3.79Å
32	T	94.5	Very high	93.3	Very high	19 Å²	19	27.7 Å²	27.7	12%	0.117	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-40.3	178	-44.2	0	0	0	0	112.1	G30 V34 V35 Q36 Q47 T50 D73	G30-T32 PolarHBondContact O-N 3.24Å; T32-V34 VanDerWaalsContact C-N 3.33Å; T32-V34 PolarHBondContact O-N 3.04Å; T32-V35 PolarHBondContact O-N 2.98Å; T32-Q36 HydrophobicContact CG2-CG 4.3Å; T32-Q36 VanDerWaalsContact O-CB 3.3Å; T32-Q36 WeakPolarHBondContact O-CB 3.24Å; T32-Q36 WeakPolarHBondContact O-CG 3.35Å; T32-Q36 PolarHBondContact O-N 2.91Å; T32-Q47 HydrophobicContact CG2-CG 4.2Å; T32-T50 PolarHBondContact OG1-OG1 2.83Å; T32-D73 VanDerWaalsContact CA-OD2 3.26Å; T32-D73 WeakPolarHBondContact CA-OD2 3.38Å; T32-D73 WeakPolarHBondContact CB-OD2 3.47Å; T32-D73 VanDerWaalsContact CG2-OD2 3.29Å; T32-D73 WeakPolarHBondContact CG2-OD2 3.45Å; T32-D73 PolarHBondContact N-OD1 3.39Å; T32-D73 PolarHBondContact OG1-OD2 2.92Å
33	C	95.4	Very high	92.9	Very high	14 Å²	14	30.9 Å²	30.9	10%	0.095	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-40	175.9	-58.3	0	0	0	0	111.6	G30 K31 R37 F43 A163	G30-C33 WeakPolarHBondContact O-CB 3.2Å; G30-C33 PolarHBondContact O-N 3.39Å; G30-C33 VanDerWaalsContact O-N 3.1Å; K31-C33 VanDerWaalsContact C-N 3.31Å; K31-C33 PolarHBondContact O-N 3.26Å; C33-R37 WeakPolarHBondContact O-CB 3.39Å; C33-R37 PolarHBondContact O-N 2.72Å; C33-F43 HydrophobicContact CB-CD2 4.14Å; C33-F43 HydrophobicContact CB-CE2 4.1Å; C33-A163 HydrophobicContact CB-CB 3.61Å
34	V	97.1	Very high	92.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-47	176	170.4	0	0	0	0	110.7	G30 K31 T32 R37 F38 I129 A163 V169 F173	G30-V34 WeakPolarHBondContact O-CG2 3.38Å; G30-V34 PolarHBondContact O-N 3.38Å; K31-V34 WeakPolarHBondContact O-CB 3.29Å; K31-V34 PolarHBondContact O-N 2.83Å; K31-V34 VanDerWaalsContact O-N 3.1Å; T32-V34 VanDerWaalsContact C-N 3.33Å; T32-V34 PolarHBondContact O-N 3.04Å; V34-R37 PolarHBondContact O-N 2.83Å; V34-F38 WeakPolarHBondContact O-CB 3.33Å; V34-F38 PolarHBondContact O-N 2.91Å; V34-I129 HydrophobicContact CG1-CD1 4.17Å; V34-I129 HydrophobicContact CG2-CD1 4.31Å; V34-A163 HydrophobicContact CG2-CB 4.03Å; V34-V169 HydrophobicContact CG1-CG1 4.24Å; V34-F173 HydrophobicContact CG1-CE2 3.94Å; V34-F173 HydrophobicContact CG1-CZ 4.26Å
35	V	95.9	Very high	91.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-42.9	178.6	175.6	0	0	0	0	111.5	L23 K31 T32 F38 K39 T56 I71 D73 F173	L23-V35 HydrophobicContact CD1-CG2 4.27Å; L23-V35 HydrophobicContact CD2-CG2 3.67Å; L23-V35 HydrophobicContact CG-CG2 4.44Å; K31-V35 PolarHBondContact O-N 2.79Å; T32-V35 PolarHBondContact O-N 2.98Å; V35-F38 PolarHBondContact O-N 3.1Å; V35-K39 VanDerWaalsContact O-CB 3.28Å; V35-K39 WeakPolarHBondContact O-CB 3.28Å; V35-K39 PolarHBondContact O-N 2.9Å; V35-T56 HydrophobicContact CG1-CG2 4.13Å; V35-I71 HydrophobicContact CG1-CG2 4.19Å; V35-I71 HydrophobicContact CG2-CG2 3.9Å; V35-D73 HydrophobicContact CG2-CB 4.25Å; V35-F173 HydrophobicContact CG2-CZ 4.36Å
36	Q	93.8	Very high	90.1	Very high	50 Å²	50	52 Å²	52	23%	0.234	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-45.4	176.5	-72.8	-65.8	-25.2	0	0	111.2	T32 F38 K39 T40	T32-Q36 HydrophobicContact CG2-CG 4.3Å; T32-Q36 VanDerWaalsContact O-CB 3.3Å; T32-Q36 WeakPolarHBondContact O-CB 3.24Å; T32-Q36 WeakPolarHBondContact O-CG 3.35Å; T32-Q36 PolarHBondContact O-N 2.91Å; Q36-F38 VanDerWaalsContact C-N 3.32Å; Q36-F38 PolarHBondContact O-N 3.25Å; Q36-K39 PolarHBondContact O-N 2.75Å; Q36-K39 VanDerWaalsContact O-N 3.16Å; Q36-T40 PolarHBondContact O-N 3.44Å; Q36-T40 PolarHBondContact O-OG1 2.98Å
37	R	95.6	Very high	89.2	Confident	40 Å²	40	53.9 Å²	53.9	15%	0.151	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-44.6	176.6	-178	63.1	70.4	161.9	24.8	111.1	C33 V34 K39 G41 A42 A163 K164 V169	C33-R37 WeakPolarHBondContact O-CB 3.39Å; C33-R37 PolarHBondContact O-N 2.72Å; V34-R37 PolarHBondContact O-N 2.83Å; R37-K39 PolarHBondContact O-N 2.9Å; R37-G41 WeakPolarHBondContact CD-O 3.3Å; R37-G41 PolarHBondContact NH1-O 3.37Å; R37-G41 WeakPolarHBondContact O-CA 3.33Å; R37-G41 PolarHBondContact O-N 2.81Å; R37-A42 WeakPolarHBondContact CA-O 3.32Å; R37-A42 PolarHBondContact N-O 3.47Å; R37-A163 VanDerWaalsContact CZ-O 3.23Å; R37-A163 PolarHBondContact NE-O 3.21Å; R37-A163 PolarHBondContact NH2-O 2.98Å; R37-K164 VanDerWaalsContact NH2-C 3.34Å; R37-K164 PolarHBondContact NH2-O 2.94Å; R37-V169 HydrophobicContact CB-CG1 4.17Å; R37-V169 HydrophobicContact CG-CB 4.34Å; R37-V169 HydrophobicContact CG-CG1 4.09Å; R37-V169 HydrophobicContact CG-CG2 4.13Å
38	F	95.6	Very high	88.3	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-42.3	175.6	178	-117.5	0	0	0	112	V34 V35 Q36 K58 L60 L69 I71 V169 E170 F173	V34-F38 WeakPolarHBondContact O-CB 3.33Å; V34-F38 PolarHBondContact O-N 2.91Å; V35-F38 PolarHBondContact O-N 3.1Å; Q36-F38 VanDerWaalsContact C-N 3.32Å; Q36-F38 PolarHBondContact O-N 3.25Å; F38-K58 HydrophobicContact CD1-CD 3.93Å; F38-K58 HydrophobicContact CD2-CD 4.42Å; F38-K58 HydrophobicContact CE1-CB 3.85Å; F38-K58 HydrophobicContact CE1-CD 3.55Å; F38-K58 HydrophobicContact CE1-CG 3.85Å; F38-K58 HydrophobicContact CE2-CD 4.08Å; F38-K58 HydrophobicContact CG-CD 4.35Å; F38-K58 HydrophobicContact CZ-CB 4.42Å; F38-K58 HydrophobicContact CZ-CD 3.63Å; F38-K58 HydrophobicContact CZ-CG 3.96Å; F38-K58 WeakPolarHBondContact O-CD 3.43Å; F38-K58 PolarHBondContact O-NZ 3.11Å; F38-L60 HydrophobicContact CE2-CD1 4.44Å; F38-L60 HydrophobicContact CE2-CD2 4.01Å; F38-L60 HydrophobicContact CZ-CD1 3.92Å; F38-L60 HydrophobicContact CZ-CD2 3.75Å; F38-L60 HydrophobicContact CZ-CG 4.08Å; F38-L69 HydrophobicContact CE1-CD1 4.28Å; F38-L69 HydrophobicContact CZ-CD1 4.19Å; F38-I71 HydrophobicContact CD1-CD1 3.77Å; F38-I71 HydrophobicContact CE1-CD1 3.66Å; F38-V169 HydrophobicContact CB-CG1 3.76Å; F38-E170 HydrophobicContact CE2-CG 4.41Å; F38-F173 HydrophobicContact CB-CD2 3.87Å; F38-F173 HydrophobicContact CB-CE2 3.55Å; F38-F173 HydrophobicContact CB-CZ 4.27Å; F38-F173 HydrophobicContact CD1-CD1 4.11Å; F38-F173 AromaticContact CD1-CD2 3.71Å; F38-F173 HydrophobicContact CD1-CD2 3.71Å; F38-F173 HydrophobicContact CD1-CE1 4.19Å; F38-F173 AromaticContact CD1-CE2 3.82Å; F38-F173 HydrophobicContact CD1-CE2 3.82Å; F38-F173 AromaticContact CD1-CG 3.88Å; F38-F173 HydrophobicContact CD1-CG 3.88Å; F38-F173 HydrophobicContact CD1-CZ 4.06Å; F38-F173 HydrophobicContact CD2-CB 4.26Å; F38-F173 AromaticContact CD2-CD2 3.49Å; F38-F173 HydrophobicContact CD2-CD2 3.49Å; F38-F173 VanDerWaalsContact CD2-CD2 3.49Å; F38-F173 HydrophobicContact CD2-CE2 4.11Å; F38-F173 HydrophobicContact CD2-CG 4.03Å; F38-F173 HydrophobicContact CE1-CB 4.14Å; F38-F173 HydrophobicContact CE1-CD1 4.01Å; F38-F173 HydrophobicContact CE1-CD2 4.08Å; F38-F173 HydrophobicContact CE1-CE1 4.47Å; F38-F173 AromaticContact CE1-CG 3.8Å; F38-F173 HydrophobicContact CE1-CG 3.8Å; F38-F173 HydrophobicContact CE2-CB 3.75Å; F38-F173 AromaticContact CE2-CD2 3.89Å; F38-F173 HydrophobicContact CE2-CD2 3.89Å; F38-F173 AromaticContact CE2-CG 3.96Å; F38-F173 HydrophobicContact CE2-CG 3.96Å; F38-F173 AromaticContact CG-CD2 3.39Å; F38-F173 HydrophobicContact CG-CD2 3.39Å; F38-F173 AromaticContact CG-CE2 3.55Å; F38-F173 HydrophobicContact CG-CE2 3.55Å; F38-F173 AromaticContact CG-CG 3.99Å; F38-F173 HydrophobicContact CG-CG 3.99Å; F38-F173 HydrophobicContact CG-CZ 4.24Å; F38-F173 HydrophobicContact CZ-CB 3.68Å; F38-F173 HydrophobicContact CZ-CD1 4.42Å; F38-F173 HydrophobicContact CZ-CD2 4.17Å; F38-F173 AromaticContact CZ-CG 3.84Å; F38-F173 HydrophobicContact CZ-CG 3.84Å
39	K	92	Very high	87.7	Confident	88 Å²	88	55 Å²	55	38%	0.383	31%	0.308	S	S	.	.	H	α-helix	trans	-72.1	-53.9	-175.8	-173.4	-171.9	-165.3	163.6	0	113	V35 Q36 R37 T56	V35-K39 VanDerWaalsContact O-CB 3.28Å; V35-K39 WeakPolarHBondContact O-CB 3.28Å; V35-K39 PolarHBondContact O-N 2.9Å; Q36-K39 PolarHBondContact O-N 2.75Å; Q36-K39 VanDerWaalsContact O-N 3.16Å; R37-K39 PolarHBondContact O-N 2.9Å; K39-T56 HydrophobicContact CB-CG2 4.04Å; K39-T56 HydrophobicContact CD-CG2 3.49Å; K39-T56 VanDerWaalsContact CD-CG2 3.49Å; K39-T56 HydrophobicContact CG-CG2 3.77Å; K39-T56 PolarHBondContact NZ-OG1 3Å
40	T	88.9	Confident	86.7	Confident	83 Å²	83	56.4 Å²	56.4	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-114.3	-6.6	-166.1	62.3	0	0	0	0	113.2	Q36 A42	Q36-T40 PolarHBondContact O-N 3.44Å; Q36-T40 PolarHBondContact O-OG1 2.98Å; T40-A42 PolarHBondContact O-N 3.43Å; T40-A42 VanDerWaalsContact OG1-CB 3.3Å; T40-A42 WeakPolarHBondContact OG1-CB 3.44Å; T40-A42 PolarHBondContact OG1-N 3.08Å
41	G	84.8	Confident	85.8	Confident	45 Å²	45	62.8 Å²	62.8	46%	0.464	35%	0.346	S	S	.	.	S	Bend	trans	70	2	-169.2	0	0	0	0	0	113.3	R37	R37-G41 WeakPolarHBondContact CD-O 3.3Å; R37-G41 PolarHBondContact NH1-O 3.37Å; R37-G41 WeakPolarHBondContact O-CA 3.33Å; R37-G41 PolarHBondContact O-N 2.81Å
42	A	83.3	Confident	84.8	Confident	52 Å²	52	62.9 Å²	62.9	43%	0.43	35%	0.351	S	S	.	.			trans	-93.4	158.9	-177.3	0	0	0	0	0	112.7	R37 T40	R37-A42 WeakPolarHBondContact CA-O 3.32Å; R37-A42 PolarHBondContact N-O 3.47Å; T40-A42 PolarHBondContact O-N 3.43Å; T40-A42 VanDerWaalsContact OG1-CB 3.3Å; T40-A42 WeakPolarHBondContact OG1-CB 3.44Å; T40-A42 PolarHBondContact OG1-N 3.08Å
43	F	85.6	Confident	84.3	Confident	68 Å²	68	63.7 Å²	63.7	30%	0.298	36%	0.355	S	S	.	.			trans	-143.1	143.5	171.4	170.7	-98.3	0	0	0	110.5	C33 E45 A163 K164	C33-F43 HydrophobicContact CB-CD2 4.14Å; C33-F43 HydrophobicContact CB-CE2 4.1Å; F43-E45 HydrophobicContact CD1-CG 4.41Å; F43-E45 HydrophobicContact CE1-CB 4.41Å; F43-E45 HydrophobicContact CE1-CG 3.53Å; F43-E45 HydrophobicContact CZ-CG 4.19Å; F43-A163 HydrophobicContact CD2-CB 4.16Å; F43-A163 WeakPolarHBondContact CD2-O 3.46Å; F43-A163 HydrophobicContact CE2-CB 4.26Å; F43-K164 HydrophobicContact CD1-CG 4.27Å; F43-K164 HydrophobicContact CE1-CB 4.02Å; F43-K164 HydrophobicContact CE1-CD 4.41Å; F43-K164 HydrophobicContact CE1-CG 3.73Å; F43-K164 HydrophobicContact CE2-CB 4.16Å; F43-K164 HydrophobicContact CZ-CB 3.83Å; F43-K164 HydrophobicContact CZ-CG 4.01Å
44	S	80.1	Confident	83.9	Confident	60 Å²	60	66.1 Å²	66.1	42%	0.42	37%	0.367	S	S	.	.			trans	-127	124.7	174.2	-178	0	0	0	0	108.7	R46	S44-R46 PolarHBondContact O-N 3.07Å; S44-R46 PolarHBondContact OG-N 2.85Å
45	E	74.6	Confident	83.5	Confident	151 Å²	151	70.1 Å²	70.1	71%	0.706	39%	0.385	S	S	*	.	S	Bend	trans	-64.6	-29.3	174.3	-72.8	-175.1	164.9	0	0	111.9	F43 Q47 K164	F43-E45 HydrophobicContact CD1-CG 4.41Å; F43-E45 HydrophobicContact CE1-CB 4.41Å; F43-E45 HydrophobicContact CE1-CG 3.53Å; F43-E45 HydrophobicContact CZ-CG 4.19Å; E45-Q47 PolarHBondContact O-N 3.14Å; E45-K164 IonicContact OE1-NZ 3.37Å
46	R	72.4	Confident	83.4	Confident	234 Å²	234	70.1 Å²	70.1	88%	0.883	39%	0.385	S	S	*	.			trans	-99.5	59.8	-179.1	-61.8	-174.2	-175.5	-170.7	1.6	110.8	S44 G48	S44-R46 PolarHBondContact O-N 3.07Å; S44-R46 PolarHBondContact OG-N 2.85Å; R46-G48 PolarHBondContact O-N 2.57Å
47	Q	73.6	Confident	83.4	Confident	71 Å²	71	71.9 Å²	71.9	33%	0.332	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-75.6	119.1	171.3	-159	92.7	32	0	0	109.2	T32 E45	T32-Q47 HydrophobicContact CG2-CG 4.2Å; E45-Q47 PolarHBondContact O-N 3.14Å
48	G	73.2	Confident	83.3	Confident	60 Å²	60	72.6 Å²	72.6	62%	0.619	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-64.3	163.7	171	0	0	0	0	0	111.9	R46 T50	R46-G48 PolarHBondContact O-N 2.57Å; G48-T50 PolarHBondContact O-N 2.86Å
49	S	80	Confident	83.2	Confident	85 Å²	85	74.6 Å²	74.6	59%	0.594	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-63	131.1	172.3	-68.9	0	0	0	0	110.5	I51	S49-I51 PolarHBondContact O-N 2.98Å
50	T	74.6	Confident	83.3	Confident	32 Å²	32	71 Å²	71	20%	0.196	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-64	126.1	172.4	-44.6	0	0	0	0	109.4	T32 G48 A75	T32-T50 PolarHBondContact OG1-OG1 2.83Å; G48-T50 PolarHBondContact O-N 2.86Å; T50-A75 VanDerWaalsContact O-CB 3.23Å; T50-A75 WeakPolarHBondContact O-CB 3.2Å
51	I	75.5	Confident	83.5	Confident	147 Å²	147	74.3 Å²	74.3	75%	0.754	41%	0.406	S	S	*	.			trans	-98.5	113.1	174.9	-58.6	175.8	0	0	0	107	S49 V53 F80	S49-I51 PolarHBondContact O-N 2.98Å; I51-V53 PolarHBondContact O-N 3.04Å; I51-F80 HydrophobicContact CG2-CZ 4.32Å
52	G	75.2	Confident	83.9	Confident	13 Å²	13	72.8 Å²	72.8	13%	0.134	39%	0.387	C	S	.	.	S	Bend	trans	74.7	-122.6	-179.1	0	0	0	0	0	113.3	A75	G52-A75 WeakPolarHBondContact O-CB 3.42Å; G52-A75 PolarHBondContact O-N 3.27Å
53	V	82.5	Confident	84.2	Confident	35 Å²	35	77.6 Å²	77.6	21%	0.212	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129.4	-175.4	-178.2	0	0	0	0	109.1	I51 W72 D73 T74 I83 Y87	I51-V53 PolarHBondContact O-N 3.04Å; V53-W72 HydrophobicContact CG1-CB 3.93Å; V53-W72 HydrophobicContact CG1-CG 4.26Å; V53-D73 CarbonylContact C-O 3.59Å; V53-D73 VanDerWaalsContact CA-O 3.29Å; V53-D73 WeakPolarHBondContact CA-O 3.21Å; V53-D73 WeakPolarHBondContact CG1-O 3.4Å; V53-T74 HydrophobicContact CG1-CG2 4.39Å; V53-T74 HydrophobicContact CG2-CG2 4.36Å; V53-I83 HydrophobicContact CG2-CG2 4.33Å; V53-Y87 HydrophobicContact CB-CE2 4.1Å; V53-Y87 HydrophobicContact CG1-CD2 4.5Å; V53-Y87 HydrophobicContact CG1-CE2 4.27Å; V53-Y87 HydrophobicContact CG2-CD2 4.04Å; V53-Y87 HydrophobicContact CG2-CE2 3.63Å
54	D	87.6	Confident	84.4	Confident	66 Å²	66	76.9 Å²	76.9	35%	0.353	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	145	172.7	-173.1	33.8	0	0	0	110.5	W72 D73	D54-W72 WeakPolarHBondContact O-CA 3.23Å; D54-D73 HydrophobicContact CB-CB 4.34Å; D54-D73 PolarHBondContact N-O 2.96Å; D54-D73 PolarHBondContact O-N 3.22Å
55	F	89.8	Confident	85	Confident	85 Å²	85	78.3 Å²	78.3	37%	0.373	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.9	-176.8	176.8	-104.4	0	0	0	110.7	M57 Q70 W72	F55-M57 HydrophobicContact CE1-CE 4.38Å; F55-M57 HydrophobicContact CE1-CG 3.49Å; F55-M57 VanDerWaalsContact CE1-CG 3.49Å; F55-M57 HydrophobicContact CE1-SD 3.98Å; F55-M57 HydrophobicContact CE2-CG 4.38Å; F55-M57 HydrophobicContact CZ-CG 3.4Å; F55-M57 VanDerWaalsContact CZ-CG 3.4Å; F55-M57 HydrophobicContact CZ-SD 3.82Å; F55-Q70 HydrophobicContact CE2-CB 3.81Å; F55-Q70 HydrophobicContact CE2-CG 3.99Å; F55-Q70 HydrophobicContact CZ-CB 4.19Å; F55-Q70 HydrophobicContact CZ-CG 3.86Å; F55-W72 HydrophobicContact CD2-CD2 4.12Å; F55-W72 AromaticContact CD2-CE2 3.7Å; F55-W72 HydrophobicContact CD2-CG 4.48Å; F55-W72 AromaticContact CD2-CZ2 3.96Å; F55-W72 HydrophobicContact CD2-CZ2 3.96Å; F55-W72 AromaticContact CD2-NE1 3.77Å; F55-W72 HydrophobicContact CE2-CD2 4.4Å; F55-W72 AromaticContact CE2-CE2 3.88Å; F55-W72 AromaticContact CE2-CH2 3.92Å; F55-W72 HydrophobicContact CE2-CH2 3.92Å; F55-W72 AromaticContact CE2-CZ2 3.65Å; F55-W72 HydrophobicContact CE2-CZ2 3.65Å; F55-W72 HydrophobicContact CE2-CZ3 4.36Å
56	T	92.4	Very high	85.9	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.006	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.4	177.2	-81.4	0	0	0	0	110.5	V35 K39 I71	V35-T56 HydrophobicContact CG1-CG2 4.13Å; K39-T56 HydrophobicContact CB-CG2 4.04Å; K39-T56 HydrophobicContact CD-CG2 3.49Å; K39-T56 VanDerWaalsContact CD-CG2 3.49Å; K39-T56 HydrophobicContact CG-CG2 3.77Å; K39-T56 PolarHBondContact NZ-OG1 3Å; T56-I71 PolarHBondContact N-O 3.48Å; T56-I71 PolarHBondContact O-N 3.31Å
57	M	93.3	Very high	87.1	Confident	87 Å²	87	63.6 Å²	63.6	43%	0.429	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.2	167.9	-64.1	-164.4	-67.2	0	0	110.4	F55 L69 Q70	F55-M57 HydrophobicContact CE1-CE 4.38Å; F55-M57 HydrophobicContact CE1-CG 3.49Å; F55-M57 VanDerWaalsContact CE1-CG 3.49Å; F55-M57 HydrophobicContact CE1-SD 3.98Å; F55-M57 HydrophobicContact CE2-CG 4.38Å; F55-M57 HydrophobicContact CZ-CG 3.4Å; F55-M57 VanDerWaalsContact CZ-CG 3.4Å; F55-M57 HydrophobicContact CZ-SD 3.82Å; M57-L69 VanDerWaalsContact CA-O 3.26Å; M57-L69 WeakPolarHBondContact CA-O 3.1Å; M57-Q70 HydrophobicContact CG-CG 4.1Å; M57-Q70 HydrophobicContact SD-CG 4.09Å
58	K	94.1	Very high	88.1	Confident	55 Å²	55	61.8 Å²	61.8	24%	0.239	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	133	169.6	176.3	154.1	168.9	169	0	109.7	F38 L60 L69	F38-K58 HydrophobicContact CD1-CD 3.93Å; F38-K58 HydrophobicContact CD2-CD 4.42Å; F38-K58 HydrophobicContact CE1-CB 3.85Å; F38-K58 HydrophobicContact CE1-CD 3.55Å; F38-K58 HydrophobicContact CE1-CG 3.85Å; F38-K58 HydrophobicContact CE2-CD 4.08Å; F38-K58 HydrophobicContact CG-CD 4.35Å; F38-K58 HydrophobicContact CZ-CB 4.42Å; F38-K58 HydrophobicContact CZ-CD 3.63Å; F38-K58 HydrophobicContact CZ-CG 3.96Å; F38-K58 WeakPolarHBondContact O-CD 3.43Å; F38-K58 PolarHBondContact O-NZ 3.11Å; K58-L60 HydrophobicContact CG-CD2 4.33Å; K58-L69 PolarHBondContact N-O 3.35Å; K58-L69 WeakPolarHBondContact O-CB 3.43Å; K58-L69 PolarHBondContact O-N 2.96Å
59	T	94.2	Very high	89.2	Confident	49 Å²	49	59 Å²	59	30%	0.301	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.9	173.5	-55	0	0	0	0	109.1	V67	T59-V67 CarbonylContact C-O 3.51Å; T59-V67 WeakPolarHBondContact CA-O 3.47Å
60	L	93.6	Very high	89.9	Confident	13 Å²	13	56.5 Å²	56.5	7%	0.068	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	154.5	174.2	-62.6	179.8	0	0	0	109.6	F38 K58 I62 R66 V67 L69 L174	F38-L60 HydrophobicContact CE2-CD1 4.44Å; F38-L60 HydrophobicContact CE2-CD2 4.01Å; F38-L60 HydrophobicContact CZ-CD1 3.92Å; F38-L60 HydrophobicContact CZ-CD2 3.75Å; F38-L60 HydrophobicContact CZ-CG 4.08Å; K58-L60 HydrophobicContact CG-CD2 4.33Å; L60-I62 HydrophobicContact CB-CD1 4.39Å; L60-I62 HydrophobicContact CB-CG1 4.18Å; L60-I62 HydrophobicContact CD1-CD1 4.29Å; L60-R66 WeakPolarHBondContact O-CA 3.2Å; L60-V67 PolarHBondContact N-O 3.12Å; L60-V67 PolarHBondContact O-N 3.14Å; L60-L69 HydrophobicContact CD1-CD1 3.68Å; L60-L69 HydrophobicContact CD1-CG 4.45Å; L60-L69 HydrophobicContact CG-CD1 4.32Å; L60-L174 HydrophobicContact CD1-CD2 3.98Å
61	E	93.6	Very high	90.9	Very high	152 Å²	152	55 Å²	55	71%	0.71	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	117	166.5	-167.8	177.6	161.4	0	0	108.7	K65	E61-K65 WeakPolarHBondContact CA-O 3.33Å
62	I	93.3	Very high	91.8	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.062	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	113	-177	-54.9	-179.5	0	0	0	107.4	L60 G64 K65 V67 L174 A177 I181	L60-I62 HydrophobicContact CB-CD1 4.39Å; L60-I62 HydrophobicContact CB-CG1 4.18Å; L60-I62 HydrophobicContact CD1-CD1 4.29Å; I62-G64 PolarHBondContact O-N 2.84Å; I62-K65 PolarHBondContact N-O 3.21Å; I62-K65 VanDerWaalsContact O-CB 3.3Å; I62-K65 WeakPolarHBondContact O-CB 3.44Å; I62-K65 PolarHBondContact O-N 3.49Å; I62-V67 HydrophobicContact CB-CG2 4.4Å; I62-V67 HydrophobicContact CD1-CG2 4.14Å; I62-V67 HydrophobicContact CG1-CG2 4.33Å; I62-L174 HydrophobicContact CD1-CD2 3.81Å; I62-L174 HydrophobicContact CG1-CD2 3.82Å; I62-A177 HydrophobicContact CD1-CB 3.46Å; I62-A177 VanDerWaalsContact CD1-CB 3.46Å; I62-I181 HydrophobicContact CB-CD1 3.98Å; I62-I181 HydrophobicContact CD1-CD1 4.23Å; I62-I181 HydrophobicContact CG2-CD1 3.93Å
63	Q	89.4	Confident	92.5	Very high	154 Å²	154	49.1 Å²	49.1	72%	0.72	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	40.2	179.7	-58.5	177.4	-12.2	0	0	113.3	K65	Q63-K65 PolarHBondContact O-N 2.91Å
64	G	89.9	Confident	92.6	Very high	53 Å²	53	47.4 Å²	47.4	55%	0.546	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	7.9	-177.8	0	0	0	0	0	114.8	I62	I62-G64 PolarHBondContact O-N 2.84Å
65	K	92.4	Very high	92.1	Very high	90 Å²	90	44.4 Å²	44.4	39%	0.391	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.3	173.2	-61.8	-62.5	-170.2	-178.9	0	110.8	D16 F17 E61 I62 Q63 V67	D16-K65 HydrophobicContact CB-CB 4.28Å; D16-K65 HydrophobicContact CB-CD 3.98Å; D16-K65 VanDerWaalsContact CG-CD 3.46Å; D16-K65 VanDerWaalsContact OD1-CD 3.29Å; D16-K65 WeakPolarHBondContact OD1-CD 3.48Å; D16-K65 IonicContact OD1-NZ 2.64Å; D16-K65 PolarHBondContact OD1-NZ 3.37Å; D16-K65 WeakPolarHBondContact OD2-CA 3.39Å; F17-K65 HydrophobicContact CD2-CB 4.35Å; F17-K65 HydrophobicContact CE2-CB 4.25Å; F17-K65 HydrophobicContact CE2-CD 4.33Å; F17-K65 HydrophobicContact CE2-CG 4.18Å; E61-K65 WeakPolarHBondContact CA-O 3.33Å; I62-K65 PolarHBondContact N-O 3.21Å; I62-K65 VanDerWaalsContact O-CB 3.3Å; I62-K65 WeakPolarHBondContact O-CB 3.44Å; I62-K65 PolarHBondContact O-N 3.49Å; Q63-K65 PolarHBondContact O-N 2.91Å; K65-V67 PolarHBondContact O-N 3.09Å
66	R	94.2	Very high	91.1	Very high	76 Å²	76	40.9 Å²	40.9	29%	0.287	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111	174.9	-65.1	-175.7	71.3	-165.2	-0.6	109.4	P11 D12 Q14 D16 F17 L60	P11-R66 PolarHBondContact O-NH1 3.38Å; P11-R66 PolarHBondContact O-NH2 3.04Å; D12-R66 IonicContact OD1-NH2 3.78Å; Q14-R66 PolarHBondContact O-NE 2.92Å; Q14-R66 PolarHBondContact O-NH1 3.34Å; D16-R66 PolarHBondContact N-O 3.13Å; D16-R66 PolarHBondContact OD2-N 3.08Å; F17-R66 PolarHBondContact N-O 3.35Å; L60-R66 WeakPolarHBondContact O-CA 3.2Å
67	V	95.8	Very high	89.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.4	-178.1	-175.3	0	0	0	0	109.5	F17 F19 T59 L60 I62 K65 L69 A177 I181	F17-V67 HydrophobicContact CB-CG1 4.27Å; F17-V67 HydrophobicContact CB-CG2 4.36Å; F17-V67 HydrophobicContact CD2-CG2 4.3Å; F19-V67 HydrophobicContact CD2-CG1 3.59Å; F19-V67 HydrophobicContact CE2-CG1 3.92Å; T59-V67 CarbonylContact C-O 3.51Å; T59-V67 WeakPolarHBondContact CA-O 3.47Å; L60-V67 PolarHBondContact N-O 3.12Å; L60-V67 PolarHBondContact O-N 3.14Å; I62-V67 HydrophobicContact CB-CG2 4.4Å; I62-V67 HydrophobicContact CD1-CG2 4.14Å; I62-V67 HydrophobicContact CG1-CG2 4.33Å; K65-V67 PolarHBondContact O-N 3.09Å; V67-L69 HydrophobicContact CG1-CD2 3.86Å; V67-L69 HydrophobicContact CG1-CG 4.45Å; V67-A177 HydrophobicContact CG1-CB 4.4Å; V67-I181 HydrophobicContact CG2-CD1 3.64Å; V67-I181 HydrophobicContact CG2-CG1 4.19Å
68	K	95.7	Very high	88.3	Confident	33 Å²	33	45.4 Å²	45.4	14%	0.143	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	115.6	173.9	-166	166.1	-168.4	162.2	0	109.3	D12 Y15 F17 L18 F19	D12-K68 PolarHBondContact O-NZ 3.04Å; Y15-K68 HydrophobicContact CD1-CB 4.17Å; Y15-K68 HydrophobicContact CD1-CD 3.66Å; Y15-K68 HydrophobicContact CD2-CB 4.47Å; Y15-K68 HydrophobicContact CE1-CD 3.91Å; Y15-K68 HydrophobicContact CG-CB 3.97Å; Y15-K68 HydrophobicContact CG-CD 4.32Å; F17-K68 PolarHBondContact O-N 2.95Å; L18-K68 WeakPolarHBondContact CA-O 3.49Å; L18-K68 HydrophobicContact CD1-CB 3.94Å; L18-K68 HydrophobicContact CD1-CD 4.28Å; L18-K68 HydrophobicContact CD1-CG 3.97Å; F19-K68 PolarHBondContact N-O 2.67Å
69	L	96.4	Very high	86.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.5	174.4	-59.7	-177.7	0	0	0	109.9	F19 L21 F38 M57 K58 L60 V67 I71 F173 A177	F19-L69 HydrophobicContact CB-CD2 3.94Å; F19-L69 HydrophobicContact CD2-CD2 4.34Å; F19-L69 WeakPolarHBondContact O-CA 3.42Å; L21-L69 HydrophobicContact CD1-CD1 4.06Å; L21-L69 HydrophobicContact CD1-CD2 4.1Å; L21-L69 HydrophobicContact CG-CD2 4.43Å; F38-L69 HydrophobicContact CE1-CD1 4.28Å; F38-L69 HydrophobicContact CZ-CD1 4.19Å; M57-L69 VanDerWaalsContact CA-O 3.26Å; M57-L69 WeakPolarHBondContact CA-O 3.1Å; K58-L69 PolarHBondContact N-O 3.35Å; K58-L69 WeakPolarHBondContact O-CB 3.43Å; K58-L69 PolarHBondContact O-N 2.96Å; L60-L69 HydrophobicContact CD1-CD1 3.68Å; L60-L69 HydrophobicContact CD1-CG 4.45Å; L60-L69 HydrophobicContact CG-CD1 4.32Å; V67-L69 HydrophobicContact CG1-CD2 3.86Å; V67-L69 HydrophobicContact CG1-CG 4.45Å; L69-I71 HydrophobicContact CB-CD1 4.35Å; L69-I71 HydrophobicContact CB-CG1 4.19Å; L69-F173 HydrophobicContact CD1-CB 4.22Å; L69-F173 HydrophobicContact CD1-CD1 4.4Å; L69-A177 HydrophobicContact CD2-CB 4.24Å
70	Q	95.4	Very high	85.2	Confident	34 Å²	34	51.3 Å²	51.3	16%	0.159	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.3	166.1	-74.5	-174.7	-20	0	0	107.8	L18 F19 K20 L21 F55 M57 W72	L18-Q70 HydrophobicContact CD1-CG 3.81Å; F19-Q70 PolarHBondContact O-N 3.05Å; K20-Q70 CarbonylContact C-O 3.6Å; K20-Q70 WeakPolarHBondContact CA-O 3.43Å; K20-Q70 HydrophobicContact CG-CB 4.3Å; L21-Q70 PolarHBondContact N-O 3.25Å; F55-Q70 HydrophobicContact CE2-CB 3.81Å; F55-Q70 HydrophobicContact CE2-CG 3.99Å; F55-Q70 HydrophobicContact CZ-CB 4.19Å; F55-Q70 HydrophobicContact CZ-CG 3.86Å; M57-Q70 HydrophobicContact CG-CG 4.1Å; M57-Q70 HydrophobicContact SD-CG 4.09Å; Q70-W72 HydrophobicContact CB-CE3 4.29Å; Q70-W72 HydrophobicContact CB-CH2 3.52Å; Q70-W72 HydrophobicContact CB-CZ3 3.35Å; Q70-W72 HydrophobicContact CG-CH2 4.35Å; Q70-W72 WeakPolarHBondContact O-CZ3 3.45Å
71	I	95.3	Very high	83.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.1	-170.7	-56.3	166.8	0	0	0	108.7	L21 L23 V35 F38 T56 L69 F173	L21-I71 HydrophobicContact CB-CG1 4.45Å; L21-I71 CarbonylContact O-C 3.53Å; L21-I71 WeakPolarHBondContact O-CA 3.36Å; L23-I71 HydrophobicContact CD1-CG2 4.4Å; V35-I71 HydrophobicContact CG1-CG2 4.19Å; V35-I71 HydrophobicContact CG2-CG2 3.9Å; F38-I71 HydrophobicContact CD1-CD1 3.77Å; F38-I71 HydrophobicContact CE1-CD1 3.66Å; T56-I71 PolarHBondContact N-O 3.48Å; T56-I71 PolarHBondContact O-N 3.31Å; L69-I71 HydrophobicContact CB-CD1 4.35Å; L69-I71 HydrophobicContact CB-CG1 4.19Å; I71-F173 HydrophobicContact CD1-CD1 4Å; I71-F173 HydrophobicContact CD1-CE1 3.66Å; I71-F173 HydrophobicContact CD1-CZ 4.4Å; I71-F173 HydrophobicContact CG1-CE1 4.27Å; I71-F173 HydrophobicContact CG2-CE1 4.34Å
72	W	93.1	Very high	82.6	Confident	35 Å²	35	52.6 Å²	52.6	13%	0.133	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	105.8	172.5	-72.6	-94.8	0	0	0	109.2	K20 L21 V22 L23 V53 D54 F55 Q70 Y87	K20-W72 HydrophobicContact CB-CE3 4.37Å; K20-W72 HydrophobicContact CB-CH2 3.98Å; K20-W72 HydrophobicContact CB-CZ3 3.43Å; K20-W72 VanDerWaalsContact CB-CZ3 3.43Å; K20-W72 HydrophobicContact CD-CH2 3.69Å; K20-W72 HydrophobicContact CD-CZ3 4.05Å; K20-W72 HydrophobicContact CG-CH2 3.59Å; K20-W72 HydrophobicContact CG-CZ3 3.57Å; L21-W72 PolarHBondContact O-N 3.15Å; V22-W72 HydrophobicContact CG2-CB 4.34Å; L23-W72 PolarHBondContact N-O 2.64Å; V53-W72 HydrophobicContact CG1-CB 3.93Å; V53-W72 HydrophobicContact CG1-CG 4.26Å; D54-W72 WeakPolarHBondContact O-CA 3.23Å; F55-W72 HydrophobicContact CD2-CD2 4.12Å; F55-W72 AromaticContact CD2-CE2 3.7Å; F55-W72 HydrophobicContact CD2-CG 4.48Å; F55-W72 AromaticContact CD2-CZ2 3.96Å; F55-W72 HydrophobicContact CD2-CZ2 3.96Å; F55-W72 AromaticContact CD2-NE1 3.77Å; F55-W72 HydrophobicContact CE2-CD2 4.4Å; F55-W72 AromaticContact CE2-CE2 3.88Å; F55-W72 AromaticContact CE2-CH2 3.92Å; F55-W72 HydrophobicContact CE2-CH2 3.92Å; F55-W72 AromaticContact CE2-CZ2 3.65Å; F55-W72 HydrophobicContact CE2-CZ2 3.65Å; F55-W72 HydrophobicContact CE2-CZ3 4.36Å; Q70-W72 HydrophobicContact CB-CE3 4.29Å; Q70-W72 HydrophobicContact CB-CH2 3.52Å; Q70-W72 HydrophobicContact CB-CZ3 3.35Å; Q70-W72 HydrophobicContact CG-CH2 4.35Å; Q70-W72 WeakPolarHBondContact O-CZ3 3.45Å; W72-Y87 AromaticContact CD1-CD1 3.2Å; W72-Y87 AromaticContact CD1-CE1 3.47Å; W72-Y87 VanDerWaalsContact CD1-CE1 3.47Å; W72-Y87 AromaticContact CD1-CG 3.97Å; W72-Y87 HydrophobicContact CD2-CD1 4.45Å; W72-Y87 AromaticContact CG-CD1 3.95Å; W72-Y87 HydrophobicContact CG-CD1 3.95Å; W72-Y87 HydrophobicContact CG-CG 4.43Å; W72-Y87 AromaticContact NE1-CD1 3.27Å; W72-Y87 VanDerWaalsContact NE1-CD1 3.27Å; W72-Y87 AromaticContact NE1-CE1 3.45Å
73	D	90.1	Very high	81.4	Confident	1 Å²	1	56 Å²	56	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	119.4	171.2	178.2	39.7	0	0	0	109.6	K31 T32 V35 V53 D54	K31-D73 VanDerWaalsContact CB-OD1 3.28Å; K31-D73 WeakPolarHBondContact CB-OD1 3.17Å; T32-D73 VanDerWaalsContact CA-OD2 3.26Å; T32-D73 WeakPolarHBondContact CA-OD2 3.38Å; T32-D73 WeakPolarHBondContact CB-OD2 3.47Å; T32-D73 VanDerWaalsContact CG2-OD2 3.29Å; T32-D73 WeakPolarHBondContact CG2-OD2 3.45Å; T32-D73 PolarHBondContact N-OD1 3.39Å; T32-D73 PolarHBondContact OG1-OD2 2.92Å; V35-D73 HydrophobicContact CG2-CB 4.25Å; V53-D73 CarbonylContact C-O 3.59Å; V53-D73 VanDerWaalsContact CA-O 3.29Å; V53-D73 WeakPolarHBondContact CA-O 3.21Å; V53-D73 WeakPolarHBondContact CG1-O 3.4Å; D54-D73 HydrophobicContact CB-CB 4.34Å; D54-D73 PolarHBondContact N-O 2.96Å; D54-D73 PolarHBondContact O-N 3.22Å
74	T	85.1	Confident	80.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	144	-170	69.9	0	0	0	0	111.6	V22 L23 K31 V53 G76 T84	V22-T74 HydrophobicContact CG2-CG2 3.61Å; L23-T74 WeakPolarHBondContact O-CB 3.46Å; L23-T74 WeakPolarHBondContact O-CG2 3.19Å; L23-T74 PolarHBondContact O-N 3.36Å; L23-T74 PolarHBondContact O-OG1 2.87Å; K31-T74 WeakPolarHBondContact CE-O 3.11Å; V53-T74 HydrophobicContact CG1-CG2 4.39Å; V53-T74 HydrophobicContact CG2-CG2 4.36Å; T74-G76 PolarHBondContact O-N 3.45Å; T74-T84 HydrophobicContact CG2-CG2 3.45Å; T74-T84 VanDerWaalsContact CG2-CG2 3.45Å
75	A	76.4	Confident	80	Confident	3 Å²	3	48.3 Å²	48.3	3%	0.025	22%	0.22	C	C	.	.			trans	-65.4	119.9	168	0	0	0	0	0	109.6	T50 G52 Q77 F80	T50-A75 VanDerWaalsContact O-CB 3.23Å; T50-A75 WeakPolarHBondContact O-CB 3.2Å; G52-A75 WeakPolarHBondContact O-CB 3.42Å; G52-A75 PolarHBondContact O-N 3.27Å; A75-Q77 PolarHBondContact O-N 3.41Å; A75-F80 HydrophobicContact CB-CB 4.17Å; A75-F80 HydrophobicContact CB-CD2 3.49Å; A75-F80 VanDerWaalsContact CB-CD2 3.49Å; A75-F80 HydrophobicContact CB-CE2 4.2Å; A75-F80 HydrophobicContact CB-CG 4.11Å
76	G	68.4	Low	79.3	Confident	11 Å²	11	47.1 Å²	47.1	11%	0.113	22%	0.223	C	C	.	.			trans	-76.7	19.7	179.1	0	0	0	0	0	114.7	G25 A27 T74	G25-G76 WeakPolarHBondContact O-CA 3.29Å; A27-G76 PolarHBondContact N-O 2.8Å; T74-G76 PolarHBondContact O-N 3.45Å
77	Q	67.1	Low	78.6	Confident	41 Å²	41	47 Å²	47	19%	0.192	22%	0.223	C	C	.	.	S	Bend	trans	-97.7	139.2	177.9	-67.5	-172.4	10.4	0	0	109.9	A27 A75 R79 F80	A27-Q77 HydrophobicContact CB-CG 3.96Å; A75-Q77 PolarHBondContact O-N 3.41Å; Q77-R79 PolarHBondContact O-N 3.05Å; Q77-R79 VanDerWaalsContact O-N 3.07Å; Q77-F80 HydrophobicContact CB-CD2 4.17Å; Q77-F80 PolarHBondContact O-N 3.14Å
78	E	60.9	Low	77.9	Confident	141 Å²	141	47 Å²	47	66%	0.659	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-56.3	-30.8	-179	63.1	-75.2	157.5	0	0	113.4	F80 R81	E78-F80 PolarHBondContact O-N 2.94Å; E78-R81 WeakPolarHBondContact O-CB 3.19Å; E78-R81 PolarHBondContact O-N 2.8Å; E78-R81 VanDerWaalsContact O-N 3.08Å
79	R	60.2	Low	77.3	Confident	185 Å²	185	54.5 Å²	54.5	70%	0.698	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-58.2	-20.9	178.1	-64.4	-172.4	-68.3	-179.9	-1.7	114.1	Q77	Q77-R79 PolarHBondContact O-N 3.05Å; Q77-R79 VanDerWaalsContact O-N 3.07Å
80	F	63	Low	76.7	Confident	44 Å²	44	57.1 Å²	57.1	19%	0.193	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-110.7	6.6	-179.8	-56.9	-63.6	0	0	0	113.8	I51 A75 Q77 E78 T82 I83 T84	I51-F80 HydrophobicContact CG2-CZ 4.32Å; A75-F80 HydrophobicContact CB-CB 4.17Å; A75-F80 HydrophobicContact CB-CD2 3.49Å; A75-F80 VanDerWaalsContact CB-CD2 3.49Å; A75-F80 HydrophobicContact CB-CE2 4.2Å; A75-F80 HydrophobicContact CB-CG 4.11Å; Q77-F80 HydrophobicContact CB-CD2 4.17Å; Q77-F80 PolarHBondContact O-N 3.14Å; E78-F80 PolarHBondContact O-N 2.94Å; F80-T82 PolarHBondContact O-N 3.06Å; F80-I83 HydrophobicContact CD1-CD1 4.16Å; F80-I83 PolarHBondContact O-N 2.77Å; F80-I83 VanDerWaalsContact O-N 3.16Å; F80-T84 PolarHBondContact O-N 3.18Å; F80-T84 VanDerWaalsContact O-N 3.07Å; F80-T84 PolarHBondContact O-OG1 2.84Å
81	R	66.4	Low	76.6	Confident	80 Å²	80	56.2 Å²	56.2	30%	0.302	27%	0.267	S	S	.	.	H	α-helix	trans	-57.1	-43.8	-179.3	-85.5	175.3	105.9	169.2	7.2	112.6	E78 I83 T84 Q85 W112 D115	E78-R81 WeakPolarHBondContact O-CB 3.19Å; E78-R81 PolarHBondContact O-N 2.8Å; E78-R81 VanDerWaalsContact O-N 3.08Å; R81-I83 VanDerWaalsContact C-N 3.3Å; R81-I83 PolarHBondContact O-N 3.37Å; R81-T84 WeakPolarHBondContact O-CB 3.22Å; R81-T84 PolarHBondContact O-N 2.66Å; R81-Q85 WeakPolarHBondContact O-CG 3.41Å; R81-Q85 PolarHBondContact O-N 2.98Å; R81-Q85 VanDerWaalsContact O-N 3.11Å; R81-W112 HydrophobicContact CG-CH2 4.46Å; R81-D115 IonicContact CZ-OD2 2.99Å; R81-D115 VanDerWaalsContact CZ-OD2 3.24Å; R81-D115 IonicContact NE-OD2 2.98Å; R81-D115 PolarHBondContact NE-OD2 3.49Å; R81-D115 IonicContact NH2-OD1 3.85Å; R81-D115 IonicContact NH2-OD2 3.7Å; R81-D115 PolarHBondContact NH2-OD2 2.86Å
82	T	66.1	Low	76.6	Confident	111 Å²	111	58.3 Å²	58.3	68%	0.681	28%	0.278	S	S	*	.	H	α-helix	trans	-61.6	-37	179.4	-48.6	0	0	0	0	112.6	F80 T84	F80-T82 PolarHBondContact O-N 3.06Å; T82-T84 VanDerWaalsContact C-N 3.31Å
83	I	67.7	Low	76.8	Confident	84 Å²	84	56.6 Å²	56.6	43%	0.431	27%	0.272	S	S	.	.	H	α-helix	trans	-67.6	-38.6	176.2	-63.8	178.4	0	0	0	109.8	V53 F80 R81 Q85 S86 Y87	V53-I83 HydrophobicContact CG2-CG2 4.33Å; F80-I83 HydrophobicContact CD1-CD1 4.16Å; F80-I83 PolarHBondContact O-N 2.77Å; F80-I83 VanDerWaalsContact O-N 3.16Å; R81-I83 VanDerWaalsContact C-N 3.3Å; R81-I83 PolarHBondContact O-N 3.37Å; I83-Q85 VanDerWaalsContact C-N 3.32Å; I83-Q85 PolarHBondContact O-N 3.27Å; I83-S86 PolarHBondContact O-OG 2.8Å; I83-Y87 HydrophobicContact CG2-CE2 3.96Å; I83-Y87 WeakPolarHBondContact O-CD2 3.46Å; I83-Y87 VanDerWaalsContact O-CE2 3.24Å; I83-Y87 WeakPolarHBondContact O-CE2 3.44Å
84	T	71.1	Confident	77.1	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-33	-178	-48.8	0	0	0	0	112.6	T74 F80 R81 T82 S86 Y87 Y88	T74-T84 HydrophobicContact CG2-CG2 3.45Å; T74-T84 VanDerWaalsContact CG2-CG2 3.45Å; F80-T84 PolarHBondContact O-N 3.18Å; F80-T84 VanDerWaalsContact O-N 3.07Å; F80-T84 PolarHBondContact O-OG1 2.84Å; R81-T84 WeakPolarHBondContact O-CB 3.22Å; R81-T84 PolarHBondContact O-N 2.66Å; T82-T84 VanDerWaalsContact C-N 3.31Å; T84-S86 VanDerWaalsContact C-N 3.27Å; T84-S86 PolarHBondContact O-N 2.93Å; T84-Y87 PolarHBondContact O-N 3.07Å; T84-Y87 VanDerWaalsContact O-N 3.08Å; T84-Y88 HydrophobicContact CG2-CE1 3.57Å; T84-Y88 HydrophobicContact CG2-CE2 4.48Å; T84-Y88 VanDerWaalsContact CG2-OH 3.26Å; T84-Y88 WeakPolarHBondContact CG2-OH 3.4Å
85	Q	78.5	Confident	77.7	Confident	44 Å²	44	56.6 Å²	56.6	21%	0.206	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-31.9	-178.7	-70	169.9	9.8	0	0	114.3	R81 I83 Y87 Y88 Y119	R81-Q85 WeakPolarHBondContact O-CG 3.41Å; R81-Q85 PolarHBondContact O-N 2.98Å; R81-Q85 VanDerWaalsContact O-N 3.11Å; I83-Q85 VanDerWaalsContact C-N 3.32Å; I83-Q85 PolarHBondContact O-N 3.27Å; Q85-Y87 VanDerWaalsContact C-N 3.25Å; Q85-Y87 PolarHBondContact O-N 2.97Å; Q85-Y88 HydrophobicContact CB-CD2 4.47Å; Q85-Y88 HydrophobicContact CG-CD2 4.46Å; Q85-Y88 HydrophobicContact CG-CE2 4.31Å; Q85-Y88 PolarHBondContact O-N 2.59Å; Q85-Y119 HydrophobicContact CB-CD1 4.23Å; Q85-Y119 HydrophobicContact CB-CD2 4.31Å; Q85-Y119 HydrophobicContact CB-CE1 4.18Å; Q85-Y119 HydrophobicContact CB-CE2 4.32Å; Q85-Y119 HydrophobicContact CB-CG 4.32Å; Q85-Y119 HydrophobicContact CG-CD1 4.42Å; Q85-Y119 HydrophobicContact CG-CD2 3.85Å; Q85-Y119 HydrophobicContact CG-CE1 4.07Å; Q85-Y119 HydrophobicContact CG-CE2 3.51Å; Q85-Y119 HydrophobicContact CG-CG 4.34Å; Q85-Y119 PolarHBondContact NE2-OH 3.4Å; Q85-Y119 VanDerWaalsContact NE2-OH 3.13Å; Q85-Y119 PolarHBondContact OE1-OH 3.35Å
86	S	78.2	Confident	78.8	Confident	65 Å²	65	56.5 Å²	56.5	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-67.3	-28.6	179.1	67.3	0	0	0	0	112.3	I83 T84	I83-S86 PolarHBondContact O-OG 2.8Å; T84-S86 VanDerWaalsContact C-N 3.27Å; T84-S86 PolarHBondContact O-N 2.93Å
87	Y	79.6	Confident	80.2	Confident	74 Å²	74	56.1 Å²	56.1	29%	0.29	27%	0.267	S	S	.	.	H	α-helix	trans	-78.3	-23.3	-179.6	-60.4	-78.5	0	0	0	112.9	V53 W72 I83 T84 Q85 R89	V53-Y87 HydrophobicContact CB-CE2 4.1Å; V53-Y87 HydrophobicContact CG1-CD2 4.5Å; V53-Y87 HydrophobicContact CG1-CE2 4.27Å; V53-Y87 HydrophobicContact CG2-CD2 4.04Å; V53-Y87 HydrophobicContact CG2-CE2 3.63Å; W72-Y87 AromaticContact CD1-CD1 3.2Å; W72-Y87 AromaticContact CD1-CE1 3.47Å; W72-Y87 VanDerWaalsContact CD1-CE1 3.47Å; W72-Y87 AromaticContact CD1-CG 3.97Å; W72-Y87 HydrophobicContact CD2-CD1 4.45Å; W72-Y87 AromaticContact CG-CD1 3.95Å; W72-Y87 HydrophobicContact CG-CD1 3.95Å; W72-Y87 HydrophobicContact CG-CG 4.43Å; W72-Y87 AromaticContact NE1-CD1 3.27Å; W72-Y87 VanDerWaalsContact NE1-CD1 3.27Å; W72-Y87 AromaticContact NE1-CE1 3.45Å; I83-Y87 HydrophobicContact CG2-CE2 3.96Å; I83-Y87 WeakPolarHBondContact O-CD2 3.46Å; I83-Y87 VanDerWaalsContact O-CE2 3.24Å; I83-Y87 WeakPolarHBondContact O-CE2 3.44Å; T84-Y87 PolarHBondContact O-N 3.07Å; T84-Y87 VanDerWaalsContact O-N 3.08Å; Q85-Y87 VanDerWaalsContact C-N 3.25Å; Q85-Y87 PolarHBondContact O-N 2.97Å; Y87-R89 PolarHBondContact O-N 3.16Å
88	Y	82.1	Confident	81.7	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-37.2	178.8	-59.7	-23.9	0	0	0	112.9	V22 V24 T84 Q85 S90 A91 D115 V116 Y119 A120	V22-Y88 HydrophobicContact CB-CD1 4.49Å; V22-Y88 HydrophobicContact CG1-CD1 4.01Å; V22-Y88 HydrophobicContact CG1-CE1 4.18Å; V22-Y88 HydrophobicContact CG2-CD1 4.11Å; V22-Y88 HydrophobicContact CG2-CE1 3.87Å; V24-Y88 HydrophobicContact CG1-CE1 3.66Å; T84-Y88 HydrophobicContact CG2-CE1 3.57Å; T84-Y88 HydrophobicContact CG2-CE2 4.48Å; T84-Y88 VanDerWaalsContact CG2-OH 3.26Å; T84-Y88 WeakPolarHBondContact CG2-OH 3.4Å; Q85-Y88 HydrophobicContact CB-CD2 4.47Å; Q85-Y88 HydrophobicContact CG-CD2 4.46Å; Q85-Y88 HydrophobicContact CG-CE2 4.31Å; Q85-Y88 PolarHBondContact O-N 2.59Å; Y88-S90 PolarHBondContact O-N 2.94Å; Y88-A91 WeakPolarHBondContact O-CB 3.49Å; Y88-A91 PolarHBondContact O-N 2.68Å; Y88-D115 HydrophobicContact CE2-CB 4.44Å; Y88-V116 HydrophobicContact CE1-CG2 4.39Å; Y88-Y119 AromaticContact CD2-CD2 3.71Å; Y88-Y119 HydrophobicContact CD2-CD2 3.71Å; Y88-Y119 HydrophobicContact CD2-CG 4.03Å; Y88-Y119 HydrophobicContact CE2-CD2 4.18Å; Y88-A120 VanDerWaalsContact O-CB 3.26Å; Y88-A120 WeakPolarHBondContact O-CB 3.42Å
89	R	82.6	Confident	83.5	Confident	189 Å²	189	47.7 Å²	47.7	71%	0.713	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.8	-172.4	-72	-175.5	-177.9	140	0.7	115.2	Y87	Y87-R89 PolarHBondContact O-N 3.16Å
90	S	84.3	Confident	85.3	Confident	56 Å²	56	38.9 Å²	38.9	39%	0.392	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	7.3	179.3	72.3	0	0	0	0	113.4	K20 Y88	K20-S90 WeakPolarHBondContact CB-O 3.5Å; K20-S90 VanDerWaalsContact CD-O 3.27Å; K20-S90 WeakPolarHBondContact CD-O 3.5Å; K20-S90 PolarHBondContact NZ-OG 2.74Å; Y88-S90 PolarHBondContact O-N 2.94Å
91	A	92.7	Very high	87	Confident	14 Å²	14	38.1 Å²	38.1	12%	0.116	19%	0.193	C	C	.	.			trans	-72.3	129.6	179.3	0	0	0	0	0	110.2	K20 V22 Y88 I124	K20-A91 CarbonylContact O-C 3.41Å; V22-A91 HydrophobicContact CG1-CB 4.24Å; Y88-A91 WeakPolarHBondContact O-CB 3.49Å; Y88-A91 PolarHBondContact O-N 2.68Å; A91-I124 HydrophobicContact CB-CD1 3.72Å
92	N	95.1	Very high	88.5	Confident	44 Å²	44	38.7 Å²	38.7	24%	0.235	20%	0.198	C	C	.	.	S	Bend	trans	-80.8	-33.2	170.6	-57.8	104	0	0	0	110.7	F19 K20 I124 V125 L180	F19-N92 WeakPolarHBondContact CA-OD1 3.38Å; F19-N92 HydrophobicContact CB-CB 4.33Å; F19-N92 HydrophobicContact CD1-CB 4.1Å; K20-N92 PolarHBondContact N-OD1 3.02Å; K20-N92 PolarHBondContact O-N 2.85Å; N92-I124 WeakPolarHBondContact O-CG1 3.27Å; N92-V125 PolarHBondContact O-N 3.36Å; N92-L180 HydrophobicContact CB-CD1 3.99Å; N92-L180 HydrophobicContact CB-CD2 3.9Å; N92-L180 WeakPolarHBondContact O-CD2 3.38Å
93	G	96.8	Very high	90	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160.2	177.5	0	0	0	0	0	113.9	K20 L21 V22 V125	K20-G93 PolarHBondContact O-N 3.41Å; K20-G93 VanDerWaalsContact O-N 3.1Å; L21-G93 VanDerWaalsContact CA-O 3.32Å; L21-G93 WeakPolarHBondContact CA-O 3.42Å; V22-G93 PolarHBondContact N-O 2.98Å; G93-V125 CarbonylContact C-O 3.56Å; G93-V125 WeakPolarHBondContact CA-O 3.14Å
94	A	96.9	Very high	91.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.7	174.5	0	0	0	0	0	110.5	V22 V116 I124 V125 Q126 L127	V22-A94 HydrophobicContact CG1-CB 3.75Å; V22-A94 CarbonylContact O-C 3.57Å; V22-A94 WeakPolarHBondContact O-CA 3.27Å; A94-V116 HydrophobicContact CB-CG1 3.84Å; A94-V116 HydrophobicContact CB-CG2 4.24Å; A94-I124 HydrophobicContact CB-CD1 4.01Å; A94-V125 PolarHBondContact N-O 3.1Å; A94-Q126 HydrophobicContact CB-CG 4.45Å; A94-Q126 WeakPolarHBondContact O-CA 3.34Å; A94-L127 PolarHBondContact O-N 3.47Å
95	I	98.1	Very high	92.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.9	170.2	-62	176.1	0	0	0	107	V22 L23 V24 L127 I129 F173 V176	V22-I95 PolarHBondContact O-N 3.22Å; L23-I95 WeakPolarHBondContact CA-O 3.39Å; L23-I95 HydrophobicContact CD1-CB 3.59Å; L23-I95 HydrophobicContact CD1-CD1 3.86Å; L23-I95 HydrophobicContact CD1-CG1 4.14Å; L23-I95 HydrophobicContact CD1-CG2 4.06Å; L23-I95 HydrophobicContact CG-CB 4.03Å; L23-I95 HydrophobicContact CG-CG2 4.23Å; V24-I95 PolarHBondContact N-O 2.94Å; I95-L127 WeakPolarHBondContact CA-O 3.47Å; I95-L127 HydrophobicContact CG1-CB 4.44Å; I95-I129 HydrophobicContact CG2-CB 4.46Å; I95-I129 HydrophobicContact CG2-CD1 3.64Å; I95-I129 HydrophobicContact CG2-CG1 3.78Å; I95-I129 HydrophobicContact CG2-CG2 3.89Å; I95-F173 HydrophobicContact CD1-CD1 3.76Å; I95-F173 HydrophobicContact CD1-CE1 3.66Å; I95-F173 HydrophobicContact CD1-CG 4.36Å; I95-F173 HydrophobicContact CD1-CZ 4.17Å; I95-V176 HydrophobicContact CD1-CG2 4.36Å; I95-V176 HydrophobicContact CG1-CG2 4.09Å
96	L	97.9	Very high	93.7	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.6	178.2	-56.5	107.7	0	0	0	108.5	V24 W112 I113 Q126 L127 L128 I129 I155	V24-L96 HydrophobicContact CG2-CB 4.41Å; V24-L96 HydrophobicContact CG2-CD2 4.03Å; V24-L96 HydrophobicContact CG2-CG 3.92Å; L96-W112 HydrophobicContact CD2-CB 3.85Å; L96-I113 HydrophobicContact CD2-CB 4.38Å; L96-I113 HydrophobicContact CD2-CG1 3.55Å; L96-Q126 HydrophobicContact CD1-CB 3.9Å; L96-Q126 HydrophobicContact CD1-CG 4.38Å; L96-L127 PolarHBondContact N-O 3.07Å; L96-L128 HydrophobicContact CB-CD1 4.03Å; L96-I129 PolarHBondContact O-N 3.44Å; L96-I155 HydrophobicContact CD1-CD1 4.34Å
97	A	98.2	Very high	94.6	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.017	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.8	-176	0	0	0	0	0	111.7	V24 G25 V29 K31 I129	V24-A97 PolarHBondContact O-N 2.99Å; G25-A97 WeakPolarHBondContact CA-O 3.43Å; V29-A97 HydrophobicContact CG2-CB 3.9Å; K31-A97 HydrophobicContact CD-CB 4.36Å; K31-A97 HydrophobicContact CG-CB 3.79Å; A97-I129 WeakPolarHBondContact CA-O 3.29Å; A97-I129 HydrophobicContact CB-CD1 3.98Å; A97-I129 HydrophobicContact CB-CG1 3.71Å
98	Y	98.6	Very high	95.5	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	169.2	164.2	73.9	-83	0	0	0	109.9	I100 F106 V109 L128 I129 N131 V141 A146	Y98-I100 HydrophobicContact CE2-CB 4.5Å; Y98-I100 HydrophobicContact CE2-CG2 3.88Å; Y98-F106 AromaticContact CD1-CD2 3.92Å; Y98-F106 HydrophobicContact CD1-CD2 3.92Å; Y98-F106 HydrophobicContact CD2-CB 3.89Å; Y98-F106 AromaticContact CD2-CD2 3.84Å; Y98-F106 HydrophobicContact CD2-CD2 3.84Å; Y98-F106 HydrophobicContact CD2-CG 4.31Å; Y98-F106 AromaticContact CE1-CD2 3.94Å; Y98-F106 HydrophobicContact CE1-CD2 3.94Å; Y98-F106 HydrophobicContact CE1-CE2 4.27Å; Y98-F106 HydrophobicContact CE2-CB 4.46Å; Y98-F106 AromaticContact CE2-CD2 3.89Å; Y98-F106 HydrophobicContact CE2-CD2 3.89Å; Y98-F106 HydrophobicContact CG-CB 4.22Å; Y98-F106 AromaticContact CG-CD2 3.87Å; Y98-F106 HydrophobicContact CG-CD2 3.87Å; Y98-F106 AromaticContact CZ-CD2 3.94Å; Y98-V109 HydrophobicContact CD1-CG2 4.39Å; Y98-V109 HydrophobicContact CG-CG2 4.48Å; Y98-L128 HydrophobicContact CD1-CD1 3.74Å; Y98-L128 HydrophobicContact CD1-CG 4.21Å; Y98-L128 HydrophobicContact CE1-CD1 4.06Å; Y98-L128 HydrophobicContact CE1-CD2 4.29Å; Y98-L128 HydrophobicContact CE1-CG 3.99Å; Y98-I129 WeakPolarHBondContact CD1-O 3.4Å; Y98-I129 PolarHBondContact N-O 2.78Å; Y98-N131 PolarHBondContact O-N 2.98Å; Y98-V141 HydrophobicContact CD2-CG1 4.4Å; Y98-V141 HydrophobicContact CE2-CB 3.9Å; Y98-V141 HydrophobicContact CE2-CG1 3.58Å; Y98-V141 HydrophobicContact CE2-CG2 4.34Å; Y98-A146 HydrophobicContact CE1-CB 4.09Å; Y98-A146 WeakPolarHBondContact OH-CB 3.44Å
99	D	98.4	Very high	96.2	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.027	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.2	176	178.4	-4.2	0	0	0	109.2	V29 T101 K102 S105 K132	V29-D99 HydrophobicContact CB-CB 4.18Å; V29-D99 HydrophobicContact CG1-CB 4.17Å; D99-T101 PolarHBondContact O-N 3.25Å; D99-T101 VanDerWaalsContact O-N 3.14Å; D99-T101 PolarHBondContact OD1-N 3.14Å; D99-T101 PolarHBondContact OD1-OG1 2.83Å; D99-T101 VanDerWaalsContact OD1-OG1 3.12Å; D99-K102 HydrophobicContact CB-CB 4.04Å; D99-K102 PolarHBondContact O-N 3.05Å; D99-S105 PolarHBondContact N-OG 2.91Å; D99-S105 PolarHBondContact O-OG 3.22Å; D99-K132 WeakPolarHBondContact OD1-CD 3.42Å; D99-K132 WeakPolarHBondContact OD2-CD 3.31Å; D99-K132 WeakPolarHBondContact OD2-CE 3.36Å; D99-K132 IonicContact OD2-NZ 2.89Å; D99-K132 PolarHBondContact OD2-NZ 3.17Å
100	I	98.7	Very high	96.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.5	-177.8	68	149.5	0	0	0	112.8	Y98 K102 N131 K132 R139 E140 V141 E160	Y98-I100 HydrophobicContact CE2-CB 4.5Å; Y98-I100 HydrophobicContact CE2-CG2 3.88Å; I100-K102 VanDerWaalsContact C-N 3.35Å; I100-N131 WeakPolarHBondContact CG1-O 3.12Å; I100-N131 PolarHBondContact N-O 2.96Å; I100-K132 WeakPolarHBondContact CG1-O 3.49Å; I100-R139 HydrophobicContact CD1-CB 4.46Å; I100-E140 PolarHBondContact O-N 2.98Å; I100-V141 PolarHBondContact O-N 2.95Å; I100-E160 HydrophobicContact CG2-CG 4.26Å
101	T	98.6	Very high	97.3	Very high	27 Å²	27	30.3 Å²	30.3	17%	0.166	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	8.7	179	82.6	0	0	0	0	112.6	D99 L135 L138	D99-T101 PolarHBondContact O-N 3.25Å; D99-T101 VanDerWaalsContact O-N 3.14Å; D99-T101 PolarHBondContact OD1-N 3.14Å; D99-T101 PolarHBondContact OD1-OG1 2.83Å; D99-T101 VanDerWaalsContact OD1-OG1 3.12Å; T101-L135 HydrophobicContact CG2-CB 3.52Å; T101-L135 HydrophobicContact CG2-CD1 4.01Å; T101-L135 HydrophobicContact CG2-CG 4.41Å; T101-L138 VanDerWaalsContact CA-O 3.26Å; T101-L138 WeakPolarHBondContact CA-O 3.28Å; T101-L138 VanDerWaalsContact CB-O 3.29Å; T101-L138 WeakPolarHBondContact CB-O 3.3Å; T101-L138 HydrophobicContact CG2-CB 3.8Å
102	K	98.3	Very high	97.4	Very high	93 Å²	93	30.3 Å²	30.3	40%	0.404	15%	0.154	S	C	.	.			trans	-143.8	92.4	-177.1	-170.6	179.1	-178.3	-178.3	0	111	D99 I100 S104 S105	D99-K102 HydrophobicContact CB-CB 4.04Å; D99-K102 PolarHBondContact O-N 3.05Å; I100-K102 VanDerWaalsContact C-N 3.35Å; K102-S104 VanDerWaalsContact CE-OG 3.3Å; K102-S104 WeakPolarHBondContact CE-OG 3.46Å; K102-S104 PolarHBondContact O-N 3.22Å; K102-S104 VanDerWaalsContact O-N 3.15Å; K102-S105 WeakPolarHBondContact O-CB 3.3Å; K102-S105 PolarHBondContact O-N 3.22Å; K102-S105 PolarHBondContact O-OG 2.88Å
103	R	98.4	Very high	97.4	Very high	100 Å²	100	28.2 Å²	28.2	38%	0.377	14%	0.143	S	C	.	.	H	α-helix	trans	-55.4	-35.7	-176.5	-169.7	163.6	-169.1	73.2	16.5	113.6	S105 F106 L107 E140 V141 E145	R103-S105 PolarHBondContact O-N 3.18Å; R103-F106 WeakPolarHBondContact O-CB 3.47Å; R103-F106 PolarHBondContact O-N 2.64Å; R103-L107 HydrophobicContact CG-CG 4.49Å; R103-L107 WeakPolarHBondContact O-CG 3.3Å; R103-L107 PolarHBondContact O-N 3.21Å; R103-E140 HydrophobicContact CB-CB 4Å; R103-E140 VanDerWaalsContact CB-OE2 3.28Å; R103-E140 WeakPolarHBondContact CB-OE2 3.3Å; R103-E140 PolarHBondContact N-OE2 3.25Å; R103-E140 PolarHBondContact NH1-O 3.35Å; R103-V141 HydrophobicContact CB-CG2 4.35Å; R103-V141 HydrophobicContact CG-CG2 4.4Å; R103-E145 IonicContact CZ-OE1 2.73Å; R103-E145 VanDerWaalsContact CZ-OE1 3.26Å; R103-E145 IonicContact CZ-OE2 2.72Å; R103-E145 IonicContact NH1-OE1 3.26Å; R103-E145 PolarHBondContact NH1-OE1 2.8Å; R103-E145 IonicContact NH1-OE2 3.87Å; R103-E145 PolarHBondContact NH1-OE2 2.82Å; R103-E145 IonicContact NH2-OE1 2.67Å; R103-E145 PolarHBondContact NH2-OE1 3.47Å; R103-E145 IonicContact NH2-OE2 2.98Å
104	S	97.8	Very high	97.2	Very high	59 Å²	59	33.6 Å²	33.6	41%	0.413	17%	0.168	S	C	.	.	H	α-helix	trans	-57.8	-35.3	177.6	76.2	0	0	0	0	112.3	K102 F106 L107 S108	K102-S104 VanDerWaalsContact CE-OG 3.3Å; K102-S104 WeakPolarHBondContact CE-OG 3.46Å; K102-S104 PolarHBondContact O-N 3.22Å; K102-S104 VanDerWaalsContact O-N 3.15Å; S104-F106 VanDerWaalsContact C-N 3.32Å; S104-F106 PolarHBondContact O-N 2.71Å; S104-L107 PolarHBondContact O-N 3.21Å; S104-S108 PolarHBondContact O-N 3.48Å; S104-S108 PolarHBondContact O-OG 3.36Å
105	S	97.9	Very high	96.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-69.3	-31.1	178.9	72.4	0	0	0	0	112.7	D26 D99 K102 R103	D26-S105 WeakPolarHBondContact OD2-CA 3.4Å; D99-S105 PolarHBondContact N-OG 2.91Å; D99-S105 PolarHBondContact O-OG 3.22Å; K102-S105 WeakPolarHBondContact O-CB 3.3Å; K102-S105 PolarHBondContact O-N 3.22Å; K102-S105 PolarHBondContact O-OG 2.88Å; R103-S105 PolarHBondContact O-N 3.18Å
106	F	98.6	Very high	96.6	Very high	12 Å²	12	34.7 Å²	34.7	5%	0.053	17%	0.174	C	C	.	.	H	α-helix	trans	-73.2	-40	173.7	-177.6	-103.5	0	0	0	111.7	Y98 R103 S104 S108 V109 L128 V141 E145 A146 L149	Y98-F106 AromaticContact CD1-CD2 3.92Å; Y98-F106 HydrophobicContact CD1-CD2 3.92Å; Y98-F106 HydrophobicContact CD2-CB 3.89Å; Y98-F106 AromaticContact CD2-CD2 3.84Å; Y98-F106 HydrophobicContact CD2-CD2 3.84Å; Y98-F106 HydrophobicContact CD2-CG 4.31Å; Y98-F106 AromaticContact CE1-CD2 3.94Å; Y98-F106 HydrophobicContact CE1-CD2 3.94Å; Y98-F106 HydrophobicContact CE1-CE2 4.27Å; Y98-F106 HydrophobicContact CE2-CB 4.46Å; Y98-F106 AromaticContact CE2-CD2 3.89Å; Y98-F106 HydrophobicContact CE2-CD2 3.89Å; Y98-F106 HydrophobicContact CG-CB 4.22Å; Y98-F106 AromaticContact CG-CD2 3.87Å; Y98-F106 HydrophobicContact CG-CD2 3.87Å; Y98-F106 AromaticContact CZ-CD2 3.94Å; R103-F106 WeakPolarHBondContact O-CB 3.47Å; R103-F106 PolarHBondContact O-N 2.64Å; S104-F106 VanDerWaalsContact C-N 3.32Å; S104-F106 PolarHBondContact O-N 2.71Å; F106-S108 PolarHBondContact O-N 2.96Å; F106-V109 HydrophobicContact CD2-CG2 4.4Å; F106-V109 VanDerWaalsContact O-CB 3.27Å; F106-V109 WeakPolarHBondContact O-CB 3.45Å; F106-V109 WeakPolarHBondContact O-CG2 3.33Å; F106-V109 PolarHBondContact O-N 3Å; F106-L128 HydrophobicContact CE2-CD2 4.34Å; F106-V141 HydrophobicContact CB-CG1 4.22Å; F106-V141 HydrophobicContact CB-CG2 3.72Å; F106-V141 HydrophobicContact CD1-CG1 4.06Å; F106-V141 HydrophobicContact CD1-CG2 4.48Å; F106-V141 HydrophobicContact CD2-CG1 3.8Å; F106-V141 HydrophobicContact CE1-CG1 4.4Å; F106-V141 HydrophobicContact CE2-CG1 4.14Å; F106-V141 HydrophobicContact CG-CG1 3.75Å; F106-V141 HydrophobicContact CG-CG2 4.11Å; F106-V141 HydrophobicContact CZ-CG1 4.42Å; F106-E145 HydrophobicContact CD1-CG 4.15Å; F106-E145 WeakPolarHBondContact CD1-OE1 3.32Å; F106-E145 HydrophobicContact CE1-CG 3.3Å; F106-E145 WeakPolarHBondContact CE1-OE1 3.36Å; F106-E145 HydrophobicContact CE2-CG 4.36Å; F106-E145 HydrophobicContact CZ-CG 3.42Å; F106-E145 VanDerWaalsContact CZ-CG 3.42Å; F106-A146 HydrophobicContact CE2-CB 3.84Å; F106-A146 HydrophobicContact CZ-CB 4.41Å; F106-L149 HydrophobicContact CE1-CD2 4.36Å; F106-L149 HydrophobicContact CE2-CB 4.44Å; F106-L149 HydrophobicContact CE2-CD2 3.67Å; F106-L149 HydrophobicContact CZ-CB 3.9Å; F106-L149 HydrophobicContact CZ-CD2 3.59Å; F106-L149 HydrophobicContact CZ-CG 4.24Å
107	L	98.1	Very high	96.3	Very high	108 Å²	108	37 Å²	37	57%	0.565	18%	0.183	S	C	*	.	H	α-helix	trans	-63.1	-23.9	174.6	-63.9	177.9	0	0	0	113.1	R103 S104	R103-L107 HydrophobicContact CG-CG 4.49Å; R103-L107 WeakPolarHBondContact O-CG 3.3Å; R103-L107 PolarHBondContact O-N 3.21Å; S104-L107 PolarHBondContact O-N 3.21Å
108	S	96.8	Very high	95.9	Very high	31 Å²	31	44 Å²	44	22%	0.217	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-19.4	172.9	-59.2	0	0	0	0	113.6	D26 S104 F106 H111 W112	D26-S108 WeakPolarHBondContact OD1-CB 3.19Å; D26-S108 PolarHBondContact OD1-OG 2.99Å; D26-S108 WeakPolarHBondContact OD2-CB 3.46Å; D26-S108 PolarHBondContact OD2-OG 2.96Å; S104-S108 PolarHBondContact O-N 3.48Å; S104-S108 PolarHBondContact O-OG 3.36Å; F106-S108 PolarHBondContact O-N 2.96Å; S108-H111 WeakPolarHBondContact O-CB 3.27Å; S108-H111 PolarHBondContact O-N 3.26Å; S108-W112 VanDerWaalsContact O-CD1 3.23Å; S108-W112 PolarHBondContact O-N 3Å
109	V	97.3	Very high	95.4	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-55.3	-46.6	-174.3	171.9	0	0	0	0	113	Y98 F106 H111 W112 I113 L128 L149	Y98-V109 HydrophobicContact CD1-CG2 4.39Å; Y98-V109 HydrophobicContact CG-CG2 4.48Å; F106-V109 HydrophobicContact CD2-CG2 4.4Å; F106-V109 VanDerWaalsContact O-CB 3.27Å; F106-V109 WeakPolarHBondContact O-CB 3.45Å; F106-V109 WeakPolarHBondContact O-CG2 3.33Å; F106-V109 PolarHBondContact O-N 3Å; V109-H111 VanDerWaalsContact C-N 3.26Å; V109-H111 PolarHBondContact O-N 3.43Å; V109-W112 WeakPolarHBondContact O-CA 3.26Å; V109-W112 WeakPolarHBondContact O-CB 3.35Å; V109-W112 PolarHBondContact O-N 2.71Å; V109-I113 HydrophobicContact CG1-CD1 3.78Å; V109-I113 HydrophobicContact CG1-CG1 4.15Å; V109-I113 WeakPolarHBondContact O-CG1 3.21Å; V109-I113 PolarHBondContact O-N 3.23Å; V109-L128 HydrophobicContact CG1-CD1 3.74Å; V109-L128 HydrophobicContact CG2-CD1 4.06Å; V109-L149 HydrophobicContact CB-CD2 4.02Å; V109-L149 HydrophobicContact CG1-CD2 3.66Å
110	P	97.1	Very high	94.9	Very high	26 Å²	26	47.6 Å²	47.6	17%	0.169	23%	0.232	C	C	.	.	H	α-helix	trans	-49.4	-43.7	173.6	-33	39.1	0	0	0	114.3	W112 I113 E114 L149 Y153	P110-W112 VanDerWaalsContact C-N 3.33Å; P110-W112 PolarHBondContact O-N 3.38Å; P110-I113 WeakPolarHBondContact O-CB 3.23Å; P110-I113 PolarHBondContact O-N 2.94Å; P110-E114 WeakPolarHBondContact O-CG 3.3Å; P110-E114 PolarHBondContact O-N 2.89Å; P110-L149 HydrophobicContact CG-CD1 4.39Å; P110-Y153 HydrophobicContact CB-CE2 4.45Å; P110-Y153 HydrophobicContact CG-CE2 4.28Å
111	H	93.9	Very high	94.1	Very high	111 Å²	111	49 Å²	49	51%	0.514	25%	0.247	S	C	.	.	H	α-helix	trans	-66	-36.3	178.8	-63.6	86.7	0	0	0	111.9	S108 V109 D115	S108-H111 WeakPolarHBondContact O-CB 3.27Å; S108-H111 PolarHBondContact O-N 3.26Å; V109-H111 VanDerWaalsContact C-N 3.26Å; V109-H111 PolarHBondContact O-N 3.43Å; H111-D115 WeakPolarHBondContact O-CB 3.42Å; H111-D115 PolarHBondContact O-N 3.42Å
112	W	94.1	Very high	93.2	Very high	13 Å²	13	55.4 Å²	55.4	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-69	-37.9	175	-69.3	111	0	0	0	112.2	V24 G25 D26 R81 L96 S108 V109 P110 D115 V116	V24-W112 HydrophobicContact CB-CD2 4.4Å; V24-W112 HydrophobicContact CB-CE3 3.88Å; V24-W112 HydrophobicContact CB-CZ3 4.34Å; V24-W112 HydrophobicContact CG1-CE3 4.5Å; V24-W112 HydrophobicContact CG2-CB 4.33Å; V24-W112 HydrophobicContact CG2-CE3 4.48Å; G25-W112 WeakPolarHBondContact O-CZ2 3.26Å; D26-W112 PolarHBondContact OD1-NE1 3.39Å; R81-W112 HydrophobicContact CG-CH2 4.46Å; L96-W112 HydrophobicContact CD2-CB 3.85Å; S108-W112 VanDerWaalsContact O-CD1 3.23Å; S108-W112 PolarHBondContact O-N 3Å; V109-W112 WeakPolarHBondContact O-CA 3.26Å; V109-W112 WeakPolarHBondContact O-CB 3.35Å; V109-W112 PolarHBondContact O-N 2.71Å; P110-W112 VanDerWaalsContact C-N 3.33Å; P110-W112 PolarHBondContact O-N 3.38Å; W112-D115 PolarHBondContact O-N 3.46Å; W112-V116 WeakPolarHBondContact O-CG2 3.09Å; W112-V116 PolarHBondContact O-N 2.84Å
113	I	94.4	Very high	92.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-49.1	174.2	-63.9	165.5	0	0	0	110.1	L96 V109 P110 V116 R117 Y153 I155	L96-I113 HydrophobicContact CD2-CB 4.38Å; L96-I113 HydrophobicContact CD2-CG1 3.55Å; V109-I113 HydrophobicContact CG1-CD1 3.78Å; V109-I113 HydrophobicContact CG1-CG1 4.15Å; V109-I113 WeakPolarHBondContact O-CG1 3.21Å; V109-I113 PolarHBondContact O-N 3.23Å; P110-I113 WeakPolarHBondContact O-CB 3.23Å; P110-I113 PolarHBondContact O-N 2.94Å; I113-V116 PolarHBondContact O-N 3.49Å; I113-R117 HydrophobicContact CG2-CG 4.46Å; I113-R117 WeakPolarHBondContact O-CB 3.42Å; I113-R117 WeakPolarHBondContact O-CG 3.32Å; I113-R117 PolarHBondContact O-N 3.37Å; I113-Y153 HydrophobicContact CD1-CD1 4.12Å; I113-Y153 HydrophobicContact CD1-CD2 3.76Å; I113-Y153 HydrophobicContact CD1-CE2 4.25Å; I113-Y153 HydrophobicContact CD1-CG 3.7Å; I113-Y153 HydrophobicContact CG2-CD1 3.92Å; I113-Y153 HydrophobicContact CG2-CG 4.37Å; I113-I155 HydrophobicContact CD1-CD1 3.49Å; I113-I155 VanDerWaalsContact CD1-CD1 3.49Å; I113-I155 HydrophobicContact CG1-CD1 3.89Å
114	E	92.8	Very high	92.4	Very high	114 Å²	114	53.8 Å²	53.8	53%	0.533	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-45.8	178.7	-73.4	175.7	-171.5	0	0	111.9	P110 R117 K118	P110-E114 WeakPolarHBondContact O-CG 3.3Å; P110-E114 PolarHBondContact O-N 2.89Å; E114-R117 PolarHBondContact O-N 3.43Å; E114-K118 VanDerWaalsContact O-CB 3.25Å; E114-K118 WeakPolarHBondContact O-CB 3.43Å; E114-K118 PolarHBondContact O-N 2.73Å
115	D	90.5	Very high	92.3	Very high	22 Å²	22	51 Å²	51	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-50.1	175.6	-96.5	1.6	0	0	0	111	R81 Y88 H111 W112 R117 K118 Y119	R81-D115 IonicContact CZ-OD2 2.99Å; R81-D115 VanDerWaalsContact CZ-OD2 3.24Å; R81-D115 IonicContact NE-OD2 2.98Å; R81-D115 PolarHBondContact NE-OD2 3.49Å; R81-D115 IonicContact NH2-OD1 3.85Å; R81-D115 IonicContact NH2-OD2 3.7Å; R81-D115 PolarHBondContact NH2-OD2 2.86Å; Y88-D115 HydrophobicContact CE2-CB 4.44Å; H111-D115 WeakPolarHBondContact O-CB 3.42Å; H111-D115 PolarHBondContact O-N 3.42Å; W112-D115 PolarHBondContact O-N 3.46Å; D115-R117 PolarHBondContact O-N 2.99Å; D115-K118 PolarHBondContact O-N 2.89Å; D115-Y119 WeakPolarHBondContact O-CD2 3.4Å; D115-Y119 PolarHBondContact O-N 3.42Å
116	V	91.8	Very high	92.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-49.1	179.3	168.1	0	0	0	0	110.8	V24 Y88 A94 W112 I113 K118 Y119 A120 I124	V24-V116 HydrophobicContact CG1-CG2 4.4Å; V24-V116 HydrophobicContact CG2-CG2 3.99Å; Y88-V116 HydrophobicContact CE1-CG2 4.39Å; A94-V116 HydrophobicContact CB-CG1 3.84Å; A94-V116 HydrophobicContact CB-CG2 4.24Å; W112-V116 WeakPolarHBondContact O-CG2 3.09Å; W112-V116 PolarHBondContact O-N 2.84Å; I113-V116 PolarHBondContact O-N 3.49Å; V116-K118 VanDerWaalsContact C-N 3.31Å; V116-K118 PolarHBondContact O-N 2.95Å; V116-Y119 PolarHBondContact O-N 3.41Å; V116-A120 HydrophobicContact CG1-CB 4.41Å; V116-A120 VanDerWaalsContact O-CB 3.28Å; V116-A120 WeakPolarHBondContact O-CB 3.28Å; V116-A120 PolarHBondContact O-N 2.96Å; V116-I124 HydrophobicContact CG1-CD1 3.91Å; V116-I124 HydrophobicContact CG1-CG2 3.9Å
117	R	92.4	Very high	92.3	Very high	52 Å²	52	50.8 Å²	50.8	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-38.9	-179.8	-75.2	177.4	167.5	179.1	-8.9	112.7	I113 E114 D115 Y119 G121 F122 Y153	I113-R117 HydrophobicContact CG2-CG 4.46Å; I113-R117 WeakPolarHBondContact O-CB 3.42Å; I113-R117 WeakPolarHBondContact O-CG 3.32Å; I113-R117 PolarHBondContact O-N 3.37Å; E114-R117 PolarHBondContact O-N 3.43Å; D115-R117 PolarHBondContact O-N 2.99Å; R117-Y119 VanDerWaalsContact C-N 3.27Å; R117-Y119 PolarHBondContact O-N 3.16Å; R117-G121 WeakPolarHBondContact O-CA 3.5Å; R117-G121 PolarHBondContact O-N 3.1Å; R117-G121 VanDerWaalsContact O-N 3.07Å; R117-F122 HydrophobicContact CG-CD1 4.46Å; R117-Y153 PolarHBondContact NH2-O 3.5Å
118	K	90.5	Very high	92.4	Very high	148 Å²	148	45.6 Å²	45.6	64%	0.643	23%	0.228	S	C	*	.	H	α-helix	trans	-60.1	-35.1	-179.6	-179	176.7	178.4	-176.3	0	112.9	E114 D115 V116	E114-K118 VanDerWaalsContact O-CB 3.25Å; E114-K118 WeakPolarHBondContact O-CB 3.43Å; E114-K118 PolarHBondContact O-N 2.73Å; D115-K118 PolarHBondContact O-N 2.89Å; V116-K118 VanDerWaalsContact C-N 3.31Å; V116-K118 PolarHBondContact O-N 2.95Å
119	Y	88.2	Confident	92.5	Very high	53 Å²	53	44.1 Å²	44.1	21%	0.208	22%	0.218	C	C	.	.	H	α-helix	trans	-110.3	-28.1	-173.2	-62	-78	0	0	0	114.5	Q85 Y88 D115 V116 R117	Q85-Y119 HydrophobicContact CB-CD1 4.23Å; Q85-Y119 HydrophobicContact CB-CD2 4.31Å; Q85-Y119 HydrophobicContact CB-CE1 4.18Å; Q85-Y119 HydrophobicContact CB-CE2 4.32Å; Q85-Y119 HydrophobicContact CB-CG 4.32Å; Q85-Y119 HydrophobicContact CG-CD1 4.42Å; Q85-Y119 HydrophobicContact CG-CD2 3.85Å; Q85-Y119 HydrophobicContact CG-CE1 4.07Å; Q85-Y119 HydrophobicContact CG-CE2 3.51Å; Q85-Y119 HydrophobicContact CG-CG 4.34Å; Q85-Y119 PolarHBondContact NE2-OH 3.4Å; Q85-Y119 VanDerWaalsContact NE2-OH 3.13Å; Q85-Y119 PolarHBondContact OE1-OH 3.35Å; Y88-Y119 AromaticContact CD2-CD2 3.71Å; Y88-Y119 HydrophobicContact CD2-CD2 3.71Å; Y88-Y119 HydrophobicContact CD2-CG 4.03Å; Y88-Y119 HydrophobicContact CE2-CD2 4.18Å; D115-Y119 WeakPolarHBondContact O-CD2 3.4Å; D115-Y119 PolarHBondContact O-N 3.42Å; V116-Y119 PolarHBondContact O-N 3.41Å; R117-Y119 VanDerWaalsContact C-N 3.27Å; R117-Y119 PolarHBondContact O-N 3.16Å
120	A	87.4	Confident	92.5	Very high	28 Å²	28	44.1 Å²	44.1	23%	0.231	22%	0.218	C	C	.	.	H	α-helix	trans	-94.7	-16.1	177.8	0	0	0	0	0	113.6	Y88 V116 I124	Y88-A120 VanDerWaalsContact O-CB 3.26Å; Y88-A120 WeakPolarHBondContact O-CB 3.42Å; V116-A120 HydrophobicContact CG1-CB 4.41Å; V116-A120 VanDerWaalsContact O-CB 3.28Å; V116-A120 WeakPolarHBondContact O-CB 3.28Å; V116-A120 PolarHBondContact O-N 2.96Å; A120-I124 HydrophobicContact CB-CB 4.17Å; A120-I124 HydrophobicContact CB-CD1 3.55Å; A120-I124 HydrophobicContact CB-CG1 4.42Å; A120-I124 HydrophobicContact CB-CG2 4.22Å
121	G	80.9	Confident	92.6	Very high	30 Å²	30	43 Å²	43	31%	0.309	21%	0.21	S	C	.	.			trans	83.6	173.9	-171.7	0	0	0	0	0	113.1	R117 I124	R117-G121 WeakPolarHBondContact O-CA 3.5Å; R117-G121 PolarHBondContact O-N 3.1Å; R117-G121 VanDerWaalsContact O-N 3.07Å; G121-I124 WeakPolarHBondContact O-CG2 3.41Å
122	F	80.6	Confident	92.8	Very high	161 Å²	161	40.3 Å²	40.3	71%	0.706	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-18	-172.2	-70.1	-85.5	0	0	0	114.6	R117 I124	R117-F122 HydrophobicContact CG-CD1 4.46Å; F122-I124 VanDerWaalsContact C-N 3.31Å; F122-I124 PolarHBondContact O-N 2.94Å
123	N	84.8	Confident	93	Very high	146 Å²	146	40.9 Å²	40.9	78%	0.781	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-6.2	-174.7	-67.1	-13.2	0	0	0	114.1	V125 R183	N123-V125 PolarHBondContact O-N 3.46Å; N123-R183 PolarHBondContact O-NH1 2.96Å; N123-R183 VanDerWaalsContact O-NH1 3.07Å
124	I	94	Very high	93.2	Very high	13 Å²	13	43 Å²	43	7%	0.067	22%	0.215	C	C	.	.	S	Bend	trans	-62.4	132.3	179.1	-169.8	168.3	0	0	0	110.8	A91 N92 A94 V116 A120 G121 F122 Q126	A91-I124 HydrophobicContact CB-CD1 3.72Å; N92-I124 WeakPolarHBondContact O-CG1 3.27Å; A94-I124 HydrophobicContact CB-CD1 4.01Å; V116-I124 HydrophobicContact CG1-CD1 3.91Å; V116-I124 HydrophobicContact CG1-CG2 3.9Å; A120-I124 HydrophobicContact CB-CB 4.17Å; A120-I124 HydrophobicContact CB-CD1 3.55Å; A120-I124 HydrophobicContact CB-CG1 4.42Å; A120-I124 HydrophobicContact CB-CG2 4.22Å; G121-I124 WeakPolarHBondContact O-CG2 3.41Å; F122-I124 VanDerWaalsContact C-N 3.31Å; F122-I124 PolarHBondContact O-N 2.94Å; I124-Q126 HydrophobicContact CG2-CG 4.02Å; I124-Q126 PolarHBondContact O-N 3.38Å
125	V	96.9	Very high	93.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.9	175	174.5	0	0	0	0	108.9	N92 G93 A94 N123 L156 V176 E179 L180	N92-V125 PolarHBondContact O-N 3.36Å; G93-V125 CarbonylContact C-O 3.56Å; G93-V125 WeakPolarHBondContact CA-O 3.14Å; A94-V125 PolarHBondContact N-O 3.1Å; N123-V125 PolarHBondContact O-N 3.46Å; V125-L156 HydrophobicContact CG1-CD2 4.2Å; V125-V176 HydrophobicContact CG1-CG1 4.09Å; V125-E179 HydrophobicContact CB-CG 4.39Å; V125-E179 HydrophobicContact CG1-CB 4.07Å; V125-E179 HydrophobicContact CG1-CG 3.71Å; V125-E179 HydrophobicContact CG2-CG 3.68Å; V125-L180 HydrophobicContact CB-CD2 3.95Å; V125-L180 HydrophobicContact CB-CG 4.22Å; V125-L180 HydrophobicContact CG2-CD2 3.44Å; V125-L180 VanDerWaalsContact CG2-CD2 3.44Å; V125-L180 HydrophobicContact CG2-CG 3.94Å
126	Q	97.9	Very high	93.7	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.7	-179.3	-62.1	-176.1	46.1	0	0	110.1	A94 L96 I124 I155 L156	A94-Q126 HydrophobicContact CB-CG 4.45Å; A94-Q126 WeakPolarHBondContact O-CA 3.34Å; L96-Q126 HydrophobicContact CD1-CB 3.9Å; L96-Q126 HydrophobicContact CD1-CG 4.38Å; I124-Q126 HydrophobicContact CG2-CG 4.02Å; I124-Q126 PolarHBondContact O-N 3.38Å; Q126-I155 HydrophobicContact CB-CB 4.49Å; Q126-I155 HydrophobicContact CB-CG1 4.14Å; Q126-I155 HydrophobicContact CB-CG2 4.07Å; Q126-I155 WeakPolarHBondContact O-CG2 3.43Å; Q126-L156 WeakPolarHBondContact O-CB 3.15Å; Q126-L156 PolarHBondContact O-N 2.55Å
127	L	98.6	Very high	94	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135	171.6	-179.1	82.4	0	0	0	109.3	A94 I95 L96 I129 L156 C157 I159 A172 V176	A94-L127 PolarHBondContact O-N 3.47Å; I95-L127 WeakPolarHBondContact CA-O 3.47Å; I95-L127 HydrophobicContact CG1-CB 4.44Å; L96-L127 PolarHBondContact N-O 3.07Å; L127-I129 HydrophobicContact CD2-CG2 3.77Å; L127-I129 HydrophobicContact CG-CG2 4.25Å; L127-L156 HydrophobicContact CD1-CD2 4.49Å; L127-C157 WeakPolarHBondContact CD1-O 3.41Å; L127-C157 WeakPolarHBondContact CD1-SG 3.25Å; L127-I159 HydrophobicContact CD2-CD1 4.13Å; L127-I159 HydrophobicContact CD2-CG1 4.44Å; L127-A172 HydrophobicContact CD2-CB 3.76Å; L127-A172 WeakPolarHBondContact CD2-O 3.46Å; L127-V176 HydrophobicContact CB-CG2 3.53Å; L127-V176 HydrophobicContact CD2-CG2 3.94Å; L127-V176 HydrophobicContact CG-CG2 4.25Å
128	L	98.8	Very high	94.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.1	173.3	-177.8	61.3	0	0	0	110.3	L96 Y98 F106 V109 A146 L149 I155 C157 A158 I159	L96-L128 HydrophobicContact CB-CD1 4.03Å; Y98-L128 HydrophobicContact CD1-CD1 3.74Å; Y98-L128 HydrophobicContact CD1-CG 4.21Å; Y98-L128 HydrophobicContact CE1-CD1 4.06Å; Y98-L128 HydrophobicContact CE1-CD2 4.29Å; Y98-L128 HydrophobicContact CE1-CG 3.99Å; F106-L128 HydrophobicContact CE2-CD2 4.34Å; V109-L128 HydrophobicContact CG1-CD1 3.74Å; V109-L128 HydrophobicContact CG2-CD1 4.06Å; L128-A146 HydrophobicContact CD2-CB 4.11Å; L128-L149 HydrophobicContact CD2-CD2 4.19Å; L128-I155 HydrophobicContact CB-CG2 4.28Å; L128-C157 PolarHBondContact N-O 3.39Å; L128-C157 VanDerWaalsContact N-O 3.07Å; L128-A158 HydrophobicContact CB-CB 4.12Å; L128-A158 HydrophobicContact CD2-CB 4.08Å; L128-A158 HydrophobicContact CG-CB 4.3Å; L128-A158 WeakPolarHBondContact O-CA 3.5Å; L128-I159 PolarHBondContact O-N 3.03Å
129	I	98.8	Very high	94.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.2	174.2	67.1	171.6	0	0	0	111.7	V34 I95 L96 A97 Y98 L127 I159 T161 A172	V34-I129 HydrophobicContact CG1-CD1 4.17Å; V34-I129 HydrophobicContact CG2-CD1 4.31Å; I95-I129 HydrophobicContact CG2-CB 4.46Å; I95-I129 HydrophobicContact CG2-CD1 3.64Å; I95-I129 HydrophobicContact CG2-CG1 3.78Å; I95-I129 HydrophobicContact CG2-CG2 3.89Å; L96-I129 PolarHBondContact O-N 3.44Å; A97-I129 WeakPolarHBondContact CA-O 3.29Å; A97-I129 HydrophobicContact CB-CD1 3.98Å; A97-I129 HydrophobicContact CB-CG1 3.71Å; Y98-I129 WeakPolarHBondContact CD1-O 3.4Å; Y98-I129 PolarHBondContact N-O 2.78Å; L127-I129 HydrophobicContact CD2-CG2 3.77Å; L127-I129 HydrophobicContact CG-CG2 4.25Å; I129-I159 CarbonylContact C-O 3.44Å; I129-I159 VanDerWaalsContact CA-O 3.3Å; I129-I159 WeakPolarHBondContact CA-O 3.47Å; I129-I159 HydrophobicContact CG2-CD1 4.31Å; I129-I159 HydrophobicContact CG2-CG1 3.9Å; I129-T161 HydrophobicContact CB-CG2 4.08Å; I129-T161 HydrophobicContact CG2-CG2 4.09Å; I129-A172 HydrophobicContact CG2-CB 4.11Å
130	G	98.7	Very high	95.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	99.8	166.5	0	0	0	0	0	109.9	I159 E160 T161	G130-I159 PolarHBondContact N-O 3.22Å; G130-E160 CarbonylContact O-C 3.58Å; G130-E160 VanDerWaalsContact O-CA 3.24Å; G130-E160 WeakPolarHBondContact O-CA 3.38Å; G130-T161 PolarHBondContact O-N 3.28Å
131	N	98.6	Very high	95.6	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	166.2	-176.8	-167.9	36.7	0	0	0	112	V29 Y98 I100 T161 A163	V29-N131 PolarHBondContact O-ND2 2.88Å; Y98-N131 PolarHBondContact O-N 2.98Å; I100-N131 WeakPolarHBondContact CG1-O 3.12Å; I100-N131 PolarHBondContact N-O 2.96Å; N131-T161 CarbonylContact C-O 3.46Å; N131-T161 WeakPolarHBondContact CA-O 3.26Å; N131-T161 PolarHBondContact OD1-O 2.91Å; N131-T161 PolarHBondContact OD1-OG1 3.29Å; N131-T161 VanDerWaalsContact OD1-OG1 3.06Å; N131-A163 PolarHBondContact OD1-N 3.07Å
132	K	98.2	Very high	96.5	Very high	53 Å²	53	52.8 Å²	52.8	23%	0.23	27%	0.266	C	S	.	.			trans	68.6	34.5	-177.6	-45.3	-170.1	-165.2	166.4	0	114.1	S28 D99 I100 D134 L135 T161	S28-K132 PolarHBondContact O-NZ 3.43Å; D99-K132 WeakPolarHBondContact OD1-CD 3.42Å; D99-K132 WeakPolarHBondContact OD2-CD 3.31Å; D99-K132 WeakPolarHBondContact OD2-CE 3.36Å; D99-K132 IonicContact OD2-NZ 2.89Å; D99-K132 PolarHBondContact OD2-NZ 3.17Å; I100-K132 WeakPolarHBondContact CG1-O 3.49Å; K132-D134 WeakPolarHBondContact CA-OD1 3.43Å; K132-D134 PolarHBondContact O-N 3.47Å; K132-D134 VanDerWaalsContact O-N 3.12Å; K132-L135 HydrophobicContact CB-CD1 4.2Å; K132-L135 HydrophobicContact CD-CD1 4.26Å; K132-L135 WeakPolarHBondContact O-CB 3.36Å; K132-L135 PolarHBondContact O-N 3.37Å; K132-T161 PolarHBondContact N-O 3.31Å; K132-T161 VanDerWaalsContact N-O 3.07Å
133	S	98.4	Very high	97.3	Very high	26 Å²	26	48 Å²	48	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.6	174.2	51.7	0	0	0	0	114.7	L135 T161 S162	S133-L135 PolarHBondContact O-N 3.39Å; S133-T161 PolarHBondContact N-O 3.42Å; S133-T161 VanDerWaalsContact N-O 3.08Å; S133-T161 PolarHBondContact OG-O 3.41Å; S133-S162 PolarHBondContact OG-N 3.41Å
134	D	98.1	Very high	98	Very high	44 Å²	44	43.9 Å²	43.9	24%	0.235	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.7	169.9	54.1	-75.6	0	0	0	113.6	K132 S136 S162 K164 D165	K132-D134 WeakPolarHBondContact CA-OD1 3.43Å; K132-D134 PolarHBondContact O-N 3.47Å; K132-D134 VanDerWaalsContact O-N 3.12Å; D134-S136 PolarHBondContact O-N 3.39Å; D134-S162 VanDerWaalsContact CG-OG 3.3Å; D134-S162 VanDerWaalsContact OD1-CB 3.32Å; D134-S162 WeakPolarHBondContact OD1-CB 3.47Å; D134-S162 PolarHBondContact OD1-OG 2.99Å; D134-K164 WeakPolarHBondContact OD2-CD 3.48Å; D134-D165 WeakPolarHBondContact CB-OD2 3.45Å
135	L	97.1	Very high	98.2	Very high	60 Å²	60	45.3 Å²	45.3	31%	0.314	24%	0.24	S	C	.	.			trans	-98.7	48.1	178.5	-58.6	178.8	0	0	0	111.7	T101 K132 S133 E137 L138	T101-L135 HydrophobicContact CG2-CB 3.52Å; T101-L135 HydrophobicContact CG2-CD1 4.01Å; T101-L135 HydrophobicContact CG2-CG 4.41Å; K132-L135 HydrophobicContact CB-CD1 4.2Å; K132-L135 HydrophobicContact CD-CD1 4.26Å; K132-L135 WeakPolarHBondContact O-CB 3.36Å; K132-L135 PolarHBondContact O-N 3.37Å; S133-L135 PolarHBondContact O-N 3.39Å; L135-E137 PolarHBondContact O-N 2.91Å; L135-E137 VanDerWaalsContact O-N 3.17Å; L135-L138 HydrophobicContact CB-CB 4.48Å; L135-L138 HydrophobicContact CB-CD1 4.48Å; L135-L138 PolarHBondContact O-N 3.45Å
136	S	96.4	Very high	98.3	Very high	62 Å²	62	45.2 Å²	45.2	43%	0.434	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-54.1	-36.3	-175.8	56.9	0	0	0	0	114.1	D134 L138 R139	D134-S136 PolarHBondContact O-N 3.39Å; S136-L138 PolarHBondContact O-N 2.82Å; S136-R139 WeakPolarHBondContact O-CB 3.45Å; S136-R139 PolarHBondContact O-N 2.75Å
137	E	97.8	Very high	98.3	Very high	176 Å²	176	48.7 Å²	48.7	82%	0.822	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-67.9	-19.7	-180	-57.5	-52.6	123.9	0	0	113.5	L135	L135-E137 PolarHBondContact O-N 2.91Å; L135-E137 VanDerWaalsContact O-N 3.17Å
138	L	98.1	Very high	98.3	Very high	106 Å²	106	52.1 Å²	52.1	56%	0.555	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-103.5	12.9	-179.6	-57.9	178.9	0	0	0	112.1	T101 L135 S136 E140	T101-L138 VanDerWaalsContact CA-O 3.26Å; T101-L138 WeakPolarHBondContact CA-O 3.28Å; T101-L138 VanDerWaalsContact CB-O 3.29Å; T101-L138 WeakPolarHBondContact CB-O 3.3Å; T101-L138 HydrophobicContact CG2-CB 3.8Å; L135-L138 HydrophobicContact CB-CB 4.48Å; L135-L138 HydrophobicContact CB-CD1 4.48Å; L135-L138 PolarHBondContact O-N 3.45Å; S136-L138 PolarHBondContact O-N 2.82Å; L138-E140 PolarHBondContact O-N 2.94Å
139	R	98.5	Very high	98.3	Very high	90 Å²	90	53.4 Å²	53.4	34%	0.34	29%	0.287	S	S	.	.			trans	-62.8	127.7	-174.7	178	-178.7	-68.7	-84.1	6.9	112	I100 S136 V141 E160	I100-R139 HydrophobicContact CD1-CB 4.46Å; S136-R139 WeakPolarHBondContact O-CB 3.45Å; S136-R139 PolarHBondContact O-N 2.75Å; R139-V141 WeakPolarHBondContact CD-O 3.35Å; R139-V141 WeakPolarHBondContact CG-O 3.32Å; R139-V141 PolarHBondContact NH1-O 3.18Å; R139-E160 IonicContact CZ-OE1 3.26Å; R139-E160 IonicContact CZ-OE2 3.91Å; R139-E160 IonicContact NH1-OE1 3.31Å; R139-E160 PolarHBondContact NH1-OE1 2.87Å; R139-E160 IonicContact NH1-OE2 2.79Å; R139-E160 IonicContact NH2-OE1 2.98Å; R139-E160 PolarHBondContact NH2-OE1 3.36Å; R139-E160 IonicContact NH2-OE2 3.04Å; R139-E160 PolarHBondContact NH2-OE2 3.37Å
140	E	98.6	Very high	98.3	Very high	105 Å²	105	53.5 Å²	53.5	49%	0.491	29%	0.288	S	S	.	.			trans	-114.9	-9.9	173.2	-58.1	-173.5	174.6	0	0	113.3	I100 R103 L138	I100-E140 PolarHBondContact O-N 2.98Å; R103-E140 HydrophobicContact CB-CB 4Å; R103-E140 VanDerWaalsContact CB-OE2 3.28Å; R103-E140 WeakPolarHBondContact CB-OE2 3.3Å; R103-E140 PolarHBondContact N-OE2 3.25Å; R103-E140 PolarHBondContact NH1-O 3.35Å; L138-E140 PolarHBondContact O-N 2.94Å
141	V	98.6	Very high	98.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-131.7	127.4	-177.3	-177.8	0	0	0	0	109.1	Y98 I100 R103 F106 R139 E145	Y98-V141 HydrophobicContact CD2-CG1 4.4Å; Y98-V141 HydrophobicContact CE2-CB 3.9Å; Y98-V141 HydrophobicContact CE2-CG1 3.58Å; Y98-V141 HydrophobicContact CE2-CG2 4.34Å; I100-V141 PolarHBondContact O-N 2.95Å; R103-V141 HydrophobicContact CB-CG2 4.35Å; R103-V141 HydrophobicContact CG-CG2 4.4Å; F106-V141 HydrophobicContact CB-CG1 4.22Å; F106-V141 HydrophobicContact CB-CG2 3.72Å; F106-V141 HydrophobicContact CD1-CG1 4.06Å; F106-V141 HydrophobicContact CD1-CG2 4.48Å; F106-V141 HydrophobicContact CD2-CG1 3.8Å; F106-V141 HydrophobicContact CE1-CG1 4.4Å; F106-V141 HydrophobicContact CE2-CG1 4.14Å; F106-V141 HydrophobicContact CG-CG1 3.75Å; F106-V141 HydrophobicContact CG-CG2 4.11Å; F106-V141 HydrophobicContact CZ-CG1 4.42Å; R139-V141 WeakPolarHBondContact CD-O 3.35Å; R139-V141 WeakPolarHBondContact CG-O 3.32Å; R139-V141 PolarHBondContact NH1-O 3.18Å; V141-E145 HydrophobicContact CG1-CG 4Å
142	S	98.6	Very high	98.2	Very high	53 Å²	53	67 Å²	67	37%	0.371	35%	0.35	S	S	.	.			trans	-85.7	151.9	178.1	72.4	0	0	0	0	111.8	A144 E145 A146	S142-A144 VanDerWaalsContact C-N 3.27Å; S142-A144 PolarHBondContact O-N 2.99Å; S142-E145 PolarHBondContact N-OE2 3.47Å; S142-E145 WeakPolarHBondContact O-CB 3.44Å; S142-E145 PolarHBondContact O-N 3.45Å; S142-E145 VanDerWaalsContact OG-CB 3.31Å; S142-E145 WeakPolarHBondContact OG-CB 3.19Å; S142-E145 PolarHBondContact OG-N 3.43Å; S142-A146 PolarHBondContact O-N 2.81Å
143	L	98.3	Very high	98.1	Very high	62 Å²	62	66.5 Å²	66.5	33%	0.325	35%	0.347	S	S	.	.	H	α-helix	trans	-60	-38.8	174.1	178.7	54.8	0	0	0	111.7	E145 A146 Q147 E160	L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 PolarHBondContact O-N 3Å; L143-A146 PolarHBondContact O-N 2.82Å; L143-A146 VanDerWaalsContact O-N 3.14Å; L143-Q147 HydrophobicContact CD1-CG 4.04Å; L143-Q147 HydrophobicContact CG-CG 4.25Å; L143-Q147 WeakPolarHBondContact O-CG 3.29Å; L143-Q147 PolarHBondContact O-N 3.29Å; L143-E160 HydrophobicContact CD1-CG 4.19Å
144	A	98.6	Very high	98	Very high	58 Å²	58	72.1 Å²	72.1	48%	0.479	38%	0.375	S	S	.	.	H	α-helix	trans	-62	-39.1	179.3	0	0	0	0	0	112.5	S142 Q147 S148	S142-A144 VanDerWaalsContact C-N 3.27Å; S142-A144 PolarHBondContact O-N 2.99Å; A144-Q147 PolarHBondContact O-N 2.88Å; A144-S148 WeakPolarHBondContact O-CB 3.17Å; A144-S148 PolarHBondContact O-N 3.25Å; A144-S148 PolarHBondContact O-OG 3.39Å
145	E	98.3	Very high	98	Very high	43 Å²	43	70.6 Å²	70.6	20%	0.201	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-45	172.7	150.8	176.9	-159.2	0	0	111.4	R103 F106 V141 S142 L143 S148 L149	R103-E145 IonicContact CZ-OE1 2.73Å; R103-E145 VanDerWaalsContact CZ-OE1 3.26Å; R103-E145 IonicContact CZ-OE2 2.72Å; R103-E145 IonicContact NH1-OE1 3.26Å; R103-E145 PolarHBondContact NH1-OE1 2.8Å; R103-E145 IonicContact NH1-OE2 3.87Å; R103-E145 PolarHBondContact NH1-OE2 2.82Å; R103-E145 IonicContact NH2-OE1 2.67Å; R103-E145 PolarHBondContact NH2-OE1 3.47Å; R103-E145 IonicContact NH2-OE2 2.98Å; F106-E145 HydrophobicContact CD1-CG 4.15Å; F106-E145 WeakPolarHBondContact CD1-OE1 3.32Å; F106-E145 HydrophobicContact CE1-CG 3.3Å; F106-E145 WeakPolarHBondContact CE1-OE1 3.36Å; F106-E145 HydrophobicContact CE2-CG 4.36Å; F106-E145 HydrophobicContact CZ-CG 3.42Å; F106-E145 VanDerWaalsContact CZ-CG 3.42Å; V141-E145 HydrophobicContact CG1-CG 4Å; S142-E145 PolarHBondContact N-OE2 3.47Å; S142-E145 WeakPolarHBondContact O-CB 3.44Å; S142-E145 PolarHBondContact O-N 3.45Å; S142-E145 VanDerWaalsContact OG-CB 3.31Å; S142-E145 WeakPolarHBondContact OG-CB 3.19Å; S142-E145 PolarHBondContact OG-N 3.43Å; L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 PolarHBondContact O-N 3Å; E145-S148 PolarHBondContact O-N 2.97Å; E145-L149 PolarHBondContact O-N 3.14Å
146	A	98.6	Very high	98	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-68.7	-37.1	178.4	0	0	0	0	0	112.8	Y98 F106 L128 S142 L143 L149 A150 A158	Y98-A146 HydrophobicContact CE1-CB 4.09Å; Y98-A146 WeakPolarHBondContact OH-CB 3.44Å; F106-A146 HydrophobicContact CE2-CB 3.84Å; F106-A146 HydrophobicContact CZ-CB 4.41Å; L128-A146 HydrophobicContact CD2-CB 4.11Å; S142-A146 PolarHBondContact O-N 2.81Å; L143-A146 PolarHBondContact O-N 2.82Å; L143-A146 VanDerWaalsContact O-N 3.14Å; A146-L149 PolarHBondContact O-N 3.32Å; A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 2.8Å; A146-A158 HydrophobicContact CB-CB 3.99Å; A146-A158 WeakPolarHBondContact O-CB 3.45Å
147	Q	98.6	Very high	98.1	Very high	81 Å²	81	69.3 Å²	69.3	38%	0.379	36%	0.357	S	S	.	.	H	α-helix	trans	-63.9	-45.7	173.7	-73.2	171.2	-30.1	0	0	111.3	L143 A144 L149 A150 E151 A158	L143-Q147 HydrophobicContact CD1-CG 4.04Å; L143-Q147 HydrophobicContact CG-CG 4.25Å; L143-Q147 WeakPolarHBondContact O-CG 3.29Å; L143-Q147 PolarHBondContact O-N 3.29Å; A144-Q147 PolarHBondContact O-N 2.88Å; Q147-L149 VanDerWaalsContact C-N 3.28Å; Q147-L149 PolarHBondContact O-N 3.08Å; Q147-A150 PolarHBondContact O-N 2.78Å; Q147-A150 VanDerWaalsContact O-N 3.13Å; Q147-E151 WeakPolarHBondContact O-CG 2.91Å; Q147-E151 PolarHBondContact O-N 2.84Å; Q147-A158 HydrophobicContact CG-CB 4.12Å
148	S	98.6	Very high	98.1	Very high	71 Å²	71	61.2 Å²	61.2	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-39.3	175.9	-56.7	0	0	0	0	111.7	A144 E145 H152	A144-S148 WeakPolarHBondContact O-CB 3.17Å; A144-S148 PolarHBondContact O-N 3.25Å; A144-S148 PolarHBondContact O-OG 3.39Å; E145-S148 PolarHBondContact O-N 2.97Å; S148-H152 WeakPolarHBondContact O-CB 3.26Å; S148-H152 PolarHBondContact O-N 3.06Å
149	L	98.5	Very high	98.1	Very high	28 Å²	28	56.8 Å²	56.8	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-44.4	174.6	-169.6	78.2	0	0	0	111.6	F106 V109 P110 L128 E145 A146 Q147 E151 H152 Y153	F106-L149 HydrophobicContact CE1-CD2 4.36Å; F106-L149 HydrophobicContact CE2-CB 4.44Å; F106-L149 HydrophobicContact CE2-CD2 3.67Å; F106-L149 HydrophobicContact CZ-CB 3.9Å; F106-L149 HydrophobicContact CZ-CD2 3.59Å; F106-L149 HydrophobicContact CZ-CG 4.24Å; V109-L149 HydrophobicContact CB-CD2 4.02Å; V109-L149 HydrophobicContact CG1-CD2 3.66Å; P110-L149 HydrophobicContact CG-CD1 4.39Å; L128-L149 HydrophobicContact CD2-CD2 4.19Å; E145-L149 PolarHBondContact O-N 3.14Å; A146-L149 PolarHBondContact O-N 3.32Å; Q147-L149 VanDerWaalsContact C-N 3.28Å; Q147-L149 PolarHBondContact O-N 3.08Å; L149-E151 VanDerWaalsContact C-N 3.35Å; L149-E151 PolarHBondContact O-N 3.48Å; L149-H152 PolarHBondContact O-N 2.9Å; L149-Y153 HydrophobicContact CD1-CD2 3.88Å; L149-Y153 HydrophobicContact CD1-CE2 3.61Å; L149-Y153 HydrophobicContact CG-CD2 4Å; L149-Y153 HydrophobicContact CG-CE2 4.21Å; L149-Y153 WeakPolarHBondContact O-CD2 3.35Å; L149-Y153 PolarHBondContact O-N 2.97Å; L149-Y153 VanDerWaalsContact O-N 3.08Å
150	A	98.1	Very high	98.1	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.017	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-44	178.5	0	0	0	0	0	111.6	A146 Q147 Y153 D154 I155 A158	A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 2.8Å; Q147-A150 PolarHBondContact O-N 2.78Å; Q147-A150 VanDerWaalsContact O-N 3.13Å; A150-Y153 CarbonylContact O-C 3.52Å; A150-Y153 PolarHBondContact O-N 2.88Å; A150-D154 PolarHBondContact O-N 3.29Å; A150-D154 VanDerWaalsContact O-N 3.09Å; A150-I155 HydrophobicContact CB-CB 3.95Å; A150-I155 HydrophobicContact CB-CG2 4.2Å; A150-I155 PolarHBondContact O-N 2.84Å; A150-A158 HydrophobicContact CB-CB 4Å
151	E	98.1	Very high	98.1	Very high	148 Å²	148	48.8 Å²	48.8	69%	0.692	26%	0.263	S	S	*	.	H	α-helix	trans	-61.5	-47	174.2	-71.8	173.3	-167.5	0	0	111.7	Q147 L149 Y153 D154	Q147-E151 WeakPolarHBondContact O-CG 2.91Å; Q147-E151 PolarHBondContact O-N 2.84Å; L149-E151 VanDerWaalsContact C-N 3.35Å; L149-E151 PolarHBondContact O-N 3.48Å; E151-Y153 PolarHBondContact O-N 3.19Å; E151-D154 PolarHBondContact O-N 3.43Å; E151-D154 VanDerWaalsContact O-N 3.11Å
152	H	97.8	Very high	98.1	Very high	139 Å²	139	48.8 Å²	48.8	64%	0.644	26%	0.264	S	S	*	.	H	α-helix	trans	-58.7	-33.7	179.5	-178.9	69.5	0	0	0	113.2	S148 L149	S148-H152 WeakPolarHBondContact O-CB 3.26Å; S148-H152 PolarHBondContact O-N 3.06Å; L149-H152 PolarHBondContact O-N 2.9Å
153	Y	96.8	Very high	98	Very high	43 Å²	43	46.4 Å²	46.4	17%	0.169	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	14.7	179.3	-75.5	-80.8	0	0	0	113.3	P110 I113 R117 L149 A150 E151 I155	P110-Y153 HydrophobicContact CB-CE2 4.45Å; P110-Y153 HydrophobicContact CG-CE2 4.28Å; I113-Y153 HydrophobicContact CD1-CD1 4.12Å; I113-Y153 HydrophobicContact CD1-CD2 3.76Å; I113-Y153 HydrophobicContact CD1-CE2 4.25Å; I113-Y153 HydrophobicContact CD1-CG 3.7Å; I113-Y153 HydrophobicContact CG2-CD1 3.92Å; I113-Y153 HydrophobicContact CG2-CG 4.37Å; R117-Y153 PolarHBondContact NH2-O 3.5Å; L149-Y153 HydrophobicContact CD1-CD2 3.88Å; L149-Y153 HydrophobicContact CD1-CE2 3.61Å; L149-Y153 HydrophobicContact CG-CD2 4Å; L149-Y153 HydrophobicContact CG-CE2 4.21Å; L149-Y153 WeakPolarHBondContact O-CD2 3.35Å; L149-Y153 PolarHBondContact O-N 2.97Å; L149-Y153 VanDerWaalsContact O-N 3.08Å; A150-Y153 CarbonylContact O-C 3.52Å; A150-Y153 PolarHBondContact O-N 2.88Å; E151-Y153 PolarHBondContact O-N 3.19Å; Y153-I155 PolarHBondContact O-N 2.62Å; Y153-I155 VanDerWaalsContact O-N 3.16Å
154	D	96.3	Very high	97.9	Very high	144 Å²	144	47.5 Å²	47.5	77%	0.77	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	38.3	-179.2	-55.8	-61	0	0	0	113.7	A150 E151	A150-D154 PolarHBondContact O-N 3.29Å; A150-D154 VanDerWaalsContact O-N 3.09Å; E151-D154 PolarHBondContact O-N 3.43Å; E151-D154 VanDerWaalsContact O-N 3.11Å
155	I	97.3	Very high	97.8	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.056	25%	0.254	C	S	.	.			trans	-85.9	143.5	174.7	-64.2	178.3	0	0	0	108.3	L96 I113 Q126 L128 A150 Y153 C157	L96-I155 HydrophobicContact CD1-CD1 4.34Å; I113-I155 HydrophobicContact CD1-CD1 3.49Å; I113-I155 VanDerWaalsContact CD1-CD1 3.49Å; I113-I155 HydrophobicContact CG1-CD1 3.89Å; Q126-I155 HydrophobicContact CB-CB 4.49Å; Q126-I155 HydrophobicContact CB-CG1 4.14Å; Q126-I155 HydrophobicContact CB-CG2 4.07Å; Q126-I155 WeakPolarHBondContact O-CG2 3.43Å; L128-I155 HydrophobicContact CB-CG2 4.28Å; A150-I155 HydrophobicContact CB-CB 3.95Å; A150-I155 HydrophobicContact CB-CG2 4.2Å; A150-I155 PolarHBondContact O-N 2.84Å; Y153-I155 PolarHBondContact O-N 2.62Å; Y153-I155 VanDerWaalsContact O-N 3.16Å; I155-C157 VanDerWaalsContact C-N 3.31Å; I155-C157 PolarHBondContact O-N 2.83Å
156	L	97.3	Very high	97.7	Very high	65 Å²	65	50.8 Å²	50.8	34%	0.34	27%	0.265	S	S	.	.	S	Bend	trans	-47.7	-51.1	-173.9	177.3	61.9	0	0	0	112.9	V125 Q126 L127 R175 E179	V125-L156 HydrophobicContact CG1-CD2 4.2Å; Q126-L156 WeakPolarHBondContact O-CB 3.15Å; Q126-L156 PolarHBondContact O-N 2.55Å; L127-L156 HydrophobicContact CD1-CD2 4.49Å; L156-R175 HydrophobicContact CD2-CB 4.36Å; L156-E179 HydrophobicContact CD1-CB 4.34Å; L156-E179 HydrophobicContact CD1-CG 4.06Å; L156-E179 HydrophobicContact CD2-CB 3.88Å; L156-E179 HydrophobicContact CD2-CG 4.2Å
157	C	98.1	Very high	97.7	Very high	30 Å²	30	53.1 Å²	53.1	20%	0.203	28%	0.281	C	S	.	.			trans	-170.2	170.2	168.6	58.1	0	0	0	0	110.3	L127 L128 I155 R175	L127-C157 WeakPolarHBondContact CD1-O 3.41Å; L127-C157 WeakPolarHBondContact CD1-SG 3.25Å; L128-C157 PolarHBondContact N-O 3.39Å; L128-C157 VanDerWaalsContact N-O 3.07Å; I155-C157 VanDerWaalsContact C-N 3.31Å; I155-C157 PolarHBondContact O-N 2.83Å; C157-R175 PolarHBondContact SG-NH1 3.04Å; C157-R175 VanDerWaalsContact SG-NH1 3.44Å
158	A	98.7	Very high	97.6	Very high	7 Å²	7	52.9 Å²	52.9	6%	0.058	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.1	163.2	0	0	0	0	0	110.7	L128 A146 Q147 A150	L128-A158 HydrophobicContact CB-CB 4.12Å; L128-A158 HydrophobicContact CD2-CB 4.08Å; L128-A158 HydrophobicContact CG-CB 4.3Å; L128-A158 WeakPolarHBondContact O-CA 3.5Å; A146-A158 HydrophobicContact CB-CB 3.99Å; A146-A158 WeakPolarHBondContact O-CB 3.45Å; Q147-A158 HydrophobicContact CG-CB 4.12Å; A150-A158 HydrophobicContact CB-CB 4Å
159	I	98.6	Very high	97.6	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	159.3	172.5	62.5	174.5	0	0	0	110.6	L127 L128 I129 G130 T161 A172 R175	L127-I159 HydrophobicContact CD2-CD1 4.13Å; L127-I159 HydrophobicContact CD2-CG1 4.44Å; L128-I159 PolarHBondContact O-N 3.03Å; I129-I159 CarbonylContact C-O 3.44Å; I129-I159 VanDerWaalsContact CA-O 3.3Å; I129-I159 WeakPolarHBondContact CA-O 3.47Å; I129-I159 HydrophobicContact CG2-CD1 4.31Å; I129-I159 HydrophobicContact CG2-CG1 3.9Å; G130-I159 PolarHBondContact N-O 3.22Å; I159-T161 HydrophobicContact CD1-CG2 4.38Å; I159-T161 HydrophobicContact CG1-CG2 4.44Å; I159-A172 HydrophobicContact CD1-CB 3.75Å; I159-R175 VanDerWaalsContact CG2-NH1 3.26Å
160	E	98.7	Very high	97.5	Very high	27 Å²	27	53.4 Å²	53.4	13%	0.126	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.7	171.5	-78.7	178	-174.5	0	0	111.2	I100 G130 R139 L143 N168	I100-E160 HydrophobicContact CG2-CG 4.26Å; G130-E160 CarbonylContact O-C 3.58Å; G130-E160 VanDerWaalsContact O-CA 3.24Å; G130-E160 WeakPolarHBondContact O-CA 3.38Å; R139-E160 IonicContact CZ-OE1 3.26Å; R139-E160 IonicContact CZ-OE2 3.91Å; R139-E160 IonicContact NH1-OE1 3.31Å; R139-E160 PolarHBondContact NH1-OE1 2.87Å; R139-E160 IonicContact NH1-OE2 2.79Å; R139-E160 IonicContact NH2-OE1 2.98Å; R139-E160 PolarHBondContact NH2-OE1 3.36Å; R139-E160 IonicContact NH2-OE2 3.04Å; R139-E160 PolarHBondContact NH2-OE2 3.37Å; L143-E160 HydrophobicContact CD1-CG 4.19Å; E160-N168 WeakPolarHBondContact O-CB 3.48Å; E160-N168 PolarHBondContact O-ND2 2.94Å
161	T	98.6	Very high	97.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.			trans	-124.5	156.6	179.2	65.8	0	0	0	0	110.8	I129 G130 N131 K132 S133 I159 S167 N168 A172	I129-T161 HydrophobicContact CB-CG2 4.08Å; I129-T161 HydrophobicContact CG2-CG2 4.09Å; G130-T161 PolarHBondContact O-N 3.28Å; N131-T161 CarbonylContact C-O 3.46Å; N131-T161 WeakPolarHBondContact CA-O 3.26Å; N131-T161 PolarHBondContact OD1-O 2.91Å; N131-T161 PolarHBondContact OD1-OG1 3.29Å; N131-T161 VanDerWaalsContact OD1-OG1 3.06Å; K132-T161 PolarHBondContact N-O 3.31Å; K132-T161 VanDerWaalsContact N-O 3.07Å; S133-T161 PolarHBondContact N-O 3.42Å; S133-T161 VanDerWaalsContact N-O 3.08Å; S133-T161 PolarHBondContact OG-O 3.41Å; I159-T161 HydrophobicContact CD1-CG2 4.38Å; I159-T161 HydrophobicContact CG1-CG2 4.44Å; T161-S167 CarbonylContact C-O 3.56Å; T161-S167 VanDerWaalsContact CA-O 3.29Å; T161-S167 WeakPolarHBondContact CA-O 3.36Å; T161-N168 HydrophobicContact CG2-CB 4.17Å; T161-A172 HydrophobicContact CG2-CB 4.45Å
162	S	98.3	Very high	97.5	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-130	112.1	161.4	174.3	0	0	0	0	108.8	S133 D134 K164 D165 S166 S167	S133-S162 PolarHBondContact OG-N 3.41Å; D134-S162 VanDerWaalsContact CG-OG 3.3Å; D134-S162 VanDerWaalsContact OD1-CB 3.32Å; D134-S162 WeakPolarHBondContact OD1-CB 3.47Å; D134-S162 PolarHBondContact OD1-OG 2.99Å; S162-K164 PolarHBondContact O-N 2.72Å; S162-K164 PolarHBondContact OG-N 3.03Å; S162-K164 VanDerWaalsContact OG-N 3.14Å; S162-D165 PolarHBondContact OG-N 2.75Å; S162-S166 CarbonylContact O-C 3.56Å; S162-S166 WeakPolarHBondContact O-CA 3.21Å; S162-S166 PolarHBondContact O-N 3.49Å; S162-S167 PolarHBondContact N-O 2.85Å; S162-S167 PolarHBondContact O-N 2.77Å; S162-S167 VanDerWaalsContact O-N 3.1Å
163	A	96.9	Very high	97.5	Very high	2 Å²	2	43 Å²	43	2%	0.017	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.4	168.1	0	0	0	0	0	112.1	C33 V34 R37 F43 N131	C33-A163 HydrophobicContact CB-CB 3.61Å; V34-A163 HydrophobicContact CG2-CB 4.03Å; R37-A163 VanDerWaalsContact CZ-O 3.23Å; R37-A163 PolarHBondContact NE-O 3.21Å; R37-A163 PolarHBondContact NH2-O 2.98Å; F43-A163 HydrophobicContact CD2-CB 4.16Å; F43-A163 WeakPolarHBondContact CD2-O 3.46Å; F43-A163 HydrophobicContact CE2-CB 4.26Å; N131-A163 PolarHBondContact OD1-N 3.07Å
164	K	96	Very high	97.6	Very high	86 Å²	86	43.1 Å²	43.1	37%	0.374	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-42.3	-179	-173.9	179.3	179.2	176.2	0	112.5	R37 F43 E45 D134 S162	R37-K164 VanDerWaalsContact NH2-C 3.34Å; R37-K164 PolarHBondContact NH2-O 2.94Å; F43-K164 HydrophobicContact CD1-CG 4.27Å; F43-K164 HydrophobicContact CE1-CB 4.02Å; F43-K164 HydrophobicContact CE1-CD 4.41Å; F43-K164 HydrophobicContact CE1-CG 3.73Å; F43-K164 HydrophobicContact CE2-CB 4.16Å; F43-K164 HydrophobicContact CZ-CB 3.83Å; F43-K164 HydrophobicContact CZ-CG 4.01Å; E45-K164 IonicContact OE1-NZ 3.37Å; D134-K164 WeakPolarHBondContact OD2-CD 3.48Å; S162-K164 PolarHBondContact O-N 2.72Å; S162-K164 PolarHBondContact OG-N 3.03Å; S162-K164 VanDerWaalsContact OG-N 3.14Å
165	D	95.6	Very high	97.7	Very high	107 Å²	107	40.8 Å²	40.8	57%	0.572	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	5.3	-177.3	-62.2	-12.8	0	0	0	112.4	D134 S162 S167	D134-D165 WeakPolarHBondContact CB-OD2 3.45Å; S162-D165 PolarHBondContact OG-N 2.75Å; D165-S167 PolarHBondContact O-N 3.25Å
166	S	96	Very high	97.7	Very high	63 Å²	63	40.2 Å²	40.2	44%	0.441	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	19.7	-177.6	-159.9	0	0	0	0	114.6	S162 N168	S162-S166 CarbonylContact O-C 3.56Å; S162-S166 WeakPolarHBondContact O-CA 3.21Å; S162-S166 PolarHBondContact O-N 3.49Å; S166-N168 PolarHBondContact O-N 2.82Å
167	S	98.1	Very high	97.7	Very high	48 Å²	48	37.1 Å²	37.1	34%	0.336	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-70.8	126.6	178.8	-177.2	0	0	0	0	111.3	T161 S162 D165 V169	T161-S167 CarbonylContact C-O 3.56Å; T161-S167 VanDerWaalsContact CA-O 3.29Å; T161-S167 WeakPolarHBondContact CA-O 3.36Å; S162-S167 PolarHBondContact N-O 2.85Å; S162-S167 PolarHBondContact O-N 2.77Å; S162-S167 VanDerWaalsContact O-N 3.1Å; D165-S167 PolarHBondContact O-N 3.25Å; S167-V169 PolarHBondContact O-N 2.81Å
168	N	98.1	Very high	97.6	Very high	76 Å²	76	37.7 Å²	37.7	41%	0.406	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	11.9	176.1	-61.5	-31.4	0	0	0	116.5	E160 T161 S166 E171 A172	E160-N168 WeakPolarHBondContact O-CB 3.48Å; E160-N168 PolarHBondContact O-ND2 2.94Å; T161-N168 HydrophobicContact CG2-CB 4.17Å; S166-N168 PolarHBondContact O-N 2.82Å; N168-E171 HydrophobicContact CB-CB 4.36Å; N168-A172 PolarHBondContact O-N 2.81Å
169	V	98.1	Very high	97.5	Very high	2 Å²	2	39 Å²	39	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-64.6	-51	179.5	170.3	0	0	0	0	110.2	V34 R37 F38 S167 A172 F173	V34-V169 HydrophobicContact CG1-CG1 4.24Å; R37-V169 HydrophobicContact CB-CG1 4.17Å; R37-V169 HydrophobicContact CG-CB 4.34Å; R37-V169 HydrophobicContact CG-CG1 4.09Å; R37-V169 HydrophobicContact CG-CG2 4.13Å; F38-V169 HydrophobicContact CB-CG1 3.76Å; S167-V169 PolarHBondContact O-N 2.81Å; V169-A172 WeakPolarHBondContact O-CB 3.46Å; V169-A172 PolarHBondContact O-N 2.76Å; V169-F173 HydrophobicContact CG1-CE2 4.46Å; V169-F173 VanDerWaalsContact O-CD2 3.23Å; V169-F173 WeakPolarHBondContact O-CD2 3.29Å
170	E	96.8	Very high	97.4	Very high	109 Å²	109	38.6 Å²	38.6	51%	0.509	20%	0.198	S	C	.	.	H	α-helix	trans	-66.4	-41.3	178.4	-176.9	164.3	-155.2	0	0	112	F38 A172 F173 L174	F38-E170 HydrophobicContact CE2-CG 4.41Å; E170-A172 VanDerWaalsContact C-N 3.26Å; E170-A172 PolarHBondContact O-N 3.1Å; E170-F173 PolarHBondContact O-N 2.83Å; E170-F173 VanDerWaalsContact O-N 3.14Å; E170-L174 HydrophobicContact CG-CD1 3.81Å; E170-L174 HydrophobicContact CG-CG 4.2Å; E170-L174 WeakPolarHBondContact O-CG 3.47Å; E170-L174 PolarHBondContact O-N 3.02Å
171	E	97.8	Very high	97.2	Very high	70 Å²	70	38.3 Å²	38.3	33%	0.327	20%	0.197	S	C	.	.	H	α-helix	trans	-55.1	-39.8	176.2	-179.1	64	-172.2	0	0	112.3	N168 F173 L174 R175	N168-E171 HydrophobicContact CB-CB 4.36Å; E171-F173 PolarHBondContact O-N 2.76Å; E171-L174 PolarHBondContact O-N 3.04Å; E171-R175 HydrophobicContact CG-CG 4.47Å; E171-R175 WeakPolarHBondContact O-CG 3.28Å; E171-R175 PolarHBondContact O-N 2.87Å; E171-R175 IonicContact OE1-CZ 3.65Å; E171-R175 VanDerWaalsContact OE1-CZ 3.31Å; E171-R175 IonicContact OE1-NE 3.68Å; E171-R175 PolarHBondContact OE1-NE 2.91Å; E171-R175 IonicContact OE1-NH2 2.74Å; E171-R175 PolarHBondContact OE1-NH2 3.5Å
172	A	98.4	Very high	96.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-49.6	176.8	0	0	0	0	0	112.3	L127 I129 I159 T161 N168 V169 E170 V176	L127-A172 HydrophobicContact CD2-CB 3.76Å; L127-A172 WeakPolarHBondContact CD2-O 3.46Å; I129-A172 HydrophobicContact CG2-CB 4.11Å; I159-A172 HydrophobicContact CD1-CB 3.75Å; T161-A172 HydrophobicContact CG2-CB 4.45Å; N168-A172 PolarHBondContact O-N 2.81Å; V169-A172 WeakPolarHBondContact O-CB 3.46Å; V169-A172 PolarHBondContact O-N 2.76Å; E170-A172 VanDerWaalsContact C-N 3.26Å; E170-A172 PolarHBondContact O-N 3.1Å; A172-V176 PolarHBondContact O-N 2.85Å
173	F	98.1	Very high	96.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-71.7	-36.7	-179.8	-67.5	-84.1	0	0	0	111.8	L21 L23 V34 V35 F38 L69 I71 I95 V169 E170 E171 V176 A177	L21-F173 HydrophobicContact CD1-CD1 3.94Å; L21-F173 HydrophobicContact CD1-CE1 4.49Å; L23-F173 HydrophobicContact CD1-CE1 4.07Å; L23-F173 HydrophobicContact CD1-CZ 4.09Å; V34-F173 HydrophobicContact CG1-CE2 3.94Å; V34-F173 HydrophobicContact CG1-CZ 4.26Å; V35-F173 HydrophobicContact CG2-CZ 4.36Å; F38-F173 HydrophobicContact CB-CD2 3.87Å; F38-F173 HydrophobicContact CB-CE2 3.55Å; F38-F173 HydrophobicContact CB-CZ 4.27Å; F38-F173 HydrophobicContact CD1-CD1 4.11Å; F38-F173 AromaticContact CD1-CD2 3.71Å; F38-F173 HydrophobicContact CD1-CD2 3.71Å; F38-F173 HydrophobicContact CD1-CE1 4.19Å; F38-F173 AromaticContact CD1-CE2 3.82Å; F38-F173 HydrophobicContact CD1-CE2 3.82Å; F38-F173 AromaticContact CD1-CG 3.88Å; F38-F173 HydrophobicContact CD1-CG 3.88Å; F38-F173 HydrophobicContact CD1-CZ 4.06Å; F38-F173 HydrophobicContact CD2-CB 4.26Å; F38-F173 AromaticContact CD2-CD2 3.49Å; F38-F173 HydrophobicContact CD2-CD2 3.49Å; F38-F173 VanDerWaalsContact CD2-CD2 3.49Å; F38-F173 HydrophobicContact CD2-CE2 4.11Å; F38-F173 HydrophobicContact CD2-CG 4.03Å; F38-F173 HydrophobicContact CE1-CB 4.14Å; F38-F173 HydrophobicContact CE1-CD1 4.01Å; F38-F173 HydrophobicContact CE1-CD2 4.08Å; F38-F173 HydrophobicContact CE1-CE1 4.47Å; F38-F173 AromaticContact CE1-CG 3.8Å; F38-F173 HydrophobicContact CE1-CG 3.8Å; F38-F173 HydrophobicContact CE2-CB 3.75Å; F38-F173 AromaticContact CE2-CD2 3.89Å; F38-F173 HydrophobicContact CE2-CD2 3.89Å; F38-F173 AromaticContact CE2-CG 3.96Å; F38-F173 HydrophobicContact CE2-CG 3.96Å; F38-F173 AromaticContact CG-CD2 3.39Å; F38-F173 HydrophobicContact CG-CD2 3.39Å; F38-F173 AromaticContact CG-CE2 3.55Å; F38-F173 HydrophobicContact CG-CE2 3.55Å; F38-F173 AromaticContact CG-CG 3.99Å; F38-F173 HydrophobicContact CG-CG 3.99Å; F38-F173 HydrophobicContact CG-CZ 4.24Å; F38-F173 HydrophobicContact CZ-CB 3.68Å; F38-F173 HydrophobicContact CZ-CD1 4.42Å; F38-F173 HydrophobicContact CZ-CD2 4.17Å; F38-F173 AromaticContact CZ-CG 3.84Å; F38-F173 HydrophobicContact CZ-CG 3.84Å; L69-F173 HydrophobicContact CD1-CB 4.22Å; L69-F173 HydrophobicContact CD1-CD1 4.4Å; I71-F173 HydrophobicContact CD1-CD1 4Å; I71-F173 HydrophobicContact CD1-CE1 3.66Å; I71-F173 HydrophobicContact CD1-CZ 4.4Å; I71-F173 HydrophobicContact CG1-CE1 4.27Å; I71-F173 HydrophobicContact CG2-CE1 4.34Å; I95-F173 HydrophobicContact CD1-CD1 3.76Å; I95-F173 HydrophobicContact CD1-CE1 3.66Å; I95-F173 HydrophobicContact CD1-CG 4.36Å; I95-F173 HydrophobicContact CD1-CZ 4.17Å; V169-F173 HydrophobicContact CG1-CE2 4.46Å; V169-F173 VanDerWaalsContact O-CD2 3.23Å; V169-F173 WeakPolarHBondContact O-CD2 3.29Å; E170-F173 PolarHBondContact O-N 2.83Å; E170-F173 VanDerWaalsContact O-N 3.14Å; E171-F173 PolarHBondContact O-N 2.76Å; F173-V176 PolarHBondContact O-N 2.78Å; F173-A177 VanDerWaalsContact O-CB 3.26Å; F173-A177 WeakPolarHBondContact O-CB 3.41Å; F173-A177 PolarHBondContact O-N 2.87Å
174	L	97.4	Very high	95.9	Very high	46 Å²	46	54.4 Å²	54.4	24%	0.241	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-43.9	176.4	-76.5	173.3	0	0	0	112.3	L60 I62 E170 E171 A177 T178	L60-L174 HydrophobicContact CD1-CD2 3.98Å; I62-L174 HydrophobicContact CD1-CD2 3.81Å; I62-L174 HydrophobicContact CG1-CD2 3.82Å; E170-L174 HydrophobicContact CG-CD1 3.81Å; E170-L174 HydrophobicContact CG-CG 4.2Å; E170-L174 WeakPolarHBondContact O-CG 3.47Å; E170-L174 PolarHBondContact O-N 3.02Å; E171-L174 PolarHBondContact O-N 3.04Å; L174-A177 PolarHBondContact O-N 3.07Å; L174-T178 VanDerWaalsContact O-CB 3.27Å; L174-T178 WeakPolarHBondContact O-CB 3.16Å; L174-T178 PolarHBondContact O-N 3.39Å; L174-T178 PolarHBondContact O-OG1 3.11Å
175	R	98.1	Very high	94.5	Very high	94 Å²	94	52 Å²	52	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-60.4	-47.7	177.6	-75.3	-173.6	-172	-161.1	2.7	112.2	L156 C157 I159 E171 T178 E179	L156-R175 HydrophobicContact CD2-CB 4.36Å; C157-R175 PolarHBondContact SG-NH1 3.04Å; C157-R175 VanDerWaalsContact SG-NH1 3.44Å; I159-R175 VanDerWaalsContact CG2-NH1 3.26Å; E171-R175 HydrophobicContact CG-CG 4.47Å; E171-R175 WeakPolarHBondContact O-CG 3.28Å; E171-R175 PolarHBondContact O-N 2.87Å; E171-R175 IonicContact OE1-CZ 3.65Å; E171-R175 VanDerWaalsContact OE1-CZ 3.31Å; E171-R175 IonicContact OE1-NE 3.68Å; E171-R175 PolarHBondContact OE1-NE 2.91Å; E171-R175 IonicContact OE1-NH2 2.74Å; E171-R175 PolarHBondContact OE1-NH2 3.5Å; R175-T178 PolarHBondContact O-N 3.08Å; R175-E179 WeakPolarHBondContact O-CB 3.35Å; R175-E179 PolarHBondContact O-N 3.33Å
176	V	97.8	Very high	92	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-46.2	178.6	176.3	0	0	0	0	110.7	L21 I95 V125 L127 A172 F173 T178 E179 L180	L21-V176 HydrophobicContact CD1-CG1 4.28Å; L21-V176 HydrophobicContact CD2-CG1 3.58Å; I95-V176 HydrophobicContact CD1-CG2 4.36Å; I95-V176 HydrophobicContact CG1-CG2 4.09Å; V125-V176 HydrophobicContact CG1-CG1 4.09Å; L127-V176 HydrophobicContact CB-CG2 3.53Å; L127-V176 HydrophobicContact CD2-CG2 3.94Å; L127-V176 HydrophobicContact CG-CG2 4.25Å; A172-V176 PolarHBondContact O-N 2.85Å; F173-V176 PolarHBondContact O-N 2.78Å; V176-T178 VanDerWaalsContact C-N 3.35Å; V176-T178 PolarHBondContact O-N 3.22Å; V176-E179 PolarHBondContact O-N 3.05Å; V176-L180 HydrophobicContact CG1-CD1 3.89Å; V176-L180 HydrophobicContact CG1-CG 4.43Å; V176-L180 WeakPolarHBondContact O-CB 3.26Å; V176-L180 VanDerWaalsContact O-CG 3.23Å; V176-L180 WeakPolarHBondContact O-CG 3.26Å; V176-L180 PolarHBondContact O-N 3.34Å
177	A	97	Very high	89.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-40.6	179.2	0	0	0	0	0	112.2	I62 V67 L69 F173 L174 L180 I181	I62-A177 HydrophobicContact CD1-CB 3.46Å; I62-A177 VanDerWaalsContact CD1-CB 3.46Å; V67-A177 HydrophobicContact CG1-CB 4.4Å; L69-A177 HydrophobicContact CD2-CB 4.24Å; F173-A177 VanDerWaalsContact O-CB 3.26Å; F173-A177 WeakPolarHBondContact O-CB 3.41Å; F173-A177 PolarHBondContact O-N 2.87Å; L174-A177 PolarHBondContact O-N 3.07Å; A177-L180 PolarHBondContact O-N 2.87Å; A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 3.47Å; A177-I181 PolarHBondContact O-N 3.16Å
178	T	96.8	Very high	86.8	Confident	41 Å²	41	57.1 Å²	57.1	25%	0.252	30%	0.303	S	S	.	.	H	α-helix	trans	-64.7	-46.6	177.9	-57.6	0	0	0	0	111.2	L174 R175 V176 L180 I181 M182	L174-T178 VanDerWaalsContact O-CB 3.27Å; L174-T178 WeakPolarHBondContact O-CB 3.16Å; L174-T178 PolarHBondContact O-N 3.39Å; L174-T178 PolarHBondContact O-OG1 3.11Å; R175-T178 PolarHBondContact O-N 3.08Å; V176-T178 VanDerWaalsContact C-N 3.35Å; V176-T178 PolarHBondContact O-N 3.22Å; T178-L180 VanDerWaalsContact C-N 3.28Å; T178-L180 PolarHBondContact O-N 2.87Å; T178-I181 PolarHBondContact O-N 3.49Å; T178-M182 WeakPolarHBondContact O-CG 3.34Å; T178-M182 PolarHBondContact O-N 3.06Å
179	E	96.6	Very high	84.4	Confident	36 Å²	36	62.2 Å²	62.2	17%	0.168	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-40.7	174.6	178	62.2	-164.3	0	0	111.4	V125 L156 R175 V176 M182 R183	V125-E179 HydrophobicContact CB-CG 4.39Å; V125-E179 HydrophobicContact CG1-CB 4.07Å; V125-E179 HydrophobicContact CG1-CG 3.71Å; V125-E179 HydrophobicContact CG2-CG 3.68Å; L156-E179 HydrophobicContact CD1-CB 4.34Å; L156-E179 HydrophobicContact CD1-CG 4.06Å; L156-E179 HydrophobicContact CD2-CB 3.88Å; L156-E179 HydrophobicContact CD2-CG 4.2Å; R175-E179 WeakPolarHBondContact O-CB 3.35Å; R175-E179 PolarHBondContact O-N 3.33Å; V176-E179 PolarHBondContact O-N 3.05Å; E179-M182 PolarHBondContact O-N 3.14Å; E179-M182 WeakPolarHBondContact OE2-CE 3.19Å; E179-R183 WeakPolarHBondContact O-CG 3.27Å; E179-R183 PolarHBondContact O-N 3.43Å; E179-R183 IonicContact OE1-CZ 3.24Å; E179-R183 VanDerWaalsContact OE1-CZ 3.26Å; E179-R183 IonicContact OE1-NE 3.25Å; E179-R183 PolarHBondContact OE1-NE 3.02Å; E179-R183 IonicContact OE1-NH2 2.72Å; E179-R183 PolarHBondContact OE1-NH2 3.07Å
180	L	95.4	Very high	81.3	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-65.6	-40.8	176.5	-73.4	172.9	0	0	0	112.8	F19 L21 N92 V125 V176 A177 T178 M182 R183 H184	F19-L180 HydrophobicContact CB-CD1 3.87Å; F19-L180 HydrophobicContact CD1-CB 4.09Å; F19-L180 HydrophobicContact CD1-CD1 4.13Å; F19-L180 HydrophobicContact CD2-CB 3.83Å; F19-L180 HydrophobicContact CD2-CD1 4.05Å; F19-L180 HydrophobicContact CE1-CB 3.89Å; F19-L180 HydrophobicContact CE2-CB 3.61Å; F19-L180 HydrophobicContact CG-CB 4.07Å; F19-L180 HydrophobicContact CG-CD1 3.76Å; F19-L180 HydrophobicContact CZ-CB 3.64Å; L21-L180 HydrophobicContact CD2-CD1 3.82Å; N92-L180 HydrophobicContact CB-CD1 3.99Å; N92-L180 HydrophobicContact CB-CD2 3.9Å; N92-L180 WeakPolarHBondContact O-CD2 3.38Å; V125-L180 HydrophobicContact CB-CD2 3.95Å; V125-L180 HydrophobicContact CB-CG 4.22Å; V125-L180 HydrophobicContact CG2-CD2 3.44Å; V125-L180 VanDerWaalsContact CG2-CD2 3.44Å; V125-L180 HydrophobicContact CG2-CG 3.94Å; V176-L180 HydrophobicContact CG1-CD1 3.89Å; V176-L180 HydrophobicContact CG1-CG 4.43Å; V176-L180 WeakPolarHBondContact O-CB 3.26Å; V176-L180 VanDerWaalsContact O-CG 3.23Å; V176-L180 WeakPolarHBondContact O-CG 3.26Å; V176-L180 PolarHBondContact O-N 3.34Å; A177-L180 PolarHBondContact O-N 2.87Å; T178-L180 VanDerWaalsContact C-N 3.28Å; T178-L180 PolarHBondContact O-N 2.87Å; L180-M182 VanDerWaalsContact C-N 3.31Å; L180-M182 PolarHBondContact O-N 3.13Å; L180-R183 PolarHBondContact O-N 3.4Å; L180-H184 WeakPolarHBondContact O-CB 3.23Å; L180-H184 PolarHBondContact O-N 2.91Å; L180-H184 PolarHBondContact O-ND1 3.08Å
181	I	94.8	Very high	78.4	Confident	22 Å²	22	69.7 Å²	69.7	11%	0.113	37%	0.367	C	S	.	.	H	α-helix	trans	-57.3	-47.8	172.1	-69	162.6	0	0	0	109.7	F17 F19 I62 V67 A177 T178 R183 H184 G185	F17-I181 HydrophobicContact CD2-CG1 4.02Å; F17-I181 HydrophobicContact CE2-CG1 4.13Å; F17-I181 HydrophobicContact CE2-CG2 4.06Å; F17-I181 HydrophobicContact CG-CG1 4.42Å; F17-I181 HydrophobicContact CZ-CG2 4.11Å; F19-I181 HydrophobicContact CE2-CG1 3.98Å; F19-I181 HydrophobicContact CZ-CG1 4.43Å; I62-I181 HydrophobicContact CB-CD1 3.98Å; I62-I181 HydrophobicContact CD1-CD1 4.23Å; I62-I181 HydrophobicContact CG2-CD1 3.93Å; V67-I181 HydrophobicContact CG2-CD1 3.64Å; V67-I181 HydrophobicContact CG2-CG1 4.19Å; A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 3.47Å; A177-I181 PolarHBondContact O-N 3.16Å; T178-I181 PolarHBondContact O-N 3.49Å; I181-R183 VanDerWaalsContact C-N 3.33Å; I181-R183 PolarHBondContact O-N 2.79Å; I181-H184 PolarHBondContact O-N 3.35Å; I181-G185 WeakPolarHBondContact O-CA 3.2Å; I181-G185 PolarHBondContact O-N 3.02Å
182	M	93.4	Very high	75.4	Confident	105 Å²	105	76 Å²	76	52%	0.517	39%	0.393	S	S	.	.	H	α-helix	trans	-61.1	-41.1	-179.9	-68.7	-169.5	-64.3	0	0	112.3	T178 E179 L180 G186	T178-M182 WeakPolarHBondContact O-CG 3.34Å; T178-M182 PolarHBondContact O-N 3.06Å; E179-M182 PolarHBondContact O-N 3.14Å; E179-M182 WeakPolarHBondContact OE2-CE 3.19Å; L180-M182 VanDerWaalsContact C-N 3.31Å; L180-M182 PolarHBondContact O-N 3.13Å; M182-G186 WeakPolarHBondContact O-CA 3.24Å; M182-G186 PolarHBondContact O-N 3.4Å; M182-G186 VanDerWaalsContact O-N 3.08Å
183	R	90.5	Very high	72.1	Confident	129 Å²	129	81.3 Å²	81.3	49%	0.487	43%	0.431	S	S	.	.	H	α-helix	trans	-70.2	-31.2	177.9	-69.4	-173.7	-171.2	-159.4	-0.3	114.1	N123 E179 L180 I181	N123-R183 PolarHBondContact O-NH1 2.96Å; N123-R183 VanDerWaalsContact O-NH1 3.07Å; E179-R183 WeakPolarHBondContact O-CG 3.27Å; E179-R183 PolarHBondContact O-N 3.43Å; E179-R183 IonicContact OE1-CZ 3.24Å; E179-R183 VanDerWaalsContact OE1-CZ 3.26Å; E179-R183 IonicContact OE1-NE 3.25Å; E179-R183 PolarHBondContact OE1-NE 3.02Å; E179-R183 IonicContact OE1-NH2 2.72Å; E179-R183 PolarHBondContact OE1-NH2 3.07Å; L180-R183 PolarHBondContact O-N 3.4Å; I181-R183 VanDerWaalsContact C-N 3.33Å; I181-R183 PolarHBondContact O-N 2.79Å
184	H	83.4	Confident	69.3	Low	106 Å²	106	87 Å²	87	49%	0.491	47%	0.468	S	S	.	.	H	α-helix	trans	-98.4	-9.5	-177.9	-64.6	77	0	0	0	113.3	F17 F19 L180 I181	F17-H184 HydrophobicContact CE1-CB 4.4Å; F19-H184 HydrophobicContact CE1-CB 4.39Å; F19-H184 AromaticContact CE1-CG 3.9Å; F19-H184 AromaticContact CE1-ND1 3.71Å; F19-H184 HydrophobicContact CZ-CB 4.48Å; L180-H184 WeakPolarHBondContact O-CB 3.23Å; L180-H184 PolarHBondContact O-N 2.91Å; L180-H184 PolarHBondContact O-ND1 3.08Å; I181-H184 PolarHBondContact O-N 3.35Å
185	G	67.3	Low	66.5	Low	36 Å²	36	91.8 Å²	91.8	37%	0.371	49%	0.494	S	S	.	.	H	α-helix	trans	-144.8	25.8	-172.1	0	0	0	0	0	115.2	I181	I181-G185 WeakPolarHBondContact O-CA 3.2Å; I181-G185 PolarHBondContact O-N 3.02Å
186	G	42.3	Very low	63.6	Low	48 Å²	48	95.6 Å²	95.6	50%	0.495	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	165.6	-178.4	0	0	0	0	0	115.1	M182	M182-G186 WeakPolarHBondContact O-CA 3.24Å; M182-G186 PolarHBondContact O-N 3.4Å; M182-G186 VanDerWaalsContact O-N 3.08Å
187	P	44.3	Very low	61	Low	127 Å²	127	102.6 Å²	102.6	83%	0.825	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn		-66.9	103.3	-99.6	34.3	-22	0	0	0	112.8
188	L	41.1	Very low	58.2	Low	150 Å²	150	110.4 Å²	110.4	79%	0.785	59%	0.587	S	S	*	*			trans	-106.3	67.4	155.9	-105.7	95.3	0	0	0	109.7	S190	L188-S190 PolarHBondContact O-N 2.97Å
189	F	46.2	Very low	55.3	Low	184 Å²	184	116.2 Å²	116.2	81%	0.807	62%	0.616	S	S	*	*			trans	-75.7	68.1	134.5	-71.8	-80	0	0	0	106.3	E191	F189-E191 PolarHBondContact O-N 3.42Å
190	S	34.9	Very low	52.5	Low	93 Å²	93	122 Å²	122	65%	0.65	65%	0.648	S	S	*	*			trans	-72.9	111.1	158.9	-175.5	0	0	0	0	104.7	L188	L188-S190 PolarHBondContact O-N 2.97Å
191	E	35.8	Very low	50	Low	175 Å²	175	127.6 Å²	127.6	82%	0.818	69%	0.688	S	S	*	*			trans	-41.2	149.9	167	-61.2	-173.5	126.4	0	0	111	F189 S193	F189-E191 PolarHBondContact O-N 3.42Å; E191-S193 PolarHBondContact O-N 3.46Å; E191-S193 VanDerWaalsContact O-N 3.14Å
192	K	33.7	Very low	47.6	Very low	202 Å²	202	135.2 Å²	135.2	88%	0.878	72%	0.72	S	S	*	*			trans	-33.2	119.9	170.8	-67.3	175	177	177.8	0	110.2	P194	K192-P194 VanDerWaalsContact O-CD 3.3Å; K192-P194 WeakPolarHBondContact O-CD 3.31Å; K192-P194 VanDerWaalsContact O-N 3.14Å
193	S	30.2	Very low	45.3	Very low	112 Å²	112	137.7 Å²	137.7	78%	0.783	74%	0.735	S	S	*	*			trans	-48.9	116.4	166.7	48.6	0	0	0	0	109.7	E191 D195	E191-S193 PolarHBondContact O-N 3.46Å; E191-S193 VanDerWaalsContact O-N 3.14Å; S193-D195 PolarHBondContact O-N 3.01Å
194	P	38.8	Very low	43	Very low	119 Å²	119	140 Å²	140	77%	0.773	76%	0.755	S	S	*	*			trans	-75.1	125.5	165.5	31.3	-27.5	0	0	0	107.5	K192	K192-P194 VanDerWaalsContact O-CD 3.3Å; K192-P194 WeakPolarHBondContact O-CD 3.31Å; K192-P194 VanDerWaalsContact O-N 3.14Å
195	D	37.3	Very low	40.7	Very low	147 Å²	147	138.3 Å²	138.3	79%	0.786	77%	0.767	S	S	*	*			trans	24.7	126.2	155	-60.6	-38.3	0	0	0	120.2	S193 I197	S193-D195 PolarHBondContact O-N 3.01Å; D195-I197 PolarHBondContact O-N 3.08Å
196	H	39	Very low	39.2	Very low	173 Å²	173	146.3 Å²	146.3	80%	0.801	79%	0.794	S	S	*	*			trans	-27.7	114.3	156.8	-88.7	-94.3	0	0	0	114.2
197	I	41.5	Very low	38.8	Very low	148 Å²	148	147.4 Å²	147.4	76%	0.759	81%	0.805	S	S	*	*			trans	-106.1	101.6	153.1	-59.2	173.8	0	0	0	107.1	D195 L199	D195-I197 PolarHBondContact O-N 3.08Å; I197-L199 HydrophobicContact CG2-CG 4.27Å; I197-L199 PolarHBondContact O-N 3.21Å
198	Q	39.1	Very low	38.5	Very low	163 Å²	163	154.1 Å²	154.1	76%	0.762	81%	0.814	S	S	*	*			trans	-75.4	111.5	165.2	-74.1	-178.5	2.4	0	0	108.5
199	L	36.6	Very low	38.2	Very low	163 Å²	163	150.9 Å²	150.9	85%	0.853	82%	0.817	S	S	*	*			trans	-90.3	100	166.3	-75.8	164.2	0	0	0	108.7	I197	I197-L199 HydrophobicContact CG2-CG 4.27Å; I197-L199 PolarHBondContact O-N 3.21Å
200	N	36.6	Very low	37.7	Very low	158 Å²	158	148.6 Å²	148.6	85%	0.845	82%	0.822	S	S	*	*			trans	-87.4	107.1	167.3	-126.4	11.6	0	0	0	107.9	K202	N200-K202 PolarHBondContact O-N 3.49Å
201	S	43.5	Very low	38	Very low	120 Å²	120	147.5 Å²	147.5	84%	0.839	83%	0.826	S	S	*	*			trans	-91.7	94.1	169.7	-170.6	0	0	0	0	109.2
202	K	44.9	Very low	38.3	Very low	182 Å²	182	149 Å²	149	79%	0.791	85%	0.853	S	S	*	*			trans	-142.2	106.7	154.7	-84.4	-169.8	176.5	-179.7	0	106.3	N200	N200-K202 PolarHBondContact O-N 3.49Å
203	D	45.3	Very low	38.5	Very low	157 Å²	157	146.3 Å²	146.3	84%	0.84	85%	0.852	S	S	*	*			trans	161.5	89.9	139.2	-77.4	-20.4	0	0	0	109.3
204	I	40.6	Very low	38.9	Very low	177 Å²	177	148.1 Å²	148.1	91%	0.908	86%	0.856	S	S	*	*			trans	-126	89.1	149.4	-61.4	-179.8	0	0	0	105.4
205	G	36.1	Very low	39	Very low	71 Å²	71	149.7 Å²	149.7	73%	0.732	86%	0.86	S	S	*	*			trans	-85.7	138.7	166.2	0	0	0	0	0	110.2
206	E	35.8	Very low	39.1	Very low	204 Å²	204	149.9 Å²	149.9	95%	0.953	87%	0.865	S	S	*	*			trans	-60	157.4	-175.9	-60	163.2	127.5	0	0	114.3
207	G	33.6	Very low	39.1	Very low	70 Å²	70	148.4 Å²	148.4	72%	0.722	87%	0.869	S	S	*	*			trans	167.5	65.1	160.7	0	0	0	0	0	116.4
208	W	37.9	Very low	38.9	Very low	268 Å²	268	148.5 Å²	148.5	100%	1.015	88%	0.876	S	S	*	*			trans	-108.8	101.2	160.9	-84.2	17.6	0	0	0	109.6
209	G	35.1	Very low	38.9	Very low	82 Å²	82	147.4 Å²	147.4	85%	0.845	88%	0.884	S	S	*	*			trans	-85	130.8	169	0	0	0	0	0	110.9
210	C	35.1	Very low	39.1	Very low	136 Å²	136	146.2 Å²	146.2	92%	0.919	89%	0.886	S	S	*	*			trans	-85.3	139.4	173.8	-170	0	0	0	0	110.1
211	G	40.9	Very low	39.3	Very low	70 Å²	70	145.3 Å²	145.3	72%	0.722	89%	0.89	S	S	*	*			trans	-167.4	95.2	171.4	0	0	0	0	0	112.1
212	C	42.2	Very low	38.9	Very low	206 Å²	206	147.5 Å²	147.5	100%	1.392	89%	0.894	S	S	*	*			trans	-162.7	0	140.1	-85	0	0	0	0	107.3

Retrieved 212 of 212 residues in 255.6 ms (Link to these results)

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