A0A077ZE68_TRITR Loading...

Glycoside hydrolase family 13 protein

AlphaFold DB , UniProt , Accession A0A077ZE68, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 580 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	71.6	Confident	78.4	Confident	139 Å²	139	122.6 Å²	122.6	69%	0.685	61%	0.605	S	S	*	*				0	122.3	0	-164.4	-177.4	-60.9	0	0	105.4	F9 H10 F11	M1-F9 HydrophobicContact CG-CB 3.88Å; M1-F9 HydrophobicContact CG-CD1 4.45Å; M1-F9 HydrophobicContact SD-CB 3.86Å; M1-F9 HydrophobicContact SD-CD1 4.4Å; M1-F9 HydrophobicContact SD-CG 4.28Å; M1-H10 CarbonylContact C-O 3.42Å; M1-H10 WeakPolarHBondContact CA-O 3.49Å; M1-H10 WeakPolarHBondContact CG-O 3.37Å; M1-F11 HydrophobicContact CB-CB 4.49Å; M1-F11 HydrophobicContact CB-CD2 4.25Å; M1-F11 HydrophobicContact CE-CB 4.47Å; M1-F11 HydrophobicContact CG-CB 4.13Å
2	E	76.6	Confident	78.9	Confident	141 Å²	141	125.6 Å²	125.6	66%	0.659	62%	0.616	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.7	143.9	-172.1	-65.4	179.8	-175.5	0	0	109.5	A4 H10	E2-A4 PolarHBondContact O-N 3.46Å; E2-H10 PolarHBondContact N-O 3.01Å; E2-H10 PolarHBondContact O-N 2.63Å
3	P	74.4	Confident	79.2	Confident	105 Å²	105	120.4 Å²	120.4	68%	0.682	60%	0.596	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-64.7	118.6	173.4	25.3	-30.3	0	0	0	109.3
4	A	77.6	Confident	79.5	Confident	36 Å²	36	122.2 Å²	122.2	30%	0.298	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.7	-34.2	174	0	0	0	0	0	111.4	E2 R8 H10	E2-A4 PolarHBondContact O-N 3.46Å; A4-R8 HydrophobicContact CB-CB 4.28Å; A4-R8 PolarHBondContact N-O 2.92Å; A4-H10 HydrophobicContact CB-CB 4.11Å
5	T	80.1	Confident	79.7	Confident	78 Å²	78	119.1 Å²	119.1	48%	0.479	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-149.8	176.7	172.7	56.5	0	0	0	0	108.7	D7 R8	T5-D7 PolarHBondContact O-N 3.25Å; T5-D7 VanDerWaalsContact O-N 3.12Å; T5-R8 PolarHBondContact N-O 2.87Å; T5-R8 PolarHBondContact O-N 2.8Å; T5-R8 VanDerWaalsContact OG1-CB 3.23Å; T5-R8 WeakPolarHBondContact OG1-CB 3.31Å; T5-R8 VanDerWaalsContact OG1-CG 3.3Å; T5-R8 WeakPolarHBondContact OG1-CG 3.46Å; T5-R8 PolarHBondContact OG1-N 3.35Å
6	E	78.6	Confident	79.9	Confident	192 Å²	192	119 Å²	119	90%	0.897	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.9	-36.8	175.9	-75.4	-175.7	159.8	0	0	112.7
7	D	79.7	Confident	80.3	Confident	150 Å²	150	116.5 Å²	116.5	80%	0.802	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	14.2	-176	-54.2	-39.8	0	0	0	114.8	T5	T5-D7 PolarHBondContact O-N 3.25Å; T5-D7 VanDerWaalsContact O-N 3.12Å
8	R	80.4	Confident	80.8	Confident	163 Å²	163	112.4 Å²	112.4	62%	0.615	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-135.8	136.8	-177.5	-61.3	-178.8	176.8	-168.9	-1.3	112.4	A4 T5	A4-R8 HydrophobicContact CB-CB 4.28Å; A4-R8 PolarHBondContact N-O 2.92Å; T5-R8 PolarHBondContact N-O 2.87Å; T5-R8 PolarHBondContact O-N 2.8Å; T5-R8 VanDerWaalsContact OG1-CB 3.23Å; T5-R8 WeakPolarHBondContact OG1-CB 3.31Å; T5-R8 VanDerWaalsContact OG1-CG 3.3Å; T5-R8 WeakPolarHBondContact OG1-CG 3.46Å; T5-R8 PolarHBondContact OG1-N 3.35Å
9	F	80.1	Confident	81.4	Confident	154 Å²	154	112.4 Å²	112.4	68%	0.675	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.3	136.2	172.8	-64.8	-87	0	0	0	110	M1	M1-F9 HydrophobicContact CG-CB 3.88Å; M1-F9 HydrophobicContact CG-CD1 4.45Å; M1-F9 HydrophobicContact SD-CB 3.86Å; M1-F9 HydrophobicContact SD-CD1 4.4Å; M1-F9 HydrophobicContact SD-CG 4.28Å
10	H	82.6	Confident	81.9	Confident	89 Å²	89	107.6 Å²	107.6	41%	0.412	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132	173.1	177	70.7	0	0	0	109.9	M1 E2 A4	M1-H10 CarbonylContact C-O 3.42Å; M1-H10 WeakPolarHBondContact CA-O 3.49Å; M1-H10 WeakPolarHBondContact CG-O 3.37Å; E2-H10 PolarHBondContact N-O 3.01Å; E2-H10 PolarHBondContact O-N 2.63Å; A4-H10 HydrophobicContact CB-CB 4.11Å
11	F	80.5	Confident	82.5	Confident	102 Å²	102	104.1 Å²	104.1	45%	0.447	53%	0.527	S	S	.	.			trans	-127.2	128.8	172.3	177.8	-103	0	0	0	108.9	M1 T13	M1-F11 HydrophobicContact CB-CB 4.49Å; M1-F11 HydrophobicContact CB-CD2 4.25Å; M1-F11 HydrophobicContact CE-CB 4.47Å; M1-F11 HydrophobicContact CG-CB 4.13Å; F11-T13 HydrophobicContact CE1-CG2 3.66Å; F11-T13 HydrophobicContact CZ-CG2 4.15Å
12	Q	84.7	Confident	83.5	Confident	158 Å²	158	99.9 Å²	99.9	74%	0.738	50%	0.504	S	S	*	.			trans	-124.7	136	171.2	-177.2	175.9	-25	0	0	108.1
13	T	83	Confident	84.3	Confident	58 Å²	58	97.4 Å²	97.4	36%	0.356	49%	0.491	S	S	.	.			trans	-136.5	155.1	171.6	-170.9	0	0	0	0	109.6	F11 M15	F11-T13 HydrophobicContact CE1-CG2 3.66Å; F11-T13 HydrophobicContact CZ-CG2 4.15Å; T13-M15 HydrophobicContact CG2-CE 3.48Å; T13-M15 VanDerWaalsContact CG2-CE 3.48Å; T13-M15 HydrophobicContact CG2-SD 4.16Å
14	L	83.3	Confident	85.2	Confident	146 Å²	146	96.9 Å²	96.9	76%	0.764	48%	0.476	S	S	*	.			trans	-93.6	127.8	169.7	-174.4	70.3	0	0	0	108.2	D16	L14-D16 PolarHBondContact O-N 3.41Å
15	M	82.2	Confident	85.9	Confident	76 Å²	76	99.1 Å²	99.1	37%	0.374	48%	0.478	S	S	.	.			trans	-88	101.2	172.2	-61.6	-58.7	176.8	0	0	108.9	T13 L64	T13-M15 HydrophobicContact CG2-CE 3.48Å; T13-M15 VanDerWaalsContact CG2-CE 3.48Å; T13-M15 HydrophobicContact CG2-SD 4.16Å; M15-L64 HydrophobicContact CE-CD2 3.75Å; M15-L64 HydrophobicContact CG-CD2 3.83Å; M15-L64 HydrophobicContact SD-CD2 4.48Å
16	D	83	Confident	86.5	Confident	117 Å²	117	98.7 Å²	98.7	63%	0.626	47%	0.469	S	S	*	.			trans	-105.1	2.4	-176.1	68.2	-13.6	0	0	0	113.9	L14 G18	L14-D16 PolarHBondContact O-N 3.41Å; D16-G18 PolarHBondContact O-N 2.79Å
17	Q	86.2	Confident	87.2	Confident	76 Å²	76	95 Å²	95	36%	0.355	45%	0.451	S	S	.	.	S	Bend	trans	-81.9	4.2	-177.1	-55.4	-60.4	-54.4	0	0	113.8	Y22 L523	Q17-Y22 HydrophobicContact CB-CE1 4.03Å; Q17-Y22 VanDerWaalsContact CB-OH 3.3Å; Q17-Y22 WeakPolarHBondContact CB-OH 3.13Å; Q17-L523 HydrophobicContact CG-CD1 4.45Å
18	G	90.4	Very high	87.8	Confident	43 Å²	43	91.3 Å²	91.3	44%	0.443	43%	0.43	S	S	.	.			trans	100.8	-171.1	-179.9	0	0	0	0	0	114	D16 Y22	D16-G18 PolarHBondContact O-N 2.79Å; G18-Y22 PolarHBondContact N-OH 3.24Å; G18-Y22 WeakPolarHBondContact O-CE2 3.35Å; G18-Y22 PolarHBondContact O-OH 2.74Å
19	W	91.4	Very high	88.2	Confident	113 Å²	113	87 Å²	87	43%	0.428	42%	0.422	S	S	.	.	S	Bend	trans	-83.2	151.4	176.6	60.1	-91.8	0	0	0	110.7	C66 Q68 F294	W19-C66 CarbonylContact C-O 3.4Å; W19-C66 WeakPolarHBondContact CA-O 3.41Å; W19-C66 WeakPolarHBondContact CB-O 3.28Å; W19-Q68 HydrophobicContact CB-CB 4.36Å; W19-Q68 HydrophobicContact CD2-CB 4.34Å; W19-Q68 HydrophobicContact CG-CB 3.92Å; W19-Q68 HydrophobicContact CG-CG 4.49Å; W19-F294 HydrophobicContact CE3-CB 3.97Å; W19-F294 AromaticContact CE3-CD1 3.95Å; W19-F294 HydrophobicContact CE3-CD1 3.95Å; W19-F294 HydrophobicContact CE3-CD2 4.19Å; W19-F294 AromaticContact CE3-CG 3.78Å; W19-F294 HydrophobicContact CE3-CG 3.78Å; W19-F294 HydrophobicContact CZ3-CB 4.1Å; W19-F294 AromaticContact CZ3-CD2 3.93Å; W19-F294 HydrophobicContact CZ3-CD2 3.93Å; W19-F294 AromaticContact CZ3-CG 3.94Å; W19-F294 HydrophobicContact CZ3-CG 3.94Å
20	G	92.4	Very high	88.5	Confident	15 Å²	15	85.2 Å²	85.2	16%	0.155	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.3	-176.2	-175	0	0	0	0	0	111.8	C66	G20-C66 PolarHBondContact N-O 2.73Å; G20-C66 PolarHBondContact O-N 2.66Å; G20-C66 VanDerWaalsContact O-O 3.08Å
21	L	93.5	Very high	88.7	Confident	35 Å²	35	88.1 Å²	88.1	18%	0.183	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.7	176.8	-157.8	63.1	0	0	0	109.7	F23 Q63 T65 N282 F294	L21-F23 HydrophobicContact CB-CE2 4.2Å; L21-F23 HydrophobicContact CD2-CE1 4.31Å; L21-F23 HydrophobicContact CD2-CE2 3.71Å; L21-F23 HydrophobicContact CD2-CZ 3.32Å; L21-F23 HydrophobicContact CG-CE2 3.8Å; L21-F23 HydrophobicContact CG-CZ 3.71Å; L21-Q63 HydrophobicContact CD1-CG 3.46Å; L21-Q63 VanDerWaalsContact CD1-CG 3.46Å; L21-Q63 HydrophobicContact CD2-CG 4.33Å; L21-Q63 HydrophobicContact CG-CG 3.97Å; L21-T65 HydrophobicContact CD1-CG2 4.48Å; L21-T65 WeakPolarHBondContact CD1-OG1 3.26Å; L21-N282 HydrophobicContact CD2-CB 4.08Å; L21-N282 WeakPolarHBondContact CD2-OD1 3.33Å; L21-F294 HydrophobicContact CB-CZ 4.46Å
22	Y	93	Very high	88.9	Confident	51 Å²	51	85.3 Å²	85.3	20%	0.2	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.2	178	-65.4	-94.9	0	0	0	109.5	Q17 G18 L64 C66	Q17-Y22 HydrophobicContact CB-CE1 4.03Å; Q17-Y22 VanDerWaalsContact CB-OH 3.3Å; Q17-Y22 WeakPolarHBondContact CB-OH 3.13Å; G18-Y22 PolarHBondContact N-OH 3.24Å; G18-Y22 WeakPolarHBondContact O-CE2 3.35Å; G18-Y22 PolarHBondContact O-OH 2.74Å; Y22-L64 PolarHBondContact N-O 2.9Å; Y22-L64 PolarHBondContact O-N 2.96Å; Y22-C66 HydrophobicContact CD2-CB 3.96Å; Y22-C66 VanDerWaalsContact CD2-SG 3.54Å; Y22-C66 HydrophobicContact CE2-CB 3.67Å
23	F	93.2	Very high	88.9	Confident	89 Å²	89	87 Å²	87	39%	0.39	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.6	176	-69.2	-76.8	0	0	0	109	L21 P61 Y62 Q63 R289	L21-F23 HydrophobicContact CB-CE2 4.2Å; L21-F23 HydrophobicContact CD2-CE1 4.31Å; L21-F23 HydrophobicContact CD2-CE2 3.71Å; L21-F23 HydrophobicContact CD2-CZ 3.32Å; L21-F23 HydrophobicContact CG-CE2 3.8Å; L21-F23 HydrophobicContact CG-CZ 3.71Å; F23-P61 HydrophobicContact CB-CB 3.84Å; F23-P61 HydrophobicContact CB-CG 3.89Å; F23-P61 HydrophobicContact CD1-CB 4.3Å; F23-P61 HydrophobicContact CD1-CG 3.85Å; F23-P61 HydrophobicContact CG-CG 4.19Å; F23-Y62 VanDerWaalsContact CA-O 3.28Å; F23-Y62 WeakPolarHBondContact CA-O 3.38Å; F23-Q63 HydrophobicContact CE1-CB 4.16Å; F23-Q63 HydrophobicContact CE1-CG 4.24Å; F23-R289 VanDerWaalsContact CE2-NH1 3.34Å
24	Y	92.4	Very high	89.2	Confident	93 Å²	93	88.2 Å²	88.2	37%	0.365	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.8	-177.1	74.5	-84.4	0	0	0	112.4	F26 P61 Y62 L64	Y24-F26 HydrophobicContact CD2-CE2 4.27Å; Y24-F26 HydrophobicContact CD2-CZ 4.27Å; Y24-F26 AromaticContact CE2-CE2 3.91Å; Y24-F26 HydrophobicContact CE2-CE2 3.91Å; Y24-F26 AromaticContact CE2-CZ 3.92Å; Y24-F26 HydrophobicContact CE2-CZ 3.92Å; Y24-P61 CarbonylContact O-C 3.45Å; Y24-P61 WeakPolarHBondContact O-CA 3.38Å; Y24-Y62 HydrophobicContact CD2-CD2 4.42Å; Y24-Y62 VanDerWaalsContact CE1-CB 3.4Å; Y24-Y62 HydrophobicContact CE1-CG 4.41Å; Y24-Y62 AromaticContact CE2-CD2 3.94Å; Y24-Y62 HydrophobicContact CE2-CD2 3.94Å; Y24-Y62 HydrophobicContact CE2-CG 4.14Å; Y24-Y62 VanDerWaalsContact CZ-CB 3.41Å; Y24-Y62 AromaticContact CZ-CG 3.94Å; Y24-Y62 PolarHBondContact N-O 2.78Å; Y24-Y62 PolarHBondContact O-N 2.84Å; Y24-L64 HydrophobicContact CD1-CB 4.35Å; Y24-L64 HydrophobicContact CE1-CB 4.22Å
25	Y	93.8	Very high	89.3	Confident	84 Å²	84	87.8 Å²	87.8	33%	0.329	45%	0.45	S	S	.	.			trans	-149.9	167.6	170.9	61.6	-97.5	0	0	0	107.9	Y40 Y41 E56 V59 P61	Y25-Y40 HydrophobicContact CD2-CD1 4.06Å; Y25-Y40 AromaticContact CE2-CD1 3.7Å; Y25-Y40 HydrophobicContact CE2-CD1 3.7Å; Y25-Y40 HydrophobicContact CE2-CE1 4.17Å; Y25-Y41 WeakPolarHBondContact CB-O 3.43Å; Y25-E56 HydrophobicContact CE2-CG 4.28Å; Y25-E56 VanDerWaalsContact OH-CD 3.3Å; Y25-E56 WeakPolarHBondContact OH-CG 3.45Å; Y25-E56 PolarHBondContact OH-OE1 3.4Å; Y25-V59 VanDerWaalsContact CB-CG1 3.49Å; Y25-V59 HydrophobicContact CD1-CG1 3.98Å; Y25-V59 HydrophobicContact CD2-CG1 4.1Å; Y25-V59 HydrophobicContact CG-CB 4.46Å; Y25-V59 HydrophobicContact CG-CG1 3.58Å; Y25-P61 HydrophobicContact CD1-CB 4.39Å
26	F	92.4	Very high	89.6	Confident	68 Å²	68	89.7 Å²	89.7	30%	0.298	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.8	-179.9	-56.6	-88.8	0	0	0	110	Y24 Y40 Y41 Y62	Y24-F26 HydrophobicContact CD2-CE2 4.27Å; Y24-F26 HydrophobicContact CD2-CZ 4.27Å; Y24-F26 AromaticContact CE2-CE2 3.91Å; Y24-F26 HydrophobicContact CE2-CE2 3.91Å; Y24-F26 AromaticContact CE2-CZ 3.92Å; Y24-F26 HydrophobicContact CE2-CZ 3.92Å; F26-Y40 CarbonylContact O-C 3.52Å; F26-Y40 VanDerWaalsContact O-CA 3.26Å; F26-Y40 WeakPolarHBondContact O-CA 3.38Å; F26-Y41 HydrophobicContact CD2-CD1 4.1Å; F26-Y41 PolarHBondContact N-O 3.49Å; F26-Y41 PolarHBondContact O-N 3.17Å; F26-Y62 HydrophobicContact CE2-CE2 4.44Å
27	K	94.2	Very high	89.9	Confident	116 Å²	116	87.4 Å²	87.4	50%	0.504	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.4	165.4	-178.5	-178.3	179	-177.8	0	107.9	V29 I38 Y40	K27-V29 HydrophobicContact CD-CG2 4.45Å; K27-V29 HydrophobicContact CG-CG2 4.24Å; K27-I38 HydrophobicContact CD-CG2 4.36Å; K27-I38 HydrophobicContact CG-CG2 3.97Å; K27-Y40 HydrophobicContact CB-CD1 4.1Å; K27-Y40 HydrophobicContact CB-CE1 4.04Å; K27-Y40 HydrophobicContact CD-CE1 4.06Å; K27-Y40 HydrophobicContact CG-CD1 4.17Å; K27-Y40 HydrophobicContact CG-CE1 3.73Å
28	I	90.3	Very high	90.2	Very high	72 Å²	72	86.5 Å²	86.5	37%	0.369	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.1	-179.1	-54.9	172.4	0	0	0	107.1	I38 Q39	I28-I38 WeakPolarHBondContact O-CA 3.36Å; I28-Q39 HydrophobicContact CB-CB 4.48Å; I28-Q39 PolarHBondContact N-O 3.26Å; I28-Q39 PolarHBondContact O-N 3.01Å
29	V	90.4	Very high	90.4	Very high	73 Å²	73	88.3 Å²	88.3	44%	0.442	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120	177.3	-174.8	0	0	0	0	107.4	K27 E36	K27-V29 HydrophobicContact CD-CG2 4.45Å; K27-V29 HydrophobicContact CG-CG2 4.24Å; V29-E36 HydrophobicContact CG1-CG 3.51Å
30	H	86.1	Confident	90.6	Very high	115 Å²	115	84 Å²	84	53%	0.532	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.1	-179.6	178.4	-107.1	0	0	0	109.5	T37	H30-T37 PolarHBondContact N-O 2.84Å; H30-T37 PolarHBondContact O-N 3.41Å
31	E	86.5	Confident	90.6	Very high	151 Å²	151	86.3 Å²	86.3	71%	0.706	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.7	174.4	-69.8	-176.8	175.2	0	0	109.7	H35 E36	E31-H35 WeakPolarHBondContact CA-O 3.38Å; E31-E36 HydrophobicContact CG-CB 4.49Å; E31-E36 HydrophobicContact CG-CG 4.46Å
32	A	84.3	Confident	90.6	Very high	42 Å²	42	84.6 Å²	84.6	35%	0.347	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.3	172.8	0	0	0	0	0	110.3	G34 H35	A32-G34 PolarHBondContact O-N 3.27Å; A32-G34 VanDerWaalsContact O-N 3.1Å; A32-H35 PolarHBondContact N-O 3.17Å; A32-H35 PolarHBondContact O-N 3.41Å
33	E	86.1	Confident	90.6	Very high	194 Å²	194	83.6 Å²	83.6	91%	0.907	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	31.7	175.5	-56.6	-176.4	172.2	0	0	114.2	H35	E33-H35 VanDerWaalsContact C-N 3.31Å
34	G	87.4	Confident	90.6	Very high	83 Å²	83	82.4 Å²	82.4	86%	0.856	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	5.2	-178.1	0	0	0	0	0	114.9	A32	A32-G34 PolarHBondContact O-N 3.27Å; A32-G34 VanDerWaalsContact O-N 3.1Å
35	H	86.3	Confident	90.3	Very high	138 Å²	138	79.5 Å²	79.5	64%	0.639	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.9	175.2	-66.4	-72.6	0	0	0	111.3	E31 A32 E33	E31-H35 WeakPolarHBondContact CA-O 3.38Å; A32-H35 PolarHBondContact N-O 3.17Å; A32-H35 PolarHBondContact O-N 3.41Å; E33-H35 VanDerWaalsContact C-N 3.31Å
36	E	89.4	Confident	89.6	Confident	115 Å²	115	78.9 Å²	78.9	54%	0.537	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.7	171.4	-170.3	-174.7	99.7	0	0	109.7	V29 E31 I38	V29-E36 HydrophobicContact CG1-CG 3.51Å; E31-E36 HydrophobicContact CG-CB 4.49Å; E31-E36 HydrophobicContact CG-CG 4.46Å; E36-I38 HydrophobicContact CG-CG1 4.35Å; E36-I38 WeakPolarHBondContact OE1-CD1 3.34Å; E36-I38 WeakPolarHBondContact OE1-CG1 3.43Å
37	T	89.3	Confident	89.2	Confident	69 Å²	69	75.7 Å²	75.7	42%	0.423	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.1	170.1	-56.2	0	0	0	0	109.2	H30 Q39	H30-T37 PolarHBondContact N-O 2.84Å; H30-T37 PolarHBondContact O-N 3.41Å; T37-Q39 HydrophobicContact CG2-CG 4.45Å
38	I	92.6	Very high	88.7	Confident	57 Å²	57	72 Å²	72	29%	0.292	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.8	176.1	-56.1	174.8	0	0	0	108.9	K27 I28 E36 Y40	K27-I38 HydrophobicContact CD-CG2 4.36Å; K27-I38 HydrophobicContact CG-CG2 3.97Å; I28-I38 WeakPolarHBondContact O-CA 3.36Å; E36-I38 HydrophobicContact CG-CG1 4.35Å; E36-I38 WeakPolarHBondContact OE1-CD1 3.34Å; E36-I38 WeakPolarHBondContact OE1-CG1 3.43Å; I38-Y40 HydrophobicContact CG2-CE1 4.4Å; I38-Y40 HydrophobicContact CG2-CE2 3.82Å
39	Q	93.2	Very high	88.6	Confident	81 Å²	81	75.9 Å²	75.9	38%	0.379	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	160.2	170.1	-69.3	-177.5	-22.5	0	0	109.7	I28 T37 I52	I28-Q39 HydrophobicContact CB-CB 4.48Å; I28-Q39 PolarHBondContact N-O 3.26Å; I28-Q39 PolarHBondContact O-N 3.01Å; T37-Q39 HydrophobicContact CG2-CG 4.45Å; Q39-I52 HydrophobicContact CB-CG2 4.06Å; Q39-I52 HydrophobicContact CG-CG2 4.26Å
40	Y	95.2	Very high	88.7	Confident	22 Å²	22	73 Å²	73	9%	0.086	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.4	175.9	-56.8	-92.4	0	0	0	109.7	Y25 F26 K27 I38 I52 Y53 E56 V59	Y25-Y40 HydrophobicContact CD2-CD1 4.06Å; Y25-Y40 AromaticContact CE2-CD1 3.7Å; Y25-Y40 HydrophobicContact CE2-CD1 3.7Å; Y25-Y40 HydrophobicContact CE2-CE1 4.17Å; F26-Y40 CarbonylContact O-C 3.52Å; F26-Y40 VanDerWaalsContact O-CA 3.26Å; F26-Y40 WeakPolarHBondContact O-CA 3.38Å; K27-Y40 HydrophobicContact CB-CD1 4.1Å; K27-Y40 HydrophobicContact CB-CE1 4.04Å; K27-Y40 HydrophobicContact CD-CE1 4.06Å; K27-Y40 HydrophobicContact CG-CD1 4.17Å; K27-Y40 HydrophobicContact CG-CE1 3.73Å; I38-Y40 HydrophobicContact CG2-CE1 4.4Å; I38-Y40 HydrophobicContact CG2-CE2 3.82Å; Y40-I52 CarbonylContact O-C 3.52Å; Y40-I52 VanDerWaalsContact O-CA 3.26Å; Y40-I52 WeakPolarHBondContact O-CA 3.43Å; Y40-Y53 PolarHBondContact N-O 3.33Å; Y40-Y53 PolarHBondContact O-N 2.74Å; Y40-E56 HydrophobicContact CD1-CB 4.22Å; Y40-E56 HydrophobicContact CD1-CG 4.09Å; Y40-E56 HydrophobicContact CD2-CB 4.39Å; Y40-E56 HydrophobicContact CE1-CB 3.67Å; Y40-E56 HydrophobicContact CE1-CG 3.6Å; Y40-E56 HydrophobicContact CE2-CB 3.88Å; Y40-E56 VanDerWaalsContact CE2-N 3.28Å; Y40-E56 PolarHBondContact OH-OE2 2.91Å; Y40-V59 HydrophobicContact CD1-CG2 4.27Å; Y40-V59 HydrophobicContact CD2-CG2 4.44Å; Y40-V59 HydrophobicContact CG-CG2 3.78Å
41	Y	93.8	Very high	89.1	Confident	64 Å²	64	73.2 Å²	73.2	25%	0.251	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.4	175.4	-172	-91.7	0	0	0	109.6	Y25 F26 G50 R51 I52 Y62	Y25-Y41 WeakPolarHBondContact CB-O 3.43Å; F26-Y41 HydrophobicContact CD2-CD1 4.1Å; F26-Y41 PolarHBondContact N-O 3.49Å; F26-Y41 PolarHBondContact O-N 3.17Å; Y41-G50 VanDerWaalsContact CZ-CA 3.47Å; Y41-G50 WeakPolarHBondContact OH-CA 3.26Å; Y41-G50 PolarHBondContact OH-N 3.45Å; Y41-G50 PolarHBondContact OH-O 2.91Å; Y41-R51 WeakPolarHBondContact CA-O 3.45Å; Y41-I52 HydrophobicContact CD2-CG1 3.93Å; Y41-Y62 HydrophobicContact CD1-CE2 4.44Å; Y41-Y62 HydrophobicContact CE1-CE2 4.47Å; Y41-Y62 WeakPolarHBondContact CE1-OH 3.12Å
42	G	93.6	Very high	89.4	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-177.3	-173.8	0	0	0	0	0	112.7	G50 R51 I60	G42-G50 CarbonylContact O-C 3.54Å; G42-G50 WeakPolarHBondContact O-CA 3.39Å; G42-R51 PolarHBondContact N-O 3.38Å; G42-R51 VanDerWaalsContact N-O 3.08Å; G42-R51 PolarHBondContact O-N 3.06Å; G42-I60 CarbonylContact C-O 3.46Å; G42-I60 WeakPolarHBondContact CA-O 3.41Å
43	F	93.2	Very high	90	Very high	29 Å²	29	69.1 Å²	69.1	13%	0.127	37%	0.367	C	S	.	.			trans	-65.4	133.7	-176.7	178.4	-124.3	0	0	0	112.6	G45 Q46 Y53 I60 Y62	F43-G45 VanDerWaalsContact CZ-CA 3.45Å; F43-G45 WeakPolarHBondContact CZ-O 3.43Å; F43-Q46 VanDerWaalsContact CZ-N 3.32Å; F43-Y53 PolarHBondContact O-OH 3.34Å; F43-I60 HydrophobicContact CB-CB 4.47Å; F43-I60 HydrophobicContact CB-CG2 4.25Å; F43-I60 WeakPolarHBondContact CB-O 3.23Å; F43-I60 HydrophobicContact CD1-CG2 3.78Å; F43-I60 PolarHBondContact N-O 2.95Å; F43-I60 WeakPolarHBondContact O-CB 3.22Å; F43-Y62 HydrophobicContact CB-CD1 3.97Å; F43-Y62 HydrophobicContact CB-CE1 4.11Å; F43-Y62 HydrophobicContact CB-CG 4.22Å; F43-Y62 HydrophobicContact CD2-CD1 4.08Å; F43-Y62 AromaticContact CD2-CE1 3.99Å; F43-Y62 HydrophobicContact CD2-CE1 3.99Å; F43-Y62 HydrophobicContact CG-CD1 4.42Å
44	K	91.6	Very high	90.2	Very high	64 Å²	64	63.2 Å²	63.2	28%	0.278	36%	0.358	S	S	.	.			trans	-83.5	-14.9	-179.8	68.5	173.4	171.5	177.2	0	115.3	G47 E49 R51 E325	K44-G47 WeakPolarHBondContact CE-O 3.44Å; K44-E49 WeakPolarHBondContact CD-O 3.5Å; K44-E49 WeakPolarHBondContact CE-O 3.45Å; K44-E49 VanDerWaalsContact CG-O 3.31Å; K44-E49 WeakPolarHBondContact CG-O 3.37Å; K44-R51 HydrophobicContact CB-CB 4.4Å; K44-R51 HydrophobicContact CB-CG 4.4Å; K44-E325 WeakPolarHBondContact CE-OE2 3.32Å; K44-E325 VanDerWaalsContact NZ-CD 3.32Å; K44-E325 IonicContact NZ-OE1 2.91Å; K44-E325 PolarHBondContact NZ-OE1 3.24Å; K44-E325 IonicContact NZ-OE2 3.77Å; K44-E325 PolarHBondContact NZ-OE2 2.86Å
45	G	85.8	Confident	90.5	Very high	33 Å²	33	61.5 Å²	61.5	34%	0.34	33%	0.333	S	S	.	.	S	Bend	trans	121.4	-22.2	178.2	0	0	0	0	0	116	F43	F43-G45 VanDerWaalsContact CZ-CA 3.45Å; F43-G45 WeakPolarHBondContact CZ-O 3.43Å
46	Q	79.8	Confident	90.9	Very high	71 Å²	71	59.5 Å²	59.5	33%	0.332	32%	0.324	S	S	.	.	S	Bend	trans	-113.5	-43.7	-173.9	-76	158.4	-30.7	0	0	113.3	F43 D322 E326 R329	F43-Q46 VanDerWaalsContact CZ-N 3.32Å; Q46-D322 PolarHBondContact NE2-OD2 3.19Å; Q46-E326 WeakPolarHBondContact O-CA 3.42Å; Q46-E326 PolarHBondContact O-N 2.95Å; Q46-R329 WeakPolarHBondContact O-CD 3.39Å
47	G	83.4	Confident	91.1	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.01	34%	0.337	C	S	.	.	S	Bend	trans	152.9	-176.6	-174.9	0	0	0	0	0	109.1	K44 E325	K44-G47 WeakPolarHBondContact CE-O 3.44Å; G47-E325 WeakPolarHBondContact CA-O 3.3Å
48	G	84.5	Confident	91.3	Very high	39 Å²	39	66.5 Å²	66.5	40%	0.402	34%	0.342	S	S	.	.	S	Bend	trans	62.7	-141	170.3	0	0	0	0	0	114.8	G50	G48-G50 PolarHBondContact O-N 3.29Å
49	E	87.9	Confident	91.4	Very high	152 Å²	152	64.7 Å²	64.7	71%	0.71	33%	0.334	S	S	*	.	S	Bend	trans	-58.6	133.6	-179	-67.7	-172.2	171.6	0	0	111.4	K44	K44-E49 WeakPolarHBondContact CD-O 3.5Å; K44-E49 WeakPolarHBondContact CE-O 3.45Å; K44-E49 VanDerWaalsContact CG-O 3.31Å; K44-E49 WeakPolarHBondContact CG-O 3.37Å
50	G	91.9	Very high	91.4	Very high	13 Å²	13	63.5 Å²	63.5	13%	0.134	33%	0.33	C	S	.	.			trans	-74.3	-168	172.4	0	0	0	0	0	112.9	Y41 G42 G48 Y62	Y41-G50 VanDerWaalsContact CZ-CA 3.47Å; Y41-G50 WeakPolarHBondContact OH-CA 3.26Å; Y41-G50 PolarHBondContact OH-N 3.45Å; Y41-G50 PolarHBondContact OH-O 2.91Å; G42-G50 CarbonylContact O-C 3.54Å; G42-G50 WeakPolarHBondContact O-CA 3.39Å; G48-G50 PolarHBondContact O-N 3.29Å; G50-Y62 WeakPolarHBondContact CA-OH 3.28Å; G50-Y62 PolarHBondContact N-OH 2.91Å; G50-Y62 VanDerWaalsContact N-OH 3.07Å
51	R	94.4	Very high	91.4	Very high	119 Å²	119	64.2 Å²	64.2	45%	0.449	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	156.2	174.5	74.1	-178.2	-157.3	-171.5	2.3	111.4	Y41 G42 K44 Y53	Y41-R51 WeakPolarHBondContact CA-O 3.45Å; G42-R51 PolarHBondContact N-O 3.38Å; G42-R51 VanDerWaalsContact N-O 3.08Å; G42-R51 PolarHBondContact O-N 3.06Å; K44-R51 HydrophobicContact CB-CB 4.4Å; K44-R51 HydrophobicContact CB-CG 4.4Å; R51-Y53 HydrophobicContact CG-CD2 3.96Å; R51-Y53 HydrophobicContact CG-CE1 4.37Å; R51-Y53 HydrophobicContact CG-CE2 3.3Å; R51-Y53 VanDerWaalsContact CZ-CE1 3.48Å; R51-Y53 PolarHBondContact NE-OH 2.99Å; R51-Y53 VanDerWaalsContact O-CD2 3.23Å; R51-Y53 WeakPolarHBondContact O-CD2 3.17Å; R51-Y53 WeakPolarHBondContact O-CE2 3.49Å
52	I	94.7	Very high	91.4	Very high	102 Å²	102	62.8 Å²	62.8	52%	0.523	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	138.5	171.5	-61.8	173.8	0	0	0	109.5	Q39 Y40 Y41	Q39-I52 HydrophobicContact CB-CG2 4.06Å; Q39-I52 HydrophobicContact CG-CG2 4.26Å; Y40-I52 CarbonylContact O-C 3.52Å; Y40-I52 VanDerWaalsContact O-CA 3.26Å; Y40-I52 WeakPolarHBondContact O-CA 3.43Å; Y41-I52 HydrophobicContact CD2-CG1 3.93Å
53	Y	95.4	Very high	91.3	Very high	6 Å²	6	64.2 Å²	64.2	2%	0.024	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.4	174.4	-63.3	-102.9	0	0	0	109.4	Y40 F43 R51 E58 V59 I60	Y40-Y53 PolarHBondContact N-O 3.33Å; Y40-Y53 PolarHBondContact O-N 2.74Å; F43-Y53 PolarHBondContact O-OH 3.34Å; R51-Y53 HydrophobicContact CG-CD2 3.96Å; R51-Y53 HydrophobicContact CG-CE1 4.37Å; R51-Y53 HydrophobicContact CG-CE2 3.3Å; R51-Y53 VanDerWaalsContact CZ-CE1 3.48Å; R51-Y53 PolarHBondContact NE-OH 2.99Å; R51-Y53 VanDerWaalsContact O-CD2 3.23Å; R51-Y53 WeakPolarHBondContact O-CD2 3.17Å; R51-Y53 WeakPolarHBondContact O-CE2 3.49Å; Y53-E58 HydrophobicContact CD1-CB 3.86Å; Y53-E58 VanDerWaalsContact CD1-O 3.31Å; Y53-E58 WeakPolarHBondContact CD1-O 3.5Å; Y53-E58 HydrophobicContact CE1-CB 4.48Å; Y53-E58 WeakPolarHBondContact CE1-O 3.41Å; Y53-V59 HydrophobicContact CD2-CB 4.48Å; Y53-V59 HydrophobicContact CD2-CG1 4.31Å; Y53-V59 HydrophobicContact CD2-CG2 4.22Å; Y53-V59 HydrophobicContact CE2-CG1 4.4Å; Y53-V59 HydrophobicContact CG-CB 4.47Å; Y53-V59 HydrophobicContact CG-CG2 4Å; Y53-I60 HydrophobicContact CE1-CG1 4.48Å; Y53-I60 WeakPolarHBondContact OH-CG1 3.38Å
54	G	91.9	Very high	91.3	Very high	70 Å²	70	65.7 Å²	65.7	72%	0.722	35%	0.347	S	S	*	.	S	Bend	trans	-81.5	-15.5	176.9	0	0	0	0	0	114
55	S	92.5	Very high	91.4	Very high	47 Å²	47	63.3 Å²	63.3	33%	0.329	34%	0.337	S	S	.	.	S	Bend	trans	-138.7	139.7	-178.7	-174.5	0	0	0	0	111.1	R57 E58 V59	S55-R57 PolarHBondContact O-N 3.02Å; S55-E58 PolarHBondContact O-N 3.02Å; S55-V59 WeakPolarHBondContact O-CG2 3.39Å
56	E	94.5	Very high	91.7	Very high	96 Å²	96	63 Å²	63	45%	0.449	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-57.3	-35.6	177.4	-162	177.1	153.5	0	0	112.1	Y25 Y40 E58 V59	Y25-E56 HydrophobicContact CE2-CG 4.28Å; Y25-E56 VanDerWaalsContact OH-CD 3.3Å; Y25-E56 WeakPolarHBondContact OH-CG 3.45Å; Y25-E56 PolarHBondContact OH-OE1 3.4Å; Y40-E56 HydrophobicContact CD1-CB 4.22Å; Y40-E56 HydrophobicContact CD1-CG 4.09Å; Y40-E56 HydrophobicContact CD2-CB 4.39Å; Y40-E56 HydrophobicContact CE1-CB 3.67Å; Y40-E56 HydrophobicContact CE1-CG 3.6Å; Y40-E56 HydrophobicContact CE2-CB 3.88Å; Y40-E56 VanDerWaalsContact CE2-N 3.28Å; Y40-E56 PolarHBondContact OH-OE2 2.91Å; E56-E58 PolarHBondContact O-N 3.44Å; E56-V59 WeakPolarHBondContact O-CB 3.45Å; E56-V59 WeakPolarHBondContact O-CG2 3.47Å; E56-V59 PolarHBondContact O-N 3.42Å
57	R	93.2	Very high	92.3	Very high	214 Å²	214	63.9 Å²	63.9	81%	0.808	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-68.4	-18.5	-176.1	-65.2	-177.2	178.4	177.7	-1.2	114	S55	S55-R57 PolarHBondContact O-N 3.02Å
58	E	93.4	Very high	92.8	Very high	117 Å²	117	69 Å²	69	55%	0.547	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-95.8	-14.2	-179.3	-63.1	-179.9	171.8	0	0	112.2	Y53 S55 E56 I60	Y53-E58 HydrophobicContact CD1-CB 3.86Å; Y53-E58 VanDerWaalsContact CD1-O 3.31Å; Y53-E58 WeakPolarHBondContact CD1-O 3.5Å; Y53-E58 HydrophobicContact CE1-CB 4.48Å; Y53-E58 WeakPolarHBondContact CE1-O 3.41Å; S55-E58 PolarHBondContact O-N 3.02Å; E56-E58 PolarHBondContact O-N 3.44Å; E58-I60 PolarHBondContact O-N 3.37Å
59	V	95.4	Very high	93.1	Very high	18 Å²	18	71.5 Å²	71.5	11%	0.109	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-63.5	127.5	-174.3	-175.6	0	0	0	0	109.5	Y25 Y40 Y53 S55 E56	Y25-V59 VanDerWaalsContact CB-CG1 3.49Å; Y25-V59 HydrophobicContact CD1-CG1 3.98Å; Y25-V59 HydrophobicContact CD2-CG1 4.1Å; Y25-V59 HydrophobicContact CG-CB 4.46Å; Y25-V59 HydrophobicContact CG-CG1 3.58Å; Y40-V59 HydrophobicContact CD1-CG2 4.27Å; Y40-V59 HydrophobicContact CD2-CG2 4.44Å; Y40-V59 HydrophobicContact CG-CG2 3.78Å; Y53-V59 HydrophobicContact CD2-CB 4.48Å; Y53-V59 HydrophobicContact CD2-CG1 4.31Å; Y53-V59 HydrophobicContact CD2-CG2 4.22Å; Y53-V59 HydrophobicContact CE2-CG1 4.4Å; Y53-V59 HydrophobicContact CG-CB 4.47Å; Y53-V59 HydrophobicContact CG-CG2 4Å; S55-V59 WeakPolarHBondContact O-CG2 3.39Å; E56-V59 WeakPolarHBondContact O-CB 3.45Å; E56-V59 WeakPolarHBondContact O-CG2 3.47Å; E56-V59 PolarHBondContact O-N 3.42Å
60	I	94.2	Very high	93.2	Very high	57 Å²	57	67.1 Å²	67.1	29%	0.292	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-92.3	118.6	167.4	-52.8	173.1	0	0	0	106	G42 F43 Y53 E58	G42-I60 CarbonylContact C-O 3.46Å; G42-I60 WeakPolarHBondContact CA-O 3.41Å; F43-I60 HydrophobicContact CB-CB 4.47Å; F43-I60 HydrophobicContact CB-CG2 4.25Å; F43-I60 WeakPolarHBondContact CB-O 3.23Å; F43-I60 HydrophobicContact CD1-CG2 3.78Å; F43-I60 PolarHBondContact N-O 2.95Å; F43-I60 WeakPolarHBondContact O-CB 3.22Å; Y53-I60 HydrophobicContact CE1-CG1 4.48Å; Y53-I60 WeakPolarHBondContact OH-CG1 3.38Å; E58-I60 PolarHBondContact O-N 3.37Å
61	P	94.6	Very high	93.1	Very high	36 Å²	36	66.6 Å²	66.6	23%	0.234	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-74.7	152.2	-178.7	30.1	-34.3	0	0	0	111.4	F23 Y24 Y25	F23-P61 HydrophobicContact CB-CB 3.84Å; F23-P61 HydrophobicContact CB-CG 3.89Å; F23-P61 HydrophobicContact CD1-CB 4.3Å; F23-P61 HydrophobicContact CD1-CG 3.85Å; F23-P61 HydrophobicContact CG-CG 4.19Å; Y24-P61 CarbonylContact O-C 3.45Å; Y24-P61 WeakPolarHBondContact O-CA 3.38Å; Y25-P61 HydrophobicContact CD1-CB 4.39Å
62	Y	92.7	Very high	92.9	Very high	35 Å²	35	66.2 Å²	66.2	14%	0.137	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	156	161.1	-68.1	-81.1	0	0	0	110.5	F23 Y24 F26 Y41 F43 G50	F23-Y62 VanDerWaalsContact CA-O 3.28Å; F23-Y62 WeakPolarHBondContact CA-O 3.38Å; Y24-Y62 HydrophobicContact CD2-CD2 4.42Å; Y24-Y62 VanDerWaalsContact CE1-CB 3.4Å; Y24-Y62 HydrophobicContact CE1-CG 4.41Å; Y24-Y62 AromaticContact CE2-CD2 3.94Å; Y24-Y62 HydrophobicContact CE2-CD2 3.94Å; Y24-Y62 HydrophobicContact CE2-CG 4.14Å; Y24-Y62 VanDerWaalsContact CZ-CB 3.41Å; Y24-Y62 AromaticContact CZ-CG 3.94Å; Y24-Y62 PolarHBondContact N-O 2.78Å; Y24-Y62 PolarHBondContact O-N 2.84Å; F26-Y62 HydrophobicContact CE2-CE2 4.44Å; Y41-Y62 HydrophobicContact CD1-CE2 4.44Å; Y41-Y62 HydrophobicContact CE1-CE2 4.47Å; Y41-Y62 WeakPolarHBondContact CE1-OH 3.12Å; F43-Y62 HydrophobicContact CB-CD1 3.97Å; F43-Y62 HydrophobicContact CB-CE1 4.11Å; F43-Y62 HydrophobicContact CB-CG 4.22Å; F43-Y62 HydrophobicContact CD2-CD1 4.08Å; F43-Y62 AromaticContact CD2-CE1 3.99Å; F43-Y62 HydrophobicContact CD2-CE1 3.99Å; F43-Y62 HydrophobicContact CG-CD1 4.42Å; G50-Y62 WeakPolarHBondContact CA-OH 3.28Å; G50-Y62 PolarHBondContact N-OH 2.91Å; G50-Y62 VanDerWaalsContact N-OH 3.07Å
63	Q	93.2	Very high	92.9	Very high	29 Å²	29	61.7 Å²	61.7	14%	0.136	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.2	177.2	179.8	179.7	-52	0	0	110.2	L21 F23 T65 S281 N282	L21-Q63 HydrophobicContact CD1-CG 3.46Å; L21-Q63 VanDerWaalsContact CD1-CG 3.46Å; L21-Q63 HydrophobicContact CD2-CG 4.33Å; L21-Q63 HydrophobicContact CG-CG 3.97Å; F23-Q63 HydrophobicContact CE1-CB 4.16Å; F23-Q63 HydrophobicContact CE1-CG 4.24Å; Q63-T65 PolarHBondContact NE2-OG1 2.85Å; Q63-S281 PolarHBondContact NE2-OG 3.05Å; Q63-N282 VanDerWaalsContact OE1-CG 3.26Å; Q63-N282 PolarHBondContact OE1-ND2 3.07Å
64	L	92	Very high	92.8	Very high	60 Å²	60	61.7 Å²	61.7	31%	0.314	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.4	168.7	178.1	68.9	0	0	0	109.2	M15 Y22 Y24	M15-L64 HydrophobicContact CE-CD2 3.75Å; M15-L64 HydrophobicContact CG-CD2 3.83Å; M15-L64 HydrophobicContact SD-CD2 4.48Å; Y22-L64 PolarHBondContact N-O 2.9Å; Y22-L64 PolarHBondContact O-N 2.96Å; Y24-L64 HydrophobicContact CD1-CB 4.35Å; Y24-L64 HydrophobicContact CE1-CB 4.22Å
65	T	93.6	Very high	92.9	Very high	14 Å²	14	64.5 Å²	64.5	9%	0.086	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	106.2	178.8	-55	0	0	0	0	110.2	L21 Q63 V293 F294 N333 P335	L21-T65 HydrophobicContact CD1-CG2 4.48Å; L21-T65 WeakPolarHBondContact CD1-OG1 3.26Å; Q63-T65 PolarHBondContact NE2-OG1 2.85Å; T65-V293 HydrophobicContact CG2-CG2 3.75Å; T65-F294 HydrophobicContact CG2-CE1 4.22Å; T65-N333 WeakPolarHBondContact CB-O 3.43Å; T65-N333 PolarHBondContact OG1-O 3.21Å; T65-P335 HydrophobicContact CG2-CG 4.19Å
66	C	93.2	Very high	93.1	Very high	26 Å²	26	65.3 Å²	65.3	18%	0.176	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.3	171.1	-62.2	0	0	0	0	108.8	W19 G20 Y22 F294	W19-C66 CarbonylContact C-O 3.4Å; W19-C66 WeakPolarHBondContact CA-O 3.41Å; W19-C66 WeakPolarHBondContact CB-O 3.28Å; G20-C66 PolarHBondContact N-O 2.73Å; G20-C66 PolarHBondContact O-N 2.66Å; G20-C66 VanDerWaalsContact O-O 3.08Å; Y22-C66 HydrophobicContact CD2-CB 3.96Å; Y22-C66 VanDerWaalsContact CD2-SG 3.54Å; Y22-C66 HydrophobicContact CE2-CB 3.67Å; C66-F294 WeakPolarHBondContact O-CD1 3.32Å; C66-F294 WeakPolarHBondContact O-CE1 3.46Å
67	Y	92.7	Very high	93.2	Very high	91 Å²	91	60.7 Å²	60.7	36%	0.357	28%	0.284	S	S	.	.			trans	-118.5	155.4	-172.3	55.7	-85.8	0	0	0	111.8	K69 P70 P335	Y67-K69 WeakPolarHBondContact CD2-O 3.43Å; Y67-P70 HydrophobicContact CE2-CB 4.47Å; Y67-P335 HydrophobicContact CD1-CB 3.64Å; Y67-P335 HydrophobicContact CD1-CG 3.58Å; Y67-P335 HydrophobicContact CD2-CB 4.37Å; Y67-P335 HydrophobicContact CE1-CB 3.63Å; Y67-P335 HydrophobicContact CE1-CG 4.1Å; Y67-P335 HydrophobicContact CE2-CB 4.35Å; Y67-P335 HydrophobicContact CG-CB 4.02Å; Y67-P335 HydrophobicContact CG-CG 3.89Å
68	Q	92.4	Very high	93.2	Very high	108 Å²	108	52.6 Å²	52.6	51%	0.505	25%	0.253	S	S	.	.	S	Bend	trans	-73	-42	-172.6	-171.6	-175.8	17.7	0	0	112	W19 F294	W19-Q68 HydrophobicContact CB-CB 4.36Å; W19-Q68 HydrophobicContact CD2-CB 4.34Å; W19-Q68 HydrophobicContact CG-CB 3.92Å; W19-Q68 HydrophobicContact CG-CG 4.49Å; Q68-F294 VanDerWaalsContact CB-O 3.32Å; Q68-F294 WeakPolarHBondContact CB-O 3.06Å; Q68-F294 PolarHBondContact N-O 3.12Å
69	K	91.8	Very high	93.3	Very high	92 Å²	92	48 Å²	48	40%	0.4	23%	0.232	S	C	.	.	S	Bend	trans	-155.2	153.2	-179.5	65.4	-177.4	-176	-175.1	0	110.6	Y67 G295	Y67-K69 WeakPolarHBondContact CD2-O 3.43Å; K69-G295 WeakPolarHBondContact CE-O 3.24Å; K69-G295 VanDerWaalsContact O-CA 3.29Å; K69-G295 WeakPolarHBondContact O-CA 3.34Å
70	P	90	Very high	93.4	Very high	60 Å²	60	47.1 Å²	47.1	39%	0.39	23%	0.227	S	C	.	.			trans	-64.3	139.8	179.1	25.3	-33.9	0	0	0	112.4	Y67 I72 D337	Y67-P70 HydrophobicContact CE2-CB 4.47Å; P70-I72 HydrophobicContact CB-CG1 4.04Å; P70-I72 HydrophobicContact CG-CD1 4.2Å; P70-I72 HydrophobicContact CG-CG1 4.15Å; P70-I72 PolarHBondContact O-N 3.36Å; P70-D337 WeakPolarHBondContact CB-OD2 3.41Å
71	E	89.2	Confident	93.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.213	C	C	.	.			trans	-81.2	63	175.4	-72.7	-80.1	176.3	0	0	110.3	A73 G295 D296 Q299 D337 F338 N341	E71-A73 PolarHBondContact O-N 3.38Å; E71-A73 VanDerWaalsContact O-N 3.17Å; E71-G295 WeakPolarHBondContact OE1-CA 3.49Å; E71-G295 PolarHBondContact OE1-N 2.99Å; E71-G295 VanDerWaalsContact OE1-N 3.09Å; E71-D296 PolarHBondContact OE1-N 3.19Å; E71-Q299 WeakPolarHBondContact OE2-CA 3.43Å; E71-Q299 WeakPolarHBondContact OE2-CG 3.3Å; E71-D337 HydrophobicContact CB-CB 4.45Å; E71-D337 WeakPolarHBondContact O-CB 3.49Å; E71-F338 HydrophobicContact CG-CD2 4.18Å; E71-N341 PolarHBondContact O-ND2 3.04Å
72	I	90	Very high	93.7	Very high	111 Å²	111	42.7 Å²	42.7	57%	0.569	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-65.6	121.3	-177.8	-54.9	176.3	0	0	0	109.1	P70 Q299	P70-I72 HydrophobicContact CB-CG1 4.04Å; P70-I72 HydrophobicContact CG-CD1 4.2Å; P70-I72 HydrophobicContact CG-CG1 4.15Å; P70-I72 PolarHBondContact O-N 3.36Å; I72-Q299 PolarHBondContact O-NE2 3.4Å
73	A	94	Very high	94	Very high	8 Å²	8	41 Å²	41	7%	0.066	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-91.4	153	174	0	0	0	0	0	111.6	E71 Y77 R78 I271 N341	E71-A73 PolarHBondContact O-N 3.38Å; E71-A73 VanDerWaalsContact O-N 3.17Å; A73-Y77 HydrophobicContact CB-CD1 3.73Å; A73-Y77 HydrophobicContact CB-CE1 4.4Å; A73-R78 HydrophobicContact CB-CG 4.18Å; A73-I271 HydrophobicContact CB-CD1 3.73Å; A73-N341 VanDerWaalsContact CB-OD1 3.23Å; A73-N341 WeakPolarHBondContact CB-OD1 3.45Å
74	P	95.1	Very high	94.3	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.039	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-52.9	145.7	171.3	-27	36.7	0	0	0	112.4	W76 Y77 R78 E269	P74-W76 VanDerWaalsContact C-N 3.27Å; P74-W76 HydrophobicContact CB-CG 4.18Å; P74-W76 PolarHBondContact O-N 2.76Å; P74-Y77 WeakPolarHBondContact O-CB 3.11Å; P74-Y77 PolarHBondContact O-N 2.99Å; P74-R78 PolarHBondContact O-N 3.2Å; P74-E269 WeakPolarHBondContact CA-OE2 3.16Å; P74-E269 HydrophobicContact CB-CB 4.05Å; P74-E269 VanDerWaalsContact CB-OE2 3.3Å; P74-E269 WeakPolarHBondContact CB-OE2 3.27Å; P74-E269 HydrophobicContact CG-CB 4.27Å; P74-E269 WeakPolarHBondContact CG-O 3.41Å
75	K	93.7	Very high	94.6	Very high	128 Å²	128	36.8 Å²	36.8	56%	0.557	17%	0.174	S	C	*	.	H	α-helix	trans	-64.7	-33.9	-178.2	-174.2	167.1	-172.7	165.2	0	112.1	Y77 N79 E269 E429	K75-Y77 PolarHBondContact O-N 3.32Å; K75-N79 WeakPolarHBondContact CG-ND2 3.29Å; K75-N79 WeakPolarHBondContact O-CB 3.23Å; K75-N79 PolarHBondContact O-N 3.36Å; K75-N79 PolarHBondContact O-ND2 3.02Å; K75-E269 PolarHBondContact N-OE2 3.35Å; K75-E429 IonicContact NZ-OE2 2.84Å
76	W	95.5	Very high	94.8	Very high	64 Å²	64	36.2 Å²	36.2	24%	0.242	17%	0.171	C	C	.	.	H	α-helix	trans	-60.8	-38	175.6	71.5	-100.6	0	0	0	111.1	P74 A80 F82 A153 A199 V201 D242 E269 I271	P74-W76 VanDerWaalsContact C-N 3.27Å; P74-W76 HydrophobicContact CB-CG 4.18Å; P74-W76 PolarHBondContact O-N 2.76Å; W76-A80 WeakPolarHBondContact O-CB 3.47Å; W76-A80 PolarHBondContact O-N 3.4Å; W76-F82 HydrophobicContact CH2-CZ 4.43Å; W76-F82 HydrophobicContact CZ3-CE2 4.37Å; W76-F82 HydrophobicContact CZ3-CZ 4.05Å; W76-A153 HydrophobicContact CZ3-CB 4.22Å; W76-A199 HydrophobicContact CD2-CB 4.12Å; W76-A199 HydrophobicContact CE3-CB 3.47Å; W76-A199 VanDerWaalsContact CE3-CB 3.47Å; W76-A199 HydrophobicContact CH2-CB 3.96Å; W76-A199 HydrophobicContact CZ3-CB 3.38Å; W76-V201 HydrophobicContact CH2-CG2 4.26Å; W76-D242 HydrophobicContact CH2-CB 3.93Å; W76-D242 HydrophobicContact CZ2-CB 3.71Å; W76-E269 PolarHBondContact NE1-O 3.47Å; W76-I271 HydrophobicContact CH2-CG2 3.74Å; W76-I271 HydrophobicContact CZ2-CB 4.41Å; W76-I271 HydrophobicContact CZ2-CG2 3.89Å
77	Y	96.9	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.8	-49	-179.4	177	-97.7	0	0	0	111.4	A73 P74 K75 N79 A80 F82 I271 I273 N341 I378	A73-Y77 HydrophobicContact CB-CD1 3.73Å; A73-Y77 HydrophobicContact CB-CE1 4.4Å; P74-Y77 WeakPolarHBondContact O-CB 3.11Å; P74-Y77 PolarHBondContact O-N 2.99Å; K75-Y77 PolarHBondContact O-N 3.32Å; Y77-N79 PolarHBondContact O-N 3.47Å; Y77-N79 VanDerWaalsContact O-N 3.16Å; Y77-A80 WeakPolarHBondContact O-CB 3.34Å; Y77-A80 PolarHBondContact O-N 2.93Å; Y77-F82 AromaticContact CD2-CE2 3.61Å; Y77-F82 HydrophobicContact CD2-CE2 3.61Å; Y77-F82 AromaticContact CD2-CZ 3.66Å; Y77-F82 HydrophobicContact CD2-CZ 3.66Å; Y77-F82 AromaticContact CE2-CE2 3.63Å; Y77-F82 HydrophobicContact CE2-CE2 3.63Å; Y77-F82 AromaticContact CE2-CZ 3.64Å; Y77-F82 HydrophobicContact CE2-CZ 3.64Å; Y77-I271 HydrophobicContact CD1-CD1 3.67Å; Y77-I271 HydrophobicContact CD1-CG1 4.14Å; Y77-I271 HydrophobicContact CD2-CB 4.14Å; Y77-I271 HydrophobicContact CD2-CD1 4.22Å; Y77-I271 HydrophobicContact CD2-CG1 3.78Å; Y77-I271 HydrophobicContact CD2-CG2 3.92Å; Y77-I271 HydrophobicContact CE1-CD1 3.8Å; Y77-I271 HydrophobicContact CE1-CG1 4.14Å; Y77-I271 HydrophobicContact CE2-CD1 4.37Å; Y77-I271 HydrophobicContact CE2-CG1 3.81Å; Y77-I271 HydrophobicContact CE2-CG2 4.3Å; Y77-I271 HydrophobicContact CG-CB 4.36Å; Y77-I271 HydrophobicContact CG-CD1 3.88Å; Y77-I271 HydrophobicContact CG-CG1 3.95Å; Y77-I273 WeakPolarHBondContact OH-CG2 3.47Å; Y77-N341 HydrophobicContact CE1-CB 4.11Å; Y77-N341 WeakPolarHBondContact CE1-O 3.27Å; Y77-N341 PolarHBondContact OH-O 3.16Å; Y77-I378 HydrophobicContact CD1-CD1 3.95Å; Y77-I378 HydrophobicContact CD1-CG1 4.18Å; Y77-I378 HydrophobicContact CE1-CD1 3.32Å; Y77-I378 HydrophobicContact CE1-CG1 3.85Å; Y77-I378 WeakPolarHBondContact O-CG1 3.49Å
78	R	94.1	Very high	95.3	Very high	43 Å²	43	30.7 Å²	30.7	16%	0.162	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-26	179.8	-75	-162.3	167.9	176.5	3.8	114.6	A73 P74 D337 N341	A73-R78 HydrophobicContact CB-CG 4.18Å; P74-R78 PolarHBondContact O-N 3.2Å; R78-D337 IonicContact CZ-OD1 3.55Å; R78-D337 IonicContact NH1-OD1 3.38Å; R78-D337 PolarHBondContact NH1-OD1 2.83Å; R78-D337 VanDerWaalsContact NH2-CA 3.33Å; R78-D337 VanDerWaalsContact NH2-CB 3.29Å; R78-D337 PolarHBondContact NH2-O 3.36Å; R78-D337 IonicContact NH2-OD1 3.44Å; R78-D337 PolarHBondContact NH2-OD1 3.07Å; R78-N341 PolarHBondContact NE-OD1 3.01Å; R78-N341 PolarHBondContact NH2-OD1 3Å
79	N	94.8	Very high	95.6	Very high	20 Å²	20	25.5 Å²	25.5	11%	0.107	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	6	179.5	-67.2	-58.3	0	0	0	112.8	K75 Y77 K425	K75-N79 WeakPolarHBondContact CG-ND2 3.29Å; K75-N79 WeakPolarHBondContact O-CB 3.23Å; K75-N79 PolarHBondContact O-N 3.36Å; K75-N79 PolarHBondContact O-ND2 3.02Å; Y77-N79 PolarHBondContact O-N 3.47Å; Y77-N79 VanDerWaalsContact O-N 3.16Å; N79-K425 HydrophobicContact CB-CB 4Å; N79-K425 HydrophobicContact CB-CD 4.07Å; N79-K425 HydrophobicContact CB-CG 4.32Å; N79-K425 VanDerWaalsContact OD1-CB 3.26Å; N79-K425 WeakPolarHBondContact OD1-CB 3.45Å; N79-K425 WeakPolarHBondContact OD1-CG 3.23Å; N79-K425 PolarHBondContact OD1-O 2.82Å; N79-K425 VanDerWaalsContact OD1-O 3.14Å
80	A	96.7	Very high	95.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.			trans	-76.5	155.1	-173	0	0	0	0	0	112.5	W76 Y77 F82 T152 A153 I378	W76-A80 WeakPolarHBondContact O-CB 3.47Å; W76-A80 PolarHBondContact O-N 3.4Å; Y77-A80 WeakPolarHBondContact O-CB 3.34Å; Y77-A80 PolarHBondContact O-N 2.93Å; A80-F82 HydrophobicContact CB-CD2 3.61Å; A80-F82 HydrophobicContact CB-CE2 3.53Å; A80-T152 VanDerWaalsContact CA-OG1 3.26Å; A80-T152 WeakPolarHBondContact CA-OG1 3.21Å; A80-A153 HydrophobicContact CB-CB 4.06Å; A80-I378 HydrophobicContact CB-CG2 3.99Å
81	V	97.7	Very high	96.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.085	C	C	.	.			trans	-117	109.8	157.1	178.3	0	0	0	0	105.1	I151 T152 A153 F373 P379 T418 R421 L422	V81-I151 HydrophobicContact CG1-CD1 3.81Å; V81-T152 PolarHBondContact N-OG1 3.02Å; V81-T152 PolarHBondContact O-N 3.4Å; V81-A153 PolarHBondContact O-N 2.75Å; V81-F373 HydrophobicContact CG1-CE1 4.02Å; V81-F373 HydrophobicContact CG1-CZ 4.3Å; V81-F373 HydrophobicContact CG2-CE1 4.42Å; V81-P379 HydrophobicContact CG2-CG 4.26Å; V81-T418 HydrophobicContact CG1-CG2 3.96Å; V81-R421 HydrophobicContact CG2-CG 4.18Å; V81-L422 HydrophobicContact CG2-CD2 3.96Å; V81-L422 HydrophobicContact CG2-CG 4.2Å
82	F	98.6	Very high	96.7	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	147.2	-177.7	-91.4	-105	0	0	0	111.4	W76 Y77 A80 A153 V201 L343 I378 P379 C380 V381	W76-F82 HydrophobicContact CH2-CZ 4.43Å; W76-F82 HydrophobicContact CZ3-CE2 4.37Å; W76-F82 HydrophobicContact CZ3-CZ 4.05Å; Y77-F82 AromaticContact CD2-CE2 3.61Å; Y77-F82 HydrophobicContact CD2-CE2 3.61Å; Y77-F82 AromaticContact CD2-CZ 3.66Å; Y77-F82 HydrophobicContact CD2-CZ 3.66Å; Y77-F82 AromaticContact CE2-CE2 3.63Å; Y77-F82 HydrophobicContact CE2-CE2 3.63Å; Y77-F82 AromaticContact CE2-CZ 3.64Å; Y77-F82 HydrophobicContact CE2-CZ 3.64Å; A80-F82 HydrophobicContact CB-CD2 3.61Å; A80-F82 HydrophobicContact CB-CE2 3.53Å; F82-A153 CarbonylContact C-O 3.34Å; F82-A153 VanDerWaalsContact CA-O 3.3Å; F82-A153 WeakPolarHBondContact CA-O 3.41Å; F82-A153 HydrophobicContact CD1-CB 3.85Å; F82-A153 HydrophobicContact CD2-CB 3.67Å; F82-A153 HydrophobicContact CE1-CB 3.71Å; F82-A153 HydrophobicContact CE2-CB 3.55Å; F82-A153 HydrophobicContact CG-CB 3.84Å; F82-A153 HydrophobicContact CZ-CB 3.57Å; F82-V201 HydrophobicContact CE1-CB 4.08Å; F82-V201 HydrophobicContact CE1-CG2 3.67Å; F82-V201 HydrophobicContact CZ-CG2 3.9Å; F82-L343 HydrophobicContact CB-CD1 4.03Å; F82-L343 HydrophobicContact CD1-CD1 4.2Å; F82-L343 HydrophobicContact CD2-CD1 3.85Å; F82-L343 HydrophobicContact CE2-CD1 4.33Å; F82-L343 HydrophobicContact CG-CD1 3.76Å; F82-I378 HydrophobicContact CD2-CG2 3.39Å; F82-I378 HydrophobicContact CE2-CG2 3.83Å; F82-I378 HydrophobicContact CG-CG2 4.44Å; F82-P379 PolarHBondContact N-O 2.77Å; F82-C380 HydrophobicContact CB-CB 3.76Å; F82-C380 WeakPolarHBondContact O-CA 3.43Å; F82-V381 PolarHBondContact O-N 3.5Å
83	Y	98.7	Very high	97	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	114.8	171.6	-165	-95.1	0	0	0	109.6	I85 F90 L146 L149 I151 A153 L154 Y155 V381 Y383 G384 E386 F401	Y83-I85 HydrophobicContact CD1-CD1 3.97Å; Y83-I85 HydrophobicContact CD1-CG1 3.53Å; Y83-I85 HydrophobicContact CE1-CD1 4.2Å; Y83-I85 HydrophobicContact CE1-CG1 3.75Å; Y83-F90 HydrophobicContact CE1-CD2 4.49Å; Y83-F90 AromaticContact CE1-CE2 3.74Å; Y83-F90 HydrophobicContact CE1-CE2 3.74Å; Y83-F90 HydrophobicContact CE1-CZ 4.19Å; Y83-L146 HydrophobicContact CD1-CD2 3.71Å; Y83-L146 HydrophobicContact CE1-CD2 3.89Å; Y83-L146 HydrophobicContact CG-CD2 4.12Å; Y83-L149 HydrophobicContact CD2-CD2 4.1Å; Y83-L149 HydrophobicContact CE2-CD2 3.74Å; Y83-I151 VanDerWaalsContact CB-CG2 3.47Å; Y83-I151 HydrophobicContact CD2-CD1 3.81Å; Y83-I151 HydrophobicContact CD2-CG1 3.99Å; Y83-I151 HydrophobicContact CG-CD1 4.23Å; Y83-I151 HydrophobicContact CG-CG1 4.12Å; Y83-I151 HydrophobicContact CG-CG2 4.45Å; Y83-A153 PolarHBondContact N-O 3.17Å; Y83-L154 HydrophobicContact CD1-CD2 4.32Å; Y83-L154 WeakPolarHBondContact O-CA 3.26Å; Y83-Y155 PolarHBondContact O-N 2.85Å; Y83-V381 CarbonylContact C-O 3.6Å; Y83-V381 WeakPolarHBondContact CA-O 3.26Å; Y83-V381 HydrophobicContact CD2-CB 3.83Å; Y83-V381 HydrophobicContact CD2-CG1 3.91Å; Y83-V381 HydrophobicContact CE2-CB 4.31Å; Y83-V381 HydrophobicContact CE2-CG1 3.86Å; Y83-Y383 VanDerWaalsContact OH-CA 3.3Å; Y83-Y383 WeakPolarHBondContact OH-CA 3.43Å; Y83-Y383 WeakPolarHBondContact OH-CB 3.08Å; Y83-G384 PolarHBondContact OH-N 2.91Å; Y83-E386 WeakPolarHBondContact CE2-OE1 3.46Å; Y83-E386 VanDerWaalsContact OH-CD 3.32Å; Y83-E386 PolarHBondContact OH-OE1 3.26Å; Y83-E386 PolarHBondContact OH-OE2 3.4Å; Y83-F401 WeakPolarHBondContact OH-CE2 3.49Å
84	Q	98.8	Very high	97.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.5	179	176.4	173.1	28.7	0	0	110.5	Y155 N157 H349 V381 Y382 Y383	Q84-Y155 CarbonylContact C-O 3.34Å; Q84-Y155 VanDerWaalsContact CA-O 3.27Å; Q84-Y155 WeakPolarHBondContact CA-O 3.21Å; Q84-Y155 HydrophobicContact CB-CD1 3.83Å; Q84-Y155 HydrophobicContact CB-CE1 4.47Å; Q84-Y155 HydrophobicContact CB-CG 4.32Å; Q84-Y155 VanDerWaalsContact CD-CE1 3.45Å; Q84-Y155 HydrophobicContact CG-CD1 3.72Å; Q84-Y155 HydrophobicContact CG-CE1 3.95Å; Q84-Y155 HydrophobicContact CG-CG 4.2Å; Q84-Y155 VanDerWaalsContact NE2-CZ 3.33Å; Q84-Y155 PolarHBondContact NE2-OH 3.48Å; Q84-N157 WeakPolarHBondContact CG-OD1 3.31Å; Q84-N157 PolarHBondContact NE2-OD1 3.23Å; Q84-H349 PolarHBondContact NE2-CE1 3.04Å; Q84-H349 PolarHBondContact NE2-ND1 2.95Å; Q84-V381 PolarHBondContact N-O 2.87Å; Q84-Y382 HydrophobicContact CB-CD2 4.07Å; Q84-Y382 HydrophobicContact CG-CD2 3.82Å; Q84-Y382 HydrophobicContact CG-CE2 4.25Å; Q84-Y383 WeakPolarHBondContact O-CB 3.44Å; Q84-Y383 PolarHBondContact O-N 2.82Å
85	I	98.8	Very high	97.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.2	180	-65.4	-175.9	0	0	0	109.8	Y83 P87 F90 I139 L154 Y155 L156 N157	Y83-I85 HydrophobicContact CD1-CD1 3.97Å; Y83-I85 HydrophobicContact CD1-CG1 3.53Å; Y83-I85 HydrophobicContact CE1-CD1 4.2Å; Y83-I85 HydrophobicContact CE1-CG1 3.75Å; I85-P87 VanDerWaalsContact O-CD 3.29Å; I85-P87 WeakPolarHBondContact O-CD 3.35Å; I85-F90 HydrophobicContact CD1-CD1 4.03Å; I85-F90 HydrophobicContact CD1-CE1 3.89Å; I85-F90 HydrophobicContact CD1-CE2 4.42Å; I85-F90 HydrophobicContact CD1-CG 4.31Å; I85-F90 HydrophobicContact CD1-CZ 4.1Å; I85-F90 HydrophobicContact CG1-CD2 4.46Å; I85-F90 HydrophobicContact CG2-CB 3.65Å; I85-F90 HydrophobicContact CG2-CD1 4.25Å; I85-F90 HydrophobicContact CG2-CD2 4.43Å; I85-F90 HydrophobicContact CG2-CG 3.87Å; I85-I139 HydrophobicContact CD1-CG2 4.12Å; I85-I139 HydrophobicContact CG2-CD1 4.16Å; I85-I139 HydrophobicContact CG2-CG1 4.43Å; I85-L154 HydrophobicContact CD1-CD1 4.01Å; I85-L154 HydrophobicContact CD1-CD2 3.9Å; I85-L154 HydrophobicContact CG1-CD2 4.48Å; I85-Y155 PolarHBondContact N-O 3.1Å; I85-L156 HydrophobicContact CB-CD2 3.84Å; I85-L156 HydrophobicContact CD1-CD2 4.39Å; I85-L156 HydrophobicContact CG2-CD2 4.2Å; I85-N157 PolarHBondContact O-N 3.35Å; I85-N157 PolarHBondContact O-OD1 3.13Å
86	F	98.5	Very high	96.9	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	12%	0.117	C	C	.	.			trans	-87.3	105.1	159.3	-164.6	-57.9	0	0	0	108.3	D88 R89 F90 N165 H166 H349 Y383 R398	F86-D88 HydrophobicContact CD1-CB 4.22Å; F86-D88 HydrophobicContact CE1-CB 3.99Å; F86-D88 PolarHBondContact O-N 2.92Å; F86-R89 HydrophobicContact CB-CB 4.28Å; F86-R89 HydrophobicContact CB-CG 4.39Å; F86-R89 HydrophobicContact CD1-CB 4.1Å; F86-R89 HydrophobicContact CD1-CG 3.49Å; F86-R89 VanDerWaalsContact CD1-CG 3.49Å; F86-R89 HydrophobicContact CE1-CG 3.81Å; F86-R89 HydrophobicContact CG-CB 4.39Å; F86-R89 HydrophobicContact CG-CG 3.96Å; F86-R89 PolarHBondContact O-N 3.41Å; F86-F90 PolarHBondContact O-N 3.25Å; F86-N165 WeakPolarHBondContact CE1-O 3.47Å; F86-H166 HydrophobicContact CE2-CB 3.79Å; F86-H166 HydrophobicContact CZ-CB 3.53Å; F86-H349 HydrophobicContact CD2-CB 4.42Å; F86-Y383 HydrophobicContact CB-CD1 4.05Å; F86-Y383 HydrophobicContact CB-CE1 3.35Å; F86-R398 HydrophobicContact CD2-CG 4.04Å; F86-R398 HydrophobicContact CE2-CB 4.41Å; F86-R398 HydrophobicContact CE2-CG 3.86Å
87	P	98.6	Very high	96.5	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-57.5	-44.7	-164.5	-30	37.7	0	0	0	114.8	I85 R89 F90 G134 I139 I159 L180	I85-P87 VanDerWaalsContact O-CD 3.29Å; I85-P87 WeakPolarHBondContact O-CD 3.35Å; P87-R89 PolarHBondContact O-N 3.27Å; P87-R89 VanDerWaalsContact O-N 3.16Å; P87-F90 PolarHBondContact O-N 3.17Å; P87-G134 CarbonylContact O-C 3.2Å; P87-G134 VanDerWaalsContact O-CA 3.3Å; P87-G134 WeakPolarHBondContact O-CA 3.29Å; P87-I139 HydrophobicContact CB-CD1 4.2Å; P87-I159 HydrophobicContact CG-CG2 4.2Å; P87-L180 HydrophobicContact CB-CD1 3.99Å; P87-L180 HydrophobicContact CB-CD2 3.6Å; P87-L180 HydrophobicContact CB-CG 4.45Å; P87-L180 HydrophobicContact CG-CD1 4.4Å
88	D	97.8	Very high	96.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-22.9	179.7	-175.8	73.7	0	0	0	113.4	F86 F131 F132 G133 G134	F86-D88 HydrophobicContact CD1-CB 4.22Å; F86-D88 HydrophobicContact CE1-CB 3.99Å; F86-D88 PolarHBondContact O-N 2.92Å; D88-F131 WeakPolarHBondContact OD1-CD1 3.44Å; D88-F132 PolarHBondContact OD2-N 3.26Å; D88-G133 WeakPolarHBondContact OD1-CA 3.19Å; D88-G133 PolarHBondContact OD1-N 3.09Å; D88-G134 WeakPolarHBondContact O-CA 3.14Å; D88-G134 PolarHBondContact O-N 3.4Å
89	R	97.7	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-104.7	-3.3	-172.4	-54.5	-56	-156	-138	9.4	113.2	F86 P87 D130 F132 N165 Y383 R398 F400 F401	F86-R89 HydrophobicContact CB-CB 4.28Å; F86-R89 HydrophobicContact CB-CG 4.39Å; F86-R89 HydrophobicContact CD1-CB 4.1Å; F86-R89 HydrophobicContact CD1-CG 3.49Å; F86-R89 VanDerWaalsContact CD1-CG 3.49Å; F86-R89 HydrophobicContact CE1-CG 3.81Å; F86-R89 HydrophobicContact CG-CB 4.39Å; F86-R89 HydrophobicContact CG-CG 3.96Å; F86-R89 PolarHBondContact O-N 3.41Å; P87-R89 PolarHBondContact O-N 3.27Å; P87-R89 VanDerWaalsContact O-N 3.16Å; R89-D130 IonicContact CZ-OD1 2.92Å; R89-D130 IonicContact CZ-OD2 3.27Å; R89-D130 PolarHBondContact NH1-O 2.93Å; R89-D130 IonicContact NH1-OD1 2.83Å; R89-D130 IonicContact NH1-OD2 3.97Å; R89-D130 IonicContact NH2-OD1 2.71Å; R89-D130 PolarHBondContact NH2-OD1 2.84Å; R89-D130 IonicContact NH2-OD2 2.71Å; R89-D130 PolarHBondContact NH2-OD2 3.04Å; R89-F132 VanDerWaalsContact CD-CD2 3.44Å; R89-N165 PolarHBondContact NH2-ND2 2.88Å; R89-Y383 HydrophobicContact CB-CE2 3.99Å; R89-Y383 WeakPolarHBondContact CB-OH 3.37Å; R89-R398 VanDerWaalsContact CD-O 3.3Å; R89-R398 WeakPolarHBondContact CD-O 3.35Å; R89-R398 WeakPolarHBondContact CG-O 3.42Å; R89-R398 PolarHBondContact NE-O 2.89Å; R89-F400 CarbonylContact O-C 3.52Å; R89-F400 VanDerWaalsContact O-CA 3.27Å; R89-F400 WeakPolarHBondContact O-CA 3.3Å; R89-F400 VanDerWaalsContact O-CD2 3.29Å; R89-F400 WeakPolarHBondContact O-CD2 3.43Å; R89-F401 PolarHBondContact O-N 2.88Å
90	F	98.4	Very high	96.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-90	-65.2	-172.7	-172.6	-114	0	0	0	112.7	Y83 I85 F86 P87 I139 K142 L146 Y383 F401 W403	Y83-F90 HydrophobicContact CE1-CD2 4.49Å; Y83-F90 AromaticContact CE1-CE2 3.74Å; Y83-F90 HydrophobicContact CE1-CE2 3.74Å; Y83-F90 HydrophobicContact CE1-CZ 4.19Å; I85-F90 HydrophobicContact CD1-CD1 4.03Å; I85-F90 HydrophobicContact CD1-CE1 3.89Å; I85-F90 HydrophobicContact CD1-CE2 4.42Å; I85-F90 HydrophobicContact CD1-CG 4.31Å; I85-F90 HydrophobicContact CD1-CZ 4.1Å; I85-F90 HydrophobicContact CG1-CD2 4.46Å; I85-F90 HydrophobicContact CG2-CB 3.65Å; I85-F90 HydrophobicContact CG2-CD1 4.25Å; I85-F90 HydrophobicContact CG2-CD2 4.43Å; I85-F90 HydrophobicContact CG2-CG 3.87Å; F86-F90 PolarHBondContact O-N 3.25Å; P87-F90 PolarHBondContact O-N 3.17Å; F90-I139 HydrophobicContact CD1-CB 4.5Å; F90-I139 HydrophobicContact CD1-CG1 3.93Å; F90-K142 HydrophobicContact CE1-CB 3.81Å; F90-K142 HydrophobicContact CE1-CG 4.18Å; F90-K142 HydrophobicContact CZ-CB 4.27Å; F90-L146 HydrophobicContact CZ-CD2 4.25Å; F90-Y383 HydrophobicContact CD2-CD2 4.11Å; F90-Y383 HydrophobicContact CD2-CG 4.33Å; F90-F401 HydrophobicContact CD2-CB 4.31Å; F90-F401 HydrophobicContact CD2-CD2 4.07Å; F90-F401 HydrophobicContact CD2-CG 4.37Å; F90-F401 AromaticContact CE2-CD2 3.94Å; F90-F401 HydrophobicContact CE2-CD2 3.94Å; F90-F401 HydrophobicContact CE2-CE2 4.31Å; F90-F401 HydrophobicContact CE2-CG 4.43Å; F90-F401 WeakPolarHBondContact O-CB 3.49Å; F90-W403 HydrophobicContact CD1-CZ2 4.39Å; F90-W403 HydrophobicContact CD2-CZ2 4.29Å; F90-W403 HydrophobicContact CE1-CH2 4.36Å; F90-W403 AromaticContact CE1-CZ2 4Å; F90-W403 HydrophobicContact CE1-CZ2 4Å; F90-W403 HydrophobicContact CE2-CH2 4.17Å; F90-W403 AromaticContact CE2-CZ2 3.85Å; F90-W403 HydrophobicContact CE2-CZ2 3.85Å; F90-W403 AromaticContact CZ-CH2 3.82Å; F90-W403 HydrophobicContact CZ-CH2 3.82Å; F90-W403 AromaticContact CZ-CZ2 3.71Å; F90-W403 HydrophobicContact CZ-CZ2 3.71Å; F90-W403 PolarHBondContact O-NE1 3.1Å
91	A	98.2	Very high	96.2	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.033	18%	0.184	C	C	.	.			trans	-157.3	138.4	-179	0	0	0	0	0	111	G134 N135 G138 K142 W403	A91-G134 CarbonylContact O-C 3.52Å; A91-G134 WeakPolarHBondContact O-CA 3.47Å; A91-N135 PolarHBondContact O-N 3.32Å; A91-G138 WeakPolarHBondContact CB-O 3.29Å; A91-G138 WeakPolarHBondContact O-CA 3.28Å; A91-K142 HydrophobicContact CB-CG 3.96Å; A91-W403 HydrophobicContact CB-CZ2 4.16Å
92	N	97.4	Very high	95.9	Very high	19 Å²	19	38.5 Å²	38.5	10%	0.102	21%	0.21	C	C	.	.			trans	-102.8	112.3	170.6	-175.2	-21.4	0	0	0	109.2	N94 R97 V98 G133 N135	N92-N94 VanDerWaalsContact OD1-CB 3.26Å; N92-N94 WeakPolarHBondContact OD1-CB 3.24Å; N92-N94 PolarHBondContact OD1-N 2.64Å; N92-R97 VanDerWaalsContact ND2-C 3.28Å; N92-R97 PolarHBondContact ND2-O 2.79Å; N92-V98 PolarHBondContact ND2-O 3.04Å; N92-G133 WeakPolarHBondContact CB-O 3.38Å; N92-G133 PolarHBondContact ND2-O 2.88Å; N92-N135 PolarHBondContact OD1-ND2 2.89Å
93	G	97.2	Very high	95.5	Very high	15 Å²	15	40.6 Å²	40.6	16%	0.155	22%	0.219	C	C	.	.			trans	-86.8	1.2	-178.9	0	0	0	0	0	114.8	N135 K137 G138	G93-N135 PolarHBondContact N-OD1 3.25Å; G93-K137 WeakPolarHBondContact O-CD 3.43Å; G93-K137 WeakPolarHBondContact O-CE 3.45Å; G93-G138 VanDerWaalsContact N-CA 3.34Å
94	N	96.5	Very high	95	Very high	26 Å²	26	50 Å²	50	14%	0.139	26%	0.26	C	S	.	.	S	Bend	trans	-77.6	147.8	-178.1	-69.2	-22.5	0	0	0	112	N92 N96 R97 V98 N100 N135	N92-N94 VanDerWaalsContact OD1-CB 3.26Å; N92-N94 WeakPolarHBondContact OD1-CB 3.24Å; N92-N94 PolarHBondContact OD1-N 2.64Å; N94-N96 PolarHBondContact O-N 2.97Å; N94-R97 PolarHBondContact O-N 3.01Å; N94-V98 WeakPolarHBondContact CB-O 3.48Å; N94-V98 PolarHBondContact ND2-O 2.96Å; N94-N100 PolarHBondContact ND2-ND2 2.87Å; N94-N100 PolarHBondContact ND2-OD1 2.79Å; N94-N135 PolarHBondContact ND2-ND2 3.12Å
95	P	93.6	Very high	94.4	Very high	102 Å²	102	55.7 Å²	55.7	66%	0.662	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-53.5	136.5	169.4	-24.3	34.2	0	0	0	111.3	R97 V98	P95-R97 PolarHBondContact O-N 3.17Å; P95-V98 PolarHBondContact O-N 3.15Å
96	N	89.8	Confident	94.1	Very high	158 Å²	158	57.1 Å²	57.1	85%	0.845	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	54.8	19.2	-176.7	-52.4	-39.3	0	0	0	114.5	N94 V98	N94-N96 PolarHBondContact O-N 2.97Å; N96-V98 HydrophobicContact CB-CG2 4.34Å; N96-V98 PolarHBondContact O-N 3.05Å
97	R	88.4	Confident	93.9	Very high	118 Å²	118	59.6 Å²	59.6	45%	0.445	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	55.5	31.7	178.7	-48.1	177.5	-167.9	-159.6	-7.6	113.4	N92 N94 P95 I99 E112	N92-R97 VanDerWaalsContact ND2-C 3.28Å; N92-R97 PolarHBondContact ND2-O 2.79Å; N94-R97 PolarHBondContact O-N 3.01Å; P95-R97 PolarHBondContact O-N 3.17Å; R97-I99 PolarHBondContact O-N 3.38Å; R97-E112 WeakPolarHBondContact CD-OE1 3.49Å; R97-E112 IonicContact CZ-OE1 2.91Å; R97-E112 IonicContact CZ-OE2 2.84Å; R97-E112 IonicContact NE-OE1 3.04Å; R97-E112 IonicContact NH1-OE1 3.65Å; R97-E112 PolarHBondContact NH1-OE1 2.84Å; R97-E112 IonicContact NH1-OE2 3.65Å; R97-E112 PolarHBondContact NH1-OE2 3.41Å
98	V	92.9	Very high	93.6	Very high	90 Å²	90	64.5 Å²	64.5	55%	0.545	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-62.1	134.4	176.4	176.6	0	0	0	0	108.9	N92 N94 P95 N96	N92-V98 PolarHBondContact ND2-O 3.04Å; N94-V98 WeakPolarHBondContact CB-O 3.48Å; N94-V98 PolarHBondContact ND2-O 2.96Å; P95-V98 PolarHBondContact O-N 3.15Å; N96-V98 HydrophobicContact CB-CG2 4.34Å; N96-V98 PolarHBondContact O-N 3.05Å
99	I	94	Very high	93.3	Very high	19 Å²	19	66.7 Å²	66.7	10%	0.097	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-80	130.7	175.4	-54.2	-161.6	0	0	0	109	R97 P102 I108 F131 I179	R97-I99 PolarHBondContact O-N 3.38Å; I99-P102 HydrophobicContact CB-CG 4.37Å; I99-P102 HydrophobicContact CG2-CG 4.49Å; I99-I108 HydrophobicContact CD1-CB 3.96Å; I99-I108 HydrophobicContact CD1-CG2 3.48Å; I99-I108 VanDerWaalsContact CD1-CG2 3.48Å; I99-I108 HydrophobicContact CG1-CG2 4.49Å; I99-F131 HydrophobicContact CD1-CB 4.16Å; I99-I179 HydrophobicContact CG2-CG2 3.84Å
100	N	95.4	Very high	92.9	Very high	36 Å²	36	71.9 Å²	71.9	19%	0.193	39%	0.388	C	S	.	.	S	Bend	trans	-67	134.6	174.8	-62.9	-37.8	0	0	0	110	N94 S178 I179	N94-N100 PolarHBondContact ND2-ND2 2.87Å; N94-N100 PolarHBondContact ND2-OD1 2.79Å; N100-S178 VanDerWaalsContact CB-O 3.26Å; N100-S178 WeakPolarHBondContact CB-O 3.27Å; N100-I179 WeakPolarHBondContact CB-O 3.38Å; N100-I179 PolarHBondContact ND2-O 3.36Å; N100-I179 WeakPolarHBondContact O-CA 3.4Å; N100-I179 WeakPolarHBondContact O-CG1 3.5Å
101	Q	93.8	Very high	92.6	Very high	134 Å²	134	74.1 Å²	74.1	63%	0.626	40%	0.401	S	S	*	.	S	Bend	trans	36.9	63.8	171.8	-58.5	-169.9	59.6	0	0	114.8	K103	Q101-K103 PolarHBondContact O-N 2.77Å
102	P	91.3	Very high	92.3	Very high	85 Å²	85	75.3 Å²	75.3	55%	0.552	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-54.4	137	-178.2	-24.3	34	0	0	0	112.1	I99	I99-P102 HydrophobicContact CB-CG 4.37Å; I99-P102 HydrophobicContact CG2-CG 4.49Å
103	K	89.7	Confident	92.1	Very high	45 Å²	45	79.8 Å²	79.8	20%	0.196	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-77.4	158.4	-177	-71.1	171.1	-171.2	175.1	0	111.6	Q101 S106 F131 A162 D177 I179	Q101-K103 PolarHBondContact O-N 2.77Å; K103-S106 PolarHBondContact O-OG 3.39Å; K103-F131 HydrophobicContact CD-CE2 4.36Å; K103-F131 HydrophobicContact CD-CZ 3.84Å; K103-A162 VanDerWaalsContact CE-O 3.28Å; K103-A162 WeakPolarHBondContact CE-O 3.27Å; K103-A162 PolarHBondContact NZ-O 2.66Å; K103-D177 WeakPolarHBondContact CE-OD2 3.44Å; K103-D177 IonicContact NZ-OD1 2.66Å; K103-D177 PolarHBondContact NZ-OD1 2.91Å; K103-D177 IonicContact NZ-OD2 3.49Å; K103-D177 PolarHBondContact NZ-OD2 3.4Å; K103-I179 HydrophobicContact CD-CD1 3.76Å; K103-I179 HydrophobicContact CG-CD1 3.89Å
104	K	88	Confident	92	Very high	198 Å²	198	82 Å²	82	86%	0.861	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	150.1	170.6	-67.4	-177.6	-179.8	177.5	0	109.6	S106	K104-S106 PolarHBondContact O-N 3.41Å
105	N	87.2	Confident	91.9	Very high	119 Å²	119	86.8 Å²	86.8	64%	0.636	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	31.3	179.9	-62	-36.8	0	0	0	114	R128	N105-R128 VanDerWaalsContact O-CA 3.28Å; N105-R128 WeakPolarHBondContact O-CA 3.46Å; N105-R128 WeakPolarHBondContact O-CB 3.28Å; N105-R128 VanDerWaalsContact O-CG 3.28Å; N105-R128 WeakPolarHBondContact O-CG 3.14Å
106	S	91.9	Very high	92.1	Very high	30 Å²	30	82.3 Å²	82.3	21%	0.21	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	170.2	170.4	66	0	0	0	0	110.8	K103 K104 W129	K103-S106 PolarHBondContact O-OG 3.39Å; K104-S106 PolarHBondContact O-N 3.41Å; S106-W129 WeakPolarHBondContact CA-O 3.43Å; S106-W129 WeakPolarHBondContact CB-O 3.47Å
107	F	93.4	Very high	92.3	Very high	52 Å²	52	80.7 Å²	80.7	23%	0.228	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	161.5	172.6	62.2	-81.9	0	0	0	111	F117 I119 R128 W129 D130 F131	F107-F117 HydrophobicContact CZ-CB 4.47Å; F107-F117 HydrophobicContact CZ-CD1 4.19Å; F107-F117 WeakPolarHBondContact CZ-O 3.19Å; F107-I119 HydrophobicContact CD1-CD1 3.77Å; F107-I119 HydrophobicContact CD1-CG1 4.4Å; F107-I119 HydrophobicContact CE1-CD1 3.51Å; F107-I119 HydrophobicContact CE1-CG1 3.64Å; F107-I119 HydrophobicContact CZ-CD1 4.16Å; F107-I119 HydrophobicContact CZ-CG1 4.06Å; F107-R128 HydrophobicContact CD1-CB 4.2Å; F107-R128 HydrophobicContact CE1-CB 4.29Å; F107-W129 PolarHBondContact N-O 3.43Å; F107-W129 VanDerWaalsContact N-O 3.1Å; F107-D130 HydrophobicContact CD2-CB 4.19Å; F107-D130 HydrophobicContact CE1-CB 4.09Å; F107-D130 HydrophobicContact CE2-CB 3.62Å; F107-D130 HydrophobicContact CZ-CB 3.59Å; F107-D130 WeakPolarHBondContact O-CA 3.28Å; F107-F131 PolarHBondContact O-N 2.84Å
108	I	92.1	Very high	92.5	Very high	104 Å²	104	75.6 Å²	75.6	53%	0.533	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148	-173.3	67.2	177.6	0	0	0	108.5	I99	I99-I108 HydrophobicContact CD1-CB 3.96Å; I99-I108 HydrophobicContact CD1-CG2 3.48Å; I99-I108 VanDerWaalsContact CD1-CG2 3.48Å; I99-I108 HydrophobicContact CG1-CG2 4.49Å
109	Y	92.3	Very high	92.6	Very high	46 Å²	46	73.9 Å²	73.9	18%	0.18	38%	0.381	C	S	.	.			trans	-82.4	148.4	178.7	-70	-81.4	0	0	0	112.1	T111 D114 E115 P116 F117 D130 F132	Y109-T111 VanDerWaalsContact C-N 3.28Å; Y109-T111 VanDerWaalsContact CB-O 3.3Å; Y109-T111 WeakPolarHBondContact CB-O 3.5Å; Y109-D114 HydrophobicContact CD1-CB 3.28Å; Y109-D114 WeakPolarHBondContact CD1-OD2 3.39Å; Y109-D114 HydrophobicContact CE1-CB 3.71Å; Y109-D114 HydrophobicContact CG-CB 3.98Å; Y109-E115 WeakPolarHBondContact CE1-O 3.1Å; Y109-E115 PolarHBondContact OH-O 3Å; Y109-P116 VanDerWaalsContact OH-C 3.29Å; Y109-P116 VanDerWaalsContact OH-CA 3.28Å; Y109-P116 WeakPolarHBondContact OH-CA 3.1Å; Y109-F117 WeakPolarHBondContact OH-CB 3.46Å; Y109-F117 PolarHBondContact OH-N 3.16Å; Y109-D130 HydrophobicContact CE2-CB 3.58Å; Y109-D130 VanDerWaalsContact CE2-OD2 3.26Å; Y109-D130 WeakPolarHBondContact CE2-OD2 3.3Å; Y109-D130 PolarHBondContact OH-OD2 2.95Å; Y109-D130 VanDerWaalsContact OH-OD2 3.08Å; Y109-F132 AromaticContact CD2-CD1 3.93Å; Y109-F132 HydrophobicContact CD2-CD1 3.93Å; Y109-F132 AromaticContact CD2-CD2 3.94Å; Y109-F132 HydrophobicContact CD2-CD2 3.94Å; Y109-F132 AromaticContact CD2-CE1 3.59Å; Y109-F132 HydrophobicContact CD2-CE1 3.59Å; Y109-F132 AromaticContact CD2-CE2 3.59Å; Y109-F132 HydrophobicContact CD2-CE2 3.59Å; Y109-F132 HydrophobicContact CD2-CG 4.1Å; Y109-F132 AromaticContact CD2-CZ 3.41Å; Y109-F132 HydrophobicContact CD2-CZ 3.41Å; Y109-F132 VanDerWaalsContact CD2-CZ 3.41Å; Y109-F132 HydrophobicContact CE2-CD2 4.05Å; Y109-F132 HydrophobicContact CE2-CE1 4.14Å; Y109-F132 AromaticContact CE2-CE2 3.4Å; Y109-F132 HydrophobicContact CE2-CE2 3.4Å; Y109-F132 VanDerWaalsContact CE2-CE2 3.4Å; Y109-F132 AromaticContact CE2-CZ 3.46Å; Y109-F132 HydrophobicContact CE2-CZ 3.46Å; Y109-F132 VanDerWaalsContact CE2-CZ 3.46Å; Y109-F132 HydrophobicContact CG-CD1 4.4Å; Y109-F132 AromaticContact CG-CE1 3.89Å; Y109-F132 HydrophobicContact CG-CE1 3.89Å; Y109-F132 AromaticContact CG-CZ 3.99Å; Y109-F132 HydrophobicContact CG-CZ 3.99Å
110	A	89.6	Confident	92.7	Very high	109 Å²	109	77.6 Å²	77.6	90%	0.901	40%	0.397	S	S	*	.	S	Bend	trans	-72.6	-30.1	171.3	0	0	0	0	0	110.8
111	T	91.4	Very high	92.6	Very high	47 Å²	47	78.2 Å²	78.2	29%	0.288	40%	0.4	S	S	.	.			trans	-140.6	156.6	176.7	-160	0	0	0	0	113.4	Y109 E113	Y109-T111 VanDerWaalsContact C-N 3.28Å; Y109-T111 VanDerWaalsContact CB-O 3.3Å; Y109-T111 WeakPolarHBondContact CB-O 3.5Å; T111-E113 WeakPolarHBondContact CB-OE2 3.39Å; T111-E113 HydrophobicContact CG2-CB 4.28Å; T111-E113 WeakPolarHBondContact CG2-OE2 3.3Å; T111-E113 PolarHBondContact O-N 3.17Å; T111-E113 PolarHBondContact OG1-OE2 3.48Å
112	E	92.9	Very high	92.6	Very high	30 Å²	30	81.7 Å²	81.7	14%	0.14	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-14.8	178.7	-74	170	-176	0	0	113.1	R97 D114 F400	R97-E112 WeakPolarHBondContact CD-OE1 3.49Å; R97-E112 IonicContact CZ-OE1 2.91Å; R97-E112 IonicContact CZ-OE2 2.84Å; R97-E112 IonicContact NE-OE1 3.04Å; R97-E112 IonicContact NH1-OE1 3.65Å; R97-E112 PolarHBondContact NH1-OE1 2.84Å; R97-E112 IonicContact NH1-OE2 3.65Å; R97-E112 PolarHBondContact NH1-OE2 3.41Å; E112-D114 VanDerWaalsContact C-N 3.29Å; E112-F400 HydrophobicContact CB-CB 4.4Å; E112-F400 HydrophobicContact CB-CD1 3.56Å; E112-F400 HydrophobicContact CB-CE1 4.02Å; E112-F400 HydrophobicContact CB-CG 4.09Å; E112-F400 HydrophobicContact CG-CD1 3.53Å; E112-F400 HydrophobicContact CG-CE1 3.51Å; E112-F400 HydrophobicContact CG-CE2 4.49Å; E112-F400 HydrophobicContact CG-CG 4.04Å; E112-F400 HydrophobicContact CG-CZ 4Å; E112-F400 WeakPolarHBondContact O-CB 3.42Å; E112-F400 WeakPolarHBondContact OE1-CE1 3.09Å; E112-F400 WeakPolarHBondContact OE2-CE1 3.41Å
113	E	92.9	Very high	92.8	Very high	112 Å²	112	83.2 Å²	83.2	52%	0.523	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.4	178.7	-56.4	91.3	-161.9	0	0	113.3	T111 K404	T111-E113 WeakPolarHBondContact CB-OE2 3.39Å; T111-E113 HydrophobicContact CG2-CB 4.28Å; T111-E113 WeakPolarHBondContact CG2-OE2 3.3Å; T111-E113 PolarHBondContact O-N 3.17Å; T111-E113 PolarHBondContact OG1-OE2 3.48Å; E113-K404 IonicContact OE1-NZ 3.93Å; E113-K404 PolarHBondContact OE1-NZ 3.11Å
114	D	94.7	Very high	92.8	Very high	63 Å²	63	85.4 Å²	85.4	34%	0.337	43%	0.427	S	S	.	.	S	Bend	trans	-70.2	151.6	177.3	-74.2	-34.8	0	0	0	111.8	Y109 E112 F132	Y109-D114 HydrophobicContact CD1-CB 3.28Å; Y109-D114 WeakPolarHBondContact CD1-OD2 3.39Å; Y109-D114 HydrophobicContact CE1-CB 3.71Å; Y109-D114 HydrophobicContact CG-CB 3.98Å; E112-D114 VanDerWaalsContact C-N 3.29Å; D114-F132 WeakPolarHBondContact O-CZ 3.45Å
115	E	95.1	Very high	92.9	Very high	125 Å²	125	81.3 Å²	81.3	58%	0.584	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-81.5	136.3	177.3	-61.6	-166.6	140.1	0	0	111.7	Y109 K399	Y109-E115 WeakPolarHBondContact CE1-O 3.1Å; Y109-E115 PolarHBondContact OH-O 3Å; E115-K399 IonicContact OE1-NZ 3.55Å; E115-K399 PolarHBondContact OE1-NZ 3.03Å
116	P	96.6	Very high	93.1	Very high	9 Å²	9	78.2 Å²	78.2	6%	0.058	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-53.8	139.9	173.7	-27.3	35	0	0	0	112.7	Y109 D130 F132 P395 R398 K399	Y109-P116 VanDerWaalsContact OH-C 3.29Å; Y109-P116 VanDerWaalsContact OH-CA 3.28Å; Y109-P116 WeakPolarHBondContact OH-CA 3.1Å; P116-D130 WeakPolarHBondContact CA-OD2 3.42Å; P116-F132 HydrophobicContact CG-CE2 4.14Å; P116-F132 HydrophobicContact CG-CZ 4.47Å; P116-P395 HydrophobicContact CB-CB 3.81Å; P116-P395 HydrophobicContact CB-CG 4.41Å; P116-P395 WeakPolarHBondContact CB-O 3.24Å; P116-R398 VanDerWaalsContact CG-C 3.5Å; P116-R398 WeakPolarHBondContact CG-O 3.3Å; P116-K399 HydrophobicContact CG-CB 4.38Å; P116-K399 HydrophobicContact CG-CG 4.1Å
117	F	94.8	Very high	93.1	Very high	124 Å²	124	80.1 Å²	80.1	54%	0.544	40%	0.404	S	S	.	.			trans	-149	134.4	-174	-170	-99.1	0	0	0	110.5	F107 Y109 I119 D130	F107-F117 HydrophobicContact CZ-CB 4.47Å; F107-F117 HydrophobicContact CZ-CD1 4.19Å; F107-F117 WeakPolarHBondContact CZ-O 3.19Å; Y109-F117 WeakPolarHBondContact OH-CB 3.46Å; Y109-F117 PolarHBondContact OH-N 3.16Å; F117-I119 HydrophobicContact CD1-CG1 4.21Å; F117-I119 HydrophobicContact CE1-CG1 4.02Å; F117-D130 PolarHBondContact N-OD2 2.66Å; F117-D130 VanDerWaalsContact N-OD2 3.16Å; F117-D130 WeakPolarHBondContact O-CB 3.36Å; F117-D130 VanDerWaalsContact O-CG 3.29Å
118	Y	93.8	Very high	93.1	Very high	11 Å²	11	83.3 Å²	83.3	4%	0.043	41%	0.414	C	S	.	.			trans	-110.2	127.4	173.9	-57.6	-23	0	0	0	109.6	K120 I126 W129 D130 N165 D394 P395	Y118-K120 PolarHBondContact O-N 2.81Å; Y118-I126 HydrophobicContact CD2-CD1 3.43Å; Y118-I126 VanDerWaalsContact CD2-CD1 3.43Å; Y118-I126 HydrophobicContact CD2-CG1 4.17Å; Y118-I126 HydrophobicContact CE2-CD1 4.02Å; Y118-I126 HydrophobicContact CG-CD1 4.05Å; Y118-I126 HydrophobicContact CG-CG1 4.43Å; Y118-I126 HydrophobicContact CG-CG2 4.44Å; Y118-W129 AromaticContact CD1-CE3 3.97Å; Y118-W129 HydrophobicContact CD1-CE3 3.97Å; Y118-W129 HydrophobicContact CD1-CZ3 4.15Å; Y118-W129 HydrophobicContact CD2-CZ3 4.07Å; Y118-W129 AromaticContact CE1-CE3 3.92Å; Y118-W129 HydrophobicContact CE1-CE3 3.92Å; Y118-W129 AromaticContact CE1-CZ3 3.96Å; Y118-W129 HydrophobicContact CE1-CZ3 3.96Å; Y118-W129 AromaticContact CE2-CZ3 3.82Å; Y118-W129 HydrophobicContact CE2-CZ3 3.82Å; Y118-W129 HydrophobicContact CG-CE3 4.36Å; Y118-W129 HydrophobicContact CG-CZ3 4.23Å; Y118-W129 AromaticContact CZ-CZ3 3.77Å; Y118-D130 WeakPolarHBondContact CE1-OD1 3.35Å; Y118-N165 VanDerWaalsContact CE1-ND2 3.31Å; Y118-N165 WeakPolarHBondContact CE1-ND2 3.44Å; Y118-D394 WeakPolarHBondContact CE2-OD1 3.19Å; Y118-D394 VanDerWaalsContact CZ-OD1 3.27Å; Y118-D394 PolarHBondContact OH-OD1 3.1Å; Y118-P395 HydrophobicContact CD1-CB 4.25Å; Y118-P395 HydrophobicContact CD2-CB 4.15Å; Y118-P395 HydrophobicContact CD2-CG 4.3Å; Y118-P395 HydrophobicContact CE1-CB 3.74Å; Y118-P395 HydrophobicContact CE2-CB 3.68Å; Y118-P395 HydrophobicContact CE2-CG 4.29Å; Y118-P395 HydrophobicContact CG-CB 4.43Å; Y118-P395 HydrophobicContact CG-CG 4.49Å; Y118-P395 VanDerWaalsContact CZ-CB 3.45Å
119	I	94.8	Very high	93.2	Very high	53 Å²	53	80.5 Å²	80.5	27%	0.272	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.4	172.7	-60.9	171.4	0	0	0	107.8	F107 F117 V127 R128	F107-I119 HydrophobicContact CD1-CD1 3.77Å; F107-I119 HydrophobicContact CD1-CG1 4.4Å; F107-I119 HydrophobicContact CE1-CD1 3.51Å; F107-I119 HydrophobicContact CE1-CG1 3.64Å; F107-I119 HydrophobicContact CZ-CD1 4.16Å; F107-I119 HydrophobicContact CZ-CG1 4.06Å; F117-I119 HydrophobicContact CD1-CG1 4.21Å; F117-I119 HydrophobicContact CE1-CG1 4.02Å; I119-V127 HydrophobicContact CG2-CG2 3.93Å; I119-V127 VanDerWaalsContact O-CG2 3.3Å; I119-V127 WeakPolarHBondContact O-CG2 3.47Å; I119-V127 PolarHBondContact O-N 3.25Å; I119-R128 HydrophobicContact CB-CB 4.03Å; I119-R128 HydrophobicContact CB-CG 4.48Å; I119-R128 HydrophobicContact CD1-CB 4.16Å; I119-R128 HydrophobicContact CG1-CB 4.49Å; I119-R128 PolarHBondContact N-O 3.05Å; I119-R128 PolarHBondContact O-N 2.84Å
120	K	94.4	Very high	93.3	Very high	97 Å²	97	78.3 Å²	78.3	42%	0.422	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	152.1	-179	-57.7	-177.4	-175.7	-178.6	0	112.1	Y118 N124 E125 I126	Y118-K120 PolarHBondContact O-N 2.81Å; K120-N124 WeakPolarHBondContact CD-OD1 3.32Å; K120-E125 CarbonylContact C-O 3.59Å; K120-E125 WeakPolarHBondContact CA-O 3.32Å; K120-E125 WeakPolarHBondContact CB-O 3.13Å; K120-I126 HydrophobicContact CD-CG1 4.45Å; K120-I126 HydrophobicContact CG-CG1 4.07Å
121	N	94.2	Very high	93.6	Very high	50 Å²	50	73.2 Å²	73.2	27%	0.267	35%	0.346	S	S	.	.			trans	-81.8	-171.8	169.6	65.9	9.4	0	0	0	111.6	E123 N124 E125 V127	N121-E123 PolarHBondContact ND2-OE2 3.38Å; N121-E123 PolarHBondContact O-N 3.02Å; N121-E123 WeakPolarHBondContact OD1-CA 3.45Å; N121-E123 WeakPolarHBondContact OD1-CB 3.21Å; N121-E123 PolarHBondContact OD1-N 3.33Å; N121-E123 VanDerWaalsContact OD1-N 3.09Å; N121-E123 PolarHBondContact OD1-OE2 3.15Å; N121-N124 PolarHBondContact O-N 3.03Å; N121-N124 PolarHBondContact OD1-N 2.86Å; N121-N124 VanDerWaalsContact OD1-N 3.13Å; N121-E125 PolarHBondContact N-O 3.37Å; N121-E125 PolarHBondContact ND2-OE2 3.13Å; N121-E125 WeakPolarHBondContact OD1-CB 3.2Å; N121-E125 PolarHBondContact OD1-N 3.41Å; N121-E125 PolarHBondContact OD1-O 3.06Å; N121-V127 HydrophobicContact CB-CG1 3.79Å
122	K	94.5	Very high	93.8	Very high	206 Å²	206	71.8 Å²	71.8	90%	0.896	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.4	-179.3	-65.8	-179.2	-179.1	177.6	0	112.2	N124	K122-N124 PolarHBondContact O-N 3.45Å
123	E	94.1	Very high	94	Very high	117 Å²	117	70.3 Å²	70.3	55%	0.547	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	2.9	177.4	-59.8	70	-154	0	0	112.2	N121 E125	N121-E123 PolarHBondContact ND2-OE2 3.38Å; N121-E123 PolarHBondContact O-N 3.02Å; N121-E123 WeakPolarHBondContact OD1-CA 3.45Å; N121-E123 WeakPolarHBondContact OD1-CB 3.21Å; N121-E123 PolarHBondContact OD1-N 3.33Å; N121-E123 VanDerWaalsContact OD1-N 3.09Å; N121-E123 PolarHBondContact OD1-OE2 3.15Å; E123-E125 HydrophobicContact CB-CG 4.04Å; E123-E125 PolarHBondContact O-N 2.81Å
124	N	90.3	Very high	94.2	Very high	91 Å²	91	65 Å²	65	49%	0.487	30%	0.304	S	S	.	.			trans	64.9	19.1	-178.3	-159.7	42.6	0	0	0	113.8	K120 N121 K122	K120-N124 WeakPolarHBondContact CD-OD1 3.32Å; N121-N124 PolarHBondContact O-N 3.03Å; N121-N124 PolarHBondContact OD1-N 2.86Å; N121-N124 VanDerWaalsContact OD1-N 3.13Å; K122-N124 PolarHBondContact O-N 3.45Å
125	E	90	Very high	94.4	Very high	113 Å²	113	62 Å²	62	53%	0.528	29%	0.288	S	S	.	.			trans	-83.1	139.5	173.2	-53.9	171.6	144.4	0	0	109.3	K120 N121 E123 V127	K120-E125 CarbonylContact C-O 3.59Å; K120-E125 WeakPolarHBondContact CA-O 3.32Å; K120-E125 WeakPolarHBondContact CB-O 3.13Å; N121-E125 PolarHBondContact N-O 3.37Å; N121-E125 PolarHBondContact ND2-OE2 3.13Å; N121-E125 WeakPolarHBondContact OD1-CB 3.2Å; N121-E125 PolarHBondContact OD1-N 3.41Å; N121-E125 PolarHBondContact OD1-O 3.06Å; E123-E125 HydrophobicContact CB-CG 4.04Å; E123-E125 PolarHBondContact O-N 2.81Å; E125-V127 PolarHBondContact O-N 3.42Å
126	I	90.8	Very high	94.6	Very high	53 Å²	53	56.1 Å²	56.1	27%	0.272	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	116.6	178.4	-60.4	166.2	0	0	0	108.2	Y118 K120 W129	Y118-I126 HydrophobicContact CD2-CD1 3.43Å; Y118-I126 VanDerWaalsContact CD2-CD1 3.43Å; Y118-I126 HydrophobicContact CD2-CG1 4.17Å; Y118-I126 HydrophobicContact CE2-CD1 4.02Å; Y118-I126 HydrophobicContact CG-CD1 4.05Å; Y118-I126 HydrophobicContact CG-CG1 4.43Å; Y118-I126 HydrophobicContact CG-CG2 4.44Å; K120-I126 HydrophobicContact CD-CG1 4.45Å; K120-I126 HydrophobicContact CG-CG1 4.07Å; I126-W129 HydrophobicContact CB-CH2 4.16Å; I126-W129 HydrophobicContact CB-CZ2 4.04Å; I126-W129 HydrophobicContact CD1-CE3 4.5Å; I126-W129 HydrophobicContact CD1-CH2 3.29Å; I126-W129 HydrophobicContact CD1-CZ2 4.02Å; I126-W129 HydrophobicContact CD1-CZ3 3.58Å; I126-W129 HydrophobicContact CG1-CH2 4.31Å; I126-W129 HydrophobicContact CG2-CD2 3.72Å; I126-W129 HydrophobicContact CG2-CE3 3.86Å; I126-W129 HydrophobicContact CG2-CG 4.39Å; I126-W129 HydrophobicContact CG2-CH2 3.97Å; I126-W129 HydrophobicContact CG2-CZ2 3.81Å; I126-W129 HydrophobicContact CG2-CZ3 3.98Å
127	V	91.8	Very high	94.7	Very high	70 Å²	70	59.4 Å²	59.4	42%	0.424	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-19.2	-179	-68.1	0	0	0	0	112.9	I119 N121 E125	I119-V127 HydrophobicContact CG2-CG2 3.93Å; I119-V127 VanDerWaalsContact O-CG2 3.3Å; I119-V127 WeakPolarHBondContact O-CG2 3.47Å; I119-V127 PolarHBondContact O-N 3.25Å; N121-V127 HydrophobicContact CB-CG1 3.79Å; E125-V127 PolarHBondContact O-N 3.42Å
128	R	93.6	Very high	94.8	Very high	120 Å²	120	53.5 Å²	53.5	45%	0.453	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	129	172.5	-52.4	-176.3	173.2	140.4	-1	111.3	N105 F107 I119	N105-R128 VanDerWaalsContact O-CA 3.28Å; N105-R128 WeakPolarHBondContact O-CA 3.46Å; N105-R128 WeakPolarHBondContact O-CB 3.28Å; N105-R128 VanDerWaalsContact O-CG 3.28Å; N105-R128 WeakPolarHBondContact O-CG 3.14Å; F107-R128 HydrophobicContact CD1-CB 4.2Å; F107-R128 HydrophobicContact CE1-CB 4.29Å; I119-R128 HydrophobicContact CB-CB 4.03Å; I119-R128 HydrophobicContact CB-CG 4.48Å; I119-R128 HydrophobicContact CD1-CB 4.16Å; I119-R128 HydrophobicContact CG1-CB 4.49Å; I119-R128 PolarHBondContact N-O 3.05Å; I119-R128 PolarHBondContact O-N 2.84Å
129	W	93.8	Very high	95.1	Very high	45 Å²	45	53 Å²	53	17%	0.17	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	144.5	176	-62.3	106.1	0	0	0	111.1	S106 F107 Y118 I126 F131 S164 H166	S106-W129 WeakPolarHBondContact CA-O 3.43Å; S106-W129 WeakPolarHBondContact CB-O 3.47Å; F107-W129 PolarHBondContact N-O 3.43Å; F107-W129 VanDerWaalsContact N-O 3.1Å; Y118-W129 AromaticContact CD1-CE3 3.97Å; Y118-W129 HydrophobicContact CD1-CE3 3.97Å; Y118-W129 HydrophobicContact CD1-CZ3 4.15Å; Y118-W129 HydrophobicContact CD2-CZ3 4.07Å; Y118-W129 AromaticContact CE1-CE3 3.92Å; Y118-W129 HydrophobicContact CE1-CE3 3.92Å; Y118-W129 AromaticContact CE1-CZ3 3.96Å; Y118-W129 HydrophobicContact CE1-CZ3 3.96Å; Y118-W129 AromaticContact CE2-CZ3 3.82Å; Y118-W129 HydrophobicContact CE2-CZ3 3.82Å; Y118-W129 HydrophobicContact CG-CE3 4.36Å; Y118-W129 HydrophobicContact CG-CZ3 4.23Å; Y118-W129 AromaticContact CZ-CZ3 3.77Å; I126-W129 HydrophobicContact CB-CH2 4.16Å; I126-W129 HydrophobicContact CB-CZ2 4.04Å; I126-W129 HydrophobicContact CD1-CE3 4.5Å; I126-W129 HydrophobicContact CD1-CH2 3.29Å; I126-W129 HydrophobicContact CD1-CZ2 4.02Å; I126-W129 HydrophobicContact CD1-CZ3 3.58Å; I126-W129 HydrophobicContact CG1-CH2 4.31Å; I126-W129 HydrophobicContact CG2-CD2 3.72Å; I126-W129 HydrophobicContact CG2-CE3 3.86Å; I126-W129 HydrophobicContact CG2-CG 4.39Å; I126-W129 HydrophobicContact CG2-CH2 3.97Å; I126-W129 HydrophobicContact CG2-CZ2 3.81Å; I126-W129 HydrophobicContact CG2-CZ3 3.98Å; W129-F131 HydrophobicContact CB-CE2 3.8Å; W129-F131 HydrophobicContact CB-CZ 4.31Å; W129-S164 VanDerWaalsContact CE2-CB 3.42Å; W129-H166 AromaticContact CH2-CD2 3.77Å; W129-H166 AromaticContact CH2-NE2 3.15Å; W129-H166 WeakPolarHBondContact CH2-NE2 3.45Å; W129-H166 AromaticContact CZ2-NE2 3.83Å; W129-H166 AromaticContact CZ3-CD2 3.67Å; W129-H166 AromaticContact CZ3-NE2 3.59Å
130	D	95.3	Very high	95.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	149.4	171.2	68.6	-24.3	0	0	0	111.2	R89 F107 Y109 P116 F117 Y118 N165	R89-D130 IonicContact CZ-OD1 2.92Å; R89-D130 IonicContact CZ-OD2 3.27Å; R89-D130 PolarHBondContact NH1-O 2.93Å; R89-D130 IonicContact NH1-OD1 2.83Å; R89-D130 IonicContact NH1-OD2 3.97Å; R89-D130 IonicContact NH2-OD1 2.71Å; R89-D130 PolarHBondContact NH2-OD1 2.84Å; R89-D130 IonicContact NH2-OD2 2.71Å; R89-D130 PolarHBondContact NH2-OD2 3.04Å; F107-D130 HydrophobicContact CD2-CB 4.19Å; F107-D130 HydrophobicContact CE1-CB 4.09Å; F107-D130 HydrophobicContact CE2-CB 3.62Å; F107-D130 HydrophobicContact CZ-CB 3.59Å; F107-D130 WeakPolarHBondContact O-CA 3.28Å; Y109-D130 HydrophobicContact CE2-CB 3.58Å; Y109-D130 VanDerWaalsContact CE2-OD2 3.26Å; Y109-D130 WeakPolarHBondContact CE2-OD2 3.3Å; Y109-D130 PolarHBondContact OH-OD2 2.95Å; Y109-D130 VanDerWaalsContact OH-OD2 3.08Å; P116-D130 WeakPolarHBondContact CA-OD2 3.42Å; F117-D130 PolarHBondContact N-OD2 2.66Å; F117-D130 VanDerWaalsContact N-OD2 3.16Å; F117-D130 WeakPolarHBondContact O-CB 3.36Å; F117-D130 VanDerWaalsContact O-CG 3.29Å; Y118-D130 WeakPolarHBondContact CE1-OD1 3.35Å; D130-N165 VanDerWaalsContact O-CB 3.3Å; D130-N165 WeakPolarHBondContact O-CB 3.28Å; D130-N165 PolarHBondContact O-ND2 3.01Å; D130-N165 VanDerWaalsContact O-ND2 3.16Å; D130-N165 PolarHBondContact OD1-ND2 2.98Å
131	F	96	Very high	95.5	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.7	175.6	-69.5	-92.5	0	0	0	110.6	D88 I99 K103 F107 W129 N165 I179	D88-F131 WeakPolarHBondContact OD1-CD1 3.44Å; I99-F131 HydrophobicContact CD1-CB 4.16Å; K103-F131 HydrophobicContact CD-CE2 4.36Å; K103-F131 HydrophobicContact CD-CZ 3.84Å; F107-F131 PolarHBondContact O-N 2.84Å; W129-F131 HydrophobicContact CB-CE2 3.8Å; W129-F131 HydrophobicContact CB-CZ 4.31Å; F131-N165 HydrophobicContact CD1-CB 4.06Å; F131-N165 HydrophobicContact CE1-CB 3.84Å; F131-N165 HydrophobicContact CZ-CB 4.22Å; F131-I179 HydrophobicContact CD1-CD1 3.43Å; F131-I179 VanDerWaalsContact CD1-CD1 3.43Å; F131-I179 HydrophobicContact CD1-CG2 4.37Å; F131-I179 HydrophobicContact CD2-CD1 4.4Å; F131-I179 HydrophobicContact CE1-CD1 3.31Å; F131-I179 HydrophobicContact CE2-CD1 4.31Å; F131-I179 HydrophobicContact CG-CD1 4Å; F131-I179 HydrophobicContact CZ-CD1 3.79Å
132	F	96.3	Very high	95.7	Very high	16 Å²	16	52.8 Å²	52.8	7%	0.07	25%	0.245	C	C	.	.			trans	-95.4	-15.6	167.4	-72	-95	0	0	0	111.7	D88 R89 Y109 D114 P116 F400	D88-F132 PolarHBondContact OD2-N 3.26Å; R89-F132 VanDerWaalsContact CD-CD2 3.44Å; Y109-F132 AromaticContact CD2-CD1 3.93Å; Y109-F132 HydrophobicContact CD2-CD1 3.93Å; Y109-F132 AromaticContact CD2-CD2 3.94Å; Y109-F132 HydrophobicContact CD2-CD2 3.94Å; Y109-F132 AromaticContact CD2-CE1 3.59Å; Y109-F132 HydrophobicContact CD2-CE1 3.59Å; Y109-F132 AromaticContact CD2-CE2 3.59Å; Y109-F132 HydrophobicContact CD2-CE2 3.59Å; Y109-F132 HydrophobicContact CD2-CG 4.1Å; Y109-F132 AromaticContact CD2-CZ 3.41Å; Y109-F132 HydrophobicContact CD2-CZ 3.41Å; Y109-F132 VanDerWaalsContact CD2-CZ 3.41Å; Y109-F132 HydrophobicContact CE2-CD2 4.05Å; Y109-F132 HydrophobicContact CE2-CE1 4.14Å; Y109-F132 AromaticContact CE2-CE2 3.4Å; Y109-F132 HydrophobicContact CE2-CE2 3.4Å; Y109-F132 VanDerWaalsContact CE2-CE2 3.4Å; Y109-F132 AromaticContact CE2-CZ 3.46Å; Y109-F132 HydrophobicContact CE2-CZ 3.46Å; Y109-F132 VanDerWaalsContact CE2-CZ 3.46Å; Y109-F132 HydrophobicContact CG-CD1 4.4Å; Y109-F132 AromaticContact CG-CE1 3.89Å; Y109-F132 HydrophobicContact CG-CE1 3.89Å; Y109-F132 AromaticContact CG-CZ 3.99Å; Y109-F132 HydrophobicContact CG-CZ 3.99Å; D114-F132 WeakPolarHBondContact O-CZ 3.45Å; P116-F132 HydrophobicContact CG-CE2 4.14Å; P116-F132 HydrophobicContact CG-CZ 4.47Å; F132-F400 HydrophobicContact CB-CD2 3.29Å; F132-F400 HydrophobicContact CB-CE2 3.74Å; F132-F400 HydrophobicContact CB-CG 4.24Å; F132-F400 HydrophobicContact CD1-CB 3.65Å; F132-F400 AromaticContact CD1-CD2 3.87Å; F132-F400 HydrophobicContact CD1-CD2 3.87Å; F132-F400 AromaticContact CD1-CG 3.96Å; F132-F400 HydrophobicContact CD1-CG 3.96Å; F132-F400 HydrophobicContact CE1-CB 3.87Å; F132-F400 HydrophobicContact CG-CB 4Å; F132-F400 AromaticContact CG-CD2 3.68Å; F132-F400 HydrophobicContact CG-CD2 3.68Å; F132-F400 HydrophobicContact CG-CG 4.19Å; F132-F400 HydrophobicContact CZ-CB 4.41Å
133	G	96.1	Very high	95.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.206	C	C	.	.			trans	82.8	21.6	170.3	0	0	0	0	0	114.6	D88 N92 N135	D88-G133 WeakPolarHBondContact OD1-CA 3.19Å; D88-G133 PolarHBondContact OD1-N 3.09Å; N92-G133 WeakPolarHBondContact CB-O 3.38Å; N92-G133 PolarHBondContact ND2-O 2.88Å; G133-N135 PolarHBondContact O-ND2 2.92Å
134	G	97.8	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.			trans	-56.6	143.6	168.3	0	0	0	0	0	111.6	P87 D88 A91 L180	P87-G134 CarbonylContact O-C 3.2Å; P87-G134 VanDerWaalsContact O-CA 3.3Å; P87-G134 WeakPolarHBondContact O-CA 3.29Å; D88-G134 WeakPolarHBondContact O-CA 3.14Å; D88-G134 PolarHBondContact O-N 3.4Å; A91-G134 CarbonylContact O-C 3.52Å; A91-G134 WeakPolarHBondContact O-CA 3.47Å; G134-L180 VanDerWaalsContact O-CD2 3.27Å; G134-L180 WeakPolarHBondContact O-CD2 3.24Å
135	N	98.5	Very high	96.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.188	C	C	.	.			trans	-149.2	169.5	-168.2	55.1	39.6	0	0	0	112.7	A91 N92 G93 N94 G133 K137 G138 I139 L180	A91-N135 PolarHBondContact O-N 3.32Å; N92-N135 PolarHBondContact OD1-ND2 2.89Å; G93-N135 PolarHBondContact N-OD1 3.25Å; N94-N135 PolarHBondContact ND2-ND2 3.12Å; G133-N135 PolarHBondContact O-ND2 2.92Å; N135-K137 VanDerWaalsContact C-N 3.29Å; N135-K137 PolarHBondContact O-N 3.42Å; N135-G138 PolarHBondContact O-N 3.26Å; N135-G138 PolarHBondContact OD1-N 3.48Å; N135-I139 PolarHBondContact O-N 3.08Å; N135-L180 WeakPolarHBondContact CA-O 3.46Å; N135-L180 VanDerWaalsContact CB-O 3.23Å; N135-L180 WeakPolarHBondContact CB-O 3.06Å
136	F	98.7	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-40.5	-177.3	-62	-43.3	0	0	0	112.3	G138 I139 Q140 I159 V176 L180 E185 F186 L189	F136-G138 VanDerWaalsContact C-N 3.31Å; F136-G138 PolarHBondContact O-N 3.4Å; F136-I139 PolarHBondContact O-N 2.89Å; F136-Q140 WeakPolarHBondContact O-CB 3.42Å; F136-Q140 PolarHBondContact O-N 3.1Å; F136-I159 HydrophobicContact CE1-CB 4.25Å; F136-I159 HydrophobicContact CE1-CD1 4.5Å; F136-I159 HydrophobicContact CE1-CG2 4.15Å; F136-I159 HydrophobicContact CZ-CB 4.19Å; F136-I159 HydrophobicContact CZ-CD1 4.32Å; F136-V176 HydrophobicContact CE2-CB 3.91Å; F136-V176 HydrophobicContact CE2-CG1 3.98Å; F136-V176 HydrophobicContact CE2-CG2 4.12Å; F136-V176 HydrophobicContact CZ-CB 4.04Å; F136-V176 HydrophobicContact CZ-CG1 3.91Å; F136-L180 HydrophobicContact CD1-CB 4.3Å; F136-L180 HydrophobicContact CD2-CB 4.17Å; F136-L180 VanDerWaalsContact CD2-O 3.23Å; F136-L180 WeakPolarHBondContact CD2-O 3.36Å; F136-L180 HydrophobicContact CE1-CB 3.9Å; F136-L180 HydrophobicContact CE1-CD1 3.99Å; F136-L180 HydrophobicContact CE2-CB 3.74Å; F136-L180 HydrophobicContact CG-CB 4.42Å; F136-L180 WeakPolarHBondContact CG-O 3.46Å; F136-L180 HydrophobicContact CZ-CB 3.6Å; F136-L180 HydrophobicContact CZ-CD1 3.99Å; F136-L180 HydrophobicContact CZ-CG 4.46Å; F136-L180 PolarHBondContact N-O 2.96Å; F136-E185 HydrophobicContact CD2-CB 4.45Å; F136-F186 AromaticContact CD1-CD2 3.92Å; F136-F186 HydrophobicContact CD1-CD2 3.92Å; F136-F186 HydrophobicContact CD2-CB 3.98Å; F136-F186 HydrophobicContact CD2-CD2 4.43Å; F136-F186 AromaticContact CE1-CD2 3.63Å; F136-F186 HydrophobicContact CE1-CD2 3.63Å; F136-F186 HydrophobicContact CE1-CE2 4.19Å; F136-F186 HydrophobicContact CE2-CB 3.83Å; F136-F186 HydrophobicContact CE2-CD2 4.18Å; F136-F186 HydrophobicContact CE2-CG 4.33Å; F136-F186 HydrophobicContact CG-CD2 4.32Å; F136-F186 HydrophobicContact CZ-CB 4.24Å; F136-F186 AromaticContact CZ-CD2 3.77Å; F136-F186 HydrophobicContact CZ-CD2 3.77Å; F136-F186 HydrophobicContact CZ-CG 4.24Å; F136-L189 HydrophobicContact CB-CD2 4.03Å; F136-L189 HydrophobicContact CD1-CD2 3.8Å; F136-L189 HydrophobicContact CG-CD2 4.25Å
137	K	98.4	Very high	97.2	Very high	78 Å²	78	35.8 Å²	35.8	34%	0.339	17%	0.172	S	C	.	.	H	α-helix	trans	-59.3	-43.3	174.7	-179	170.3	172.2	25.3	0	111.6	G93 N135 Q140 D141	G93-K137 WeakPolarHBondContact O-CD 3.43Å; G93-K137 WeakPolarHBondContact O-CE 3.45Å; N135-K137 VanDerWaalsContact C-N 3.29Å; N135-K137 PolarHBondContact O-N 3.42Å; K137-Q140 WeakPolarHBondContact O-CB 3.41Å; K137-Q140 PolarHBondContact O-N 3.07Å; K137-D141 VanDerWaalsContact NZ-CG 3.3Å; K137-D141 IonicContact NZ-OD1 3.93Å; K137-D141 PolarHBondContact NZ-OD1 3.18Å; K137-D141 IonicContact NZ-OD2 3.95Å; K137-D141 PolarHBondContact NZ-OD2 3.14Å; K137-D141 WeakPolarHBondContact O-CB 3.25Å; K137-D141 PolarHBondContact O-N 3.43Å
138	G	98.6	Very high	97.4	Very high	1 Å²	1	38 Å²	38	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-40.7	177.4	0	0	0	0	0	112.6	A91 G93 N135 F136 D141 K142	A91-G138 WeakPolarHBondContact CB-O 3.29Å; A91-G138 WeakPolarHBondContact O-CA 3.28Å; G93-G138 VanDerWaalsContact N-CA 3.34Å; N135-G138 PolarHBondContact O-N 3.26Å; N135-G138 PolarHBondContact OD1-N 3.48Å; F136-G138 VanDerWaalsContact C-N 3.31Å; F136-G138 PolarHBondContact O-N 3.4Å; G138-D141 PolarHBondContact O-N 3.41Å; G138-K142 VanDerWaalsContact O-CG 3.24Å; G138-K142 WeakPolarHBondContact O-CG 3.31Å; G138-K142 PolarHBondContact O-N 3.44Å
139	I	98.8	Very high	97.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-45.7	172.2	-59.5	168.8	0	0	0	110.1	I85 P87 F90 N135 F136 D141 K142 I143 L154 L156 L189	I85-I139 HydrophobicContact CD1-CG2 4.12Å; I85-I139 HydrophobicContact CG2-CD1 4.16Å; I85-I139 HydrophobicContact CG2-CG1 4.43Å; P87-I139 HydrophobicContact CB-CD1 4.2Å; F90-I139 HydrophobicContact CD1-CB 4.5Å; F90-I139 HydrophobicContact CD1-CG1 3.93Å; N135-I139 PolarHBondContact O-N 3.08Å; F136-I139 PolarHBondContact O-N 2.89Å; I139-D141 PolarHBondContact O-N 2.9Å; I139-K142 PolarHBondContact O-N 3.26Å; I139-K142 VanDerWaalsContact O-N 3.07Å; I139-I143 PolarHBondContact O-N 2.84Å; I139-L154 HydrophobicContact CG2-CD1 4.09Å; I139-L156 HydrophobicContact CD1-CD2 4.28Å; I139-L189 HydrophobicContact CB-CD1 4.18Å; I139-L189 HydrophobicContact CB-CD2 4.3Å; I139-L189 HydrophobicContact CD1-CD2 4.47Å; I139-L189 HydrophobicContact CG2-CD1 3.91Å; I139-L189 HydrophobicContact CG2-CD2 4.3Å
140	Q	98.8	Very high	97.7	Very high	56 Å²	56	30.7 Å²	30.7	26%	0.262	15%	0.154	S	C	.	.	H	α-helix	trans	-60.3	-43.2	179.7	-168.7	177.7	-48.7	0	0	112	F136 K137 K142 I143 S188 L189 A192	F136-Q140 WeakPolarHBondContact O-CB 3.42Å; F136-Q140 PolarHBondContact O-N 3.1Å; K137-Q140 WeakPolarHBondContact O-CB 3.41Å; K137-Q140 PolarHBondContact O-N 3.07Å; Q140-K142 PolarHBondContact O-N 3.02Å; Q140-K142 VanDerWaalsContact O-N 3.14Å; Q140-I143 HydrophobicContact CG-CD1 3.98Å; Q140-I143 WeakPolarHBondContact O-CB 3.45Å; Q140-I143 WeakPolarHBondContact O-CD1 3.33Å; Q140-I143 VanDerWaalsContact O-CG1 3.27Å; Q140-I143 WeakPolarHBondContact O-CG1 3.44Å; Q140-I143 PolarHBondContact O-N 3.48Å; Q140-S188 PolarHBondContact OE1-OG 3.12Å; Q140-L189 HydrophobicContact CB-CD1 3.78Å; Q140-L189 HydrophobicContact CG-CD1 4.38Å; Q140-A192 HydrophobicContact CG-CB 3.89Å
141	D	98.5	Very high	97.8	Very high	76 Å²	76	31 Å²	31	41%	0.406	16%	0.155	S	C	.	.	H	α-helix	trans	-65.8	-15	179	-67.7	-18.9	0	0	0	112.5	K137 G138 I139	K137-D141 VanDerWaalsContact NZ-CG 3.3Å; K137-D141 IonicContact NZ-OD1 3.93Å; K137-D141 PolarHBondContact NZ-OD1 3.18Å; K137-D141 IonicContact NZ-OD2 3.95Å; K137-D141 PolarHBondContact NZ-OD2 3.14Å; K137-D141 WeakPolarHBondContact O-CB 3.25Å; K137-D141 PolarHBondContact O-N 3.43Å; G138-D141 PolarHBondContact O-N 3.41Å; I139-D141 PolarHBondContact O-N 2.9Å
142	K	98.5	Very high	97.9	Very high	63 Å²	63	32.7 Å²	32.7	27%	0.274	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	6.6	179.1	-60.2	-58.4	-174.8	177.2	0	114	F90 A91 G138 I139 Q140 P144 Y145 L146 W403	F90-K142 HydrophobicContact CE1-CB 3.81Å; F90-K142 HydrophobicContact CE1-CG 4.18Å; F90-K142 HydrophobicContact CZ-CB 4.27Å; A91-K142 HydrophobicContact CB-CG 3.96Å; G138-K142 VanDerWaalsContact O-CG 3.24Å; G138-K142 WeakPolarHBondContact O-CG 3.31Å; G138-K142 PolarHBondContact O-N 3.44Å; I139-K142 PolarHBondContact O-N 3.26Å; I139-K142 VanDerWaalsContact O-N 3.07Å; Q140-K142 PolarHBondContact O-N 3.02Å; Q140-K142 VanDerWaalsContact O-N 3.14Å; K142-P144 VanDerWaalsContact C-CD 3.46Å; K142-P144 VanDerWaalsContact C-N 3.31Å; K142-Y145 WeakPolarHBondContact O-CB 3.35Å; K142-Y145 PolarHBondContact O-N 2.99Å; K142-L146 PolarHBondContact O-N 3.34Å; K142-L146 VanDerWaalsContact O-N 3.08Å; K142-W403 HydrophobicContact CB-CH2 3.92Å; K142-W403 HydrophobicContact CB-CZ2 4.26Å; K142-W403 HydrophobicContact CD-CD2 4.41Å; K142-W403 HydrophobicContact CD-CE3 4.13Å; K142-W403 HydrophobicContact CD-CH2 3.42Å; K142-W403 VanDerWaalsContact CD-CH2 3.42Å; K142-W403 HydrophobicContact CD-CZ2 3.71Å; K142-W403 HydrophobicContact CD-CZ3 3.64Å; K142-W403 HydrophobicContact CG-CH2 3.53Å; K142-W403 HydrophobicContact CG-CZ2 3.54Å; K142-W403 HydrophobicContact CG-CZ3 4.28Å
143	I	98.8	Very high	98	Very high	14 Å²	14	32 Å²	32	7%	0.072	16%	0.162	C	C	.	.	H	α-helix	trans	-52.3	-43.2	172.2	-70.4	172.2	0	0	0	112.7	I139 Q140 Y145 L146 Q147 A192 L193 A196	I139-I143 PolarHBondContact O-N 2.84Å; Q140-I143 HydrophobicContact CG-CD1 3.98Å; Q140-I143 WeakPolarHBondContact O-CB 3.45Å; Q140-I143 WeakPolarHBondContact O-CD1 3.33Å; Q140-I143 VanDerWaalsContact O-CG1 3.27Å; Q140-I143 WeakPolarHBondContact O-CG1 3.44Å; Q140-I143 PolarHBondContact O-N 3.48Å; I143-Y145 VanDerWaalsContact C-N 3.28Å; I143-Y145 PolarHBondContact O-N 3.19Å; I143-L146 PolarHBondContact O-N 2.94Å; I143-L146 VanDerWaalsContact O-N 3.14Å; I143-Q147 HydrophobicContact CG2-CG 4.33Å; I143-Q147 WeakPolarHBondContact O-CG 3.35Å; I143-Q147 PolarHBondContact O-N 3.14Å; I143-A192 HydrophobicContact CD1-CB 3.55Å; I143-L193 HydrophobicContact CD1-CD2 3.95Å; I143-L193 HydrophobicContact CD1-CG 4.09Å; I143-L193 HydrophobicContact CG1-CD2 3.79Å; I143-L193 HydrophobicContact CG1-CG 4.47Å; I143-A196 HydrophobicContact CG2-CB 3.48Å; I143-A196 VanDerWaalsContact CG2-CB 3.48Å
144	P	98.5	Very high	98.2	Very high	85 Å²	85	32 Å²	32	55%	0.552	16%	0.162	S	C	*	.	H	α-helix	trans	-59.2	-38.2	177	-26.3	36	0	0	0	113.6	K142 Q147 E148	K142-P144 VanDerWaalsContact C-CD 3.46Å; K142-P144 VanDerWaalsContact C-N 3.31Å; P144-Q147 PolarHBondContact O-N 3.24Å; P144-E148 PolarHBondContact O-N 2.83Å
145	Y	98.2	Very high	98.2	Very high	25 Å²	25	32 Å²	32	10%	0.098	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-42.5	175.9	172.9	-95.4	0	0	0	111.7	K142 I143 Q147 E148 L149 E386 F401 W403 I406 F411	K142-Y145 WeakPolarHBondContact O-CB 3.35Å; K142-Y145 PolarHBondContact O-N 2.99Å; I143-Y145 VanDerWaalsContact C-N 3.28Å; I143-Y145 PolarHBondContact O-N 3.19Å; Y145-Q147 VanDerWaalsContact C-N 3.33Å; Y145-Q147 PolarHBondContact O-N 3Å; Y145-E148 PolarHBondContact O-N 3.24Å; Y145-L149 HydrophobicContact CE1-CD2 4.42Å; Y145-L149 PolarHBondContact O-N 3.3Å; Y145-E386 WeakPolarHBondContact OH-CG 3.33Å; Y145-E386 PolarHBondContact OH-OE1 3.16Å; Y145-F401 HydrophobicContact CE1-CZ 4.12Å; Y145-F401 AromaticContact CZ-CZ 3.91Å; Y145-W403 AromaticContact CD1-CH2 3.8Å; Y145-W403 HydrophobicContact CD1-CH2 3.8Å; Y145-W403 AromaticContact CD1-CZ3 3.94Å; Y145-W403 HydrophobicContact CD1-CZ3 3.94Å; Y145-W403 HydrophobicContact CD2-CZ3 4.04Å; Y145-W403 HydrophobicContact CE1-CH2 4.15Å; Y145-W403 HydrophobicContact CE1-CZ3 4.23Å; Y145-W403 HydrophobicContact CE2-CZ3 4.31Å; Y145-W403 HydrophobicContact CG-CH2 4.11Å; Y145-W403 AromaticContact CG-CZ3 3.84Å; Y145-W403 HydrophobicContact CG-CZ3 3.84Å; Y145-I406 HydrophobicContact CE2-CD1 4.01Å; Y145-F411 HydrophobicContact CD2-CE2 4.12Å; Y145-F411 AromaticContact CE2-CD2 3.95Å; Y145-F411 HydrophobicContact CE2-CD2 3.95Å; Y145-F411 AromaticContact CE2-CE2 3.26Å; Y145-F411 HydrophobicContact CE2-CE2 3.26Å; Y145-F411 HydrophobicContact CE2-CZ 4.01Å; Y145-F411 AromaticContact CZ-CE2 3.63Å; Y145-F411 WeakPolarHBondContact OH-CE2 3.34Å
146	L	98.5	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-38.1	177.1	-65.2	168.2	0	0	0	111.7	Y83 F90 K142 I143 L149 G150 I151 L154 I198	Y83-L146 HydrophobicContact CD1-CD2 3.71Å; Y83-L146 HydrophobicContact CE1-CD2 3.89Å; Y83-L146 HydrophobicContact CG-CD2 4.12Å; F90-L146 HydrophobicContact CZ-CD2 4.25Å; K142-L146 PolarHBondContact O-N 3.34Å; K142-L146 VanDerWaalsContact O-N 3.08Å; I143-L146 PolarHBondContact O-N 2.94Å; I143-L146 VanDerWaalsContact O-N 3.14Å; L146-L149 PolarHBondContact O-N 3.09Å; L146-G150 PolarHBondContact O-N 3.47Å; L146-I151 HydrophobicContact CB-CB 4.29Å; L146-I151 HydrophobicContact CD2-CG1 4.29Å; L146-I151 WeakPolarHBondContact O-CB 3.41Å; L146-I151 WeakPolarHBondContact O-CG1 3.16Å; L146-I151 PolarHBondContact O-N 3.11Å; L146-L154 HydrophobicContact CD1-CD1 4.18Å; L146-L154 HydrophobicContact CD1-CD2 4.01Å; L146-L154 HydrophobicContact CD2-CD2 4.31Å; L146-I198 HydrophobicContact CB-CD1 4.11Å
147	Q	97.5	Very high	98.2	Very high	99 Å²	99	32 Å²	32	46%	0.463	16%	0.163	S	C	.	.	H	α-helix	trans	-67.6	-41.5	174.9	-70.5	-174	-64	0	0	112.3	I143 P144 Y145 L149 G150 A196 I198	I143-Q147 HydrophobicContact CG2-CG 4.33Å; I143-Q147 WeakPolarHBondContact O-CG 3.35Å; I143-Q147 PolarHBondContact O-N 3.14Å; P144-Q147 PolarHBondContact O-N 3.24Å; Y145-Q147 VanDerWaalsContact C-N 3.33Å; Y145-Q147 PolarHBondContact O-N 3Å; Q147-L149 VanDerWaalsContact C-N 3.25Å; Q147-L149 PolarHBondContact O-N 2.94Å; Q147-G150 PolarHBondContact O-N 3.17Å; Q147-A196 HydrophobicContact CG-CB 4.17Å; Q147-A196 PolarHBondContact NE2-O 3.24Å; Q147-I198 HydrophobicContact CG-CD1 4.26Å
148	E	96.4	Very high	98.2	Very high	117 Å²	117	28.3 Å²	28.3	55%	0.547	15%	0.147	S	C	.	.	H	α-helix	trans	-58.8	-39.7	174.6	-174.1	178.2	-175.4	0	0	111.1	P144 Y145 G150 F411	P144-E148 PolarHBondContact O-N 2.83Å; Y145-E148 PolarHBondContact O-N 3.24Å; E148-G150 PolarHBondContact O-N 2.81Å; E148-F411 HydrophobicContact CG-CE1 4.49Å; E148-F411 HydrophobicContact CG-CZ 4.09Å
149	L	96.5	Very high	98.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	0.9	176.7	-165.5	64.9	0	0	0	113.9	Y83 Y145 L146 Q147 I151 E386 F411 T418	Y83-L149 HydrophobicContact CD2-CD2 4.1Å; Y83-L149 HydrophobicContact CE2-CD2 3.74Å; Y145-L149 HydrophobicContact CE1-CD2 4.42Å; Y145-L149 PolarHBondContact O-N 3.3Å; L146-L149 PolarHBondContact O-N 3.09Å; Q147-L149 VanDerWaalsContact C-N 3.25Å; Q147-L149 PolarHBondContact O-N 2.94Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 HydrophobicContact CB-CG1 4.14Å; L149-I151 HydrophobicContact CD2-CD1 4.12Å; L149-I151 HydrophobicContact CD2-CG1 4.11Å; L149-I151 HydrophobicContact CG-CD1 4.19Å; L149-I151 HydrophobicContact CG-CG1 4.26Å; L149-I151 PolarHBondContact O-N 3.41Å; L149-E386 HydrophobicContact CD1-CG 4.32Å; L149-E386 HydrophobicContact CD2-CG 3.88Å; L149-F411 HydrophobicContact CD1-CD2 4.18Å; L149-F411 HydrophobicContact CD1-CE2 3.89Å; L149-T418 WeakPolarHBondContact O-CB 3.36Å; L149-T418 WeakPolarHBondContact O-CG2 3.3Å; L149-T418 PolarHBondContact O-OG1 3.18Å; L149-T418 VanDerWaalsContact O-OG1 3.07Å
150	G	96.5	Very high	98.1	Very high	11 Å²	11	28.4 Å²	28.4	11%	0.113	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	21.3	179.9	0	0	0	0	0	114.8	L146 Q147 E148 L422	L146-G150 PolarHBondContact O-N 3.47Å; Q147-G150 PolarHBondContact O-N 3.17Å; E148-G150 PolarHBondContact O-N 2.81Å; G150-L422 WeakPolarHBondContact O-CD1 3.34Å
151	I	98.2	Very high	98	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	15%	0.149	C	C	.	.			trans	-74.5	135.1	178.6	-56.4	-48.5	0	0	0	110.4	V81 Y83 L146 L149 A153 L154	V81-I151 HydrophobicContact CG1-CD1 3.81Å; Y83-I151 VanDerWaalsContact CB-CG2 3.47Å; Y83-I151 HydrophobicContact CD2-CD1 3.81Å; Y83-I151 HydrophobicContact CD2-CG1 3.99Å; Y83-I151 HydrophobicContact CG-CD1 4.23Å; Y83-I151 HydrophobicContact CG-CG1 4.12Å; Y83-I151 HydrophobicContact CG-CG2 4.45Å; L146-I151 HydrophobicContact CB-CB 4.29Å; L146-I151 HydrophobicContact CD2-CG1 4.29Å; L146-I151 WeakPolarHBondContact O-CB 3.41Å; L146-I151 WeakPolarHBondContact O-CG1 3.16Å; L146-I151 PolarHBondContact O-N 3.11Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 HydrophobicContact CB-CG1 4.14Å; L149-I151 HydrophobicContact CD2-CD1 4.12Å; L149-I151 HydrophobicContact CD2-CG1 4.11Å; L149-I151 HydrophobicContact CG-CD1 4.19Å; L149-I151 HydrophobicContact CG-CG1 4.26Å; L149-I151 PolarHBondContact O-N 3.41Å; I151-A153 WeakPolarHBondContact CG2-O 3.48Å; I151-L154 HydrophobicContact CG2-CD2 4Å
152	T	98.3	Very high	97.7	Very high	39 Å²	39	25.3 Å²	25.3	24%	0.239	13%	0.131	C	C	.	.			trans	-126.6	-3.8	-179.6	54.9	0	0	0	0	113.6	A80 V81 I198 A199 L422	A80-T152 VanDerWaalsContact CA-OG1 3.26Å; A80-T152 WeakPolarHBondContact CA-OG1 3.21Å; V81-T152 PolarHBondContact N-OG1 3.02Å; V81-T152 PolarHBondContact O-N 3.4Å; T152-I198 WeakPolarHBondContact O-CA 3.39Å; T152-A199 PolarHBondContact O-N 3.16Å; T152-L422 HydrophobicContact CG2-CD2 3.99Å
153	A	98.8	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	140.2	169.4	0	0	0	0	0	111.5	W76 A80 V81 F82 Y83 I151 A199	W76-A153 HydrophobicContact CZ3-CB 4.22Å; A80-A153 HydrophobicContact CB-CB 4.06Å; V81-A153 PolarHBondContact O-N 2.75Å; F82-A153 CarbonylContact C-O 3.34Å; F82-A153 VanDerWaalsContact CA-O 3.3Å; F82-A153 WeakPolarHBondContact CA-O 3.41Å; F82-A153 HydrophobicContact CD1-CB 3.85Å; F82-A153 HydrophobicContact CD2-CB 3.67Å; F82-A153 HydrophobicContact CE1-CB 3.71Å; F82-A153 HydrophobicContact CE2-CB 3.55Å; F82-A153 HydrophobicContact CG-CB 3.84Å; F82-A153 HydrophobicContact CZ-CB 3.57Å; Y83-A153 PolarHBondContact N-O 3.17Å; I151-A153 WeakPolarHBondContact CG2-O 3.48Å; A153-A199 CarbonylContact C-O 3.57Å; A153-A199 WeakPolarHBondContact CA-O 3.5Å; A153-A199 HydrophobicContact CB-CB 4.2Å
154	L	98.9	Very high	97.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.9	169.9	-64.7	-171.3	0	0	0	110.6	Y83 I85 I139 L146 I151 L156 L193 I198 A199 V201	Y83-L154 HydrophobicContact CD1-CD2 4.32Å; Y83-L154 WeakPolarHBondContact O-CA 3.26Å; I85-L154 HydrophobicContact CD1-CD1 4.01Å; I85-L154 HydrophobicContact CD1-CD2 3.9Å; I85-L154 HydrophobicContact CG1-CD2 4.48Å; I139-L154 HydrophobicContact CG2-CD1 4.09Å; L146-L154 HydrophobicContact CD1-CD1 4.18Å; L146-L154 HydrophobicContact CD1-CD2 4.01Å; L146-L154 HydrophobicContact CD2-CD2 4.31Å; I151-L154 HydrophobicContact CG2-CD2 4Å; L154-L156 HydrophobicContact CB-CD2 4.3Å; L154-L156 HydrophobicContact CD1-CD2 4.35Å; L154-L193 HydrophobicContact CD1-CD1 3.79Å; L154-L193 HydrophobicContact CD1-CD2 3.56Å; L154-L193 HydrophobicContact CD1-CG 4.36Å; L154-L193 HydrophobicContact CG-CD2 4.28Å; L154-I198 HydrophobicContact CD2-CG2 4.36Å; L154-I198 HydrophobicContact CG-CG2 3.76Å; L154-A199 PolarHBondContact N-O 3.08Å; L154-V201 PolarHBondContact O-N 2.84Å
155	Y	98.7	Very high	97	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	108.5	161.5	166.3	-160.4	0	0	0	107.5	Y83 Q84 I85 D203 R245 M302	Y83-Y155 PolarHBondContact O-N 2.85Å; Q84-Y155 CarbonylContact C-O 3.34Å; Q84-Y155 VanDerWaalsContact CA-O 3.27Å; Q84-Y155 WeakPolarHBondContact CA-O 3.21Å; Q84-Y155 HydrophobicContact CB-CD1 3.83Å; Q84-Y155 HydrophobicContact CB-CE1 4.47Å; Q84-Y155 HydrophobicContact CB-CG 4.32Å; Q84-Y155 VanDerWaalsContact CD-CE1 3.45Å; Q84-Y155 HydrophobicContact CG-CD1 3.72Å; Q84-Y155 HydrophobicContact CG-CE1 3.95Å; Q84-Y155 HydrophobicContact CG-CG 4.2Å; Q84-Y155 VanDerWaalsContact NE2-CZ 3.33Å; Q84-Y155 PolarHBondContact NE2-OH 3.48Å; I85-Y155 PolarHBondContact N-O 3.1Å; Y155-D203 HydrophobicContact CE2-CB 3.97Å; Y155-D203 PolarHBondContact OH-OD2 2.8Å; Y155-R245 HydrophobicContact CE1-CG 4.46Å; Y155-R245 HydrophobicContact CE2-CB 4.2Å; Y155-R245 HydrophobicContact CE2-CG 4.3Å; Y155-R245 VanDerWaalsContact OH-CD 3.28Å; Y155-R245 WeakPolarHBondContact OH-CD 3.32Å; Y155-R245 VanDerWaalsContact OH-CZ 3.29Å; Y155-R245 PolarHBondContact OH-NE 2.91Å; Y155-M302 HydrophobicContact CE1-CE 4.27Å
156	L	98.8	Very high	96.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.8	174.7	-57	-176.7	0	0	0	109.5	I85 I139 L154 I159 F186 V200 V201 L202 D203	I85-L156 HydrophobicContact CB-CD2 3.84Å; I85-L156 HydrophobicContact CD1-CD2 4.39Å; I85-L156 HydrophobicContact CG2-CD2 4.2Å; I139-L156 HydrophobicContact CD1-CD2 4.28Å; L154-L156 HydrophobicContact CB-CD2 4.3Å; L154-L156 HydrophobicContact CD1-CD2 4.35Å; L156-I159 HydrophobicContact CB-CG2 4.13Å; L156-I159 HydrophobicContact CD1-CG2 4.29Å; L156-F186 HydrophobicContact CD1-CE2 4.23Å; L156-V200 HydrophobicContact CD1-CG1 4.11Å; L156-V200 HydrophobicContact CG-CG1 4.36Å; L156-V201 PolarHBondContact N-O 3.18Å; L156-L202 HydrophobicContact CB-CD2 3.99Å; L156-L202 HydrophobicContact CD1-CD2 4.01Å; L156-L202 HydrophobicContact CG-CD2 4.38Å; L156-D203 PolarHBondContact O-N 2.82Å; L156-D203 VanDerWaalsContact O-N 3.15Å
157	N	98.4	Very high	96.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-52.5	161.5	160.1	-78	72.6	0	0	0	110.2	Q84 I85 I159 Y168 H349	Q84-N157 WeakPolarHBondContact CG-OD1 3.31Å; Q84-N157 PolarHBondContact NE2-OD1 3.23Å; I85-N157 PolarHBondContact O-N 3.35Å; I85-N157 PolarHBondContact O-OD1 3.13Å; N157-I159 WeakPolarHBondContact O-CG2 3.38Å; N157-I159 PolarHBondContact O-N 2.97Å; N157-Y168 PolarHBondContact ND2-OH 2.99Å; N157-H349 PolarHBondContact ND2-CD2 3.25Å; N157-H349 PolarHBondContact ND2-CE1 3.48Å; N157-H349 PolarHBondContact ND2-ND1 2.72Å; N157-H349 VanDerWaalsContact ND2-ND1 3.17Å
158	P	98.3	Very high	96.4	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-50	135	-167.2	-26.8	31.7	0	0	0	113	R167 Y168 D203 V205	P158-R167 HydrophobicContact CB-CB 3.94Å; P158-R167 WeakPolarHBondContact O-CD 3.47Å; P158-Y168 VanDerWaalsContact CD-CE2 3.42Å; P158-Y168 VanDerWaalsContact CD-OH 3.23Å; P158-Y168 WeakPolarHBondContact CD-OH 3.3Å; P158-Y168 HydrophobicContact CG-CD1 3.97Å; P158-Y168 HydrophobicContact CG-CD2 3.84Å; P158-Y168 HydrophobicContact CG-CE1 3.71Å; P158-Y168 HydrophobicContact CG-CE2 3.65Å; P158-Y168 HydrophobicContact CG-CG 4Å; P158-D203 HydrophobicContact CG-CB 3.83Å; P158-V205 HydrophobicContact CB-CG2 4.32Å; P158-V205 HydrophobicContact CG-CG2 3.56Å
159	I	98.2	Very high	96.1	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	8%	0.083	C	C	.	.			trans	-111.9	-4.5	-176.3	66.5	168.4	0	0	0	113.2	P87 F136 L156 N157 V176 D177 L180 F186 L202	P87-I159 HydrophobicContact CG-CG2 4.2Å; F136-I159 HydrophobicContact CE1-CB 4.25Å; F136-I159 HydrophobicContact CE1-CD1 4.5Å; F136-I159 HydrophobicContact CE1-CG2 4.15Å; F136-I159 HydrophobicContact CZ-CB 4.19Å; F136-I159 HydrophobicContact CZ-CD1 4.32Å; L156-I159 HydrophobicContact CB-CG2 4.13Å; L156-I159 HydrophobicContact CD1-CG2 4.29Å; N157-I159 WeakPolarHBondContact O-CG2 3.38Å; N157-I159 PolarHBondContact O-N 2.97Å; I159-V176 HydrophobicContact CD1-CG1 4.17Å; I159-V176 CarbonylContact O-C 3.58Å; I159-V176 WeakPolarHBondContact O-CA 3.27Å; I159-D177 PolarHBondContact O-N 3.36Å; I159-L180 HydrophobicContact CB-CD1 3.88Å; I159-L180 HydrophobicContact CG2-CD1 4.1Å; I159-F186 HydrophobicContact CD1-CD1 4.36Å; I159-F186 HydrophobicContact CD1-CD2 4.01Å; I159-F186 HydrophobicContact CD1-CE1 3.89Å; I159-F186 HydrophobicContact CD1-CE2 3.51Å; I159-F186 HydrophobicContact CD1-CG 4.42Å; I159-F186 HydrophobicContact CD1-CZ 3.44Å; I159-F186 VanDerWaalsContact CD1-CZ 3.44Å; I159-L202 HydrophobicContact CD1-CD1 3.85Å; I159-L202 HydrophobicContact CD1-CD2 3.89Å; I159-L202 HydrophobicContact CG1-CD1 4.38Å; I159-L202 HydrophobicContact CG1-CD2 4.37Å
160	F	97.3	Very high	95.9	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	157.9	-173.3	-53.8	-52.8	0	0	0	112	A162 T170 Y173 K175 L202 W236 W244	F160-A162 PolarHBondContact O-N 3.32Å; F160-T170 HydrophobicContact CB-CG2 3.6Å; F160-T170 HydrophobicContact CG-CG2 4.46Å; F160-Y173 AromaticContact CD2-CD1 3.66Å; F160-Y173 HydrophobicContact CD2-CD1 3.66Å; F160-Y173 HydrophobicContact CD2-CE1 4.35Å; F160-Y173 HydrophobicContact CE2-CD1 4.09Å; F160-Y173 HydrophobicContact CG-CD1 4.34Å; F160-K175 CarbonylContact C-O 3.47Å; F160-K175 VanDerWaalsContact CA-O 3.24Å; F160-K175 WeakPolarHBondContact CA-O 3.34Å; F160-L202 HydrophobicContact CZ-CD1 4.15Å; F160-W236 AromaticContact CD1-CZ2 3.92Å; F160-W236 HydrophobicContact CD1-CZ2 3.92Å; F160-W236 AromaticContact CE1-CD1 3.73Å; F160-W236 AromaticContact CE1-CD2 3.92Å; F160-W236 HydrophobicContact CE1-CD2 3.92Å; F160-W236 AromaticContact CE1-CE2 3.36Å; F160-W236 HydrophobicContact CE1-CG 4.17Å; F160-W236 AromaticContact CE1-CZ2 3.7Å; F160-W236 HydrophobicContact CE1-CZ2 3.7Å; F160-W236 AromaticContact CE1-NE1 3.24Å; F160-W236 AromaticContact CZ-CD1 3.83Å; F160-W236 HydrophobicContact CZ-CG 4.4Å; F160-W236 AromaticContact CZ-NE1 3.74Å; F160-W244 HydrophobicContact CE2-CH2 4.46Å; F160-W244 HydrophobicContact CE2-CZ3 4.16Å; F160-W244 AromaticContact CZ-CH2 3.91Å; F160-W244 HydrophobicContact CZ-CH2 3.91Å; F160-W244 HydrophobicContact CZ-CZ3 4.01Å
161	E	95.6	Very high	95.4	Very high	63 Å²	63	19.5 Å²	19.5	29%	0.294	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	123.2	-179.4	-174.8	-178.1	86.3	0	0	110.9	T170 N171 D172 K175	E161-T170 CarbonylContact O-C 3.55Å; E161-N171 HydrophobicContact CG-CB 4.48Å; E161-N171 WeakPolarHBondContact O-CB 3.3Å; E161-N171 PolarHBondContact O-N 3.14Å; E161-D172 HydrophobicContact CB-CB 4.42Å; E161-D172 PolarHBondContact O-N 3.26Å; E161-K175 HydrophobicContact CB-CB 4.28Å; E161-K175 PolarHBondContact N-O 3.02Å
162	A	93.7	Very high	95.1	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.033	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	179.4	-179.3	0	0	0	0	0	111.3	K103 F160 R167 D169 D177	K103-A162 VanDerWaalsContact CE-O 3.28Å; K103-A162 WeakPolarHBondContact CE-O 3.27Å; K103-A162 PolarHBondContact NZ-O 2.66Å; F160-A162 PolarHBondContact O-N 3.32Å; A162-R167 VanDerWaalsContact CB-CA 3.46Å; A162-R167 HydrophobicContact CB-CB 3.71Å; A162-R167 HydrophobicContact CB-CG 3.87Å; A162-D169 WeakPolarHBondContact CB-O 3.48Å; A162-D169 WeakPolarHBondContact CB-OD1 3.26Å; A162-D177 PolarHBondContact N-OD2 3.07Å; A162-D177 VanDerWaalsContact N-OD2 3.13Å
163	S	91.7	Very high	94.8	Very high	60 Å²	60	19.7 Å²	19.7	42%	0.42	10%	0.104	S	C	.	.	S	Bend	trans	-93.9	-38	173.2	-63.4	0	0	0	0	112.6	D169	S163-D169 WeakPolarHBondContact CA-OD2 3.33Å; S163-D169 VanDerWaalsContact CB-OD2 3.3Å; S163-D169 WeakPolarHBondContact CB-OD2 3.37Å; S163-D169 PolarHBondContact N-OD2 2.68Å; S163-D169 VanDerWaalsContact N-OD2 3.07Å
164	S	93.8	Very high	94.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-73.5	171.8	-179.6	76.8	0	0	0	0	114.1	W129 H166 R167 D169	W129-S164 VanDerWaalsContact CE2-CB 3.42Å; S164-H166 WeakPolarHBondContact CB-NE2 3.38Å; S164-H166 PolarHBondContact OG-CD2 3.43Å; S164-H166 PolarHBondContact OG-CE1 2.93Å; S164-H166 PolarHBondContact OG-N 3.25Å; S164-H166 PolarHBondContact OG-ND1 3.05Å; S164-H166 PolarHBondContact OG-NE2 2.99Å; S164-R167 PolarHBondContact OG-N 3.24Å; S164-D169 WeakPolarHBondContact CB-OD1 3.23Å; S164-D169 PolarHBondContact N-OD1 3.41Å; S164-D169 PolarHBondContact N-OD2 3.1Å; S164-D169 PolarHBondContact OG-OD1 2.96Å
165	N	94.2	Very high	94.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-75.9	-24.8	170.2	60.4	35	0	0	0	113.2	F86 R89 Y118 D130 F131 R167	F86-N165 WeakPolarHBondContact CE1-O 3.47Å; R89-N165 PolarHBondContact NH2-ND2 2.88Å; Y118-N165 VanDerWaalsContact CE1-ND2 3.31Å; Y118-N165 WeakPolarHBondContact CE1-ND2 3.44Å; D130-N165 VanDerWaalsContact O-CB 3.3Å; D130-N165 WeakPolarHBondContact O-CB 3.28Å; D130-N165 PolarHBondContact O-ND2 3.01Å; D130-N165 VanDerWaalsContact O-ND2 3.16Å; D130-N165 PolarHBondContact OD1-ND2 2.98Å; F131-N165 HydrophobicContact CD1-CB 4.06Å; F131-N165 HydrophobicContact CE1-CB 3.84Å; F131-N165 HydrophobicContact CZ-CB 4.22Å; N165-R167 PolarHBondContact O-NH1 3.37Å
166	H	94	Very high	94.2	Very high	28 Å²	28	27 Å²	27	13%	0.13	14%	0.137	C	C	.	.	S	Bend	trans	-93.1	-18.1	-176.6	59.3	79.5	0	0	0	112.4	F86 W129 S164 Y168	F86-H166 HydrophobicContact CE2-CB 3.79Å; F86-H166 HydrophobicContact CZ-CB 3.53Å; W129-H166 AromaticContact CH2-CD2 3.77Å; W129-H166 AromaticContact CH2-NE2 3.15Å; W129-H166 WeakPolarHBondContact CH2-NE2 3.45Å; W129-H166 AromaticContact CZ2-NE2 3.83Å; W129-H166 AromaticContact CZ3-CD2 3.67Å; W129-H166 AromaticContact CZ3-NE2 3.59Å; S164-H166 WeakPolarHBondContact CB-NE2 3.38Å; S164-H166 PolarHBondContact OG-CD2 3.43Å; S164-H166 PolarHBondContact OG-CE1 2.93Å; S164-H166 PolarHBondContact OG-N 3.25Å; S164-H166 PolarHBondContact OG-ND1 3.05Å; S164-H166 PolarHBondContact OG-NE2 2.99Å; H166-Y168 HydrophobicContact CB-CD2 3.9Å; H166-Y168 HydrophobicContact CB-CE2 4.34Å; H166-Y168 WeakPolarHBondContact ND1-CB 3.27Å; H166-Y168 AromaticContact ND1-CD2 3.41Å; H166-Y168 WeakPolarHBondContact ND1-CD2 3.4Å; H166-Y168 AromaticContact ND1-CG 3.89Å; H166-Y168 PolarHBondContact ND1-N 3.48Å; H166-Y168 VanDerWaalsContact O-CD2 3.26Å; H166-Y168 WeakPolarHBondContact O-CD2 3.44Å; H166-Y168 PolarHBondContact O-N 3.27Å
167	R	95.3	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.			trans	66	12.6	171.4	-58.1	166.1	176.7	80.5	7.5	116.3	P158 A162 S164 N165 D169 T170 D177 L180	P158-R167 HydrophobicContact CB-CB 3.94Å; P158-R167 WeakPolarHBondContact O-CD 3.47Å; A162-R167 VanDerWaalsContact CB-CA 3.46Å; A162-R167 HydrophobicContact CB-CB 3.71Å; A162-R167 HydrophobicContact CB-CG 3.87Å; S164-R167 PolarHBondContact OG-N 3.24Å; N165-R167 PolarHBondContact O-NH1 3.37Å; R167-D169 PolarHBondContact O-N 3.19Å; R167-T170 PolarHBondContact O-N 3.42Å; R167-T170 PolarHBondContact O-OG1 3.14Å; R167-D177 IonicContact CZ-OD1 3.03Å; R167-D177 IonicContact NE-OD1 3.76Å; R167-D177 PolarHBondContact NE-OD1 2.91Å; R167-D177 IonicContact NE-OD2 3.78Å; R167-D177 IonicContact NH2-OD1 3.96Å; R167-D177 PolarHBondContact NH2-OD1 2.84Å; R167-L180 VanDerWaalsContact CZ-CG 3.49Å; R167-L180 VanDerWaalsContact NH2-CD2 3.34Å
168	Y	93.4	Very high	94.1	Very high	39 Å²	39	28.3 Å²	28.3	15%	0.153	15%	0.147	C	C	.	.			trans	-68.7	-15.7	172.2	-70.8	-97.3	0	0	0	112.6	N157 P158 H166 T170 D203 V205 D247 H349	N157-Y168 PolarHBondContact ND2-OH 2.99Å; P158-Y168 VanDerWaalsContact CD-CE2 3.42Å; P158-Y168 VanDerWaalsContact CD-OH 3.23Å; P158-Y168 WeakPolarHBondContact CD-OH 3.3Å; P158-Y168 HydrophobicContact CG-CD1 3.97Å; P158-Y168 HydrophobicContact CG-CD2 3.84Å; P158-Y168 HydrophobicContact CG-CE1 3.71Å; P158-Y168 HydrophobicContact CG-CE2 3.65Å; P158-Y168 HydrophobicContact CG-CG 4Å; H166-Y168 HydrophobicContact CB-CD2 3.9Å; H166-Y168 HydrophobicContact CB-CE2 4.34Å; H166-Y168 WeakPolarHBondContact ND1-CB 3.27Å; H166-Y168 AromaticContact ND1-CD2 3.41Å; H166-Y168 WeakPolarHBondContact ND1-CD2 3.4Å; H166-Y168 AromaticContact ND1-CG 3.89Å; H166-Y168 PolarHBondContact ND1-N 3.48Å; H166-Y168 VanDerWaalsContact O-CD2 3.26Å; H166-Y168 WeakPolarHBondContact O-CD2 3.44Å; H166-Y168 PolarHBondContact O-N 3.27Å; Y168-T170 VanDerWaalsContact C-N 3.29Å; Y168-T170 PolarHBondContact O-N 3.16Å; Y168-D203 PolarHBondContact OH-OD2 3.15Å; Y168-V205 HydrophobicContact CD1-CB 4.38Å; Y168-V205 HydrophobicContact CD1-CG1 4.1Å; Y168-V205 HydrophobicContact CD1-CG2 3.35Å; Y168-V205 HydrophobicContact CE1-CG2 3.67Å; Y168-V205 HydrophobicContact CG-CG2 4.13Å; Y168-D247 HydrophobicContact CE1-CB 4.33Å; Y168-D247 WeakPolarHBondContact CE1-OD1 3.33Å; Y168-H349 AromaticContact CE2-NE2 3.87Å; Y168-H349 AromaticContact CZ-CD2 3.97Å; Y168-H349 AromaticContact CZ-NE2 3.34Å; Y168-H349 VanDerWaalsContact CZ-NE2 3.34Å; Y168-H349 PolarHBondContact OH-CE1 2.88Å; Y168-H349 VanDerWaalsContact OH-CE1 3.22Å; Y168-H349 PolarHBondContact OH-NE2 3.17Å
169	D	90.3	Very high	94	Very high	55 Å²	55	28.3 Å²	28.3	29%	0.294	15%	0.147	S	C	.	.	S	Bend	trans	-89.5	53	168.4	61.8	-40.1	0	0	0	111.3	A162 S163 S164 R167 N171	A162-D169 WeakPolarHBondContact CB-O 3.48Å; A162-D169 WeakPolarHBondContact CB-OD1 3.26Å; S163-D169 WeakPolarHBondContact CA-OD2 3.33Å; S163-D169 VanDerWaalsContact CB-OD2 3.3Å; S163-D169 WeakPolarHBondContact CB-OD2 3.37Å; S163-D169 PolarHBondContact N-OD2 2.68Å; S163-D169 VanDerWaalsContact N-OD2 3.07Å; S164-D169 WeakPolarHBondContact CB-OD1 3.23Å; S164-D169 PolarHBondContact N-OD1 3.41Å; S164-D169 PolarHBondContact N-OD2 3.1Å; S164-D169 PolarHBondContact OG-OD1 2.96Å; R167-D169 PolarHBondContact O-N 3.19Å; D169-N171 PolarHBondContact O-N 3.37Å
170	T	90.6	Very high	94	Very high	22 Å²	22	28.2 Å²	28.2	14%	0.135	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	128.1	-175.1	-60.7	0	0	0	0	112.3	F160 E161 R167 Y168 Y173	F160-T170 HydrophobicContact CB-CG2 3.6Å; F160-T170 HydrophobicContact CG-CG2 4.46Å; E161-T170 CarbonylContact O-C 3.55Å; R167-T170 PolarHBondContact O-N 3.42Å; R167-T170 PolarHBondContact O-OG1 3.14Å; Y168-T170 VanDerWaalsContact C-N 3.29Å; Y168-T170 PolarHBondContact O-N 3.16Å; T170-Y173 HydrophobicContact CG2-CD1 3.64Å; T170-Y173 HydrophobicContact CG2-CD2 3.98Å; T170-Y173 HydrophobicContact CG2-CE1 3.62Å; T170-Y173 HydrophobicContact CG2-CE2 3.93Å; T170-Y173 HydrophobicContact CG2-CG 3.81Å
171	N	87.9	Confident	94	Very high	88 Å²	88	28.4 Å²	28.4	47%	0.471	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-42.3	175.2	-67.5	-33.6	0	0	0	112.4	E161 D169 Y215	E161-N171 HydrophobicContact CG-CB 4.48Å; E161-N171 WeakPolarHBondContact O-CB 3.3Å; E161-N171 PolarHBondContact O-N 3.14Å; D169-N171 PolarHBondContact O-N 3.37Å; N171-Y215 PolarHBondContact O-OH 2.91Å; N171-Y215 VanDerWaalsContact O-OH 3.1Å
172	D	90.9	Very high	94.1	Very high	32 Å²	32	28.7 Å²	28.7	17%	0.171	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	104.2	-178.6	-172	-6	0	0	0	111.7	E161 F174 K175	E161-D172 HydrophobicContact CB-CB 4.42Å; E161-D172 PolarHBondContact O-N 3.26Å; D172-F174 PolarHBondContact O-N 2.74Å; D172-F174 VanDerWaalsContact O-N 3.17Å; D172-F174 WeakPolarHBondContact OD1-CB 3.35Å; D172-F174 PolarHBondContact OD1-N 3.16Å; D172-K175 PolarHBondContact O-N 3.41Å; D172-K175 VanDerWaalsContact O-N 3.12Å; D172-K175 VanDerWaalsContact O-O 3.12Å; D172-K175 WeakPolarHBondContact OD2-CD 3.46Å; D172-K175 WeakPolarHBondContact OD2-CE 3.38Å; D172-K175 IonicContact OD2-NZ 3.77Å
173	Y	92.4	Very high	94.3	Very high	16 Å²	16	31 Å²	31	6%	0.063	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-11.6	177.4	-63	-85.4	0	0	0	114	F160 T170 K175 V205 F206 V209 Y215 V232 W236	F160-Y173 AromaticContact CD2-CD1 3.66Å; F160-Y173 HydrophobicContact CD2-CD1 3.66Å; F160-Y173 HydrophobicContact CD2-CE1 4.35Å; F160-Y173 HydrophobicContact CE2-CD1 4.09Å; F160-Y173 HydrophobicContact CG-CD1 4.34Å; T170-Y173 HydrophobicContact CG2-CD1 3.64Å; T170-Y173 HydrophobicContact CG2-CD2 3.98Å; T170-Y173 HydrophobicContact CG2-CE1 3.62Å; T170-Y173 HydrophobicContact CG2-CE2 3.93Å; T170-Y173 HydrophobicContact CG2-CG 3.81Å; Y173-K175 VanDerWaalsContact C-N 3.33Å; Y173-V205 WeakPolarHBondContact CE1-O 3.36Å; Y173-V205 VanDerWaalsContact CZ-O 3.23Å; Y173-V205 PolarHBondContact OH-O 2.48Å; Y173-F206 HydrophobicContact CD1-CD1 4.17Å; Y173-F206 AromaticContact CD1-CE1 3.68Å; Y173-F206 HydrophobicContact CD1-CE1 3.68Å; Y173-F206 AromaticContact CE1-CD1 3.73Å; Y173-F206 HydrophobicContact CE1-CD1 3.73Å; Y173-F206 AromaticContact CE1-CE1 3.67Å; Y173-F206 HydrophobicContact CE1-CE1 3.67Å; Y173-F206 HydrophobicContact CG-CE1 4.42Å; Y173-V209 HydrophobicContact CE2-CG2 3.56Å; Y173-Y215 AromaticContact CD2-CD1 3.78Å; Y173-Y215 HydrophobicContact CD2-CD1 3.78Å; Y173-Y215 AromaticContact CD2-CD2 3.82Å; Y173-Y215 HydrophobicContact CD2-CD2 3.82Å; Y173-Y215 AromaticContact CD2-CE1 3.73Å; Y173-Y215 HydrophobicContact CD2-CE1 3.73Å; Y173-Y215 AromaticContact CD2-CE2 3.71Å; Y173-Y215 HydrophobicContact CD2-CE2 3.71Å; Y173-Y215 AromaticContact CD2-CG 3.84Å; Y173-Y215 HydrophobicContact CD2-CG 3.84Å; Y173-Y215 AromaticContact CD2-CZ 3.67Å; Y173-Y215 HydrophobicContact CE2-CD2 4.22Å; Y173-Y215 HydrophobicContact CE2-CE2 4.04Å; Y173-Y215 HydrophobicContact CG-CD1 4.31Å; Y173-Y215 HydrophobicContact CG-CE1 4.4Å; Y173-V232 HydrophobicContact CG-CG2 4.26Å; Y173-W236 WeakPolarHBondContact O-CZ2 3.22Å; Y173-W236 PolarHBondContact O-NE1 2.97Å
174	F	91.9	Very high	94.6	Very high	43 Å²	43	34.6 Å²	34.6	19%	0.189	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-1.2	174.5	-69	-71.8	0	0	0	112.7	D172 Y215 H230 V232 K235	D172-F174 PolarHBondContact O-N 2.74Å; D172-F174 VanDerWaalsContact O-N 3.17Å; D172-F174 WeakPolarHBondContact OD1-CB 3.35Å; D172-F174 PolarHBondContact OD1-N 3.16Å; F174-Y215 AromaticContact CD2-CD1 3.69Å; F174-Y215 HydrophobicContact CD2-CD1 3.69Å; F174-Y215 AromaticContact CD2-CE1 3.85Å; F174-Y215 HydrophobicContact CD2-CE1 3.85Å; F174-Y215 AromaticContact CE2-CD1 3.48Å; F174-Y215 HydrophobicContact CE2-CD1 3.48Å; F174-Y215 VanDerWaalsContact CE2-CD1 3.48Å; F174-Y215 HydrophobicContact CE2-CE1 4.05Å; F174-Y215 HydrophobicContact CE2-CG 4.45Å; F174-Y215 HydrophobicContact CZ-CD1 4.38Å; F174-H230 WeakPolarHBondContact CE1-O 3.49Å; F174-H230 WeakPolarHBondContact CZ-O 3.49Å; F174-V232 HydrophobicContact CE1-CG2 4.17Å; F174-V232 HydrophobicContact CE2-CG2 4.38Å; F174-V232 HydrophobicContact CZ-CG2 4.11Å; F174-K235 HydrophobicContact CD1-CD 3.92Å; F174-K235 PolarHBondContact O-NZ 3.37Å
175	K	94.1	Very high	94.8	Very high	100 Å²	100	37.6 Å²	37.6	44%	0.435	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.6	178.6	-66.4	179.4	-172.6	167.6	0	111.2	F160 E161 D172 Y173	F160-K175 CarbonylContact C-O 3.47Å; F160-K175 VanDerWaalsContact CA-O 3.24Å; F160-K175 WeakPolarHBondContact CA-O 3.34Å; E161-K175 HydrophobicContact CB-CB 4.28Å; E161-K175 PolarHBondContact N-O 3.02Å; D172-K175 PolarHBondContact O-N 3.41Å; D172-K175 VanDerWaalsContact O-N 3.12Å; D172-K175 VanDerWaalsContact O-O 3.12Å; D172-K175 WeakPolarHBondContact OD2-CD 3.46Å; D172-K175 WeakPolarHBondContact OD2-CE 3.38Å; D172-K175 IonicContact OD2-NZ 3.77Å; Y173-K175 VanDerWaalsContact C-N 3.33Å
176	V	97.4	Very high	95	Very high	11 Å²	11	37.6 Å²	37.6	7%	0.067	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	149.8	164.4	-66.7	0	0	0	0	109.9	F136 I159 S178 G181 E183 F186 W236	F136-V176 HydrophobicContact CE2-CB 3.91Å; F136-V176 HydrophobicContact CE2-CG1 3.98Å; F136-V176 HydrophobicContact CE2-CG2 4.12Å; F136-V176 HydrophobicContact CZ-CB 4.04Å; F136-V176 HydrophobicContact CZ-CG1 3.91Å; I159-V176 HydrophobicContact CD1-CG1 4.17Å; I159-V176 CarbonylContact O-C 3.58Å; I159-V176 WeakPolarHBondContact O-CA 3.27Å; V176-S178 PolarHBondContact O-N 3.25Å; V176-G181 WeakPolarHBondContact CG2-O 3.44Å; V176-E183 HydrophobicContact CG2-CG 4.05Å; V176-F186 HydrophobicContact CG1-CB 4.34Å; V176-F186 HydrophobicContact CG1-CG 4.37Å; V176-W236 HydrophobicContact CG1-CH2 3.7Å; V176-W236 HydrophobicContact CG1-CZ3 3.92Å
177	D	97.5	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.			trans	-66.3	127.3	174.7	-169.8	-90.3	0	0	0	111	K103 I159 A162 R167 I179 L180 G181	K103-D177 WeakPolarHBondContact CE-OD2 3.44Å; K103-D177 IonicContact NZ-OD1 2.66Å; K103-D177 PolarHBondContact NZ-OD1 2.91Å; K103-D177 IonicContact NZ-OD2 3.49Å; K103-D177 PolarHBondContact NZ-OD2 3.4Å; I159-D177 PolarHBondContact O-N 3.36Å; A162-D177 PolarHBondContact N-OD2 3.07Å; A162-D177 VanDerWaalsContact N-OD2 3.13Å; R167-D177 IonicContact CZ-OD1 3.03Å; R167-D177 IonicContact NE-OD1 3.76Å; R167-D177 PolarHBondContact NE-OD1 2.91Å; R167-D177 IonicContact NE-OD2 3.78Å; R167-D177 IonicContact NH2-OD1 3.96Å; R167-D177 PolarHBondContact NH2-OD1 2.84Å; D177-I179 PolarHBondContact O-N 2.8Å; D177-I179 VanDerWaalsContact OD1-CB 3.3Å; D177-I179 WeakPolarHBondContact OD1-CB 3.37Å; D177-I179 PolarHBondContact OD1-N 2.71Å; D177-I179 VanDerWaalsContact OD1-N 3.15Å; D177-L180 HydrophobicContact CB-CD1 4.4Å; D177-L180 HydrophobicContact CB-CG 4.28Å; D177-L180 WeakPolarHBondContact O-CB 3.17Å; D177-L180 PolarHBondContact O-N 3.17Å; D177-G181 PolarHBondContact O-N 2.76Å
178	S	96.9	Very high	95.3	Very high	30 Å²	30	44.1 Å²	44.1	21%	0.21	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.2	-173.3	59.2	0	0	0	0	114.8	N100 V176	N100-S178 VanDerWaalsContact CB-O 3.26Å; N100-S178 WeakPolarHBondContact CB-O 3.27Å; V176-S178 PolarHBondContact O-N 3.25Å
179	I	96.4	Very high	95.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-36.7	172.4	-65.2	177.6	0	0	0	110.5	I99 N100 K103 F131 D177	I99-I179 HydrophobicContact CG2-CG2 3.84Å; N100-I179 WeakPolarHBondContact CB-O 3.38Å; N100-I179 PolarHBondContact ND2-O 3.36Å; N100-I179 WeakPolarHBondContact O-CA 3.4Å; N100-I179 WeakPolarHBondContact O-CG1 3.5Å; K103-I179 HydrophobicContact CD-CD1 3.76Å; K103-I179 HydrophobicContact CG-CD1 3.89Å; F131-I179 HydrophobicContact CD1-CD1 3.43Å; F131-I179 VanDerWaalsContact CD1-CD1 3.43Å; F131-I179 HydrophobicContact CD1-CG2 4.37Å; F131-I179 HydrophobicContact CD2-CD1 4.4Å; F131-I179 HydrophobicContact CE1-CD1 3.31Å; F131-I179 HydrophobicContact CE2-CD1 4.31Å; F131-I179 HydrophobicContact CG-CD1 4Å; F131-I179 HydrophobicContact CZ-CD1 3.79Å; D177-I179 PolarHBondContact O-N 2.8Å; D177-I179 VanDerWaalsContact OD1-CB 3.3Å; D177-I179 WeakPolarHBondContact OD1-CB 3.37Å; D177-I179 PolarHBondContact OD1-N 2.71Å; D177-I179 VanDerWaalsContact OD1-N 3.15Å
180	L	98.2	Very high	96	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-28	-179.9	-58.8	-175.9	0	0	0	112.6	P87 G134 N135 F136 I159 R167 D177	P87-L180 HydrophobicContact CB-CD1 3.99Å; P87-L180 HydrophobicContact CB-CD2 3.6Å; P87-L180 HydrophobicContact CB-CG 4.45Å; P87-L180 HydrophobicContact CG-CD1 4.4Å; G134-L180 VanDerWaalsContact O-CD2 3.27Å; G134-L180 WeakPolarHBondContact O-CD2 3.24Å; N135-L180 WeakPolarHBondContact CA-O 3.46Å; N135-L180 VanDerWaalsContact CB-O 3.23Å; N135-L180 WeakPolarHBondContact CB-O 3.06Å; F136-L180 HydrophobicContact CD1-CB 4.3Å; F136-L180 HydrophobicContact CD2-CB 4.17Å; F136-L180 VanDerWaalsContact CD2-O 3.23Å; F136-L180 WeakPolarHBondContact CD2-O 3.36Å; F136-L180 HydrophobicContact CE1-CB 3.9Å; F136-L180 HydrophobicContact CE1-CD1 3.99Å; F136-L180 HydrophobicContact CE2-CB 3.74Å; F136-L180 HydrophobicContact CG-CB 4.42Å; F136-L180 WeakPolarHBondContact CG-O 3.46Å; F136-L180 HydrophobicContact CZ-CB 3.6Å; F136-L180 HydrophobicContact CZ-CD1 3.99Å; F136-L180 HydrophobicContact CZ-CG 4.46Å; F136-L180 PolarHBondContact N-O 2.96Å; I159-L180 HydrophobicContact CB-CD1 3.88Å; I159-L180 HydrophobicContact CG2-CD1 4.1Å; R167-L180 VanDerWaalsContact CZ-CG 3.49Å; R167-L180 VanDerWaalsContact NH2-CD2 3.34Å; D177-L180 HydrophobicContact CB-CD1 4.4Å; D177-L180 HydrophobicContact CB-CG 4.28Å; D177-L180 WeakPolarHBondContact O-CB 3.17Å; D177-L180 PolarHBondContact O-N 3.17Å
181	G	97.8	Very high	96.4	Very high	5 Å²	5	41.4 Å²	41.4	5%	0.052	22%	0.215	C	C	.	.			trans	137.7	-158.2	177.5	0	0	0	0	0	112.2	V176 D177 E185	V176-G181 WeakPolarHBondContact CG2-O 3.44Å; D177-G181 PolarHBondContact O-N 2.76Å; G181-E185 WeakPolarHBondContact CA-OE2 3.4Å
182	T	97.8	Very high	96.9	Very high	69 Å²	69	38.4 Å²	38.4	42%	0.423	20%	0.203	S	C	.	.			trans	-100.8	166.3	-179.4	59.8	0	0	0	0	112.1	E184 E185 F186	T182-E184 VanDerWaalsContact C-N 3.3Å; T182-E184 PolarHBondContact O-N 3.06Å; T182-E185 WeakPolarHBondContact CB-OE2 3.49Å; T182-E185 PolarHBondContact N-OE2 3.41Å; T182-E185 PolarHBondContact O-N 2.83Å; T182-E185 VanDerWaalsContact OG1-CG 3.31Å; T182-E185 WeakPolarHBondContact OG1-CG 3.49Å; T182-E185 PolarHBondContact OG1-N 2.95Å; T182-E185 PolarHBondContact OG1-OE2 3.08Å; T182-F186 PolarHBondContact O-N 2.78Å
183	E	97.2	Very high	97.3	Very high	52 Å²	52	36.9 Å²	36.9	24%	0.243	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-35.7	174.4	-67.3	-172.4	-162.3	0	0	112.2	V176 F186 R187 K235 W236 M239	V176-E183 HydrophobicContact CG2-CG 4.05Å; E183-F186 PolarHBondContact O-N 2.97Å; E183-R187 WeakPolarHBondContact O-CG 3.42Å; E183-R187 PolarHBondContact O-N 2.87Å; E183-K235 IonicContact OE1-NZ 2.73Å; E183-K235 PolarHBondContact OE1-NZ 3.09Å; E183-K235 WeakPolarHBondContact OE2-CE 3.3Å; E183-K235 IonicContact OE2-NZ 2.9Å; E183-K235 PolarHBondContact OE2-NZ 3.26Å; E183-W236 HydrophobicContact CG-CH2 4.29Å; E183-M239 WeakPolarHBondContact OE2-CE 3.25Å
184	E	97.7	Very high	97.6	Very high	136 Å²	136	39.8 Å²	39.8	64%	0.636	21%	0.209	S	C	*	.	H	α-helix	trans	-61	-43	172.1	-103.1	59.2	-141.4	0	0	112.2	T182 F186 R187 S188	T182-E184 VanDerWaalsContact C-N 3.3Å; T182-E184 PolarHBondContact O-N 3.06Å; E184-F186 VanDerWaalsContact C-N 3.35Å; E184-R187 PolarHBondContact O-N 3.43Å; E184-S188 WeakPolarHBondContact O-CB 3.48Å; E184-S188 PolarHBondContact O-N 3.33Å
185	E	98.3	Very high	97.9	Very high	62 Å²	62	43.9 Å²	43.9	29%	0.29	24%	0.238	S	C	.	.	H	α-helix	trans	-65.6	-38.8	175	-73.6	168.7	115.3	0	0	111.7	F136 G181 T182 S188 L189	F136-E185 HydrophobicContact CD2-CB 4.45Å; G181-E185 WeakPolarHBondContact CA-OE2 3.4Å; T182-E185 WeakPolarHBondContact CB-OE2 3.49Å; T182-E185 PolarHBondContact N-OE2 3.41Å; T182-E185 PolarHBondContact O-N 2.83Å; T182-E185 VanDerWaalsContact OG1-CG 3.31Å; T182-E185 WeakPolarHBondContact OG1-CG 3.49Å; T182-E185 PolarHBondContact OG1-N 2.95Å; T182-E185 PolarHBondContact OG1-OE2 3.08Å; E185-S188 WeakPolarHBondContact O-CB 3.3Å; E185-S188 PolarHBondContact O-N 2.97Å; E185-L189 PolarHBondContact O-N 3.47Å
186	F	98.5	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-42.6	174.5	-174.1	-117.1	0	0	0	111.9	F136 L156 I159 V176 T182 E183 E184 S188 L189 I190 L202 W236 V241	F136-F186 AromaticContact CD1-CD2 3.92Å; F136-F186 HydrophobicContact CD1-CD2 3.92Å; F136-F186 HydrophobicContact CD2-CB 3.98Å; F136-F186 HydrophobicContact CD2-CD2 4.43Å; F136-F186 AromaticContact CE1-CD2 3.63Å; F136-F186 HydrophobicContact CE1-CD2 3.63Å; F136-F186 HydrophobicContact CE1-CE2 4.19Å; F136-F186 HydrophobicContact CE2-CB 3.83Å; F136-F186 HydrophobicContact CE2-CD2 4.18Å; F136-F186 HydrophobicContact CE2-CG 4.33Å; F136-F186 HydrophobicContact CG-CD2 4.32Å; F136-F186 HydrophobicContact CZ-CB 4.24Å; F136-F186 AromaticContact CZ-CD2 3.77Å; F136-F186 HydrophobicContact CZ-CD2 3.77Å; F136-F186 HydrophobicContact CZ-CG 4.24Å; L156-F186 HydrophobicContact CD1-CE2 4.23Å; I159-F186 HydrophobicContact CD1-CD1 4.36Å; I159-F186 HydrophobicContact CD1-CD2 4.01Å; I159-F186 HydrophobicContact CD1-CE1 3.89Å; I159-F186 HydrophobicContact CD1-CE2 3.51Å; I159-F186 HydrophobicContact CD1-CG 4.42Å; I159-F186 HydrophobicContact CD1-CZ 3.44Å; I159-F186 VanDerWaalsContact CD1-CZ 3.44Å; V176-F186 HydrophobicContact CG1-CB 4.34Å; V176-F186 HydrophobicContact CG1-CG 4.37Å; T182-F186 PolarHBondContact O-N 2.78Å; E183-F186 PolarHBondContact O-N 2.97Å; E184-F186 VanDerWaalsContact C-N 3.35Å; F186-S188 VanDerWaalsContact C-N 3.33Å; F186-S188 PolarHBondContact O-N 3.36Å; F186-L189 HydrophobicContact CD2-CD2 4.35Å; F186-L189 WeakPolarHBondContact O-CB 3.42Å; F186-L189 PolarHBondContact O-N 3.42Å; F186-I190 HydrophobicContact CD1-CG1 4.46Å; F186-I190 HydrophobicContact CE1-CD1 4.31Å; F186-I190 HydrophobicContact CE1-CG1 4.08Å; F186-I190 HydrophobicContact CE2-CD1 4.1Å; F186-I190 HydrophobicContact CE2-CG1 4.32Å; F186-I190 HydrophobicContact CZ-CD1 3.77Å; F186-I190 HydrophobicContact CZ-CG1 4Å; F186-I190 WeakPolarHBondContact O-CG1 3.2Å; F186-I190 PolarHBondContact O-N 3.04Å; F186-L202 HydrophobicContact CZ-CD1 4.22Å; F186-L202 HydrophobicContact CZ-CD2 4.13Å; F186-W236 HydrophobicContact CD1-CE3 4.18Å; F186-W236 HydrophobicContact CD1-CZ3 4.02Å; F186-W236 HydrophobicContact CE1-CE3 4.01Å; F186-W236 HydrophobicContact CE1-CZ3 4.29Å; F186-V241 HydrophobicContact CE1-CG2 4.41Å; F186-V241 HydrophobicContact CZ-CG2 4.39Å
187	R	98	Very high	98.1	Very high	111 Å²	111	42.2 Å²	42.2	42%	0.419	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-42.3	173.6	-73.4	175	-177.9	-78.9	5.3	112.1	E183 E184 L189 I190 A191 M239	E183-R187 WeakPolarHBondContact O-CG 3.42Å; E183-R187 PolarHBondContact O-N 2.87Å; E184-R187 PolarHBondContact O-N 3.43Å; R187-L189 VanDerWaalsContact C-N 3.33Å; R187-I190 PolarHBondContact O-N 3.46Å; R187-A191 WeakPolarHBondContact O-CB 3.47Å; R187-A191 PolarHBondContact O-N 3.45Å; R187-M239 VanDerWaalsContact CZ-CE 3.49Å
188	S	98.5	Very high	98.2	Very high	54 Å²	54	42.3 Å²	42.3	38%	0.378	25%	0.25	S	C	.	.	H	α-helix	trans	-59.2	-45.2	174	173.5	0	0	0	0	111.2	Q140 E184 E185 F186 A191 A192	Q140-S188 PolarHBondContact OE1-OG 3.12Å; E184-S188 WeakPolarHBondContact O-CB 3.48Å; E184-S188 PolarHBondContact O-N 3.33Å; E185-S188 WeakPolarHBondContact O-CB 3.3Å; E185-S188 PolarHBondContact O-N 2.97Å; F186-S188 VanDerWaalsContact C-N 3.33Å; F186-S188 PolarHBondContact O-N 3.36Å; S188-A191 PolarHBondContact O-N 3.31Å; S188-A192 WeakPolarHBondContact O-CB 3.3Å; S188-A192 PolarHBondContact O-N 3.27Å
189	L	98.8	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-49.3	177.2	172.8	63.4	0	0	0	111.6	F136 I139 Q140 E185 F186 R187 A191 A192 L193	F136-L189 HydrophobicContact CB-CD2 4.03Å; F136-L189 HydrophobicContact CD1-CD2 3.8Å; F136-L189 HydrophobicContact CG-CD2 4.25Å; I139-L189 HydrophobicContact CB-CD1 4.18Å; I139-L189 HydrophobicContact CB-CD2 4.3Å; I139-L189 HydrophobicContact CD1-CD2 4.47Å; I139-L189 HydrophobicContact CG2-CD1 3.91Å; I139-L189 HydrophobicContact CG2-CD2 4.3Å; Q140-L189 HydrophobicContact CB-CD1 3.78Å; Q140-L189 HydrophobicContact CG-CD1 4.38Å; E185-L189 PolarHBondContact O-N 3.47Å; F186-L189 HydrophobicContact CD2-CD2 4.35Å; F186-L189 WeakPolarHBondContact O-CB 3.42Å; F186-L189 PolarHBondContact O-N 3.42Å; R187-L189 VanDerWaalsContact C-N 3.33Å; L189-A191 VanDerWaalsContact C-N 3.35Å; L189-A191 PolarHBondContact O-N 2.49Å; L189-A192 PolarHBondContact O-N 3.1Å; L189-L193 HydrophobicContact CD1-CD1 3.68Å; L189-L193 HydrophobicContact CD1-CG 3.9Å; L189-L193 HydrophobicContact CD2-CD1 4.46Å; L189-L193 HydrophobicContact CG-CD1 3.72Å; L189-L193 HydrophobicContact CG-CG 4.37Å; L189-L193 WeakPolarHBondContact O-CB 3.5Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 2.52Å
190	I	98.7	Very high	98.4	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-57.1	-48.7	177.5	-65.2	-59.9	0	0	0	110.9	F186 R187 A192 L193 H194 V200	F186-I190 HydrophobicContact CD1-CG1 4.46Å; F186-I190 HydrophobicContact CE1-CD1 4.31Å; F186-I190 HydrophobicContact CE1-CG1 4.08Å; F186-I190 HydrophobicContact CE2-CD1 4.1Å; F186-I190 HydrophobicContact CE2-CG1 4.32Å; F186-I190 HydrophobicContact CZ-CD1 3.77Å; F186-I190 HydrophobicContact CZ-CG1 4Å; F186-I190 WeakPolarHBondContact O-CG1 3.2Å; F186-I190 PolarHBondContact O-N 3.04Å; R187-I190 PolarHBondContact O-N 3.46Å; I190-A192 VanDerWaalsContact C-N 3.32Å; I190-A192 PolarHBondContact O-N 3.3Å; I190-L193 PolarHBondContact O-N 3.32Å; I190-H194 VanDerWaalsContact CG2-CE1 3.49Å; I190-H194 WeakPolarHBondContact CG2-CE1 3.45Å; I190-H194 WeakPolarHBondContact O-CB 3.26Å; I190-H194 PolarHBondContact O-N 3.32Å; I190-V200 HydrophobicContact CD1-CB 3.78Å; I190-V200 HydrophobicContact CD1-CG1 3.81Å; I190-V200 HydrophobicContact CD1-CG2 3.64Å
191	A	98.7	Very high	98.4	Very high	55 Å²	55	41.4 Å²	41.4	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-61.1	-40.6	179.8	0	0	0	0	0	112.3	R187 S188 L189 T195	R187-A191 WeakPolarHBondContact O-CB 3.47Å; R187-A191 PolarHBondContact O-N 3.45Å; S188-A191 PolarHBondContact O-N 3.31Å; L189-A191 VanDerWaalsContact C-N 3.35Å; L189-A191 PolarHBondContact O-N 2.49Å; A191-T195 WeakPolarHBondContact O-CB 3.42Å; A191-T195 PolarHBondContact O-N 3.24Å; A191-T195 PolarHBondContact O-OG1 3.25Å
192	A	98.8	Very high	98.4	Very high	25 Å²	25	41.2 Å²	41.2	21%	0.207	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-42.9	176.9	0	0	0	0	0	112.1	Q140 I143 S188 L189 I190 T195 A196	Q140-A192 HydrophobicContact CG-CB 3.89Å; I143-A192 HydrophobicContact CD1-CB 3.55Å; S188-A192 WeakPolarHBondContact O-CB 3.3Å; S188-A192 PolarHBondContact O-N 3.27Å; L189-A192 PolarHBondContact O-N 3.1Å; I190-A192 VanDerWaalsContact C-N 3.32Å; I190-A192 PolarHBondContact O-N 3.3Å; A192-T195 PolarHBondContact O-N 3.2Å; A192-A196 WeakPolarHBondContact O-CB 3.49Å; A192-A196 PolarHBondContact O-N 2.86Å
193	L	98.8	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-47.1	176.3	-72.5	167.2	0	0	0	111.6	I143 L154 L189 I190 T195 A196 G197 I198 V200	I143-L193 HydrophobicContact CD1-CD2 3.95Å; I143-L193 HydrophobicContact CD1-CG 4.09Å; I143-L193 HydrophobicContact CG1-CD2 3.79Å; I143-L193 HydrophobicContact CG1-CG 4.47Å; L154-L193 HydrophobicContact CD1-CD1 3.79Å; L154-L193 HydrophobicContact CD1-CD2 3.56Å; L154-L193 HydrophobicContact CD1-CG 4.36Å; L154-L193 HydrophobicContact CG-CD2 4.28Å; L189-L193 HydrophobicContact CD1-CD1 3.68Å; L189-L193 HydrophobicContact CD1-CG 3.9Å; L189-L193 HydrophobicContact CD2-CD1 4.46Å; L189-L193 HydrophobicContact CG-CD1 3.72Å; L189-L193 HydrophobicContact CG-CG 4.37Å; L189-L193 WeakPolarHBondContact O-CB 3.5Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 2.52Å; I190-L193 PolarHBondContact O-N 3.32Å; L193-T195 VanDerWaalsContact C-N 3.33Å; L193-T195 PolarHBondContact O-N 3.27Å; L193-A196 CarbonylContact O-C 3.6Å; L193-A196 WeakPolarHBondContact O-CA 3.25Å; L193-A196 WeakPolarHBondContact O-CB 3.49Å; L193-A196 PolarHBondContact O-N 3.4Å; L193-G197 PolarHBondContact O-N 3.29Å; L193-G197 VanDerWaalsContact O-N 3.1Å; L193-I198 CarbonylContact C-O 3.57Å; L193-I198 HydrophobicContact CB-CB 4.23Å; L193-I198 HydrophobicContact CD2-CB 4.05Å; L193-I198 HydrophobicContact CD2-CD1 4.15Å; L193-I198 HydrophobicContact CD2-CG2 3.91Å; L193-I198 PolarHBondContact O-N 2.75Å; L193-V200 HydrophobicContact CB-CG2 4.26Å; L193-V200 HydrophobicContact CD1-CG2 3.46Å; L193-V200 VanDerWaalsContact CD1-CG2 3.46Å; L193-V200 HydrophobicContact CG-CG2 4.48Å
194	H	98.7	Very high	98.2	Very high	77 Å²	77	35.5 Å²	35.5	36%	0.356	21%	0.21	S	C	.	.	H	α-helix	trans	-62.2	-39.4	176.4	-70.6	173.6	0	0	0	112.4	I190 A196 G197 I198 G240 D242	I190-H194 VanDerWaalsContact CG2-CE1 3.49Å; I190-H194 WeakPolarHBondContact CG2-CE1 3.45Å; I190-H194 WeakPolarHBondContact O-CB 3.26Å; I190-H194 PolarHBondContact O-N 3.32Å; H194-A196 PolarHBondContact O-N 3.21Å; H194-G197 PolarHBondContact O-N 2.71Å; H194-I198 PolarHBondContact CD2-O 3.16Å; H194-G240 PolarHBondContact CE1-O 3.16Å; H194-G240 PolarHBondContact NE2-O 3.31Å; H194-D242 IonicContact CD2-OD2 2.99Å; H194-D242 IonicContact CE1-OD2 3.76Å; H194-D242 IonicContact NE2-OD1 3.59Å; H194-D242 IonicContact NE2-OD2 2.79Å; H194-D242 PolarHBondContact NE2-OD2 2.86Å
195	T	98.6	Very high	98	Very high	130 Å²	130	29.5 Å²	29.5	80%	0.798	18%	0.183	S	C	*	.	H	α-helix	trans	-60.8	-34.5	173.4	-58.7	0	0	0	0	111.6	A191 A192 L193 G197	A191-T195 WeakPolarHBondContact O-CB 3.42Å; A191-T195 PolarHBondContact O-N 3.24Å; A191-T195 PolarHBondContact O-OG1 3.25Å; A192-T195 PolarHBondContact O-N 3.2Å; L193-T195 VanDerWaalsContact C-N 3.33Å; L193-T195 PolarHBondContact O-N 3.27Å; T195-G197 VanDerWaalsContact C-N 3.27Å; T195-G197 PolarHBondContact O-N 2.91Å
196	A	98.5	Very high	97.6	Very high	21 Å²	21	26.5 Å²	26.5	17%	0.174	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-3.1	175	0	0	0	0	0	114.2	I143 Q147 A192 L193 H194 I198	I143-A196 HydrophobicContact CG2-CB 3.48Å; I143-A196 VanDerWaalsContact CG2-CB 3.48Å; Q147-A196 HydrophobicContact CG-CB 4.17Å; Q147-A196 PolarHBondContact NE2-O 3.24Å; A192-A196 WeakPolarHBondContact O-CB 3.49Å; A192-A196 PolarHBondContact O-N 2.86Å; L193-A196 CarbonylContact O-C 3.6Å; L193-A196 WeakPolarHBondContact O-CA 3.25Å; L193-A196 WeakPolarHBondContact O-CB 3.49Å; L193-A196 PolarHBondContact O-N 3.4Å; H194-A196 PolarHBondContact O-N 3.21Å; A196-I198 HydrophobicContact CB-CD1 4.16Å; A196-I198 HydrophobicContact CB-CG1 4.23Å
197	G	98	Very high	96.8	Very high	55 Å²	55	27.9 Å²	27.9	57%	0.567	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	23.2	-176.9	0	0	0	0	0	114.2	L193 H194 T195	L193-G197 PolarHBondContact O-N 3.29Å; L193-G197 VanDerWaalsContact O-N 3.1Å; H194-G197 PolarHBondContact O-N 2.71Å; T195-G197 VanDerWaalsContact C-N 3.27Å; T195-G197 PolarHBondContact O-N 2.91Å
198	I	98.8	Very high	95.7	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	20%	0.196	C	C	.	.			trans	-108.7	116.6	-176.6	-56.8	176	0	0	0	109.8	L146 Q147 T152 L154 L193 H194 A196	L146-I198 HydrophobicContact CB-CD1 4.11Å; Q147-I198 HydrophobicContact CG-CD1 4.26Å; T152-I198 WeakPolarHBondContact O-CA 3.39Å; L154-I198 HydrophobicContact CD2-CG2 4.36Å; L154-I198 HydrophobicContact CG-CG2 3.76Å; L193-I198 CarbonylContact C-O 3.57Å; L193-I198 HydrophobicContact CB-CB 4.23Å; L193-I198 HydrophobicContact CD2-CB 4.05Å; L193-I198 HydrophobicContact CD2-CD1 4.15Å; L193-I198 HydrophobicContact CD2-CG2 3.91Å; L193-I198 PolarHBondContact O-N 2.75Å; H194-I198 PolarHBondContact CD2-O 3.16Å; A196-I198 HydrophobicContact CB-CD1 4.16Å; A196-I198 HydrophobicContact CB-CG1 4.23Å
199	A	98.7	Very high	94.7	Very high	11 Å²	11	29.5 Å²	29.5	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	161.7	175.2	0	0	0	0	0	112	W76 T152 A153 L154 D242	W76-A199 HydrophobicContact CD2-CB 4.12Å; W76-A199 HydrophobicContact CE3-CB 3.47Å; W76-A199 VanDerWaalsContact CE3-CB 3.47Å; W76-A199 HydrophobicContact CH2-CB 3.96Å; W76-A199 HydrophobicContact CZ3-CB 3.38Å; T152-A199 PolarHBondContact O-N 3.16Å; A153-A199 CarbonylContact C-O 3.57Å; A153-A199 WeakPolarHBondContact CA-O 3.5Å; A153-A199 HydrophobicContact CB-CB 4.2Å; L154-A199 PolarHBondContact N-O 3.08Å; A199-D242 WeakPolarHBondContact CA-OD2 3.06Å; A199-D242 HydrophobicContact CB-CB 4.08Å
200	V	98.7	Very high	93.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.6	-179.6	-174.9	0	0	0	0	112.6	L156 I190 L193 L202 D242 G243	L156-V200 HydrophobicContact CD1-CG1 4.11Å; L156-V200 HydrophobicContact CG-CG1 4.36Å; I190-V200 HydrophobicContact CD1-CB 3.78Å; I190-V200 HydrophobicContact CD1-CG1 3.81Å; I190-V200 HydrophobicContact CD1-CG2 3.64Å; L193-V200 HydrophobicContact CB-CG2 4.26Å; L193-V200 HydrophobicContact CD1-CG2 3.46Å; L193-V200 VanDerWaalsContact CD1-CG2 3.46Å; L193-V200 HydrophobicContact CG-CG2 4.48Å; V200-L202 HydrophobicContact CG1-CD2 4.13Å; V200-D242 PolarHBondContact N-OD2 2.86Å; V200-D242 WeakPolarHBondContact O-CA 3.38Å; V200-D242 WeakPolarHBondContact O-CB 2.8Å; V200-D242 PolarHBondContact O-N 2.6Å; V200-G243 PolarHBondContact O-N 3.23Å
201	V	98.8	Very high	92	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.9	171	174.1	0	0	0	0	109.3	W76 F82 L154 L156 G243 R245 I271	W76-V201 HydrophobicContact CH2-CG2 4.26Å; F82-V201 HydrophobicContact CE1-CB 4.08Å; F82-V201 HydrophobicContact CE1-CG2 3.67Å; F82-V201 HydrophobicContact CZ-CG2 3.9Å; L154-V201 PolarHBondContact O-N 2.84Å; L156-V201 PolarHBondContact N-O 3.18Å; V201-G243 WeakPolarHBondContact CA-O 3.34Å; V201-R245 HydrophobicContact CG1-CB 4.15Å; V201-I271 HydrophobicContact CG2-CG2 4.05Å
202	L	98.6	Very high	91	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	148.6	175.7	-63.9	-172	0	0	0	111.6	L156 I159 F160 F186 V200 W236 V241 G243 W244 R245	L156-L202 HydrophobicContact CB-CD2 3.99Å; L156-L202 HydrophobicContact CD1-CD2 4.01Å; L156-L202 HydrophobicContact CG-CD2 4.38Å; I159-L202 HydrophobicContact CD1-CD1 3.85Å; I159-L202 HydrophobicContact CD1-CD2 3.89Å; I159-L202 HydrophobicContact CG1-CD1 4.38Å; I159-L202 HydrophobicContact CG1-CD2 4.37Å; F160-L202 HydrophobicContact CZ-CD1 4.15Å; F186-L202 HydrophobicContact CZ-CD1 4.22Å; F186-L202 HydrophobicContact CZ-CD2 4.13Å; V200-L202 HydrophobicContact CG1-CD2 4.13Å; L202-W236 HydrophobicContact CD1-CB 4.42Å; L202-V241 HydrophobicContact CB-CG1 4.37Å; L202-V241 HydrophobicContact CD1-CG1 4.24Å; L202-V241 HydrophobicContact CD1-CG2 3.56Å; L202-V241 HydrophobicContact CG-CG1 3.9Å; L202-V241 HydrophobicContact CG-CG2 3.85Å; L202-G243 PolarHBondContact N-O 3.34Å; L202-G243 VanDerWaalsContact N-O 3.14Å; L202-W244 HydrophobicContact CB-CE3 4.04Å; L202-W244 HydrophobicContact CB-CH2 4.49Å; L202-W244 HydrophobicContact CB-CZ3 3.97Å; L202-W244 HydrophobicContact CD1-CH2 4.3Å; L202-W244 WeakPolarHBondContact O-CA 3.44Å; L202-R245 PolarHBondContact O-N 2.82Å
203	D	97.2	Very high	89.9	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.6	169.1	-150.3	-24.2	0	0	0	112	Y155 L156 P158 Y168 R245	Y155-D203 HydrophobicContact CE2-CB 3.97Å; Y155-D203 PolarHBondContact OH-OD2 2.8Å; L156-D203 PolarHBondContact O-N 2.82Å; L156-D203 VanDerWaalsContact O-N 3.15Å; P158-D203 HydrophobicContact CG-CB 3.83Å; Y168-D203 PolarHBondContact OH-OD2 3.15Å; D203-R245 CarbonylContact C-O 3.6Å; D203-R245 WeakPolarHBondContact CA-O 3.38Å; D203-R245 VanDerWaalsContact CG-NH1 3.28Å; D203-R245 VanDerWaalsContact OD1-CD 3.23Å; D203-R245 WeakPolarHBondContact OD1-CD 3.47Å; D203-R245 IonicContact OD1-CZ 3.83Å; D203-R245 IonicContact OD1-NE 2.63Å; D203-R245 IonicContact OD1-NH1 2.74Å; D203-R245 PolarHBondContact OD1-NH1 3.22Å; D203-R245 IonicContact OD2-CZ 3.41Å; D203-R245 IonicContact OD2-NH1 3.82Å; D203-R245 PolarHBondContact OD2-NH1 3.49Å
204	G	93.9	Very high	88.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	93.7	-178.7	0	0	0	0	0	111.5	F206 R245 D247	G204-F206 PolarHBondContact O-N 3.41Å; G204-R245 PolarHBondContact N-O 2.89Å; G204-D247 PolarHBondContact O-N 2.94Å
205	V	93.5	Very high	88	Confident	9 Å²	9	43 Å²	43	6%	0.055	24%	0.242	C	C	.	.			trans	-86.4	85.8	-178.3	-172.6	0	0	0	0	110.3	P158 Y168 Y173 D247	P158-V205 HydrophobicContact CB-CG2 4.32Å; P158-V205 HydrophobicContact CG-CG2 3.56Å; Y168-V205 HydrophobicContact CD1-CB 4.38Å; Y168-V205 HydrophobicContact CD1-CG1 4.1Å; Y168-V205 HydrophobicContact CD1-CG2 3.35Å; Y168-V205 HydrophobicContact CE1-CG2 3.67Å; Y168-V205 HydrophobicContact CG-CG2 4.13Å; Y173-V205 WeakPolarHBondContact CE1-O 3.36Å; Y173-V205 VanDerWaalsContact CZ-O 3.23Å; Y173-V205 PolarHBondContact OH-O 2.48Å; V205-D247 HydrophobicContact CB-CB 4.23Å; V205-D247 HydrophobicContact CG1-CB 4.31Å; V205-D247 HydrophobicContact CG2-CB 3.93Å
206	F	89.8	Confident	87.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.			trans	-114	5.9	-169.1	-54.2	-46.3	0	0	0	115.7	Y173 G204 H208 V209 F216 V232 L233 W244 L246 L252 F256 I260	Y173-F206 HydrophobicContact CD1-CD1 4.17Å; Y173-F206 AromaticContact CD1-CE1 3.68Å; Y173-F206 HydrophobicContact CD1-CE1 3.68Å; Y173-F206 AromaticContact CE1-CD1 3.73Å; Y173-F206 HydrophobicContact CE1-CD1 3.73Å; Y173-F206 AromaticContact CE1-CE1 3.67Å; Y173-F206 HydrophobicContact CE1-CE1 3.67Å; Y173-F206 HydrophobicContact CG-CE1 4.42Å; G204-F206 PolarHBondContact O-N 3.41Å; F206-H208 PolarHBondContact O-N 3.34Å; F206-H208 VanDerWaalsContact O-N 3.13Å; F206-V209 PolarHBondContact O-N 3.11Å; F206-V209 VanDerWaalsContact O-N 3.1Å; F206-F216 HydrophobicContact CB-CZ 4.38Å; F206-F216 HydrophobicContact CD1-CE2 4.03Å; F206-F216 AromaticContact CD1-CZ 3.64Å; F206-F216 HydrophobicContact CD1-CZ 3.64Å; F206-F216 AromaticContact CD2-CZ 3.87Å; F206-F216 HydrophobicContact CD2-CZ 3.87Å; F206-F216 HydrophobicContact CE1-CE2 4.42Å; F206-F216 AromaticContact CE1-CZ 3.77Å; F206-F216 HydrophobicContact CE1-CZ 3.77Å; F206-F216 HydrophobicContact CE2-CE1 4.49Å; F206-F216 AromaticContact CE2-CZ 4Å; F206-F216 HydrophobicContact CE2-CZ 4Å; F206-F216 HydrophobicContact CG-CE2 4.24Å; F206-F216 AromaticContact CG-CZ 3.7Å; F206-F216 HydrophobicContact CG-CZ 3.7Å; F206-F216 AromaticContact CZ-CZ 3.95Å; F206-F216 HydrophobicContact CZ-CZ 3.95Å; F206-V232 HydrophobicContact CE1-CG1 4.32Å; F206-V232 HydrophobicContact CZ-CG1 4.31Å; F206-L233 HydrophobicContact CE2-CD2 4.37Å; F206-W244 HydrophobicContact CZ-CE3 4.32Å; F206-W244 HydrophobicContact CZ-CZ3 4.03Å; F206-L246 HydrophobicContact CD2-CD2 3.96Å; F206-L246 HydrophobicContact CE2-CD2 4Å; F206-L252 HydrophobicContact CB-CD2 4.03Å; F206-L252 WeakPolarHBondContact O-CD2 3.43Å; F206-F256 HydrophobicContact CB-CE1 3.95Å; F206-F256 HydrophobicContact CB-CZ 4.48Å; F206-I260 HydrophobicContact CD2-CD1 4.12Å; F206-I260 HydrophobicContact CE2-CD1 4.48Å
207	S	80.6	Confident	86.2	Confident	29 Å²	29	36.3 Å²	36.3	20%	0.203	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.7	-171.5	57.4	0	0	0	0	115.3	E251	S207-E251 WeakPolarHBondContact CB-OE2 3.2Å; S207-E251 PolarHBondContact OG-OE2 3.02Å
208	H	76.2	Confident	85	Confident	172 Å²	172	38.2 Å²	38.2	80%	0.796	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	19.6	179.3	-64.3	-47.5	0	0	0	114.2	F206	F206-H208 PolarHBondContact O-N 3.34Å; F206-H208 VanDerWaalsContact O-N 3.13Å
209	V	76.4	Confident	83.8	Confident	26 Å²	26	41.5 Å²	41.5	16%	0.158	22%	0.218	C	C	.	.	S	Bend	trans	-113.3	124	179.5	179.8	0	0	0	0	110.7	Y173 F206 S213 Y215 F216	Y173-V209 HydrophobicContact CE2-CG2 3.56Å; F206-V209 PolarHBondContact O-N 3.11Å; F206-V209 VanDerWaalsContact O-N 3.1Å; V209-S213 WeakPolarHBondContact CG1-OG 3.44Å; V209-Y215 HydrophobicContact CG1-CD2 3.67Å; V209-Y215 HydrophobicContact CG1-CG 4.43Å; V209-Y215 HydrophobicContact CG2-CD2 4.46Å; V209-F216 HydrophobicContact CB-CE2 4.4Å; V209-F216 HydrophobicContact CG1-CD2 3.86Å; V209-F216 HydrophobicContact CG1-CE2 3.75Å
210	G	68.7	Low	82.5	Confident	46 Å²	46	42.3 Å²	42.3	47%	0.474	23%	0.227	S	C	.	.			trans	-66.9	143.1	176.4	0	0	0	0	0	112.8	N212 S213	G210-N212 PolarHBondContact O-N 2.84Å; G210-N212 VanDerWaalsContact O-N 3.12Å; G210-S213 WeakPolarHBondContact O-CB 3.44Å; G210-S213 PolarHBondContact O-N 3.42Å; G210-S213 PolarHBondContact O-OG 2.76Å
211	K	73.4	Confident	81.4	Confident	95 Å²	95	50 Å²	50	41%	0.413	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.2	176.6	72.3	-179	177	-176.4	0	115	F216 I218 F256	K211-F216 WeakPolarHBondContact O-CB 3.48Å; K211-I218 HydrophobicContact CB-CD1 3.92Å; K211-I218 WeakPolarHBondContact O-CG1 3.36Å; K211-I218 PolarHBondContact O-N 2.96Å; K211-F256 HydrophobicContact CB-CD2 3.57Å; K211-F256 HydrophobicContact CB-CE2 3.86Å
212	N	75.6	Confident	80.1	Confident	67 Å²	67	55.3 Å²	55.3	36%	0.358	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	15.2	174.7	-70.3	-35.8	0	0	0	112.7	G210 S219 Y222	G210-N212 PolarHBondContact O-N 2.84Å; G210-N212 VanDerWaalsContact O-N 3.12Å; N212-S219 WeakPolarHBondContact OD1-CB 3.13Å; N212-S219 PolarHBondContact OD1-N 2.84Å; N212-S219 PolarHBondContact OD1-OG 3.06Å; N212-Y222 VanDerWaalsContact O-CE2 3.22Å; N212-Y222 WeakPolarHBondContact O-CE2 3.49Å
213	S	77.1	Confident	78.6	Confident	23 Å²	23	56.7 Å²	56.7	16%	0.161	30%	0.297	C	S	.	.	S	Bend	trans	-66	166.4	170.9	66.3	0	0	0	0	110.9	V209 G210 Y215 F216 N217 Y222	V209-S213 WeakPolarHBondContact CG1-OG 3.44Å; G210-S213 WeakPolarHBondContact O-CB 3.44Å; G210-S213 PolarHBondContact O-N 3.42Å; G210-S213 PolarHBondContact O-OG 2.76Å; S213-Y215 PolarHBondContact O-N 2.92Å; S213-Y215 PolarHBondContact OG-N 3.41Å; S213-F216 PolarHBondContact O-N 3.18Å; S213-F216 VanDerWaalsContact O-N 3.17Å; S213-N217 WeakPolarHBondContact O-CA 3.42Å; S213-N217 PolarHBondContact O-N 2.93Å; S213-Y222 VanDerWaalsContact C-CE2 3.48Å
214	R	77.5	Confident	77	Confident	165 Å²	165	65.2 Å²	65.2	62%	0.623	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-23.3	174.5	-172.3	179.1	179.8	-170.8	0.1	113.1	Y222	R214-Y222 HydrophobicContact CB-CD2 4.4Å; R214-Y222 HydrophobicContact CB-CE2 4.2Å; R214-Y222 VanDerWaalsContact N-CE2 3.26Å
215	Y	80.8	Confident	75.1	Confident	49 Å²	49	71.3 Å²	71.3	19%	0.192	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-30.5	-178	-60.4	-58.7	0	0	0	114.1	N171 Y173 F174 V209 S213 S231 V232	N171-Y215 PolarHBondContact O-OH 2.91Å; N171-Y215 VanDerWaalsContact O-OH 3.1Å; Y173-Y215 AromaticContact CD2-CD1 3.78Å; Y173-Y215 HydrophobicContact CD2-CD1 3.78Å; Y173-Y215 AromaticContact CD2-CD2 3.82Å; Y173-Y215 HydrophobicContact CD2-CD2 3.82Å; Y173-Y215 AromaticContact CD2-CE1 3.73Å; Y173-Y215 HydrophobicContact CD2-CE1 3.73Å; Y173-Y215 AromaticContact CD2-CE2 3.71Å; Y173-Y215 HydrophobicContact CD2-CE2 3.71Å; Y173-Y215 AromaticContact CD2-CG 3.84Å; Y173-Y215 HydrophobicContact CD2-CG 3.84Å; Y173-Y215 AromaticContact CD2-CZ 3.67Å; Y173-Y215 HydrophobicContact CE2-CD2 4.22Å; Y173-Y215 HydrophobicContact CE2-CE2 4.04Å; Y173-Y215 HydrophobicContact CG-CD1 4.31Å; Y173-Y215 HydrophobicContact CG-CE1 4.4Å; F174-Y215 AromaticContact CD2-CD1 3.69Å; F174-Y215 HydrophobicContact CD2-CD1 3.69Å; F174-Y215 AromaticContact CD2-CE1 3.85Å; F174-Y215 HydrophobicContact CD2-CE1 3.85Å; F174-Y215 AromaticContact CE2-CD1 3.48Å; F174-Y215 HydrophobicContact CE2-CD1 3.48Å; F174-Y215 VanDerWaalsContact CE2-CD1 3.48Å; F174-Y215 HydrophobicContact CE2-CE1 4.05Å; F174-Y215 HydrophobicContact CE2-CG 4.45Å; F174-Y215 HydrophobicContact CZ-CD1 4.38Å; V209-Y215 HydrophobicContact CG1-CD2 3.67Å; V209-Y215 HydrophobicContact CG1-CG 4.43Å; V209-Y215 HydrophobicContact CG2-CD2 4.46Å; S213-Y215 PolarHBondContact O-N 2.92Å; S213-Y215 PolarHBondContact OG-N 3.41Å; Y215-S231 CarbonylContact O-C 3.53Å; Y215-S231 VanDerWaalsContact O-CA 3.28Å; Y215-S231 WeakPolarHBondContact O-CA 3.19Å; Y215-V232 HydrophobicContact CD1-CG2 3.81Å; Y215-V232 HydrophobicContact CG-CG2 4.13Å; Y215-V232 PolarHBondContact O-N 3.29Å
216	F	79.7	Confident	73	Confident	9 Å²	9	73.5 Å²	73.5	4%	0.039	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-41.5	-174.4	-66.4	-82.7	0	0	0	112.5	F206 V209 K211 S213 I218 L233 F256	F206-F216 HydrophobicContact CB-CZ 4.38Å; F206-F216 HydrophobicContact CD1-CE2 4.03Å; F206-F216 AromaticContact CD1-CZ 3.64Å; F206-F216 HydrophobicContact CD1-CZ 3.64Å; F206-F216 AromaticContact CD2-CZ 3.87Å; F206-F216 HydrophobicContact CD2-CZ 3.87Å; F206-F216 HydrophobicContact CE1-CE2 4.42Å; F206-F216 AromaticContact CE1-CZ 3.77Å; F206-F216 HydrophobicContact CE1-CZ 3.77Å; F206-F216 HydrophobicContact CE2-CE1 4.49Å; F206-F216 AromaticContact CE2-CZ 4Å; F206-F216 HydrophobicContact CE2-CZ 4Å; F206-F216 HydrophobicContact CG-CE2 4.24Å; F206-F216 AromaticContact CG-CZ 3.7Å; F206-F216 HydrophobicContact CG-CZ 3.7Å; F206-F216 AromaticContact CZ-CZ 3.95Å; F206-F216 HydrophobicContact CZ-CZ 3.95Å; V209-F216 HydrophobicContact CB-CE2 4.4Å; V209-F216 HydrophobicContact CG1-CD2 3.86Å; V209-F216 HydrophobicContact CG1-CE2 3.75Å; K211-F216 WeakPolarHBondContact O-CB 3.48Å; S213-F216 PolarHBondContact O-N 3.18Å; S213-F216 VanDerWaalsContact O-N 3.17Å; F216-I218 VanDerWaalsContact C-N 3.26Å; F216-I218 HydrophobicContact CB-CG1 4.33Å; F216-I218 PolarHBondContact O-N 3.04Å; F216-I218 VanDerWaalsContact O-N 3.17Å; F216-L233 HydrophobicContact CE1-CD1 4.27Å; F216-L233 HydrophobicContact CE1-CG 4.23Å; F216-F256 HydrophobicContact CB-CE2 4.35Å; F216-F256 AromaticContact CD1-CE2 3.95Å; F216-F256 HydrophobicContact CD1-CE2 3.95Å; F216-F256 AromaticContact CD1-CZ 3.92Å; F216-F256 HydrophobicContact CD1-CZ 3.92Å; F216-F256 HydrophobicContact CD2-CE2 4.06Å; F216-F256 AromaticContact CD2-CZ 3.76Å; F216-F256 HydrophobicContact CD2-CZ 3.76Å; F216-F256 HydrophobicContact CE1-CE2 4.26Å; F216-F256 AromaticContact CE1-CZ 3.77Å; F216-F256 HydrophobicContact CE1-CZ 3.77Å; F216-F256 HydrophobicContact CE2-CE2 4.38Å; F216-F256 AromaticContact CE2-CZ 3.63Å; F216-F256 HydrophobicContact CE2-CZ 3.63Å; F216-F256 AromaticContact CG-CE2 3.84Å; F216-F256 HydrophobicContact CG-CE2 3.84Å; F216-F256 AromaticContact CG-CZ 3.91Å; F216-F256 HydrophobicContact CG-CZ 3.91Å; F216-F256 HydrophobicContact CZ-CE1 4.45Å; F216-F256 HydrophobicContact CZ-CE2 4.47Å; F216-F256 AromaticContact CZ-CZ 3.64Å; F216-F256 HydrophobicContact CZ-CZ 3.64Å
217	N	78.1	Confident	71	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.011	39%	0.386	C	S	.	.			trans	44.4	48.3	175.2	-175.1	38.9	0	0	0	113	S213 S219 G220 F221 Y222 G223 T226 G227	S213-N217 WeakPolarHBondContact O-CA 3.42Å; S213-N217 PolarHBondContact O-N 2.93Å; N217-S219 PolarHBondContact O-N 3.24Å; N217-G220 PolarHBondContact O-N 3.4Å; N217-G220 WeakPolarHBondContact OD1-CA 3.2Å; N217-G220 PolarHBondContact OD1-N 3.15Å; N217-F221 PolarHBondContact OD1-N 2.79Å; N217-Y222 HydrophobicContact CB-CD2 4.16Å; N217-Y222 PolarHBondContact OD1-N 2.76Å; N217-G223 PolarHBondContact ND2-O 3.3Å; N217-G223 VanDerWaalsContact ND2-O 3.09Å; N217-T226 VanDerWaalsContact CB-O 3.23Å; N217-T226 WeakPolarHBondContact CB-O 3.37Å; N217-T226 PolarHBondContact ND2-O 3.21Å; N217-G227 WeakPolarHBondContact ND2-CA 3.46Å; N217-G227 PolarHBondContact ND2-N 3Å
218	I	72.3	Confident	69.5	Low	94 Å²	94	75.2 Å²	75.2	48%	0.482	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-35.4	-175.1	-66.8	-176.5	0	0	0	112	K211 F216 G220 F256	K211-I218 HydrophobicContact CB-CD1 3.92Å; K211-I218 WeakPolarHBondContact O-CG1 3.36Å; K211-I218 PolarHBondContact O-N 2.96Å; F216-I218 VanDerWaalsContact C-N 3.26Å; F216-I218 HydrophobicContact CB-CG1 4.33Å; F216-I218 PolarHBondContact O-N 3.04Å; F216-I218 VanDerWaalsContact O-N 3.17Å; I218-G220 VanDerWaalsContact C-N 3.33Å; I218-F256 HydrophobicContact CD1-CD2 4.13Å; I218-F256 HydrophobicContact CD1-CE2 4.36Å
219	S	73.8	Confident	68.1	Low	72 Å²	72	70.4 Å²	70.4	50%	0.503	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.4	176.9	56.8	0	0	0	0	115.2	N212 N217 F221	N212-S219 WeakPolarHBondContact OD1-CB 3.13Å; N212-S219 PolarHBondContact OD1-N 2.84Å; N212-S219 PolarHBondContact OD1-OG 3.06Å; N217-S219 PolarHBondContact O-N 3.24Å; S219-F221 PolarHBondContact O-N 3.46Å; S219-F221 PolarHBondContact OG-N 2.94Å
220	G	73	Confident	67.3	Low	28 Å²	28	74.5 Å²	74.5	29%	0.289	41%	0.406	S	S	.	.			trans	72.8	10.3	-172	0	0	0	0	0	114.6	N217 I218 Y222 G223	N217-G220 PolarHBondContact O-N 3.4Å; N217-G220 WeakPolarHBondContact OD1-CA 3.2Å; N217-G220 PolarHBondContact OD1-N 3.15Å; I218-G220 VanDerWaalsContact C-N 3.33Å; G220-Y222 PolarHBondContact O-N 2.88Å; G220-Y222 VanDerWaalsContact O-N 3.16Å; G220-G223 CarbonylContact O-C 3.53Å; G220-G223 WeakPolarHBondContact O-CA 3.15Å; G220-G223 PolarHBondContact O-N 2.68Å
221	F	74	Confident	67.9	Low	162 Å²	162	72.5 Å²	72.5	71%	0.711	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.7	179.2	-176.4	-99.5	0	0	0	114.1	N217 S219 G223	N217-F221 PolarHBondContact OD1-N 2.79Å; S219-F221 PolarHBondContact O-N 3.46Å; S219-F221 PolarHBondContact OG-N 2.94Å; F221-G223 PolarHBondContact O-N 2.96Å
222	Y	72.5	Confident	68.6	Low	111 Å²	111	68 Å²	68	44%	0.435	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	10	175.9	-67.3	-79.1	0	0	0	113.9	N212 S213 R214 N217 G220 T226	N212-Y222 VanDerWaalsContact O-CE2 3.22Å; N212-Y222 WeakPolarHBondContact O-CE2 3.49Å; S213-Y222 VanDerWaalsContact C-CE2 3.48Å; R214-Y222 HydrophobicContact CB-CD2 4.4Å; R214-Y222 HydrophobicContact CB-CE2 4.2Å; R214-Y222 VanDerWaalsContact N-CE2 3.26Å; N217-Y222 HydrophobicContact CB-CD2 4.16Å; N217-Y222 PolarHBondContact OD1-N 2.76Å; G220-Y222 PolarHBondContact O-N 2.88Å; G220-Y222 VanDerWaalsContact O-N 3.16Å; Y222-T226 WeakPolarHBondContact O-CB 3.26Å; Y222-T226 PolarHBondContact O-OG1 3.04Å
223	G	67.1	Low	69.2	Low	31 Å²	31	64.9 Å²	64.9	32%	0.32	35%	0.349	S	S	.	.			trans	104.7	151	-174.7	0	0	0	0	0	112.6	N217 G220 F221 N225 T226	N217-G223 PolarHBondContact ND2-O 3.3Å; N217-G223 VanDerWaalsContact ND2-O 3.09Å; G220-G223 CarbonylContact O-C 3.53Å; G220-G223 WeakPolarHBondContact O-CA 3.15Å; G220-G223 PolarHBondContact O-N 2.68Å; F221-G223 PolarHBondContact O-N 2.96Å; G223-N225 PolarHBondContact O-N 2.89Å; G223-T226 PolarHBondContact O-N 2.89Å
224	E	62.7	Low	69.7	Low	179 Å²	179	64 Å²	64	84%	0.836	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-58.6	-34.4	179.7	-66.3	-174.5	166.9	0	0	112	T226	E224-T226 VanDerWaalsContact C-N 3.33Å
225	N	54.6	Low	70.4	Confident	129 Å²	129	58.3 Å²	58.3	69%	0.69	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-90.3	10.4	178.7	-61.3	-22.4	0	0	0	113.4	G223 H230	G223-N225 PolarHBondContact O-N 2.89Å; N225-H230 PolarHBondContact O-CD2 3.31Å
226	T	49.8	Very low	71	Confident	55 Å²	55	56 Å²	56	34%	0.337	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-123.9	20.1	179.4	-22.3	0	0	0	0	111.3	N217 Y222 G223 E224	N217-T226 VanDerWaalsContact CB-O 3.23Å; N217-T226 WeakPolarHBondContact CB-O 3.37Å; N217-T226 PolarHBondContact ND2-O 3.21Å; Y222-T226 WeakPolarHBondContact O-CB 3.26Å; Y222-T226 PolarHBondContact O-OG1 3.04Å; G223-T226 PolarHBondContact O-N 2.89Å; E224-T226 VanDerWaalsContact C-N 3.33Å
227	G	46.5	Very low	71.7	Confident	8 Å²	8	55.9 Å²	55.9	8%	0.082	31%	0.313	C	S	.	.	S	Bend	trans	-145.6	164.7	178.9	0	0	0	0	0	111.4	N217 A229 H230	N217-G227 WeakPolarHBondContact ND2-CA 3.46Å; N217-G227 PolarHBondContact ND2-N 3Å; G227-A229 VanDerWaalsContact C-N 3.26Å; G227-A229 PolarHBondContact O-N 3.04Å; G227-H230 PolarHBondContact O-N 3.23Å
228	A	49	Very low	72.4	Confident	56 Å²	56	59.8 Å²	59.8	46%	0.463	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	40.3	-74.6	-171.2	0	0	0	0	0	114.9	H230 S231 S234	A228-H230 PolarHBondContact O-N 3.06Å; A228-S231 VanDerWaalsContact O-CB 3.32Å; A228-S231 WeakPolarHBondContact O-CB 3.45Å; A228-S231 PolarHBondContact O-N 3.4Å; A228-S231 PolarHBondContact O-OG 2.5Å; A228-S234 WeakPolarHBondContact O-CB 3.19Å; A228-S234 PolarHBondContact O-OG 3.41Å
229	A	48	Very low	73.4	Confident	72 Å²	72	56 Å²	56	60%	0.595	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-52.8	-29.3	172.3	0	0	0	0	0	114.4	G227 S234	G227-A229 VanDerWaalsContact C-N 3.26Å; G227-A229 PolarHBondContact O-N 3.04Å; A229-S234 WeakPolarHBondContact O-CB 3.38Å
230	H	60.1	Low	74.5	Confident	111 Å²	111	53.3 Å²	53.3	51%	0.514	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-116.4	24.3	174.6	-65.4	-83.3	0	0	0	113.4	F174 N225 G227 A228	F174-H230 WeakPolarHBondContact CE1-O 3.49Å; F174-H230 WeakPolarHBondContact CZ-O 3.49Å; N225-H230 PolarHBondContact O-CD2 3.31Å; G227-H230 PolarHBondContact O-N 3.23Å; A228-H230 PolarHBondContact O-N 3.06Å
231	S	81.3	Confident	75.7	Confident	4 Å²	4	52 Å²	52	3%	0.028	29%	0.291	C	S	.	.	S	Bend	trans	-68.8	163	171.6	66.1	0	0	0	0	111.8	Y215 A228 L233 S234 K235	Y215-S231 CarbonylContact O-C 3.53Å; Y215-S231 VanDerWaalsContact O-CA 3.28Å; Y215-S231 WeakPolarHBondContact O-CA 3.19Å; A228-S231 VanDerWaalsContact O-CB 3.32Å; A228-S231 WeakPolarHBondContact O-CB 3.45Å; A228-S231 PolarHBondContact O-N 3.4Å; A228-S231 PolarHBondContact O-OG 2.5Å; S231-L233 PolarHBondContact O-N 3.23Å; S231-S234 PolarHBondContact O-N 3.04Å; S231-S234 VanDerWaalsContact O-N 3.17Å; S231-S234 PolarHBondContact OG-N 3.26Å; S231-S234 VanDerWaalsContact OG-N 3.11Å; S231-S234 PolarHBondContact OG-OG 3.41Å; S231-K235 PolarHBondContact O-N 3.13Å
232	V	87.7	Confident	76.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-50.4	-47.9	170.4	171.7	0	0	0	0	110.5	Y173 F174 F206 Y215 S234 K235 W236 W244	Y173-V232 HydrophobicContact CG-CG2 4.26Å; F174-V232 HydrophobicContact CE1-CG2 4.17Å; F174-V232 HydrophobicContact CE2-CG2 4.38Å; F174-V232 HydrophobicContact CZ-CG2 4.11Å; F206-V232 HydrophobicContact CE1-CG1 4.32Å; F206-V232 HydrophobicContact CZ-CG1 4.31Å; Y215-V232 HydrophobicContact CD1-CG2 3.81Å; Y215-V232 HydrophobicContact CG-CG2 4.13Å; Y215-V232 PolarHBondContact O-N 3.29Å; V232-S234 PolarHBondContact O-N 3.07Å; V232-K235 PolarHBondContact O-N 3.38Å; V232-W236 PolarHBondContact O-N 3.28Å; V232-W236 VanDerWaalsContact O-N 3.15Å; V232-W244 HydrophobicContact CG1-CH2 4.13Å
233	L	88	Confident	78.1	Confident	3 Å²	3	40 Å²	40	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-57.9	-52	177.9	-59.2	172.5	0	0	0	111.2	F206 F216 S231 K235 W236 T237 W244 I260 N263	F206-L233 HydrophobicContact CE2-CD2 4.37Å; F216-L233 HydrophobicContact CE1-CD1 4.27Å; F216-L233 HydrophobicContact CE1-CG 4.23Å; S231-L233 PolarHBondContact O-N 3.23Å; L233-K235 PolarHBondContact O-N 2.87Å; L233-W236 PolarHBondContact O-N 2.81Å; L233-T237 WeakPolarHBondContact O-CB 3.23Å; L233-T237 PolarHBondContact O-N 2.87Å; L233-T237 PolarHBondContact O-OG1 3.43Å; L233-W244 HydrophobicContact CD2-CD2 3.77Å; L233-W244 VanDerWaalsContact CD2-CE2 3.48Å; L233-W244 HydrophobicContact CD2-CE3 4.35Å; L233-W244 HydrophobicContact CD2-CG 4.08Å; L233-W244 HydrophobicContact CD2-CH2 4.39Å; L233-W244 HydrophobicContact CD2-CZ2 3.81Å; L233-I260 HydrophobicContact CD1-CB 4.04Å; L233-I260 HydrophobicContact CD1-CG1 4Å; L233-I260 HydrophobicContact CD1-CG2 3.7Å; L233-I260 HydrophobicContact CD2-CG2 4.19Å; L233-N263 WeakPolarHBondContact CB-OD1 3.4Å; L233-N263 HydrophobicContact CD1-CB 4.17Å
234	S	87.7	Confident	79.6	Confident	5 Å²	5	38.5 Å²	38.5	4%	0.035	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-37.6	-177.3	-72	0	0	0	0	113.2	A228 A229 S231 V232 S238 N263 Y267	A228-S234 WeakPolarHBondContact O-CB 3.19Å; A228-S234 PolarHBondContact O-OG 3.41Å; A229-S234 WeakPolarHBondContact O-CB 3.38Å; S231-S234 PolarHBondContact O-N 3.04Å; S231-S234 VanDerWaalsContact O-N 3.17Å; S231-S234 PolarHBondContact OG-N 3.26Å; S231-S234 VanDerWaalsContact OG-N 3.11Å; S231-S234 PolarHBondContact OG-OG 3.41Å; V232-S234 PolarHBondContact O-N 3.07Å; S234-S238 WeakPolarHBondContact O-CB 3.35Å; S234-S238 PolarHBondContact O-N 3.13Å; S234-S238 PolarHBondContact O-OG 3.12Å; S234-N263 PolarHBondContact OG-ND2 2.85Å; S234-N263 VanDerWaalsContact OG-ND2 3.16Å; S234-Y267 VanDerWaalsContact CA-OH 3.29Å; S234-Y267 WeakPolarHBondContact CA-OH 3.47Å; S234-Y267 VanDerWaalsContact CB-OH 3.27Å; S234-Y267 WeakPolarHBondContact CB-OH 3.41Å; S234-Y267 PolarHBondContact OG-OH 2.8Å
235	K	91.2	Very high	81.2	Confident	45 Å²	45	30 Å²	30	20%	0.196	19%	0.187	C	C	.	.	H	α-helix	trans	-56.9	-61.4	173.4	177.5	177.6	174.7	170.3	0	110.1	F174 E183 S231 V232 L233 S238 M239	F174-K235 HydrophobicContact CD1-CD 3.92Å; F174-K235 PolarHBondContact O-NZ 3.37Å; E183-K235 IonicContact OE1-NZ 2.73Å; E183-K235 PolarHBondContact OE1-NZ 3.09Å; E183-K235 WeakPolarHBondContact OE2-CE 3.3Å; E183-K235 IonicContact OE2-NZ 2.9Å; E183-K235 PolarHBondContact OE2-NZ 3.26Å; S231-K235 PolarHBondContact O-N 3.13Å; V232-K235 PolarHBondContact O-N 3.38Å; L233-K235 PolarHBondContact O-N 2.87Å; K235-S238 PolarHBondContact O-N 3.42Å; K235-S238 PolarHBondContact O-OG 2.99Å; K235-M239 VanDerWaalsContact CE-CE 3.43Å; K235-M239 HydrophobicContact CG-CE 4.25Å; K235-M239 WeakPolarHBondContact O-CG 3.4Å; K235-M239 PolarHBondContact O-N 2.98Å
236	W	94.9	Very high	83.3	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-75.8	-35.3	-170	-55.9	113.6	0	0	0	112.9	F160 Y173 V176 E183 F186 L202 V232 L233 S238 M239 G240 V241 W244	F160-W236 AromaticContact CD1-CZ2 3.92Å; F160-W236 HydrophobicContact CD1-CZ2 3.92Å; F160-W236 AromaticContact CE1-CD1 3.73Å; F160-W236 AromaticContact CE1-CD2 3.92Å; F160-W236 HydrophobicContact CE1-CD2 3.92Å; F160-W236 AromaticContact CE1-CE2 3.36Å; F160-W236 HydrophobicContact CE1-CG 4.17Å; F160-W236 AromaticContact CE1-CZ2 3.7Å; F160-W236 HydrophobicContact CE1-CZ2 3.7Å; F160-W236 AromaticContact CE1-NE1 3.24Å; F160-W236 AromaticContact CZ-CD1 3.83Å; F160-W236 HydrophobicContact CZ-CG 4.4Å; F160-W236 AromaticContact CZ-NE1 3.74Å; Y173-W236 WeakPolarHBondContact O-CZ2 3.22Å; Y173-W236 PolarHBondContact O-NE1 2.97Å; V176-W236 HydrophobicContact CG1-CH2 3.7Å; V176-W236 HydrophobicContact CG1-CZ3 3.92Å; E183-W236 HydrophobicContact CG-CH2 4.29Å; F186-W236 HydrophobicContact CD1-CE3 4.18Å; F186-W236 HydrophobicContact CD1-CZ3 4.02Å; F186-W236 HydrophobicContact CE1-CE3 4.01Å; F186-W236 HydrophobicContact CE1-CZ3 4.29Å; L202-W236 HydrophobicContact CD1-CB 4.42Å; V232-W236 PolarHBondContact O-N 3.28Å; V232-W236 VanDerWaalsContact O-N 3.15Å; L233-W236 PolarHBondContact O-N 2.81Å; W236-S238 VanDerWaalsContact C-N 3.32Å; W236-S238 PolarHBondContact O-N 3.45Å; W236-M239 HydrophobicContact CD2-SD 4.34Å; W236-M239 HydrophobicContact CE3-CE 4.36Å; W236-M239 HydrophobicContact CE3-SD 3.32Å; W236-M239 HydrophobicContact CZ3-CE 4.1Å; W236-M239 HydrophobicContact CZ3-SD 3.49Å; W236-M239 WeakPolarHBondContact CZ3-SD 3.48Å; W236-M239 WeakPolarHBondContact O-CA 3.21Å; W236-M239 WeakPolarHBondContact O-CB 3.28Å; W236-M239 PolarHBondContact O-N 3.36Å; W236-G240 PolarHBondContact O-N 2.88Å; W236-V241 HydrophobicContact CB-CG2 4.08Å; W236-V241 WeakPolarHBondContact O-CB 3.34Å; W236-V241 WeakPolarHBondContact O-CG2 3.5Å; W236-V241 PolarHBondContact O-N 2.95Å; W236-W244 HydrophobicContact CB-CH2 4.12Å; W236-W244 HydrophobicContact CB-CZ2 3.88Å; W236-W244 AromaticContact CD1-CH2 3.87Å; W236-W244 HydrophobicContact CG-CH2 4.3Å; W236-W244 HydrophobicContact CG-CZ2 4.49Å
237	T	94.2	Very high	85.4	Confident	6 Å²	6	22 Å²	22	4%	0.037	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-35.9	173.5	-61.2	0	0	0	0	111.4	L233 M239 G240 W244 L264 Y267 K270	L233-T237 WeakPolarHBondContact O-CB 3.23Å; L233-T237 PolarHBondContact O-N 2.87Å; L233-T237 PolarHBondContact O-OG1 3.43Å; T237-M239 PolarHBondContact O-N 3.14Å; T237-G240 PolarHBondContact O-N 3.47Å; T237-G240 VanDerWaalsContact O-N 3.13Å; T237-W244 PolarHBondContact OG1-NE1 2.75Å; T237-W244 VanDerWaalsContact OG1-NE1 3.14Å; T237-L264 HydrophobicContact CG2-CD2 4.39Å; T237-Y267 HydrophobicContact CG2-CD1 3.7Å; T237-Y267 HydrophobicContact CG2-CD2 3.75Å; T237-Y267 HydrophobicContact CG2-CE1 3.98Å; T237-Y267 HydrophobicContact CG2-CE2 4.04Å; T237-Y267 HydrophobicContact CG2-CG 3.57Å; T237-K270 HydrophobicContact CG2-CD 4.13Å; T237-K270 HydrophobicContact CG2-CG 4.16Å
238	S	92.4	Very high	87.7	Confident	84 Å²	84	23.1 Å²	23.1	59%	0.587	15%	0.147	S	C	*	.	H	α-helix	trans	-68.8	-21.2	172	76.2	0	0	0	0	113.9	S234 K235 W236	S234-S238 WeakPolarHBondContact O-CB 3.35Å; S234-S238 PolarHBondContact O-N 3.13Å; S234-S238 PolarHBondContact O-OG 3.12Å; K235-S238 PolarHBondContact O-N 3.42Å; K235-S238 PolarHBondContact O-OG 2.99Å; W236-S238 VanDerWaalsContact C-N 3.32Å; W236-S238 PolarHBondContact O-N 3.45Å
239	M	94.2	Very high	89.8	Confident	16 Å²	16	20.5 Å²	20.5	8%	0.079	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.4	172.7	-66.5	-179	163.7	0	0	113.3	E183 R187 K235 W236 T237	E183-M239 WeakPolarHBondContact OE2-CE 3.25Å; R187-M239 VanDerWaalsContact CZ-CE 3.49Å; K235-M239 VanDerWaalsContact CE-CE 3.43Å; K235-M239 HydrophobicContact CG-CE 4.25Å; K235-M239 WeakPolarHBondContact O-CG 3.4Å; K235-M239 PolarHBondContact O-N 2.98Å; W236-M239 HydrophobicContact CD2-SD 4.34Å; W236-M239 HydrophobicContact CE3-CE 4.36Å; W236-M239 HydrophobicContact CE3-SD 3.32Å; W236-M239 HydrophobicContact CZ3-CE 4.1Å; W236-M239 HydrophobicContact CZ3-SD 3.49Å; W236-M239 WeakPolarHBondContact CZ3-SD 3.48Å; W236-M239 WeakPolarHBondContact O-CA 3.21Å; W236-M239 WeakPolarHBondContact O-CB 3.28Å; W236-M239 PolarHBondContact O-N 3.36Å; T237-M239 PolarHBondContact O-N 3.14Å
240	G	96.2	Very high	91.9	Very high	15 Å²	15	18.5 Å²	18.5	16%	0.155	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.1	5.7	177	0	0	0	0	0	115.1	H194 W236 T237 D242	H194-G240 PolarHBondContact CE1-O 3.16Å; H194-G240 PolarHBondContact NE2-O 3.31Å; W236-G240 PolarHBondContact O-N 2.88Å; T237-G240 PolarHBondContact O-N 3.47Å; T237-G240 VanDerWaalsContact O-N 3.13Å; G240-D242 PolarHBondContact O-N 3.26Å
241	V	98	Very high	93.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.			trans	-60.4	133.5	171.3	173.4	0	0	0	0	110.2	F186 L202 W236 G243 K270	F186-V241 HydrophobicContact CE1-CG2 4.41Å; F186-V241 HydrophobicContact CZ-CG2 4.39Å; L202-V241 HydrophobicContact CB-CG1 4.37Å; L202-V241 HydrophobicContact CD1-CG1 4.24Å; L202-V241 HydrophobicContact CD1-CG2 3.56Å; L202-V241 HydrophobicContact CG-CG1 3.9Å; L202-V241 HydrophobicContact CG-CG2 3.85Å; W236-V241 HydrophobicContact CB-CG2 4.08Å; W236-V241 WeakPolarHBondContact O-CB 3.34Å; W236-V241 WeakPolarHBondContact O-CG2 3.5Å; W236-V241 PolarHBondContact O-N 2.95Å; V241-G243 WeakPolarHBondContact CG1-O 3.5Å; V241-K270 WeakPolarHBondContact O-CE 3.38Å; V241-K270 PolarHBondContact O-NZ 2.97Å
242	D	98.4	Very high	93.9	Very high	20 Å²	20	16.5 Å²	16.5	11%	0.107	10%	0.096	C	C	.	.			trans	-96.5	-17.2	-172.4	-62	-56.5	0	0	0	114.1	W76 H194 A199 V200 G240 K270 I271	W76-D242 HydrophobicContact CH2-CB 3.93Å; W76-D242 HydrophobicContact CZ2-CB 3.71Å; H194-D242 IonicContact CD2-OD2 2.99Å; H194-D242 IonicContact CE1-OD2 3.76Å; H194-D242 IonicContact NE2-OD1 3.59Å; H194-D242 IonicContact NE2-OD2 2.79Å; H194-D242 PolarHBondContact NE2-OD2 2.86Å; A199-D242 WeakPolarHBondContact CA-OD2 3.06Å; A199-D242 HydrophobicContact CB-CB 4.08Å; V200-D242 PolarHBondContact N-OD2 2.86Å; V200-D242 WeakPolarHBondContact O-CA 3.38Å; V200-D242 WeakPolarHBondContact O-CB 2.8Å; V200-D242 PolarHBondContact O-N 2.6Å; G240-D242 PolarHBondContact O-N 3.26Å; D242-K270 VanDerWaalsContact O-CA 3.31Å; D242-K270 WeakPolarHBondContact O-CA 3.38Å; D242-K270 VanDerWaalsContact O-CD 3.25Å; D242-K270 WeakPolarHBondContact O-CD 3.26Å; D242-K270 IonicContact OD1-NZ 3.38Å; D242-K270 PolarHBondContact OD1-NZ 3.29Å; D242-I271 PolarHBondContact O-N 3.5Å; D242-I271 VanDerWaalsContact O-N 3.17Å
243	G	98	Very high	94.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-177.2	172.2	0	0	0	0	0	113.5	V200 V201 L202 V241 I271	V200-G243 PolarHBondContact O-N 3.23Å; V201-G243 WeakPolarHBondContact CA-O 3.34Å; L202-G243 PolarHBondContact N-O 3.34Å; L202-G243 VanDerWaalsContact N-O 3.14Å; V241-G243 WeakPolarHBondContact CG1-O 3.5Å; G243-I271 CarbonylContact C-O 3.52Å; G243-I271 WeakPolarHBondContact CA-O 3.19Å
244	W	98.1	Very high	94.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.1	-178.5	-66.5	86.4	0	0	0	110.3	F160 L202 F206 V232 L233 W236 T237 I271 L272 I273	F160-W244 HydrophobicContact CE2-CH2 4.46Å; F160-W244 HydrophobicContact CE2-CZ3 4.16Å; F160-W244 AromaticContact CZ-CH2 3.91Å; F160-W244 HydrophobicContact CZ-CH2 3.91Å; F160-W244 HydrophobicContact CZ-CZ3 4.01Å; L202-W244 HydrophobicContact CB-CE3 4.04Å; L202-W244 HydrophobicContact CB-CH2 4.49Å; L202-W244 HydrophobicContact CB-CZ3 3.97Å; L202-W244 HydrophobicContact CD1-CH2 4.3Å; L202-W244 WeakPolarHBondContact O-CA 3.44Å; F206-W244 HydrophobicContact CZ-CE3 4.32Å; F206-W244 HydrophobicContact CZ-CZ3 4.03Å; V232-W244 HydrophobicContact CG1-CH2 4.13Å; L233-W244 HydrophobicContact CD2-CD2 3.77Å; L233-W244 VanDerWaalsContact CD2-CE2 3.48Å; L233-W244 HydrophobicContact CD2-CE3 4.35Å; L233-W244 HydrophobicContact CD2-CG 4.08Å; L233-W244 HydrophobicContact CD2-CH2 4.39Å; L233-W244 HydrophobicContact CD2-CZ2 3.81Å; W236-W244 HydrophobicContact CB-CH2 4.12Å; W236-W244 HydrophobicContact CB-CZ2 3.88Å; W236-W244 AromaticContact CD1-CH2 3.87Å; W236-W244 HydrophobicContact CG-CH2 4.3Å; W236-W244 HydrophobicContact CG-CZ2 4.49Å; T237-W244 PolarHBondContact OG1-NE1 2.75Å; T237-W244 VanDerWaalsContact OG1-NE1 3.14Å; W244-I271 PolarHBondContact N-O 3.09Å; W244-L272 HydrophobicContact CB-CD1 3.82Å; W244-I273 PolarHBondContact O-N 2.82Å
245	R	98.1	Very high	94.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.7	162	177.3	-88	-167.7	179.7	-1.5	106.9	Y155 V201 L202 D203 G204 D247 I273 E275 M302 D350	Y155-R245 HydrophobicContact CE1-CG 4.46Å; Y155-R245 HydrophobicContact CE2-CB 4.2Å; Y155-R245 HydrophobicContact CE2-CG 4.3Å; Y155-R245 VanDerWaalsContact OH-CD 3.28Å; Y155-R245 WeakPolarHBondContact OH-CD 3.32Å; Y155-R245 VanDerWaalsContact OH-CZ 3.29Å; Y155-R245 PolarHBondContact OH-NE 2.91Å; V201-R245 HydrophobicContact CG1-CB 4.15Å; L202-R245 PolarHBondContact O-N 2.82Å; D203-R245 CarbonylContact C-O 3.6Å; D203-R245 WeakPolarHBondContact CA-O 3.38Å; D203-R245 VanDerWaalsContact CG-NH1 3.28Å; D203-R245 VanDerWaalsContact OD1-CD 3.23Å; D203-R245 WeakPolarHBondContact OD1-CD 3.47Å; D203-R245 IonicContact OD1-CZ 3.83Å; D203-R245 IonicContact OD1-NE 2.63Å; D203-R245 IonicContact OD1-NH1 2.74Å; D203-R245 PolarHBondContact OD1-NH1 3.22Å; D203-R245 IonicContact OD2-CZ 3.41Å; D203-R245 IonicContact OD2-NH1 3.82Å; D203-R245 PolarHBondContact OD2-NH1 3.49Å; G204-R245 PolarHBondContact N-O 2.89Å; R245-D247 IonicContact CZ-OD1 3.55Å; R245-D247 VanDerWaalsContact NH1-CA 3.35Å; R245-D247 IonicContact NH1-OD1 3.01Å; R245-D247 PolarHBondContact NH1-OD1 2.98Å; R245-D247 IonicContact NH2-OD1 2.97Å; R245-I273 CarbonylContact C-O 3.52Å; R245-I273 WeakPolarHBondContact CA-O 3.38Å; R245-I273 HydrophobicContact CB-CD1 4.23Å; R245-I273 HydrophobicContact CB-CG1 3.9Å; R245-I273 HydrophobicContact CG-CD1 4.39Å; R245-I273 HydrophobicContact CG-CG1 4.21Å; R245-E275 IonicContact CZ-OE2 2.68Å; R245-E275 IonicContact NH1-OE2 2.84Å; R245-E275 VanDerWaalsContact NH2-CG 3.27Å; R245-E275 IonicContact NH2-OE1 3.61Å; R245-E275 IonicContact NH2-OE2 2.87Å; R245-E275 PolarHBondContact NH2-OE2 3.47Å; R245-M302 HydrophobicContact CG-SD 4.39Å; R245-M302 PolarHBondContact NE-SD 2.84Å; R245-M302 VanDerWaalsContact NE-SD 3.37Å; R245-D350 IonicContact NH2-OD2 3.73Å
246	L	97.4	Very high	94.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	118.3	176.5	-57.7	-175.6	0	0	0	109.6	F206 A249 L252 I257 I260 L272 I273 E275 L298	F206-L246 HydrophobicContact CD2-CD2 3.96Å; F206-L246 HydrophobicContact CE2-CD2 4Å; L246-A249 HydrophobicContact CB-CB 4.41Å; L246-L252 HydrophobicContact CB-CD1 4.18Å; L246-L252 HydrophobicContact CD1-CD1 3.88Å; L246-L252 HydrophobicContact CG-CD1 4.47Å; L246-I257 HydrophobicContact CD1-CG1 4.19Å; L246-I257 HydrophobicContact CD1-CG2 4.37Å; L246-I260 HydrophobicContact CD1-CD1 3.94Å; L246-I260 HydrophobicContact CD2-CD1 3.89Å; L246-L272 HydrophobicContact CD1-CD1 3.94Å; L246-L272 HydrophobicContact CD1-CD2 4.4Å; L246-L272 HydrophobicContact CD1-CG 4.39Å; L246-L272 HydrophobicContact CD2-CD1 3.93Å; L246-L272 HydrophobicContact CG-CD1 3.72Å; L246-I273 PolarHBondContact N-O 3.03Å; L246-E275 WeakPolarHBondContact O-CB 3.3Å; L246-E275 PolarHBondContact O-N 2.55Å; L246-L298 HydrophobicContact CD1-CD2 4.1Å
247	D	95.3	Very high	94.3	Very high	17 Å²	17	24.5 Å²	24.5	9%	0.091	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	142.5	169.7	-167.2	60.7	0	0	0	110.4	Y168 G204 V205 R245 A249 E275	Y168-D247 HydrophobicContact CE1-CB 4.33Å; Y168-D247 WeakPolarHBondContact CE1-OD1 3.33Å; G204-D247 PolarHBondContact O-N 2.94Å; V205-D247 HydrophobicContact CB-CB 4.23Å; V205-D247 HydrophobicContact CG1-CB 4.31Å; V205-D247 HydrophobicContact CG2-CB 3.93Å; R245-D247 IonicContact CZ-OD1 3.55Å; R245-D247 VanDerWaalsContact NH1-CA 3.35Å; R245-D247 IonicContact NH1-OD1 3.01Å; R245-D247 PolarHBondContact NH1-OD1 2.98Å; R245-D247 IonicContact NH2-OD1 2.97Å; D247-A249 VanDerWaalsContact C-N 3.29Å; D247-A249 PolarHBondContact O-N 2.94Å; D247-A249 VanDerWaalsContact O-N 3.16Å; D247-E275 VanDerWaalsContact OD1-OE2 3.06Å
248	V	92.8	Very high	94.2	Very high	32 Å²	32	25.3 Å²	25.3	19%	0.194	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	37.5	59.1	179	-76.1	0	0	0	0	112.3	D250 E251 E275	V248-D250 PolarHBondContact O-N 3.37Å; V248-E251 HydrophobicContact CB-CB 4.34Å; V248-E251 HydrophobicContact CB-CG 4Å; V248-E251 HydrophobicContact CG2-CB 4.33Å; V248-E251 HydrophobicContact CG2-CG 4.3Å; V248-E251 WeakPolarHBondContact O-CB 3.47Å; V248-E251 PolarHBondContact O-N 3.38Å; V248-E275 PolarHBondContact N-OE2 3.46Å
249	A	93.5	Very high	94	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-59.2	-22.9	-173.2	0	0	0	0	0	112.3	L246 D247 E251 L252 E275 V276 Y292 L298	L246-A249 HydrophobicContact CB-CB 4.41Å; D247-A249 VanDerWaalsContact C-N 3.29Å; D247-A249 PolarHBondContact O-N 2.94Å; D247-A249 VanDerWaalsContact O-N 3.16Å; A249-E251 VanDerWaalsContact C-N 3.32Å; A249-L252 PolarHBondContact O-N 3.25Å; A249-E275 WeakPolarHBondContact CB-O 3.49Å; A249-E275 PolarHBondContact N-O 3.13Å; A249-V276 HydrophobicContact CB-CG2 4.17Å; A249-Y292 VanDerWaalsContact C-OH 3.31Å; A249-Y292 PolarHBondContact O-OH 3.09Å; A249-Y292 VanDerWaalsContact O-OH 3.09Å; A249-L298 HydrophobicContact CB-CD1 4.38Å
250	D	91.8	Very high	93.9	Very high	31 Å²	31	21.9 Å²	21.9	17%	0.166	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-74	-13.3	174.8	65.8	-16	0	0	0	116	V248 K283 A285 Y292	V248-D250 PolarHBondContact O-N 3.37Å; D250-K283 VanDerWaalsContact OD2-CE 3.28Å; D250-K283 WeakPolarHBondContact OD2-CE 3.49Å; D250-K283 IonicContact OD2-NZ 2.99Å; D250-K283 PolarHBondContact OD2-NZ 3.27Å; D250-A285 HydrophobicContact CB-CB 3.72Å; D250-Y292 WeakPolarHBondContact CA-OH 3.34Å; D250-Y292 PolarHBondContact N-OH 3.17Å
251	E	91.9	Very high	93.7	Very high	66 Å²	66	22.1 Å²	22.1	31%	0.308	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-87.6	-17.1	169.2	-61.6	-165.9	168.4	0	0	113.2	S207 V248 A249 Y286	S207-E251 WeakPolarHBondContact CB-OE2 3.2Å; S207-E251 PolarHBondContact OG-OE2 3.02Å; V248-E251 HydrophobicContact CB-CB 4.34Å; V248-E251 HydrophobicContact CB-CG 4Å; V248-E251 HydrophobicContact CG2-CB 4.33Å; V248-E251 HydrophobicContact CG2-CG 4.3Å; V248-E251 WeakPolarHBondContact O-CB 3.47Å; V248-E251 PolarHBondContact O-N 3.38Å; A249-E251 VanDerWaalsContact C-N 3.32Å; E251-Y286 HydrophobicContact CB-CE2 4.49Å; E251-Y286 HydrophobicContact CG-CE2 3.97Å; E251-Y286 PolarHBondContact OE1-OH 2.89Å
252	L	91.7	Very high	93.3	Very high	7 Å²	7	30 Å²	30	4%	0.037	16%	0.162	C	C	.	.	S	Bend	trans	-84.2	143.2	177.4	-58.6	178.8	0	0	0	110.8	F206 L246 A249 F256 I257 R290	F206-L252 HydrophobicContact CB-CD2 4.03Å; F206-L252 WeakPolarHBondContact O-CD2 3.43Å; L246-L252 HydrophobicContact CB-CD1 4.18Å; L246-L252 HydrophobicContact CD1-CD1 3.88Å; L246-L252 HydrophobicContact CG-CD1 4.47Å; A249-L252 PolarHBondContact O-N 3.25Å; L252-F256 HydrophobicContact CB-CD1 4.32Å; L252-F256 HydrophobicContact CD1-CD1 4.4Å; L252-F256 HydrophobicContact CD2-CD1 3.9Å; L252-F256 HydrophobicContact CD2-CE1 3.97Å; L252-F256 HydrophobicContact CG-CD1 4.44Å; L252-I257 HydrophobicContact CB-CD1 4.1Å; L252-I257 HydrophobicContact CB-CG1 3.93Å; L252-I257 HydrophobicContact CD1-CG1 4.29Å; L252-R290 PolarHBondContact O-NH1 3.02Å; L252-R290 PolarHBondContact O-NH2 2.9Å
253	T	91.7	Very high	92.9	Very high	82 Å²	82	30.1 Å²	30.1	50%	0.503	16%	0.163	S	C	.	.			trans	-72	150.1	173	60.1	0	0	0	0	111.9	D255 F256 I257	T253-D255 PolarHBondContact O-N 3.33Å; T253-F256 WeakPolarHBondContact O-CB 3.47Å; T253-F256 PolarHBondContact O-N 2.82Å; T253-F256 VanDerWaalsContact OG1-CB 3.26Å; T253-F256 WeakPolarHBondContact OG1-CB 3.23Å; T253-F256 PolarHBondContact OG1-N 3.37Å; T253-I257 PolarHBondContact O-N 3.16Å; T253-I257 VanDerWaalsContact O-N 3.14Å
254	D	92.5	Very high	92.6	Very high	15 Å²	15	30.2 Å²	30.2	8%	0.08	16%	0.163	C	C	.	.	H	α-helix	trans	-56.3	-46.4	179.3	-74.7	-34.3	0	0	0	111.9	F256 I257 A258 R290 K291 H297	D254-F256 PolarHBondContact O-N 2.93Å; D254-F256 VanDerWaalsContact O-N 3.12Å; D254-I257 PolarHBondContact O-N 3.37Å; D254-I257 VanDerWaalsContact O-N 3.09Å; D254-A258 WeakPolarHBondContact O-CB 3.39Å; D254-A258 PolarHBondContact O-N 2.77Å; D254-R290 VanDerWaalsContact CG-NH2 3.32Å; D254-R290 IonicContact OD1-CZ 2.84Å; D254-R290 VanDerWaalsContact OD1-CZ 3.27Å; D254-R290 IonicContact OD1-NE 3.26Å; D254-R290 PolarHBondContact OD1-NE 3.4Å; D254-R290 IonicContact OD1-NH2 3.64Å; D254-R290 PolarHBondContact OD1-NH2 3.06Å; D254-R290 IonicContact OD2-NE 3.31Å; D254-R290 IonicContact OD2-NH2 3.72Å; D254-K291 HydrophobicContact CB-CB 4.38Å; D254-K291 HydrophobicContact CB-CD 4.42Å; D254-K291 PolarHBondContact OD1-N 3.45Å; D254-K291 VanDerWaalsContact OD1-N 3.13Å; D254-K291 PolarHBondContact OD2-N 3.05Å; D254-H297 WeakPolarHBondContact CB-NE2 3.31Å; D254-H297 PolarHBondContact O-CD2 3.07Å; D254-H297 PolarHBondContact O-NE2 2.79Å
255	D	90.3	Very high	92.2	Very high	116 Å²	116	34.8 Å²	34.8	62%	0.62	19%	0.187	S	C	*	.	H	α-helix	trans	-54.5	-34.9	175.2	-72.8	-6.1	0	0	0	113.4	T253 G259	T253-D255 PolarHBondContact O-N 3.33Å; D255-G259 PolarHBondContact O-N 2.82Å
256	F	90.3	Very high	91.9	Very high	8 Å²	8	39 Å²	39	4%	0.035	22%	0.216	C	C	.	.	H	α-helix	trans	-73.8	-44.6	179.9	-172.6	-118.8	0	0	0	110.8	F206 K211 F216 I218 L252 T253 D254 A258 G259 I260	F206-F256 HydrophobicContact CB-CE1 3.95Å; F206-F256 HydrophobicContact CB-CZ 4.48Å; K211-F256 HydrophobicContact CB-CD2 3.57Å; K211-F256 HydrophobicContact CB-CE2 3.86Å; F216-F256 HydrophobicContact CB-CE2 4.35Å; F216-F256 AromaticContact CD1-CE2 3.95Å; F216-F256 HydrophobicContact CD1-CE2 3.95Å; F216-F256 AromaticContact CD1-CZ 3.92Å; F216-F256 HydrophobicContact CD1-CZ 3.92Å; F216-F256 HydrophobicContact CD2-CE2 4.06Å; F216-F256 AromaticContact CD2-CZ 3.76Å; F216-F256 HydrophobicContact CD2-CZ 3.76Å; F216-F256 HydrophobicContact CE1-CE2 4.26Å; F216-F256 AromaticContact CE1-CZ 3.77Å; F216-F256 HydrophobicContact CE1-CZ 3.77Å; F216-F256 HydrophobicContact CE2-CE2 4.38Å; F216-F256 AromaticContact CE2-CZ 3.63Å; F216-F256 HydrophobicContact CE2-CZ 3.63Å; F216-F256 AromaticContact CG-CE2 3.84Å; F216-F256 HydrophobicContact CG-CE2 3.84Å; F216-F256 AromaticContact CG-CZ 3.91Å; F216-F256 HydrophobicContact CG-CZ 3.91Å; F216-F256 HydrophobicContact CZ-CE1 4.45Å; F216-F256 HydrophobicContact CZ-CE2 4.47Å; F216-F256 AromaticContact CZ-CZ 3.64Å; F216-F256 HydrophobicContact CZ-CZ 3.64Å; I218-F256 HydrophobicContact CD1-CD2 4.13Å; I218-F256 HydrophobicContact CD1-CE2 4.36Å; L252-F256 HydrophobicContact CB-CD1 4.32Å; L252-F256 HydrophobicContact CD1-CD1 4.4Å; L252-F256 HydrophobicContact CD2-CD1 3.9Å; L252-F256 HydrophobicContact CD2-CE1 3.97Å; L252-F256 HydrophobicContact CG-CD1 4.44Å; T253-F256 WeakPolarHBondContact O-CB 3.47Å; T253-F256 PolarHBondContact O-N 2.82Å; T253-F256 VanDerWaalsContact OG1-CB 3.26Å; T253-F256 WeakPolarHBondContact OG1-CB 3.23Å; T253-F256 PolarHBondContact OG1-N 3.37Å; D254-F256 PolarHBondContact O-N 2.93Å; D254-F256 VanDerWaalsContact O-N 3.12Å; F256-A258 PolarHBondContact O-N 3.36Å; F256-G259 WeakPolarHBondContact O-CA 3.32Å; F256-G259 PolarHBondContact O-N 2.88Å; F256-G259 VanDerWaalsContact O-N 3.11Å; F256-I260 HydrophobicContact CD1-CD1 4.19Å; F256-I260 HydrophobicContact CE1-CD1 3.95Å; F256-I260 HydrophobicContact CZ-CD1 4.41Å; F256-I260 WeakPolarHBondContact O-CG1 3.34Å; F256-I260 PolarHBondContact O-N 2.91Å
257	I	93.1	Very high	91.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-45.4	174.7	-62.3	171.8	0	0	0	110.5	L246 L252 T253 D254 G259 I260 R261 L272 Y292 H297 L298	L246-I257 HydrophobicContact CD1-CG1 4.19Å; L246-I257 HydrophobicContact CD1-CG2 4.37Å; L252-I257 HydrophobicContact CB-CD1 4.1Å; L252-I257 HydrophobicContact CB-CG1 3.93Å; L252-I257 HydrophobicContact CD1-CG1 4.29Å; T253-I257 PolarHBondContact O-N 3.16Å; T253-I257 VanDerWaalsContact O-N 3.14Å; D254-I257 PolarHBondContact O-N 3.37Å; D254-I257 VanDerWaalsContact O-N 3.09Å; I257-G259 PolarHBondContact O-N 3.33Å; I257-I260 WeakPolarHBondContact O-CB 3.37Å; I257-I260 PolarHBondContact O-N 3.11Å; I257-I260 VanDerWaalsContact O-N 3.15Å; I257-R261 WeakPolarHBondContact O-CB 3.25Å; I257-R261 PolarHBondContact O-N 2.85Å; I257-L272 HydrophobicContact CG2-CD2 4.36Å; I257-Y292 HydrophobicContact CD1-CD1 4.05Å; I257-Y292 HydrophobicContact CD1-CE1 3.53Å; I257-H297 HydrophobicContact CG2-CB 3.89Å; I257-L298 HydrophobicContact CG2-CD2 3.76Å; I257-L298 HydrophobicContact CG2-CG 4.14Å
258	A	92.5	Very high	91.5	Very high	23 Å²	23	49.5 Å²	49.5	19%	0.19	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-36.2	174.5	0	0	0	0	0	112	D254 F256 R261 K262	D254-A258 WeakPolarHBondContact O-CB 3.39Å; D254-A258 PolarHBondContact O-N 2.77Å; F256-A258 PolarHBondContact O-N 3.36Å; A258-R261 PolarHBondContact O-N 3.09Å; A258-K262 VanDerWaalsContact O-CB 3.27Å; A258-K262 WeakPolarHBondContact O-CB 3.39Å; A258-K262 PolarHBondContact O-N 3.32Å
259	G	88.9	Confident	91.6	Very high	25 Å²	25	53 Å²	53	26%	0.258	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-45.5	172.6	0	0	0	0	0	113.3	D255 F256 I257 K262 N263	D255-G259 PolarHBondContact O-N 2.82Å; F256-G259 WeakPolarHBondContact O-CA 3.32Å; F256-G259 PolarHBondContact O-N 2.88Å; F256-G259 VanDerWaalsContact O-N 3.11Å; I257-G259 PolarHBondContact O-N 3.33Å; G259-K262 PolarHBondContact O-N 2.7Å; G259-N263 PolarHBondContact O-N 2.79Å
260	I	91.5	Very high	91.7	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-49	173.8	-62.8	175.7	0	0	0	109.5	F206 L233 L246 F256 I257 K262 N263 L264 L272	F206-I260 HydrophobicContact CD2-CD1 4.12Å; F206-I260 HydrophobicContact CE2-CD1 4.48Å; L233-I260 HydrophobicContact CD1-CB 4.04Å; L233-I260 HydrophobicContact CD1-CG1 4Å; L233-I260 HydrophobicContact CD1-CG2 3.7Å; L233-I260 HydrophobicContact CD2-CG2 4.19Å; L246-I260 HydrophobicContact CD1-CD1 3.94Å; L246-I260 HydrophobicContact CD2-CD1 3.89Å; F256-I260 HydrophobicContact CD1-CD1 4.19Å; F256-I260 HydrophobicContact CE1-CD1 3.95Å; F256-I260 HydrophobicContact CZ-CD1 4.41Å; F256-I260 WeakPolarHBondContact O-CG1 3.34Å; F256-I260 PolarHBondContact O-N 2.91Å; I257-I260 WeakPolarHBondContact O-CB 3.37Å; I257-I260 PolarHBondContact O-N 3.11Å; I257-I260 VanDerWaalsContact O-N 3.15Å; I260-K262 VanDerWaalsContact C-N 3.34Å; I260-K262 PolarHBondContact O-N 3.01Å; I260-N263 WeakPolarHBondContact O-CB 3.11Å; I260-N263 PolarHBondContact O-N 3.33Å; I260-N263 VanDerWaalsContact O-N 3.16Å; I260-L264 HydrophobicContact CG2-CD1 4.08Å; I260-L264 WeakPolarHBondContact O-CG 3.47Å; I260-L264 PolarHBondContact O-N 3.17Å; I260-L272 HydrophobicContact CB-CD2 4.21Å; I260-L272 HydrophobicContact CG2-CD1 3.76Å; I260-L272 HydrophobicContact CG2-CD2 3.74Å; I260-L272 HydrophobicContact CG2-CG 4.42Å
261	R	92.2	Very high	92	Very high	20 Å²	20	53 Å²	53	8%	0.075	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-46.4	179.1	-176.3	58.1	174.7	145.4	0.4	111.6	I257 A258 N263 L264 L265 L272 D296 H297	I257-R261 WeakPolarHBondContact O-CB 3.25Å; I257-R261 PolarHBondContact O-N 2.85Å; A258-R261 PolarHBondContact O-N 3.09Å; R261-N263 VanDerWaalsContact C-N 3.33Å; R261-N263 PolarHBondContact O-N 3.04Å; R261-L264 PolarHBondContact O-N 2.75Å; R261-L265 WeakPolarHBondContact O-CG 3.24Å; R261-L265 PolarHBondContact O-N 3.16Å; R261-L272 HydrophobicContact CB-CD2 3.99Å; R261-D296 WeakPolarHBondContact CB-O 3.39Å; R261-D296 VanDerWaalsContact CG-O 3.3Å; R261-D296 WeakPolarHBondContact CG-O 3.26Å; R261-H297 WeakPolarHBondContact CD-O 3.38Å; R261-H297 WeakPolarHBondContact CG-O 3.42Å
262	K	90.4	Very high	92.3	Very high	164 Å²	164	49.8 Å²	49.8	71%	0.713	26%	0.261	S	S	*	.	H	α-helix	trans	-59.9	-40.6	176.7	-175.5	-180	179.8	-178.8	0	112.4	A258 G259 I260 L265	A258-K262 VanDerWaalsContact O-CB 3.27Å; A258-K262 WeakPolarHBondContact O-CB 3.39Å; A258-K262 PolarHBondContact O-N 3.32Å; G259-K262 PolarHBondContact O-N 2.7Å; I260-K262 VanDerWaalsContact C-N 3.34Å; I260-K262 PolarHBondContact O-N 3.01Å; K262-L265 PolarHBondContact O-N 3.02Å
263	N	88.1	Confident	92.6	Very high	24 Å²	24	49.5 Å²	49.5	13%	0.128	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-46.6	174.3	180	-85.5	0	0	0	111.1	L233 S234 G259 I260 R261 L265 S266 Y267	L233-N263 WeakPolarHBondContact CB-OD1 3.4Å; L233-N263 HydrophobicContact CD1-CB 4.17Å; S234-N263 PolarHBondContact OG-ND2 2.85Å; S234-N263 VanDerWaalsContact OG-ND2 3.16Å; G259-N263 PolarHBondContact O-N 2.79Å; I260-N263 WeakPolarHBondContact O-CB 3.11Å; I260-N263 PolarHBondContact O-N 3.33Å; I260-N263 VanDerWaalsContact O-N 3.16Å; R261-N263 VanDerWaalsContact C-N 3.33Å; R261-N263 PolarHBondContact O-N 3.04Å; N263-L265 VanDerWaalsContact C-N 3.25Å; N263-L265 PolarHBondContact O-N 2.76Å; N263-S266 PolarHBondContact O-N 2.82Å; N263-S266 PolarHBondContact O-OG 3.37Å; N263-Y267 WeakPolarHBondContact O-CD2 3.45Å
264	L	92	Very high	92.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-28.8	-179.7	-67	175.6	0	0	0	113.2	T237 I260 R261 S266 Y267 K270 L272	T237-L264 HydrophobicContact CG2-CD2 4.39Å; I260-L264 HydrophobicContact CG2-CD1 4.08Å; I260-L264 WeakPolarHBondContact O-CG 3.47Å; I260-L264 PolarHBondContact O-N 3.17Å; R261-L264 PolarHBondContact O-N 2.75Å; L264-S266 PolarHBondContact O-N 2.87Å; L264-Y267 PolarHBondContact O-N 3.15Å; L264-K270 HydrophobicContact CB-CB 4.31Å; L264-K270 HydrophobicContact CD2-CB 4.49Å; L264-L272 HydrophobicContact CD1-CB 3.91Å; L264-L272 HydrophobicContact CD1-CD1 3.97Å; L264-L272 HydrophobicContact CD1-CD2 4.46Å; L264-L272 HydrophobicContact CD1-CG 4.34Å
265	L	90.3	Very high	93.1	Very high	95 Å²	95	45.4 Å²	45.4	50%	0.497	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.1	174	-71.8	173.1	0	0	0	113.9	R261 K262 N263 Y267	R261-L265 WeakPolarHBondContact O-CG 3.24Å; R261-L265 PolarHBondContact O-N 3.16Å; K262-L265 PolarHBondContact O-N 3.02Å; N263-L265 VanDerWaalsContact C-N 3.25Å; N263-L265 PolarHBondContact O-N 2.76Å; L265-Y267 PolarHBondContact O-N 3.2Å
266	S	90.9	Very high	93.4	Very high	89 Å²	89	40 Å²	40	62%	0.622	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-8	170.8	70.4	0	0	0	0	113.3	N263 L264	N263-S266 PolarHBondContact O-N 2.82Å; N263-S266 PolarHBondContact O-OG 3.37Å; L264-S266 PolarHBondContact O-N 2.87Å
267	Y	93.2	Very high	93.7	Very high	64 Å²	64	42.9 Å²	42.9	25%	0.251	22%	0.215	S	C	.	.	S	Bend	trans	-112.1	149.6	177.5	-57.1	-90.7	0	0	0	109.8	S234 T237 N263 L264 L265	S234-Y267 VanDerWaalsContact CA-OH 3.29Å; S234-Y267 WeakPolarHBondContact CA-OH 3.47Å; S234-Y267 VanDerWaalsContact CB-OH 3.27Å; S234-Y267 WeakPolarHBondContact CB-OH 3.41Å; S234-Y267 PolarHBondContact OG-OH 2.8Å; T237-Y267 HydrophobicContact CG2-CD1 3.7Å; T237-Y267 HydrophobicContact CG2-CD2 3.75Å; T237-Y267 HydrophobicContact CG2-CE1 3.98Å; T237-Y267 HydrophobicContact CG2-CE2 4.04Å; T237-Y267 HydrophobicContact CG2-CG 3.57Å; N263-Y267 WeakPolarHBondContact O-CD2 3.45Å; L264-Y267 PolarHBondContact O-N 3.15Å; L265-Y267 PolarHBondContact O-N 3.2Å
268	Q	91.8	Very high	93.7	Very high	174 Å²	174	46.7 Å²	46.7	81%	0.813	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	142.7	176.9	-66.6	-175.1	-0.9	0	0	110.9	K270	Q268-K270 VanDerWaalsContact C-N 3.33Å; Q268-K270 WeakPolarHBondContact O-CE 3.4Å; Q268-K270 PolarHBondContact O-N 3.39Å
269	E	95	Very high	93.8	Very high	106 Å²	106	46.5 Å²	46.5	50%	0.495	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	38.7	167.6	-61.2	-68.7	109	0	0	114.6	P74 K75 W76	P74-E269 WeakPolarHBondContact CA-OE2 3.16Å; P74-E269 HydrophobicContact CB-CB 4.05Å; P74-E269 VanDerWaalsContact CB-OE2 3.3Å; P74-E269 WeakPolarHBondContact CB-OE2 3.27Å; P74-E269 HydrophobicContact CG-CB 4.27Å; P74-E269 WeakPolarHBondContact CG-O 3.41Å; K75-E269 PolarHBondContact N-OE2 3.35Å; W76-E269 PolarHBondContact NE1-O 3.47Å
270	K	96.5	Very high	94.2	Very high	29 Å²	29	45.3 Å²	45.3	13%	0.126	22%	0.217	C	C	.	.			trans	-97.7	144.9	176	-55.8	-56.1	168.9	-178.6	0	113.4	T237 V241 D242 L264 Q268 Q299	T237-K270 HydrophobicContact CG2-CD 4.13Å; T237-K270 HydrophobicContact CG2-CG 4.16Å; V241-K270 WeakPolarHBondContact O-CE 3.38Å; V241-K270 PolarHBondContact O-NZ 2.97Å; D242-K270 VanDerWaalsContact O-CA 3.31Å; D242-K270 WeakPolarHBondContact O-CA 3.38Å; D242-K270 VanDerWaalsContact O-CD 3.25Å; D242-K270 WeakPolarHBondContact O-CD 3.26Å; D242-K270 IonicContact OD1-NZ 3.38Å; D242-K270 PolarHBondContact OD1-NZ 3.29Å; L264-K270 HydrophobicContact CB-CB 4.31Å; L264-K270 HydrophobicContact CD2-CB 4.49Å; Q268-K270 VanDerWaalsContact C-N 3.33Å; Q268-K270 WeakPolarHBondContact O-CE 3.4Å; Q268-K270 PolarHBondContact O-N 3.39Å; K270-Q299 PolarHBondContact O-OE1 2.83Å
271	I	97.5	Very high	94.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.9	178.6	-168	78.5	0	0	0	111.7	A73 W76 Y77 V201 D242 G243 W244 I273 Q299	A73-I271 HydrophobicContact CB-CD1 3.73Å; W76-I271 HydrophobicContact CH2-CG2 3.74Å; W76-I271 HydrophobicContact CZ2-CB 4.41Å; W76-I271 HydrophobicContact CZ2-CG2 3.89Å; Y77-I271 HydrophobicContact CD1-CD1 3.67Å; Y77-I271 HydrophobicContact CD1-CG1 4.14Å; Y77-I271 HydrophobicContact CD2-CB 4.14Å; Y77-I271 HydrophobicContact CD2-CD1 4.22Å; Y77-I271 HydrophobicContact CD2-CG1 3.78Å; Y77-I271 HydrophobicContact CD2-CG2 3.92Å; Y77-I271 HydrophobicContact CE1-CD1 3.8Å; Y77-I271 HydrophobicContact CE1-CG1 4.14Å; Y77-I271 HydrophobicContact CE2-CD1 4.37Å; Y77-I271 HydrophobicContact CE2-CG1 3.81Å; Y77-I271 HydrophobicContact CE2-CG2 4.3Å; Y77-I271 HydrophobicContact CG-CB 4.36Å; Y77-I271 HydrophobicContact CG-CD1 3.88Å; Y77-I271 HydrophobicContact CG-CG1 3.95Å; V201-I271 HydrophobicContact CG2-CG2 4.05Å; D242-I271 PolarHBondContact O-N 3.5Å; D242-I271 VanDerWaalsContact O-N 3.17Å; G243-I271 CarbonylContact C-O 3.52Å; G243-I271 WeakPolarHBondContact CA-O 3.19Å; W244-I271 PolarHBondContact N-O 3.09Å; I271-I273 HydrophobicContact CG1-CG2 3.94Å; I271-Q299 HydrophobicContact CD1-CB 3.61Å; I271-Q299 HydrophobicContact CD1-CG 4.23Å
272	L	98	Very high	94.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.1	167.9	-173.9	62.6	0	0	0	110.1	W244 L246 I257 I260 R261 L264 L298 Q299	W244-L272 HydrophobicContact CB-CD1 3.82Å; L246-L272 HydrophobicContact CD1-CD1 3.94Å; L246-L272 HydrophobicContact CD1-CD2 4.4Å; L246-L272 HydrophobicContact CD1-CG 4.39Å; L246-L272 HydrophobicContact CD2-CD1 3.93Å; L246-L272 HydrophobicContact CG-CD1 3.72Å; I257-L272 HydrophobicContact CG2-CD2 4.36Å; I260-L272 HydrophobicContact CB-CD2 4.21Å; I260-L272 HydrophobicContact CG2-CD1 3.76Å; I260-L272 HydrophobicContact CG2-CD2 3.74Å; I260-L272 HydrophobicContact CG2-CG 4.42Å; R261-L272 HydrophobicContact CB-CD2 3.99Å; L264-L272 HydrophobicContact CD1-CB 3.91Å; L264-L272 HydrophobicContact CD1-CD1 3.97Å; L264-L272 HydrophobicContact CD1-CD2 4.46Å; L264-L272 HydrophobicContact CD1-CG 4.34Å; L272-L298 HydrophobicContact CD2-CD2 4.23Å; L272-L298 HydrophobicContact CG-CD2 4Å; L272-Q299 PolarHBondContact O-N 3.45Å
273	I	98.1	Very high	94.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	160.2	174.1	62.6	177.1	0	0	0	110.5	Y77 W244 R245 L246 I271 G300 L343	Y77-I273 WeakPolarHBondContact OH-CG2 3.47Å; W244-I273 PolarHBondContact O-N 2.82Å; R245-I273 CarbonylContact C-O 3.52Å; R245-I273 WeakPolarHBondContact CA-O 3.38Å; R245-I273 HydrophobicContact CB-CD1 4.23Å; R245-I273 HydrophobicContact CB-CG1 3.9Å; R245-I273 HydrophobicContact CG-CD1 4.39Å; R245-I273 HydrophobicContact CG-CG1 4.21Å; L246-I273 PolarHBondContact N-O 3.03Å; I271-I273 HydrophobicContact CG1-CG2 3.94Å; I273-G300 WeakPolarHBondContact CA-O 3.48Å; I273-G300 WeakPolarHBondContact CB-O 3.41Å; I273-L343 HydrophobicContact CD1-CB 4.31Å; I273-L343 HydrophobicContact CD1-CD2 3.77Å
274	G	97.4	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.5	179.3	0	0	0	0	0	113.5	V276 G300 V301 M302	G274-V276 PolarHBondContact O-N 3.23Å; G274-G300 PolarHBondContact N-O 3.31Å; G274-G300 VanDerWaalsContact N-O 3.16Å; G274-V301 WeakPolarHBondContact O-CA 3.29Å; G274-V301 WeakPolarHBondContact O-CB 3.35Å; G274-M302 PolarHBondContact O-N 2.99Å
275	E	98	Very high	94.8	Very high	11 Å²	11	42.4 Å²	42.4	5%	0.051	21%	0.21	C	C	.	.			trans	-76.6	107.5	161.2	-170.4	-165.8	174.9	0	0	109.6	R245 L246 D247 V248 A249 W277 M302 Y304	R245-E275 IonicContact CZ-OE2 2.68Å; R245-E275 IonicContact NH1-OE2 2.84Å; R245-E275 VanDerWaalsContact NH2-CG 3.27Å; R245-E275 IonicContact NH2-OE1 3.61Å; R245-E275 IonicContact NH2-OE2 2.87Å; R245-E275 PolarHBondContact NH2-OE2 3.47Å; L246-E275 WeakPolarHBondContact O-CB 3.3Å; L246-E275 PolarHBondContact O-N 2.55Å; D247-E275 VanDerWaalsContact OD1-OE2 3.06Å; V248-E275 PolarHBondContact N-OE2 3.46Å; A249-E275 WeakPolarHBondContact CB-O 3.49Å; A249-E275 PolarHBondContact N-O 3.13Å; E275-W277 PolarHBondContact OE1-NE1 2.93Å; E275-M302 HydrophobicContact CB-SD 4.44Å; E275-M302 HydrophobicContact CG-SD 4.36Å; E275-Y304 HydrophobicContact CG-CE2 4.23Å
276	V	96.8	Very high	94.9	Very high	1 Å²	1	45 Å²	45	1%	0.006	21%	0.214	C	C	.	.			trans	-135.4	122.3	170.6	-177.5	0	0	0	0	106.5	A249 G274 A280 K283 Y292 V301	A249-V276 HydrophobicContact CB-CG2 4.17Å; G274-V276 PolarHBondContact O-N 3.23Å; V276-A280 HydrophobicContact CB-CB 4.34Å; V276-A280 HydrophobicContact CG1-CB 4.04Å; V276-K283 HydrophobicContact CG1-CD 4.32Å; V276-K283 HydrophobicContact CG1-CG 4.42Å; V276-Y292 HydrophobicContact CG1-CE2 4.44Å; V276-Y292 HydrophobicContact CG2-CD2 4.08Å; V276-Y292 HydrophobicContact CG2-CE2 3.69Å; V276-V301 HydrophobicContact CB-CB 4.2Å; V276-V301 HydrophobicContact CB-CG1 3.95Å; V276-V301 HydrophobicContact CG2-CB 4.44Å; V276-V301 HydrophobicContact CG2-CG1 3.7Å
277	W	95.8	Very high	94.9	Very high	69 Å²	69	48.6 Å²	48.6	26%	0.261	23%	0.227	S	C	.	.	S	Bend	trans	-80.2	-24.7	-172.7	-76.5	78	0	0	0	113.6	E275 Y304 D350 T351	E275-W277 PolarHBondContact OE1-NE1 2.93Å; W277-Y304 HydrophobicContact CD2-CD1 4.38Å; W277-Y304 HydrophobicContact CD2-CD2 4.09Å; W277-Y304 HydrophobicContact CD2-CE1 4.46Å; W277-Y304 HydrophobicContact CD2-CE2 4.16Å; W277-Y304 HydrophobicContact CD2-CG 4.19Å; W277-Y304 AromaticContact CE3-CD1 3.82Å; W277-Y304 HydrophobicContact CE3-CD1 3.82Å; W277-Y304 HydrophobicContact CE3-CD2 4.26Å; W277-Y304 HydrophobicContact CE3-CE1 4.12Å; W277-Y304 AromaticContact CE3-CG 3.88Å; W277-Y304 HydrophobicContact CE3-CG 3.88Å; W277-Y304 HydrophobicContact CG-CD2 4.25Å; W277-Y304 HydrophobicContact CG-CE2 4.47Å; W277-Y304 HydrophobicContact CH2-CD1 4.21Å; W277-Y304 AromaticContact CH2-CE1 3.75Å; W277-Y304 HydrophobicContact CH2-CE1 3.75Å; W277-Y304 HydrophobicContact CZ2-CE1 4.08Å; W277-Y304 HydrophobicContact CZ2-CE2 4.45Å; W277-Y304 AromaticContact CZ2-CZ 3.92Å; W277-Y304 AromaticContact CZ3-CD1 3.73Å; W277-Y304 HydrophobicContact CZ3-CD1 3.73Å; W277-Y304 AromaticContact CZ3-CE1 3.77Å; W277-Y304 HydrophobicContact CZ3-CE1 3.77Å; W277-Y304 HydrophobicContact CZ3-CG 4.28Å; W277-Y304 WeakPolarHBondContact O-CB 3.33Å; W277-D350 HydrophobicContact CH2-CB 4.05Å; W277-D350 HydrophobicContact CZ2-CB 3.83Å; W277-T351 HydrophobicContact CH2-CG2 4Å; W277-T351 HydrophobicContact CZ3-CG2 4.28Å
278	E	93.9	Very high	94.9	Very high	81 Å²	81	48.9 Å²	48.9	38%	0.379	24%	0.235	S	C	.	.	S	Bend	trans	-115.5	-164.7	-175.2	-46	92.7	141.8	0	0	111.6	A280 K283	E278-A280 PolarHBondContact O-N 3.06Å; E278-A280 VanDerWaalsContact O-N 3.08Å; E278-K283 IonicContact OE1-NZ 3.88Å; E278-K283 PolarHBondContact OE1-NZ 3.41Å; E278-K283 IonicContact OE2-NZ 3.63Å; E278-K283 PolarHBondContact OE2-NZ 3.44Å
279	D	94.4	Very high	95	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.102	22%	0.215	C	C	.	.			trans	-64.2	107.4	175.3	-169.5	-14	0	0	0	111.9	S281 N282 K283 Y330 N333 Y334	D279-S281 PolarHBondContact O-N 3.4Å; D279-S281 VanDerWaalsContact OD1-CB 3.27Å; D279-S281 WeakPolarHBondContact OD1-CB 3.45Å; D279-S281 PolarHBondContact OD1-N 3.05Å; D279-S281 PolarHBondContact OD1-OG 3.17Å; D279-S281 PolarHBondContact OD2-OG 3.14Å; D279-N282 PolarHBondContact O-N 3.46Å; D279-K283 PolarHBondContact O-N 2.92Å; D279-K283 VanDerWaalsContact O-N 3.1Å; D279-Y330 HydrophobicContact CB-CD1 4.44Å; D279-Y330 HydrophobicContact CB-CE1 3.61Å; D279-N333 PolarHBondContact OD2-ND2 2.81Å; D279-Y334 PolarHBondContact OD1-OH 2.99Å
280	A	95.9	Very high	95	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.3	179.9	0	0	0	0	0	113.2	V276 E278 N282 Y292 V301 Y334 F338	V276-A280 HydrophobicContact CB-CB 4.34Å; V276-A280 HydrophobicContact CG1-CB 4.04Å; E278-A280 PolarHBondContact O-N 3.06Å; E278-A280 VanDerWaalsContact O-N 3.08Å; A280-N282 PolarHBondContact O-N 3.22Å; A280-Y292 HydrophobicContact CB-CD2 4.09Å; A280-V301 HydrophobicContact CB-CG1 3.95Å; A280-V301 HydrophobicContact CB-CG2 3.94Å; A280-Y334 HydrophobicContact CB-CE1 4Å; A280-Y334 PolarHBondContact N-OH 3.37Å; A280-F338 HydrophobicContact CB-CE1 4.29Å; A280-F338 HydrophobicContact CB-CZ 4.22Å
281	S	94.9	Very high	94.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.1	178.3	71.5	0	0	0	0	112.7	Q63 D279	Q63-S281 PolarHBondContact NE2-OG 3.05Å; D279-S281 PolarHBondContact O-N 3.4Å; D279-S281 VanDerWaalsContact OD1-CB 3.27Å; D279-S281 WeakPolarHBondContact OD1-CB 3.45Å; D279-S281 PolarHBondContact OD1-N 3.05Å; D279-S281 PolarHBondContact OD1-OG 3.17Å; D279-S281 PolarHBondContact OD2-OG 3.14Å
282	N	93.5	Very high	94.8	Very high	47 Å²	47	43.9 Å²	43.9	25%	0.251	21%	0.206	S	C	.	.	S	Bend	trans	-139.7	25.1	-173.6	-164.3	7.6	0	0	0	113	L21 Q63 D279 A280 I284 R289	L21-N282 HydrophobicContact CD2-CB 4.08Å; L21-N282 WeakPolarHBondContact CD2-OD1 3.33Å; Q63-N282 VanDerWaalsContact OE1-CG 3.26Å; Q63-N282 PolarHBondContact OE1-ND2 3.07Å; D279-N282 PolarHBondContact O-N 3.46Å; A280-N282 PolarHBondContact O-N 3.22Å; N282-I284 PolarHBondContact O-N 2.92Å; N282-R289 WeakPolarHBondContact OD1-CD 3.11Å; N282-R289 PolarHBondContact OD1-NH1 3.41Å
283	K	94.6	Very high	94.7	Very high	19 Å²	19	44 Å²	44	8%	0.083	21%	0.206	C	C	.	.			trans	-64.6	131	178.6	-179.4	74.6	179.4	-156.9	0	110.2	D250 V276 E278 D279 R290 Y292	D250-K283 VanDerWaalsContact OD2-CE 3.28Å; D250-K283 WeakPolarHBondContact OD2-CE 3.49Å; D250-K283 IonicContact OD2-NZ 2.99Å; D250-K283 PolarHBondContact OD2-NZ 3.27Å; V276-K283 HydrophobicContact CG1-CD 4.32Å; V276-K283 HydrophobicContact CG1-CG 4.42Å; E278-K283 IonicContact OE1-NZ 3.88Å; E278-K283 PolarHBondContact OE1-NZ 3.41Å; E278-K283 IonicContact OE2-NZ 3.63Å; E278-K283 PolarHBondContact OE2-NZ 3.44Å; D279-K283 PolarHBondContact O-N 2.92Å; D279-K283 VanDerWaalsContact O-N 3.1Å; K283-R290 HydrophobicContact CB-CB 4.4Å; K283-R290 HydrophobicContact CB-CG 4.3Å; K283-R290 HydrophobicContact CG-CG 4.1Å; K283-R290 PolarHBondContact O-N 3.07Å; K283-Y292 HydrophobicContact CB-CE2 4.16Å; K283-Y292 HydrophobicContact CG-CE2 4.21Å
284	I	93.7	Very high	94.4	Very high	75 Å²	75	44.5 Å²	44.5	39%	0.385	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.8	163.8	-61.2	173.7	0	0	0	107.2	N282 T288	N282-I284 PolarHBondContact O-N 2.92Å; I284-T288 WeakPolarHBondContact CA-O 3.35Å
285	A	91.3	Very high	94.1	Very high	9 Å²	9	44.6 Å²	44.6	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.2	174.1	0	0	0	0	0	108.8	D250 D287 T288 R290	D250-A285 HydrophobicContact CB-CB 3.72Å; A285-D287 VanDerWaalsContact C-N 3.3Å; A285-D287 PolarHBondContact O-N 3.15Å; A285-T288 PolarHBondContact N-O 3.4Å; A285-T288 WeakPolarHBondContact O-CB 3.41Å; A285-T288 PolarHBondContact O-N 3.47Å; A285-R290 HydrophobicContact CB-CG 4.33Å
286	Y	91.1	Very high	93.8	Very high	150 Å²	150	46.2 Å²	46.2	59%	0.588	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	51.8	-177.5	-57.1	-85.5	0	0	0	112.1	E251 T288	E251-Y286 HydrophobicContact CB-CE2 4.49Å; E251-Y286 HydrophobicContact CG-CE2 3.97Å; E251-Y286 PolarHBondContact OE1-OH 2.89Å; Y286-T288 PolarHBondContact O-N 3.22Å; Y286-T288 PolarHBondContact O-OG1 3.44Å; Y286-T288 VanDerWaalsContact O-OG1 3.13Å
287	D	91.2	Very high	93.7	Very high	165 Å²	165	46.5 Å²	46.5	88%	0.882	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	16.2	-178.8	-56.5	-44.1	0	0	0	115.4	A285	A285-D287 VanDerWaalsContact C-N 3.3Å; A285-D287 PolarHBondContact O-N 3.15Å
288	T	92.9	Very high	93.8	Very high	70 Å²	70	43.2 Å²	43.2	43%	0.429	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.2	-177.6	-55.7	0	0	0	0	110.7	I284 A285 Y286 R290	I284-T288 WeakPolarHBondContact CA-O 3.35Å; A285-T288 PolarHBondContact N-O 3.4Å; A285-T288 WeakPolarHBondContact O-CB 3.41Å; A285-T288 PolarHBondContact O-N 3.47Å; Y286-T288 PolarHBondContact O-N 3.22Å; Y286-T288 PolarHBondContact O-OG1 3.44Å; Y286-T288 VanDerWaalsContact O-OG1 3.13Å; T288-R290 WeakPolarHBondContact O-CD 3.49Å; T288-R290 PolarHBondContact O-N 3.01Å
289	R	93.9	Very high	93.9	Very high	103 Å²	103	39.4 Å²	39.4	39%	0.389	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	123.8	169.5	-170.6	74.2	52.3	112.4	9.7	108.8	F23 N282	F23-R289 VanDerWaalsContact CE2-NH1 3.34Å; N282-R289 WeakPolarHBondContact OD1-CD 3.11Å; N282-R289 PolarHBondContact OD1-NH1 3.41Å
290	R	95.8	Very high	94.1	Very high	14 Å²	14	38.5 Å²	38.5	5%	0.053	19%	0.185	C	C	.	.			trans	-82.1	151.9	-175.1	-54.7	-46.8	-48.4	-121.8	-14.9	112	L252 D254 K283 A285 T288 Y292	L252-R290 PolarHBondContact O-NH1 3.02Å; L252-R290 PolarHBondContact O-NH2 2.9Å; D254-R290 VanDerWaalsContact CG-NH2 3.32Å; D254-R290 IonicContact OD1-CZ 2.84Å; D254-R290 VanDerWaalsContact OD1-CZ 3.27Å; D254-R290 IonicContact OD1-NE 3.26Å; D254-R290 PolarHBondContact OD1-NE 3.4Å; D254-R290 IonicContact OD1-NH2 3.64Å; D254-R290 PolarHBondContact OD1-NH2 3.06Å; D254-R290 IonicContact OD2-NE 3.31Å; D254-R290 IonicContact OD2-NH2 3.72Å; K283-R290 HydrophobicContact CB-CB 4.4Å; K283-R290 HydrophobicContact CB-CG 4.3Å; K283-R290 HydrophobicContact CG-CG 4.1Å; K283-R290 PolarHBondContact O-N 3.07Å; A285-R290 HydrophobicContact CB-CG 4.33Å; T288-R290 WeakPolarHBondContact O-CD 3.49Å; T288-R290 PolarHBondContact O-N 3.01Å; R290-Y292 HydrophobicContact CB-CD1 4.24Å; R290-Y292 HydrophobicContact CB-CD2 3.87Å; R290-Y292 HydrophobicContact CB-CE1 3.89Å; R290-Y292 HydrophobicContact CB-CE2 3.54Å; R290-Y292 HydrophobicContact CB-CG 4.22Å; R290-Y292 HydrophobicContact CG-CE1 4.36Å; R290-Y292 HydrophobicContact CG-CE2 3.89Å
291	K	94.7	Very high	94.2	Very high	87 Å²	87	38.6 Å²	38.6	38%	0.378	19%	0.185	S	C	.	.			trans	-105.2	20	-173.6	-67.2	-177.5	-173.9	178.9	0	114.5	D254 V293 F294 H297	D254-K291 HydrophobicContact CB-CB 4.38Å; D254-K291 HydrophobicContact CB-CD 4.42Å; D254-K291 PolarHBondContact OD1-N 3.45Å; D254-K291 VanDerWaalsContact OD1-N 3.13Å; D254-K291 PolarHBondContact OD2-N 3.05Å; K291-V293 PolarHBondContact O-N 3.46Å; K291-F294 HydrophobicContact CB-CD2 3.79Å; K291-F294 HydrophobicContact CB-CE2 4.3Å; K291-F294 HydrophobicContact CG-CD2 4.06Å; K291-F294 HydrophobicContact CG-CE2 4.22Å; K291-F294 PolarHBondContact O-N 3.43Å; K291-H297 PolarHBondContact O-ND1 2.71Å
292	Y	95.7	Very high	94.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-35.7	-168.5	-57.9	-35.8	0	0	0	115.4	A249 D250 I257 V276 A280 K283 R290 L298	A249-Y292 VanDerWaalsContact C-OH 3.31Å; A249-Y292 PolarHBondContact O-OH 3.09Å; A249-Y292 VanDerWaalsContact O-OH 3.09Å; D250-Y292 WeakPolarHBondContact CA-OH 3.34Å; D250-Y292 PolarHBondContact N-OH 3.17Å; I257-Y292 HydrophobicContact CD1-CD1 4.05Å; I257-Y292 HydrophobicContact CD1-CE1 3.53Å; V276-Y292 HydrophobicContact CG1-CE2 4.44Å; V276-Y292 HydrophobicContact CG2-CD2 4.08Å; V276-Y292 HydrophobicContact CG2-CE2 3.69Å; A280-Y292 HydrophobicContact CB-CD2 4.09Å; K283-Y292 HydrophobicContact CB-CE2 4.16Å; K283-Y292 HydrophobicContact CG-CE2 4.21Å; R290-Y292 HydrophobicContact CB-CD1 4.24Å; R290-Y292 HydrophobicContact CB-CD2 3.87Å; R290-Y292 HydrophobicContact CB-CE1 3.89Å; R290-Y292 HydrophobicContact CB-CE2 3.54Å; R290-Y292 HydrophobicContact CB-CG 4.22Å; R290-Y292 HydrophobicContact CG-CE1 4.36Å; R290-Y292 HydrophobicContact CG-CE2 3.89Å; Y292-L298 HydrophobicContact CD1-CD1 3.75Å; Y292-L298 HydrophobicContact CD1-CG 4.12Å; Y292-L298 HydrophobicContact CD2-CD1 4.44Å; Y292-L298 HydrophobicContact CE1-CD1 4.33Å; Y292-L298 HydrophobicContact CG-CD1 3.82Å; Y292-L298 HydrophobicContact CG-CG 4.41Å; Y292-L298 PolarHBondContact O-N 2.98Å; Y292-L298 VanDerWaalsContact O-N 3.15Å
293	V	94.5	Very high	94.5	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	12	-167.3	-56.7	0	0	0	0	114.1	T65 K291 Y334 P335 F338	T65-V293 HydrophobicContact CG2-CG2 3.75Å; K291-V293 PolarHBondContact O-N 3.46Å; V293-Y334 HydrophobicContact CG1-CD1 3.98Å; V293-Y334 HydrophobicContact CG1-CE1 4Å; V293-P335 HydrophobicContact CB-CG 4.18Å; V293-P335 WeakPolarHBondContact O-CG 3.28Å; V293-F338 HydrophobicContact CB-CD2 4.38Å; V293-F338 HydrophobicContact CB-CE2 4.44Å; V293-F338 HydrophobicContact CG1-CD1 3.92Å; V293-F338 HydrophobicContact CG1-CD2 4.03Å; V293-F338 HydrophobicContact CG1-CE1 3.65Å; V293-F338 HydrophobicContact CG1-CE2 3.76Å; V293-F338 HydrophobicContact CG1-CG 4.11Å; V293-F338 HydrophobicContact CG1-CZ 3.57Å
294	F	93.4	Very high	94.7	Very high	12 Å²	12	36.6 Å²	36.6	5%	0.053	18%	0.175	C	C	.	.	S	Bend	trans	-92.4	-0.9	-172.4	-65.5	-57.7	0	0	0	115.5	W19 L21 T65 C66 Q68 K291	W19-F294 HydrophobicContact CE3-CB 3.97Å; W19-F294 AromaticContact CE3-CD1 3.95Å; W19-F294 HydrophobicContact CE3-CD1 3.95Å; W19-F294 HydrophobicContact CE3-CD2 4.19Å; W19-F294 AromaticContact CE3-CG 3.78Å; W19-F294 HydrophobicContact CE3-CG 3.78Å; W19-F294 HydrophobicContact CZ3-CB 4.1Å; W19-F294 AromaticContact CZ3-CD2 3.93Å; W19-F294 HydrophobicContact CZ3-CD2 3.93Å; W19-F294 AromaticContact CZ3-CG 3.94Å; W19-F294 HydrophobicContact CZ3-CG 3.94Å; L21-F294 HydrophobicContact CB-CZ 4.46Å; T65-F294 HydrophobicContact CG2-CE1 4.22Å; C66-F294 WeakPolarHBondContact O-CD1 3.32Å; C66-F294 WeakPolarHBondContact O-CE1 3.46Å; Q68-F294 VanDerWaalsContact CB-O 3.32Å; Q68-F294 WeakPolarHBondContact CB-O 3.06Å; Q68-F294 PolarHBondContact N-O 3.12Å; K291-F294 HydrophobicContact CB-CD2 3.79Å; K291-F294 HydrophobicContact CB-CE2 4.3Å; K291-F294 HydrophobicContact CG-CD2 4.06Å; K291-F294 HydrophobicContact CG-CE2 4.22Å; K291-F294 PolarHBondContact O-N 3.43Å
295	G	90.6	Very high	94.9	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.021	16%	0.16	C	C	.	.	S	Bend	trans	117.1	-16.8	170.4	0	0	0	0	0	115.4	K69 E71	K69-G295 WeakPolarHBondContact CE-O 3.24Å; K69-G295 VanDerWaalsContact O-CA 3.29Å; K69-G295 WeakPolarHBondContact O-CA 3.34Å; E71-G295 WeakPolarHBondContact OE1-CA 3.49Å; E71-G295 PolarHBondContact OE1-N 2.99Å; E71-G295 VanDerWaalsContact OE1-N 3.09Å
296	D	91.5	Very high	95.2	Very high	45 Å²	45	33.5 Å²	33.5	24%	0.241	16%	0.158	C	C	.	.	S	Bend	trans	-123.9	8.6	-173.4	66.1	-29.4	0	0	0	113.9	E71 R261	E71-D296 PolarHBondContact OE1-N 3.19Å; R261-D296 WeakPolarHBondContact CB-O 3.39Å; R261-D296 VanDerWaalsContact CG-O 3.3Å; R261-D296 WeakPolarHBondContact CG-O 3.26Å
297	H	94.9	Very high	95.5	Very high	7 Å²	7	27.3 Å²	27.3	3%	0.032	13%	0.134	C	C	.	.	S	Bend	trans	-116.1	-99.9	-178.4	-67.6	71.1	0	0	0	111	D254 I257 R261 K291	D254-H297 WeakPolarHBondContact CB-NE2 3.31Å; D254-H297 PolarHBondContact O-CD2 3.07Å; D254-H297 PolarHBondContact O-NE2 2.79Å; I257-H297 HydrophobicContact CG2-CB 3.89Å; R261-H297 WeakPolarHBondContact CD-O 3.38Å; R261-H297 WeakPolarHBondContact CG-O 3.42Å; K291-H297 PolarHBondContact O-ND1 2.71Å
298	L	97.3	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.			trans	-98.5	140.9	-177.2	-61.3	-178.8	0	0	0	109.7	L246 A249 I257 L272 Y292 V301 F338	L246-L298 HydrophobicContact CD1-CD2 4.1Å; A249-L298 HydrophobicContact CB-CD1 4.38Å; I257-L298 HydrophobicContact CG2-CD2 3.76Å; I257-L298 HydrophobicContact CG2-CG 4.14Å; L272-L298 HydrophobicContact CD2-CD2 4.23Å; L272-L298 HydrophobicContact CG-CD2 4Å; Y292-L298 HydrophobicContact CD1-CD1 3.75Å; Y292-L298 HydrophobicContact CD1-CG 4.12Å; Y292-L298 HydrophobicContact CD2-CD1 4.44Å; Y292-L298 HydrophobicContact CE1-CD1 4.33Å; Y292-L298 HydrophobicContact CG-CD1 3.82Å; Y292-L298 HydrophobicContact CG-CG 4.41Å; Y292-L298 PolarHBondContact O-N 2.98Å; Y292-L298 VanDerWaalsContact O-N 3.15Å; L298-V301 HydrophobicContact CD1-CG1 3.84Å; L298-F338 HydrophobicContact CB-CE2 4.11Å; L298-F338 WeakPolarHBondContact O-CD2 3.39Å; L298-F338 WeakPolarHBondContact O-CE2 3.46Å
299	Q	97.1	Very high	96.1	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	9%	0.089	C	C	.	.	S	Bend	trans	-84.9	-17.7	173.5	-73.9	166.4	-75.8	0	0	112.8	E71 I72 K270 I271 L272 N341	E71-Q299 WeakPolarHBondContact OE2-CA 3.43Å; E71-Q299 WeakPolarHBondContact OE2-CG 3.3Å; I72-Q299 PolarHBondContact O-NE2 3.4Å; K270-Q299 PolarHBondContact O-OE1 2.83Å; I271-Q299 HydrophobicContact CD1-CB 3.61Å; I271-Q299 HydrophobicContact CD1-CG 4.23Å; L272-Q299 PolarHBondContact O-N 3.45Å; Q299-N341 WeakPolarHBondContact O-CB 2.81Å; Q299-N341 PolarHBondContact O-ND2 2.94Å
300	G	97.3	Very high	96.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	175.5	178.3	0	0	0	0	0	110.8	I273 G274	I273-G300 WeakPolarHBondContact CA-O 3.48Å; I273-G300 WeakPolarHBondContact CB-O 3.41Å; G274-G300 PolarHBondContact N-O 3.31Å; G274-G300 VanDerWaalsContact N-O 3.16Å
301	V	98	Very high	96.4	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	168.5	174.7	-65.5	0	0	0	0	111	G274 V276 A280 L298 N303 F338 L343	G274-V301 WeakPolarHBondContact O-CA 3.29Å; G274-V301 WeakPolarHBondContact O-CB 3.35Å; V276-V301 HydrophobicContact CB-CB 4.2Å; V276-V301 HydrophobicContact CB-CG1 3.95Å; V276-V301 HydrophobicContact CG2-CB 4.44Å; V276-V301 HydrophobicContact CG2-CG1 3.7Å; A280-V301 HydrophobicContact CB-CG1 3.95Å; A280-V301 HydrophobicContact CB-CG2 3.94Å; L298-V301 HydrophobicContact CD1-CG1 3.84Å; V301-N303 PolarHBondContact O-N 3.18Å; V301-F338 HydrophobicContact CG1-CZ 3.99Å; V301-F338 HydrophobicContact CG2-CE1 4.33Å; V301-F338 HydrophobicContact CG2-CZ 4.45Å; V301-L343 PolarHBondContact O-N 2.91Å
302	M	98.2	Very high	96.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-65	123.4	167.6	-62.2	-169.1	70	0	0	109.8	Y155 R245 G274 E275 Y304 T348	Y155-M302 HydrophobicContact CE1-CE 4.27Å; R245-M302 HydrophobicContact CG-SD 4.39Å; R245-M302 PolarHBondContact NE-SD 2.84Å; R245-M302 VanDerWaalsContact NE-SD 3.37Å; G274-M302 PolarHBondContact O-N 2.99Å; E275-M302 HydrophobicContact CB-SD 4.44Å; E275-M302 HydrophobicContact CG-SD 4.36Å; M302-Y304 HydrophobicContact CB-CD2 3.79Å; M302-Y304 HydrophobicContact CB-CE2 3.44Å; M302-Y304 VanDerWaalsContact CB-CE2 3.44Å; M302-Y304 HydrophobicContact CE-CE2 4.27Å; M302-Y304 WeakPolarHBondContact CE-OH 3.42Å; M302-Y304 HydrophobicContact CG-CE2 4.32Å; M302-Y304 PolarHBondContact O-N 3.46Å; M302-Y304 HydrophobicContact SD-CE2 4.09Å; M302-T348 HydrophobicContact CE-CG2 3.65Å
303	N	97.9	Very high	96.7	Very high	16 Å²	16	13.3 Å²	13.3	9%	0.086	7%	0.066	C	C	.	.			trans	-86	59.3	-168.6	-159.1	-9.7	0	0	0	112.2	V301 P305 L306 R307 Q342 L343 N344 N345	V301-N303 PolarHBondContact O-N 3.18Å; N303-P305 VanDerWaalsContact C-CD 3.43Å; N303-P305 VanDerWaalsContact C-N 3.31Å; N303-L306 HydrophobicContact CB-CB 4.21Å; N303-L306 WeakPolarHBondContact ND2-CB 3.19Å; N303-L306 PolarHBondContact O-N 3.38Å; N303-L306 VanDerWaalsContact OD1-CB 3.28Å; N303-L306 WeakPolarHBondContact OD1-CB 3.23Å; N303-L306 PolarHBondContact OD1-N 3.35Å; N303-R307 PolarHBondContact O-N 2.65Å; N303-R307 VanDerWaalsContact O-N 3.14Å; N303-Q342 HydrophobicContact CB-CB 4.12Å; N303-L343 VanDerWaalsContact CB-O 3.3Å; N303-L343 WeakPolarHBondContact CB-O 3.28Å; N303-L343 PolarHBondContact N-O 2.63Å; N303-N344 PolarHBondContact ND2-OD1 2.93Å; N303-N345 PolarHBondContact N-OD1 3.34Å
304	Y	98.1	Very high	96.9	Very high	10 Å²	10	14.7 Å²	14.7	4%	0.039	7%	0.073	C	C	.	.	H	α-helix	trans	-60.2	-30.9	174.5	-67.4	-75.3	0	0	0	114.1	E275 W277 M302 R307 Q308 T348 T351	E275-Y304 HydrophobicContact CG-CE2 4.23Å; W277-Y304 HydrophobicContact CD2-CD1 4.38Å; W277-Y304 HydrophobicContact CD2-CD2 4.09Å; W277-Y304 HydrophobicContact CD2-CE1 4.46Å; W277-Y304 HydrophobicContact CD2-CE2 4.16Å; W277-Y304 HydrophobicContact CD2-CG 4.19Å; W277-Y304 AromaticContact CE3-CD1 3.82Å; W277-Y304 HydrophobicContact CE3-CD1 3.82Å; W277-Y304 HydrophobicContact CE3-CD2 4.26Å; W277-Y304 HydrophobicContact CE3-CE1 4.12Å; W277-Y304 AromaticContact CE3-CG 3.88Å; W277-Y304 HydrophobicContact CE3-CG 3.88Å; W277-Y304 HydrophobicContact CG-CD2 4.25Å; W277-Y304 HydrophobicContact CG-CE2 4.47Å; W277-Y304 HydrophobicContact CH2-CD1 4.21Å; W277-Y304 AromaticContact CH2-CE1 3.75Å; W277-Y304 HydrophobicContact CH2-CE1 3.75Å; W277-Y304 HydrophobicContact CZ2-CE1 4.08Å; W277-Y304 HydrophobicContact CZ2-CE2 4.45Å; W277-Y304 AromaticContact CZ2-CZ 3.92Å; W277-Y304 AromaticContact CZ3-CD1 3.73Å; W277-Y304 HydrophobicContact CZ3-CD1 3.73Å; W277-Y304 AromaticContact CZ3-CE1 3.77Å; W277-Y304 HydrophobicContact CZ3-CE1 3.77Å; W277-Y304 HydrophobicContact CZ3-CG 4.28Å; W277-Y304 WeakPolarHBondContact O-CB 3.33Å; M302-Y304 HydrophobicContact CB-CD2 3.79Å; M302-Y304 HydrophobicContact CB-CE2 3.44Å; M302-Y304 VanDerWaalsContact CB-CE2 3.44Å; M302-Y304 HydrophobicContact CE-CE2 4.27Å; M302-Y304 WeakPolarHBondContact CE-OH 3.42Å; M302-Y304 HydrophobicContact CG-CE2 4.32Å; M302-Y304 PolarHBondContact O-N 3.46Å; M302-Y304 HydrophobicContact SD-CE2 4.09Å; Y304-R307 WeakPolarHBondContact O-CB 3.41Å; Y304-R307 PolarHBondContact O-N 2.71Å; Y304-Q308 PolarHBondContact O-N 2.99Å; Y304-T348 HydrophobicContact CE1-CG2 4.05Å; Y304-T351 HydrophobicContact CE1-CG2 4.08Å
305	P	97.2	Very high	97	Very high	10 Å²	10	18.5 Å²	18.5	7%	0.065	9%	0.09	C	C	.	.	H	α-helix	trans	-57.9	-48.2	169.5	-29.3	38	0	0	0	113.3	N303 R307 Q308 Q309 Y330	N303-P305 VanDerWaalsContact C-CD 3.43Å; N303-P305 VanDerWaalsContact C-N 3.31Å; P305-R307 VanDerWaalsContact C-N 3.3Å; P305-R307 PolarHBondContact O-N 2.72Å; P305-Q308 PolarHBondContact O-N 3.25Å; P305-Q308 VanDerWaalsContact O-N 3.16Å; P305-Q309 VanDerWaalsContact O-CG 3.26Å; P305-Q309 WeakPolarHBondContact O-CG 3.22Å; P305-Q309 PolarHBondContact O-N 3.33Å; P305-Y330 HydrophobicContact CB-CD2 4.44Å; P305-Y330 HydrophobicContact CB-CE1 3.94Å; P305-Y330 HydrophobicContact CB-CE2 3.71Å; P305-Y330 VanDerWaalsContact CB-CZ 3.43Å; P305-Y330 WeakPolarHBondContact CB-OH 3.47Å; P305-Y330 HydrophobicContact CG-CE1 3.89Å; P305-Y330 HydrophobicContact CG-CE2 4.49Å; P305-Y330 WeakPolarHBondContact CG-OH 3.44Å
306	L	98	Very high	97.3	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.047	13%	0.127	C	C	.	.	H	α-helix	trans	-61.1	-40.6	176.4	177.7	63.8	0	0	0	111.6	N303 Q308 Q309 I310 M327 N344 M375	N303-L306 HydrophobicContact CB-CB 4.21Å; N303-L306 WeakPolarHBondContact ND2-CB 3.19Å; N303-L306 PolarHBondContact O-N 3.38Å; N303-L306 VanDerWaalsContact OD1-CB 3.28Å; N303-L306 WeakPolarHBondContact OD1-CB 3.23Å; N303-L306 PolarHBondContact OD1-N 3.35Å; L306-Q308 VanDerWaalsContact C-N 3.31Å; L306-Q308 PolarHBondContact O-N 3.13Å; L306-Q309 PolarHBondContact O-N 3.31Å; L306-I310 HydrophobicContact CD1-CD1 4.1Å; L306-I310 HydrophobicContact CD1-CG1 4.15Å; L306-I310 HydrophobicContact CD2-CD1 4.47Å; L306-I310 HydrophobicContact CG-CD1 3.92Å; L306-I310 HydrophobicContact CG-CG1 4.38Å; L306-I310 WeakPolarHBondContact O-CG1 3.38Å; L306-I310 PolarHBondContact O-N 3.26Å; L306-M327 HydrophobicContact CD1-CE 4.12Å; L306-N344 HydrophobicContact CD2-CB 3.92Å; L306-N344 VanDerWaalsContact CD2-CG 3.41Å; L306-N344 WeakPolarHBondContact CD2-OD1 3.29Å; L306-M375 HydrophobicContact CD1-CB 4.32Å; L306-M375 HydrophobicContact CD1-CG 4.01Å; L306-M375 HydrophobicContact CD2-CB 3.96Å; L306-M375 HydrophobicContact CD2-CG 4.48Å
307	R	98.2	Very high	97.6	Very high	20 Å²	20	27.8 Å²	27.8	8%	0.075	14%	0.139	C	C	.	.	H	α-helix	trans	-53	-50.5	173.7	-179.7	176.4	177.3	-77.4	-1.5	111.7	N303 Y304 P305 Q309 I310 L311 N345 I346	N303-R307 PolarHBondContact O-N 2.65Å; N303-R307 VanDerWaalsContact O-N 3.14Å; Y304-R307 WeakPolarHBondContact O-CB 3.41Å; Y304-R307 PolarHBondContact O-N 2.71Å; P305-R307 VanDerWaalsContact C-N 3.3Å; P305-R307 PolarHBondContact O-N 2.72Å; R307-Q309 VanDerWaalsContact C-N 3.34Å; R307-I310 PolarHBondContact O-N 3.32Å; R307-L311 HydrophobicContact CG-CD1 4.32Å; R307-L311 PolarHBondContact O-N 2.81Å; R307-L311 VanDerWaalsContact O-N 3.07Å; R307-N345 VanDerWaalsContact CB-O 3.29Å; R307-N345 WeakPolarHBondContact CB-O 3.33Å; R307-I346 WeakPolarHBondContact CD-O 3.46Å; R307-I346 PolarHBondContact NE-O 2.88Å
308	Q	97.9	Very high	97.6	Very high	73 Å²	73	31.2 Å²	31.2	34%	0.341	15%	0.151	S	C	.	.	H	α-helix	trans	-64.8	-42.2	-177.7	-172.8	56.5	52.9	0	0	110.8	Y304 P305 L306 I310 L311 D312	Y304-Q308 PolarHBondContact O-N 2.99Å; P305-Q308 PolarHBondContact O-N 3.25Å; P305-Q308 VanDerWaalsContact O-N 3.16Å; L306-Q308 VanDerWaalsContact C-N 3.31Å; L306-Q308 PolarHBondContact O-N 3.13Å; Q308-I310 PolarHBondContact O-N 3.09Å; Q308-L311 PolarHBondContact O-N 2.81Å; Q308-D312 PolarHBondContact NE2-OD1 2.85Å; Q308-D312 PolarHBondContact NE2-OD2 2.74Å; Q308-D312 WeakPolarHBondContact O-CB 3.4Å; Q308-D312 PolarHBondContact O-N 3.24Å; Q308-D312 VanDerWaalsContact O-OD2 3.06Å
309	Q	98	Very high	97.5	Very high	6 Å²	6	37 Å²	37	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-43.6	176.7	-68	166.2	-21.1	0	0	112.5	P305 L306 R307 D312 I313 I323 E326 M327	P305-Q309 VanDerWaalsContact O-CG 3.26Å; P305-Q309 WeakPolarHBondContact O-CG 3.22Å; P305-Q309 PolarHBondContact O-N 3.33Å; L306-Q309 PolarHBondContact O-N 3.31Å; R307-Q309 VanDerWaalsContact C-N 3.34Å; Q309-D312 PolarHBondContact O-N 2.92Å; Q309-I313 VanDerWaalsContact O-CG1 3.3Å; Q309-I313 WeakPolarHBondContact O-CG1 3.22Å; Q309-I313 PolarHBondContact O-N 3.24Å; Q309-I323 HydrophobicContact CB-CG2 3.83Å; Q309-I323 HydrophobicContact CG-CG2 4.05Å; Q309-E326 PolarHBondContact NE2-OE2 3.08Å; Q309-M327 HydrophobicContact CB-CE 3.62Å; Q309-M327 HydrophobicContact CG-CE 4.33Å; Q309-M327 VanDerWaalsContact OE1-CG 3.28Å
310	I	98.5	Very high	97.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-46.6	175.3	-70.8	171.8	0	0	0	110.6	L306 R307 Q308 D312 I313 L314 I346 A368 L371 M372	L306-I310 HydrophobicContact CD1-CD1 4.1Å; L306-I310 HydrophobicContact CD1-CG1 4.15Å; L306-I310 HydrophobicContact CD2-CD1 4.47Å; L306-I310 HydrophobicContact CG-CD1 3.92Å; L306-I310 HydrophobicContact CG-CG1 4.38Å; L306-I310 WeakPolarHBondContact O-CG1 3.38Å; L306-I310 PolarHBondContact O-N 3.26Å; R307-I310 PolarHBondContact O-N 3.32Å; Q308-I310 PolarHBondContact O-N 3.09Å; I310-D312 VanDerWaalsContact C-N 3.29Å; I310-D312 PolarHBondContact O-N 2.83Å; I310-I313 PolarHBondContact O-N 2.88Å; I310-L314 HydrophobicContact CG2-CD1 3.82Å; I310-L314 HydrophobicContact CG2-CG 4.45Å; I310-L314 VanDerWaalsContact O-CG 3.29Å; I310-L314 WeakPolarHBondContact O-CG 3.42Å; I310-L314 PolarHBondContact O-N 3.28Å; I310-I346 HydrophobicContact CD1-CG2 3.87Å; I310-I346 HydrophobicContact CG2-CG2 4.43Å; I310-A368 HydrophobicContact CG2-CB 4.03Å; I310-L371 HydrophobicContact CD1-CB 3.99Å; I310-L371 HydrophobicContact CG1-CB 3.95Å; I310-L371 HydrophobicContact CG1-CD1 4.39Å; I310-L371 HydrophobicContact CG2-CB 4.46Å; I310-L371 HydrophobicContact CG2-CD1 4.11Å; I310-M372 HydrophobicContact CD1-CB 4.02Å
311	L	98.4	Very high	97.3	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-40.5	176.5	-76.2	171.1	0	0	0	112	R307 Q308 L314 K315 I354 M357 L358	R307-L311 HydrophobicContact CG-CD1 4.32Å; R307-L311 PolarHBondContact O-N 2.81Å; R307-L311 VanDerWaalsContact O-N 3.07Å; Q308-L311 PolarHBondContact O-N 2.81Å; L311-L314 PolarHBondContact O-N 3.31Å; L311-K315 VanDerWaalsContact O-CB 3.24Å; L311-K315 WeakPolarHBondContact O-CB 3.32Å; L311-K315 WeakPolarHBondContact O-CG 3.38Å; L311-K315 PolarHBondContact O-N 2.77Å; L311-I354 HydrophobicContact CD2-CD1 3.78Å; L311-I354 HydrophobicContact CG-CD1 4.5Å; L311-M357 HydrophobicContact CD1-CE 3.95Å; L311-M357 HydrophobicContact CD2-CB 4.14Å; L311-L358 HydrophobicContact CD2-CD2 4.04Å
312	D	98.1	Very high	97.1	Very high	13 Å²	13	49.7 Å²	49.7	7%	0.07	25%	0.245	C	C	.	.	H	α-helix	trans	-68.8	-35.8	-179	-66.4	-32.8	0	0	0	112.8	Q308 Q309 I310 Q316 S317 R318 I323	Q308-D312 PolarHBondContact NE2-OD1 2.85Å; Q308-D312 PolarHBondContact NE2-OD2 2.74Å; Q308-D312 WeakPolarHBondContact O-CB 3.4Å; Q308-D312 PolarHBondContact O-N 3.24Å; Q308-D312 VanDerWaalsContact O-OD2 3.06Å; Q309-D312 PolarHBondContact O-N 2.92Å; I310-D312 VanDerWaalsContact C-N 3.29Å; I310-D312 PolarHBondContact O-N 2.83Å; D312-Q316 VanDerWaalsContact O-CA 3.3Å; D312-Q316 WeakPolarHBondContact O-CA 3.29Å; D312-Q316 PolarHBondContact O-N 3.39Å; D312-S317 WeakPolarHBondContact CA-OG 2.99Å; D312-S317 WeakPolarHBondContact CB-OG 3.14Å; D312-S317 PolarHBondContact O-N 3.06Å; D312-S317 VanDerWaalsContact O-N 3.07Å; D312-S317 PolarHBondContact OD1-OG 3.05Å; D312-R318 HydrophobicContact CB-CG 4.5Å; D312-R318 IonicContact OD2-CZ 3.63Å; D312-R318 IonicContact OD2-NE 2.89Å; D312-R318 PolarHBondContact OD2-NE 3.39Å; D312-R318 IonicContact OD2-NH2 3.69Å; D312-R318 PolarHBondContact OD2-NH2 3.1Å; D312-I323 HydrophobicContact CB-CD1 3.78Å; D312-I323 HydrophobicContact CB-CG1 4.48Å
313	I	98.1	Very high	97	Very high	47 Å²	47	49.7 Å²	49.7	24%	0.241	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-53	171.6	-68.7	166.1	0	0	0	109.8	Q309 I310 K315 Q316 L320 I323 M327 L371	Q309-I313 VanDerWaalsContact O-CG1 3.3Å; Q309-I313 WeakPolarHBondContact O-CG1 3.22Å; Q309-I313 PolarHBondContact O-N 3.24Å; I310-I313 PolarHBondContact O-N 2.88Å; I313-K315 VanDerWaalsContact C-N 3.35Å; I313-K315 PolarHBondContact O-N 3.41Å; I313-Q316 PolarHBondContact O-N 3.35Å; I313-L320 HydrophobicContact CD1-CD1 4.39Å; I313-L320 HydrophobicContact CG1-CD1 4.07Å; I313-I323 HydrophobicContact CD1-CG2 4.05Å; I313-I323 HydrophobicContact CG1-CD1 3.74Å; I313-I323 HydrophobicContact CG1-CG2 4.03Å; I313-M327 HydrophobicContact CD1-CE 4.04Å; I313-L371 HydrophobicContact CG2-CD1 4.39Å
314	L	97.9	Very high	96.9	Very high	30 Å²	30	51.5 Å²	51.5	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-68.6	-34.5	-174	-65	173.9	0	0	0	112.7	I310 L311 L358 Q367 A368 L371	I310-L314 HydrophobicContact CG2-CD1 3.82Å; I310-L314 HydrophobicContact CG2-CG 4.45Å; I310-L314 VanDerWaalsContact O-CG 3.29Å; I310-L314 WeakPolarHBondContact O-CG 3.42Å; I310-L314 PolarHBondContact O-N 3.28Å; L311-L314 PolarHBondContact O-N 3.31Å; L314-L358 HydrophobicContact CB-CD2 4.1Å; L314-L358 HydrophobicContact CD1-CD1 4.38Å; L314-L358 HydrophobicContact CD1-CD2 3.88Å; L314-Q367 HydrophobicContact CD2-CB 3.62Å; L314-A368 HydrophobicContact CD1-CB 3.53Å; L314-L371 HydrophobicContact CD2-CD1 4.39Å
315	K	97.2	Very high	96.7	Very high	93 Å²	93	52 Å²	52	40%	0.404	26%	0.261	S	S	.	.	H	α-helix	trans	-87.5	-7.2	176.6	-66.6	-166	172.3	-153.3	0	114	L311 I313 S317 M357	L311-K315 VanDerWaalsContact O-CB 3.24Å; L311-K315 WeakPolarHBondContact O-CB 3.32Å; L311-K315 WeakPolarHBondContact O-CG 3.38Å; L311-K315 PolarHBondContact O-N 2.77Å; I313-K315 VanDerWaalsContact C-N 3.35Å; I313-K315 PolarHBondContact O-N 3.41Å; K315-S317 PolarHBondContact O-N 3.15Å; K315-M357 WeakPolarHBondContact CE-O 3.48Å; K315-M357 PolarHBondContact NZ-O 3.06Å
316	Q	96.8	Very high	96.6	Very high	172 Å²	172	52.8 Å²	52.8	80%	0.804	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	40	-175.4	-54.8	173.3	36.3	0	0	111.9	D312 I313	D312-Q316 VanDerWaalsContact O-CA 3.3Å; D312-Q316 WeakPolarHBondContact O-CA 3.29Å; D312-Q316 PolarHBondContact O-N 3.39Å; I313-Q316 PolarHBondContact O-N 3.35Å
317	S	97	Very high	96.5	Very high	69 Å²	69	53.6 Å²	53.6	48%	0.483	27%	0.268	S	S	.	.			trans	-82.4	-20.1	-176.2	64.6	0	0	0	0	112.9	D312 K315	D312-S317 WeakPolarHBondContact CA-OG 2.99Å; D312-S317 WeakPolarHBondContact CB-OG 3.14Å; D312-S317 PolarHBondContact O-N 3.06Å; D312-S317 VanDerWaalsContact O-N 3.07Å; D312-S317 PolarHBondContact OD1-OG 3.05Å; K315-S317 PolarHBondContact O-N 3.15Å
318	R	95.7	Very high	96.2	Very high	79 Å²	79	56.3 Å²	56.3	30%	0.298	28%	0.283	S	S	.	.	S	Bend	trans	-136	160.6	178.7	-63.3	-168.2	-72.1	157.9	-1.6	110.1	D312 I323 E326	D312-R318 HydrophobicContact CB-CG 4.5Å; D312-R318 IonicContact OD2-CZ 3.63Å; D312-R318 IonicContact OD2-NE 2.89Å; D312-R318 PolarHBondContact OD2-NE 3.39Å; D312-R318 IonicContact OD2-NH2 3.69Å; D312-R318 PolarHBondContact OD2-NH2 3.1Å; R318-I323 HydrophobicContact CB-CD1 4.08Å; R318-I323 HydrophobicContact CB-CG1 4.04Å; R318-E326 IonicContact CZ-OE2 2.67Å; R318-E326 IonicContact NH1-OE1 3.21Å; R318-E326 IonicContact NH1-OE2 2.67Å; R318-E326 PolarHBondContact NH1-OE2 2.98Å; R318-E326 IonicContact NH2-OE2 2.75Å; R318-E326 PolarHBondContact NH2-OE2 2.89Å
319	L	95.2	Very high	96	Very high	121 Å²	121	54.3 Å²	54.3	63%	0.634	27%	0.272	S	S	*	.			trans	-64.5	135.2	173.1	-64.5	176.7	0	0	0	109.8	Q321 D322 I323	L319-Q321 PolarHBondContact O-N 3.21Å; L319-D322 HydrophobicContact CB-CB 4.46Å; L319-D322 PolarHBondContact O-N 2.88Å; L319-D322 VanDerWaalsContact O-N 3.14Å; L319-I323 WeakPolarHBondContact O-CG1 3.35Å; L319-I323 PolarHBondContact O-N 3.09Å
320	L	95.5	Very high	95.9	Very high	107 Å²	107	55.1 Å²	55.1	56%	0.56	28%	0.275	S	S	*	.	H	α-helix	trans	-57.8	-37.7	179.9	-179.7	61.7	0	0	0	112	I313 D322 I323 C324	I313-L320 HydrophobicContact CD1-CD1 4.39Å; I313-L320 HydrophobicContact CG1-CD1 4.07Å; L320-D322 PolarHBondContact O-N 2.97Å; L320-I323 PolarHBondContact O-N 2.86Å; L320-C324 PolarHBondContact O-N 2.98Å; L320-C324 PolarHBondContact O-SG 2.94Å; L320-C324 VanDerWaalsContact O-SG 3.32Å
321	Q	94.2	Very high	95.6	Very high	129 Å²	129	60 Å²	60	60%	0.603	30%	0.298	S	S	*	.	H	α-helix	trans	-57.9	-48.7	176.8	-179.4	172.9	-3.7	0	0	111.7	L319 I323 C324 E325	L319-Q321 PolarHBondContact O-N 3.21Å; Q321-I323 PolarHBondContact O-N 2.87Å; Q321-C324 PolarHBondContact O-N 3.39Å; Q321-E325 HydrophobicContact CG-CG 4.4Å; Q321-E325 PolarHBondContact NE2-OE1 3.21Å; Q321-E325 VanDerWaalsContact NE2-OE1 3.07Å; Q321-E325 WeakPolarHBondContact O-CB 2.97Å; Q321-E325 WeakPolarHBondContact O-CG 3.46Å; Q321-E325 PolarHBondContact O-N 3.44Å
322	D	94	Very high	95.3	Very high	34 Å²	34	65.8 Å²	65.8	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-37.2	179.2	-62.2	-3.1	0	0	0	111.5	Q46 L319 L320 E326	Q46-D322 PolarHBondContact NE2-OD2 3.19Å; L319-D322 HydrophobicContact CB-CB 4.46Å; L319-D322 PolarHBondContact O-N 2.88Å; L319-D322 VanDerWaalsContact O-N 3.14Å; L320-D322 PolarHBondContact O-N 2.97Å; D322-E326 VanDerWaalsContact O-CB 3.3Å; D322-E326 WeakPolarHBondContact O-CB 3.19Å; D322-E326 PolarHBondContact O-N 3.49Å
323	I	95.7	Very high	95.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-67.8	-46.1	177.8	-59.6	170	0	0	0	110.4	Q309 D312 I313 R318 L319 L320 Q321 E326 M327	Q309-I323 HydrophobicContact CB-CG2 3.83Å; Q309-I323 HydrophobicContact CG-CG2 4.05Å; D312-I323 HydrophobicContact CB-CD1 3.78Å; D312-I323 HydrophobicContact CB-CG1 4.48Å; I313-I323 HydrophobicContact CD1-CG2 4.05Å; I313-I323 HydrophobicContact CG1-CD1 3.74Å; I313-I323 HydrophobicContact CG1-CG2 4.03Å; R318-I323 HydrophobicContact CB-CD1 4.08Å; R318-I323 HydrophobicContact CB-CG1 4.04Å; L319-I323 WeakPolarHBondContact O-CG1 3.35Å; L319-I323 PolarHBondContact O-N 3.09Å; L320-I323 PolarHBondContact O-N 2.86Å; Q321-I323 PolarHBondContact O-N 2.87Å; I323-E326 WeakPolarHBondContact O-CB 3.48Å; I323-E326 PolarHBondContact O-N 2.83Å; I323-M327 HydrophobicContact CG2-CE 4Å; I323-M327 WeakPolarHBondContact O-CG 3.36Å; I323-M327 PolarHBondContact O-N 3.1Å
324	C	94.9	Very high	95	Very high	54 Å²	54	64 Å²	64	37%	0.365	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-43.9	178.2	-69.3	0	0	0	0	111.9	L320 Q321 E326 M327 I328	L320-C324 PolarHBondContact O-N 2.98Å; L320-C324 PolarHBondContact O-SG 2.94Å; L320-C324 VanDerWaalsContact O-SG 3.32Å; Q321-C324 PolarHBondContact O-N 3.39Å; C324-E326 VanDerWaalsContact C-N 3.28Å; C324-E326 PolarHBondContact O-N 2.94Å; C324-M327 WeakPolarHBondContact O-CB 3.34Å; C324-M327 PolarHBondContact O-N 3.44Å; C324-I328 WeakPolarHBondContact O-CG1 3.43Å; C324-I328 PolarHBondContact O-N 3.39Å
325	E	94.7	Very high	94.8	Very high	21 Å²	21	62.8 Å²	62.8	10%	0.098	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-40	174.7	-72.8	177.6	179.7	0	0	111.1	K44 G47 Q321 I328 R329	K44-E325 WeakPolarHBondContact CE-OE2 3.32Å; K44-E325 VanDerWaalsContact NZ-CD 3.32Å; K44-E325 IonicContact NZ-OE1 2.91Å; K44-E325 PolarHBondContact NZ-OE1 3.24Å; K44-E325 IonicContact NZ-OE2 3.77Å; K44-E325 PolarHBondContact NZ-OE2 2.86Å; G47-E325 WeakPolarHBondContact CA-O 3.3Å; Q321-E325 HydrophobicContact CG-CG 4.4Å; Q321-E325 PolarHBondContact NE2-OE1 3.21Å; Q321-E325 VanDerWaalsContact NE2-OE1 3.07Å; Q321-E325 WeakPolarHBondContact O-CB 2.97Å; Q321-E325 WeakPolarHBondContact O-CG 3.46Å; Q321-E325 PolarHBondContact O-N 3.44Å; E325-I328 PolarHBondContact O-N 3.02Å; E325-R329 PolarHBondContact O-N 3.27Å
326	E	94.5	Very high	94.6	Very high	26 Å²	26	61 Å²	61	12%	0.121	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-41.2	174.3	-173.2	179.5	-139.6	0	0	112.7	Q46 Q309 R318 D322 I323 C324 R329 Y330	Q46-E326 WeakPolarHBondContact O-CA 3.42Å; Q46-E326 PolarHBondContact O-N 2.95Å; Q309-E326 PolarHBondContact NE2-OE2 3.08Å; R318-E326 IonicContact CZ-OE2 2.67Å; R318-E326 IonicContact NH1-OE1 3.21Å; R318-E326 IonicContact NH1-OE2 2.67Å; R318-E326 PolarHBondContact NH1-OE2 2.98Å; R318-E326 IonicContact NH2-OE2 2.75Å; R318-E326 PolarHBondContact NH2-OE2 2.89Å; D322-E326 VanDerWaalsContact O-CB 3.3Å; D322-E326 WeakPolarHBondContact O-CB 3.19Å; D322-E326 PolarHBondContact O-N 3.49Å; I323-E326 WeakPolarHBondContact O-CB 3.48Å; I323-E326 PolarHBondContact O-N 2.83Å; C324-E326 VanDerWaalsContact C-N 3.28Å; C324-E326 PolarHBondContact O-N 2.94Å; E326-R329 WeakPolarHBondContact O-CB 3.05Å; E326-R329 PolarHBondContact O-N 3.2Å; E326-R329 IonicContact OE1-NH2 3.81Å; E326-R329 PolarHBondContact OE1-NH2 3.48Å; E326-Y330 HydrophobicContact CG-CD2 4.16Å; E326-Y330 HydrophobicContact CG-CE2 3.79Å; E326-Y330 WeakPolarHBondContact O-CD2 3.32Å; E326-Y330 PolarHBondContact O-N 3.26Å; E326-Y330 VanDerWaalsContact O-N 3.14Å
327	M	95.2	Very high	94.4	Very high	27 Å²	27	54.4 Å²	54.4	13%	0.133	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-46	174.1	-73	-179.9	175.5	0	0	111.7	L306 Q309 I313 I323 C324 R329 Y330 Q331 M375	L306-M327 HydrophobicContact CD1-CE 4.12Å; Q309-M327 HydrophobicContact CB-CE 3.62Å; Q309-M327 HydrophobicContact CG-CE 4.33Å; Q309-M327 VanDerWaalsContact OE1-CG 3.28Å; I313-M327 HydrophobicContact CD1-CE 4.04Å; I323-M327 HydrophobicContact CG2-CE 4Å; I323-M327 WeakPolarHBondContact O-CG 3.36Å; I323-M327 PolarHBondContact O-N 3.1Å; C324-M327 WeakPolarHBondContact O-CB 3.34Å; C324-M327 PolarHBondContact O-N 3.44Å; M327-R329 VanDerWaalsContact C-N 3.31Å; M327-R329 PolarHBondContact O-N 2.96Å; M327-Y330 PolarHBondContact O-N 3.44Å; M327-Q331 PolarHBondContact O-N 3.06Å; M327-Q331 VanDerWaalsContact O-N 3.11Å; M327-M375 HydrophobicContact CE-CE 4.05Å; M327-M375 HydrophobicContact SD-CE 3.95Å
328	I	93.5	Very high	94.4	Very high	76 Å²	76	51.1 Å²	51.1	39%	0.39	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-43.7	177.2	-67.8	164.1	0	0	0	110.1	C324 E325 Y330 Q331 E332	C324-I328 WeakPolarHBondContact O-CG1 3.43Å; C324-I328 PolarHBondContact O-N 3.39Å; E325-I328 PolarHBondContact O-N 3.02Å; I328-Y330 VanDerWaalsContact C-N 3.31Å; I328-Y330 PolarHBondContact O-N 3.36Å; I328-Q331 CarbonylContact O-C 3.48Å; I328-Q331 WeakPolarHBondContact O-CA 3.16Å; I328-Q331 WeakPolarHBondContact O-CB 3.16Å; I328-Q331 PolarHBondContact O-N 2.73Å; I328-E332 HydrophobicContact CG2-CG 4.25Å; I328-E332 WeakPolarHBondContact O-CG 3.44Å; I328-E332 PolarHBondContact O-N 3.46Å
329	R	94	Very high	94.4	Very high	31 Å²	31	48.8 Å²	48.8	12%	0.117	25%	0.25	C	S	.	.	H	α-helix	trans	-56	-43.9	175.4	-178.8	-164.6	68.1	166.8	-4.6	112.1	Q46 E325 E326 M327 Q331 E332 N333	Q46-R329 WeakPolarHBondContact O-CD 3.39Å; E325-R329 PolarHBondContact O-N 3.27Å; E326-R329 WeakPolarHBondContact O-CB 3.05Å; E326-R329 PolarHBondContact O-N 3.2Å; E326-R329 IonicContact OE1-NH2 3.81Å; E326-R329 PolarHBondContact OE1-NH2 3.48Å; M327-R329 VanDerWaalsContact C-N 3.31Å; M327-R329 PolarHBondContact O-N 2.96Å; R329-Q331 VanDerWaalsContact C-N 3.32Å; R329-Q331 PolarHBondContact O-N 2.8Å; R329-E332 PolarHBondContact O-N 2.72Å; R329-N333 VanDerWaalsContact O-CB 3.28Å; R329-N333 WeakPolarHBondContact O-CB 3.49Å; R329-N333 VanDerWaalsContact O-CG 3.26Å; R329-N333 PolarHBondContact O-N 3.23Å
330	Y	94.3	Very high	94.4	Very high	24 Å²	24	46.5 Å²	46.5	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-40.3	176.3	-80.2	-74.3	0	0	0	111.9	D279 P305 E326 M327 I328 E332 N333 Y334	D279-Y330 HydrophobicContact CB-CD1 4.44Å; D279-Y330 HydrophobicContact CB-CE1 3.61Å; P305-Y330 HydrophobicContact CB-CD2 4.44Å; P305-Y330 HydrophobicContact CB-CE1 3.94Å; P305-Y330 HydrophobicContact CB-CE2 3.71Å; P305-Y330 VanDerWaalsContact CB-CZ 3.43Å; P305-Y330 WeakPolarHBondContact CB-OH 3.47Å; P305-Y330 HydrophobicContact CG-CE1 3.89Å; P305-Y330 HydrophobicContact CG-CE2 4.49Å; P305-Y330 WeakPolarHBondContact CG-OH 3.44Å; E326-Y330 HydrophobicContact CG-CD2 4.16Å; E326-Y330 HydrophobicContact CG-CE2 3.79Å; E326-Y330 WeakPolarHBondContact O-CD2 3.32Å; E326-Y330 PolarHBondContact O-N 3.26Å; E326-Y330 VanDerWaalsContact O-N 3.14Å; M327-Y330 PolarHBondContact O-N 3.44Å; I328-Y330 VanDerWaalsContact C-N 3.31Å; I328-Y330 PolarHBondContact O-N 3.36Å; Y330-E332 VanDerWaalsContact C-N 3.31Å; Y330-E332 PolarHBondContact O-N 2.77Å; Y330-N333 PolarHBondContact O-N 2.68Å; Y330-Y334 HydrophobicContact CD1-CD2 4.36Å; Y330-Y334 AromaticContact CD1-CE2 3.63Å; Y330-Y334 HydrophobicContact CD1-CE2 3.63Å; Y330-Y334 HydrophobicContact CE1-CE2 4.46Å; Y330-Y334 HydrophobicContact CG-CE2 4.45Å; Y330-Y334 WeakPolarHBondContact O-CD2 3.45Å; Y330-Y334 PolarHBondContact O-N 3.21Å; Y330-Y334 VanDerWaalsContact O-N 3.08Å
331	Q	93.4	Very high	94.4	Very high	103 Å²	103	41.4 Å²	41.4	48%	0.481	21%	0.207	S	C	.	.	H	α-helix	trans	-63.1	-36.1	175.3	-176.1	-179	-9.9	0	0	112.4	M327 I328 R329 Y339	M327-Q331 PolarHBondContact O-N 3.06Å; M327-Q331 VanDerWaalsContact O-N 3.11Å; I328-Q331 CarbonylContact O-C 3.48Å; I328-Q331 WeakPolarHBondContact O-CA 3.16Å; I328-Q331 WeakPolarHBondContact O-CB 3.16Å; I328-Q331 PolarHBondContact O-N 2.73Å; R329-Q331 VanDerWaalsContact C-N 3.32Å; R329-Q331 PolarHBondContact O-N 2.8Å; Q331-Y339 HydrophobicContact CB-CD2 4.42Å; Q331-Y339 HydrophobicContact CB-CE1 4.24Å; Q331-Y339 HydrophobicContact CB-CE2 3.95Å; Q331-Y339 HydrophobicContact CG-CD1 4.26Å; Q331-Y339 HydrophobicContact CG-CE1 3.92Å; Q331-Y339 HydrophobicContact CG-CE2 4.48Å
332	E	92.5	Very high	94.6	Very high	125 Å²	125	35.3 Å²	35.3	58%	0.584	18%	0.178	S	C	*	.	H	α-helix	trans	-74.5	-38.5	177	-69.3	173.8	157.1	0	0	112.6	I328 R329 Y330	I328-E332 HydrophobicContact CG2-CG 4.25Å; I328-E332 WeakPolarHBondContact O-CG 3.44Å; I328-E332 PolarHBondContact O-N 3.46Å; R329-E332 PolarHBondContact O-N 2.72Å; Y330-E332 VanDerWaalsContact C-N 3.31Å; Y330-E332 PolarHBondContact O-N 2.77Å
333	N	93.4	Very high	94.8	Very high	11 Å²	11	33.7 Å²	33.7	6%	0.059	17%	0.17	C	C	.	.	H	α-helix	trans	-73	-34.5	-177.5	-80.8	-0.9	0	0	0	112.8	T65 D279 R329 Y330	T65-N333 WeakPolarHBondContact CB-O 3.43Å; T65-N333 PolarHBondContact OG1-O 3.21Å; D279-N333 PolarHBondContact OD2-ND2 2.81Å; R329-N333 VanDerWaalsContact O-CB 3.28Å; R329-N333 WeakPolarHBondContact O-CB 3.49Å; R329-N333 VanDerWaalsContact O-CG 3.26Å; R329-N333 PolarHBondContact O-N 3.23Å; Y330-N333 PolarHBondContact O-N 2.68Å
334	Y	95.2	Very high	94.9	Very high	11 Å²	11	33.7 Å²	33.7	4%	0.043	17%	0.17	C	C	.	.	S	Bend	trans	-86.6	141.1	-177.3	-74.6	-53.9	0	0	0	112.5	D279 A280 V293 Y330 A336 F338 Y339	D279-Y334 PolarHBondContact OD1-OH 2.99Å; A280-Y334 HydrophobicContact CB-CE1 4Å; A280-Y334 PolarHBondContact N-OH 3.37Å; V293-Y334 HydrophobicContact CG1-CD1 3.98Å; V293-Y334 HydrophobicContact CG1-CE1 4Å; Y330-Y334 HydrophobicContact CD1-CD2 4.36Å; Y330-Y334 AromaticContact CD1-CE2 3.63Å; Y330-Y334 HydrophobicContact CD1-CE2 3.63Å; Y330-Y334 HydrophobicContact CE1-CE2 4.46Å; Y330-Y334 HydrophobicContact CG-CE2 4.45Å; Y330-Y334 WeakPolarHBondContact O-CD2 3.45Å; Y330-Y334 PolarHBondContact O-N 3.21Å; Y330-Y334 VanDerWaalsContact O-N 3.08Å; Y334-A336 PolarHBondContact O-N 2.94Å; Y334-F338 AromaticContact CD1-CD1 3.35Å; Y334-F338 HydrophobicContact CD1-CD1 3.35Å; Y334-F338 AromaticContact CD1-CE1 3.61Å; Y334-F338 HydrophobicContact CD1-CE1 3.61Å; Y334-F338 HydrophobicContact CD1-CG 4.4Å; Y334-F338 AromaticContact CE1-CD1 3.69Å; Y334-F338 HydrophobicContact CE1-CD1 3.69Å; Y334-F338 AromaticContact CE1-CE1 3.4Å; Y334-F338 HydrophobicContact CE1-CE1 3.4Å; Y334-F338 HydrophobicContact CE1-CZ 4.47Å; Y334-F338 AromaticContact CG-CD1 3.94Å; Y334-F338 HydrophobicContact CG-CD1 3.94Å; Y334-F338 HydrophobicContact CG-CE1 4.46Å; Y334-Y339 HydrophobicContact CD2-CD2 4.12Å
335	P	94.7	Very high	95	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.032	15%	0.153	C	C	.	.			trans	-51.4	138.4	159.7	-22.6	32.4	0	0	0	110	T65 Y67 V293 D337 F338 Y339	T65-P335 HydrophobicContact CG2-CG 4.19Å; Y67-P335 HydrophobicContact CD1-CB 3.64Å; Y67-P335 HydrophobicContact CD1-CG 3.58Å; Y67-P335 HydrophobicContact CD2-CB 4.37Å; Y67-P335 HydrophobicContact CE1-CB 3.63Å; Y67-P335 HydrophobicContact CE1-CG 4.1Å; Y67-P335 HydrophobicContact CE2-CB 4.35Å; Y67-P335 HydrophobicContact CG-CB 4.02Å; Y67-P335 HydrophobicContact CG-CG 3.89Å; V293-P335 HydrophobicContact CB-CG 4.18Å; V293-P335 WeakPolarHBondContact O-CG 3.28Å; P335-D337 VanDerWaalsContact C-N 3.31Å; P335-D337 PolarHBondContact O-N 3.48Å; P335-F338 HydrophobicContact CB-CB 4.13Å; P335-F338 HydrophobicContact CG-CB 4.32Å; P335-F338 WeakPolarHBondContact O-CA 3.43Å; P335-F338 WeakPolarHBondContact O-CB 3.49Å; P335-F338 PolarHBondContact O-N 2.94Å; P335-Y339 PolarHBondContact O-N 3.35Å
336	A	92.3	Very high	95.2	Very high	55 Å²	55	30.2 Å²	30.2	46%	0.455	15%	0.148	S	C	.	.	H	α-helix	trans	-52.6	-47.4	-172.8	0	0	0	0	0	112.6	Y334 F338 Y339 Y340	Y334-A336 PolarHBondContact O-N 2.94Å; A336-F338 PolarHBondContact O-N 3.45Å; A336-Y339 WeakPolarHBondContact O-CB 3.34Å; A336-Y339 PolarHBondContact O-N 3.06Å; A336-Y340 WeakPolarHBondContact O-CD2 3.43Å; A336-Y340 PolarHBondContact O-N 3.23Å
337	D	93.4	Very high	95.3	Very high	34 Å²	34	29 Å²	29	18%	0.182	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-42.7	178	-70.3	-66.3	0	0	0	112.5	P70 E71 R78 P335 Y339 Y340 N341	P70-D337 WeakPolarHBondContact CB-OD2 3.41Å; E71-D337 HydrophobicContact CB-CB 4.45Å; E71-D337 WeakPolarHBondContact O-CB 3.49Å; R78-D337 IonicContact CZ-OD1 3.55Å; R78-D337 IonicContact NH1-OD1 3.38Å; R78-D337 PolarHBondContact NH1-OD1 2.83Å; R78-D337 VanDerWaalsContact NH2-CA 3.33Å; R78-D337 VanDerWaalsContact NH2-CB 3.29Å; R78-D337 PolarHBondContact NH2-O 3.36Å; R78-D337 IonicContact NH2-OD1 3.44Å; R78-D337 PolarHBondContact NH2-OD1 3.07Å; P335-D337 VanDerWaalsContact C-N 3.31Å; P335-D337 PolarHBondContact O-N 3.48Å; D337-Y339 VanDerWaalsContact C-N 3.32Å; D337-Y339 PolarHBondContact O-N 2.88Å; D337-Y340 PolarHBondContact O-N 2.83Å; D337-N341 WeakPolarHBondContact O-CB 3.44Å; D337-N341 PolarHBondContact O-N 3.35Å; D337-N341 PolarHBondContact O-ND2 2.83Å; D337-N341 VanDerWaalsContact O-ND2 3.1Å; D337-N341 PolarHBondContact O-OD1 2.97Å; D337-N341 VanDerWaalsContact O-OD1 3.08Å
338	F	95.7	Very high	95.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-38.2	177.9	-168.6	-83.1	0	0	0	111.7	E71 A280 V293 L298 V301 Y334 P335 A336 N341 Q342	E71-F338 HydrophobicContact CG-CD2 4.18Å; A280-F338 HydrophobicContact CB-CE1 4.29Å; A280-F338 HydrophobicContact CB-CZ 4.22Å; V293-F338 HydrophobicContact CB-CD2 4.38Å; V293-F338 HydrophobicContact CB-CE2 4.44Å; V293-F338 HydrophobicContact CG1-CD1 3.92Å; V293-F338 HydrophobicContact CG1-CD2 4.03Å; V293-F338 HydrophobicContact CG1-CE1 3.65Å; V293-F338 HydrophobicContact CG1-CE2 3.76Å; V293-F338 HydrophobicContact CG1-CG 4.11Å; V293-F338 HydrophobicContact CG1-CZ 3.57Å; L298-F338 HydrophobicContact CB-CE2 4.11Å; L298-F338 WeakPolarHBondContact O-CD2 3.39Å; L298-F338 WeakPolarHBondContact O-CE2 3.46Å; V301-F338 HydrophobicContact CG1-CZ 3.99Å; V301-F338 HydrophobicContact CG2-CE1 4.33Å; V301-F338 HydrophobicContact CG2-CZ 4.45Å; Y334-F338 AromaticContact CD1-CD1 3.35Å; Y334-F338 HydrophobicContact CD1-CD1 3.35Å; Y334-F338 AromaticContact CD1-CE1 3.61Å; Y334-F338 HydrophobicContact CD1-CE1 3.61Å; Y334-F338 HydrophobicContact CD1-CG 4.4Å; Y334-F338 AromaticContact CE1-CD1 3.69Å; Y334-F338 HydrophobicContact CE1-CD1 3.69Å; Y334-F338 AromaticContact CE1-CE1 3.4Å; Y334-F338 HydrophobicContact CE1-CE1 3.4Å; Y334-F338 HydrophobicContact CE1-CZ 4.47Å; Y334-F338 AromaticContact CG-CD1 3.94Å; Y334-F338 HydrophobicContact CG-CD1 3.94Å; Y334-F338 HydrophobicContact CG-CE1 4.46Å; P335-F338 HydrophobicContact CB-CB 4.13Å; P335-F338 HydrophobicContact CG-CB 4.32Å; P335-F338 WeakPolarHBondContact O-CA 3.43Å; P335-F338 WeakPolarHBondContact O-CB 3.49Å; P335-F338 PolarHBondContact O-N 2.94Å; A336-F338 PolarHBondContact O-N 3.45Å; F338-N341 PolarHBondContact O-N 3.13Å; F338-Q342 PolarHBondContact O-N 3.37Å; F338-Q342 PolarHBondContact O-NE2 3.5Å
339	Y	95.7	Very high	95.6	Very high	30 Å²	30	24 Å²	24	12%	0.118	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-44.4	174.4	-179.4	-108.7	0	0	0	112.2	Q331 Y334 P335 A336 D337 N341 Q342 P376	Q331-Y339 HydrophobicContact CB-CD2 4.42Å; Q331-Y339 HydrophobicContact CB-CE1 4.24Å; Q331-Y339 HydrophobicContact CB-CE2 3.95Å; Q331-Y339 HydrophobicContact CG-CD1 4.26Å; Q331-Y339 HydrophobicContact CG-CE1 3.92Å; Q331-Y339 HydrophobicContact CG-CE2 4.48Å; Y334-Y339 HydrophobicContact CD2-CD2 4.12Å; P335-Y339 PolarHBondContact O-N 3.35Å; A336-Y339 WeakPolarHBondContact O-CB 3.34Å; A336-Y339 PolarHBondContact O-N 3.06Å; D337-Y339 VanDerWaalsContact C-N 3.32Å; D337-Y339 PolarHBondContact O-N 2.88Å; Y339-N341 PolarHBondContact O-N 2.97Å; Y339-Q342 VanDerWaalsContact O-CG 3.24Å; Y339-Q342 WeakPolarHBondContact O-CG 3.15Å; Y339-P376 HydrophobicContact CD1-CB 4.12Å; Y339-P376 HydrophobicContact CE1-CB 3.44Å; Y339-P376 VanDerWaalsContact CE1-CB 3.44Å; Y339-P376 HydrophobicContact CE1-CG 3.7Å
340	Y	95.2	Very high	95.7	Very high	73 Å²	73	25.5 Å²	25.5	29%	0.286	13%	0.128	S	C	.	.	H	α-helix	trans	-74.1	-14.1	176.9	-69.8	-64.6	0	0	0	114	A336 D337 P376 I378 F428	A336-Y340 WeakPolarHBondContact O-CD2 3.43Å; A336-Y340 PolarHBondContact O-N 3.23Å; D337-Y340 PolarHBondContact O-N 2.83Å; Y340-P376 HydrophobicContact CD1-CB 3.94Å; Y340-P376 HydrophobicContact CE1-CB 3.94Å; Y340-P376 HydrophobicContact CE1-CG 4.42Å; Y340-I378 VanDerWaalsContact O-CD1 3.25Å; Y340-I378 WeakPolarHBondContact O-CD1 3.14Å; Y340-F428 HydrophobicContact CD1-CB 3.8Å; Y340-F428 HydrophobicContact CD1-CD1 4.5Å; Y340-F428 HydrophobicContact CD1-CG 4.13Å; Y340-F428 HydrophobicContact CE1-CB 3.73Å; Y340-F428 HydrophobicContact CE1-CD1 4.04Å; Y340-F428 HydrophobicContact CE1-CG 4.05Å
341	N	96.2	Very high	95.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	1.7	179.9	-65.1	-13	0	0	0	113.8	E71 A73 Y77 R78 Q299 D337 F338 Y339 I378	E71-N341 PolarHBondContact O-ND2 3.04Å; A73-N341 VanDerWaalsContact CB-OD1 3.23Å; A73-N341 WeakPolarHBondContact CB-OD1 3.45Å; Y77-N341 HydrophobicContact CE1-CB 4.11Å; Y77-N341 WeakPolarHBondContact CE1-O 3.27Å; Y77-N341 PolarHBondContact OH-O 3.16Å; R78-N341 PolarHBondContact NE-OD1 3.01Å; R78-N341 PolarHBondContact NH2-OD1 3Å; Q299-N341 WeakPolarHBondContact O-CB 2.81Å; Q299-N341 PolarHBondContact O-ND2 2.94Å; D337-N341 WeakPolarHBondContact O-CB 3.44Å; D337-N341 PolarHBondContact O-N 3.35Å; D337-N341 PolarHBondContact O-ND2 2.83Å; D337-N341 VanDerWaalsContact O-ND2 3.1Å; D337-N341 PolarHBondContact O-OD1 2.97Å; D337-N341 VanDerWaalsContact O-OD1 3.08Å; F338-N341 PolarHBondContact O-N 3.13Å; Y339-N341 PolarHBondContact O-N 2.97Å; N341-I378 VanDerWaalsContact C-CD1 3.47Å
342	Q	97.5	Very high	96.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.116	C	C	.	.			trans	-61.4	138.1	179.3	-64.1	-59.1	-70.1	0	0	111.5	N303 F338 Y339 N344 G377 I378	N303-Q342 HydrophobicContact CB-CB 4.12Å; F338-Q342 PolarHBondContact O-N 3.37Å; F338-Q342 PolarHBondContact O-NE2 3.5Å; Y339-Q342 VanDerWaalsContact O-CG 3.24Å; Y339-Q342 WeakPolarHBondContact O-CG 3.15Å; Q342-N344 PolarHBondContact O-N 3.08Å; Q342-G377 CarbonylContact O-C 3.55Å; Q342-G377 WeakPolarHBondContact O-CA 3.28Å; Q342-I378 WeakPolarHBondContact O-CD1 3.5Å; Q342-I378 PolarHBondContact O-N 3.38Å
343	L	98.2	Very high	96.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	102.5	174.5	-168.7	72	0	0	0	108.7	F82 I273 V301 N303 N345 I378 C380	F82-L343 HydrophobicContact CB-CD1 4.03Å; F82-L343 HydrophobicContact CD1-CD1 4.2Å; F82-L343 HydrophobicContact CD2-CD1 3.85Å; F82-L343 HydrophobicContact CE2-CD1 4.33Å; F82-L343 HydrophobicContact CG-CD1 3.76Å; I273-L343 HydrophobicContact CD1-CB 4.31Å; I273-L343 HydrophobicContact CD1-CD2 3.77Å; V301-L343 PolarHBondContact O-N 2.91Å; N303-L343 VanDerWaalsContact CB-O 3.3Å; N303-L343 WeakPolarHBondContact CB-O 3.28Å; N303-L343 PolarHBondContact N-O 2.63Å; L343-N345 PolarHBondContact O-N 2.93Å; L343-N345 PolarHBondContact O-OD1 3.39Å; L343-I378 CarbonylContact C-O 3.43Å; L343-I378 HydrophobicContact CD1-CB 4.17Å; L343-I378 HydrophobicContact CD1-CG2 4.03Å; L343-C380 HydrophobicContact CD1-CB 3.81Å; L343-C380 HydrophobicContact CD2-CB 4.13Å; L343-C380 HydrophobicContact CG-CB 3.73Å
344	N	98.3	Very high	96.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	112.1	-176.5	-65.6	-11.8	0	0	0	110.6	N303 L306 Q342 M372 M375 P376 I378 P379 C380	N303-N344 PolarHBondContact ND2-OD1 2.93Å; L306-N344 HydrophobicContact CD2-CB 3.92Å; L306-N344 VanDerWaalsContact CD2-CG 3.41Å; L306-N344 WeakPolarHBondContact CD2-OD1 3.29Å; Q342-N344 PolarHBondContact O-N 3.08Å; N344-M372 HydrophobicContact CB-CG 3.94Å; N344-M372 VanDerWaalsContact O-SD 3.4Å; N344-M375 PolarHBondContact ND2-O 2.96Å; N344-P376 PolarHBondContact ND2-O 3.1Å; N344-I378 PolarHBondContact N-O 2.94Å; N344-P379 CarbonylContact O-C 3.54Å; N344-C380 PolarHBondContact O-N 3.38Å
345	N	97.9	Very high	96.7	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.1	-177.9	57.5	-86.3	0	0	0	111.1	N303 R307 L343 T348 C380	N303-N345 PolarHBondContact N-OD1 3.34Å; R307-N345 VanDerWaalsContact CB-O 3.29Å; R307-N345 WeakPolarHBondContact CB-O 3.33Å; L343-N345 PolarHBondContact O-N 2.93Å; L343-N345 PolarHBondContact O-OD1 3.39Å; N345-T348 HydrophobicContact CB-CG2 4.02Å; N345-T348 WeakPolarHBondContact ND2-CG2 3.47Å; N345-C380 HydrophobicContact CB-CB 4.37Å
346	I	97.8	Very high	96.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.099	C	C	.	.	S	Bend	trans	-105.2	-21.5	171.3	61.3	-177.4	0	0	0	113.2	R307 I310 I354 A368 W369 M372	R307-I346 WeakPolarHBondContact CD-O 3.46Å; R307-I346 PolarHBondContact NE-O 2.88Å; I310-I346 HydrophobicContact CD1-CG2 3.87Å; I310-I346 HydrophobicContact CG2-CG2 4.43Å; I346-I354 HydrophobicContact CB-CD1 4.09Å; I346-I354 HydrophobicContact CB-CG1 4.15Å; I346-I354 HydrophobicContact CD1-CG1 3.92Å; I346-I354 HydrophobicContact CG1-CB 4.36Å; I346-I354 HydrophobicContact CG1-CD1 4.48Å; I346-I354 HydrophobicContact CG1-CG1 3.99Å; I346-I354 HydrophobicContact CG1-CG2 4.47Å; I346-A368 HydrophobicContact CD1-CB 3.78Å; I346-W369 HydrophobicContact CD1-CD2 3.7Å; I346-W369 HydrophobicContact CD1-CE3 3.75Å; I346-W369 HydrophobicContact CD1-CG 4.39Å; I346-W369 HydrophobicContact CD1-CH2 3.89Å; I346-W369 HydrophobicContact CD1-CZ2 3.73Å; I346-W369 HydrophobicContact CD1-CZ3 3.89Å; I346-W369 HydrophobicContact CG1-CE3 4.39Å; I346-W369 HydrophobicContact CG1-CH2 3.88Å; I346-W369 HydrophobicContact CG1-CZ2 4.07Å; I346-W369 HydrophobicContact CG1-CZ3 4.03Å; I346-M372 HydrophobicContact CB-SD 4.35Å; I346-M372 HydrophobicContact CD1-SD 4.26Å; I346-M372 HydrophobicContact CG1-SD 3.89Å; I346-M372 HydrophobicContact CG2-CB 4.04Å; I346-M372 HydrophobicContact CG2-CG 3.97Å; I346-M372 HydrophobicContact CG2-SD 3.97Å
347	G	96.6	Very high	97.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.			trans	-126.7	149.8	169	0	0	0	0	0	110.4	Y382	G347-Y382 WeakPolarHBondContact O-CB 3.47Å
348	T	97.9	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.			trans	-153.6	172.4	174.2	67.2	0	0	0	0	109.4	M302 Y304 N345 D350 T351 Y382	M302-T348 HydrophobicContact CE-CG2 3.65Å; Y304-T348 HydrophobicContact CE1-CG2 4.05Å; N345-T348 HydrophobicContact CB-CG2 4.02Å; N345-T348 WeakPolarHBondContact ND2-CG2 3.47Å; T348-D350 PolarHBondContact O-N 3.14Å; T348-D350 PolarHBondContact OG1-N 3.39Å; T348-T351 PolarHBondContact N-OG1 2.95Å; T348-T351 PolarHBondContact O-N 3.32Å; T348-T351 VanDerWaalsContact O-O 3.08Å; T348-T351 PolarHBondContact O-OG1 3.22Å; T348-T351 WeakPolarHBondContact OG1-CG2 3.3Å; T348-T351 PolarHBondContact OG1-N 3.21Å; T348-T351 PolarHBondContact OG1-OG1 3.45Å; T348-T351 VanDerWaalsContact OG1-OG1 3.1Å; T348-Y382 VanDerWaalsContact C-CE1 3.43Å; T348-Y382 VanDerWaalsContact O-CE1 3.25Å; T348-Y382 WeakPolarHBondContact O-CE1 3.33Å
349	H	97	Very high	97.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.5	172.6	68.5	-78.2	0	0	0	115.2	Q84 F86 N157 Y168 Y382 N397 R398	Q84-H349 PolarHBondContact NE2-CE1 3.04Å; Q84-H349 PolarHBondContact NE2-ND1 2.95Å; F86-H349 HydrophobicContact CD2-CB 4.42Å; N157-H349 PolarHBondContact ND2-CD2 3.25Å; N157-H349 PolarHBondContact ND2-CE1 3.48Å; N157-H349 PolarHBondContact ND2-ND1 2.72Å; N157-H349 VanDerWaalsContact ND2-ND1 3.17Å; Y168-H349 AromaticContact CE2-NE2 3.87Å; Y168-H349 AromaticContact CZ-CD2 3.97Å; Y168-H349 AromaticContact CZ-NE2 3.34Å; Y168-H349 VanDerWaalsContact CZ-NE2 3.34Å; Y168-H349 PolarHBondContact OH-CE1 2.88Å; Y168-H349 VanDerWaalsContact OH-CE1 3.22Å; Y168-H349 PolarHBondContact OH-NE2 3.17Å; H349-Y382 WeakPolarHBondContact CA-OH 3.44Å; H349-Y382 HydrophobicContact CB-CE2 4.05Å; H349-N397 VanDerWaalsContact C-ND2 3.3Å; H349-N397 PolarHBondContact O-ND2 2.83Å; H349-R398 PolarHBondContact O-NE 3.05Å; H349-R398 PolarHBondContact O-NH2 3.44Å; H349-R398 VanDerWaalsContact O-NH2 3.13Å
350	D	96.5	Very high	97.5	Very high	62 Å²	62	24 Å²	24	33%	0.332	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-8.6	177.6	-62.9	-44.7	0	0	0	113.6	R245 W277 T348 R398	R245-D350 IonicContact NH2-OD2 3.73Å; W277-D350 HydrophobicContact CH2-CB 4.05Å; W277-D350 HydrophobicContact CZ2-CB 3.83Å; T348-D350 PolarHBondContact O-N 3.14Å; T348-D350 PolarHBondContact OG1-N 3.39Å; D350-R398 IonicContact OD1-NH2 3.46Å
351	T	97.6	Very high	97.6	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.055	13%	0.133	C	C	.	.	S	Bend	trans	-114.3	150.2	-178	60.1	0	0	0	0	110.8	W277 Y304 T348 N397	W277-T351 HydrophobicContact CH2-CG2 4Å; W277-T351 HydrophobicContact CZ3-CG2 4.28Å; Y304-T351 HydrophobicContact CE1-CG2 4.08Å; T348-T351 PolarHBondContact N-OG1 2.95Å; T348-T351 PolarHBondContact O-N 3.32Å; T348-T351 VanDerWaalsContact O-O 3.08Å; T348-T351 PolarHBondContact O-OG1 3.22Å; T348-T351 WeakPolarHBondContact OG1-CG2 3.3Å; T348-T351 PolarHBondContact OG1-N 3.21Å; T348-T351 PolarHBondContact OG1-OG1 3.45Å; T348-T351 VanDerWaalsContact OG1-OG1 3.1Å; T351-N397 PolarHBondContact O-ND2 3.46Å
352	E	98.4	Very high	97.5	Very high	60 Å²	60	23.9 Å²	23.9	28%	0.28	14%	0.141	S	C	.	.			trans	-53.8	146.8	164.6	-53.7	-175.9	-141.7	0	0	110	I354 M357 K393	E352-I354 PolarHBondContact O-N 2.88Å; E352-M357 HydrophobicContact CB-CG 3.9Å; E352-M357 HydrophobicContact CB-SD 3.88Å; E352-M357 HydrophobicContact CG-SD 4.39Å; E352-K393 HydrophobicContact CG-CG 3.67Å; E352-K393 WeakPolarHBondContact OE1-CE 3.47Å
353	R	98.4	Very high	97.4	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	16%	0.163	C	C	.	.			trans	-58.1	138.8	-178.7	-69.9	-74.6	-179.5	171.1	0.6	109.9	L355 T356 M357 Y382 Y383 D385 G391 N397	R353-L355 VanDerWaalsContact C-N 3.27Å; R353-L355 PolarHBondContact O-N 3.43Å; R353-T356 WeakPolarHBondContact O-CB 3.04Å; R353-T356 PolarHBondContact O-N 3.28Å; R353-M357 PolarHBondContact O-N 3.41Å; R353-Y382 VanDerWaalsContact CZ-CD1 3.47Å; R353-Y382 VanDerWaalsContact NH2-CE1 3.31Å; R353-Y383 PolarHBondContact NH1-O 2.82Å; R353-Y383 VanDerWaalsContact NH2-CZ 3.34Å; R353-Y383 PolarHBondContact NH2-O 2.92Å; R353-Y383 PolarHBondContact NH2-OH 3.18Å; R353-D385 WeakPolarHBondContact CD-OD1 3.24Å; R353-D385 IonicContact CZ-OD1 2.91Å; R353-D385 IonicContact NE-OD1 3.7Å; R353-D385 IonicContact NH1-OD1 3.86Å; R353-D385 PolarHBondContact NH1-OD1 3.27Å; R353-G391 WeakPolarHBondContact CB-O 3.44Å; R353-G391 PolarHBondContact N-O 3.1Å; R353-N397 HydrophobicContact CG-CB 4.01Å; R353-N397 PolarHBondContact NE-O 2.93Å; R353-N397 PolarHBondContact NH2-O 3.42Å
354	I	98.3	Very high	97.3	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-37.1	-173.9	-174.9	59.8	0	0	0	112.1	L311 I346 E352 T356 M357 L358 L365 W369 D385	L311-I354 HydrophobicContact CD2-CD1 3.78Å; L311-I354 HydrophobicContact CG-CD1 4.5Å; I346-I354 HydrophobicContact CB-CD1 4.09Å; I346-I354 HydrophobicContact CB-CG1 4.15Å; I346-I354 HydrophobicContact CD1-CG1 3.92Å; I346-I354 HydrophobicContact CG1-CB 4.36Å; I346-I354 HydrophobicContact CG1-CD1 4.48Å; I346-I354 HydrophobicContact CG1-CG1 3.99Å; I346-I354 HydrophobicContact CG1-CG2 4.47Å; E352-I354 PolarHBondContact O-N 2.88Å; I354-T356 VanDerWaalsContact C-N 3.35Å; I354-T356 PolarHBondContact O-N 2.86Å; I354-M357 WeakPolarHBondContact O-CB 3.34Å; I354-M357 PolarHBondContact O-N 2.84Å; I354-L358 HydrophobicContact CD1-CD1 4.12Å; I354-L358 HydrophobicContact CD1-CG 4.23Å; I354-L358 HydrophobicContact CG1-CD1 3.93Å; I354-L358 HydrophobicContact CG1-CG 4.44Å; I354-L358 VanDerWaalsContact O-CG 3.3Å; I354-L358 WeakPolarHBondContact O-CG 3.46Å; I354-L358 PolarHBondContact O-N 3.44Å; I354-L365 HydrophobicContact CB-CD1 4.3Å; I354-L365 HydrophobicContact CG1-CD1 3.87Å; I354-L365 HydrophobicContact CG2-CD1 3.5Å; I354-L365 VanDerWaalsContact CG2-CD1 3.5Å; I354-W369 HydrophobicContact CG2-CZ2 4.34Å; I354-D385 HydrophobicContact CG2-CB 4.28Å; I354-D385 WeakPolarHBondContact CG2-OD2 3.42Å
355	L	97.6	Very high	97.3	Very high	14 Å²	14	29.6 Å²	29.6	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-37.4	176.9	-173.7	56.3	0	0	0	112.3	R353 L358 D359 G360 L365 T390	R353-L355 VanDerWaalsContact C-N 3.27Å; R353-L355 PolarHBondContact O-N 3.43Å; L355-L358 CarbonylContact O-C 3.54Å; L355-L358 PolarHBondContact O-N 3.48Å; L355-D359 PolarHBondContact O-N 3.3Å; L355-G360 WeakPolarHBondContact O-CA 3.41Å; L355-G360 PolarHBondContact O-N 3.08Å; L355-L365 HydrophobicContact CB-CD2 4.19Å; L355-L365 HydrophobicContact CD1-CB 4.35Å; L355-L365 HydrophobicContact CD1-CD2 3.97Å; L355-L365 HydrophobicContact CG-CD2 4.46Å; L355-T390 HydrophobicContact CB-CG2 4.29Å; L355-T390 HydrophobicContact CD2-CG2 3.82Å; L355-T390 HydrophobicContact CG-CG2 4.03Å
356	T	98.2	Very high	97.2	Very high	46 Å²	46	31.5 Å²	31.5	28%	0.282	18%	0.181	S	C	.	.	H	α-helix	trans	-65.7	-43.9	173	-65	0	0	0	0	110.9	R353 I354 L358 D359 T390 G391	R353-T356 WeakPolarHBondContact O-CB 3.04Å; R353-T356 PolarHBondContact O-N 3.28Å; I354-T356 VanDerWaalsContact C-N 3.35Å; I354-T356 PolarHBondContact O-N 2.86Å; T356-L358 PolarHBondContact O-N 2.87Å; T356-D359 PolarHBondContact O-N 3.21Å; T356-D359 VanDerWaalsContact O-N 3.1Å; T356-T390 WeakPolarHBondContact OG1-CB 3.49Å; T356-G391 PolarHBondContact OG1-N 3.48Å
357	M	98.1	Very high	97.1	Very high	42 Å²	42	37 Å²	37	21%	0.207	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-26.8	175.6	-71.1	-68.6	-60.3	0	0	112.3	L311 K315 E352 R353 I354 D359	L311-M357 HydrophobicContact CD1-CE 3.95Å; L311-M357 HydrophobicContact CD2-CB 4.14Å; K315-M357 WeakPolarHBondContact CE-O 3.48Å; K315-M357 PolarHBondContact NZ-O 3.06Å; E352-M357 HydrophobicContact CB-CG 3.9Å; E352-M357 HydrophobicContact CB-SD 3.88Å; E352-M357 HydrophobicContact CG-SD 4.39Å; R353-M357 PolarHBondContact O-N 3.41Å; I354-M357 WeakPolarHBondContact O-CB 3.34Å; I354-M357 PolarHBondContact O-N 2.84Å; M357-D359 VanDerWaalsContact C-N 3.33Å
358	L	98.1	Very high	97.2	Very high	9 Å²	9	37 Å²	37	5%	0.047	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	23	177.3	-63.7	172.8	0	0	0	112.9	L311 L314 I354 L355 T356 G360 S361 A364 L365 A368	L311-L358 HydrophobicContact CD2-CD2 4.04Å; L314-L358 HydrophobicContact CB-CD2 4.1Å; L314-L358 HydrophobicContact CD1-CD1 4.38Å; L314-L358 HydrophobicContact CD1-CD2 3.88Å; I354-L358 HydrophobicContact CD1-CD1 4.12Å; I354-L358 HydrophobicContact CD1-CG 4.23Å; I354-L358 HydrophobicContact CG1-CD1 3.93Å; I354-L358 HydrophobicContact CG1-CG 4.44Å; I354-L358 VanDerWaalsContact O-CG 3.3Å; I354-L358 WeakPolarHBondContact O-CG 3.46Å; I354-L358 PolarHBondContact O-N 3.44Å; L355-L358 CarbonylContact O-C 3.54Å; L355-L358 PolarHBondContact O-N 3.48Å; T356-L358 PolarHBondContact O-N 2.87Å; L358-G360 PolarHBondContact O-N 3.15Å; L358-G360 VanDerWaalsContact O-N 3.1Å; L358-S361 WeakPolarHBondContact O-CB 3.37Å; L358-S361 PolarHBondContact O-N 3.3Å; L358-A364 HydrophobicContact CB-CB 4.21Å; L358-A364 HydrophobicContact CD1-CB 4.13Å; L358-A364 HydrophobicContact CD2-CB 4.17Å; L358-A364 HydrophobicContact CG-CB 4.4Å; L358-L365 HydrophobicContact CD1-CB 4.11Å; L358-L365 HydrophobicContact CD1-CD1 4.19Å; L358-A368 HydrophobicContact CD1-CB 4.11Å
359	D	97	Very high	97.1	Very high	143 Å²	143	37.3 Å²	37.3	77%	0.765	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	30	176	-53.3	-54.6	0	0	0	113.2	L355 T356 M357 S361	L355-D359 PolarHBondContact O-N 3.3Å; T356-D359 PolarHBondContact O-N 3.21Å; T356-D359 VanDerWaalsContact O-N 3.1Å; M357-D359 VanDerWaalsContact C-N 3.33Å; D359-S361 VanDerWaalsContact C-N 3.28Å; D359-S361 PolarHBondContact O-N 3.47Å
360	G	96.2	Very high	97.1	Very high	42 Å²	42	38.1 Å²	38.1	43%	0.433	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	5.8	-177.6	0	0	0	0	0	115	L355 L358 V362	L355-G360 WeakPolarHBondContact O-CA 3.41Å; L355-G360 PolarHBondContact O-N 3.08Å; L358-G360 PolarHBondContact O-N 3.15Å; L358-G360 VanDerWaalsContact O-N 3.1Å; G360-V362 PolarHBondContact O-N 3.16Å
361	S	96.9	Very high	97.1	Very high	41 Å²	41	37.4 Å²	37.4	29%	0.287	21%	0.212	S	C	.	.			trans	-73.3	111	179	178.9	0	0	0	0	111.4	L358 D359 E363 A364 L365	L358-S361 WeakPolarHBondContact O-CB 3.37Å; L358-S361 PolarHBondContact O-N 3.3Å; D359-S361 VanDerWaalsContact C-N 3.28Å; D359-S361 PolarHBondContact O-N 3.47Å; S361-E363 VanDerWaalsContact C-N 3.3Å; S361-A364 PolarHBondContact O-N 3.36Å; S361-A364 WeakPolarHBondContact OG-CB 3.46Å; S361-A364 PolarHBondContact OG-N 3.1Å; S361-A364 VanDerWaalsContact OG-N 3.1Å; S361-L365 PolarHBondContact O-N 3.49Å
362	V	94.7	Very high	97	Very high	28 Å²	28	37 Å²	37	17%	0.17	21%	0.209	C	C	.	.	H	α-helix	trans	-69.5	-32.9	176.1	-174.3	0	0	0	0	110.7	G360 L365 D366 L410	G360-V362 PolarHBondContact O-N 3.16Å; V362-L365 WeakPolarHBondContact O-CB 3.48Å; V362-L365 PolarHBondContact O-N 2.93Å; V362-D366 PolarHBondContact O-N 2.98Å; V362-L410 HydrophobicContact CG1-CD2 3.45Å; V362-L410 VanDerWaalsContact CG1-CD2 3.45Å; V362-L410 HydrophobicContact CG1-CG 3.96Å
363	E	95.3	Very high	96.9	Very high	103 Å²	103	34.4 Å²	34.4	48%	0.481	20%	0.197	S	C	.	.	H	α-helix	trans	-66.8	-43.4	176.1	-63.1	64.5	-135.1	0	0	111.5	S361 L365 D366 Q367 R409	S361-E363 VanDerWaalsContact C-N 3.3Å; E363-L365 VanDerWaalsContact C-N 3.27Å; E363-L365 PolarHBondContact O-N 3.25Å; E363-D366 PolarHBondContact O-N 3.44Å; E363-Q367 WeakPolarHBondContact O-CG 3.11Å; E363-Q367 PolarHBondContact O-N 3.08Å; E363-Q367 VanDerWaalsContact O-N 3.16Å; E363-R409 IonicContact OE1-CZ 3.66Å; E363-R409 IonicContact OE1-NH1 2.75Å; E363-R409 PolarHBondContact OE1-NH1 2.93Å; E363-R409 IonicContact OE1-NH2 3.5Å; E363-R409 PolarHBondContact OE1-NH2 3.17Å
364	A	97.1	Very high	96.7	Very high	18 Å²	18	41 Å²	41	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-35.2	174.1	0	0	0	0	0	111.1	L358 S361 Q367 A368	L358-A364 HydrophobicContact CB-CB 4.21Å; L358-A364 HydrophobicContact CD1-CB 4.13Å; L358-A364 HydrophobicContact CD2-CB 4.17Å; L358-A364 HydrophobicContact CG-CB 4.4Å; S361-A364 PolarHBondContact O-N 3.36Å; S361-A364 WeakPolarHBondContact OG-CB 3.46Å; S361-A364 PolarHBondContact OG-N 3.1Å; S361-A364 VanDerWaalsContact OG-N 3.1Å; A364-Q367 PolarHBondContact O-N 2.92Å; A364-A368 WeakPolarHBondContact O-CB 3.15Å; A364-A368 PolarHBondContact O-N 3.3Å
365	L	97.3	Very high	96.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-45.6	175.5	-176.7	57.5	0	0	0	111.3	I354 L355 L358 S361 V362 E363 Q367 A368 W369 L410	I354-L365 HydrophobicContact CB-CD1 4.3Å; I354-L365 HydrophobicContact CG1-CD1 3.87Å; I354-L365 HydrophobicContact CG2-CD1 3.5Å; I354-L365 VanDerWaalsContact CG2-CD1 3.5Å; L355-L365 HydrophobicContact CB-CD2 4.19Å; L355-L365 HydrophobicContact CD1-CB 4.35Å; L355-L365 HydrophobicContact CD1-CD2 3.97Å; L355-L365 HydrophobicContact CG-CD2 4.46Å; L358-L365 HydrophobicContact CD1-CB 4.11Å; L358-L365 HydrophobicContact CD1-CD1 4.19Å; S361-L365 PolarHBondContact O-N 3.49Å; V362-L365 WeakPolarHBondContact O-CB 3.48Å; V362-L365 PolarHBondContact O-N 2.93Å; E363-L365 VanDerWaalsContact C-N 3.27Å; E363-L365 PolarHBondContact O-N 3.25Å; L365-Q367 VanDerWaalsContact C-N 3.26Å; L365-Q367 PolarHBondContact O-N 3.32Å; L365-A368 WeakPolarHBondContact O-CB 3.28Å; L365-A368 PolarHBondContact O-N 3.16Å; L365-A368 VanDerWaalsContact O-N 3.08Å; L365-W369 HydrophobicContact CD1-CZ2 4.34Å; L365-W369 VanDerWaalsContact CG-NE1 3.32Å; L365-W369 PolarHBondContact O-N 3.39Å; L365-L410 HydrophobicContact CD2-CD1 4.25Å; L365-L410 HydrophobicContact CD2-CD2 3.95Å
366	D	95.6	Very high	96.3	Very high	42 Å²	42	43.8 Å²	43.8	23%	0.225	25%	0.245	C	C	.	.	H	α-helix	trans	-55.8	-42	174.2	-72.4	-24.4	0	0	0	111.6	V362 E363 W369 G370 R409 N413	V362-D366 PolarHBondContact O-N 2.98Å; E363-D366 PolarHBondContact O-N 3.44Å; D366-W369 PolarHBondContact O-N 2.93Å; D366-G370 PolarHBondContact O-N 3.27Å; D366-R409 IonicContact OD2-CZ 2.8Å; D366-R409 IonicContact OD2-NE 3.96Å; D366-R409 IonicContact OD2-NH2 3.54Å; D366-R409 PolarHBondContact OD2-NH2 2.82Å; D366-N413 PolarHBondContact OD1-ND2 3.46Å; D366-N413 PolarHBondContact OD2-ND2 2.99Å
367	Q	97.1	Very high	96.1	Very high	116 Å²	116	41.7 Å²	41.7	54%	0.542	23%	0.232	S	C	.	.	H	α-helix	trans	-67.1	-39.5	175.9	-66.4	173.9	24.3	0	0	112.3	L314 E363 A364 L365 W369 G370 L371	L314-Q367 HydrophobicContact CD2-CB 3.62Å; E363-Q367 WeakPolarHBondContact O-CG 3.11Å; E363-Q367 PolarHBondContact O-N 3.08Å; E363-Q367 VanDerWaalsContact O-N 3.16Å; A364-Q367 PolarHBondContact O-N 2.92Å; L365-Q367 VanDerWaalsContact C-N 3.26Å; L365-Q367 PolarHBondContact O-N 3.32Å; Q367-W369 VanDerWaalsContact C-N 3.31Å; Q367-W369 PolarHBondContact O-N 2.7Å; Q367-G370 PolarHBondContact O-N 2.97Å; Q367-L371 WeakPolarHBondContact O-CG 3.48Å; Q367-L371 PolarHBondContact O-N 2.77Å
368	A	98.1	Very high	96.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-42.6	176.6	0	0	0	0	0	111.5	I310 L314 I346 L358 A364 L365 L371 M372	I310-A368 HydrophobicContact CG2-CB 4.03Å; L314-A368 HydrophobicContact CD1-CB 3.53Å; I346-A368 HydrophobicContact CD1-CB 3.78Å; L358-A368 HydrophobicContact CD1-CB 4.11Å; A364-A368 WeakPolarHBondContact O-CB 3.15Å; A364-A368 PolarHBondContact O-N 3.3Å; L365-A368 WeakPolarHBondContact O-CB 3.28Å; L365-A368 PolarHBondContact O-N 3.16Å; L365-A368 VanDerWaalsContact O-N 3.08Å; A368-L371 PolarHBondContact O-N 3.17Å; A368-M372 WeakPolarHBondContact O-CB 3.43Å; A368-M372 PolarHBondContact O-N 3.47Å
369	W	96.3	Very high	96.1	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.023	22%	0.22	C	C	.	.	H	α-helix	trans	-65.5	-46.6	173.7	-66.5	114.2	0	0	0	112.1	I346 I354 L365 D366 Q367 L371 M372 F373 V381 D385 Y414	I346-W369 HydrophobicContact CD1-CD2 3.7Å; I346-W369 HydrophobicContact CD1-CE3 3.75Å; I346-W369 HydrophobicContact CD1-CG 4.39Å; I346-W369 HydrophobicContact CD1-CH2 3.89Å; I346-W369 HydrophobicContact CD1-CZ2 3.73Å; I346-W369 HydrophobicContact CD1-CZ3 3.89Å; I346-W369 HydrophobicContact CG1-CE3 4.39Å; I346-W369 HydrophobicContact CG1-CH2 3.88Å; I346-W369 HydrophobicContact CG1-CZ2 4.07Å; I346-W369 HydrophobicContact CG1-CZ3 4.03Å; I354-W369 HydrophobicContact CG2-CZ2 4.34Å; L365-W369 HydrophobicContact CD1-CZ2 4.34Å; L365-W369 VanDerWaalsContact CG-NE1 3.32Å; L365-W369 PolarHBondContact O-N 3.39Å; D366-W369 PolarHBondContact O-N 2.93Å; Q367-W369 VanDerWaalsContact C-N 3.31Å; Q367-W369 PolarHBondContact O-N 2.7Å; W369-L371 VanDerWaalsContact C-N 3.27Å; W369-L371 PolarHBondContact O-N 3.11Å; W369-M372 HydrophobicContact CE3-CE 3.48Å; W369-M372 VanDerWaalsContact CE3-CE 3.48Å; W369-M372 HydrophobicContact CE3-SD 3.97Å; W369-M372 HydrophobicContact CZ3-CE 3.37Å; W369-M372 HydrophobicContact CZ3-SD 3.68Å; W369-M372 PolarHBondContact O-N 3.32Å; W369-M372 VanDerWaalsContact O-N 3.16Å; W369-F373 HydrophobicContact CB-CD2 4.25Å; W369-F373 HydrophobicContact CD2-CE2 4.35Å; W369-F373 AromaticContact CE3-CD2 3.96Å; W369-F373 HydrophobicContact CE3-CD2 3.96Å; W369-F373 AromaticContact CE3-CE2 3.48Å; W369-F373 HydrophobicContact CE3-CE2 3.48Å; W369-F373 VanDerWaalsContact CE3-CE2 3.48Å; W369-F373 HydrophobicContact CZ3-CE2 4.09Å; W369-F373 WeakPolarHBondContact O-CB 3.3Å; W369-F373 VanDerWaalsContact O-CD2 3.32Å; W369-F373 WeakPolarHBondContact O-CD2 3.39Å; W369-F373 PolarHBondContact O-N 2.98Å; W369-V381 HydrophobicContact CH2-CB 4.29Å; W369-V381 HydrophobicContact CH2-CG1 3.94Å; W369-V381 HydrophobicContact CH2-CG2 4.2Å; W369-V381 HydrophobicContact CZ3-CB 4.34Å; W369-V381 HydrophobicContact CZ3-CG1 4.39Å; W369-V381 HydrophobicContact CZ3-CG2 3.8Å; W369-D385 HydrophobicContact CH2-CB 4.4Å; W369-D385 HydrophobicContact CZ2-CB 3.94Å; W369-Y414 AromaticContact CD1-CE1 3.79Å; W369-Y414 AromaticContact CD1-CZ 3.61Å; W369-Y414 HydrophobicContact CD2-CD1 4.13Å; W369-Y414 AromaticContact CD2-CE1 3.42Å; W369-Y414 HydrophobicContact CD2-CE1 3.42Å; W369-Y414 VanDerWaalsContact CD2-CE1 3.42Å; W369-Y414 AromaticContact CD2-CZ 3.97Å; W369-Y414 AromaticContact CE2-CE1 3Å; W369-Y414 AromaticContact CE2-CZ 3.19Å; W369-Y414 HydrophobicContact CE3-CD1 4.49Å; W369-Y414 AromaticContact CE3-CE1 3.96Å; W369-Y414 HydrophobicContact CE3-CE1 3.96Å; W369-Y414 HydrophobicContact CG-CD1 4.47Å; W369-Y414 AromaticContact CG-CE1 3.96Å; W369-Y414 HydrophobicContact CG-CE1 3.96Å; W369-Y414 AromaticContact CH2-CE1 3.71Å; W369-Y414 HydrophobicContact CH2-CE1 3.71Å; W369-Y414 HydrophobicContact CZ2-CD1 4.44Å; W369-Y414 AromaticContact CZ2-CE1 3.2Å; W369-Y414 HydrophobicContact CZ2-CE1 3.2Å; W369-Y414 AromaticContact CZ2-CZ 3.49Å; W369-Y414 VanDerWaalsContact CZ2-CZ 3.49Å; W369-Y414 WeakPolarHBondContact CZ2-OH 3.48Å; W369-Y414 HydrophobicContact CZ3-CE1 4.05Å; W369-Y414 AromaticContact NE1-CE1 3.27Å; W369-Y414 VanDerWaalsContact NE1-CE1 3.27Å; W369-Y414 AromaticContact NE1-CE2 3.85Å; W369-Y414 AromaticContact NE1-CZ 2.95Å; W369-Y414 PolarHBondContact NE1-OH 2.67Å
370	G	95.9	Very high	96.1	Very high	17 Å²	17	32.5 Å²	32.5	18%	0.175	18%	0.184	C	C	.	.	H	α-helix	trans	-51.4	-49.1	175.4	0	0	0	0	0	111.7	D366 Q367 M374	D366-G370 PolarHBondContact O-N 3.27Å; Q367-G370 PolarHBondContact O-N 2.97Å; G370-M374 VanDerWaalsContact O-CB 3.28Å; G370-M374 WeakPolarHBondContact O-CB 3.38Å; G370-M374 WeakPolarHBondContact O-CG 3.38Å; G370-M374 PolarHBondContact O-N 2.76Å; G370-M374 VanDerWaalsContact O-N 3.1Å
371	L	96.6	Very high	96.2	Very high	47 Å²	47	30.5 Å²	30.5	25%	0.246	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-49.8	176.5	-68.7	168.2	0	0	0	112.1	I310 I313 L314 Q367 A368 W369 F373 M374 M375	I310-L371 HydrophobicContact CD1-CB 3.99Å; I310-L371 HydrophobicContact CG1-CB 3.95Å; I310-L371 HydrophobicContact CG1-CD1 4.39Å; I310-L371 HydrophobicContact CG2-CB 4.46Å; I310-L371 HydrophobicContact CG2-CD1 4.11Å; I313-L371 HydrophobicContact CG2-CD1 4.39Å; L314-L371 HydrophobicContact CD2-CD1 4.39Å; Q367-L371 WeakPolarHBondContact O-CG 3.48Å; Q367-L371 PolarHBondContact O-N 2.77Å; A368-L371 PolarHBondContact O-N 3.17Å; W369-L371 VanDerWaalsContact C-N 3.27Å; W369-L371 PolarHBondContact O-N 3.11Å; L371-F373 VanDerWaalsContact C-N 3.33Å; L371-F373 PolarHBondContact O-N 3.46Å; L371-M374 PolarHBondContact O-N 2.69Å; L371-M375 WeakPolarHBondContact O-CB 3.27Å; L371-M375 WeakPolarHBondContact O-CG 3.15Å; L371-M375 PolarHBondContact O-N 3.38Å; L371-M375 VanDerWaalsContact O-N 3.15Å
372	M	96.8	Very high	96.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-38.8	-177.3	-168.1	-161	77.1	0	0	112.9	I310 N344 I346 A368 W369 P379	I310-M372 HydrophobicContact CD1-CB 4.02Å; N344-M372 HydrophobicContact CB-CG 3.94Å; N344-M372 VanDerWaalsContact O-SD 3.4Å; I346-M372 HydrophobicContact CB-SD 4.35Å; I346-M372 HydrophobicContact CD1-SD 4.26Å; I346-M372 HydrophobicContact CG1-SD 3.89Å; I346-M372 HydrophobicContact CG2-CB 4.04Å; I346-M372 HydrophobicContact CG2-CG 3.97Å; I346-M372 HydrophobicContact CG2-SD 3.97Å; A368-M372 WeakPolarHBondContact O-CB 3.43Å; A368-M372 PolarHBondContact O-N 3.47Å; W369-M372 HydrophobicContact CE3-CE 3.48Å; W369-M372 VanDerWaalsContact CE3-CE 3.48Å; W369-M372 HydrophobicContact CE3-SD 3.97Å; W369-M372 HydrophobicContact CZ3-CE 3.37Å; W369-M372 HydrophobicContact CZ3-SD 3.68Å; W369-M372 PolarHBondContact O-N 3.32Å; W369-M372 VanDerWaalsContact O-N 3.16Å; M372-P379 HydrophobicContact CE-CB 3.49Å; M372-P379 VanDerWaalsContact CE-CB 3.49Å
373	F	95.6	Very high	96.5	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-81.1	-23.9	-178.5	-84.6	-88.9	0	0	0	113.9	V81 W369 L371 P379 V381 I417 T418 R421	V81-F373 HydrophobicContact CG1-CE1 4.02Å; V81-F373 HydrophobicContact CG1-CZ 4.3Å; V81-F373 HydrophobicContact CG2-CE1 4.42Å; W369-F373 HydrophobicContact CB-CD2 4.25Å; W369-F373 HydrophobicContact CD2-CE2 4.35Å; W369-F373 AromaticContact CE3-CD2 3.96Å; W369-F373 HydrophobicContact CE3-CD2 3.96Å; W369-F373 AromaticContact CE3-CE2 3.48Å; W369-F373 HydrophobicContact CE3-CE2 3.48Å; W369-F373 VanDerWaalsContact CE3-CE2 3.48Å; W369-F373 HydrophobicContact CZ3-CE2 4.09Å; W369-F373 WeakPolarHBondContact O-CB 3.3Å; W369-F373 VanDerWaalsContact O-CD2 3.32Å; W369-F373 WeakPolarHBondContact O-CD2 3.39Å; W369-F373 PolarHBondContact O-N 2.98Å; L371-F373 VanDerWaalsContact C-N 3.33Å; L371-F373 PolarHBondContact O-N 3.46Å; F373-P379 HydrophobicContact CD1-CB 3.61Å; F373-P379 HydrophobicContact CD1-CG 3.59Å; F373-P379 HydrophobicContact CD2-CB 4.46Å; F373-P379 HydrophobicContact CE1-CB 3.58Å; F373-P379 HydrophobicContact CE1-CG 3.58Å; F373-P379 HydrophobicContact CE2-CB 4.44Å; F373-P379 HydrophobicContact CG-CB 4.07Å; F373-P379 HydrophobicContact CG-CG 4.46Å; F373-P379 HydrophobicContact CZ-CB 4.01Å; F373-P379 HydrophobicContact CZ-CG 4.44Å; F373-V381 HydrophobicContact CE2-CG2 4.42Å; F373-V381 HydrophobicContact CZ-CG2 4.04Å; F373-I417 HydrophobicContact CB-CD1 4.11Å; F373-I417 HydrophobicContact CB-CG1 3.57Å; F373-I417 HydrophobicContact CD1-CG1 4.26Å; F373-I417 HydrophobicContact CD2-CB 4.48Å; F373-I417 HydrophobicContact CD2-CG1 3.77Å; F373-I417 HydrophobicContact CD2-CG2 3.82Å; F373-I417 HydrophobicContact CE2-CG2 3.73Å; F373-I417 HydrophobicContact CG-CG1 3.62Å; F373-I417 HydrophobicContact CG-CG2 4.28Å; F373-I417 HydrophobicContact CZ-CG2 4.14Å; F373-T418 HydrophobicContact CE1-CG2 3.76Å; F373-T418 HydrophobicContact CZ-CG2 3.6Å; F373-R421 HydrophobicContact CD1-CB 3.79Å; F373-R421 HydrophobicContact CD1-CG 4.08Å; F373-R421 HydrophobicContact CE1-CB 4.34Å
374	M	93.5	Very high	96.6	Very high	139 Å²	139	22.3 Å²	22.3	69%	0.685	12%	0.119	S	C	*	.	H	α-helix	trans	-89.3	-19.2	178.4	-69.5	179.5	-175.4	0	0	113.6	G370 L371	G370-M374 VanDerWaalsContact O-CB 3.28Å; G370-M374 WeakPolarHBondContact O-CB 3.38Å; G370-M374 WeakPolarHBondContact O-CG 3.38Å; G370-M374 PolarHBondContact O-N 2.76Å; G370-M374 VanDerWaalsContact O-N 3.1Å; L371-M374 PolarHBondContact O-N 2.69Å
375	M	93.8	Very high	96.6	Very high	50 Å²	50	21.6 Å²	21.6	25%	0.246	11%	0.112	C	C	.	.	S	Bend	trans	-77	149.5	180	-72.1	-69	-177.7	0	0	112.2	L306 M327 N344 L371 G377 F428	L306-M375 HydrophobicContact CD1-CB 4.32Å; L306-M375 HydrophobicContact CD1-CG 4.01Å; L306-M375 HydrophobicContact CD2-CB 3.96Å; L306-M375 HydrophobicContact CD2-CG 4.48Å; M327-M375 HydrophobicContact CE-CE 4.05Å; M327-M375 HydrophobicContact SD-CE 3.95Å; N344-M375 PolarHBondContact ND2-O 2.96Å; L371-M375 WeakPolarHBondContact O-CB 3.27Å; L371-M375 WeakPolarHBondContact O-CG 3.15Å; L371-M375 PolarHBondContact O-N 3.38Å; L371-M375 VanDerWaalsContact O-N 3.15Å; M375-G377 PolarHBondContact O-N 2.67Å; M375-F428 WeakPolarHBondContact O-CZ 3.48Å
376	P	93.4	Very high	96.6	Very high	24 Å²	24	21.6 Å²	21.6	16%	0.156	11%	0.112	C	C	.	.	S	Bend	trans	-51.2	138.1	172.2	-28.2	37.1	0	0	0	112.2	Y339 Y340 N344 F428	Y339-P376 HydrophobicContact CD1-CB 4.12Å; Y339-P376 HydrophobicContact CE1-CB 3.44Å; Y339-P376 VanDerWaalsContact CE1-CB 3.44Å; Y339-P376 HydrophobicContact CE1-CG 3.7Å; Y340-P376 HydrophobicContact CD1-CB 3.94Å; Y340-P376 HydrophobicContact CE1-CB 3.94Å; Y340-P376 HydrophobicContact CE1-CG 4.42Å; N344-P376 PolarHBondContact ND2-O 3.1Å; P376-F428 HydrophobicContact CB-CD1 4.48Å; P376-F428 HydrophobicContact CB-CE1 4.25Å; P376-F428 HydrophobicContact CB-CZ 4.49Å; P376-F428 HydrophobicContact CG-CD1 4.32Å; P376-F428 HydrophobicContact CG-CE1 3.89Å; P376-F428 HydrophobicContact CG-CZ 4.41Å
377	G	95.5	Very high	96.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	10%	0.104	C	C	.	.	S	Bend	trans	119.9	-169.6	-175.7	0	0	0	0	0	113.3	Q342 M375 R421	Q342-G377 CarbonylContact O-C 3.55Å; Q342-G377 WeakPolarHBondContact O-CA 3.28Å; M375-G377 PolarHBondContact O-N 2.67Å; G377-R421 PolarHBondContact O-NH2 3.42Å
378	I	97	Very high	96.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.4	-173.9	-61.6	82.7	0	0	0	108.1	Y77 A80 F82 Y340 N341 Q342 L343 N344	Y77-I378 HydrophobicContact CD1-CD1 3.95Å; Y77-I378 HydrophobicContact CD1-CG1 4.18Å; Y77-I378 HydrophobicContact CE1-CD1 3.32Å; Y77-I378 HydrophobicContact CE1-CG1 3.85Å; Y77-I378 WeakPolarHBondContact O-CG1 3.49Å; A80-I378 HydrophobicContact CB-CG2 3.99Å; F82-I378 HydrophobicContact CD2-CG2 3.39Å; F82-I378 HydrophobicContact CE2-CG2 3.83Å; F82-I378 HydrophobicContact CG-CG2 4.44Å; Y340-I378 VanDerWaalsContact O-CD1 3.25Å; Y340-I378 WeakPolarHBondContact O-CD1 3.14Å; N341-I378 VanDerWaalsContact C-CD1 3.47Å; Q342-I378 WeakPolarHBondContact O-CD1 3.5Å; Q342-I378 PolarHBondContact O-N 3.38Å; L343-I378 CarbonylContact C-O 3.43Å; L343-I378 HydrophobicContact CD1-CB 4.17Å; L343-I378 HydrophobicContact CD1-CG2 4.03Å; N344-I378 PolarHBondContact N-O 2.94Å
379	P	97.6	Very high	96.6	Very high	1 Å²	1	16 Å²	16	1%	0.006	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	136.4	179.5	27.6	-33.7	0	0	0	111.2	V81 F82 N344 M372 F373 R421	V81-P379 HydrophobicContact CG2-CG 4.26Å; F82-P379 PolarHBondContact N-O 2.77Å; N344-P379 CarbonylContact O-C 3.54Å; M372-P379 HydrophobicContact CE-CB 3.49Å; M372-P379 VanDerWaalsContact CE-CB 3.49Å; F373-P379 HydrophobicContact CD1-CB 3.61Å; F373-P379 HydrophobicContact CD1-CG 3.59Å; F373-P379 HydrophobicContact CD2-CB 4.46Å; F373-P379 HydrophobicContact CE1-CB 3.58Å; F373-P379 HydrophobicContact CE1-CG 3.58Å; F373-P379 HydrophobicContact CE2-CB 4.44Å; F373-P379 HydrophobicContact CG-CB 4.07Å; F373-P379 HydrophobicContact CG-CG 4.46Å; F373-P379 HydrophobicContact CZ-CB 4.01Å; F373-P379 HydrophobicContact CZ-CG 4.44Å; P379-R421 HydrophobicContact CG-CG 4.05Å
380	C	98.4	Very high	96.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	112.4	177.6	-176.8	0	0	0	0	110.3	F82 L343 N344 N345	F82-C380 HydrophobicContact CB-CB 3.76Å; F82-C380 WeakPolarHBondContact O-CA 3.43Å; L343-C380 HydrophobicContact CD1-CB 3.81Å; L343-C380 HydrophobicContact CD2-CB 4.13Å; L343-C380 HydrophobicContact CG-CB 3.73Å; N344-C380 PolarHBondContact O-N 3.38Å; N345-C380 HydrophobicContact CB-CB 4.37Å
381	V	98	Very high	96.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.8	177.2	-178.8	0	0	0	0	109.1	F82 Y83 Q84 W369 F373 Y414	F82-V381 PolarHBondContact O-N 3.5Å; Y83-V381 CarbonylContact C-O 3.6Å; Y83-V381 WeakPolarHBondContact CA-O 3.26Å; Y83-V381 HydrophobicContact CD2-CB 3.83Å; Y83-V381 HydrophobicContact CD2-CG1 3.91Å; Y83-V381 HydrophobicContact CE2-CB 4.31Å; Y83-V381 HydrophobicContact CE2-CG1 3.86Å; Q84-V381 PolarHBondContact N-O 2.87Å; W369-V381 HydrophobicContact CH2-CB 4.29Å; W369-V381 HydrophobicContact CH2-CG1 3.94Å; W369-V381 HydrophobicContact CH2-CG2 4.2Å; W369-V381 HydrophobicContact CZ3-CB 4.34Å; W369-V381 HydrophobicContact CZ3-CG1 4.39Å; W369-V381 HydrophobicContact CZ3-CG2 3.8Å; F373-V381 HydrophobicContact CE2-CG2 4.42Å; F373-V381 HydrophobicContact CZ-CG2 4.04Å; V381-Y414 HydrophobicContact CG1-CE1 4.4Å
382	Y	98.5	Very high	96.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	133.4	172.3	-178.3	-137.2	0	0	0	110.6	Q84 G347 T348 H349 R353 G384 D385 N397	Q84-Y382 HydrophobicContact CB-CD2 4.07Å; Q84-Y382 HydrophobicContact CG-CD2 3.82Å; Q84-Y382 HydrophobicContact CG-CE2 4.25Å; G347-Y382 WeakPolarHBondContact O-CB 3.47Å; T348-Y382 VanDerWaalsContact C-CE1 3.43Å; T348-Y382 VanDerWaalsContact O-CE1 3.25Å; T348-Y382 WeakPolarHBondContact O-CE1 3.33Å; H349-Y382 WeakPolarHBondContact CA-OH 3.44Å; H349-Y382 HydrophobicContact CB-CE2 4.05Å; R353-Y382 VanDerWaalsContact CZ-CD1 3.47Å; R353-Y382 VanDerWaalsContact NH2-CE1 3.31Å; Y382-G384 PolarHBondContact O-N 3.35Å; Y382-D385 WeakPolarHBondContact O-CB 2.76Å; Y382-D385 PolarHBondContact O-N 2.61Å; Y382-D385 VanDerWaalsContact O-N 3.09Å; Y382-N397 PolarHBondContact OH-O 2.86Å
383	Y	98.6	Very high	96.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	131.1	-166.3	78.3	-78.1	0	0	0	113.6	Y83 Q84 F86 R89 F90 R353 D385 L389 K399 F401	Y83-Y383 VanDerWaalsContact OH-CA 3.3Å; Y83-Y383 WeakPolarHBondContact OH-CA 3.43Å; Y83-Y383 WeakPolarHBondContact OH-CB 3.08Å; Q84-Y383 WeakPolarHBondContact O-CB 3.44Å; Q84-Y383 PolarHBondContact O-N 2.82Å; F86-Y383 HydrophobicContact CB-CD1 4.05Å; F86-Y383 HydrophobicContact CB-CE1 3.35Å; R89-Y383 HydrophobicContact CB-CE2 3.99Å; R89-Y383 WeakPolarHBondContact CB-OH 3.37Å; F90-Y383 HydrophobicContact CD2-CD2 4.11Å; F90-Y383 HydrophobicContact CD2-CG 4.33Å; R353-Y383 PolarHBondContact NH1-O 2.82Å; R353-Y383 VanDerWaalsContact NH2-CZ 3.34Å; R353-Y383 PolarHBondContact NH2-O 2.92Å; R353-Y383 PolarHBondContact NH2-OH 3.18Å; Y383-D385 PolarHBondContact O-N 3.39Å; Y383-L389 HydrophobicContact CE2-CD1 4.36Å; Y383-K399 WeakPolarHBondContact CE2-O 3.47Å; Y383-K399 PolarHBondContact OH-O 2.56Å; Y383-F401 HydrophobicContact CD2-CB 4.22Å; Y383-F401 HydrophobicContact CD2-CD2 4.04Å; Y383-F401 HydrophobicContact CE2-CB 4.46Å
384	G	97.9	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-4	176.4	0	0	0	0	0	114.8	Y83 Y382 E386 A387 G388 L389 F401	Y83-G384 PolarHBondContact OH-N 2.91Å; Y382-G384 PolarHBondContact O-N 3.35Å; G384-E386 VanDerWaalsContact CA-OE2 3.32Å; G384-E386 WeakPolarHBondContact CA-OE2 3.36Å; G384-E386 PolarHBondContact N-OE2 2.95Å; G384-E386 PolarHBondContact O-N 3.48Å; G384-A387 CarbonylContact O-C 3.58Å; G384-A387 WeakPolarHBondContact O-CA 3.29Å; G384-A387 WeakPolarHBondContact O-CB 3.47Å; G384-A387 PolarHBondContact O-N 3.31Å; G384-G388 PolarHBondContact O-N 3.44Å; G384-G388 VanDerWaalsContact O-N 3.11Å; G384-L389 WeakPolarHBondContact O-CB 3.35Å; G384-L389 WeakPolarHBondContact O-CG 3.32Å; G384-L389 PolarHBondContact O-N 3.07Å; G384-F401 VanDerWaalsContact CA-CE2 3.49Å
385	D	97.7	Very high	96.8	Very high	2 Å²	2	20 Å²	20	1%	0.011	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-34	165.8	-72.6	-3.4	0	0	0	109.7	R353 I354 W369 Y382 Y383 A387 G388 Y414	R353-D385 WeakPolarHBondContact CD-OD1 3.24Å; R353-D385 IonicContact CZ-OD1 2.91Å; R353-D385 IonicContact NE-OD1 3.7Å; R353-D385 IonicContact NH1-OD1 3.86Å; R353-D385 PolarHBondContact NH1-OD1 3.27Å; I354-D385 HydrophobicContact CG2-CB 4.28Å; I354-D385 WeakPolarHBondContact CG2-OD2 3.42Å; W369-D385 HydrophobicContact CH2-CB 4.4Å; W369-D385 HydrophobicContact CZ2-CB 3.94Å; Y382-D385 WeakPolarHBondContact O-CB 2.76Å; Y382-D385 PolarHBondContact O-N 2.61Å; Y382-D385 VanDerWaalsContact O-N 3.09Å; Y383-D385 PolarHBondContact O-N 3.39Å; D385-A387 VanDerWaalsContact C-N 3.29Å; D385-A387 PolarHBondContact O-N 3.04Å; D385-G388 PolarHBondContact O-N 3.27Å; D385-G388 VanDerWaalsContact O-N 3.15Å; D385-Y414 PolarHBondContact O-OH 2.75Å
386	E	96.9	Very high	96.9	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.9	173	82.3	-72.2	-176.4	0	0	115.1	Y83 Y145 L149 G384 G388 F401 L410 F411 Y414	Y83-E386 WeakPolarHBondContact CE2-OE1 3.46Å; Y83-E386 VanDerWaalsContact OH-CD 3.32Å; Y83-E386 PolarHBondContact OH-OE1 3.26Å; Y83-E386 PolarHBondContact OH-OE2 3.4Å; Y145-E386 WeakPolarHBondContact OH-CG 3.33Å; Y145-E386 PolarHBondContact OH-OE1 3.16Å; L149-E386 HydrophobicContact CD1-CG 4.32Å; L149-E386 HydrophobicContact CD2-CG 3.88Å; G384-E386 VanDerWaalsContact CA-OE2 3.32Å; G384-E386 WeakPolarHBondContact CA-OE2 3.36Å; G384-E386 PolarHBondContact N-OE2 2.95Å; G384-E386 PolarHBondContact O-N 3.48Å; E386-G388 VanDerWaalsContact C-N 3.33Å; E386-F401 VanDerWaalsContact OE1-CE2 3.24Å; E386-F401 WeakPolarHBondContact OE1-CE2 3.45Å; E386-L410 WeakPolarHBondContact O-CB 3.38Å; E386-F411 PolarHBondContact O-N 2.98Å; E386-Y414 HydrophobicContact CB-CD1 3.75Å; E386-Y414 HydrophobicContact CB-CD2 3.44Å; E386-Y414 VanDerWaalsContact CB-CD2 3.44Å; E386-Y414 HydrophobicContact CB-CE1 3.79Å; E386-Y414 HydrophobicContact CB-CE2 3.69Å; E386-Y414 HydrophobicContact CB-CG 3.52Å; E386-Y414 PolarHBondContact N-OH 3.08Å
387	A	97	Very high	97.1	Very high	5 Å²	5	19 Å²	19	4%	0.041	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-7	172.2	0	0	0	0	0	112.5	G384 D385 F401 P402 I406 N407	G384-A387 CarbonylContact O-C 3.58Å; G384-A387 WeakPolarHBondContact O-CA 3.29Å; G384-A387 WeakPolarHBondContact O-CB 3.47Å; G384-A387 PolarHBondContact O-N 3.31Å; D385-A387 VanDerWaalsContact C-N 3.29Å; D385-A387 PolarHBondContact O-N 3.04Å; A387-F401 HydrophobicContact CB-CE1 4.39Å; A387-F401 HydrophobicContact CB-CE2 4.24Å; A387-F401 HydrophobicContact CB-CZ 3.88Å; A387-P402 HydrophobicContact CB-CG 3.59Å; A387-I406 HydrophobicContact CB-CB 4.4Å; A387-I406 HydrophobicContact CB-CG1 4.24Å; A387-I406 HydrophobicContact CB-CG2 4.16Å; A387-N407 WeakPolarHBondContact O-CB 3.27Å; A387-N407 PolarHBondContact O-N 3.38Å
388	G	96.5	Very high	97.2	Very high	22 Å²	22	19.5 Å²	19.5	23%	0.227	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	27.8	-178.1	0	0	0	0	0	114.1	G384 D385 E386 T390 L410	G384-G388 PolarHBondContact O-N 3.44Å; G384-G388 VanDerWaalsContact O-N 3.11Å; D385-G388 PolarHBondContact O-N 3.27Å; D385-G388 VanDerWaalsContact O-N 3.15Å; E386-G388 VanDerWaalsContact C-N 3.33Å; G388-T390 PolarHBondContact O-N 2.88Å; G388-L410 VanDerWaalsContact CA-CD1 3.48Å
389	L	97.1	Very high	97.2	Very high	15 Å²	15	20.9 Å²	20.9	8%	0.079	12%	0.118	C	C	.	.			trans	-60.5	137	174.3	-79.2	-177.1	0	0	0	111.7	Y383 G384 K399 P402	Y383-L389 HydrophobicContact CE2-CD1 4.36Å; G384-L389 WeakPolarHBondContact O-CB 3.35Å; G384-L389 WeakPolarHBondContact O-CG 3.32Å; G384-L389 PolarHBondContact O-N 3.07Å; L389-K399 HydrophobicContact CD2-CB 4.27Å; L389-P402 HydrophobicContact CD2-CB 4.33Å; L389-P402 HydrophobicContact CD2-CG 3.78Å; L389-P402 HydrophobicContact CG-CG 4.01Å
390	T	97.3	Very high	97.2	Very high	64 Å²	64	21.1 Å²	21.1	39%	0.393	12%	0.118	S	C	.	.			trans	-116	158.4	171.8	57.8	0	0	0	0	109.7	L355 T356 G388 K399	L355-T390 HydrophobicContact CB-CG2 4.29Å; L355-T390 HydrophobicContact CD2-CG2 3.82Å; L355-T390 HydrophobicContact CG-CG2 4.03Å; T356-T390 WeakPolarHBondContact OG1-CB 3.49Å; G388-T390 PolarHBondContact O-N 2.88Å; T390-K399 WeakPolarHBondContact O-CE 3.3Å
391	G	97.4	Very high	97.2	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.021	12%	0.119	C	C	.	.			trans	165.7	136.9	177.9	0	0	0	0	0	112	R353 T356 D396	R353-G391 WeakPolarHBondContact CB-O 3.44Å; R353-G391 PolarHBondContact N-O 3.1Å; T356-G391 PolarHBondContact OG1-N 3.48Å; G391-D396 WeakPolarHBondContact CA-O 3.39Å; G391-D396 VanDerWaalsContact CA-OD2 3.31Å; G391-D396 WeakPolarHBondContact CA-OD2 3.33Å
392	G	97.3	Very high	97.2	Very high	14 Å²	14	22.3 Å²	22.3	14%	0.144	13%	0.126	C	C	.	.			trans	-71.3	-144.3	170	0	0	0	0	0	111.8	D396 N397	G392-D396 PolarHBondContact N-OD2 3.43Å; G392-N397 VanDerWaalsContact O-CB 3.26Å; G392-N397 WeakPolarHBondContact O-CB 3.43Å; G392-N397 PolarHBondContact O-N 3.42Å
393	K	95.9	Very high	97.1	Very high	117 Å²	117	24.7 Å²	24.7	51%	0.509	14%	0.135	S	C	.	.	S	Bend	trans	-72.7	165	-179.1	-65.9	-173.7	176.4	-177.3	0	112.1	E352 D396	E352-K393 HydrophobicContact CG-CG 3.67Å; E352-K393 WeakPolarHBondContact OE1-CE 3.47Å; K393-D396 WeakPolarHBondContact O-CB 3.3Å; K393-D396 PolarHBondContact O-N 2.67Å
394	D	95	Very high	96.9	Very high	73 Å²	73	31 Å²	31	39%	0.39	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42	122.1	171.6	177.5	29.8	0	0	0	111	Y118 N397 R398	Y118-D394 WeakPolarHBondContact CE2-OD1 3.19Å; Y118-D394 VanDerWaalsContact CZ-OD1 3.27Å; Y118-D394 PolarHBondContact OH-OD1 3.1Å; D394-N397 VanDerWaalsContact CA-OD1 3.32Å; D394-N397 WeakPolarHBondContact CA-OD1 3.2Å; D394-N397 PolarHBondContact N-OD1 3.26Å; D394-R398 VanDerWaalsContact CG-CZ 3.49Å; D394-R398 WeakPolarHBondContact OD1-CD 3.35Å; D394-R398 IonicContact OD1-CZ 3.8Å; D394-R398 IonicContact OD1-NE 3.21Å; D394-R398 IonicContact OD1-NH1 2.92Å; D394-R398 PolarHBondContact OD1-NH1 3.48Å; D394-R398 IonicContact OD2-CZ 3.38Å; D394-R398 IonicContact OD2-NH1 3.73Å; D394-R398 PolarHBondContact OD2-NH1 3.17Å; D394-R398 IonicContact OD2-NH2 2.68Å
395	P	95.5	Very high	96.8	Very high	29 Å²	29	34.9 Å²	34.9	19%	0.188	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.9	-3.5	12.9	39.2	-39.3	0	0	0	117.2	P116 Y118 N397 R398	P116-P395 HydrophobicContact CB-CB 3.81Å; P116-P395 HydrophobicContact CB-CG 4.41Å; P116-P395 WeakPolarHBondContact CB-O 3.24Å; Y118-P395 HydrophobicContact CD1-CB 4.25Å; Y118-P395 HydrophobicContact CD2-CB 4.15Å; Y118-P395 HydrophobicContact CD2-CG 4.3Å; Y118-P395 HydrophobicContact CE1-CB 3.74Å; Y118-P395 HydrophobicContact CE2-CB 3.68Å; Y118-P395 HydrophobicContact CE2-CG 4.29Å; Y118-P395 HydrophobicContact CG-CB 4.43Å; Y118-P395 HydrophobicContact CG-CG 4.49Å; Y118-P395 VanDerWaalsContact CZ-CB 3.45Å; P395-N397 VanDerWaalsContact C-N 3.28Å; P395-N397 PolarHBondContact O-N 2.93Å; P395-R398 WeakPolarHBondContact O-CB 3.45Å; P395-R398 PolarHBondContact O-N 2.9Å
396	D	96.4	Very high	96.7	Very high	51 Å²	51	37.1 Å²	37.1	27%	0.273	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-66.9	-26.4	-169	-167.7	31.7	0	0	0	113	G391 G392 K393 R398 K399	G391-D396 WeakPolarHBondContact CA-O 3.39Å; G391-D396 VanDerWaalsContact CA-OD2 3.31Å; G391-D396 WeakPolarHBondContact CA-OD2 3.33Å; G392-D396 PolarHBondContact N-OD2 3.43Å; K393-D396 WeakPolarHBondContact O-CB 3.3Å; K393-D396 PolarHBondContact O-N 2.67Å; D396-R398 VanDerWaalsContact C-N 3.25Å; D396-R398 PolarHBondContact O-N 3.11Å; D396-K399 VanDerWaalsContact O-CE 3.23Å; D396-K399 WeakPolarHBondContact O-CE 3.4Å; D396-K399 WeakPolarHBondContact O-CG 3.48Å; D396-K399 WeakPolarHBondContact OD1-CE 3.46Å; D396-K399 IonicContact OD1-NZ 2.76Å; D396-K399 PolarHBondContact OD1-NZ 3.25Å
397	N	97.6	Very high	96.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-76.4	-3.2	170.7	66.3	-22.6	0	0	0	114.4	H349 T351 R353 Y382 G392 D394 P395	H349-N397 VanDerWaalsContact C-ND2 3.3Å; H349-N397 PolarHBondContact O-ND2 2.83Å; T351-N397 PolarHBondContact O-ND2 3.46Å; R353-N397 HydrophobicContact CG-CB 4.01Å; R353-N397 PolarHBondContact NE-O 2.93Å; R353-N397 PolarHBondContact NH2-O 3.42Å; Y382-N397 PolarHBondContact OH-O 2.86Å; G392-N397 VanDerWaalsContact O-CB 3.26Å; G392-N397 WeakPolarHBondContact O-CB 3.43Å; G392-N397 PolarHBondContact O-N 3.42Å; D394-N397 VanDerWaalsContact CA-OD1 3.32Å; D394-N397 WeakPolarHBondContact CA-OD1 3.2Å; D394-N397 PolarHBondContact N-OD1 3.26Å; P395-N397 VanDerWaalsContact C-N 3.28Å; P395-N397 PolarHBondContact O-N 2.93Å
398	R	97.2	Very high	96.6	Very high	12 Å²	12	44.5 Å²	44.5	5%	0.045	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-112	37.7	-174.6	-65.4	164.6	-176.4	-168.7	2.3	112.1	F86 R89 P116 H349 D350 D394 P395 D396	F86-R398 HydrophobicContact CD2-CG 4.04Å; F86-R398 HydrophobicContact CE2-CB 4.41Å; F86-R398 HydrophobicContact CE2-CG 3.86Å; R89-R398 VanDerWaalsContact CD-O 3.3Å; R89-R398 WeakPolarHBondContact CD-O 3.35Å; R89-R398 WeakPolarHBondContact CG-O 3.42Å; R89-R398 PolarHBondContact NE-O 2.89Å; P116-R398 VanDerWaalsContact CG-C 3.5Å; P116-R398 WeakPolarHBondContact CG-O 3.3Å; H349-R398 PolarHBondContact O-NE 3.05Å; H349-R398 PolarHBondContact O-NH2 3.44Å; H349-R398 VanDerWaalsContact O-NH2 3.13Å; D350-R398 IonicContact OD1-NH2 3.46Å; D394-R398 VanDerWaalsContact CG-CZ 3.49Å; D394-R398 WeakPolarHBondContact OD1-CD 3.35Å; D394-R398 IonicContact OD1-CZ 3.8Å; D394-R398 IonicContact OD1-NE 3.21Å; D394-R398 IonicContact OD1-NH1 2.92Å; D394-R398 PolarHBondContact OD1-NH1 3.48Å; D394-R398 IonicContact OD2-CZ 3.38Å; D394-R398 IonicContact OD2-NH1 3.73Å; D394-R398 PolarHBondContact OD2-NH1 3.17Å; D394-R398 IonicContact OD2-NH2 2.68Å; P395-R398 WeakPolarHBondContact O-CB 3.45Å; P395-R398 PolarHBondContact O-N 2.9Å; D396-R398 VanDerWaalsContact C-N 3.25Å; D396-R398 PolarHBondContact O-N 3.11Å
399	K	97.6	Very high	96.5	Very high	30 Å²	30	48 Å²	48	13%	0.13	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-62.9	154.6	174.9	-56.6	-167.4	-178.1	-174.3	0	111.3	E115 P116 Y383 L389 T390 D396	E115-K399 IonicContact OE1-NZ 3.55Å; E115-K399 PolarHBondContact OE1-NZ 3.03Å; P116-K399 HydrophobicContact CG-CB 4.38Å; P116-K399 HydrophobicContact CG-CG 4.1Å; Y383-K399 WeakPolarHBondContact CE2-O 3.47Å; Y383-K399 PolarHBondContact OH-O 2.56Å; L389-K399 HydrophobicContact CD2-CB 4.27Å; T390-K399 WeakPolarHBondContact O-CE 3.3Å; D396-K399 VanDerWaalsContact O-CE 3.23Å; D396-K399 WeakPolarHBondContact O-CE 3.4Å; D396-K399 WeakPolarHBondContact O-CG 3.48Å; D396-K399 WeakPolarHBondContact OD1-CE 3.46Å; D396-K399 IonicContact OD1-NZ 2.76Å; D396-K399 PolarHBondContact OD1-NZ 3.25Å
400	F	97.6	Very high	96.4	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.022	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-63.6	147.3	169.8	-161.6	-98.3	0	0	0	110.6	R89 E112 F132 W403	R89-F400 CarbonylContact O-C 3.52Å; R89-F400 VanDerWaalsContact O-CA 3.27Å; R89-F400 WeakPolarHBondContact O-CA 3.3Å; R89-F400 VanDerWaalsContact O-CD2 3.29Å; R89-F400 WeakPolarHBondContact O-CD2 3.43Å; E112-F400 HydrophobicContact CB-CB 4.4Å; E112-F400 HydrophobicContact CB-CD1 3.56Å; E112-F400 HydrophobicContact CB-CE1 4.02Å; E112-F400 HydrophobicContact CB-CG 4.09Å; E112-F400 HydrophobicContact CG-CD1 3.53Å; E112-F400 HydrophobicContact CG-CE1 3.51Å; E112-F400 HydrophobicContact CG-CE2 4.49Å; E112-F400 HydrophobicContact CG-CG 4.04Å; E112-F400 HydrophobicContact CG-CZ 4Å; E112-F400 WeakPolarHBondContact O-CB 3.42Å; E112-F400 WeakPolarHBondContact OE1-CE1 3.09Å; E112-F400 WeakPolarHBondContact OE2-CE1 3.41Å; F132-F400 HydrophobicContact CB-CD2 3.29Å; F132-F400 HydrophobicContact CB-CE2 3.74Å; F132-F400 HydrophobicContact CB-CG 4.24Å; F132-F400 HydrophobicContact CD1-CB 3.65Å; F132-F400 AromaticContact CD1-CD2 3.87Å; F132-F400 HydrophobicContact CD1-CD2 3.87Å; F132-F400 AromaticContact CD1-CG 3.96Å; F132-F400 HydrophobicContact CD1-CG 3.96Å; F132-F400 HydrophobicContact CE1-CB 3.87Å; F132-F400 HydrophobicContact CG-CB 4Å; F132-F400 AromaticContact CG-CD2 3.68Å; F132-F400 HydrophobicContact CG-CD2 3.68Å; F132-F400 HydrophobicContact CG-CG 4.19Å; F132-F400 HydrophobicContact CZ-CB 4.41Å; F400-W403 AromaticContact CE1-CD1 3.93Å
401	F	98.4	Very high	96.3	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-62.5	129.8	178.3	-172.9	-78.8	0	0	0	110.3	Y83 R89 F90 Y145 Y383 G384 E386 A387 W403 I406	Y83-F401 WeakPolarHBondContact OH-CE2 3.49Å; R89-F401 PolarHBondContact O-N 2.88Å; F90-F401 HydrophobicContact CD2-CB 4.31Å; F90-F401 HydrophobicContact CD2-CD2 4.07Å; F90-F401 HydrophobicContact CD2-CG 4.37Å; F90-F401 AromaticContact CE2-CD2 3.94Å; F90-F401 HydrophobicContact CE2-CD2 3.94Å; F90-F401 HydrophobicContact CE2-CE2 4.31Å; F90-F401 HydrophobicContact CE2-CG 4.43Å; F90-F401 WeakPolarHBondContact O-CB 3.49Å; Y145-F401 HydrophobicContact CE1-CZ 4.12Å; Y145-F401 AromaticContact CZ-CZ 3.91Å; Y383-F401 HydrophobicContact CD2-CB 4.22Å; Y383-F401 HydrophobicContact CD2-CD2 4.04Å; Y383-F401 HydrophobicContact CE2-CB 4.46Å; G384-F401 VanDerWaalsContact CA-CE2 3.49Å; E386-F401 VanDerWaalsContact OE1-CE2 3.24Å; E386-F401 WeakPolarHBondContact OE1-CE2 3.45Å; A387-F401 HydrophobicContact CB-CE1 4.39Å; A387-F401 HydrophobicContact CB-CE2 4.24Å; A387-F401 HydrophobicContact CB-CZ 3.88Å; F401-W403 VanDerWaalsContact C-N 3.27Å; F401-W403 HydrophobicContact CD1-CB 4.37Å; F401-W403 AromaticContact CD1-CD1 3.73Å; F401-W403 AromaticContact CD1-CD2 3.35Å; F401-W403 HydrophobicContact CD1-CD2 3.35Å; F401-W403 AromaticContact CD1-CE2 3.31Å; F401-W403 AromaticContact CD1-CE3 3.83Å; F401-W403 HydrophobicContact CD1-CE3 3.83Å; F401-W403 AromaticContact CD1-CG 3.63Å; F401-W403 HydrophobicContact CD1-CG 3.63Å; F401-W403 HydrophobicContact CD1-CH2 4.15Å; F401-W403 AromaticContact CD1-CZ2 3.74Å; F401-W403 HydrophobicContact CD1-CZ2 3.74Å; F401-W403 HydrophobicContact CD1-CZ3 4.19Å; F401-W403 AromaticContact CD1-NE1 3.58Å; F401-W403 AromaticContact CE1-CD2 3.64Å; F401-W403 HydrophobicContact CE1-CD2 3.64Å; F401-W403 AromaticContact CE1-CE2 3.9Å; F401-W403 AromaticContact CE1-CE3 3.58Å; F401-W403 HydrophobicContact CE1-CE3 3.58Å; F401-W403 HydrophobicContact CE1-CG 4.19Å; F401-W403 HydrophobicContact CE1-CH2 4Å; F401-W403 HydrophobicContact CE1-CZ2 4.08Å; F401-W403 AromaticContact CE1-CZ3 3.76Å; F401-W403 HydrophobicContact CE1-CZ3 3.76Å; F401-W403 HydrophobicContact CG-CD2 4.35Å; F401-W403 AromaticContact CG-CE2 3.88Å; F401-W403 HydrophobicContact CG-CZ2 4.04Å; F401-W403 AromaticContact CG-NE1 3.95Å; F401-W403 HydrophobicContact CZ-CH2 4.37Å; F401-W403 HydrophobicContact CZ-CZ3 4.32Å; F401-W403 PolarHBondContact O-N 2.9Å; F401-I406 HydrophobicContact CE1-CD1 3.86Å; F401-I406 HydrophobicContact CE1-CG1 3.91Å; F401-I406 HydrophobicContact CZ-CD1 4.24Å; F401-I406 HydrophobicContact CZ-CG1 4.33Å
402	P	97.2	Very high	96.2	Very high	26 Å²	26	52.5 Å²	52.5	17%	0.169	27%	0.265	C	S	.	.			trans	-84.6	63.7	-170.4	36.6	-37.5	0	0	0	111.6	A387 L389 K404 S405 I406	A387-P402 HydrophobicContact CB-CG 3.59Å; L389-P402 HydrophobicContact CD2-CB 4.33Å; L389-P402 HydrophobicContact CD2-CG 3.78Å; L389-P402 HydrophobicContact CG-CG 4.01Å; P402-K404 PolarHBondContact O-N 3.17Å; P402-S405 WeakPolarHBondContact CB-OG 3.5Å; P402-S405 CarbonylContact O-C 3.43Å; P402-S405 PolarHBondContact O-N 3.04Å; P402-I406 PolarHBondContact O-N 3.36Å
403	W	96.9	Very high	96	Very high	49 Å²	49	54.2 Å²	54.2	19%	0.186	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.8	-173.9	-70.7	103.8	0	0	0	114.8	F90 A91 K142 Y145 F400 F401 I406	F90-W403 HydrophobicContact CD1-CZ2 4.39Å; F90-W403 HydrophobicContact CD2-CZ2 4.29Å; F90-W403 HydrophobicContact CE1-CH2 4.36Å; F90-W403 AromaticContact CE1-CZ2 4Å; F90-W403 HydrophobicContact CE1-CZ2 4Å; F90-W403 HydrophobicContact CE2-CH2 4.17Å; F90-W403 AromaticContact CE2-CZ2 3.85Å; F90-W403 HydrophobicContact CE2-CZ2 3.85Å; F90-W403 AromaticContact CZ-CH2 3.82Å; F90-W403 HydrophobicContact CZ-CH2 3.82Å; F90-W403 AromaticContact CZ-CZ2 3.71Å; F90-W403 HydrophobicContact CZ-CZ2 3.71Å; F90-W403 PolarHBondContact O-NE1 3.1Å; A91-W403 HydrophobicContact CB-CZ2 4.16Å; K142-W403 HydrophobicContact CB-CH2 3.92Å; K142-W403 HydrophobicContact CB-CZ2 4.26Å; K142-W403 HydrophobicContact CD-CD2 4.41Å; K142-W403 HydrophobicContact CD-CE3 4.13Å; K142-W403 HydrophobicContact CD-CH2 3.42Å; K142-W403 VanDerWaalsContact CD-CH2 3.42Å; K142-W403 HydrophobicContact CD-CZ2 3.71Å; K142-W403 HydrophobicContact CD-CZ3 3.64Å; K142-W403 HydrophobicContact CG-CH2 3.53Å; K142-W403 HydrophobicContact CG-CZ2 3.54Å; K142-W403 HydrophobicContact CG-CZ3 4.28Å; Y145-W403 AromaticContact CD1-CH2 3.8Å; Y145-W403 HydrophobicContact CD1-CH2 3.8Å; Y145-W403 AromaticContact CD1-CZ3 3.94Å; Y145-W403 HydrophobicContact CD1-CZ3 3.94Å; Y145-W403 HydrophobicContact CD2-CZ3 4.04Å; Y145-W403 HydrophobicContact CE1-CH2 4.15Å; Y145-W403 HydrophobicContact CE1-CZ3 4.23Å; Y145-W403 HydrophobicContact CE2-CZ3 4.31Å; Y145-W403 HydrophobicContact CG-CH2 4.11Å; Y145-W403 AromaticContact CG-CZ3 3.84Å; Y145-W403 HydrophobicContact CG-CZ3 3.84Å; F400-W403 AromaticContact CE1-CD1 3.93Å; F401-W403 VanDerWaalsContact C-N 3.27Å; F401-W403 HydrophobicContact CD1-CB 4.37Å; F401-W403 AromaticContact CD1-CD1 3.73Å; F401-W403 AromaticContact CD1-CD2 3.35Å; F401-W403 HydrophobicContact CD1-CD2 3.35Å; F401-W403 AromaticContact CD1-CE2 3.31Å; F401-W403 AromaticContact CD1-CE3 3.83Å; F401-W403 HydrophobicContact CD1-CE3 3.83Å; F401-W403 AromaticContact CD1-CG 3.63Å; F401-W403 HydrophobicContact CD1-CG 3.63Å; F401-W403 HydrophobicContact CD1-CH2 4.15Å; F401-W403 AromaticContact CD1-CZ2 3.74Å; F401-W403 HydrophobicContact CD1-CZ2 3.74Å; F401-W403 HydrophobicContact CD1-CZ3 4.19Å; F401-W403 AromaticContact CD1-NE1 3.58Å; F401-W403 AromaticContact CE1-CD2 3.64Å; F401-W403 HydrophobicContact CE1-CD2 3.64Å; F401-W403 AromaticContact CE1-CE2 3.9Å; F401-W403 AromaticContact CE1-CE3 3.58Å; F401-W403 HydrophobicContact CE1-CE3 3.58Å; F401-W403 HydrophobicContact CE1-CG 4.19Å; F401-W403 HydrophobicContact CE1-CH2 4Å; F401-W403 HydrophobicContact CE1-CZ2 4.08Å; F401-W403 AromaticContact CE1-CZ3 3.76Å; F401-W403 HydrophobicContact CE1-CZ3 3.76Å; F401-W403 HydrophobicContact CG-CD2 4.35Å; F401-W403 AromaticContact CG-CE2 3.88Å; F401-W403 HydrophobicContact CG-CZ2 4.04Å; F401-W403 AromaticContact CG-NE1 3.95Å; F401-W403 HydrophobicContact CZ-CH2 4.37Å; F401-W403 HydrophobicContact CZ-CZ3 4.32Å; F401-W403 PolarHBondContact O-N 2.9Å; W403-I406 HydrophobicContact CE3-CD1 4.35Å
404	K	94.7	Very high	95.9	Very high	133 Å²	133	48.8 Å²	48.8	58%	0.578	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-10.3	179.3	-59.9	178.5	-163.3	154.9	0	113.7	E113 P402	E113-K404 IonicContact OE1-NZ 3.93Å; E113-K404 PolarHBondContact OE1-NZ 3.11Å; P402-K404 PolarHBondContact O-N 3.17Å
405	S	94.9	Very high	95.8	Very high	81 Å²	81	48 Å²	48	57%	0.566	24%	0.243	S	C	*	.			trans	-143.2	42.4	-171	61.3	0	0	0	0	112.1	P402 N407	P402-S405 WeakPolarHBondContact CB-OG 3.5Å; P402-S405 CarbonylContact O-C 3.43Å; P402-S405 PolarHBondContact O-N 3.04Å; S405-N407 PolarHBondContact O-N 3.34Å
406	I	97	Very high	95.8	Very high	50 Å²	50	50.4 Å²	50.4	26%	0.256	25%	0.254	S	S	.	.			trans	-64	126.2	172	-59.1	174.9	0	0	0	108.6	Y145 A387 F401 P402 W403 P408 F411	Y145-I406 HydrophobicContact CE2-CD1 4.01Å; A387-I406 HydrophobicContact CB-CB 4.4Å; A387-I406 HydrophobicContact CB-CG1 4.24Å; A387-I406 HydrophobicContact CB-CG2 4.16Å; F401-I406 HydrophobicContact CE1-CD1 3.86Å; F401-I406 HydrophobicContact CE1-CG1 3.91Å; F401-I406 HydrophobicContact CZ-CD1 4.24Å; F401-I406 HydrophobicContact CZ-CG1 4.33Å; P402-I406 PolarHBondContact O-N 3.36Å; W403-I406 HydrophobicContact CE3-CD1 4.35Å; I406-P408 VanDerWaalsContact O-CD 3.25Å; I406-P408 WeakPolarHBondContact O-CD 3.31Å; I406-F411 HydrophobicContact CG2-CB 4Å; I406-F411 HydrophobicContact CG2-CD2 4.28Å; I406-F411 HydrophobicContact CG2-CG 4.35Å
407	N	95.9	Very high	95.7	Very high	55 Å²	55	49.1 Å²	49.1	29%	0.294	25%	0.247	S	C	.	.			trans	-68.2	113.9	174.1	-177.1	-36	0	0	0	110.5	A387 S405 R409 L410 F411	A387-N407 WeakPolarHBondContact O-CB 3.27Å; A387-N407 PolarHBondContact O-N 3.38Å; S405-N407 PolarHBondContact O-N 3.34Å; N407-R409 PolarHBondContact O-N 2.95Å; N407-R409 PolarHBondContact OD1-N 2.94Å; N407-L410 HydrophobicContact CB-CB 4.07Å; N407-L410 HydrophobicContact CB-CD1 4.09Å; N407-L410 HydrophobicContact CB-CG 4.29Å; N407-L410 PolarHBondContact O-N 3.45Å; N407-L410 PolarHBondContact OD1-N 2.83Å; N407-F411 WeakPolarHBondContact O-CB 3.34Å; N407-F411 PolarHBondContact O-N 2.6Å
408	P	94.9	Very high	95.6	Very high	104 Å²	104	49.1 Å²	49.1	68%	0.675	25%	0.247	S	C	*	.	H	α-helix	trans	-70.7	-29.4	-172.6	27.9	-35.2	0	0	0	113.3	I406 K412	I406-P408 VanDerWaalsContact O-CD 3.25Å; I406-P408 WeakPolarHBondContact O-CD 3.31Å; P408-K412 WeakPolarHBondContact O-CB 3.21Å; P408-K412 PolarHBondContact O-N 2.88Å; P408-K412 VanDerWaalsContact O-N 3.12Å
409	R	94.9	Very high	95.5	Very high	97 Å²	97	50.6 Å²	50.6	37%	0.366	26%	0.259	S	S	.	.	H	α-helix	trans	-66.3	-50.8	175.9	173.8	-166.7	158.5	-165.6	-0.6	109.5	E363 D366 N407 K412 N413	E363-R409 IonicContact OE1-CZ 3.66Å; E363-R409 IonicContact OE1-NH1 2.75Å; E363-R409 PolarHBondContact OE1-NH1 2.93Å; E363-R409 IonicContact OE1-NH2 3.5Å; E363-R409 PolarHBondContact OE1-NH2 3.17Å; D366-R409 IonicContact OD2-CZ 2.8Å; D366-R409 IonicContact OD2-NE 3.96Å; D366-R409 IonicContact OD2-NH2 3.54Å; D366-R409 PolarHBondContact OD2-NH2 2.82Å; N407-R409 PolarHBondContact O-N 2.95Å; N407-R409 PolarHBondContact OD1-N 2.94Å; R409-K412 PolarHBondContact O-N 2.81Å; R409-N413 PolarHBondContact O-N 2.81Å; R409-N413 VanDerWaalsContact O-N 3.09Å
410	L	95.4	Very high	95.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-60.6	179.1	-79.1	179.8	0	0	0	108.6	V362 L365 E386 G388 N407 K412 N413 Y414	V362-L410 HydrophobicContact CG1-CD2 3.45Å; V362-L410 VanDerWaalsContact CG1-CD2 3.45Å; V362-L410 HydrophobicContact CG1-CG 3.96Å; L365-L410 HydrophobicContact CD2-CD1 4.25Å; L365-L410 HydrophobicContact CD2-CD2 3.95Å; E386-L410 WeakPolarHBondContact O-CB 3.38Å; G388-L410 VanDerWaalsContact CA-CD1 3.48Å; N407-L410 HydrophobicContact CB-CB 4.07Å; N407-L410 HydrophobicContact CB-CD1 4.09Å; N407-L410 HydrophobicContact CB-CG 4.29Å; N407-L410 PolarHBondContact O-N 3.45Å; N407-L410 PolarHBondContact OD1-N 2.83Å; L410-K412 PolarHBondContact O-N 2.76Å; L410-N413 WeakPolarHBondContact O-CA 3.28Å; L410-N413 WeakPolarHBondContact O-CB 3.39Å; L410-N413 PolarHBondContact O-N 3.28Å; L410-Y414 HydrophobicContact CB-CD2 4.31Å; L410-Y414 HydrophobicContact CB-CE2 4.03Å; L410-Y414 HydrophobicContact CD2-CE2 4.08Å; L410-Y414 WeakPolarHBondContact O-CD2 3.38Å; L410-Y414 PolarHBondContact O-N 2.9Å
411	F	95.5	Very high	95.2	Very high	31 Å²	31	55.9 Å²	55.9	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-44.7	-47.8	180	-177.5	-96.5	0	0	0	113.3	Y145 E148 L149 E386 I406 N407 N413 Y414 D415	Y145-F411 HydrophobicContact CD2-CE2 4.12Å; Y145-F411 AromaticContact CE2-CD2 3.95Å; Y145-F411 HydrophobicContact CE2-CD2 3.95Å; Y145-F411 AromaticContact CE2-CE2 3.26Å; Y145-F411 HydrophobicContact CE2-CE2 3.26Å; Y145-F411 HydrophobicContact CE2-CZ 4.01Å; Y145-F411 AromaticContact CZ-CE2 3.63Å; Y145-F411 WeakPolarHBondContact OH-CE2 3.34Å; E148-F411 HydrophobicContact CG-CE1 4.49Å; E148-F411 HydrophobicContact CG-CZ 4.09Å; L149-F411 HydrophobicContact CD1-CD2 4.18Å; L149-F411 HydrophobicContact CD1-CE2 3.89Å; E386-F411 PolarHBondContact O-N 2.98Å; I406-F411 HydrophobicContact CG2-CB 4Å; I406-F411 HydrophobicContact CG2-CD2 4.28Å; I406-F411 HydrophobicContact CG2-CG 4.35Å; N407-F411 WeakPolarHBondContact O-CB 3.34Å; N407-F411 PolarHBondContact O-N 2.6Å; F411-N413 PolarHBondContact O-N 2.78Å; F411-Y414 PolarHBondContact O-N 3.36Å; F411-D415 PolarHBondContact O-N 2.97Å
412	K	94.9	Very high	94.9	Very high	144 Å²	144	58.1 Å²	58.1	63%	0.626	29%	0.291	S	S	*	.	H	α-helix	trans	-62.3	-40.5	177	-176.5	178.9	178.1	-178.9	0	113.6	P408 R409 L410 Y414 L416	P408-K412 WeakPolarHBondContact O-CB 3.21Å; P408-K412 PolarHBondContact O-N 2.88Å; P408-K412 VanDerWaalsContact O-N 3.12Å; R409-K412 PolarHBondContact O-N 2.81Å; L410-K412 PolarHBondContact O-N 2.76Å; K412-Y414 VanDerWaalsContact C-N 3.32Å; K412-L416 WeakPolarHBondContact O-CB 3.25Å; K412-L416 PolarHBondContact O-N 2.68Å
413	N	93	Very high	94.7	Very high	50 Å²	50	64 Å²	64	27%	0.267	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-35.8	176.7	-73.2	-6.7	0	0	0	111.6	D366 R409 L410 F411 L416 I417	D366-N413 PolarHBondContact OD1-ND2 3.46Å; D366-N413 PolarHBondContact OD2-ND2 2.99Å; R409-N413 PolarHBondContact O-N 2.81Å; R409-N413 VanDerWaalsContact O-N 3.09Å; L410-N413 WeakPolarHBondContact O-CA 3.28Å; L410-N413 WeakPolarHBondContact O-CB 3.39Å; L410-N413 PolarHBondContact O-N 3.28Å; F411-N413 PolarHBondContact O-N 2.78Å; N413-L416 PolarHBondContact O-N 3.41Å; N413-I417 PolarHBondContact O-N 3.24Å
414	Y	93.3	Very high	94.5	Very high	2 Å²	2	63 Å²	63	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-47.3	174.2	-76	-93.5	0	0	0	112.5	W369 V381 D385 E386 L410 F411 K412 L416 I417 T418	W369-Y414 AromaticContact CD1-CE1 3.79Å; W369-Y414 AromaticContact CD1-CZ 3.61Å; W369-Y414 HydrophobicContact CD2-CD1 4.13Å; W369-Y414 AromaticContact CD2-CE1 3.42Å; W369-Y414 HydrophobicContact CD2-CE1 3.42Å; W369-Y414 VanDerWaalsContact CD2-CE1 3.42Å; W369-Y414 AromaticContact CD2-CZ 3.97Å; W369-Y414 AromaticContact CE2-CE1 3Å; W369-Y414 AromaticContact CE2-CZ 3.19Å; W369-Y414 HydrophobicContact CE3-CD1 4.49Å; W369-Y414 AromaticContact CE3-CE1 3.96Å; W369-Y414 HydrophobicContact CE3-CE1 3.96Å; W369-Y414 HydrophobicContact CG-CD1 4.47Å; W369-Y414 AromaticContact CG-CE1 3.96Å; W369-Y414 HydrophobicContact CG-CE1 3.96Å; W369-Y414 AromaticContact CH2-CE1 3.71Å; W369-Y414 HydrophobicContact CH2-CE1 3.71Å; W369-Y414 HydrophobicContact CZ2-CD1 4.44Å; W369-Y414 AromaticContact CZ2-CE1 3.2Å; W369-Y414 HydrophobicContact CZ2-CE1 3.2Å; W369-Y414 AromaticContact CZ2-CZ 3.49Å; W369-Y414 VanDerWaalsContact CZ2-CZ 3.49Å; W369-Y414 WeakPolarHBondContact CZ2-OH 3.48Å; W369-Y414 HydrophobicContact CZ3-CE1 4.05Å; W369-Y414 AromaticContact NE1-CE1 3.27Å; W369-Y414 VanDerWaalsContact NE1-CE1 3.27Å; W369-Y414 AromaticContact NE1-CE2 3.85Å; W369-Y414 AromaticContact NE1-CZ 2.95Å; W369-Y414 PolarHBondContact NE1-OH 2.67Å; V381-Y414 HydrophobicContact CG1-CE1 4.4Å; D385-Y414 PolarHBondContact O-OH 2.75Å; E386-Y414 HydrophobicContact CB-CD1 3.75Å; E386-Y414 HydrophobicContact CB-CD2 3.44Å; E386-Y414 VanDerWaalsContact CB-CD2 3.44Å; E386-Y414 HydrophobicContact CB-CE1 3.79Å; E386-Y414 HydrophobicContact CB-CE2 3.69Å; E386-Y414 HydrophobicContact CB-CG 3.52Å; E386-Y414 PolarHBondContact N-OH 3.08Å; L410-Y414 HydrophobicContact CB-CD2 4.31Å; L410-Y414 HydrophobicContact CB-CE2 4.03Å; L410-Y414 HydrophobicContact CD2-CE2 4.08Å; L410-Y414 WeakPolarHBondContact O-CD2 3.38Å; L410-Y414 PolarHBondContact O-N 2.9Å; F411-Y414 PolarHBondContact O-N 3.36Å; K412-Y414 VanDerWaalsContact C-N 3.32Å; Y414-L416 PolarHBondContact O-N 3.44Å; Y414-I417 WeakPolarHBondContact O-CG2 3.01Å; Y414-I417 PolarHBondContact O-N 3.48Å; Y414-T418 WeakPolarHBondContact O-CB 3.49Å; Y414-T418 VanDerWaalsContact O-CG2 3.24Å; Y414-T418 WeakPolarHBondContact O-CG2 3.44Å; Y414-T418 PolarHBondContact O-N 2.99Å; Y414-T418 PolarHBondContact O-OG1 2.8Å
415	D	93	Very high	94	Very high	56 Å²	56	61.7 Å²	61.7	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-53.8	-42.5	173.5	172.3	43.9	0	0	0	111.3	F411 T418 S419	F411-D415 PolarHBondContact O-N 2.97Å; D415-T418 WeakPolarHBondContact CA-OG1 3.49Å; D415-T418 PolarHBondContact O-OG1 2.87Å; D415-S419 VanDerWaalsContact O-CB 3.29Å; D415-S419 WeakPolarHBondContact O-CB 3.47Å; D415-S419 PolarHBondContact O-N 2.82Å; D415-S419 PolarHBondContact O-OG 3.14Å
416	L	94.7	Very high	93.4	Very high	81 Å²	81	60.4 Å²	60.4	42%	0.424	30%	0.299	S	S	.	.	H	α-helix	trans	-64.8	-49.1	177.7	-175.5	63.6	0	0	0	113.3	K412 N413 Y414 S419 Y420	K412-L416 WeakPolarHBondContact O-CB 3.25Å; K412-L416 PolarHBondContact O-N 2.68Å; N413-L416 PolarHBondContact O-N 3.41Å; Y414-L416 PolarHBondContact O-N 3.44Å; L416-S419 WeakPolarHBondContact O-CB 3.46Å; L416-S419 PolarHBondContact O-N 3.32Å; L416-Y420 HydrophobicContact CD1-CD2 4.42Å; L416-Y420 HydrophobicContact CD1-CE1 4.41Å; L416-Y420 HydrophobicContact CD1-CE2 3.73Å; L416-Y420 HydrophobicContact CD2-CE2 4.09Å; L416-Y420 HydrophobicContact CG-CD2 4.16Å; L416-Y420 HydrophobicContact CG-CE2 3.6Å; L416-Y420 WeakPolarHBondContact O-CD2 3.49Å; L416-Y420 PolarHBondContact O-N 3.35Å
417	I	95.1	Very high	92.6	Very high	24 Å²	24	61.9 Å²	61.9	12%	0.123	31%	0.306	C	S	.	.	H	α-helix	trans	-70.7	-34.7	-176.2	-166.8	64.3	0	0	0	112.2	F373 N413 Y414 Y420 R421	F373-I417 HydrophobicContact CB-CD1 4.11Å; F373-I417 HydrophobicContact CB-CG1 3.57Å; F373-I417 HydrophobicContact CD1-CG1 4.26Å; F373-I417 HydrophobicContact CD2-CB 4.48Å; F373-I417 HydrophobicContact CD2-CG1 3.77Å; F373-I417 HydrophobicContact CD2-CG2 3.82Å; F373-I417 HydrophobicContact CE2-CG2 3.73Å; F373-I417 HydrophobicContact CG-CG1 3.62Å; F373-I417 HydrophobicContact CG-CG2 4.28Å; F373-I417 HydrophobicContact CZ-CG2 4.14Å; N413-I417 PolarHBondContact O-N 3.24Å; Y414-I417 WeakPolarHBondContact O-CG2 3.01Å; Y414-I417 PolarHBondContact O-N 3.48Å; I417-Y420 HydrophobicContact CD1-CD2 4.46Å; I417-Y420 PolarHBondContact O-N 2.95Å; I417-R421 PolarHBondContact O-N 3.38Å
418	T	95.6	Very high	91.7	Very high	1 Å²	1	62 Å²	62	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-43.1	174.2	54.5	0	0	0	0	110.8	V81 L149 F373 Y414 D415 Y420 R421 L422	V81-T418 HydrophobicContact CG1-CG2 3.96Å; L149-T418 WeakPolarHBondContact O-CB 3.36Å; L149-T418 WeakPolarHBondContact O-CG2 3.3Å; L149-T418 PolarHBondContact O-OG1 3.18Å; L149-T418 VanDerWaalsContact O-OG1 3.07Å; F373-T418 HydrophobicContact CE1-CG2 3.76Å; F373-T418 HydrophobicContact CZ-CG2 3.6Å; Y414-T418 WeakPolarHBondContact O-CB 3.49Å; Y414-T418 VanDerWaalsContact O-CG2 3.24Å; Y414-T418 WeakPolarHBondContact O-CG2 3.44Å; Y414-T418 PolarHBondContact O-N 2.99Å; Y414-T418 PolarHBondContact O-OG1 2.8Å; D415-T418 WeakPolarHBondContact CA-OG1 3.49Å; D415-T418 PolarHBondContact O-OG1 2.87Å; T418-Y420 PolarHBondContact O-N 3.39Å; T418-R421 PolarHBondContact O-N 2.96Å; T418-R421 VanDerWaalsContact O-N 3.15Å; T418-L422 WeakPolarHBondContact O-CG 3.02Å; T418-L422 PolarHBondContact O-N 3.2Å
419	S	95.1	Very high	90.8	Very high	43 Å²	43	61.1 Å²	61.1	30%	0.301	29%	0.291	S	S	.	.	H	α-helix	trans	-55.5	-48.5	172.7	-68	0	0	0	0	111.9	D415 L416 R421 L422 E423	D415-S419 VanDerWaalsContact O-CB 3.29Å; D415-S419 WeakPolarHBondContact O-CB 3.47Å; D415-S419 PolarHBondContact O-N 2.82Å; D415-S419 PolarHBondContact O-OG 3.14Å; L416-S419 WeakPolarHBondContact O-CB 3.46Å; L416-S419 PolarHBondContact O-N 3.32Å; S419-R421 VanDerWaalsContact C-N 3.35Å; S419-R421 PolarHBondContact O-N 3.21Å; S419-L422 PolarHBondContact O-N 2.92Å; S419-E423 WeakPolarHBondContact O-CG 3.13Å; S419-E423 PolarHBondContact O-N 2.98Å
420	Y	93.9	Very high	89.7	Confident	131 Å²	131	62.7 Å²	62.7	51%	0.514	30%	0.297	S	S	.	.	H	α-helix	trans	-60.5	-41.5	175.7	-70.7	-40.8	0	0	0	112.9	L416 I417 T418 L422 E423 A424	L416-Y420 HydrophobicContact CD1-CD2 4.42Å; L416-Y420 HydrophobicContact CD1-CE1 4.41Å; L416-Y420 HydrophobicContact CD1-CE2 3.73Å; L416-Y420 HydrophobicContact CD2-CE2 4.09Å; L416-Y420 HydrophobicContact CG-CD2 4.16Å; L416-Y420 HydrophobicContact CG-CE2 3.6Å; L416-Y420 WeakPolarHBondContact O-CD2 3.49Å; L416-Y420 PolarHBondContact O-N 3.35Å; I417-Y420 HydrophobicContact CD1-CD2 4.46Å; I417-Y420 PolarHBondContact O-N 2.95Å; T418-Y420 PolarHBondContact O-N 3.39Å; Y420-L422 VanDerWaalsContact C-N 3.33Å; Y420-L422 PolarHBondContact O-N 3.25Å; Y420-E423 PolarHBondContact O-N 3.23Å; Y420-A424 WeakPolarHBondContact O-CB 3.43Å; Y420-A424 PolarHBondContact O-N 3.44Å
421	R	94	Very high	88.1	Confident	15 Å²	15	71.4 Å²	71.4	6%	0.057	34%	0.338	C	S	.	.	H	α-helix	trans	-63.7	-39.5	177.3	-178.7	65.1	176.2	108.7	2.2	111.9	V81 F373 G377 P379 I417 T418 S419 A424 K425	V81-R421 HydrophobicContact CG2-CG 4.18Å; F373-R421 HydrophobicContact CD1-CB 3.79Å; F373-R421 HydrophobicContact CD1-CG 4.08Å; F373-R421 HydrophobicContact CE1-CB 4.34Å; G377-R421 PolarHBondContact O-NH2 3.42Å; P379-R421 HydrophobicContact CG-CG 4.05Å; I417-R421 PolarHBondContact O-N 3.38Å; T418-R421 PolarHBondContact O-N 2.96Å; T418-R421 VanDerWaalsContact O-N 3.15Å; S419-R421 VanDerWaalsContact C-N 3.35Å; S419-R421 PolarHBondContact O-N 3.21Å; R421-A424 PolarHBondContact NH1-O 2.93Å; R421-A424 CarbonylContact O-C 3.52Å; R421-A424 PolarHBondContact O-N 2.91Å; R421-K425 PolarHBondContact NH1-O 3.18Å; R421-K425 VanDerWaalsContact NH1-O 3.07Å; R421-K425 WeakPolarHBondContact O-CA 3.45Å; R421-K425 PolarHBondContact O-N 3.18Å
422	L	93.5	Very high	86.2	Confident	48 Å²	48	77.4 Å²	77.4	25%	0.251	37%	0.371	S	S	.	.	H	α-helix	trans	-71.2	-38	179.1	-69.9	175.8	0	0	0	112.5	V81 G150 T152 T418 S419 Y420 A424 K425	V81-L422 HydrophobicContact CG2-CD2 3.96Å; V81-L422 HydrophobicContact CG2-CG 4.2Å; G150-L422 WeakPolarHBondContact O-CD1 3.34Å; T152-L422 HydrophobicContact CG2-CD2 3.99Å; T418-L422 WeakPolarHBondContact O-CG 3.02Å; T418-L422 PolarHBondContact O-N 3.2Å; S419-L422 PolarHBondContact O-N 2.92Å; Y420-L422 VanDerWaalsContact C-N 3.33Å; Y420-L422 PolarHBondContact O-N 3.25Å; L422-A424 VanDerWaalsContact C-N 3.3Å; L422-K425 WeakPolarHBondContact O-CB 3.04Å; L422-K425 WeakPolarHBondContact O-CD 3.21Å; L422-K425 WeakPolarHBondContact O-CG 3.35Å; L422-K425 PolarHBondContact O-N 2.87Å
423	E	93.2	Very high	84.1	Confident	150 Å²	150	76.1 Å²	76.1	70%	0.701	38%	0.377	S	S	*	.	H	α-helix	trans	-64.7	-36.2	172.7	-73.8	-178	176.8	0	0	111.9	S419 Y420	S419-E423 WeakPolarHBondContact O-CG 3.13Å; S419-E423 PolarHBondContact O-N 2.98Å; Y420-E423 PolarHBondContact O-N 3.23Å
424	A	91	Very high	82	Confident	26 Å²	26	83.1 Å²	83.1	22%	0.215	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	28.8	177.9	0	0	0	0	0	112.6	Y420 R421 L422 D426 I427	Y420-A424 WeakPolarHBondContact O-CB 3.43Å; Y420-A424 PolarHBondContact O-N 3.44Å; R421-A424 PolarHBondContact NH1-O 2.93Å; R421-A424 CarbonylContact O-C 3.52Å; R421-A424 PolarHBondContact O-N 2.91Å; L422-A424 VanDerWaalsContact C-N 3.3Å; A424-D426 PolarHBondContact O-N 3.23Å; A424-I427 HydrophobicContact CB-CB 4.21Å; A424-I427 HydrophobicContact CB-CD1 4.42Å; A424-I427 WeakPolarHBondContact O-CB 3.31Å; A424-I427 WeakPolarHBondContact O-CG2 3.07Å; A424-I427 PolarHBondContact O-N 2.74Å
425	K	85.5	Confident	79.9	Confident	106 Å²	106	87.5 Å²	87.5	46%	0.461	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-36.6	-172.3	63.8	-172.7	172.7	-170	0	113.5	N79 R421 L422 I427	N79-K425 HydrophobicContact CB-CB 4Å; N79-K425 HydrophobicContact CB-CD 4.07Å; N79-K425 HydrophobicContact CB-CG 4.32Å; N79-K425 VanDerWaalsContact OD1-CB 3.26Å; N79-K425 WeakPolarHBondContact OD1-CB 3.45Å; N79-K425 WeakPolarHBondContact OD1-CG 3.23Å; N79-K425 PolarHBondContact OD1-O 2.82Å; N79-K425 VanDerWaalsContact OD1-O 3.14Å; R421-K425 PolarHBondContact NH1-O 3.18Å; R421-K425 VanDerWaalsContact NH1-O 3.07Å; R421-K425 WeakPolarHBondContact O-CA 3.45Å; R421-K425 PolarHBondContact O-N 3.18Å; L422-K425 WeakPolarHBondContact O-CB 3.04Å; L422-K425 WeakPolarHBondContact O-CD 3.21Å; L422-K425 WeakPolarHBondContact O-CG 3.35Å; L422-K425 PolarHBondContact O-N 2.87Å; K425-I427 VanDerWaalsContact C-N 3.32Å; K425-I427 PolarHBondContact O-N 3.11Å
426	D	82.1	Confident	77.6	Confident	54 Å²	54	94.5 Å²	94.5	29%	0.289	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.8	178.3	69.9	-40.6	0	0	0	113.8	A424 F428 E429 R430	A424-D426 PolarHBondContact O-N 3.23Å; D426-F428 PolarHBondContact O-N 3.19Å; D426-E429 WeakPolarHBondContact O-CA 3.11Å; D426-E429 WeakPolarHBondContact O-CB 3.49Å; D426-E429 PolarHBondContact O-N 2.9Å; D426-R430 VanDerWaalsContact CG-NE 3.32Å; D426-R430 WeakPolarHBondContact O-CG 3.4Å; D426-R430 PolarHBondContact O-N 3.39Å; D426-R430 IonicContact OD1-CZ 3.59Å; D426-R430 VanDerWaalsContact OD1-CZ 3.32Å; D426-R430 IonicContact OD1-NE 3.48Å; D426-R430 PolarHBondContact OD1-NE 3.17Å; D426-R430 IonicContact OD1-NH2 2.77Å; D426-R430 PolarHBondContact OD1-NH2 3.31Å; D426-R430 IonicContact OD2-CZ 2.93Å; D426-R430 IonicContact OD2-NE 2.7Å; D426-R430 PolarHBondContact OD2-NE 2.86Å; D426-R430 IonicContact OD2-NH2 3.27Å
427	I	80.9	Confident	74.8	Confident	82 Å²	82	101 Å²	101	42%	0.421	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.9	-173	-167.2	168.9	0	0	0	113.3	A424 K425	A424-I427 HydrophobicContact CB-CB 4.21Å; A424-I427 HydrophobicContact CB-CD1 4.42Å; A424-I427 WeakPolarHBondContact O-CB 3.31Å; A424-I427 WeakPolarHBondContact O-CG2 3.07Å; A424-I427 PolarHBondContact O-N 2.74Å; K425-I427 VanDerWaalsContact C-N 3.32Å; K425-I427 PolarHBondContact O-N 3.11Å
428	F	76.7	Confident	72.1	Confident	58 Å²	58	107.2 Å²	107.2	25%	0.254	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-12.6	179	-55.8	-60.8	0	0	0	113.7	Y340 M375 P376 D426	Y340-F428 HydrophobicContact CD1-CB 3.8Å; Y340-F428 HydrophobicContact CD1-CD1 4.5Å; Y340-F428 HydrophobicContact CD1-CG 4.13Å; Y340-F428 HydrophobicContact CE1-CB 3.73Å; Y340-F428 HydrophobicContact CE1-CD1 4.04Å; Y340-F428 HydrophobicContact CE1-CG 4.05Å; M375-F428 WeakPolarHBondContact O-CZ 3.48Å; P376-F428 HydrophobicContact CB-CD1 4.48Å; P376-F428 HydrophobicContact CB-CE1 4.25Å; P376-F428 HydrophobicContact CB-CZ 4.49Å; P376-F428 HydrophobicContact CG-CD1 4.32Å; P376-F428 HydrophobicContact CG-CE1 3.89Å; P376-F428 HydrophobicContact CG-CZ 4.41Å; D426-F428 PolarHBondContact O-N 3.19Å
429	E	76.6	Confident	69	Low	85 Å²	85	118.1 Å²	118.1	40%	0.397	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91	-18.3	173	-61.5	-179.7	-179.8	0	0	112	K75 D426 Q431	K75-E429 IonicContact NZ-OE2 2.84Å; D426-E429 WeakPolarHBondContact O-CA 3.11Å; D426-E429 WeakPolarHBondContact O-CB 3.49Å; D426-E429 PolarHBondContact O-N 2.9Å; E429-Q431 PolarHBondContact O-N 3.21Å
430	R	71.5	Confident	66.2	Low	129 Å²	129	128.2 Å²	128.2	49%	0.487	59%	0.594	S	S	.	*	S	Bend	trans	-64.8	127	179.1	-70.1	174.3	-168.4	175	6.3	109.7	D426 L432	D426-R430 VanDerWaalsContact CG-NE 3.32Å; D426-R430 WeakPolarHBondContact O-CG 3.4Å; D426-R430 PolarHBondContact O-N 3.39Å; D426-R430 IonicContact OD1-CZ 3.59Å; D426-R430 VanDerWaalsContact OD1-CZ 3.32Å; D426-R430 IonicContact OD1-NE 3.48Å; D426-R430 PolarHBondContact OD1-NE 3.17Å; D426-R430 IonicContact OD1-NH2 2.77Å; D426-R430 PolarHBondContact OD1-NH2 3.31Å; D426-R430 IonicContact OD2-CZ 2.93Å; D426-R430 IonicContact OD2-NE 2.7Å; D426-R430 PolarHBondContact OD2-NE 2.86Å; D426-R430 IonicContact OD2-NH2 3.27Å; R430-L432 PolarHBondContact O-N 3.11Å; R430-L432 VanDerWaalsContact O-N 3.17Å
431	Q	60.6	Low	63.4	Low	184 Å²	184	127.1 Å²	127.1	86%	0.86	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-59.7	123.5	167.9	-71.8	-169.3	0.1	0	0	108.6	E429	E429-Q431 PolarHBondContact O-N 3.21Å
432	L	55.1	Low	60.6	Low	157 Å²	157	129.2 Å²	129.2	82%	0.822	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-54.8	131.4	171.3	-72.8	170.3	0	0	0	108.3	R430 K434	R430-L432 PolarHBondContact O-N 3.11Å; R430-L432 VanDerWaalsContact O-N 3.17Å; L432-K434 PolarHBondContact O-N 2.89Å; L432-K434 VanDerWaalsContact O-N 3.11Å
433	P	51.1	Low	58.3	Low	116 Å²	116	134.9 Å²	134.9	75%	0.753	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-52.8	125.2	173.4	-19.7	29.1	0	0	0	107.9	A435	P433-A435 PolarHBondContact O-N 2.88Å
434	K	50.1	Low	56	Low	198 Å²	198	134.6 Å²	134.6	86%	0.861	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-53.4	116.4	171.2	-71.4	-174.7	179.5	-179.2	0	106.5	L432 K436	L432-K434 PolarHBondContact O-N 2.89Å; L432-K434 VanDerWaalsContact O-N 3.11Å; K434-K436 PolarHBondContact O-N 3.34Å
435	A	49	Very low	53.5	Low	94 Å²	94	139.5 Å²	139.5	78%	0.777	67%	0.673	S	S	*	*			trans	-50.9	114.4	-179.9	0	0	0	0	0	108	P433 R437	P433-A435 PolarHBondContact O-N 2.88Å; A435-R437 PolarHBondContact O-N 3Å
436	K	44.3	Very low	51	Low	203 Å²	203	139.5 Å²	139.5	88%	0.883	68%	0.675	S	S	*	*			trans	-67	91.8	170.5	-80.3	-174.7	176.4	-179.4	0	106	K434 N438	K434-K436 PolarHBondContact O-N 3.34Å; K436-N438 PolarHBondContact O-N 2.93Å
437	R	36.4	Very low	49	Very low	217 Å²	217	141.9 Å²	141.9	82%	0.819	69%	0.693	S	S	*	*			trans	-45.5	101	164.6	-109.8	-177.8	170.3	177.4	-1	107	A435	A435-R437 PolarHBondContact O-N 3Å
438	N	37.5	Very low	47.3	Very low	154 Å²	154	148 Å²	148	82%	0.824	71%	0.711	S	S	*	*			trans	-174.3	76.1	160.7	-91.8	-16.6	0	0	0	109	K436	K436-N438 PolarHBondContact O-N 2.93Å
439	R	31.4	Very low	45.7	Very low	230 Å²	230	153.5 Å²	153.5	87%	0.868	73%	0.73	S	S	*	*			trans	-173.2	100.2	136.2	-100.4	163.7	-170.1	-162.8	2.6	106.7	V441	R439-V441 HydrophobicContact CB-CG2 4.4Å; R439-V441 PolarHBondContact O-N 2.91Å
440	R	36.4	Very low	44	Very low	256 Å²	256	157 Å²	157	97%	0.966	75%	0.747	S	S	*	*			trans	-57.9	96.3	149.3	-93	-179.9	170.9	172.9	-3.7	104.6	S442	R440-S442 VanDerWaalsContact C-N 3.34Å; R440-S442 PolarHBondContact O-N 3.16Å; R440-S442 VanDerWaalsContact O-N 3.15Å
441	V	34.9	Very low	42.5	Very low	108 Å²	108	156.2 Å²	156.2	66%	0.655	75%	0.752	S	S	*	*			trans	-70.4	105.9	161.1	-178.4	0	0	0	0	103.5	R439 L443	R439-V441 HydrophobicContact CB-CG2 4.4Å; R439-V441 PolarHBondContact O-N 2.91Å; V441-L443 PolarHBondContact O-N 3.37Å; V441-L443 VanDerWaalsContact O-N 3.14Å
442	S	34.4	Very low	41.8	Very low	58 Å²	58	152.8 Å²	152.8	41%	0.406	74%	0.739	S	S	.	*			trans	-56.8	116.4	166	-176.3	0	0	0	0	106	R440 D444 D445	R440-S442 VanDerWaalsContact C-N 3.34Å; R440-S442 PolarHBondContact O-N 3.16Å; R440-S442 VanDerWaalsContact O-N 3.15Å; S442-D444 PolarHBondContact O-N 3.24Å; S442-D445 PolarHBondContact O-N 2.77Å
443	L	44.8	Very low	41.4	Very low	167 Å²	167	152.5 Å²	152.5	87%	0.874	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-10.8	177.7	-79.4	160.6	0	0	0	112.3	V441	V441-L443 PolarHBondContact O-N 3.37Å; V441-L443 VanDerWaalsContact O-N 3.14Å
444	D	46	Very low	41	Very low	145 Å²	145	153.9 Å²	153.9	78%	0.775	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-14	176.5	-62.8	-32.7	0	0	0	114	S442	S442-D444 PolarHBondContact O-N 3.24Å
445	D	38.5	Very low	40.6	Very low	129 Å²	129	151 Å²	151	69%	0.69	72%	0.717	S	S	*	*	S	Bend	trans	-108.3	82.7	178.8	-74.8	-36.8	0	0	0	111.2	S442	S442-D445 PolarHBondContact O-N 2.77Å
446	E	33.5	Very low	40.6	Very low	105 Å²	105	150.1 Å²	150.1	49%	0.491	71%	0.71	S	S	.	*			trans	42.3	122.3	162.3	-74	-162	172.1	0	0	120.4	R449	E446-R449 VanDerWaalsContact CD-NE 3.33Å; E446-R449 IonicContact OE1-CZ 3.56Å; E446-R449 IonicContact OE1-NE 2.83Å; E446-R449 PolarHBondContact OE1-NE 3.45Å; E446-R449 IonicContact OE1-NH2 3.52Å; E446-R449 WeakPolarHBondContact OE2-CD 3.43Å; E446-R449 WeakPolarHBondContact OE2-CG 3.38Å; E446-R449 IonicContact OE2-CZ 3.85Å; E446-R449 IonicContact OE2-NE 3.01Å; E446-R449 PolarHBondContact OE2-NE 2.95Å
447	P	39.4	Very low	40.4	Very low	105 Å²	105	147 Å²	147	68%	0.682	70%	0.703	S	S	*	*	S	Bend		-127	39.2	123.8	37.7	-29.7	0	0	0	111.9
448	R	44	Very low	40.2	Very low	209 Å²	209	142.3 Å²	142.3	79%	0.789	69%	0.693	S	S	*	*	H	α-helix	trans	-80.1	-19.2	173.2	-74.2	-172.1	-178.8	-168.8	2	113.5
449	R	44.5	Very low	39.9	Very low	175 Å²	175	140 Å²	140	66%	0.66	69%	0.686	S	S	*	*	H	α-helix	trans	-77.7	-27.9	-179.2	-77.1	-175.7	-162.5	-166.9	2.1	115.3	E446	E446-R449 VanDerWaalsContact CD-NE 3.33Å; E446-R449 IonicContact OE1-CZ 3.56Å; E446-R449 IonicContact OE1-NE 2.83Å; E446-R449 PolarHBondContact OE1-NE 3.45Å; E446-R449 IonicContact OE1-NH2 3.52Å; E446-R449 WeakPolarHBondContact OE2-CD 3.43Å; E446-R449 WeakPolarHBondContact OE2-CG 3.38Å; E446-R449 IonicContact OE2-CZ 3.85Å; E446-R449 IonicContact OE2-NE 3.01Å; E446-R449 PolarHBondContact OE2-NE 2.95Å
450	E	41.5	Very low	40	Very low	158 Å²	158	137.9 Å²	137.9	74%	0.738	68%	0.684	S	S	*	*	H	α-helix	trans	-82.2	-27.9	-178.6	-72.7	-168.8	163.6	0	0	113.2	D452 H453 H454	E450-D452 VanDerWaalsContact C-N 3.33Å; E450-D452 PolarHBondContact O-N 3.49Å; E450-H453 PolarHBondContact O-N 3.03Å; E450-H454 PolarHBondContact O-N 3.29Å
451	L	39.5	Very low	39.5	Very low	113 Å²	113	136.1 Å²	136.1	59%	0.592	68%	0.679	S	S	*	*	H	α-helix	trans	-70	-30.2	179.3	-136.6	87.3	0	0	0	112.9	K455	L451-K455 PolarHBondContact O-N 2.88Å
452	D	46.2	Very low	39.4	Very low	112 Å²	112	138.4 Å²	138.4	60%	0.599	68%	0.682	S	S	*	*	H	α-helix	trans	-74.7	-32.3	179.6	-76.9	-17.6	0	0	0	112.3	E450 A456	E450-D452 VanDerWaalsContact C-N 3.33Å; E450-D452 PolarHBondContact O-N 3.49Å; D452-A456 PolarHBondContact O-N 3.17Å
453	H	46.4	Very low	39.1	Very low	150 Å²	150	142.1 Å²	142.1	69%	0.694	70%	0.697	S	S	*	*	H	α-helix	trans	-70.3	-32.7	175	-88.1	-62.1	0	0	0	113	E450	E450-H453 PolarHBondContact O-N 3.03Å
454	H	42.5	Very low	38.4	Very low	146 Å²	146	142.3 Å²	142.3	68%	0.676	69%	0.693	S	S	*	*	H	α-helix	trans	-78.2	-29.2	176.8	-97	-48.2	0	0	0	113.8	E450 A456 N457	E450-H454 PolarHBondContact O-N 3.29Å; H454-A456 VanDerWaalsContact C-N 3.26Å; H454-A456 PolarHBondContact O-N 3.47Å; H454-N457 PolarHBondContact O-N 2.78Å
455	K	42.3	Very low	37.5	Very low	136 Å²	136	143.9 Å²	143.9	59%	0.591	69%	0.693	S	S	*	*	H	α-helix	trans	-66.4	-26.8	172.3	-78.3	-179	179.4	174.5	0	113.3	L451 N457	L451-K455 PolarHBondContact O-N 2.88Å; K455-N457 PolarHBondContact O-N 3.49Å
456	A	49	Very low	37	Very low	77 Å²	77	145.8 Å²	145.8	64%	0.636	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-22.8	178.1	0	0	0	0	0	113.7	D452 H454	D452-A456 PolarHBondContact O-N 3.17Å; H454-A456 VanDerWaalsContact C-N 3.26Å; H454-A456 PolarHBondContact O-N 3.47Å
457	N	40.2	Very low	36.7	Very low	138 Å²	138	146 Å²	146	74%	0.738	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	7.6	-175.5	-74.4	-23.4	0	0	0	114.6	H454 K455	H454-N457 PolarHBondContact O-N 2.78Å; K455-N457 PolarHBondContact O-N 3.49Å
458	L	32	Very low	36.1	Very low	118 Å²	118	149.8 Å²	149.8	62%	0.618	72%	0.717	S	S	*	*	S	Bend	trans	-77.8	127.8	170.9	-75.2	166.2	0	0	0	109.4	K460	L458-K460 PolarHBondContact O-N 3.25Å
459	P	31	Very low	35.3	Very low	104 Å²	104	149.1 Å²	149.1	68%	0.675	72%	0.72	S	S	*	*			trans	-54.3	118.9	176.3	-22.3	31.2	0	0	0	109.8	Y461	P459-Y461 PolarHBondContact O-N 3.07Å
460	K	32.9	Very low	34.4	Very low	186 Å²	186	146.2 Å²	146.2	81%	0.809	72%	0.721	S	S	*	*			trans	-63.7	97.9	173.3	-72.8	-178.4	178.8	177.2	0	108.1	L458 H462	L458-K460 PolarHBondContact O-N 3.25Å; K460-H462 PolarHBondContact O-N 2.89Å
461	Y	26.9	Very low	33.8	Very low	220 Å²	220	145.4 Å²	145.4	86%	0.863	72%	0.722	S	S	*	*			trans	-62.9	105	165.6	-88.6	-92.3	0	0	0	107.5	P459 D463	P459-Y461 PolarHBondContact O-N 3.07Å; Y461-D463 PolarHBondContact O-N 3Å
462	H	31.2	Very low	33.3	Very low	155 Å²	155	147 Å²	147	72%	0.718	73%	0.73	S	S	*	*			trans	-65.7	105.8	172.6	-81.5	-80.6	0	0	0	108.2	K460 H464	K460-H462 PolarHBondContact O-N 2.89Å; H462-H464 PolarHBondContact O-N 3.48Å
463	D	29.5	Very low	32.4	Very low	136 Å²	136	151.1 Å²	151.1	73%	0.727	74%	0.743	S	S	*	*			trans	-59.1	81	167	-114.1	-1.7	0	0	0	108.9	Y461 K465	Y461-D463 PolarHBondContact O-N 3Å; D463-K465 PolarHBondContact O-N 3.31Å
464	H	30	Very low	31.5	Very low	172 Å²	172	152.5 Å²	152.5	80%	0.796	75%	0.75	S	S	*	*			trans	-71.4	80	164.2	-86.3	-75.6	0	0	0	108	H462 E466	H462-H464 PolarHBondContact O-N 3.48Å; H464-E466 PolarHBondContact O-N 3.14Å
465	K	27	Very low	30.7	Very low	178 Å²	178	154.8 Å²	154.8	77%	0.774	76%	0.761	S	S	*	*			trans	-68.6	72.8	163.4	-76.2	-176.5	177.6	175.4	0	109.6	D463	D463-K465 PolarHBondContact O-N 3.31Å
466	E	27.9	Very low	30	Very low	168 Å²	168	160 Å²	160	79%	0.785	78%	0.777	S	S	*	*			trans	-97.9	96.3	154.6	-84.8	-164.8	167	0	0	109.1	H464 K468	H464-E466 PolarHBondContact O-N 3.14Å; E466-K468 VanDerWaalsContact C-N 3.29Å; E466-K468 PolarHBondContact O-N 3.22Å
467	S	26.7	Very low	28.9	Very low	111 Å²	111	165.5 Å²	165.5	78%	0.776	79%	0.786	S	S	*	*			trans	-63	80.4	174.7	47.5	0	0	0	0	111.4	K469	S467-K469 VanDerWaalsContact C-N 3.32Å; S467-K469 PolarHBondContact O-N 3.23Å
468	K	26.8	Very low	28.3	Very low	184 Å²	184	165.2 Å²	165.2	80%	0.8	79%	0.792	S	S	*	*			trans	-76	91.7	159.9	-80.7	-174.3	178.6	175.5	0	108.7	E466 V470	E466-K468 VanDerWaalsContact C-N 3.29Å; E466-K468 PolarHBondContact O-N 3.22Å; K468-V470 VanDerWaalsContact C-N 3.33Å; K468-V470 PolarHBondContact O-N 3.32Å
469	K	26.4	Very low	28.2	Very low	195 Å²	195	169.2 Å²	169.2	85%	0.848	81%	0.805	S	S	*	*			trans	-53.4	94.4	163	-76.5	-179.5	174.7	179.1	0	109	S467 N471	S467-K469 VanDerWaalsContact C-N 3.32Å; S467-K469 PolarHBondContact O-N 3.23Å; K469-N471 PolarHBondContact O-N 2.92Å
470	V	26.7	Very low	28.1	Very low	113 Å²	113	173.6 Å²	173.6	69%	0.685	82%	0.816	S	S	*	*			trans	-89.1	101.6	166.5	-177.8	0	0	0	0	106.3	K468 L472	K468-V470 VanDerWaalsContact C-N 3.33Å; K468-V470 PolarHBondContact O-N 3.32Å; V470-L472 PolarHBondContact O-N 3.25Å
471	N	28.6	Very low	27.9	Very low	142 Å²	142	171.1 Å²	171.1	76%	0.759	82%	0.817	S	S	*	*			trans	-60.2	103.1	170.7	-85.1	-23.1	0	0	0	108.5	K469 F473	K469-N471 PolarHBondContact O-N 2.92Å; N471-F473 PolarHBondContact O-N 3.22Å; N471-F473 VanDerWaalsContact O-N 3.11Å
472	L	29.2	Very low	27.9	Very low	147 Å²	147	165 Å²	165	77%	0.77	81%	0.811	S	S	*	*			trans	-77.5	17.7	-176.5	-110.5	129	0	0	0	114.4	V470	V470-L472 PolarHBondContact O-N 3.25Å
473	F	27.7	Very low	27.6	Very low	197 Å²	197	167 Å²	167	86%	0.864	82%	0.818	S	S	*	*			trans	-132.4	65.2	-178.1	-59.9	-76.5	0	0	0	111	N471	N471-F473 PolarHBondContact O-N 3.22Å; N471-F473 VanDerWaalsContact O-N 3.11Å
474	E	27.6	Very low	27.5	Very low	180 Å²	180	166.3 Å²	166.3	84%	0.841	82%	0.819	S	S	*	*			trans	-97	108.8	157.6	-89.9	-172	166.4	0	0	109.2	R476	E474-R476 PolarHBondContact O-N 3.5Å
475	E	25.2	Very low	27.2	Very low	194 Å²	194	165.4 Å²	165.4	91%	0.907	82%	0.82	S	S	*	*			trans	-54.2	99.9	172.2	-70.5	-179.9	151.2	0	0	110.7	K477	E475-K477 PolarHBondContact O-N 2.92Å
476	R	26.9	Very low	27.1	Very low	246 Å²	246	166.7 Å²	166.7	93%	0.928	83%	0.826	S	S	*	*			trans	-75	109.4	169.8	-77.3	-175.8	173.1	-175.7	-0.6	109.6	E474	E474-R476 PolarHBondContact O-N 3.5Å
477	K	26.6	Very low	26.9	Very low	192 Å²	192	165.5 Å²	165.5	84%	0.835	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-52.8	148.2	170.5	-74	-174.7	177.8	179.2	0	112.3	E475 K479	E475-K477 PolarHBondContact O-N 2.92Å; K477-K479 PolarHBondContact O-N 3.48Å
478	P	28.3	Very low	26.8	Very low	132 Å²	132	165.8 Å²	165.8	86%	0.857	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-74.8	123.4	-164.2	27.5	-28.3	0	0	0	111.3
479	K	30.1	Very low	26.7	Very low	202 Å²	202	168.6 Å²	168.6	88%	0.878	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-80.3	129.5	168.4	-79.7	-173.9	173.4	-176.6	0	109.4	K477 T481	K477-K479 PolarHBondContact O-N 3.48Å; K479-T481 PolarHBondContact O-N 2.96Å
480	E	27.7	Very low	26.7	Very low	195 Å²	195	165.2 Å²	165.2	91%	0.911	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-51.2	130.2	-178.2	-71.4	173	139.5	0	0	112.9	A482	E480-A482 PolarHBondContact O-N 2.78Å
481	T	28.2	Very low	26.6	Very low	135 Å²	135	164.3 Å²	164.3	83%	0.828	83%	0.833	S	S	*	*			trans	-73.9	100.9	178.6	32.6	0	0	0	0	110.6	K479 K483	K479-T481 PolarHBondContact O-N 2.96Å; T481-K483 PolarHBondContact O-N 2.74Å
482	A	27.6	Very low	26.4	Very low	91 Å²	91	169.3 Å²	169.3	75%	0.752	84%	0.841	S	S	*	*			trans	-67.7	113.1	162.2	0	0	0	0	0	108.9	E480 T484	E480-A482 PolarHBondContact O-N 2.78Å; A482-T484 PolarHBondContact O-N 3.04Å; A482-T484 VanDerWaalsContact O-N 3.11Å
483	K	25.1	Very low	26.2	Very low	198 Å²	198	168.6 Å²	168.6	86%	0.861	84%	0.838	S	S	*	*			trans	-59.9	104.9	178.5	-66.7	174.6	177.9	176.3	0	110.7	T481	T481-K483 PolarHBondContact O-N 2.74Å
484	T	26.6	Very low	26.1	Very low	121 Å²	121	162.6 Å²	162.6	74%	0.742	83%	0.832	S	S	*	*			trans	-109.6	117.7	160.7	38.8	0	0	0	0	109.1	A482 F486	A482-T484 PolarHBondContact O-N 3.04Å; A482-T484 VanDerWaalsContact O-N 3.11Å; T484-F486 PolarHBondContact O-N 3.06Å
485	N	24.9	Very low	25.9	Very low	153 Å²	153	165.4 Å²	165.4	82%	0.818	84%	0.835	S	S	*	*			trans	-60.9	111.5	-173.4	-70.6	-34.2	0	0	0	111.3	N487	N485-N487 PolarHBondContact O-N 2.88Å
486	F	23.7	Very low	26	Very low	204 Å²	204	159.2 Å²	159.2	90%	0.895	81%	0.812	S	S	*	*			trans	-71.9	99.1	164.4	-89.4	-92.2	0	0	0	109.2	T484	T484-F486 PolarHBondContact O-N 3.06Å
487	N	24.1	Very low	25.9	Very low	143 Å²	143	150.4 Å²	150.4	77%	0.765	79%	0.792	S	S	*	*			trans	-108.3	95.5	161.4	-93.6	-14.5	0	0	0	109.9	N485	N485-N487 PolarHBondContact O-N 2.88Å
488	T	24.5	Very low	25.8	Very low	117 Å²	117	145.1 Å²	145.1	72%	0.718	78%	0.776	S	S	*	*			trans	39	119.2	138.3	56.9	0	0	0	0	120.8
489	R	24.3	Very low	25.6	Very low	244 Å²	244	143.9 Å²	143.9	92%	0.921	77%	0.768	S	S	*	*			trans	57.5	84.9	140	-69.1	179.4	168.7	176.6	-3.7	116.9
490	S	26.2	Very low	25.3	Very low	124 Å²	124	140.8 Å²	140.8	87%	0.867	76%	0.755	S	S	*	*			trans	-80.8	123	151.7	56.8	0	0	0	0	109.9
491	A	25.9	Very low	25.1	Very low	93 Å²	93	135.3 Å²	135.3	77%	0.769	74%	0.743	S	S	*	*			trans	-67.7	138.7	177.9	0	0	0	0	0	110.9	N493	A491-N493 PolarHBondContact O-N 2.85Å
492	R	23.7	Very low	25.1	Very low	248 Å²	248	134.2 Å²	134.2	94%	0.936	74%	0.738	S	S	*	*			trans	-62.2	110.1	172.2	-70.7	173.5	174.3	170.3	-3.3	109.6
493	N	26	Very low	25.1	Very low	132 Å²	132	137 Å²	137	71%	0.706	73%	0.733	S	S	*	*			trans	-135.7	122.9	159.2	-91.6	-11.9	0	0	0	108.3	A491	A491-N493 PolarHBondContact O-N 2.85Å
494	G	24.7	Very low	25.4	Very low	71 Å²	71	135.3 Å²	135.3	73%	0.732	72%	0.723	S	S	*	*			trans	126.7	69.5	-168.5	0	0	0	0	0	109.9	S496	G494-S496 PolarHBondContact O-N 3.34Å
495	R	24.5	Very low	25.8	Very low	239 Å²	239	133.4 Å²	133.4	90%	0.902	71%	0.71	S	S	*	*			trans	-67.7	74.7	164.8	-73.8	-179.1	175.7	177.4	-1.6	107.5	A497	R495-A497 PolarHBondContact O-N 3.07Å
496	S	25.5	Very low	26	Very low	63 Å²	63	128.3 Å²	128.3	44%	0.441	69%	0.686	S	S	.	*			trans	-67.7	119.9	151.7	66.2	0	0	0	0	104.8	G494 T498	G494-S496 PolarHBondContact O-N 3.34Å; S496-T498 PolarHBondContact O-N 3.41Å
497	A	26.5	Very low	26.7	Very low	61 Å²	61	121.6 Å²	121.6	50%	0.504	66%	0.664	S	S	.	*			trans	-59.1	82.8	169.7	0	0	0	0	0	108.2	R495	R495-A497 PolarHBondContact O-N 3.07Å
498	T	23.3	Very low	27.2	Very low	81 Å²	81	119.7 Å²	119.7	50%	0.497	66%	0.662	S	S	.	*			trans	-59	128.8	163.1	42.8	0	0	0	0	105.5	S496 F500	S496-T498 PolarHBondContact O-N 3.41Å; T498-F500 VanDerWaalsContact C-N 3.31Å; T498-F500 PolarHBondContact O-N 2.85Å
499	P	24	Very low	27.5	Very low	106 Å²	106	120.1 Å²	120.1	69%	0.688	66%	0.659	S	S	*	*			trans	-61.8	100.5	180	25.9	-32	0	0	0	106.4	A501	P499-A501 VanDerWaalsContact C-N 3.34Å; P499-A501 PolarHBondContact O-N 2.67Å
500	F	23.3	Very low	28.1	Very low	138 Å²	138	112.9 Å²	112.9	61%	0.605	64%	0.638	S	S	*	*			trans	-63.7	107.7	166.6	-87.4	-84.5	0	0	0	104.1	T498	T498-F500 VanDerWaalsContact C-N 3.31Å; T498-F500 PolarHBondContact O-N 2.85Å
501	A	24	Very low	28.2	Very low	79 Å²	79	111.2 Å²	111.2	65%	0.653	62%	0.624	S	S	*	*			trans	-41.4	136.4	166	0	0	0	0	0	108.1	P499 K503	P499-A501 VanDerWaalsContact C-N 3.34Å; P499-A501 PolarHBondContact O-N 2.67Å; A501-K503 PolarHBondContact O-N 3.21Å
502	P	27.9	Very low	29.1	Very low	112 Å²	112	114.6 Å²	114.6	73%	0.727	63%	0.629	S	S	*	*			trans	-47.8	107.1	-168.1	16.6	-30.2	0	0	0	108.7	Y504	P502-Y504 PolarHBondContact O-N 3.07Å
503	K	28.6	Very low	29.7	Very low	151 Å²	151	107.2 Å²	107.2	66%	0.657	61%	0.612	S	S	*	*			trans	-63.9	111.5	179.3	-85.4	-177.7	179.1	172.3	0	105.1	A501 V505	A501-K503 PolarHBondContact O-N 3.21Å; K503-V505 PolarHBondContact O-N 2.81Å
504	Y	30.4	Very low	30.2	Very low	162 Å²	162	104.4 Å²	104.4	64%	0.635	60%	0.601	S	S	*	*			trans	-25.6	110.8	155.2	174.9	-101	0	0	0	108.9	P502 P506	P502-Y504 PolarHBondContact O-N 3.07Å; Y504-P506 HydrophobicContact CD1-CB 4.2Å; Y504-P506 HydrophobicContact CD1-CG 3.95Å; Y504-P506 VanDerWaalsContact CE1-CA 3.47Å; Y504-P506 HydrophobicContact CE1-CB 3.79Å; Y504-P506 HydrophobicContact CE1-CG 4.05Å; Y504-P506 WeakPolarHBondContact O-CD 3.49Å
505	V	34.7	Very low	31.2	Very low	80 Å²	80	106.1 Å²	106.1	49%	0.485	61%	0.608	S	S	.	*			trans	-75.5	104.4	168.9	179.7	0	0	0	0	104.2	K503 S507 L509 I510	K503-V505 PolarHBondContact O-N 2.81Å; V505-S507 PolarHBondContact O-N 2.79Å; V505-L509 HydrophobicContact CG1-CB 4.27Å; V505-I510 HydrophobicContact CG1-CG1 4.19Å
506	P	29.9	Very low	32	Very low	46 Å²	46	102 Å²	102	30%	0.299	60%	0.604	S	S	.	*			trans	-60.1	137.1	173.1	-11.3	29.1	0	0	0	107	Y504 S508 L509	Y504-P506 HydrophobicContact CD1-CB 4.2Å; Y504-P506 HydrophobicContact CD1-CG 3.95Å; Y504-P506 VanDerWaalsContact CE1-CA 3.47Å; Y504-P506 HydrophobicContact CE1-CB 3.79Å; Y504-P506 HydrophobicContact CE1-CG 4.05Å; Y504-P506 WeakPolarHBondContact O-CD 3.49Å; P506-S508 PolarHBondContact O-N 3.07Å; P506-L509 HydrophobicContact CG-CD1 4.47Å; P506-L509 PolarHBondContact O-N 2.9Å
507	S	38.7	Very low	32.6	Very low	64 Å²	64	101 Å²	101	45%	0.448	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-51.6	-23.6	-179.6	43	0	0	0	0	113.3	V505 L509 I510	V505-S507 PolarHBondContact O-N 2.79Å; S507-L509 VanDerWaalsContact C-N 3.27Å; S507-L509 PolarHBondContact O-N 3.23Å; S507-I510 WeakPolarHBondContact O-CB 2.96Å; S507-I510 PolarHBondContact O-N 3.34Å
508	S	34.6	Very low	33.4	Very low	102 Å²	102	100 Å²	100	71%	0.713	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-67.4	-14.8	174.1	67.3	0	0	0	0	116	P506	P506-S508 PolarHBondContact O-N 3.07Å
509	L	31.8	Very low	34.3	Very low	126 Å²	126	98.6 Å²	98.6	66%	0.66	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-98.7	-2.8	175	-80	169.9	0	0	0	112.4	V505 P506 S507 P511	V505-L509 HydrophobicContact CG1-CB 4.27Å; P506-L509 HydrophobicContact CG-CD1 4.47Å; P506-L509 PolarHBondContact O-N 2.9Å; S507-L509 VanDerWaalsContact C-N 3.27Å; S507-L509 PolarHBondContact O-N 3.23Å; L509-P511 VanDerWaalsContact O-CD 3.27Å; L509-P511 WeakPolarHBondContact O-CD 3.31Å
510	I	35.1	Very low	35.1	Very low	93 Å²	93	98.6 Å²	98.6	48%	0.477	58%	0.581	S	S	.	*	S	Bend	trans	-81.9	108.5	164	-54.5	174.7	0	0	0	104	V505 S507 D512	V505-I510 HydrophobicContact CG1-CG1 4.19Å; S507-I510 WeakPolarHBondContact O-CB 2.96Å; S507-I510 PolarHBondContact O-N 3.34Å; I510-D512 PolarHBondContact O-N 3.33Å
511	P	29.2	Very low	36	Very low	89 Å²	89	102.7 Å²	102.7	58%	0.578	59%	0.592	S	S	*	*			trans	-53.4	130.2	176.3	20.3	-29.8	0	0	0	107.9	L509 T513	L509-P511 VanDerWaalsContact O-CD 3.27Å; L509-P511 WeakPolarHBondContact O-CD 3.31Å; P511-T513 WeakPolarHBondContact O-CA 3.34Å; P511-T513 PolarHBondContact O-N 3.39Å
512	D	44.6	Very low	37.2	Very low	163 Å²	163	102.8 Å²	102.8	87%	0.872	58%	0.579	S	S	*	*	S	Bend	trans	-53.3	-13.2	-169.5	-82.8	-36.3	0	0	0	113.7	I510	I510-D512 PolarHBondContact O-N 3.33Å
513	T	36.7	Very low	37.9	Very low	93 Å²	93	100.8 Å²	100.8	57%	0.571	56%	0.562	S	S	*	*	S	Bend	trans	-165	125.6	158.6	2.3	0	0	0	0	106.4	P511 A515 A517	P511-T513 WeakPolarHBondContact O-CA 3.34Å; P511-T513 PolarHBondContact O-N 3.39Å; T513-A515 PolarHBondContact O-N 3.14Å; T513-A517 HydrophobicContact CG2-CB 4Å
514	P	37.2	Very low	38.4	Very low	74 Å²	74	99.1 Å²	99.1	48%	0.481	56%	0.558	S	S	.	*			trans	-48.2	141.2	159.9	-23.3	27.9	0	0	0	108.6	D516 A517	P514-D516 PolarHBondContact O-N 3.43Å; P514-A517 HydrophobicContact CB-CB 3.85Å; P514-A517 VanDerWaalsContact CD-CB 3.45Å; P514-A517 HydrophobicContact CG-CB 3.79Å; P514-A517 WeakPolarHBondContact O-CB 3.23Å; P514-A517 PolarHBondContact O-N 3.15Å
515	A	44.6	Very low	39.2	Very low	107 Å²	107	94.3 Å²	94.3	88%	0.884	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-17.9	-179.7	0	0	0	0	0	113.3	T513	T513-A515 PolarHBondContact O-N 3.14Å
516	D	41.3	Very low	39.9	Very low	151 Å²	151	95.9 Å²	95.9	81%	0.807	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	6.4	-178.1	-40.3	-33	0	0	0	112.9	P514 V518	P514-D516 PolarHBondContact O-N 3.43Å; D516-V518 PolarHBondContact O-N 3.43Å
517	A	38.6	Very low	40.5	Very low	42 Å²	42	98.9 Å²	98.9	35%	0.347	56%	0.557	S	S	.	*			trans	-77.7	111.7	179.5	0	0	0	0	0	111	T513 P514 S519	T513-A517 HydrophobicContact CG2-CB 4Å; P514-A517 HydrophobicContact CB-CB 3.85Å; P514-A517 VanDerWaalsContact CD-CB 3.45Å; P514-A517 HydrophobicContact CG-CB 3.79Å; P514-A517 WeakPolarHBondContact O-CB 3.23Å; P514-A517 PolarHBondContact O-N 3.15Å; A517-S519 PolarHBondContact O-N 3.46Å
518	V	42.2	Very low	40.7	Very low	42 Å²	42	103.2 Å²	103.2	26%	0.255	57%	0.57	S	S	.	*			trans	-63.6	123	172.4	-178	0	0	0	0	108.8	D516 E522 L523	D516-V518 PolarHBondContact O-N 3.43Å; V518-E522 HydrophobicContact CG1-CB 3.65Å; V518-E522 HydrophobicContact CG1-CG 3.73Å; V518-L523 HydrophobicContact CG1-CB 4.42Å; V518-L523 HydrophobicContact CG1-CD1 4.38Å
519	S	43.1	Very low	40.6	Very low	51 Å²	51	106.6 Å²	106.6	36%	0.357	57%	0.572	S	S	.	*			trans	-59.8	149.5	-180	75.6	0	0	0	0	111.2	A517 R521 E522 L523	A517-S519 PolarHBondContact O-N 3.46Å; S519-R521 PolarHBondContact O-N 3.43Å; S519-R521 VanDerWaalsContact O-N 3.11Å; S519-E522 WeakPolarHBondContact O-CA 3.26Å; S519-E522 WeakPolarHBondContact O-CB 3.42Å; S519-E522 PolarHBondContact O-N 3.41Å; S519-E522 WeakPolarHBondContact OG-CB 3.26Å; S519-E522 PolarHBondContact OG-N 2.74Å; S519-L523 PolarHBondContact O-N 3.43Å
520	P	41.6	Very low	40.6	Very low	106 Å²	106	106.3 Å²	106.3	69%	0.688	58%	0.575	S	S	*	*	H	α-helix	trans	-54.2	-34.6	178.7	-27.7	34.5	0	0	0	113.6	L523 M524	P520-L523 PolarHBondContact O-N 3.21Å; P520-M524 WeakPolarHBondContact O-CB 3.23Å; P520-M524 VanDerWaalsContact O-CG 3.25Å; P520-M524 WeakPolarHBondContact O-CG 3.02Å; P520-M524 PolarHBondContact O-N 2.78Å
521	R	42.2	Very low	40.4	Very low	223 Å²	223	107.6 Å²	107.6	84%	0.842	59%	0.59	S	S	*	*	H	α-helix	trans	-64.3	-42.1	173.3	-94.3	-175.6	173.9	167.8	-0.7	112.5	S519 M524 S525	S519-R521 PolarHBondContact O-N 3.43Å; S519-R521 VanDerWaalsContact O-N 3.11Å; R521-M524 PolarHBondContact O-N 3.2Å; R521-S525 WeakPolarHBondContact O-CB 3.16Å; R521-S525 PolarHBondContact O-N 2.81Å
522	E	48.4	Very low	40.4	Very low	81 Å²	81	110.1 Å²	110.1	38%	0.379	59%	0.594	S	S	.	*	H	α-helix	trans	-70.7	-38.5	178.7	-169.8	177.5	164.5	0	0	111.1	V518 S519 S525 R526	V518-E522 HydrophobicContact CG1-CB 3.65Å; V518-E522 HydrophobicContact CG1-CG 3.73Å; S519-E522 WeakPolarHBondContact O-CA 3.26Å; S519-E522 WeakPolarHBondContact O-CB 3.42Å; S519-E522 PolarHBondContact O-N 3.41Å; S519-E522 WeakPolarHBondContact OG-CB 3.26Å; S519-E522 PolarHBondContact OG-N 2.74Å; E522-S525 PolarHBondContact O-N 3.21Å; E522-S525 PolarHBondContact O-OG 3.08Å; E522-R526 VanDerWaalsContact O-CG 3.32Å; E522-R526 WeakPolarHBondContact O-CG 3.44Å; E522-R526 PolarHBondContact O-N 2.73Å; E522-R526 IonicContact OE1-CZ 3.88Å; E522-R526 IonicContact OE1-NE 3.05Å; E522-R526 IonicContact OE1-NH2 3.75Å; E522-R526 PolarHBondContact OE1-NH2 2.81Å
523	L	43.1	Very low	39.6	Very low	71 Å²	71	107.6 Å²	107.6	37%	0.372	59%	0.589	S	S	.	*	H	α-helix	trans	-58.7	-48.3	172.1	-156	94.4	0	0	0	111	Q17 V518 S519 P520 S525 R526 M527	Q17-L523 HydrophobicContact CG-CD1 4.45Å; V518-L523 HydrophobicContact CG1-CB 4.42Å; V518-L523 HydrophobicContact CG1-CD1 4.38Å; S519-L523 PolarHBondContact O-N 3.43Å; P520-L523 PolarHBondContact O-N 3.21Å; L523-S525 PolarHBondContact O-N 3.25Å; L523-R526 WeakPolarHBondContact O-CB 3.34Å; L523-R526 PolarHBondContact O-N 3.43Å; L523-R526 VanDerWaalsContact O-N 3.16Å; L523-M527 HydrophobicContact CD2-SD 4.33Å; L523-M527 VanDerWaalsContact O-CG 3.31Å; L523-M527 WeakPolarHBondContact O-CG 3.3Å; L523-M527 PolarHBondContact O-N 3.33Å
524	M	39.2	Very low	39.1	Very low	115 Å²	115	112 Å²	112	57%	0.567	60%	0.596	S	S	*	*	H	α-helix	trans	-60.7	-42	175.3	-72.2	-75.2	-81.1	0	0	111.9	P520 R521 R526 M527 E528	P520-M524 WeakPolarHBondContact O-CB 3.23Å; P520-M524 VanDerWaalsContact O-CG 3.25Å; P520-M524 WeakPolarHBondContact O-CG 3.02Å; P520-M524 PolarHBondContact O-N 2.78Å; R521-M524 PolarHBondContact O-N 3.2Å; M524-R526 VanDerWaalsContact C-N 3.28Å; M524-R526 PolarHBondContact O-N 3.21Å; M524-M527 PolarHBondContact O-N 3.4Å; M524-M527 VanDerWaalsContact O-N 3.17Å; M524-E528 PolarHBondContact O-N 3.12Å
525	S	47.3	Very low	38.7	Very low	62 Å²	62	115 Å²	115	43%	0.434	61%	0.607	S	S	.	*	H	α-helix	trans	-65.9	-30	176.6	80.7	0	0	0	0	113.4	R521 E522 L523	R521-S525 WeakPolarHBondContact O-CB 3.16Å; R521-S525 PolarHBondContact O-N 2.81Å; E522-S525 PolarHBondContact O-N 3.21Å; E522-S525 PolarHBondContact O-OG 3.08Å; L523-S525 PolarHBondContact O-N 3.25Å
526	R	49.7	Very low	37.9	Very low	113 Å²	113	117.9 Å²	117.9	43%	0.426	61%	0.607	S	S	.	*	H	α-helix	trans	-73.6	-36.8	173.9	-71.7	176.6	-173.8	-161.4	2.9	110.7	E522 L523 M524 K529	E522-R526 VanDerWaalsContact O-CG 3.32Å; E522-R526 WeakPolarHBondContact O-CG 3.44Å; E522-R526 PolarHBondContact O-N 2.73Å; E522-R526 IonicContact OE1-CZ 3.88Å; E522-R526 IonicContact OE1-NE 3.05Å; E522-R526 IonicContact OE1-NH2 3.75Å; E522-R526 PolarHBondContact OE1-NH2 2.81Å; L523-R526 WeakPolarHBondContact O-CB 3.34Å; L523-R526 PolarHBondContact O-N 3.43Å; L523-R526 VanDerWaalsContact O-N 3.16Å; M524-R526 VanDerWaalsContact C-N 3.28Å; M524-R526 PolarHBondContact O-N 3.21Å; R526-K529 PolarHBondContact O-N 3.37Å
527	M	40.9	Very low	37.3	Very low	109 Å²	109	119.9 Å²	119.9	54%	0.537	61%	0.609	S	S	.	*	H	α-helix	trans	-72.7	-28.4	175.9	-68	178	76.2	0	0	113.5	L523 M524 K529	L523-M527 HydrophobicContact CD2-SD 4.33Å; L523-M527 VanDerWaalsContact O-CG 3.31Å; L523-M527 WeakPolarHBondContact O-CG 3.3Å; L523-M527 PolarHBondContact O-N 3.33Å; M524-M527 PolarHBondContact O-N 3.4Å; M524-M527 VanDerWaalsContact O-N 3.17Å; M527-K529 PolarHBondContact O-N 3.05Å
528	E	42.9	Very low	36.9	Very low	155 Å²	155	122.3 Å²	122.3	72%	0.724	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-6.2	175.4	-80.6	-177.6	177	0	0	113.8	M524 T530	M524-E528 PolarHBondContact O-N 3.12Å; E528-T530 PolarHBondContact O-N 3.26Å
529	K	33	Very low	36.3	Very low	173 Å²	173	126 Å²	126	75%	0.752	66%	0.657	S	S	*	*	S	Bend	trans	-67.9	113.6	171.3	-78.2	-172.3	177.2	178.8	0	109.7	R526 M527	R526-K529 PolarHBondContact O-N 3.37Å; M527-K529 PolarHBondContact O-N 3.05Å
530	T	30.9	Very low	35.7	Very low	119 Å²	119	131.8 Å²	131.8	73%	0.73	68%	0.678	S	S	*	*			trans	-43.4	136	-177	-25.2	0	0	0	0	111.5	E528 Q532	E528-T530 PolarHBondContact O-N 3.26Å; T530-Q532 PolarHBondContact O-N 2.78Å
531	P	32.4	Very low	35.2	Very low	121 Å²	121	134 Å²	134	79%	0.786	68%	0.684	S	S	*	*			trans	-62.7	98.9	-172.5	25	-34.2	0	0	0	110.3	S533	P531-S533 PolarHBondContact O-N 3Å
532	Q	27.6	Very low	34.7	Very low	141 Å²	141	132.6 Å²	132.6	66%	0.659	69%	0.687	S	S	*	*			trans	-76.7	101.3	163.9	-73.4	-169.5	-18	0	0	106.7	T530 Y534	T530-Q532 PolarHBondContact O-N 2.78Å; Q532-Y534 VanDerWaalsContact C-N 3.34Å; Q532-Y534 HydrophobicContact CB-CD2 4.39Å; Q532-Y534 HydrophobicContact CB-CE2 3.79Å; Q532-Y534 WeakPolarHBondContact O-CD2 3.46Å; Q532-Y534 WeakPolarHBondContact O-CE2 3.49Å; Q532-Y534 PolarHBondContact O-N 2.99Å; Q532-Y534 PolarHBondContact OE1-OH 3.01Å
533	S	28.8	Very low	33.8	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	71%	0.711	S	S	*	*			trans	-62.4	93.6	169	38.6	0	0	0	0	109.2	P531 I535	P531-S533 PolarHBondContact O-N 3Å; S533-I535 PolarHBondContact O-N 2.83Å; S533-I535 VanDerWaalsContact O-N 3.17Å
534	Y	26.8	Very low	33.1	Very low	184 Å²	184	144.3 Å²	144.3	72%	0.722	74%	0.736	S	S	*	*			trans	-76.4	100.3	168.4	-62.5	-82.3	0	0	0	108.5	Q532 L536	Q532-Y534 VanDerWaalsContact C-N 3.34Å; Q532-Y534 HydrophobicContact CB-CD2 4.39Å; Q532-Y534 HydrophobicContact CB-CE2 3.79Å; Q532-Y534 WeakPolarHBondContact O-CD2 3.46Å; Q532-Y534 WeakPolarHBondContact O-CE2 3.49Å; Q532-Y534 PolarHBondContact O-N 2.99Å; Q532-Y534 PolarHBondContact OE1-OH 3.01Å; Y534-L536 PolarHBondContact O-N 3.03Å
535	I	27.7	Very low	32.7	Very low	137 Å²	137	147.2 Å²	147.2	70%	0.703	75%	0.749	S	S	*	*			trans	-72.7	113.3	160.5	-63.8	176.3	0	0	0	106.2	S533 F537	S533-I535 PolarHBondContact O-N 2.83Å; S533-I535 VanDerWaalsContact O-N 3.17Å; I535-F537 PolarHBondContact O-N 3.24Å; I535-F537 VanDerWaalsContact O-N 3.08Å
536	L	28.2	Very low	31.9	Very low	169 Å²	169	150 Å²	150	89%	0.885	77%	0.766	S	S	*	*			trans	-60	105.8	175.4	-73.5	158	0	0	0	109.4	Y534 A538	Y534-L536 PolarHBondContact O-N 3.03Å; L536-A538 PolarHBondContact O-N 3.01Å
537	F	28.6	Very low	31	Very low	192 Å²	192	151.2 Å²	151.2	84%	0.842	79%	0.785	S	S	*	*			trans	-73.6	114.4	163.5	-72.8	-82.9	0	0	0	107.9	I535 S539	I535-F537 PolarHBondContact O-N 3.24Å; I535-F537 VanDerWaalsContact O-N 3.08Å; F537-S539 PolarHBondContact O-N 2.98Å
538	A	30.3	Very low	30.4	Very low	94 Å²	94	154.5 Å²	154.5	78%	0.777	80%	0.801	S	S	*	*			trans	-57.5	120.3	166.2	0	0	0	0	0	108.2	L536 E540	L536-A538 PolarHBondContact O-N 3.01Å; A538-E540 PolarHBondContact O-N 3.01Å
539	S	30.2	Very low	29.6	Very low	119 Å²	119	155.9 Å²	155.9	83%	0.832	81%	0.808	S	S	*	*			trans	-65.4	104.8	175.7	54.6	0	0	0	0	109.4	F537	F537-S539 PolarHBondContact O-N 2.98Å
540	E	30.3	Very low	29.4	Very low	172 Å²	172	159.3 Å²	159.3	80%	0.804	82%	0.816	S	S	*	*			trans	-64.6	148.6	159.6	-69.1	-179.2	160.1	0	0	109.4	A538	A538-E540 PolarHBondContact O-N 3.01Å
541	N	30.1	Very low	29.3	Very low	153 Å²	153	162.9 Å²	162.9	82%	0.818	82%	0.821	S	S	*	*			trans	93.7	62.9	178.5	-47.7	-36.1	0	0	0	116.1
542	E	32	Very low	29.3	Very low	194 Å²	194	164.7 Å²	164.7	91%	0.907	83%	0.825	S	S	*	*			trans	-106	114.4	142.8	-79.2	-169.9	162.8	0	0	109.1
543	E	30.6	Very low	29.3	Very low	187 Å²	187	163.1 Å²	163.1	87%	0.874	83%	0.829	S	S	*	*			trans	-60.4	136	-178.6	-73.1	178.5	139.9	0	0	111.9	Q545	E543-Q545 PolarHBondContact O-N 2.88Å; E543-Q545 VanDerWaalsContact O-N 3.09Å
544	K	28.4	Very low	29.3	Very low	210 Å²	210	169.8 Å²	169.8	91%	0.913	84%	0.837	S	S	*	*			trans	-55.9	106.7	178.9	-65.5	172.9	177.2	174.5	0	111.5
545	Q	29.3	Very low	29.6	Very low	176 Å²	176	169.9 Å²	169.9	82%	0.822	84%	0.844	S	S	*	*			trans	-83.9	138.6	157	-76.4	-169	-3.5	0	0	110.4	E543 V547	E543-Q545 PolarHBondContact O-N 2.88Å; E543-Q545 VanDerWaalsContact O-N 3.09Å; Q545-V547 PolarHBondContact O-N 2.89Å
546	P	30.8	Very low	29.8	Very low	122 Å²	122	175 Å²	175	79%	0.792	86%	0.855	S	S	*	*			trans	-78.3	127.3	-165.2	30.8	-32.9	0	0	0	111.8	M548	P546-M548 PolarHBondContact O-N 2.87Å
547	V	32	Very low	29.8	Very low	138 Å²	138	175.2 Å²	175.2	84%	0.836	86%	0.856	S	S	*	*			trans	-65.2	109	177.6	177.9	0	0	0	0	109.8	Q545 E549	Q545-V547 PolarHBondContact O-N 2.89Å; V547-E549 PolarHBondContact O-N 2.86Å
548	M	26.5	Very low	30	Very low	177 Å²	177	170.5 Å²	170.5	87%	0.872	84%	0.84	S	S	*	*			trans	-72	113.2	165.1	-93.8	-173.6	-81.7	0	0	109.6	P546 R550	P546-M548 PolarHBondContact O-N 2.87Å; M548-R550 PolarHBondContact O-N 2.9Å
549	E	27.2	Very low	30.1	Very low	184 Å²	184	178.2 Å²	178.2	86%	0.86	85%	0.848	S	S	*	*			trans	-58.5	101.1	173.2	-74.3	-175.7	146.2	0	0	111.6	V547 K551	V547-E549 PolarHBondContact O-N 2.86Å; E549-K551 PolarHBondContact O-N 3.11Å
550	R	28.1	Very low	30.3	Very low	245 Å²	245	177.8 Å²	177.8	93%	0.925	85%	0.845	S	S	*	*			trans	-83.6	105.9	165.2	-84.8	-175.9	171.9	178.1	-1.3	109.6	M548 N552	M548-R550 PolarHBondContact O-N 2.9Å; R550-N552 PolarHBondContact O-N 3.47Å
551	K	30.1	Very low	30.4	Very low	194 Å²	194	176.5 Å²	176.5	84%	0.843	84%	0.844	S	S	*	*			trans	-52.4	129.8	175.7	-77.1	179.5	175.9	176.3	0	112.6	E549 S553	E549-K551 PolarHBondContact O-N 3.11Å; K551-S553 PolarHBondContact O-N 2.8Å
552	N	31.1	Very low	30.4	Very low	160 Å²	160	179 Å²	179	86%	0.856	84%	0.841	S	S	*	*			trans	-29.3	108.5	167.2	-72.6	-36.5	0	0	0	116	R550	R550-N552 PolarHBondContact O-N 3.47Å
553	S	28.5	Very low	30.3	Very low	108 Å²	108	173.1 Å²	173.1	76%	0.755	83%	0.833	S	S	*	*			trans	-150.1	67.9	159.2	67.3	0	0	0	0	111.2	K551	K551-S553 PolarHBondContact O-N 2.8Å
554	R	28	Very low	30.3	Very low	250 Å²	250	171.9 Å²	171.9	94%	0.943	83%	0.83	S	S	*	*			trans	-158.8	25.8	163.7	-111.4	165.7	-168.9	-179.9	2.7	115	R556	R554-R556 PolarHBondContact O-N 2.89Å; R554-R556 VanDerWaalsContact O-N 3.11Å
555	Q	32.7	Very low	30.1	Very low	187 Å²	187	170.7 Å²	170.7	87%	0.874	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	84.3	163.1	-78.1	-176.3	-11.6	0	0	109.8
556	R	32.5	Very low	30	Very low	244 Å²	244	170.4 Å²	170.4	92%	0.921	83%	0.829	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.6	14.9	155.6	-117.8	172	-178.2	176.2	0.3	118.9	R554	R554-R556 PolarHBondContact O-N 2.89Å; R554-R556 VanDerWaalsContact O-N 3.11Å
557	L	29.5	Very low	29.8	Very low	173 Å²	173	172.8 Å²	172.8	91%	0.906	83%	0.83	S	S	*	*	S	Bend	trans	-130.5	16.6	-176.3	-107	140.1	0	0	0	116.8
558	D	31.9	Very low	29.7	Very low	94 Å²	94	173.4 Å²	173.4	50%	0.503	83%	0.828	S	S	.	*			trans	-121.1	35.9	-175.8	-156	30.9	0	0	0	114.6	R562	D558-R562 IonicContact OD2-CZ 3.64Å; D558-R562 IonicContact OD2-NE 3.19Å; D558-R562 PolarHBondContact OD2-NE 3.05Å; D558-R562 IonicContact OD2-NH2 3.32Å; D558-R562 PolarHBondContact OD2-NH2 3.03Å
559	R	31.7	Very low	29.8	Very low	255 Å²	255	172.9 Å²	172.9	96%	0.962	83%	0.829	S	S	*	*	S	Bend	trans	-111.3	6.3	179.2	-94.6	-169.1	-178.7	-175.1	1.2	116.7
560	S	35.1	Very low	29.8	Very low	110 Å²	110	169.1 Å²	169.1	77%	0.769	82%	0.823	S	S	*	*	S	Bend	trans	-113.3	-2.9	177.1	60.3	0	0	0	0	116.1
561	L	31.3	Very low	29.9	Very low	146 Å²	146	167 Å²	167	76%	0.764	82%	0.824	S	S	*	*	S	Bend	trans	-116.5	1.4	-176.4	-76.4	166.7	0	0	0	115.9	G563	L561-G563 VanDerWaalsContact C-N 3.33Å; L561-G563 PolarHBondContact O-N 2.9Å
562	R	31	Very low	29.7	Very low	205 Å²	205	165.1 Å²	165.1	77%	0.774	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	26.2	176.9	-64.9	-167.7	-165.3	-162.2	2.7	114.9	D558	D558-R562 IonicContact OD2-CZ 3.64Å; D558-R562 IonicContact OD2-NE 3.19Å; D558-R562 PolarHBondContact OD2-NE 3.05Å; D558-R562 IonicContact OD2-NH2 3.32Å; D558-R562 PolarHBondContact OD2-NH2 3.03Å
563	G	30.5	Very low	29.5	Very low	70 Å²	70	166.8 Å²	166.8	72%	0.722	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-16.5	-179.8	0	0	0	0	0	115.6	L561	L561-G563 VanDerWaalsContact C-N 3.33Å; L561-G563 PolarHBondContact O-N 2.9Å
564	I	29	Very low	29.5	Very low	161 Å²	161	169 Å²	169	83%	0.826	83%	0.827	S	S	*	*	S	Bend	trans	-145.8	59.3	-169	-44.1	177.7	0	0	0	111
565	M	25.6	Very low	29.4	Very low	185 Å²	185	161 Å²	161	91%	0.911	81%	0.809	S	S	*	*			trans	-150.6	75	164.1	-68.2	-163.9	80.9	0	0	109.3
566	Q	27	Very low	29.3	Very low	171 Å²	171	161.4 Å²	161.4	80%	0.799	81%	0.809	S	S	*	*			trans	-127	129.2	164	-98.4	-175.9	-18.4	0	0	107.9
567	E	27.2	Very low	29.2	Very low	172 Å²	172	157 Å²	157	80%	0.804	79%	0.793	S	S	*	*			trans	75	122.5	160.7	-60.4	168.4	-172.3	0	0	114
568	D	29.5	Very low	29.1	Very low	150 Å²	150	158.3 Å²	158.3	80%	0.802	79%	0.792	S	S	*	*			cis	-156.5	139.4	28.6	-125.8	-22.5	0	0	0	110.5	S570	D568-S570 PolarHBondContact O-N 3.1Å
569	N	27.5	Very low	28.8	Very low	167 Å²	167	162.6 Å²	162.6	89%	0.893	81%	0.808	S	S	*	*			trans	-79.9	110.3	173.7	-80.1	-44.7	0	0	0	109.4
570	S	28.8	Very low	28.5	Very low	105 Å²	105	161.5 Å²	161.5	73%	0.734	82%	0.822	S	S	*	*			trans	-147.4	114.8	154.1	52	0	0	0	0	113.3	D568	D568-S570 PolarHBondContact O-N 3.1Å
571	Q	29.8	Very low	28.2	Very low	200 Å²	200	164.1 Å²	164.1	94%	0.935	82%	0.824	S	S	*	*			trans	63.6	107.9	146.2	-57.1	-163.6	-10.6	0	0	119.7
572	I	25.9	Very low	28	Very low	154 Å²	154	165.1 Å²	165.1	79%	0.79	83%	0.827	S	S	*	*			trans	-76.3	124.7	171.5	-64.2	157.2	0	0	0	108.2
573	E	26.3	Very low	27.8	Very low	195 Å²	195	162.8 Å²	162.8	91%	0.911	83%	0.83	S	S	*	*			trans	-156.7	138.2	147.2	-115.9	170.9	-156.8	0	0	111.9
574	N	27.8	Very low	27.7	Very low	154 Å²	154	168.3 Å²	168.3	82%	0.824	84%	0.837	S	S	*	*			trans	-81.1	137.3	-163.5	-67	-52.2	0	0	0	112.6
575	S	27.5	Very low	27.6	Very low	82 Å²	82	168.8 Å²	168.8	57%	0.573	84%	0.838	S	S	*	*			trans	-170.7	130	136.4	48.5	0	0	0	0	110.8
576	K	30	Very low	27.7	Very low	197 Å²	197	167.7 Å²	167.7	86%	0.857	83%	0.833	S	S	*	*			trans	-90.2	120.5	178.1	-68.7	175.9	176.1	178.9	0	108.1
577	Y	29.3	Very low	27.8	Very low	150 Å²	150	167.4 Å²	167.4	59%	0.588	84%	0.835	S	S	*	*			trans	-132.4	128.6	167.8	-78.4	-80.3	0	0	0	109.5
578	F	28.4	Very low	27.8	Very low	201 Å²	201	167.1 Å²	167.1	88%	0.882	84%	0.837	S	S	*	*			trans	-78.8	143.1	179.1	-80.5	-96.4	0	0	0	110.5
579	H	25.1	Very low	27.7	Very low	184 Å²	184	168.5 Å²	168.5	85%	0.852	84%	0.84	S	S	*	*			trans	-101.1	149.3	173.3	-88.4	-77.4	0	0	0	109.5
580	D	25.7	Very low	27.7	Very low	233 Å²	233	168.6 Å²	168.6	100%	1.246	84%	0.836	S	S	*	*			trans	-42.7	0	176.7	-60.1	-45.7	0	0	0	115.5

Retrieved 580 of 580 residues in 111 ms (Link to these results)

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