A0A061HVM6_CRIGR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A061HVM6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Hipk4, Length 616 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	62	Low	90.3	Very high	193 Å²	193	77.4 Å²	77.4	95%	0.951	42%	0.419	S	S	*	.				0	129.6	0	-69.6	176.3	-179.3	0	0	107
2	A	89.1	Confident	90.8	Very high	64 Å²	64	73.4 Å²	73.4	53%	0.529	40%	0.397	S	S	.	.			trans	-83.6	136.9	174.6	0	0	0	0	0	108.1	I13	A2-I13 HydrophobicContact CB-CB 4.47Å; A2-I13 HydrophobicContact CB-CG1 4.48Å; A2-I13 WeakPolarHBondContact O-CB 3.45Å; A2-I13 WeakPolarHBondContact O-CG1 3.4Å; A2-I13 PolarHBondContact O-N 3.33Å
3	T	92.8	Very high	91.2	Very high	74 Å²	74	69.6 Å²	69.6	45%	0.454	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.8	173.7	-54.7	0	0	0	0	108	Y11 D12	T3-Y11 CarbonylContact C-O 3.59Å; T3-Y11 VanDerWaalsContact CA-O 3.32Å; T3-Y11 WeakPolarHBondContact CA-O 3.4Å; T3-D12 WeakPolarHBondContact CG2-OD1 3.19Å; T3-D12 PolarHBondContact OG1-OD1 3.22Å
4	I	93.9	Very high	91.6	Very high	22 Å²	22	69.9 Å²	69.9	11%	0.113	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.4	171.7	61.5	178	0	0	0	108.9	Y11 I13 I39 F79 Y86	I4-Y11 HydrophobicContact CG1-CD2 4.33Å; I4-Y11 HydrophobicContact CG1-CG 4.41Å; I4-Y11 PolarHBondContact N-O 3.04Å; I4-Y11 PolarHBondContact O-N 3.49Å; I4-I13 HydrophobicContact CD1-CD1 3.91Å; I4-I13 HydrophobicContact CG1-CD1 4.27Å; I4-I39 HydrophobicContact CD1-CD1 3.92Å; I4-I39 HydrophobicContact CD1-CG2 4.01Å; I4-F79 HydrophobicContact CB-CE2 4.49Å; I4-F79 HydrophobicContact CD1-CE2 4.39Å; I4-F79 HydrophobicContact CD1-CZ 3.85Å; I4-F79 HydrophobicContact CG1-CZ 4.14Å; I4-Y86 HydrophobicContact CB-CE1 4.5Å; I4-Y86 HydrophobicContact CD1-CD1 3.53Å; I4-Y86 HydrophobicContact CD1-CE1 3.7Å; I4-Y86 HydrophobicContact CD1-CG 4.28Å; I4-Y86 HydrophobicContact CG2-CE1 4.01Å
5	Q	93.9	Very high	91.8	Very high	146 Å²	146	71.1 Å²	71.1	68%	0.682	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.2	-171.7	-176.5	170.7	7.1	0	0	109.9
6	S	93.5	Very high	92	Very high	12 Å²	12	70.9 Å²	70.9	8%	0.084	38%	0.381	C	S	.	.			trans	-102.1	177.9	166.3	67.4	0	0	0	0	109.5	T8 D9 E77	S6-T8 PolarHBondContact O-N 2.89Å; S6-T8 PolarHBondContact OG-N 3.04Å; S6-T8 PolarHBondContact OG-OG1 3.11Å; S6-T8 VanDerWaalsContact OG-OG1 3.07Å; S6-D9 PolarHBondContact N-O 2.98Å; S6-D9 PolarHBondContact OG-N 3.41Å; S6-D9 PolarHBondContact OG-O 3.21Å; S6-E77 WeakPolarHBondContact CB-OE1 3.07Å; S6-E77 PolarHBondContact OG-OE1 3.16Å
7	E	90.4	Very high	91.9	Very high	205 Å²	205	71.9 Å²	71.9	96%	0.958	39%	0.385	S	S	*	.	S	Bend	trans	-64.5	-25.1	174.3	-65.2	179.6	179.6	0	0	112.4
8	T	90.3	Very high	91.5	Very high	94 Å²	94	69.6 Å²	69.6	58%	0.577	38%	0.381	S	S	*	.	S	Bend	trans	-107.1	-20.8	-170.5	45	0	0	0	0	113	S6 E77	S6-T8 PolarHBondContact O-N 2.89Å; S6-T8 PolarHBondContact OG-N 3.04Å; S6-T8 PolarHBondContact OG-OG1 3.11Å; S6-T8 VanDerWaalsContact OG-OG1 3.07Å; T8-E77 PolarHBondContact OG1-OE2 3.43Å
9	D	94.4	Very high	91.1	Very high	12 Å²	12	74.6 Å²	74.6	6%	0.064	40%	0.399	C	S	.	.			trans	-156.8	171	-172.7	-135.9	-47.9	0	0	0	115.7	S6 Y11 R30 R31 S32	S6-D9 PolarHBondContact N-O 2.98Å; S6-D9 PolarHBondContact OG-N 3.41Å; S6-D9 PolarHBondContact OG-O 3.21Å; D9-Y11 HydrophobicContact CB-CE2 3.8Å; D9-R30 WeakPolarHBondContact OD2-CD 3.43Å; D9-R30 WeakPolarHBondContact OD2-CG 3.22Å; D9-R30 IonicContact OD2-CZ 3.92Å; D9-R30 IonicContact OD2-NE 2.72Å; D9-R30 PolarHBondContact OD2-NE 3.27Å; D9-R30 IonicContact OD2-NH2 2.89Å; D9-R30 PolarHBondContact OD2-NH2 3.04Å; D9-R31 PolarHBondContact OD1-N 3.27Å; D9-S32 PolarHBondContact OD1-N 3.42Å; D9-S32 WeakPolarHBondContact OD2-CB 3.3Å; D9-S32 PolarHBondContact OD2-OG 3.37Å
10	C	95.8	Very high	90.1	Very high	29 Å²	29	73.7 Å²	73.7	20%	0.196	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133	170.7	-74	0	0	0	0	109.8	R31	C10-R31 HydrophobicContact CB-CB 4.25Å; C10-R31 HydrophobicContact CB-CG 4.13Å; C10-R31 WeakPolarHBondContact O-CB 3.45Å; C10-R31 WeakPolarHBondContact O-CG 3.46Å; C10-R31 PolarHBondContact O-N 3.13Å
11	Y	96.8	Very high	89	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.2	179.9	-56.9	-90.9	0	0	0	111.3	T3 I4 D9 W29 R30 V37 I39 E77 F79 V88	T3-Y11 CarbonylContact C-O 3.59Å; T3-Y11 VanDerWaalsContact CA-O 3.32Å; T3-Y11 WeakPolarHBondContact CA-O 3.4Å; I4-Y11 HydrophobicContact CG1-CD2 4.33Å; I4-Y11 HydrophobicContact CG1-CG 4.41Å; I4-Y11 PolarHBondContact N-O 3.04Å; I4-Y11 PolarHBondContact O-N 3.49Å; D9-Y11 HydrophobicContact CB-CE2 3.8Å; Y11-W29 VanDerWaalsContact CA-O 3.3Å; Y11-W29 WeakPolarHBondContact CA-O 3.47Å; Y11-R30 HydrophobicContact CD1-CB 3.95Å; Y11-R30 HydrophobicContact CD1-CG 4.2Å; Y11-R30 HydrophobicContact CE1-CB 3.72Å; Y11-R30 HydrophobicContact CE1-CG 3.58Å; Y11-V37 HydrophobicContact CD1-CG2 3.74Å; Y11-V37 HydrophobicContact CE1-CG2 3.95Å; Y11-I39 HydrophobicContact CD1-CD1 3.92Å; Y11-I39 HydrophobicContact CG-CD1 3.94Å; Y11-E77 WeakPolarHBondContact CE2-OE1 3.33Å; Y11-E77 PolarHBondContact OH-OE1 2.85Å; Y11-F79 HydrophobicContact CD2-CE1 4.19Å; Y11-F79 HydrophobicContact CD2-CZ 4.03Å; Y11-F79 AromaticContact CE2-CE1 3.84Å; Y11-F79 HydrophobicContact CE2-CE1 3.84Å; Y11-F79 HydrophobicContact CE2-CZ 4.15Å; Y11-V88 HydrophobicContact CE1-CG1 3.88Å; Y11-V88 HydrophobicContact CE1-CG2 4.43Å; Y11-V88 HydrophobicContact CE2-CG2 4.46Å
12	D	96.6	Very high	89.1	Confident	30 Å²	30	69.9 Å²	69.9	16%	0.16	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.1	172.1	-65.2	-48.4	0	0	0	109.9	T3 I14 G28 W29 R31	T3-D12 WeakPolarHBondContact CG2-OD1 3.19Å; T3-D12 PolarHBondContact OG1-OD1 3.22Å; D12-I14 PolarHBondContact O-N 3.33Å; D12-G28 CarbonylContact O-C 3.54Å; D12-G28 VanDerWaalsContact O-CA 3.28Å; D12-G28 WeakPolarHBondContact O-CA 3.39Å; D12-W29 HydrophobicContact CB-CB 4.31Å; D12-W29 PolarHBondContact N-O 3.22Å; D12-W29 PolarHBondContact O-N 3.32Å; D12-R31 VanDerWaalsContact CG-NH2 3.32Å; D12-R31 IonicContact OD1-CZ 2.75Å; D12-R31 IonicContact OD1-NE 2.84Å; D12-R31 IonicContact OD1-NH2 2.77Å; D12-R31 PolarHBondContact OD1-NH2 3.3Å; D12-R31 IonicContact OD2-CZ 2.85Å; D12-R31 IonicContact OD2-NE 3.9Å; D12-R31 PolarHBondContact OD2-NE 3.29Å; D12-R31 IonicContact OD2-NH2 2.68Å; D12-R31 PolarHBondContact OD2-NH2 3.05Å; D12-R31 VanDerWaalsContact OD2-NH2 3.09Å
13	I	96.6	Very high	88.8	Confident	24 Å²	24	68.1 Å²	68.1	12%	0.123	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121	177.5	-56.3	-59	0	0	0	109.4	A2 I4 A26 I39	A2-I13 HydrophobicContact CB-CB 4.47Å; A2-I13 HydrophobicContact CB-CG1 4.48Å; A2-I13 WeakPolarHBondContact O-CB 3.45Å; A2-I13 WeakPolarHBondContact O-CG1 3.4Å; A2-I13 PolarHBondContact O-N 3.33Å; I4-I13 HydrophobicContact CD1-CD1 3.91Å; I4-I13 HydrophobicContact CG1-CD1 4.27Å; I13-A26 HydrophobicContact CD1-CB 4.36Å; I13-A26 HydrophobicContact CG2-CB 4.04Å; I13-I39 HydrophobicContact CD1-CD1 3.92Å
14	I	96.2	Very high	88.7	Confident	74 Å²	74	67.3 Å²	67.3	38%	0.379	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-57.8	-176.6	-68.8	168.1	0	0	0	110.4	D12 K27 W29 M36	D12-I14 PolarHBondContact O-N 3.33Å; I14-K27 PolarHBondContact N-O 3.2Å; I14-W29 HydrophobicContact CD1-CB 3.84Å; I14-M36 HydrophobicContact CD1-CE 3.31Å; I14-M36 HydrophobicContact CD1-SD 3.83Å
15	E	95.1	Very high	88.7	Confident	88 Å²	88	68.7 Å²	68.7	41%	0.411	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.5	-176.3	63.8	-174.7	158.1	0	0	111.8	L17 A26 K27	E15-L17 HydrophobicContact CG-CD2 4.04Å; E15-A26 CarbonylContact O-C 3.53Å; E15-A26 WeakPolarHBondContact O-CA 3.4Å; E15-K27 HydrophobicContact CG-CB 3.69Å; E15-K27 HydrophobicContact CG-CD 3.79Å; E15-K27 HydrophobicContact CG-CG 4.43Å; E15-K27 PolarHBondContact O-N 3.2Å; E15-K27 WeakPolarHBondContact OE1-CD 3.3Å; E15-K27 IonicContact OE1-NZ 3.35Å; E15-K27 PolarHBondContact OE1-NZ 3Å
16	V	94.1	Very high	88.8	Confident	68 Å²	68	61.8 Å²	61.8	41%	0.412	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.2	172.8	-179.5	0	0	0	0	108.1	K19 E24	V16-K19 HydrophobicContact CG1-CG 4.17Å; V16-E24 HydrophobicContact CB-CG 4.49Å; V16-E24 VanDerWaalsContact CG1-CD 3.5Å; V16-E24 HydrophobicContact CG1-CG 3.4Å; V16-E24 VanDerWaalsContact CG1-CG 3.4Å; V16-E24 HydrophobicContact CG2-CG 4.39Å; V16-E24 WeakPolarHBondContact CG2-OE1 3.38Å
17	L	90.6	Very high	89	Confident	87 Å²	87	63.7 Å²	63.7	46%	0.455	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-33.5	-178.6	-61.4	176.7	0	0	0	112	E15 V25 K27 L91	E15-L17 HydrophobicContact CG-CD2 4.04Å; L17-V25 HydrophobicContact CD1-CG1 4.42Å; L17-V25 PolarHBondContact N-O 3.25Å; L17-K27 HydrophobicContact CD1-CB 3.97Å; L17-K27 HydrophobicContact CD2-CB 4.01Å; L17-K27 HydrophobicContact CG-CB 3.94Å; L17-L91 HydrophobicContact CD1-CD1 3.88Å
18	G	85.5	Confident	89.3	Confident	30 Å²	30	54 Å²	54	31%	0.309	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	158.4	-178.6	0	0	0	0	0	113.4	E24 V25	G18-E24 WeakPolarHBondContact O-CA 3.41Å; G18-V25 PolarHBondContact N-O 3.05Å; G18-V25 VanDerWaalsContact N-O 3.17Å; G18-V25 PolarHBondContact O-N 3.32Å
19	K	84.1	Confident	89.7	Confident	166 Å²	166	54.7 Å²	54.7	72%	0.722	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.6	174.8	-65.6	-178.4	-176.9	-176.7	0	108.8	V16 E24	V16-K19 HydrophobicContact CG1-CG 4.17Å; K19-E24 VanDerWaalsContact CE-OE2 3.25Å; K19-E24 WeakPolarHBondContact CE-OE2 3.19Å; K19-E24 HydrophobicContact CG-CB 4.47Å; K19-E24 HydrophobicContact CG-CG 4.09Å; K19-E24 IonicContact NZ-OE2 2.64Å
20	G	70.4	Confident	89.8	Confident	55 Å²	55	56.4 Å²	56.4	57%	0.567	31%	0.306	S	S	*	.			trans	-148.6	-175.2	178.7	0	0	0	0	0	112.3	F22 G23	G20-F22 PolarHBondContact O-N 2.81Å; G20-G23 PolarHBondContact N-O 3.38Å; G20-G23 PolarHBondContact O-N 3.01Å; G20-G23 VanDerWaalsContact O-O 3.11Å
21	T	66.1	Low	89.8	Confident	105 Å²	105	61.4 Å²	61.4	64%	0.644	32%	0.321	S	S	*	.	S	Bend	trans	-57.7	-33.1	-176.9	-40.8	0	0	0	0	112.9
22	F	65.6	Low	89.7	Confident	83 Å²	83	65.2 Å²	65.2	36%	0.364	35%	0.347	S	S	.	.	S	Bend	trans	-84.9	-26.7	-176.7	-57.8	-70.6	0	0	0	113	G20 L42	G20-F22 PolarHBondContact O-N 2.81Å; F22-L42 HydrophobicContact CB-CD2 4.03Å; F22-L42 WeakPolarHBondContact O-CD2 3.41Å
23	G	82.5	Confident	89.5	Confident	27 Å²	27	67 Å²	67	28%	0.278	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-148.1	-178.6	0	0	0	0	0	112.9	G20 I41	G20-G23 PolarHBondContact N-O 3.38Å; G20-G23 PolarHBondContact O-N 3.01Å; G20-G23 VanDerWaalsContact O-O 3.11Å; G23-I41 WeakPolarHBondContact CA-O 3.45Å
24	E	91.1	Very high	89.4	Confident	57 Å²	57	67.3 Å²	67.3	27%	0.266	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.3	-177.9	-177.9	175.1	120.6	0	0	109.5	V16 G18 K19 I41	V16-E24 HydrophobicContact CB-CG 4.49Å; V16-E24 VanDerWaalsContact CG1-CD 3.5Å; V16-E24 HydrophobicContact CG1-CG 3.4Å; V16-E24 VanDerWaalsContact CG1-CG 3.4Å; V16-E24 HydrophobicContact CG2-CG 4.39Å; V16-E24 WeakPolarHBondContact CG2-OE1 3.38Å; G18-E24 WeakPolarHBondContact O-CA 3.41Å; K19-E24 VanDerWaalsContact CE-OE2 3.25Å; K19-E24 WeakPolarHBondContact CE-OE2 3.19Å; K19-E24 HydrophobicContact CG-CB 4.47Å; K19-E24 HydrophobicContact CG-CG 4.09Å; K19-E24 IonicContact NZ-OE2 2.64Å; E24-I41 PolarHBondContact N-O 3.48Å; E24-I41 PolarHBondContact O-N 3.16Å
25	V	93.9	Very high	89.4	Confident	51 Å²	51	69 Å²	69	31%	0.309	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.7	170.1	-177.4	0	0	0	0	107.8	L17 G18 A38 I39 K40	L17-V25 HydrophobicContact CD1-CG1 4.42Å; L17-V25 PolarHBondContact N-O 3.25Å; G18-V25 PolarHBondContact N-O 3.05Å; G18-V25 VanDerWaalsContact N-O 3.17Å; G18-V25 PolarHBondContact O-N 3.32Å; V25-A38 HydrophobicContact CG1-CB 4.48Å; V25-I39 WeakPolarHBondContact CA-O 3.3Å; V25-K40 HydrophobicContact CG2-CB 4.33Å; V25-K40 HydrophobicContact CG2-CG 4.25Å
26	A	96.3	Very high	89.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.6	-179.7	0	0	0	0	0	111.1	I13 E15 I39 I41	I13-A26 HydrophobicContact CD1-CB 4.36Å; I13-A26 HydrophobicContact CG2-CB 4.04Å; E15-A26 CarbonylContact O-C 3.53Å; E15-A26 WeakPolarHBondContact O-CA 3.4Å; A26-I39 PolarHBondContact N-O 3.15Å; A26-I39 PolarHBondContact O-N 2.99Å; A26-I41 HydrophobicContact CB-CD1 4.07Å
27	K	97.1	Very high	89.6	Confident	53 Å²	53	64.2 Å²	64.2	23%	0.23	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.8	168.6	-169.4	-175.7	-168.6	173.6	0	109.1	I14 E15 L17 M36 V37 L91	I14-K27 PolarHBondContact N-O 3.2Å; E15-K27 HydrophobicContact CG-CB 3.69Å; E15-K27 HydrophobicContact CG-CD 3.79Å; E15-K27 HydrophobicContact CG-CG 4.43Å; E15-K27 PolarHBondContact O-N 3.2Å; E15-K27 WeakPolarHBondContact OE1-CD 3.3Å; E15-K27 IonicContact OE1-NZ 3.35Å; E15-K27 PolarHBondContact OE1-NZ 3Å; L17-K27 HydrophobicContact CD1-CB 3.97Å; L17-K27 HydrophobicContact CD2-CB 4.01Å; L17-K27 HydrophobicContact CG-CB 3.94Å; K27-M36 HydrophobicContact CD-CE 3.57Å; K27-M36 HydrophobicContact CG-CE 3.32Å; K27-V37 WeakPolarHBondContact CA-O 3.38Å; K27-L91 HydrophobicContact CD-CD2 4.29Å; K27-L91 HydrophobicContact CG-CD1 4.28Å; K27-L91 HydrophobicContact CG-CD2 4.08Å
28	G	97.1	Very high	90	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.3	179.8	0	0	0	0	0	112.8	D12 M36 V37	D12-G28 CarbonylContact O-C 3.54Å; D12-G28 VanDerWaalsContact O-CA 3.28Å; D12-G28 WeakPolarHBondContact O-CA 3.39Å; G28-M36 WeakPolarHBondContact O-CA 3.25Å; G28-V37 PolarHBondContact N-O 2.58Å; G28-V37 WeakPolarHBondContact O-CG2 3.47Å; G28-V37 PolarHBondContact O-N 2.93Å
29	W	97.4	Very high	90.5	Very high	110 Å²	110	59.3 Å²	59.3	42%	0.417	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.6	167.5	-179.2	-82.7	0	0	0	109.5	Y11 D12 I14 G34 M36	Y11-W29 VanDerWaalsContact CA-O 3.3Å; Y11-W29 WeakPolarHBondContact CA-O 3.47Å; D12-W29 HydrophobicContact CB-CB 4.31Å; D12-W29 PolarHBondContact N-O 3.22Å; D12-W29 PolarHBondContact O-N 3.32Å; I14-W29 HydrophobicContact CD1-CB 3.84Å; W29-G34 WeakPolarHBondContact CH2-O 3.47Å; W29-G34 VanDerWaalsContact CZ2-CA 3.44Å; W29-G34 WeakPolarHBondContact CZ2-O 3.28Å; W29-M36 HydrophobicContact CD2-SD 4.35Å; W29-M36 HydrophobicContact CE3-CG 4.47Å; W29-M36 HydrophobicContact CE3-SD 3.34Å; W29-M36 HydrophobicContact CZ3-SD 3.85Å
30	R	96.9	Very high	91	Very high	47 Å²	47	52.5 Å²	52.5	18%	0.177	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	115	176.7	-176.2	174.5	-177.1	-167.6	1.4	109.7	D9 Y11 T33 G34 E35 V37	D9-R30 WeakPolarHBondContact OD2-CD 3.43Å; D9-R30 WeakPolarHBondContact OD2-CG 3.22Å; D9-R30 IonicContact OD2-CZ 3.92Å; D9-R30 IonicContact OD2-NE 2.72Å; D9-R30 PolarHBondContact OD2-NE 3.27Å; D9-R30 IonicContact OD2-NH2 2.89Å; D9-R30 PolarHBondContact OD2-NH2 3.04Å; Y11-R30 HydrophobicContact CD1-CB 3.95Å; Y11-R30 HydrophobicContact CD1-CG 4.2Å; Y11-R30 HydrophobicContact CE1-CB 3.72Å; Y11-R30 HydrophobicContact CE1-CG 3.58Å; R30-T33 WeakPolarHBondContact CD-OG1 3.47Å; R30-G34 WeakPolarHBondContact O-CA 3.15Å; R30-G34 PolarHBondContact O-N 3.45Å; R30-E35 WeakPolarHBondContact CB-O 3.3Å; R30-E35 PolarHBondContact N-O 3.32Å; R30-V37 HydrophobicContact CB-CG1 4.19Å
31	R	95.3	Very high	92	Very high	135 Å²	135	50.6 Å²	50.6	51%	0.509	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-37.2	-169.7	-72.8	-168.9	-175.9	176.8	3.1	114	D9 C10 D12 T33	D9-R31 PolarHBondContact OD1-N 3.27Å; C10-R31 HydrophobicContact CB-CB 4.25Å; C10-R31 HydrophobicContact CB-CG 4.13Å; C10-R31 WeakPolarHBondContact O-CB 3.45Å; C10-R31 WeakPolarHBondContact O-CG 3.46Å; C10-R31 PolarHBondContact O-N 3.13Å; D12-R31 VanDerWaalsContact CG-NH2 3.32Å; D12-R31 IonicContact OD1-CZ 2.75Å; D12-R31 IonicContact OD1-NE 2.84Å; D12-R31 IonicContact OD1-NH2 2.77Å; D12-R31 PolarHBondContact OD1-NH2 3.3Å; D12-R31 IonicContact OD2-CZ 2.85Å; D12-R31 IonicContact OD2-NE 3.9Å; D12-R31 PolarHBondContact OD2-NE 3.29Å; D12-R31 IonicContact OD2-NH2 2.68Å; D12-R31 PolarHBondContact OD2-NH2 3.05Å; D12-R31 VanDerWaalsContact OD2-NH2 3.09Å; R31-T33 VanDerWaalsContact C-N 3.33Å; R31-T33 PolarHBondContact O-N 2.91Å
32	S	94.4	Very high	93.1	Very high	79 Å²	79	45.8 Å²	45.8	55%	0.552	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-35.8	-176.8	74.5	0	0	0	0	113	D9	D9-S32 PolarHBondContact OD1-N 3.42Å; D9-S32 WeakPolarHBondContact OD2-CB 3.3Å; D9-S32 PolarHBondContact OD2-OG 3.37Å
33	T	94.3	Very high	94	Very high	67 Å²	67	48.2 Å²	48.2	41%	0.411	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-20.8	-176.5	61	0	0	0	0	113.5	R30 R31 E35	R30-T33 WeakPolarHBondContact CD-OG1 3.47Å; R31-T33 VanDerWaalsContact C-N 3.33Å; R31-T33 PolarHBondContact O-N 2.91Å; T33-E35 PolarHBondContact O-N 2.76Å; T33-E35 WeakPolarHBondContact OG1-CB 3.49Å; T33-E35 PolarHBondContact OG1-N 3Å; T33-E35 PolarHBondContact OG1-OE2 3.07Å
34	G	94.3	Very high	93.8	Very high	31 Å²	31	49.7 Å²	49.7	32%	0.32	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	15.4	-170	0	0	0	0	0	113.5	W29 R30	W29-G34 WeakPolarHBondContact CH2-O 3.47Å; W29-G34 VanDerWaalsContact CZ2-CA 3.44Å; W29-G34 WeakPolarHBondContact CZ2-O 3.28Å; R30-G34 WeakPolarHBondContact O-CA 3.15Å; R30-G34 PolarHBondContact O-N 3.45Å
35	E	95.1	Very high	93.2	Very high	109 Å²	109	49.3 Å²	49.3	51%	0.509	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.8	-178.9	-67.5	178.5	150.6	0	0	112.1	R30 T33	R30-E35 WeakPolarHBondContact CB-O 3.3Å; R30-E35 PolarHBondContact N-O 3.32Å; T33-E35 PolarHBondContact O-N 2.76Å; T33-E35 WeakPolarHBondContact OG1-CB 3.49Å; T33-E35 PolarHBondContact OG1-N 3Å; T33-E35 PolarHBondContact OG1-OE2 3.07Å
36	M	97.3	Very high	92.1	Very high	56 Å²	56	51.2 Å²	51.2	28%	0.276	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	136.6	169.3	-65.2	-57.6	-52.3	0	0	110.6	I14 K27 G28 W29 L91	I14-M36 HydrophobicContact CD1-CE 3.31Å; I14-M36 HydrophobicContact CD1-SD 3.83Å; K27-M36 HydrophobicContact CD-CE 3.57Å; K27-M36 HydrophobicContact CG-CE 3.32Å; G28-M36 WeakPolarHBondContact O-CA 3.25Å; W29-M36 HydrophobicContact CD2-SD 4.35Å; W29-M36 HydrophobicContact CE3-CG 4.47Å; W29-M36 HydrophobicContact CE3-SD 3.34Å; W29-M36 HydrophobicContact CZ3-SD 3.85Å; M36-L91 HydrophobicContact CB-CB 4.4Å; M36-L91 HydrophobicContact CB-CD2 3.65Å; M36-L91 HydrophobicContact CG-CD2 4.5Å
37	V	97.6	Very high	90.7	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.8	-178.8	-64.4	0	0	0	0	112	Y11 K27 G28 R30 I39 L76 V88 F89	Y11-V37 HydrophobicContact CD1-CG2 3.74Å; Y11-V37 HydrophobicContact CE1-CG2 3.95Å; K27-V37 WeakPolarHBondContact CA-O 3.38Å; G28-V37 PolarHBondContact N-O 2.58Å; G28-V37 WeakPolarHBondContact O-CG2 3.47Å; G28-V37 PolarHBondContact O-N 2.93Å; R30-V37 HydrophobicContact CB-CG1 4.19Å; V37-I39 HydrophobicContact CG2-CD1 3.95Å; V37-I39 HydrophobicContact CG2-CG1 3.84Å; V37-L76 HydrophobicContact CG1-CD1 3.74Å; V37-V88 HydrophobicContact CB-CG1 3.89Å; V37-V88 HydrophobicContact CG1-CG1 4.12Å; V37-V88 HydrophobicContact CG2-CG1 3.99Å; V37-F89 WeakPolarHBondContact CB-O 3.33Å
38	A	97.8	Very high	89.4	Confident	13 Å²	13	58.1 Å²	58.1	11%	0.107	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133	166.1	0	0	0	0	0	109.6	V25 F89 L91	V25-A38 HydrophobicContact CG1-CB 4.48Å; A38-F89 HydrophobicContact CB-CB 4.49Å; A38-F89 PolarHBondContact N-O 3.11Å; A38-F89 PolarHBondContact O-N 3.19Å; A38-L91 HydrophobicContact CB-CD1 4.09Å
39	I	96.4	Very high	88.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	109.2	-175.7	-49.2	-175.8	0	0	0	108.6	I4 Y11 I13 V25 A26 V37 I41 Y86 L87 V88	I4-I39 HydrophobicContact CD1-CD1 3.92Å; I4-I39 HydrophobicContact CD1-CG2 4.01Å; Y11-I39 HydrophobicContact CD1-CD1 3.92Å; Y11-I39 HydrophobicContact CG-CD1 3.94Å; I13-I39 HydrophobicContact CD1-CD1 3.92Å; V25-I39 WeakPolarHBondContact CA-O 3.3Å; A26-I39 PolarHBondContact N-O 3.15Å; A26-I39 PolarHBondContact O-N 2.99Å; V37-I39 HydrophobicContact CG2-CD1 3.95Å; V37-I39 HydrophobicContact CG2-CG1 3.84Å; I39-I41 HydrophobicContact CG2-CG1 4.06Å; I39-Y86 HydrophobicContact CG2-CD1 4.09Å; I39-L87 CarbonylContact C-O 3.58Å; I39-L87 WeakPolarHBondContact CA-O 3Å; I39-V88 HydrophobicContact CG1-CG1 4.48Å
40	K	94.1	Very high	87.3	Confident	23 Å²	23	62.7 Å²	62.7	10%	0.1	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	114.1	173.2	-173.5	174.8	-178.9	-179.4	0	108.3	V25 L42 E55 Y86 L87 F89 D158	V25-K40 HydrophobicContact CG2-CB 4.33Å; V25-K40 HydrophobicContact CG2-CG 4.25Å; K40-L42 HydrophobicContact CD-CD2 4.47Å; K40-L42 HydrophobicContact CG-CD1 4.5Å; K40-L42 HydrophobicContact CG-CD2 3.98Å; K40-L42 HydrophobicContact CG-CG 4.22Å; K40-E55 IonicContact NZ-OE1 2.85Å; K40-E55 PolarHBondContact NZ-OE1 3.28Å; K40-E55 IonicContact NZ-OE2 3.92Å; K40-E55 PolarHBondContact NZ-OE2 2.82Å; K40-Y86 WeakPolarHBondContact O-CA 3.39Å; K40-L87 HydrophobicContact CB-CB 4.28Å; K40-L87 PolarHBondContact N-O 3.18Å; K40-L87 PolarHBondContact O-N 2.95Å; K40-F89 HydrophobicContact CB-CE2 4.01Å; K40-D158 IonicContact NZ-OD1 2.7Å; K40-D158 PolarHBondContact NZ-OD1 3.36Å
41	I	92.4	Very high	86.4	Confident	16 Å²	16	62 Å²	62	8%	0.082	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.8	-174.9	-52.4	175.8	0	0	0	108.6	G23 E24 A26 I39 K84 F85 Y86	G23-I41 WeakPolarHBondContact CA-O 3.45Å; E24-I41 PolarHBondContact N-O 3.48Å; E24-I41 PolarHBondContact O-N 3.16Å; A26-I41 HydrophobicContact CB-CD1 4.07Å; I39-I41 HydrophobicContact CG2-CG1 4.06Å; I41-K84 HydrophobicContact CG2-CB 4.32Å; I41-K84 HydrophobicContact CG2-CD 3.63Å; I41-K84 HydrophobicContact CG2-CG 4.16Å; I41-F85 WeakPolarHBondContact CA-O 3.36Å; I41-Y86 HydrophobicContact CB-CD1 4.48Å; I41-Y86 HydrophobicContact CB-CE1 4.49Å; I41-Y86 HydrophobicContact CD1-CE1 4.35Å; I41-Y86 HydrophobicContact CG1-CD1 3.95Å; I41-Y86 HydrophobicContact CG1-CE1 4.06Å; I41-Y86 HydrophobicContact CG2-CD1 4.21Å; I41-Y86 HydrophobicContact CG2-CE1 3.82Å
42	L	89	Confident	85.7	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145	-175.4	-52.2	168.3	0	0	0	109.2	F22 K40 I52 K84 F85 L87	F22-L42 HydrophobicContact CB-CD2 4.03Å; F22-L42 WeakPolarHBondContact O-CD2 3.41Å; K40-L42 HydrophobicContact CD-CD2 4.47Å; K40-L42 HydrophobicContact CG-CD1 4.5Å; K40-L42 HydrophobicContact CG-CD2 3.98Å; K40-L42 HydrophobicContact CG-CG 4.22Å; L42-I52 HydrophobicContact CB-CD1 3.77Å; L42-I52 HydrophobicContact CB-CG1 4.48Å; L42-I52 HydrophobicContact CD1-CD1 3.86Å; L42-I52 HydrophobicContact CD1-CG1 3.67Å; L42-I52 HydrophobicContact CG-CD1 4.44Å; L42-K84 CarbonylContact O-C 3.58Å; L42-K84 WeakPolarHBondContact O-CA 3.5Å; L42-F85 HydrophobicContact CB-CB 4.23Å; L42-F85 PolarHBondContact N-O 3.39Å; L42-F85 PolarHBondContact O-N 3.05Å; L42-L87 HydrophobicContact CD1-CD1 3.78Å
43	K	85	Confident	85.4	Confident	133 Å²	133	59.3 Å²	59.3	58%	0.578	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.1	176.5	-68.2	-175.9	-179.5	-179.9	0	110.3	D45	K43-D45 PolarHBondContact O-N 2.78Å; K43-D45 VanDerWaalsContact O-N 3.15Å
44	N	78.2	Confident	85	Confident	58 Å²	58	57.6 Å²	57.6	31%	0.31	29%	0.285	S	S	.	.			trans	-81.1	87.9	172.6	-170.4	-1	0	0	0	109.4	D81 L83 F85	N44-D81 PolarHBondContact ND2-O 2.7Å; N44-L83 VanDerWaalsContact CB-O 3.26Å; N44-L83 WeakPolarHBondContact CB-O 3.13Å; N44-L83 PolarHBondContact N-O 3.07Å; N44-F85 HydrophobicContact CB-CD2 3.97Å; N44-F85 HydrophobicContact CB-CE2 3.77Å; N44-F85 HydrophobicContact CB-CZ 4.42Å; N44-F85 VanDerWaalsContact CG-CE2 3.48Å; N44-F85 WeakPolarHBondContact OD1-CE2 3.05Å; N44-F85 WeakPolarHBondContact OD1-CZ 3.47Å
45	D	78.1	Confident	84.8	Confident	49 Å²	49	56.4 Å²	56.4	26%	0.262	27%	0.271	S	S	.	.			trans	-126.9	154.6	167.4	66.5	54.1	0	0	0	110.9	K43 Y47 R48 S49	K43-D45 PolarHBondContact O-N 2.78Å; K43-D45 VanDerWaalsContact O-N 3.15Å; D45-Y47 PolarHBondContact O-N 2.84Å; D45-Y47 VanDerWaalsContact O-N 3.13Å; D45-Y47 WeakPolarHBondContact OD1-CB 3.21Å; D45-Y47 PolarHBondContact OD1-N 3.35Å; D45-R48 PolarHBondContact O-N 2.9Å; D45-R48 VanDerWaalsContact OD1-CB 3.3Å; D45-R48 WeakPolarHBondContact OD1-CB 3.4Å; D45-R48 VanDerWaalsContact OD1-CG 3.28Å; D45-R48 WeakPolarHBondContact OD1-CG 3.48Å; D45-R48 PolarHBondContact OD1-N 2.89Å; D45-R48 WeakPolarHBondContact OD2-CD 3.46Å; D45-R48 IonicContact OD2-CZ 3.35Å; D45-R48 IonicContact OD2-NE 2.86Å; D45-R48 IonicContact OD2-NH1 3.12Å; D45-R48 PolarHBondContact OD2-NH1 3.12Å; D45-S49 PolarHBondContact O-N 3.07Å; D45-S49 PolarHBondContact O-OG 3.12Å
46	A	69.4	Low	84.6	Confident	92 Å²	92	51.8 Å²	51.8	76%	0.76	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27	-173.8	0	0	0	0	0	112.9
47	Y	67.9	Low	84.5	Confident	125 Å²	125	52.6 Å²	52.6	49%	0.49	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-49.1	178	174.8	-97.8	0	0	0	111.6	D45 S49 I51 F502	D45-Y47 PolarHBondContact O-N 2.84Å; D45-Y47 VanDerWaalsContact O-N 3.13Å; D45-Y47 WeakPolarHBondContact OD1-CB 3.21Å; D45-Y47 PolarHBondContact OD1-N 3.35Å; Y47-S49 VanDerWaalsContact C-N 3.28Å; Y47-S49 PolarHBondContact O-N 2.97Å; Y47-I51 HydrophobicContact CE1-CD1 4.3Å; Y47-F502 WeakPolarHBondContact OH-CB 3.42Å
48	R	69.3	Low	84.3	Confident	73 Å²	73	52.5 Å²	52.5	28%	0.275	25%	0.251	S	S	.	.	H	α-helix	trans	-69.7	-24.1	179.7	-71.7	-179.9	171.3	111.3	1	113	D45 R50 I51 I52	D45-R48 PolarHBondContact O-N 2.9Å; D45-R48 VanDerWaalsContact OD1-CB 3.3Å; D45-R48 WeakPolarHBondContact OD1-CB 3.4Å; D45-R48 VanDerWaalsContact OD1-CG 3.28Å; D45-R48 WeakPolarHBondContact OD1-CG 3.48Å; D45-R48 PolarHBondContact OD1-N 2.89Å; D45-R48 WeakPolarHBondContact OD2-CD 3.46Å; D45-R48 IonicContact OD2-CZ 3.35Å; D45-R48 IonicContact OD2-NE 2.86Å; D45-R48 IonicContact OD2-NH1 3.12Å; D45-R48 PolarHBondContact OD2-NH1 3.12Å; R48-R50 PolarHBondContact O-N 3.38Å; R48-R50 VanDerWaalsContact O-N 3.16Å; R48-I51 PolarHBondContact O-N 3.47Å; R48-I51 VanDerWaalsContact O-N 3.08Å; R48-I52 HydrophobicContact CB-CD1 4.23Å; R48-I52 VanDerWaalsContact O-CG1 3.29Å; R48-I52 WeakPolarHBondContact O-CG1 3.25Å; R48-I52 PolarHBondContact O-N 3.45Å
49	S	74.3	Confident	84.1	Confident	26 Å²	26	52 Å²	52	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-53.8	-36.7	179.7	-66.5	0	0	0	0	113.4	D45 Y47 K53	D45-S49 PolarHBondContact O-N 3.07Å; D45-S49 PolarHBondContact O-OG 3.12Å; Y47-S49 VanDerWaalsContact C-N 3.28Å; Y47-S49 PolarHBondContact O-N 2.97Å; S49-K53 WeakPolarHBondContact O-CB 3.4Å; S49-K53 WeakPolarHBondContact O-CG 3.16Å; S49-K53 PolarHBondContact O-N 2.72Å
50	R	77.3	Confident	84	Confident	180 Å²	180	59.9 Å²	59.9	68%	0.679	28%	0.276	S	S	*	.	H	α-helix	trans	-70.2	-42.5	177.2	-68.9	-177.2	-178.9	-175.3	-1	112.8	R48 I52 K53 N54	R48-R50 PolarHBondContact O-N 3.38Å; R48-R50 VanDerWaalsContact O-N 3.16Å; R50-I52 VanDerWaalsContact C-N 3.31Å; R50-I52 PolarHBondContact O-N 3.29Å; R50-K53 PolarHBondContact O-N 3.47Å; R50-N54 PolarHBondContact O-N 2.96Å
51	I	76.4	Confident	83.9	Confident	31 Å²	31	61.2 Å²	61.2	16%	0.159	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-44.5	178.2	-61.4	173.1	0	0	0	109.5	Y47 R48 N54 E55	Y47-I51 HydrophobicContact CE1-CD1 4.3Å; R48-I51 PolarHBondContact O-N 3.47Å; R48-I51 VanDerWaalsContact O-N 3.08Å; I51-N54 PolarHBondContact O-N 3.13Å; I51-E55 PolarHBondContact O-N 2.82Å
52	I	82.4	Confident	83.9	Confident	6 Å²	6	60.8 Å²	60.8	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-43.7	178.8	-64	171.7	0	0	0	111	L42 R48 R50 N54 E55 L56 F78 F85	L42-I52 HydrophobicContact CB-CD1 3.77Å; L42-I52 HydrophobicContact CB-CG1 4.48Å; L42-I52 HydrophobicContact CD1-CD1 3.86Å; L42-I52 HydrophobicContact CD1-CG1 3.67Å; L42-I52 HydrophobicContact CG-CD1 4.44Å; R48-I52 HydrophobicContact CB-CD1 4.23Å; R48-I52 VanDerWaalsContact O-CG1 3.29Å; R48-I52 WeakPolarHBondContact O-CG1 3.25Å; R48-I52 PolarHBondContact O-N 3.45Å; R50-I52 VanDerWaalsContact C-N 3.31Å; R50-I52 PolarHBondContact O-N 3.29Å; I52-N54 VanDerWaalsContact C-N 3.3Å; I52-N54 PolarHBondContact O-N 3.47Å; I52-E55 PolarHBondContact O-N 3.04Å; I52-L56 HydrophobicContact CG2-CD1 3.87Å; I52-L56 HydrophobicContact CG2-CG 4.28Å; I52-L56 WeakPolarHBondContact O-CB 3.41Å; I52-L56 VanDerWaalsContact O-CG 3.24Å; I52-L56 WeakPolarHBondContact O-CG 3.11Å; I52-L56 PolarHBondContact O-N 3.38Å; I52-F78 HydrophobicContact CG2-CE2 4.2Å; I52-F85 HydrophobicContact CD1-CB 4.02Å; I52-F85 HydrophobicContact CD1-CD2 3.22Å; I52-F85 HydrophobicContact CD1-CE2 3.82Å; I52-F85 HydrophobicContact CD1-CG 3.79Å; I52-F85 HydrophobicContact CG2-CB 4.45Å; I52-F85 HydrophobicContact CG2-CD1 4.46Å; I52-F85 HydrophobicContact CG2-CG 4.26Å
53	K	86.4	Confident	84	Confident	153 Å²	153	68.8 Å²	68.8	67%	0.665	32%	0.316	S	S	*	.	H	α-helix	trans	-59.9	-41.3	175.2	-77.9	178.3	-179.6	-166.1	0	112	S49 R50 K57	S49-K53 WeakPolarHBondContact O-CB 3.4Å; S49-K53 WeakPolarHBondContact O-CG 3.16Å; S49-K53 PolarHBondContact O-N 2.72Å; R50-K53 PolarHBondContact O-N 3.47Å; K53-K57 WeakPolarHBondContact O-CB 3.23Å; K53-K57 PolarHBondContact O-N 2.48Å
54	N	86.1	Confident	84.1	Confident	31 Å²	31	66 Å²	66	17%	0.166	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-53.5	174.3	-172.5	65.3	0	0	0	110.6	R50 I51 I52 L56 K57 L58 A162	R50-N54 PolarHBondContact O-N 2.96Å; I51-N54 PolarHBondContact O-N 3.13Å; I52-N54 VanDerWaalsContact C-N 3.3Å; I52-N54 PolarHBondContact O-N 3.47Å; N54-L56 VanDerWaalsContact C-N 3.3Å; N54-L56 PolarHBondContact O-N 3.23Å; N54-K57 WeakPolarHBondContact O-CA 3.33Å; N54-K57 VanDerWaalsContact O-CB 3.3Å; N54-K57 WeakPolarHBondContact O-CB 3.39Å; N54-K57 PolarHBondContact O-N 2.67Å; N54-L58 WeakPolarHBondContact O-CD2 3.4Å; N54-L58 PolarHBondContact O-N 3.02Å; N54-L58 WeakPolarHBondContact OD1-CD2 2.95Å; N54-A162 PolarHBondContact ND2-O 3.45Å
55	E	90.5	Very high	84.8	Confident	5 Å²	5	64.7 Å²	64.7	2%	0.023	32%	0.318	C	S	.	.	H	α-helix	trans	-55.1	-44.5	178.6	-173.9	172.4	-177.1	0	0	111.8	K40 I51 I52 K57 L58 L59 L87	K40-E55 IonicContact NZ-OE1 2.85Å; K40-E55 PolarHBondContact NZ-OE1 3.28Å; K40-E55 IonicContact NZ-OE2 3.92Å; K40-E55 PolarHBondContact NZ-OE2 2.82Å; I51-E55 PolarHBondContact O-N 2.82Å; I52-E55 PolarHBondContact O-N 3.04Å; E55-K57 PolarHBondContact O-N 3.38Å; E55-L58 PolarHBondContact O-N 2.75Å; E55-L59 HydrophobicContact CG-CD1 3.94Å; E55-L59 HydrophobicContact CG-CG 4.31Å; E55-L59 WeakPolarHBondContact O-CB 3.24Å; E55-L59 VanDerWaalsContact O-CG 3.25Å; E55-L59 WeakPolarHBondContact O-CG 3.39Å; E55-L59 PolarHBondContact O-N 2.83Å; E55-L87 HydrophobicContact CG-CD2 4.28Å
56	L	91.6	Very high	85.5	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.063	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-38.9	175.7	-71.7	170.9	0	0	0	113.1	I52 N54 L59 R60 F75 F78 L87	I52-L56 HydrophobicContact CG2-CD1 3.87Å; I52-L56 HydrophobicContact CG2-CG 4.28Å; I52-L56 WeakPolarHBondContact O-CB 3.41Å; I52-L56 VanDerWaalsContact O-CG 3.24Å; I52-L56 WeakPolarHBondContact O-CG 3.11Å; I52-L56 PolarHBondContact O-N 3.38Å; N54-L56 VanDerWaalsContact C-N 3.3Å; N54-L56 PolarHBondContact O-N 3.23Å; L56-L59 PolarHBondContact O-N 3.48Å; L56-R60 WeakPolarHBondContact O-CB 3.41Å; L56-R60 WeakPolarHBondContact O-CG 3.31Å; L56-R60 PolarHBondContact O-N 2.87Å; L56-F75 HydrophobicContact CD2-CZ 3.92Å; L56-F78 HydrophobicContact CD1-CD1 3.95Å; L56-F78 HydrophobicContact CD1-CD2 3.75Å; L56-F78 HydrophobicContact CD1-CE1 3.79Å; L56-F78 HydrophobicContact CD1-CE2 3.56Å; L56-F78 HydrophobicContact CD1-CG 3.91Å; L56-F78 HydrophobicContact CD1-CZ 3.57Å; L56-F78 HydrophobicContact CD2-CB 3.62Å; L56-F78 HydrophobicContact CD2-CD1 4.26Å; L56-F78 HydrophobicContact CD2-CD2 3.61Å; L56-F78 HydrophobicContact CD2-CE2 4.28Å; L56-F78 HydrophobicContact CD2-CG 3.57Å; L56-F78 HydrophobicContact CG-CD2 4.23Å; L56-F78 HydrophobicContact CG-CE2 4.42Å; L56-F78 HydrophobicContact CG-CG 4.4Å; L56-L87 HydrophobicContact CD2-CD2 4.17Å; L56-L87 HydrophobicContact CD2-CG 4.13Å
57	K	93.4	Very high	86.6	Confident	73 Å²	73	61.8 Å²	61.8	32%	0.317	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-48.9	174.1	177.1	-172.3	176.3	-173.3	0	110.1	K53 N54 E55 R60 C61 E167	K53-K57 WeakPolarHBondContact O-CB 3.23Å; K53-K57 PolarHBondContact O-N 2.48Å; N54-K57 WeakPolarHBondContact O-CA 3.33Å; N54-K57 VanDerWaalsContact O-CB 3.3Å; N54-K57 WeakPolarHBondContact O-CB 3.39Å; N54-K57 PolarHBondContact O-N 2.67Å; E55-K57 PolarHBondContact O-N 3.38Å; K57-R60 PolarHBondContact O-N 3.42Å; K57-C61 PolarHBondContact O-N 2.91Å; K57-C61 PolarHBondContact O-SG 2.88Å; K57-E167 IonicContact NZ-OE1 2.76Å; K57-E167 PolarHBondContact NZ-OE1 2.87Å; K57-E167 IonicContact NZ-OE2 2.64Å; K57-E167 PolarHBondContact NZ-OE2 2.91Å
58	L	94.5	Very high	87.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-43.5	178.8	-77.2	-50.4	0	0	0	111.8	N54 E55 R60 C61 V62 I132 F159 A162 I164	N54-L58 WeakPolarHBondContact O-CD2 3.4Å; N54-L58 PolarHBondContact O-N 3.02Å; N54-L58 WeakPolarHBondContact OD1-CD2 2.95Å; E55-L58 PolarHBondContact O-N 2.75Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 2.51Å; L58-C61 WeakPolarHBondContact O-CB 3.34Å; L58-C61 PolarHBondContact O-N 3.39Å; L58-C61 VanDerWaalsContact O-N 3.13Å; L58-V62 PolarHBondContact O-N 2.84Å; L58-I132 HydrophobicContact CD1-CD1 4.08Å; L58-I132 HydrophobicContact CD1-CG1 3.99Å; L58-I132 HydrophobicContact CD1-CG2 4.19Å; L58-F159 HydrophobicContact CB-CB 4.32Å; L58-A162 HydrophobicContact CG-CB 4.05Å; L58-I164 HydrophobicContact CD1-CG1 3.87Å
59	L	93.9	Very high	88.8	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-36.4	176.1	-71.8	174	0	0	0	112.2	E55 L56 V62 R63 F75 L87 F89 F159	E55-L59 HydrophobicContact CG-CD1 3.94Å; E55-L59 HydrophobicContact CG-CG 4.31Å; E55-L59 WeakPolarHBondContact O-CB 3.24Å; E55-L59 VanDerWaalsContact O-CG 3.25Å; E55-L59 WeakPolarHBondContact O-CG 3.39Å; E55-L59 PolarHBondContact O-N 2.83Å; L56-L59 PolarHBondContact O-N 3.48Å; L59-V62 HydrophobicContact CD2-CG2 4.49Å; L59-V62 WeakPolarHBondContact O-CG2 3.28Å; L59-R63 WeakPolarHBondContact O-CB 3.38Å; L59-R63 PolarHBondContact O-N 3.25Å; L59-F75 HydrophobicContact CB-CB 4.47Å; L59-F75 HydrophobicContact CB-CD1 4.02Å; L59-F75 HydrophobicContact CB-CE1 4.38Å; L59-F75 HydrophobicContact CB-CG 4.1Å; L59-F75 HydrophobicContact CD1-CD2 3.88Å; L59-F75 HydrophobicContact CD1-CE2 4.05Å; L59-F75 HydrophobicContact CD1-CG 4.23Å; L59-F75 HydrophobicContact CD2-CB 4.29Å; L59-L87 HydrophobicContact CD1-CD2 3.66Å; L59-F89 HydrophobicContact CD1-CE1 3.89Å; L59-F89 HydrophobicContact CD1-CZ 3.8Å; L59-F89 HydrophobicContact CD2-CE1 3.87Å; L59-F89 HydrophobicContact CD2-CZ 4.49Å; L59-F159 HydrophobicContact CD2-CB 4.22Å; L59-F159 HydrophobicContact CD2-CD2 3.92Å; L59-F159 HydrophobicContact CD2-CG 4.24Å
60	R	92.8	Very high	89.8	Confident	166 Å²	166	57 Å²	57	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-67.6	-40	173.3	-74.9	169.6	-179.4	-179	-0.3	112.2	L56 K57 L58 R63	L56-R60 WeakPolarHBondContact O-CB 3.41Å; L56-R60 WeakPolarHBondContact O-CG 3.31Å; L56-R60 PolarHBondContact O-N 2.87Å; K57-R60 PolarHBondContact O-N 3.42Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 2.51Å; R60-R63 WeakPolarHBondContact O-CB 3.34Å; R60-R63 PolarHBondContact O-N 3.1Å
61	C	92.4	Very high	90.8	Very high	51 Å²	51	48.6 Å²	48.6	35%	0.345	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-44.1	175.2	-65.7	0	0	0	0	111.6	K57 L58 R63 I132	K57-C61 PolarHBondContact O-N 2.91Å; K57-C61 PolarHBondContact O-SG 2.88Å; L58-C61 WeakPolarHBondContact O-CB 3.34Å; L58-C61 PolarHBondContact O-N 3.39Å; L58-C61 VanDerWaalsContact O-N 3.13Å; C61-R63 VanDerWaalsContact C-N 3.34Å; C61-I132 HydrophobicContact CB-CD1 3.94Å
62	V	93.5	Very high	91.8	Very high	8 Å²	8	47.2 Å²	47.2	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-79.1	-15.5	179.8	-57.6	0	0	0	0	113.5	L58 L59 G64 L65 V72 L127 L130 I132 F159	L58-V62 PolarHBondContact O-N 2.84Å; L59-V62 HydrophobicContact CD2-CG2 4.49Å; L59-V62 WeakPolarHBondContact O-CG2 3.28Å; V62-G64 PolarHBondContact O-N 3.4Å; V62-L65 HydrophobicContact CB-CD1 4.26Å; V62-L65 VanDerWaalsContact O-CB 3.3Å; V62-L65 WeakPolarHBondContact O-CB 3.23Å; V62-L65 WeakPolarHBondContact O-CG 3.17Å; V62-L65 PolarHBondContact O-N 3.03Å; V62-V72 HydrophobicContact CB-CG1 4.35Å; V62-V72 HydrophobicContact CG2-CG1 4.24Å; V62-L127 HydrophobicContact CG1-CD2 3.76Å; V62-L130 HydrophobicContact CG1-CD1 4.15Å; V62-I132 HydrophobicContact CG1-CD1 3.77Å; V62-F159 HydrophobicContact CG1-CE1 3.96Å; V62-F159 HydrophobicContact CG1-CZ 4.3Å
63	R	90	Very high	92.5	Very high	171 Å²	171	47.8 Å²	47.8	65%	0.645	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.5	177.2	-170.3	179.7	-179.2	-162.2	2	113.2	L59 R60 C61 L65	L59-R63 WeakPolarHBondContact O-CB 3.38Å; L59-R63 PolarHBondContact O-N 3.25Å; R60-R63 WeakPolarHBondContact O-CB 3.34Å; R60-R63 PolarHBondContact O-N 3.1Å; C61-R63 VanDerWaalsContact C-N 3.34Å; R63-L65 PolarHBondContact O-N 3.24Å
64	G	88.2	Confident	93	Very high	75 Å²	75	45.2 Å²	45.2	77%	0.773	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.6	175.4	0	0	0	0	0	114.2	V62	V62-G64 PolarHBondContact O-N 3.4Å
65	L	91.9	Very high	93.4	Very high	31 Å²	31	44.7 Å²	44.7	16%	0.162	22%	0.221	C	C	.	.	S	Bend	trans	-86.3	147.2	176.8	-55	176.3	0	0	0	110.6	V62 R63 P67 A70 R126 L130	V62-L65 HydrophobicContact CB-CD1 4.26Å; V62-L65 VanDerWaalsContact O-CB 3.3Å; V62-L65 WeakPolarHBondContact O-CB 3.23Å; V62-L65 WeakPolarHBondContact O-CG 3.17Å; V62-L65 PolarHBondContact O-N 3.03Å; R63-L65 PolarHBondContact O-N 3.24Å; L65-P67 VanDerWaalsContact O-CD 3.28Å; L65-P67 WeakPolarHBondContact O-CD 3.38Å; L65-A70 HydrophobicContact CB-CB 3.93Å; L65-A70 HydrophobicContact CD1-CB 4.05Å; L65-R126 HydrophobicContact CD1-CB 3.9Å; L65-L130 HydrophobicContact CD1-CD1 3.84Å; L65-L130 HydrophobicContact CD2-CD1 4.28Å; L65-L130 HydrophobicContact CG-CD1 4.14Å
66	D	94.3	Very high	93.6	Very high	57 Å²	57	46.4 Å²	46.4	31%	0.305	23%	0.23	S	C	.	.			trans	-67.3	114.8	161.9	-179.7	-53	0	0	0	107.8	D68 E69 A70 K378	D66-D68 PolarHBondContact O-N 3.44Å; D66-D68 WeakPolarHBondContact OD1-CA 3.31Å; D66-D68 WeakPolarHBondContact OD1-CB 3.46Å; D66-D68 PolarHBondContact OD1-N 2.99Å; D66-E69 HydrophobicContact CB-CB 4.12Å; D66-E69 HydrophobicContact CB-CG 4.27Å; D66-E69 PolarHBondContact O-N 2.9Å; D66-E69 PolarHBondContact OD1-N 3.31Å; D66-A70 WeakPolarHBondContact O-CB 3.34Å; D66-A70 PolarHBondContact O-N 3.08Å; D66-K378 IonicContact OD2-NZ 2.93Å; D66-K378 PolarHBondContact OD2-NZ 3.29Å
67	P	92.1	Very high	93.7	Very high	23 Å²	23	47.3 Å²	47.3	15%	0.149	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-23.2	-172.2	26	-33.7	0	0	0	113	L65 H71 V72 R74 K155	L65-P67 VanDerWaalsContact O-CD 3.28Å; L65-P67 WeakPolarHBondContact O-CD 3.38Å; P67-H71 WeakPolarHBondContact O-CA 3.34Å; P67-H71 PolarHBondContact O-N 3.2Å; P67-H71 VanDerWaalsContact O-N 3.08Å; P67-V72 VanDerWaalsContact CB-O 3.25Å; P67-V72 WeakPolarHBondContact CB-O 3.44Å; P67-V72 PolarHBondContact O-N 2.97Å; P67-R74 HydrophobicContact CB-CB 3.96Å; P67-R74 HydrophobicContact CG-CB 3.98Å; P67-R74 HydrophobicContact CG-CG 4.08Å; P67-K155 WeakPolarHBondContact O-CE 3.43Å
68	D	91.8	Very high	93.7	Very high	21 Å²	21	46.8 Å²	46.8	11%	0.112	23%	0.232	C	C	.	.	H	α-helix	trans	-83	-36.6	179.8	-65.7	-50.8	0	0	0	111.5	D66 H71 R74 R153 K155 V375	D66-D68 PolarHBondContact O-N 3.44Å; D66-D68 WeakPolarHBondContact OD1-CA 3.31Å; D66-D68 WeakPolarHBondContact OD1-CB 3.46Å; D66-D68 PolarHBondContact OD1-N 2.99Å; D68-H71 PolarHBondContact O-CE1 3Å; D68-R74 IonicContact OD2-NH2 2.78Å; D68-R74 PolarHBondContact OD2-NH2 3.5Å; D68-R153 VanDerWaalsContact CG-NH2 3.31Å; D68-R153 IonicContact OD1-NH2 3.45Å; D68-R153 PolarHBondContact OD1-NH2 3.35Å; D68-K155 VanDerWaalsContact OD1-CE 3.28Å; D68-K155 WeakPolarHBondContact OD1-CE 3.28Å; D68-K155 IonicContact OD1-NZ 3.14Å; D68-K155 PolarHBondContact OD1-NZ 2.98Å; D68-V375 HydrophobicContact CB-CG1 4.38Å; D68-V375 HydrophobicContact CB-CG2 3.99Å
69	E	92.1	Very high	93.7	Very high	100 Å²	100	47.8 Å²	47.8	47%	0.467	24%	0.236	S	C	.	.	H	α-helix	trans	-77.1	-36.2	173.5	-66.2	179	-167.2	0	0	112.6	D66 H71 K378	D66-E69 HydrophobicContact CB-CB 4.12Å; D66-E69 HydrophobicContact CB-CG 4.27Å; D66-E69 PolarHBondContact O-N 2.9Å; D66-E69 PolarHBondContact OD1-N 3.31Å; E69-H71 PolarHBondContact O-CD2 3.26Å; E69-K378 IonicContact OE1-NZ 2.7Å; E69-K378 PolarHBondContact OE1-NZ 2.85Å
70	A	95.3	Very high	93.6	Very high	1 Å²	1	52 Å²	52	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-80.5	-15.5	178.4	0	0	0	0	0	113.2	L65 D66 V72 A123 R126	L65-A70 HydrophobicContact CB-CB 3.93Å; L65-A70 HydrophobicContact CD1-CB 4.05Å; D66-A70 WeakPolarHBondContact O-CB 3.34Å; D66-A70 PolarHBondContact O-N 3.08Å; A70-V72 VanDerWaalsContact C-N 3.25Å; A70-V72 HydrophobicContact CB-CG2 4.38Å; A70-V72 PolarHBondContact O-N 2.83Å; A70-A123 WeakPolarHBondContact O-CA 3.24Å; A70-A123 VanDerWaalsContact O-CB 3.27Å; A70-A123 WeakPolarHBondContact O-CB 3.3Å; A70-A123 PolarHBondContact O-N 2.74Å; A70-R126 HydrophobicContact CB-CB 4.44Å; A70-R126 HydrophobicContact CB-CG 4.01Å
71	H	97.6	Very high	93.4	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.019	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	40.6	-174.8	-57.7	-81	0	0	0	112.9	P67 D68 E69 Q119 A123 V154 K155 V156	P67-H71 WeakPolarHBondContact O-CA 3.34Å; P67-H71 PolarHBondContact O-N 3.2Å; P67-H71 VanDerWaalsContact O-N 3.08Å; D68-H71 PolarHBondContact O-CE1 3Å; E69-H71 PolarHBondContact O-CD2 3.26Å; H71-Q119 HydrophobicContact CB-CB 4.19Å; H71-Q119 WeakPolarHBondContact CB-O 3.49Å; H71-Q119 VanDerWaalsContact CE1-CG 3.43Å; H71-Q119 WeakPolarHBondContact CE1-CG 3.42Å; H71-Q119 PolarHBondContact CE1-OE1 2.77Å; H71-Q119 PolarHBondContact ND1-OE1 3.23Å; H71-A123 HydrophobicContact CB-CB 4.4Å; H71-V154 PolarHBondContact ND1-O 3.02Å; H71-K155 CarbonylContact O-C 3.56Å; H71-K155 WeakPolarHBondContact O-CA 3.37Å; H71-V156 PolarHBondContact O-N 2.92Å
72	V	97.4	Very high	93.1	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.018	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-120.1	143	177.2	172	0	0	0	0	108.3	V62 P67 A70 R74 A123 F159	V62-V72 HydrophobicContact CB-CG1 4.35Å; V62-V72 HydrophobicContact CG2-CG1 4.24Å; P67-V72 VanDerWaalsContact CB-O 3.25Å; P67-V72 WeakPolarHBondContact CB-O 3.44Å; P67-V72 PolarHBondContact O-N 2.97Å; A70-V72 VanDerWaalsContact C-N 3.25Å; A70-V72 HydrophobicContact CB-CG2 4.38Å; A70-V72 PolarHBondContact O-N 2.83Å; V72-R74 PolarHBondContact O-N 3.28Å; V72-A123 HydrophobicContact CG2-CB 3.99Å; V72-F159 HydrophobicContact CG1-CE2 3.6Å; V72-F159 HydrophobicContact CG1-CZ 3.47Å; V72-F159 VanDerWaalsContact CG1-CZ 3.47Å; V72-F159 HydrophobicContact CG2-CZ 4.4Å
73	I	96.9	Very high	92.8	Very high	18 Å²	18	55.1 Å²	55.1	9%	0.092	29%	0.293	C	S	.	.			trans	-54.8	133.2	179.6	-166.8	163.5	0	0	0	112.7	F75 F89 E90 L92 V156 I157 F159	I73-F75 PolarHBondContact O-N 3.36Å; I73-F89 HydrophobicContact CD1-CB 3.8Å; I73-F89 HydrophobicContact CD1-CD1 3.94Å; I73-F89 HydrophobicContact CD1-CG 3.99Å; I73-F89 HydrophobicContact CG1-CB 4.11Å; I73-F89 HydrophobicContact CG1-CD1 3.99Å; I73-F89 HydrophobicContact CG1-CG 4.38Å; I73-F89 HydrophobicContact CG2-CD1 4.22Å; I73-F89 HydrophobicContact CG2-CE1 4.41Å; I73-E90 HydrophobicContact CG1-CG 4.12Å; I73-L92 HydrophobicContact CD1-CD1 4.22Å; I73-L92 HydrophobicContact CG1-CD1 4.41Å; I73-V156 PolarHBondContact N-O 3.42Å; I73-I157 HydrophobicContact CB-CG2 4.1Å; I73-I157 HydrophobicContact CD1-CB 4.28Å; I73-I157 HydrophobicContact CD1-CG2 3.82Å; I73-I157 HydrophobicContact CG1-CG2 4.45Å; I73-F159 HydrophobicContact CG2-CE2 4.21Å
74	R	96.1	Very high	92.8	Very high	99 Å²	99	51.1 Å²	51.1	37%	0.374	28%	0.281	S	S	.	.			trans	-74.8	111.3	174.2	-174	-178	-63	171.3	0.9	109.6	P67 D68 V72 L76 F89 E90	P67-R74 HydrophobicContact CB-CB 3.96Å; P67-R74 HydrophobicContact CG-CB 3.98Å; P67-R74 HydrophobicContact CG-CG 4.08Å; D68-R74 IonicContact OD2-NH2 2.78Å; D68-R74 PolarHBondContact OD2-NH2 3.5Å; V72-R74 PolarHBondContact O-N 3.28Å; R74-L76 HydrophobicContact CG-CD2 3.96Å; R74-F89 WeakPolarHBondContact O-CA 3.42Å; R74-E90 WeakPolarHBondContact CA-OE1 3.43Å; R74-E90 HydrophobicContact CB-CB 4.14Å; R74-E90 HydrophobicContact CB-CG 3.88Å; R74-E90 WeakPolarHBondContact CB-OE1 3.3Å; R74-E90 PolarHBondContact N-OE1 3.33Å; R74-E90 PolarHBondContact O-N 3.44Å
75	F	96	Very high	92.9	Very high	20 Å²	20	48.7 Å²	48.7	9%	0.088	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.4	168.3	176.2	-117.7	0	0	0	110.1	L56 L59 I73 E77 F78 L87 F89	L56-F75 HydrophobicContact CD2-CZ 3.92Å; L59-F75 HydrophobicContact CB-CB 4.47Å; L59-F75 HydrophobicContact CB-CD1 4.02Å; L59-F75 HydrophobicContact CB-CE1 4.38Å; L59-F75 HydrophobicContact CB-CG 4.1Å; L59-F75 HydrophobicContact CD1-CD2 3.88Å; L59-F75 HydrophobicContact CD1-CE2 4.05Å; L59-F75 HydrophobicContact CD1-CG 4.23Å; L59-F75 HydrophobicContact CD2-CB 4.29Å; I73-F75 PolarHBondContact O-N 3.36Å; F75-E77 WeakPolarHBondContact CE2-O 3.41Å; F75-F78 HydrophobicContact CE2-CB 4.31Å; F75-F78 HydrophobicContact CZ-CB 3.67Å; F75-L87 HydrophobicContact CE2-CB 4.15Å; F75-L87 HydrophobicContact CE2-CG 4.29Å; F75-F89 HydrophobicContact CB-CD1 4.16Å; F75-F89 HydrophobicContact CB-CE1 4.11Å; F75-F89 HydrophobicContact CD2-CD1 4.02Å; F75-F89 AromaticContact CD2-CE1 3.63Å; F75-F89 HydrophobicContact CD2-CE1 3.63Å; F75-F89 HydrophobicContact CD2-CZ 4.03Å; F75-F89 HydrophobicContact CG-CE1 4.3Å
76	L	94.3	Very high	93	Very high	41 Å²	41	47.7 Å²	47.7	22%	0.215	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-57.5	-174.4	-62.9	177.1	0	0	0	111.1	V37 R74 V88	V37-L76 HydrophobicContact CG1-CD1 3.74Å; R74-L76 HydrophobicContact CG-CD2 3.96Å; L76-V88 HydrophobicContact CB-CB 4.3Å; L76-V88 HydrophobicContact CB-CG1 4.2Å; L76-V88 WeakPolarHBondContact CB-O 3.27Å; L76-V88 HydrophobicContact CD1-CG1 4.05Å; L76-V88 PolarHBondContact N-O 2.98Å
77	E	93.8	Very high	93	Very high	31 Å²	31	45 Å²	45	15%	0.145	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	167.8	179.6	66.2	174.4	-163.3	0	0	113.3	S6 T8 Y11 F75 F79 V88	S6-E77 WeakPolarHBondContact CB-OE1 3.07Å; S6-E77 PolarHBondContact OG-OE1 3.16Å; T8-E77 PolarHBondContact OG1-OE2 3.43Å; Y11-E77 WeakPolarHBondContact CE2-OE1 3.33Å; Y11-E77 PolarHBondContact OH-OE1 2.85Å; F75-E77 WeakPolarHBondContact CE2-O 3.41Å; E77-F79 HydrophobicContact CG-CD1 4.39Å; E77-V88 HydrophobicContact CG-CB 3.89Å; E77-V88 HydrophobicContact CG-CG2 3.76Å; E77-V88 PolarHBondContact N-O 2.91Å; E77-V88 PolarHBondContact O-N 3.28Å
78	F	93.8	Very high	93.2	Very high	62 Å²	62	43.9 Å²	43.9	27%	0.272	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.5	172	159.4	-95.7	0	0	0	110.2	I52 L56 F75 F85 Y86 L87	I52-F78 HydrophobicContact CG2-CE2 4.2Å; L56-F78 HydrophobicContact CD1-CD1 3.95Å; L56-F78 HydrophobicContact CD1-CD2 3.75Å; L56-F78 HydrophobicContact CD1-CE1 3.79Å; L56-F78 HydrophobicContact CD1-CE2 3.56Å; L56-F78 HydrophobicContact CD1-CG 3.91Å; L56-F78 HydrophobicContact CD1-CZ 3.57Å; L56-F78 HydrophobicContact CD2-CB 3.62Å; L56-F78 HydrophobicContact CD2-CD1 4.26Å; L56-F78 HydrophobicContact CD2-CD2 3.61Å; L56-F78 HydrophobicContact CD2-CE2 4.28Å; L56-F78 HydrophobicContact CD2-CG 3.57Å; L56-F78 HydrophobicContact CG-CD2 4.23Å; L56-F78 HydrophobicContact CG-CE2 4.42Å; L56-F78 HydrophobicContact CG-CG 4.4Å; F75-F78 HydrophobicContact CE2-CB 4.31Å; F75-F78 HydrophobicContact CZ-CB 3.67Å; F78-F85 HydrophobicContact CE2-CB 4.04Å; F78-F85 AromaticContact CE2-CD1 3.49Å; F78-F85 HydrophobicContact CE2-CD1 3.49Å; F78-F85 VanDerWaalsContact CE2-CD1 3.49Å; F78-F85 HydrophobicContact CE2-CE1 4.35Å; F78-F85 HydrophobicContact CE2-CG 4.17Å; F78-F85 AromaticContact CZ-CD1 3.44Å; F78-F85 HydrophobicContact CZ-CD1 3.44Å; F78-F85 VanDerWaalsContact CZ-CD1 3.44Å; F78-F85 AromaticContact CZ-CE1 3.88Å; F78-F85 HydrophobicContact CZ-CE1 3.88Å; F78-Y86 VanDerWaalsContact CA-O 3.31Å; F78-Y86 WeakPolarHBondContact CA-O 3.1Å; F78-Y86 WeakPolarHBondContact CD2-O 3.21Å; F78-L87 HydrophobicContact CD2-CD1 3.82Å; F78-L87 HydrophobicContact CD2-CG 4.15Å; F78-L87 HydrophobicContact CE2-CD1 4.22Å
79	F	93.6	Very high	93.5	Very high	21 Å²	21	43.7 Å²	43.7	9%	0.092	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	174.5	171.4	63	-83.9	0	0	0	110	I4 Y11 E77 Y86 V88	I4-F79 HydrophobicContact CB-CE2 4.49Å; I4-F79 HydrophobicContact CD1-CE2 4.39Å; I4-F79 HydrophobicContact CD1-CZ 3.85Å; I4-F79 HydrophobicContact CG1-CZ 4.14Å; Y11-F79 HydrophobicContact CD2-CE1 4.19Å; Y11-F79 HydrophobicContact CD2-CZ 4.03Å; Y11-F79 AromaticContact CE2-CE1 3.84Å; Y11-F79 HydrophobicContact CE2-CE1 3.84Å; Y11-F79 HydrophobicContact CE2-CZ 4.15Å; E77-F79 HydrophobicContact CG-CD1 4.39Å; F79-Y86 AromaticContact CD2-CD2 3.73Å; F79-Y86 HydrophobicContact CD2-CD2 3.73Å; F79-Y86 HydrophobicContact CD2-CG 4.13Å; F79-Y86 HydrophobicContact CE1-CG 4.49Å; F79-Y86 HydrophobicContact CE2-CD1 4.41Å; F79-Y86 AromaticContact CE2-CD2 3.52Å; F79-Y86 HydrophobicContact CE2-CD2 3.52Å; F79-Y86 HydrophobicContact CE2-CE2 4.22Å; F79-Y86 AromaticContact CE2-CG 3.64Å; F79-Y86 HydrophobicContact CE2-CG 3.64Å; F79-Y86 HydrophobicContact CZ-CD1 4.43Å; F79-Y86 HydrophobicContact CZ-CD2 4.21Å; F79-Y86 AromaticContact CZ-CG 3.85Å; F79-Y86 HydrophobicContact CZ-CG 3.85Å; F79-Y86 PolarHBondContact N-O 3.11Å; F79-Y86 VanDerWaalsContact N-O 3.08Å; F79-Y86 PolarHBondContact O-N 3.08Å; F79-V88 HydrophobicContact CD1-CG2 4.37Å; F79-V88 HydrophobicContact CE1-CG2 3.68Å
80	H	91.8	Very high	93.7	Very high	88 Å²	88	40.3 Å²	40.3	41%	0.407	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	156.7	-177.6	66.2	-62.2	0	0	0	111.3	K84 F85	H80-K84 CarbonylContact C-O 3.56Å; H80-K84 VanDerWaalsContact CA-O 3.23Å; H80-K84 WeakPolarHBondContact CA-O 3.47Å; H80-K84 WeakPolarHBondContact CB-O 3.32Å; H80-F85 HydrophobicContact CB-CD1 3.49Å; H80-F85 VanDerWaalsContact CB-CD1 3.49Å; H80-F85 HydrophobicContact CB-CE1 3.86Å; H80-F85 HydrophobicContact CB-CG 4.33Å
81	D	88.8	Confident	93.8	Very high	69 Å²	69	42.8 Å²	42.8	37%	0.369	22%	0.216	S	C	.	.			trans	-116.3	-171.6	164.4	70.1	26.8	0	0	0	110	N44 L83 K84 Y86	N44-D81 PolarHBondContact ND2-O 2.7Å; D81-L83 PolarHBondContact O-N 2.78Å; D81-L83 VanDerWaalsContact O-N 3.08Å; D81-L83 WeakPolarHBondContact OD1-CA 3.44Å; D81-L83 PolarHBondContact OD1-N 3.17Å; D81-K84 PolarHBondContact N-O 3.09Å; D81-K84 PolarHBondContact OD1-N 3.41Å; D81-Y86 HydrophobicContact CB-CE2 4.49Å; D81-Y86 PolarHBondContact OD2-OH 3.3Å; D81-Y86 VanDerWaalsContact OD2-OH 3.09Å
82	A	85.1	Confident	93.7	Very high	93 Å²	93	43.2 Å²	43.2	77%	0.769	22%	0.219	S	C	*	.	S	Bend	trans	-59.4	-20.5	-179.8	0	0	0	0	0	114.1
83	L	87.3	Confident	93.6	Very high	129 Å²	129	47.9 Å²	47.9	68%	0.675	24%	0.241	S	C	*	.	S	Bend	trans	-121	-22.5	-170.4	-61.5	178.9	0	0	0	114	N44 D81	N44-L83 VanDerWaalsContact CB-O 3.26Å; N44-L83 WeakPolarHBondContact CB-O 3.13Å; N44-L83 PolarHBondContact N-O 3.07Å; D81-L83 PolarHBondContact O-N 2.78Å; D81-L83 VanDerWaalsContact O-N 3.08Å; D81-L83 WeakPolarHBondContact OD1-CA 3.44Å; D81-L83 PolarHBondContact OD1-N 3.17Å
84	K	90.7	Very high	93.5	Very high	88 Å²	88	48.5 Å²	48.5	38%	0.383	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	148.8	-168.5	-71.2	172.7	172.4	-174.4	0	112.9	I41 L42 H80 D81 Y86	I41-K84 HydrophobicContact CG2-CB 4.32Å; I41-K84 HydrophobicContact CG2-CD 3.63Å; I41-K84 HydrophobicContact CG2-CG 4.16Å; L42-K84 CarbonylContact O-C 3.58Å; L42-K84 WeakPolarHBondContact O-CA 3.5Å; H80-K84 CarbonylContact C-O 3.56Å; H80-K84 VanDerWaalsContact CA-O 3.23Å; H80-K84 WeakPolarHBondContact CA-O 3.47Å; H80-K84 WeakPolarHBondContact CB-O 3.32Å; D81-K84 PolarHBondContact N-O 3.09Å; D81-K84 PolarHBondContact OD1-N 3.41Å; K84-Y86 HydrophobicContact CB-CD2 4.49Å; K84-Y86 HydrophobicContact CB-CE1 4.35Å; K84-Y86 HydrophobicContact CB-CE2 3.66Å; K84-Y86 HydrophobicContact CD-CE1 4.45Å; K84-Y86 WeakPolarHBondContact CD-OH 3.34Å
85	F	90.9	Very high	93.6	Very high	23 Å²	23	45.4 Å²	45.4	10%	0.101	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	142.7	166.5	-67.3	-74.8	0	0	0	109.5	I41 L42 N44 I52 F78 H80	I41-F85 WeakPolarHBondContact CA-O 3.36Å; L42-F85 HydrophobicContact CB-CB 4.23Å; L42-F85 PolarHBondContact N-O 3.39Å; L42-F85 PolarHBondContact O-N 3.05Å; N44-F85 HydrophobicContact CB-CD2 3.97Å; N44-F85 HydrophobicContact CB-CE2 3.77Å; N44-F85 HydrophobicContact CB-CZ 4.42Å; N44-F85 VanDerWaalsContact CG-CE2 3.48Å; N44-F85 WeakPolarHBondContact OD1-CE2 3.05Å; N44-F85 WeakPolarHBondContact OD1-CZ 3.47Å; I52-F85 HydrophobicContact CD1-CB 4.02Å; I52-F85 HydrophobicContact CD1-CD2 3.22Å; I52-F85 HydrophobicContact CD1-CE2 3.82Å; I52-F85 HydrophobicContact CD1-CG 3.79Å; I52-F85 HydrophobicContact CG2-CB 4.45Å; I52-F85 HydrophobicContact CG2-CD1 4.46Å; I52-F85 HydrophobicContact CG2-CG 4.26Å; F78-F85 HydrophobicContact CE2-CB 4.04Å; F78-F85 AromaticContact CE2-CD1 3.49Å; F78-F85 HydrophobicContact CE2-CD1 3.49Å; F78-F85 VanDerWaalsContact CE2-CD1 3.49Å; F78-F85 HydrophobicContact CE2-CE1 4.35Å; F78-F85 HydrophobicContact CE2-CG 4.17Å; F78-F85 AromaticContact CZ-CD1 3.44Å; F78-F85 HydrophobicContact CZ-CD1 3.44Å; F78-F85 VanDerWaalsContact CZ-CD1 3.44Å; F78-F85 AromaticContact CZ-CE1 3.88Å; F78-F85 HydrophobicContact CZ-CE1 3.88Å; H80-F85 HydrophobicContact CB-CD1 3.49Å; H80-F85 VanDerWaalsContact CB-CD1 3.49Å; H80-F85 HydrophobicContact CB-CE1 3.86Å; H80-F85 HydrophobicContact CB-CG 4.33Å
86	Y	93.6	Very high	93.7	Very high	11 Å²	11	44.5 Å²	44.5	4%	0.043	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.4	-176.9	-58.6	-87	0	0	0	109.2	I4 I39 K40 I41 F78 F79 D81 K84	I4-Y86 HydrophobicContact CB-CE1 4.5Å; I4-Y86 HydrophobicContact CD1-CD1 3.53Å; I4-Y86 HydrophobicContact CD1-CE1 3.7Å; I4-Y86 HydrophobicContact CD1-CG 4.28Å; I4-Y86 HydrophobicContact CG2-CE1 4.01Å; I39-Y86 HydrophobicContact CG2-CD1 4.09Å; K40-Y86 WeakPolarHBondContact O-CA 3.39Å; I41-Y86 HydrophobicContact CB-CD1 4.48Å; I41-Y86 HydrophobicContact CB-CE1 4.49Å; I41-Y86 HydrophobicContact CD1-CE1 4.35Å; I41-Y86 HydrophobicContact CG1-CD1 3.95Å; I41-Y86 HydrophobicContact CG1-CE1 4.06Å; I41-Y86 HydrophobicContact CG2-CD1 4.21Å; I41-Y86 HydrophobicContact CG2-CE1 3.82Å; F78-Y86 VanDerWaalsContact CA-O 3.31Å; F78-Y86 WeakPolarHBondContact CA-O 3.1Å; F78-Y86 WeakPolarHBondContact CD2-O 3.21Å; F79-Y86 AromaticContact CD2-CD2 3.73Å; F79-Y86 HydrophobicContact CD2-CD2 3.73Å; F79-Y86 HydrophobicContact CD2-CG 4.13Å; F79-Y86 HydrophobicContact CE1-CG 4.49Å; F79-Y86 HydrophobicContact CE2-CD1 4.41Å; F79-Y86 AromaticContact CE2-CD2 3.52Å; F79-Y86 HydrophobicContact CE2-CD2 3.52Å; F79-Y86 HydrophobicContact CE2-CE2 4.22Å; F79-Y86 AromaticContact CE2-CG 3.64Å; F79-Y86 HydrophobicContact CE2-CG 3.64Å; F79-Y86 HydrophobicContact CZ-CD1 4.43Å; F79-Y86 HydrophobicContact CZ-CD2 4.21Å; F79-Y86 AromaticContact CZ-CG 3.85Å; F79-Y86 HydrophobicContact CZ-CG 3.85Å; F79-Y86 PolarHBondContact N-O 3.11Å; F79-Y86 VanDerWaalsContact N-O 3.08Å; F79-Y86 PolarHBondContact O-N 3.08Å; D81-Y86 HydrophobicContact CB-CE2 4.49Å; D81-Y86 PolarHBondContact OD2-OH 3.3Å; D81-Y86 VanDerWaalsContact OD2-OH 3.09Å; K84-Y86 HydrophobicContact CB-CD2 4.49Å; K84-Y86 HydrophobicContact CB-CE1 4.35Å; K84-Y86 HydrophobicContact CB-CE2 3.66Å; K84-Y86 HydrophobicContact CD-CE1 4.45Å; K84-Y86 WeakPolarHBondContact CD-OH 3.34Å
87	L	94.6	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.6	171.9	-71.2	70	0	0	0	107.6	I39 K40 L42 E55 L56 L59 F75 F78 F89	I39-L87 CarbonylContact C-O 3.58Å; I39-L87 WeakPolarHBondContact CA-O 3Å; K40-L87 HydrophobicContact CB-CB 4.28Å; K40-L87 PolarHBondContact N-O 3.18Å; K40-L87 PolarHBondContact O-N 2.95Å; L42-L87 HydrophobicContact CD1-CD1 3.78Å; E55-L87 HydrophobicContact CG-CD2 4.28Å; L56-L87 HydrophobicContact CD2-CD2 4.17Å; L56-L87 HydrophobicContact CD2-CG 4.13Å; L59-L87 HydrophobicContact CD1-CD2 3.66Å; F75-L87 HydrophobicContact CE2-CB 4.15Å; F75-L87 HydrophobicContact CE2-CG 4.29Å; F78-L87 HydrophobicContact CD2-CD1 3.82Å; F78-L87 HydrophobicContact CD2-CG 4.15Å; F78-L87 HydrophobicContact CE2-CD1 4.22Å; L87-F89 HydrophobicContact CB-CD2 4.45Å; L87-F89 HydrophobicContact CB-CE2 3.51Å; L87-F89 HydrophobicContact CB-CZ 3.84Å; L87-F89 HydrophobicContact CD2-CE2 4.48Å; L87-F89 HydrophobicContact CD2-CZ 4.09Å; L87-F89 WeakPolarHBondContact O-CD2 3.4Å
88	V	96.2	Very high	94	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.1	-176.2	-170.3	0	0	0	0	109.3	Y11 V37 I39 L76 E77 F79	Y11-V88 HydrophobicContact CE1-CG1 3.88Å; Y11-V88 HydrophobicContact CE1-CG2 4.43Å; Y11-V88 HydrophobicContact CE2-CG2 4.46Å; V37-V88 HydrophobicContact CB-CG1 3.89Å; V37-V88 HydrophobicContact CG1-CG1 4.12Å; V37-V88 HydrophobicContact CG2-CG1 3.99Å; I39-V88 HydrophobicContact CG1-CG1 4.48Å; L76-V88 HydrophobicContact CB-CB 4.3Å; L76-V88 HydrophobicContact CB-CG1 4.2Å; L76-V88 WeakPolarHBondContact CB-O 3.27Å; L76-V88 HydrophobicContact CD1-CG1 4.05Å; L76-V88 PolarHBondContact N-O 2.98Å; E77-V88 HydrophobicContact CG-CB 3.89Å; E77-V88 HydrophobicContact CG-CG2 3.76Å; E77-V88 PolarHBondContact N-O 2.91Å; E77-V88 PolarHBondContact O-N 3.28Å; F79-V88 HydrophobicContact CD1-CG2 4.37Å; F79-V88 HydrophobicContact CE1-CG2 3.68Å
89	F	97	Very high	94.1	Very high	16 Å²	16	43.5 Å²	43.5	7%	0.07	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	163.2	-179	-57	-89.7	0	0	0	110.9	V37 A38 K40 L59 I73 R74 F75 L87	V37-F89 WeakPolarHBondContact CB-O 3.33Å; A38-F89 HydrophobicContact CB-CB 4.49Å; A38-F89 PolarHBondContact N-O 3.11Å; A38-F89 PolarHBondContact O-N 3.19Å; K40-F89 HydrophobicContact CB-CE2 4.01Å; L59-F89 HydrophobicContact CD1-CE1 3.89Å; L59-F89 HydrophobicContact CD1-CZ 3.8Å; L59-F89 HydrophobicContact CD2-CE1 3.87Å; L59-F89 HydrophobicContact CD2-CZ 4.49Å; I73-F89 HydrophobicContact CD1-CB 3.8Å; I73-F89 HydrophobicContact CD1-CD1 3.94Å; I73-F89 HydrophobicContact CD1-CG 3.99Å; I73-F89 HydrophobicContact CG1-CB 4.11Å; I73-F89 HydrophobicContact CG1-CD1 3.99Å; I73-F89 HydrophobicContact CG1-CG 4.38Å; I73-F89 HydrophobicContact CG2-CD1 4.22Å; I73-F89 HydrophobicContact CG2-CE1 4.41Å; R74-F89 WeakPolarHBondContact O-CA 3.42Å; F75-F89 HydrophobicContact CB-CD1 4.16Å; F75-F89 HydrophobicContact CB-CE1 4.11Å; F75-F89 HydrophobicContact CD2-CD1 4.02Å; F75-F89 AromaticContact CD2-CE1 3.63Å; F75-F89 HydrophobicContact CD2-CE1 3.63Å; F75-F89 HydrophobicContact CD2-CZ 4.03Å; F75-F89 HydrophobicContact CG-CE1 4.3Å; L87-F89 HydrophobicContact CB-CD2 4.45Å; L87-F89 HydrophobicContact CB-CE2 3.51Å; L87-F89 HydrophobicContact CB-CZ 3.84Å; L87-F89 HydrophobicContact CD2-CE2 4.48Å; L87-F89 HydrophobicContact CD2-CZ 4.09Å; L87-F89 WeakPolarHBondContact O-CD2 3.4Å
90	E	96.6	Very high	94.2	Very high	29 Å²	29	42.5 Å²	42.5	14%	0.136	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	143.7	161.9	68.5	-176.8	129	0	0	110.4	I73 R74 L92 K155	I73-E90 HydrophobicContact CG1-CG 4.12Å; R74-E90 WeakPolarHBondContact CA-OE1 3.43Å; R74-E90 HydrophobicContact CB-CB 4.14Å; R74-E90 HydrophobicContact CB-CG 3.88Å; R74-E90 WeakPolarHBondContact CB-OE1 3.3Å; R74-E90 PolarHBondContact N-OE1 3.33Å; R74-E90 PolarHBondContact O-N 3.44Å; E90-L92 HydrophobicContact CG-CD2 3.96Å; E90-L92 HydrophobicContact CG-CG 4.37Å; E90-K155 VanDerWaalsContact OE1-CD 3.32Å; E90-K155 WeakPolarHBondContact OE1-CD 3.26Å; E90-K155 IonicContact OE1-NZ 3.38Å; E90-K155 PolarHBondContact OE1-NZ 3.46Å; E90-K155 IonicContact OE2-NZ 2.67Å; E90-K155 PolarHBondContact OE2-NZ 3.34Å
91	L	97.2	Very high	94.4	Very high	53 Å²	53	42.1 Å²	42.1	28%	0.277	22%	0.217	S	C	.	.			trans	-80.5	126	173.2	-176.5	68.8	0	0	0	109.6	L17 K27 M36 A38	L17-L91 HydrophobicContact CD1-CD1 3.88Å; K27-L91 HydrophobicContact CD-CD2 4.29Å; K27-L91 HydrophobicContact CG-CD1 4.28Å; K27-L91 HydrophobicContact CG-CD2 4.08Å; M36-L91 HydrophobicContact CB-CB 4.4Å; M36-L91 HydrophobicContact CB-CD2 3.65Å; M36-L91 HydrophobicContact CG-CD2 4.5Å; A38-L91 HydrophobicContact CB-CD1 4.09Å
92	L	96.8	Very high	94.8	Very high	14 Å²	14	44.9 Å²	44.9	7%	0.073	23%	0.228	C	C	.	.			trans	-107	164.5	171.7	-56.1	-179.2	0	0	0	110	I73 E90 M143 V145 K155 I157	I73-L92 HydrophobicContact CD1-CD1 4.22Å; I73-L92 HydrophobicContact CG1-CD1 4.41Å; E90-L92 HydrophobicContact CG-CD2 3.96Å; E90-L92 HydrophobicContact CG-CG 4.37Å; L92-M143 HydrophobicContact CB-CB 4.07Å; L92-M143 HydrophobicContact CB-CE 3.85Å; L92-M143 HydrophobicContact CB-SD 4.08Å; L92-M143 HydrophobicContact CD1-CB 3.64Å; L92-M143 HydrophobicContact CD1-CG 4.43Å; L92-M143 HydrophobicContact CD1-SD 4.21Å; L92-V145 HydrophobicContact CD2-CG1 4.44Å; L92-V145 HydrophobicContact CD2-CG2 4.18Å; L92-K155 HydrophobicContact CD1-CB 4.08Å; L92-K155 HydrophobicContact CD2-CD 4.28Å; L92-I157 HydrophobicContact CD1-CG2 3.77Å
93	E	95.1	Very high	95.3	Very high	101 Å²	101	44 Å²	44	47%	0.472	21%	0.21	S	C	.	.			trans	-81.1	-69.6	-172.4	-174.1	177.7	-173.8	0	0	112.4	L144 D146 Q147	E93-L144 PolarHBondContact N-O 3.05Å; E93-D146 WeakPolarHBondContact OE2-CA 3.44Å; E93-Q147 PolarHBondContact OE2-N 3.12Å
94	Q	94.7	Very high	95.7	Very high	30 Å²	30	44.5 Å²	44.5	14%	0.14	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	144.4	-169.3	-167.9	-174.6	43.2	0	0	111.6	E98 F99 E102 M143 L144	Q94-E98 HydrophobicContact CG-CB 3.86Å; Q94-F99 VanDerWaalsContact OE1-CA 3.32Å; Q94-E102 PolarHBondContact NE2-OE1 3.48Å; Q94-E102 PolarHBondContact NE2-OE2 3.4Å; Q94-M143 CarbonylContact O-C 3.59Å; Q94-M143 WeakPolarHBondContact O-CA 3.48Å; Q94-L144 WeakPolarHBondContact O-CB 3.4Å; Q94-L144 PolarHBondContact O-N 3.49Å
95	N	97.4	Very high	95.9	Very high	35 Å²	35	41.6 Å²	41.6	19%	0.187	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	159.2	172.2	69.1	64.7	0	0	0	112.4	F97 E98 F99 E140 I142 M143	N95-F97 VanDerWaalsContact C-N 3.26Å; N95-F97 PolarHBondContact O-N 3.3Å; N95-F97 WeakPolarHBondContact OD1-CB 3.41Å; N95-F97 PolarHBondContact OD1-N 2.9Å; N95-F97 VanDerWaalsContact OD1-N 3.1Å; N95-E98 PolarHBondContact O-N 2.84Å; N95-E98 PolarHBondContact OD1-N 2.79Å; N95-F99 PolarHBondContact O-N 3.3Å; N95-E140 WeakPolarHBondContact CB-O 3.38Å; N95-I142 WeakPolarHBondContact CA-O 3.01Å; N95-M143 HydrophobicContact CB-CG 3.97Å
96	L	98.3	Very high	96	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-26	-176.1	-67.9	-178.3	0	0	0	113.8	Q100 V116 P139 I142 L144 V154 L208	L96-Q100 WeakPolarHBondContact O-CG 3.39Å; L96-Q100 PolarHBondContact O-N 3.26Å; L96-V116 HydrophobicContact CD1-CG1 3.73Å; L96-P139 HydrophobicContact CB-CB 4Å; L96-P139 PolarHBondContact N-O 2.9Å; L96-P139 VanDerWaalsContact N-O 3.07Å; L96-I142 HydrophobicContact CD1-CB 3.82Å; L96-I142 HydrophobicContact CD1-CD1 4.35Å; L96-I142 HydrophobicContact CD1-CG2 3.52Å; L96-I142 HydrophobicContact CG-CB 4.17Å; L96-I142 HydrophobicContact CG-CG2 4Å; L96-I142 PolarHBondContact N-O 2.91Å; L96-L144 HydrophobicContact CD2-CD2 4.17Å; L96-L144 HydrophobicContact CD2-CG 4.2Å; L96-V154 HydrophobicContact CD2-CG1 4.45Å; L96-L208 HydrophobicContact CB-CD2 4.37Å; L96-L208 HydrophobicContact CD1-CD1 4.17Å; L96-L208 HydrophobicContact CD1-CD2 4.36Å
97	F	97.1	Very high	96	Very high	32 Å²	32	45.2 Å²	45.2	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-67.5	-52	176	177.4	-97.6	0	0	0	111.4	N95 F99 Q100 K101 F105 P139 E140	N95-F97 VanDerWaalsContact C-N 3.26Å; N95-F97 PolarHBondContact O-N 3.3Å; N95-F97 WeakPolarHBondContact OD1-CB 3.41Å; N95-F97 PolarHBondContact OD1-N 2.9Å; N95-F97 VanDerWaalsContact OD1-N 3.1Å; F97-F99 VanDerWaalsContact C-N 3.27Å; F97-F99 PolarHBondContact O-N 2.98Å; F97-Q100 PolarHBondContact O-N 3.35Å; F97-K101 HydrophobicContact CE1-CD 4.34Å; F97-K101 WeakPolarHBondContact O-CB 3.47Å; F97-K101 PolarHBondContact O-N 3.08Å; F97-F105 HydrophobicContact CE2-CE1 4.2Å; F97-F105 HydrophobicContact CE2-CZ 4.5Å; F97-F105 HydrophobicContact CZ-CZ 4.46Å; F97-P139 HydrophobicContact CB-CB 4.05Å; F97-E140 HydrophobicContact CB-CG 3.91Å; F97-E140 HydrophobicContact CG-CG 4.29Å
98	E	96.6	Very high	96	Very high	60 Å²	60	45.8 Å²	45.8	28%	0.28	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-36.4	177.2	-68.4	-60.6	135.7	0	0	110.9	Q94 N95 Q100 K101 E102	Q94-E98 HydrophobicContact CG-CB 3.86Å; N95-E98 PolarHBondContact O-N 2.84Å; N95-E98 PolarHBondContact OD1-N 2.79Å; E98-Q100 PolarHBondContact O-N 3.2Å; E98-K101 PolarHBondContact O-N 2.7Å; E98-K101 IonicContact OE1-NZ 2.64Å; E98-K101 PolarHBondContact OE1-NZ 2.81Å; E98-K101 VanDerWaalsContact OE1-NZ 3.16Å; E98-K101 WeakPolarHBondContact OE2-CD 3.2Å; E98-K101 IonicContact OE2-NZ 3.85Å; E98-K101 PolarHBondContact OE2-NZ 3.29Å; E98-E102 WeakPolarHBondContact O-CG 3.4Å; E98-E102 PolarHBondContact O-N 2.73Å
99	F	97.1	Very high	95.9	Very high	22 Å²	22	48 Å²	48	10%	0.096	25%	0.25	C	C	.	.	H	α-helix	trans	-57.9	-49.2	171.8	179	-93.4	0	0	0	111.8	Q94 N95 F97 K101 E102 N103 L108 L144 Q147 F152	Q94-F99 VanDerWaalsContact OE1-CA 3.32Å; N95-F99 PolarHBondContact O-N 3.3Å; F97-F99 VanDerWaalsContact C-N 3.27Å; F97-F99 PolarHBondContact O-N 2.98Å; F99-K101 VanDerWaalsContact C-N 3.33Å; F99-K101 PolarHBondContact O-N 3.48Å; F99-E102 PolarHBondContact O-N 2.87Å; F99-N103 PolarHBondContact O-N 2.88Å; F99-N103 VanDerWaalsContact O-N 3.15Å; F99-N103 PolarHBondContact O-ND2 3.05Å; F99-L108 HydrophobicContact CE1-CD1 4.48Å; F99-L108 HydrophobicContact CE1-CD2 4.09Å; F99-L144 HydrophobicContact CB-CD1 4.12Å; F99-L144 HydrophobicContact CD2-CD1 3.59Å; F99-L144 HydrophobicContact CE2-CD1 4.25Å; F99-L144 HydrophobicContact CG-CD1 3.95Å; F99-Q147 HydrophobicContact CE2-CG 4.31Å; F99-F152 AromaticContact CE1-CE1 3.95Å; F99-F152 HydrophobicContact CE1-CE1 3.95Å; F99-F152 HydrophobicContact CE1-CZ 4.33Å; F99-F152 AromaticContact CZ-CE1 3.93Å; F99-F152 HydrophobicContact CZ-CE1 3.93Å; F99-F152 AromaticContact CZ-CZ 3.97Å; F99-F152 HydrophobicContact CZ-CZ 3.97Å
100	Q	96.1	Very high	95.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-43.4	177.1	-78	-167	-71.1	0	0	111.7	L96 F97 E98 E102 N103 N104 F105 L108 E207 L208	L96-Q100 WeakPolarHBondContact O-CG 3.39Å; L96-Q100 PolarHBondContact O-N 3.26Å; F97-Q100 PolarHBondContact O-N 3.35Å; E98-Q100 PolarHBondContact O-N 3.2Å; Q100-E102 PolarHBondContact O-N 3.37Å; Q100-N103 CarbonylContact O-C 3.23Å; Q100-N103 VanDerWaalsContact O-C 3.23Å; Q100-N103 WeakPolarHBondContact O-CA 3.42Å; Q100-N103 PolarHBondContact O-N 3.26Å; Q100-N103 VanDerWaalsContact O-N 3.1Å; Q100-N104 PolarHBondContact O-N 2.88Å; Q100-F105 HydrophobicContact CB-CD1 3.88Å; Q100-F105 HydrophobicContact CB-CE1 4.28Å; Q100-F105 WeakPolarHBondContact O-CA 3.5Å; Q100-F105 PolarHBondContact O-N 3.08Å; Q100-L108 HydrophobicContact CG-CD1 3.96Å; Q100-E207 PolarHBondContact NE2-O 3.44Å; Q100-E207 VanDerWaalsContact NE2-O 3.14Å; Q100-L208 HydrophobicContact CG-CD2 4.03Å
101	K	96.1	Very high	95.9	Very high	80 Å²	80	49.3 Å²	49.3	35%	0.348	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-44.6	-179.8	-179.8	-173.4	171.9	-166.4	0	112.5	F97 E98 F99 N103 N104 F105	F97-K101 HydrophobicContact CE1-CD 4.34Å; F97-K101 WeakPolarHBondContact O-CB 3.47Å; F97-K101 PolarHBondContact O-N 3.08Å; E98-K101 PolarHBondContact O-N 2.7Å; E98-K101 IonicContact OE1-NZ 2.64Å; E98-K101 PolarHBondContact OE1-NZ 2.81Å; E98-K101 VanDerWaalsContact OE1-NZ 3.16Å; E98-K101 WeakPolarHBondContact OE2-CD 3.2Å; E98-K101 IonicContact OE2-NZ 3.85Å; E98-K101 PolarHBondContact OE2-NZ 3.29Å; F99-K101 VanDerWaalsContact C-N 3.33Å; F99-K101 PolarHBondContact O-N 3.48Å; K101-N103 PolarHBondContact O-N 2.88Å; K101-N104 PolarHBondContact O-N 3.18Å; K101-F105 HydrophobicContact CB-CE1 4.05Å; K101-F105 HydrophobicContact CB-CE2 4.08Å; K101-F105 HydrophobicContact CB-CZ 3.61Å; K101-F105 HydrophobicContact CG-CE2 4.09Å; K101-F105 HydrophobicContact CG-CZ 3.89Å
102	E	96.4	Very high	95.9	Very high	127 Å²	127	48.8 Å²	48.8	59%	0.593	25%	0.25	S	C	*	.	H	α-helix	trans	-63.7	-31.1	174.7	-75.3	179.2	-178.1	0	0	112.4	Q94 E98 F99 Q100 N104	Q94-E102 PolarHBondContact NE2-OE1 3.48Å; Q94-E102 PolarHBondContact NE2-OE2 3.4Å; E98-E102 WeakPolarHBondContact O-CG 3.4Å; E98-E102 PolarHBondContact O-N 2.73Å; F99-E102 PolarHBondContact O-N 2.87Å; Q100-E102 PolarHBondContact O-N 3.37Å; E102-N104 PolarHBondContact O-N 3.04Å
103	N	94.6	Very high	96	Very high	74 Å²	74	48.1 Å²	48.1	40%	0.396	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	22.9	173.1	-69.2	-81.9	0	0	0	112.8	F99 Q100 K101 F105 A106	F99-N103 PolarHBondContact O-N 2.88Å; F99-N103 VanDerWaalsContact O-N 3.15Å; F99-N103 PolarHBondContact O-ND2 3.05Å; Q100-N103 CarbonylContact O-C 3.23Å; Q100-N103 VanDerWaalsContact O-C 3.23Å; Q100-N103 WeakPolarHBondContact O-CA 3.42Å; Q100-N103 PolarHBondContact O-N 3.26Å; Q100-N103 VanDerWaalsContact O-N 3.1Å; K101-N103 PolarHBondContact O-N 2.88Å; N103-F105 PolarHBondContact O-N 3.08Å; N103-F105 VanDerWaalsContact O-N 3.12Å; N103-A106 VanDerWaalsContact O-CB 3.27Å; N103-A106 WeakPolarHBondContact O-CB 3.42Å; N103-A106 PolarHBondContact O-N 3Å
104	N	95.8	Very high	96.1	Very high	139 Å²	139	43.3 Å²	43.3	74%	0.743	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	31.1	178.9	-59.6	-63.9	0	0	0	114.3	Q100 K101 E102 A106	Q100-N104 PolarHBondContact O-N 2.88Å; K101-N104 PolarHBondContact O-N 3.18Å; E102-N104 PolarHBondContact O-N 3.04Å; N104-A106 PolarHBondContact O-N 3.06Å
105	F	94.9	Very high	96.3	Very high	28 Å²	28	42 Å²	42	12%	0.123	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	33.4	-173.7	-56.7	-82.6	0	0	0	113.1	F97 Q100 K101 N103 G211 M423 I427	F97-F105 HydrophobicContact CE2-CE1 4.2Å; F97-F105 HydrophobicContact CE2-CZ 4.5Å; F97-F105 HydrophobicContact CZ-CZ 4.46Å; Q100-F105 HydrophobicContact CB-CD1 3.88Å; Q100-F105 HydrophobicContact CB-CE1 4.28Å; Q100-F105 WeakPolarHBondContact O-CA 3.5Å; Q100-F105 PolarHBondContact O-N 3.08Å; K101-F105 HydrophobicContact CB-CE1 4.05Å; K101-F105 HydrophobicContact CB-CE2 4.08Å; K101-F105 HydrophobicContact CB-CZ 3.61Å; K101-F105 HydrophobicContact CG-CE2 4.09Å; K101-F105 HydrophobicContact CG-CZ 3.89Å; N103-F105 PolarHBondContact O-N 3.08Å; N103-F105 VanDerWaalsContact O-N 3.12Å; F105-G211 WeakPolarHBondContact CB-O 3.25Å; F105-G211 VanDerWaalsContact O-CA 3.27Å; F105-G211 WeakPolarHBondContact O-CA 3.23Å; F105-M423 HydrophobicContact CD2-CE 3.82Å; F105-M423 HydrophobicContact CD2-SD 3.6Å; F105-M423 HydrophobicContact CE2-CE 3.82Å; F105-M423 HydrophobicContact CE2-SD 3.8Å; F105-I427 HydrophobicContact CE2-CD1 4.47Å; F105-I427 HydrophobicContact CZ-CD1 4.48Å
106	A	93.6	Very high	96.4	Very high	50 Å²	50	40.4 Å²	40.4	41%	0.413	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-62	138.9	172.2	0	0	0	0	0	110.3	N103 N104 L108	N103-A106 VanDerWaalsContact O-CB 3.27Å; N103-A106 WeakPolarHBondContact O-CB 3.42Å; N103-A106 PolarHBondContact O-N 3Å; N104-A106 PolarHBondContact O-N 3.06Å; A106-L108 PolarHBondContact O-N 3.05Å
107	P	93.4	Very high	96.4	Very high	60 Å²	60	40.4 Å²	40.4	39%	0.39	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-49.3	126.9	171.1	-35	40.9	0	0	0	113.3	H209 N295	P107-H209 WeakPolarHBondContact CA-O 3.43Å; P107-H209 WeakPolarHBondContact CB-O 3.32Å; P107-N295 HydrophobicContact CG-CB 4.48Å; P107-N295 WeakPolarHBondContact CG-ND2 3.22Å; P107-N295 WeakPolarHBondContact CG-OD1 3.49Å
108	L	94.9	Very high	96.5	Very high	11 Å²	11	39.9 Å²	39.9	6%	0.058	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-78.2	135.6	171.1	-82	76.7	0	0	0	110.5	F99 Q100 A106 I113 F152 L208 H209	F99-L108 HydrophobicContact CE1-CD1 4.48Å; F99-L108 HydrophobicContact CE1-CD2 4.09Å; Q100-L108 HydrophobicContact CG-CD1 3.96Å; A106-L108 PolarHBondContact O-N 3.05Å; L108-I113 HydrophobicContact CB-CD1 4.12Å; L108-I113 HydrophobicContact CB-CG1 3.89Å; L108-I113 WeakPolarHBondContact O-CD1 3.21Å; L108-F152 HydrophobicContact CD2-CE1 3.84Å; L108-L208 WeakPolarHBondContact CB-O 3.29Å; L108-L208 HydrophobicContact CD2-CD2 4.36Å; L108-L208 PolarHBondContact N-O 2.89Å; L108-H209 PolarHBondContact O-ND1 3.04Å
109	P	94.6	Very high	96.6	Very high	48 Å²	48	37 Å²	37	31%	0.312	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-59.2	143.7	170.6	-25.2	32.2	0	0	0	113	R111 H112 I113	P109-R111 HydrophobicContact CB-CG 4.27Å; P109-R111 PolarHBondContact O-N 2.96Å; P109-R111 VanDerWaalsContact O-N 3.12Å; P109-H112 PolarHBondContact O-N 2.86Å; P109-I113 PolarHBondContact O-N 2.98Å
110	A	96.4	Very high	96.6	Very high	4 Å²	4	36 Å²	36	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-54.5	-35.9	-175.9	0	0	0	0	0	113.6	H112 I113 R114 M320 F346	A110-H112 VanDerWaalsContact C-N 3.3Å; A110-H112 PolarHBondContact O-N 2.93Å; A110-I113 PolarHBondContact O-N 3.2Å; A110-R114 PolarHBondContact O-N 2.77Å; A110-M320 HydrophobicContact CB-SD 3.99Å; A110-F346 HydrophobicContact CB-CE2 4.33Å
111	R	96.4	Very high	96.8	Very high	67 Å²	67	36 Å²	36	25%	0.253	19%	0.19	S	C	.	.	H	α-helix	trans	-59.4	-34.7	175.3	72	-178.6	-172.6	-166.9	-1.6	114.1	P109 T115 L364 S365	P109-R111 HydrophobicContact CB-CG 4.27Å; P109-R111 PolarHBondContact O-N 2.96Å; P109-R111 VanDerWaalsContact O-N 3.12Å; R111-T115 PolarHBondContact O-N 2.8Å; R111-T115 PolarHBondContact O-OG1 2.74Å; R111-L364 VanDerWaalsContact NH1-CD1 3.28Å; R111-S365 WeakPolarHBondContact CB-OG 3.43Å
112	H	97.6	Very high	96.9	Very high	42 Å²	42	36 Å²	36	19%	0.194	19%	0.188	C	C	.	.	H	α-helix	trans	-79.4	-39.5	179.2	-64.8	-57.4	0	0	0	110.4	P109 A110 R114 T115 V116 F152	P109-H112 PolarHBondContact O-N 2.86Å; A110-H112 VanDerWaalsContact C-N 3.3Å; A110-H112 PolarHBondContact O-N 2.93Å; H112-R114 VanDerWaalsContact C-N 3.31Å; H112-R114 PolarHBondContact O-N 2.83Å; H112-T115 WeakPolarHBondContact O-CB 3.35Å; H112-T115 PolarHBondContact O-N 2.76Å; H112-V116 PolarHBondContact O-N 2.9Å; H112-F152 HydrophobicContact CB-CD1 4.23Å; H112-F152 HydrophobicContact CB-CD2 4.2Å; H112-F152 HydrophobicContact CB-CE1 3.98Å; H112-F152 HydrophobicContact CB-CE2 3.96Å; H112-F152 HydrophobicContact CB-CG 4.33Å; H112-F152 HydrophobicContact CB-CZ 3.82Å; H112-F152 AromaticContact CE1-CE2 3.64Å; H112-F152 AromaticContact CG-CD2 4Å; H112-F152 AromaticContact CG-CE2 3.51Å; H112-F152 AromaticContact CG-CZ 3.72Å; H112-F152 AromaticContact ND1-CD2 3.37Å; H112-F152 WeakPolarHBondContact ND1-CD2 3.41Å; H112-F152 AromaticContact ND1-CE2 3.1Å; H112-F152 WeakPolarHBondContact ND1-CE2 3.47Å; H112-F152 AromaticContact ND1-CZ 3.82Å
113	I	98.6	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-43.4	172.4	-58.8	175.5	0	0	0	110	L108 P109 A110 T115 V116 T117 M205 L208 H209 M320	L108-I113 HydrophobicContact CB-CD1 4.12Å; L108-I113 HydrophobicContact CB-CG1 3.89Å; L108-I113 WeakPolarHBondContact O-CD1 3.21Å; P109-I113 PolarHBondContact O-N 2.98Å; A110-I113 PolarHBondContact O-N 3.2Å; I113-T115 VanDerWaalsContact C-N 3.34Å; I113-T115 PolarHBondContact O-N 3.09Å; I113-V116 PolarHBondContact O-N 3.46Å; I113-T117 WeakPolarHBondContact O-CB 3.3Å; I113-T117 PolarHBondContact O-N 3.28Å; I113-T117 PolarHBondContact O-OG1 2.88Å; I113-M205 HydrophobicContact CG2-CB 4.22Å; I113-M205 HydrophobicContact CG2-CE 4.37Å; I113-M205 HydrophobicContact CG2-CG 4.07Å; I113-L208 HydrophobicContact CD1-CB 3.89Å; I113-L208 HydrophobicContact CG1-CB 3.92Å; I113-L208 HydrophobicContact CG1-CD1 4.47Å; I113-L208 HydrophobicContact CG2-CD1 4.49Å; I113-H209 HydrophobicContact CD1-CB 3.67Å; I113-M320 HydrophobicContact CB-SD 3.95Å; I113-M320 HydrophobicContact CD1-CE 4.16Å; I113-M320 HydrophobicContact CD1-SD 3.91Å; I113-M320 HydrophobicContact CG2-SD 3.77Å
114	R	98.5	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-52	-50.6	172.9	176.1	-170.6	-65.9	95.6	46.9	112.1	A110 H112 V116 T117 L118 D316 F346 S365	A110-R114 PolarHBondContact O-N 2.77Å; H112-R114 VanDerWaalsContact C-N 3.31Å; H112-R114 PolarHBondContact O-N 2.83Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 3.12Å; R114-T117 PolarHBondContact O-N 3.18Å; R114-L118 WeakPolarHBondContact O-CB 3.39Å; R114-L118 PolarHBondContact O-N 3.09Å; R114-D316 IonicContact CZ-OD1 3.88Å; R114-D316 IonicContact CZ-OD2 3.69Å; R114-D316 IonicContact NH1-OD1 3.39Å; R114-D316 IonicContact NH1-OD2 2.86Å; R114-D316 PolarHBondContact NH1-OD2 3.2Å; R114-D316 IonicContact NH2-OD1 2.68Å; R114-D316 PolarHBondContact NH2-OD1 2.71Å; R114-D316 IonicContact NH2-OD2 2.84Å; R114-D316 PolarHBondContact NH2-OD2 3.31Å; R114-F346 HydrophobicContact CB-CE1 3.87Å; R114-F346 HydrophobicContact CB-CE2 4.21Å; R114-F346 HydrophobicContact CB-CZ 3.59Å; R114-F346 HydrophobicContact CG-CE1 4.38Å; R114-F346 HydrophobicContact CG-CZ 4.44Å; R114-F346 PolarHBondContact NE-O 3.13Å; R114-S365 PolarHBondContact NH1-OG 2.84Å
115	T	98.1	Very high	97.3	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-58.4	-43.3	-177.9	-59.7	0	0	0	0	111.4	R111 H112 I113 Q119 F152 S372	R111-T115 PolarHBondContact O-N 2.8Å; R111-T115 PolarHBondContact O-OG1 2.74Å; H112-T115 WeakPolarHBondContact O-CB 3.35Å; H112-T115 PolarHBondContact O-N 2.76Å; I113-T115 VanDerWaalsContact C-N 3.34Å; I113-T115 PolarHBondContact O-N 3.09Å; T115-Q119 WeakPolarHBondContact O-CG 3.43Å; T115-Q119 PolarHBondContact O-NE2 2.7Å; T115-F152 HydrophobicContact CG2-CB 3.89Å; T115-S372 VanDerWaalsContact CG2-CB 3.41Å; T115-S372 VanDerWaalsContact CG2-OG 3.24Å; T115-S372 WeakPolarHBondContact CG2-OG 3.25Å
116	V	98.8	Very high	97.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-52.6	174.3	173	0	0	0	0	110.8	L96 H112 I113 R114 L118 Q119 V120 I142 F152 V154 L208	L96-V116 HydrophobicContact CD1-CG1 3.73Å; H112-V116 PolarHBondContact O-N 2.9Å; I113-V116 PolarHBondContact O-N 3.46Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 3.12Å; V116-L118 VanDerWaalsContact C-N 3.31Å; V116-L118 PolarHBondContact O-N 3.1Å; V116-Q119 PolarHBondContact O-N 3.08Å; V116-Q119 VanDerWaalsContact O-N 3.11Å; V116-V120 HydrophobicContact CG1-CG2 4.19Å; V116-V120 WeakPolarHBondContact O-CG2 3.28Å; V116-V120 PolarHBondContact O-N 3.34Å; V116-I142 HydrophobicContact CG1-CG2 4.37Å; V116-F152 HydrophobicContact CG2-CB 4.2Å; V116-F152 HydrophobicContact CG2-CD1 4.11Å; V116-V154 HydrophobicContact CG1-CG1 4.44Å; V116-V154 HydrophobicContact CG1-CG2 4.23Å; V116-V154 HydrophobicContact CG2-CG1 4.12Å; V116-L208 HydrophobicContact CG1-CD1 4.46Å
117	T	98.8	Very high	97.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-55.7	-43.2	-178.2	-63.5	0	0	0	0	112.2	I113 R114 Q119 V120 L121 L201 M205 L323 M327 V347	I113-T117 WeakPolarHBondContact O-CB 3.3Å; I113-T117 PolarHBondContact O-N 3.28Å; I113-T117 PolarHBondContact O-OG1 2.88Å; R114-T117 PolarHBondContact O-N 3.18Å; T117-Q119 VanDerWaalsContact C-N 3.32Å; T117-Q119 PolarHBondContact O-N 2.73Å; T117-V120 PolarHBondContact O-N 2.95Å; T117-L121 HydrophobicContact CG2-CD1 3.73Å; T117-L121 HydrophobicContact CG2-CG 4.14Å; T117-L121 VanDerWaalsContact O-CB 3.26Å; T117-L121 WeakPolarHBondContact O-CB 3.49Å; T117-L121 WeakPolarHBondContact O-CG 3.24Å; T117-L121 PolarHBondContact O-N 2.97Å; T117-L201 HydrophobicContact CG2-CD2 4.49Å; T117-M205 HydrophobicContact CG2-CE 4.07Å; T117-M205 HydrophobicContact CG2-SD 3.6Å; T117-M205 WeakPolarHBondContact OG1-CG 3.26Å; T117-M205 PolarHBondContact OG1-SD 2.84Å; T117-M205 VanDerWaalsContact OG1-SD 3.36Å; T117-L323 HydrophobicContact CG2-CD2 4.29Å; T117-M327 HydrophobicContact CG2-CE 4.38Å; T117-V347 HydrophobicContact CG2-CG2 4.28Å
118	L	98.6	Very high	97.9	Very high	20 Å²	20	22.4 Å²	22.4	11%	0.105	10%	0.101	C	C	.	.	H	α-helix	trans	-55.2	-47.3	177.5	171	62.2	0	0	0	111.7	R114 V116 R122 L342 V347 L373	R114-L118 WeakPolarHBondContact O-CB 3.39Å; R114-L118 PolarHBondContact O-N 3.09Å; V116-L118 VanDerWaalsContact C-N 3.31Å; V116-L118 PolarHBondContact O-N 3.1Å; L118-R122 WeakPolarHBondContact O-CG 3.38Å; L118-R122 PolarHBondContact O-N 3.15Å; L118-R122 VanDerWaalsContact O-N 3.11Å; L118-L342 HydrophobicContact CD1-CD2 3.77Å; L118-V347 HydrophobicContact CB-CG1 4.18Å; L118-V347 HydrophobicContact CD1-CG1 3.63Å; L118-V347 HydrophobicContact CG-CG1 4.48Å; L118-L373 HydrophobicContact CD2-CD1 4.17Å
119	Q	98.7	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-73.2	-42.3	-176.1	-66.2	174.3	79	0	0	111.4	H71 T115 V116 T117 L121 R122 A123 F152 V154 L373	H71-Q119 HydrophobicContact CB-CB 4.19Å; H71-Q119 WeakPolarHBondContact CB-O 3.49Å; H71-Q119 VanDerWaalsContact CE1-CG 3.43Å; H71-Q119 WeakPolarHBondContact CE1-CG 3.42Å; H71-Q119 PolarHBondContact CE1-OE1 2.77Å; H71-Q119 PolarHBondContact ND1-OE1 3.23Å; T115-Q119 WeakPolarHBondContact O-CG 3.43Å; T115-Q119 PolarHBondContact O-NE2 2.7Å; V116-Q119 PolarHBondContact O-N 3.08Å; V116-Q119 VanDerWaalsContact O-N 3.11Å; T117-Q119 VanDerWaalsContact C-N 3.32Å; T117-Q119 PolarHBondContact O-N 2.73Å; Q119-L121 VanDerWaalsContact C-N 3.32Å; Q119-L121 PolarHBondContact O-N 3.39Å; Q119-R122 WeakPolarHBondContact O-CB 3.12Å; Q119-R122 PolarHBondContact O-N 2.82Å; Q119-A123 PolarHBondContact O-N 3.02Å; Q119-F152 PolarHBondContact NE2-O 2.86Å; Q119-V154 HydrophobicContact CB-CG2 3.68Å; Q119-V154 HydrophobicContact CG-CG2 4.45Å; Q119-V154 PolarHBondContact OE1-O 3.13Å; Q119-L373 HydrophobicContact CG-CD2 4.11Å
120	V	98.9	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-38	175.5	-177.3	0	0	0	0	110.9	V116 T117 R122 A123 L124 L137 I142 V154 V156 L201	V116-V120 HydrophobicContact CG1-CG2 4.19Å; V116-V120 WeakPolarHBondContact O-CG2 3.28Å; V116-V120 PolarHBondContact O-N 3.34Å; T117-V120 PolarHBondContact O-N 2.95Å; V120-R122 VanDerWaalsContact C-N 3.33Å; V120-R122 PolarHBondContact O-N 2.77Å; V120-A123 WeakPolarHBondContact O-CB 3.24Å; V120-A123 PolarHBondContact O-N 3.25Å; V120-L124 HydrophobicContact CG1-CD1 4.45Å; V120-L124 HydrophobicContact CG1-CG 4.34Å; V120-L124 WeakPolarHBondContact O-CG 3.47Å; V120-L124 PolarHBondContact O-N 2.86Å; V120-L137 HydrophobicContact CG1-CD1 4.22Å; V120-L137 HydrophobicContact CG1-CD2 3.99Å; V120-I142 HydrophobicContact CG2-CD1 4.09Å; V120-I142 HydrophobicContact CG2-CG1 4.3Å; V120-I142 HydrophobicContact CG2-CG2 4Å; V120-V154 HydrophobicContact CG2-CG2 4.18Å; V120-V156 HydrophobicContact CG1-CG2 4.15Å; V120-V156 HydrophobicContact CG2-CG2 4.48Å; V120-L201 HydrophobicContact CB-CD1 4.1Å; V120-L201 HydrophobicContact CB-CD2 4.33Å; V120-L201 HydrophobicContact CG1-CD1 3.85Å; V120-L201 HydrophobicContact CG1-CD2 4.04Å; V120-L201 HydrophobicContact CG1-CG 4.48Å
121	L	98.9	Very high	98	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-35.9	173.9	-77.9	174.3	0	0	0	113.1	T117 Q119 L124 A125 L201 M327 P338 A341 L342 V347	T117-L121 HydrophobicContact CG2-CD1 3.73Å; T117-L121 HydrophobicContact CG2-CG 4.14Å; T117-L121 VanDerWaalsContact O-CB 3.26Å; T117-L121 WeakPolarHBondContact O-CB 3.49Å; T117-L121 WeakPolarHBondContact O-CG 3.24Å; T117-L121 PolarHBondContact O-N 2.97Å; Q119-L121 VanDerWaalsContact C-N 3.32Å; Q119-L121 PolarHBondContact O-N 3.39Å; L121-L124 PolarHBondContact O-N 3.46Å; L121-A125 WeakPolarHBondContact O-CB 3.21Å; L121-A125 PolarHBondContact O-N 3.13Å; L121-L201 HydrophobicContact CD2-CD2 3.75Å; L121-L201 HydrophobicContact CG-CD2 3.85Å; L121-M327 HydrophobicContact CD1-CE 4.22Å; L121-M327 HydrophobicContact CD2-CE 3.87Å; L121-M327 HydrophobicContact CG-CE 4.36Å; L121-P338 HydrophobicContact CD2-CB 4.41Å; L121-A341 HydrophobicContact CD1-CB 3.71Å; L121-A341 HydrophobicContact CD2-CB 3.64Å; L121-A341 HydrophobicContact CG-CB 4.34Å; L121-L342 HydrophobicContact CB-CD2 3.58Å; L121-L342 HydrophobicContact CB-CG 3.92Å; L121-L342 HydrophobicContact CD1-CD2 4.32Å; L121-V347 HydrophobicContact CD1-CG2 3.92Å
122	R	98.4	Very high	98.1	Very high	81 Å²	81	27 Å²	27	31%	0.306	13%	0.129	S	C	.	.	H	α-helix	trans	-63.7	-43.6	171.9	-75.6	176.8	175.8	-178.2	-1.3	111.3	L118 Q119 V120 A125 R126 L342	L118-R122 WeakPolarHBondContact O-CG 3.38Å; L118-R122 PolarHBondContact O-N 3.15Å; L118-R122 VanDerWaalsContact O-N 3.11Å; Q119-R122 WeakPolarHBondContact O-CB 3.12Å; Q119-R122 PolarHBondContact O-N 2.82Å; V120-R122 VanDerWaalsContact C-N 3.33Å; V120-R122 PolarHBondContact O-N 2.77Å; R122-A125 PolarHBondContact O-N 3.39Å; R122-R126 WeakPolarHBondContact O-CG 3.46Å; R122-R126 PolarHBondContact O-N 3.42Å; R122-L342 HydrophobicContact CG-CD1 4.45Å; R122-L342 HydrophobicContact CG-CD2 4.08Å
123	A	98.7	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.4	-51.7	173.5	0	0	0	0	0	111.3	A70 H71 V72 Q119 V120 A125 R126 L127 V156	A70-A123 WeakPolarHBondContact O-CA 3.24Å; A70-A123 VanDerWaalsContact O-CB 3.27Å; A70-A123 WeakPolarHBondContact O-CB 3.3Å; A70-A123 PolarHBondContact O-N 2.74Å; H71-A123 HydrophobicContact CB-CB 4.4Å; V72-A123 HydrophobicContact CG2-CB 3.99Å; Q119-A123 PolarHBondContact O-N 3.02Å; V120-A123 WeakPolarHBondContact O-CB 3.24Å; V120-A123 PolarHBondContact O-N 3.25Å; A123-A125 VanDerWaalsContact C-N 3.28Å; A123-A125 PolarHBondContact O-N 2.93Å; A123-R126 PolarHBondContact O-N 3.26Å; A123-R126 VanDerWaalsContact O-N 3.12Å; A123-L127 WeakPolarHBondContact O-CG 3.44Å; A123-L127 PolarHBondContact O-N 3.35Å; A123-V156 HydrophobicContact CB-CB 4.39Å; A123-V156 HydrophobicContact CB-CG2 3.75Å
124	L	98.8	Very high	98.1	Very high	7 Å²	7	25 Å²	25	4%	0.037	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-33.1	179	-64.4	-174.9	0	0	0	113	V120 L121 L127 K128 L137 D197 V198 L201 P338	V120-L124 HydrophobicContact CG1-CD1 4.45Å; V120-L124 HydrophobicContact CG1-CG 4.34Å; V120-L124 WeakPolarHBondContact O-CG 3.47Å; V120-L124 PolarHBondContact O-N 2.86Å; L121-L124 PolarHBondContact O-N 3.46Å; L124-L127 HydrophobicContact CD2-CD1 4.39Å; L124-K128 WeakPolarHBondContact O-CB 3.44Å; L124-K128 PolarHBondContact O-N 2.91Å; L124-L137 HydrophobicContact CD1-CD2 4.18Å; L124-L137 HydrophobicContact CD2-CD2 4.37Å; L124-D197 HydrophobicContact CD1-CB 4.23Å; L124-D197 HydrophobicContact CD2-CB 3.73Å; L124-V198 HydrophobicContact CD1-CG2 4.4Å; L124-L201 HydrophobicContact CD1-CB 4.47Å; L124-L201 HydrophobicContact CD1-CD2 4.12Å; L124-P338 HydrophobicContact CB-CB 4.04Å; L124-P338 HydrophobicContact CB-CG 3.87Å
125	A	98.4	Very high	98.1	Very high	10 Å²	10	25.1 Å²	25.1	8%	0.083	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-44.6	173.9	0	0	0	0	0	111.7	L121 R122 A123 K128 E129 P338 L342	L121-A125 WeakPolarHBondContact O-CB 3.21Å; L121-A125 PolarHBondContact O-N 3.13Å; R122-A125 PolarHBondContact O-N 3.39Å; A123-A125 VanDerWaalsContact C-N 3.28Å; A123-A125 PolarHBondContact O-N 2.93Å; A125-K128 WeakPolarHBondContact O-CB 3.26Å; A125-K128 PolarHBondContact O-N 3.27Å; A125-E129 WeakPolarHBondContact O-CG 3.19Å; A125-E129 PolarHBondContact O-N 3.25Å; A125-E129 VanDerWaalsContact O-N 3.12Å; A125-P338 HydrophobicContact CB-CB 4.11Å; A125-L342 HydrophobicContact CB-CD1 4.3Å
126	R	98	Very high	98	Very high	96 Å²	96	25.6 Å²	25.6	36%	0.362	12%	0.123	S	C	.	.	H	α-helix	trans	-66.4	-40.6	175.5	-67.1	-54.6	-156.5	175.3	6.1	112.8	L65 A70 R122 A123 K128 E129 L130	L65-R126 HydrophobicContact CD1-CB 3.9Å; A70-R126 HydrophobicContact CB-CB 4.44Å; A70-R126 HydrophobicContact CB-CG 4.01Å; R122-R126 WeakPolarHBondContact O-CG 3.46Å; R122-R126 PolarHBondContact O-N 3.42Å; A123-R126 PolarHBondContact O-N 3.26Å; A123-R126 VanDerWaalsContact O-N 3.12Å; R126-K128 VanDerWaalsContact C-N 3.3Å; R126-K128 PolarHBondContact O-N 3Å; R126-E129 WeakPolarHBondContact CD-OE2 3.35Å; R126-E129 IonicContact CZ-OE2 2.58Å; R126-E129 IonicContact NE-OE2 3.07Å; R126-E129 IonicContact NH1-OE1 3.81Å; R126-E129 IonicContact NH1-OE2 2.81Å; R126-E129 PolarHBondContact NH1-OE2 2.96Å; R126-E129 WeakPolarHBondContact O-CB 3.45Å; R126-E129 PolarHBondContact O-N 2.97Å; R126-L130 PolarHBondContact O-N 2.99Å
127	L	98.1	Very high	98	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-40.1	175.6	-65.7	-175.5	0	0	0	111.4	V62 A123 L124 E129 L130 A131 I132 H134 F159	V62-L127 HydrophobicContact CG1-CD2 3.76Å; A123-L127 WeakPolarHBondContact O-CG 3.44Å; A123-L127 PolarHBondContact O-N 3.35Å; L124-L127 HydrophobicContact CD2-CD1 4.39Å; L127-E129 PolarHBondContact O-N 3.14Å; L127-L130 CarbonylContact O-C 3.54Å; L127-L130 PolarHBondContact O-N 3.3Å; L127-L130 VanDerWaalsContact O-N 3.15Å; L127-A131 PolarHBondContact O-N 3.23Å; L127-A131 VanDerWaalsContact O-N 3.13Å; L127-I132 HydrophobicContact CB-CB 4.24Å; L127-I132 HydrophobicContact CD2-CB 4.26Å; L127-I132 HydrophobicContact CD2-CD1 4.38Å; L127-I132 HydrophobicContact CD2-CG2 4.15Å; L127-I132 PolarHBondContact O-N 3.42Å; L127-H134 HydrophobicContact CD1-CB 4.13Å; L127-F159 HydrophobicContact CD1-CE1 4.17Å; L127-F159 HydrophobicContact CD2-CE1 3.72Å; L127-F159 HydrophobicContact CD2-CZ 4.17Å
128	K	97	Very high	98	Very high	79 Å²	79	27.1 Å²	27.1	34%	0.343	13%	0.129	S	C	.	.	H	α-helix	trans	-59.8	-43.1	173.5	175.4	173.7	176.1	142.2	0	112.6	L124 A125 R126 L130 A131 E194	L124-K128 WeakPolarHBondContact O-CB 3.44Å; L124-K128 PolarHBondContact O-N 2.91Å; A125-K128 WeakPolarHBondContact O-CB 3.26Å; A125-K128 PolarHBondContact O-N 3.27Å; R126-K128 VanDerWaalsContact C-N 3.3Å; R126-K128 PolarHBondContact O-N 3Å; K128-L130 PolarHBondContact O-N 3.24Å; K128-A131 PolarHBondContact O-N 2.88Å; K128-E194 HydrophobicContact CB-CG 4.09Å; K128-E194 HydrophobicContact CD-CG 4.01Å; K128-E194 WeakPolarHBondContact CD-OE1 3.43Å; K128-E194 VanDerWaalsContact CE-OE1 3.3Å; K128-E194 WeakPolarHBondContact CE-OE1 3.5Å; K128-E194 HydrophobicContact CG-CG 3.94Å; K128-E194 IonicContact NZ-OE1 3.77Å; K128-E194 PolarHBondContact NZ-OE1 2.9Å
129	E	96.7	Very high	98	Very high	122 Å²	122	26.1 Å²	26.1	57%	0.57	12%	0.124	S	C	*	.	H	α-helix	trans	-58.7	-34.5	175.9	-70.9	165	-168.5	0	0	111.8	A125 R126 L127 A131	A125-E129 WeakPolarHBondContact O-CG 3.19Å; A125-E129 PolarHBondContact O-N 3.25Å; A125-E129 VanDerWaalsContact O-N 3.12Å; R126-E129 WeakPolarHBondContact CD-OE2 3.35Å; R126-E129 IonicContact CZ-OE2 2.58Å; R126-E129 IonicContact NE-OE2 3.07Å; R126-E129 IonicContact NH1-OE1 3.81Å; R126-E129 IonicContact NH1-OE2 2.81Å; R126-E129 PolarHBondContact NH1-OE2 2.96Å; R126-E129 WeakPolarHBondContact O-CB 3.45Å; R126-E129 PolarHBondContact O-N 2.97Å; L127-E129 PolarHBondContact O-N 3.14Å; E129-A131 VanDerWaalsContact C-N 3.29Å
130	L	96.4	Very high	97.9	Very high	63 Å²	63	29.3 Å²	29.3	33%	0.33	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	4.9	175.6	-61.3	177.1	0	0	0	113.8	V62 L65 R126 L127 K128 I132	V62-L130 HydrophobicContact CG1-CD1 4.15Å; L65-L130 HydrophobicContact CD1-CD1 3.84Å; L65-L130 HydrophobicContact CD2-CD1 4.28Å; L65-L130 HydrophobicContact CG-CD1 4.14Å; R126-L130 PolarHBondContact O-N 2.99Å; L127-L130 CarbonylContact O-C 3.54Å; L127-L130 PolarHBondContact O-N 3.3Å; L127-L130 VanDerWaalsContact O-N 3.15Å; K128-L130 PolarHBondContact O-N 3.24Å; L130-I132 HydrophobicContact CB-CD1 3.79Å; L130-I132 HydrophobicContact CB-CG1 3.92Å; L130-I132 HydrophobicContact CD1-CD1 4.04Å; L130-I132 PolarHBondContact O-N 3.13Å
131	A	96.9	Very high	97.8	Very high	40 Å²	40	29.8 Å²	29.8	33%	0.331	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	32.1	-171.9	0	0	0	0	0	113.7	L127 K128 E129 I164 F165	L127-A131 PolarHBondContact O-N 3.23Å; L127-A131 VanDerWaalsContact O-N 3.13Å; K128-A131 PolarHBondContact O-N 2.88Å; E129-A131 VanDerWaalsContact C-N 3.29Å; A131-I164 CarbonylContact O-C 3.45Å; A131-I164 WeakPolarHBondContact O-CA 3.15Å; A131-F165 HydrophobicContact CB-CB 4.46Å; A131-F165 WeakPolarHBondContact O-CB 3.33Å; A131-F165 PolarHBondContact O-N 3.31Å
132	I	97.7	Very high	97.8	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.6	178.1	-64.2	172.4	0	0	0	109.7	L58 C61 V62 L127 L130 A162 S163	L58-I132 HydrophobicContact CD1-CD1 4.08Å; L58-I132 HydrophobicContact CD1-CG1 3.99Å; L58-I132 HydrophobicContact CD1-CG2 4.19Å; C61-I132 HydrophobicContact CB-CD1 3.94Å; V62-I132 HydrophobicContact CG1-CD1 3.77Å; L127-I132 HydrophobicContact CB-CB 4.24Å; L127-I132 HydrophobicContact CD2-CB 4.26Å; L127-I132 HydrophobicContact CD2-CD1 4.38Å; L127-I132 HydrophobicContact CD2-CG2 4.15Å; L127-I132 PolarHBondContact O-N 3.42Å; L130-I132 HydrophobicContact CB-CD1 3.79Å; L130-I132 HydrophobicContact CB-CG1 3.92Å; L130-I132 HydrophobicContact CD1-CD1 4.04Å; L130-I132 PolarHBondContact O-N 3.13Å; I132-A162 HydrophobicContact CG2-CB 4.28Å; I132-S163 WeakPolarHBondContact CA-O 3.09Å
133	I	98	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.5	166.1	-50.7	-175.2	0	0	0	107	A135 A162 S163 F165 V168 F192 E194 V196	I133-A135 HydrophobicContact CG2-CB 4.07Å; I133-A162 CarbonylContact O-C 3.59Å; I133-A162 WeakPolarHBondContact O-CA 3.49Å; I133-A162 WeakPolarHBondContact O-CB 3.32Å; I133-S163 PolarHBondContact N-O 3.49Å; I133-S163 PolarHBondContact O-N 2.86Å; I133-F165 HydrophobicContact CD1-CB 4.08Å; I133-F165 HydrophobicContact CD1-CD2 3.65Å; I133-F165 HydrophobicContact CD1-CG 4.23Å; I133-F165 HydrophobicContact CG1-CB 4.14Å; I133-V168 HydrophobicContact CD1-CG2 4.47Å; I133-F192 HydrophobicContact CD1-CD2 4Å; I133-F192 HydrophobicContact CD1-CE2 3.69Å; I133-E194 HydrophobicContact CG1-CB 4.2Å; I133-V196 HydrophobicContact CG2-CG2 3.48Å; I133-V196 VanDerWaalsContact CG2-CG2 3.48Å
134	H	98.3	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.			trans	-67	-43.1	178.8	-174.3	-88.9	0	0	0	111.1	L127 D136 L137 I157 D158 A162 D197	L127-H134 HydrophobicContact CD1-CB 4.13Å; H134-D136 PolarHBondContact CE1-O 3.39Å; H134-D136 VanDerWaalsContact ND1-C 3.3Å; H134-D136 PolarHBondContact ND1-N 3.35Å; H134-D136 PolarHBondContact O-N 3.42Å; H134-L137 PolarHBondContact ND1-N 3.45Å; H134-I157 PolarHBondContact NE2-O 3.03Å; H134-D158 PolarHBondContact NE2-O 3.45Å; H134-A162 WeakPolarHBondContact O-CA 3.48Å; H134-A162 PolarHBondContact O-N 2.86Å; H134-D197 WeakPolarHBondContact CB-OD2 3.41Å; H134-D197 PolarHBondContact N-OD2 2.78Å
135	A	97.2	Very high	97.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	14%	0.142	C	C	.	.			trans	63.6	4.5	171.3	0	0	0	0	0	116.1	I133 I176 Q177 D197	I133-A135 HydrophobicContact CG2-CB 4.07Å; A135-I176 HydrophobicContact CB-CB 4.22Å; A135-I176 HydrophobicContact CB-CD1 4.12Å; A135-Q177 WeakPolarHBondContact O-CA 3.49Å; A135-Q177 WeakPolarHBondContact O-CG 3.47Å; A135-Q177 PolarHBondContact O-N 3.11Å; A135-D197 PolarHBondContact N-OD1 2.86Å
136	D	96.9	Very high	97.4	Very high	14 Å²	14	29.6 Å²	29.6	8%	0.075	15%	0.145	C	C	.	.			trans	-146.7	45.9	167.5	-161.2	36.2	0	0	0	113.1	H134 K138 N141 S178	H134-D136 PolarHBondContact CE1-O 3.39Å; H134-D136 VanDerWaalsContact ND1-C 3.3Å; H134-D136 PolarHBondContact ND1-N 3.35Å; H134-D136 PolarHBondContact O-N 3.42Å; D136-K138 PolarHBondContact O-N 3.41Å; D136-K138 IonicContact OD1-NZ 3.2Å; D136-K138 WeakPolarHBondContact OD2-CE 3.41Å; D136-K138 IonicContact OD2-NZ 3.5Å; D136-K138 PolarHBondContact OD2-NZ 3.46Å; D136-N141 PolarHBondContact O-ND2 3.19Å; D136-N141 PolarHBondContact OD2-ND2 2.86Å; D136-S178 WeakPolarHBondContact OD1-CB 3.46Å; D136-S178 PolarHBondContact OD1-N 2.85Å; D136-S178 PolarHBondContact OD1-OG 3.01Å
137	L	98.5	Very high	97.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.138	C	C	.	.			trans	-75	123.5	177.1	-168.5	73.2	0	0	0	110.5	V120 L124 H134 I142 V156 D197 S200 L201	V120-L137 HydrophobicContact CG1-CD1 4.22Å; V120-L137 HydrophobicContact CG1-CD2 3.99Å; L124-L137 HydrophobicContact CD1-CD2 4.18Å; L124-L137 HydrophobicContact CD2-CD2 4.37Å; H134-L137 PolarHBondContact ND1-N 3.45Å; L137-I142 HydrophobicContact CD1-CD1 4.18Å; L137-I142 HydrophobicContact CD1-CG1 4.02Å; L137-I142 HydrophobicContact CG-CD1 4.43Å; L137-V156 HydrophobicContact CD1-CG1 4.05Å; L137-V156 HydrophobicContact CD1-CG2 4.24Å; L137-D197 WeakPolarHBondContact CD2-O 3.44Å; L137-S200 WeakPolarHBondContact O-CB 3.04Å; L137-L201 HydrophobicContact CD2-CB 3.91Å
138	K	98.3	Very high	96.8	Very high	32 Å²	32	32.9 Å²	32.9	14%	0.139	17%	0.174	C	C	.	.	S	Bend	trans	-161.7	166.3	-177.1	61	-173.6	-178.4	-152.5	0	110.3	D136 E140 N141 I142 S178 Y181	D136-K138 PolarHBondContact O-N 3.41Å; D136-K138 IonicContact OD1-NZ 3.2Å; D136-K138 WeakPolarHBondContact OD2-CE 3.41Å; D136-K138 IonicContact OD2-NZ 3.5Å; D136-K138 PolarHBondContact OD2-NZ 3.46Å; K138-E140 WeakPolarHBondContact CB-OE2 3.44Å; K138-E140 HydrophobicContact CD-CB 4.43Å; K138-E140 WeakPolarHBondContact CD-OE2 3.22Å; K138-E140 HydrophobicContact CG-CB 4.24Å; K138-E140 VanDerWaalsContact CG-OE2 3.23Å; K138-E140 WeakPolarHBondContact CG-OE2 3.47Å; K138-E140 PolarHBondContact O-N 2.71Å; K138-N141 WeakPolarHBondContact CE-ND2 3.37Å; K138-N141 HydrophobicContact CG-CB 4.09Å; K138-N141 CarbonylContact O-C 3.53Å; K138-N141 PolarHBondContact O-N 3.47Å; K138-I142 PolarHBondContact O-N 3.23Å; K138-S178 WeakPolarHBondContact CD-OG 3.44Å; K138-S178 PolarHBondContact NZ-OG 2.73Å; K138-S178 VanDerWaalsContact NZ-OG 3.12Å; K138-Y181 HydrophobicContact CB-CD2 3.55Å; K138-Y181 HydrophobicContact CB-CE1 4.47Å; K138-Y181 HydrophobicContact CB-CE2 3.41Å; K138-Y181 VanDerWaalsContact CB-CE2 3.41Å; K138-Y181 HydrophobicContact CB-CG 4.14Å; K138-Y181 HydrophobicContact CD-CE2 4.49Å
139	P	98.6	Very high	96.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-56.4	-33.6	-178.3	-25.1	36.5	0	0	0	113.6	L96 F97 N141 I142 Y181 V204	L96-P139 HydrophobicContact CB-CB 4Å; L96-P139 PolarHBondContact N-O 2.9Å; L96-P139 VanDerWaalsContact N-O 3.07Å; F97-P139 HydrophobicContact CB-CB 4.05Å; P139-N141 PolarHBondContact O-N 2.93Å; P139-I142 PolarHBondContact O-N 3.32Å; P139-I142 VanDerWaalsContact O-O 3.11Å; P139-Y181 WeakPolarHBondContact CD-OH 3.28Å; P139-Y181 HydrophobicContact CG-CE1 4.22Å; P139-Y181 WeakPolarHBondContact CG-OH 3.38Å; P139-V204 HydrophobicContact CG-CG1 4.42Å; P139-V204 HydrophobicContact CG-CG2 4.18Å
140	E	96.8	Very high	96.2	Very high	67 Å²	67	32.2 Å²	32.2	31%	0.313	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-65.7	-26.6	176.4	-55.8	94.5	130.6	0	0	112.8	N95 F97 K138	N95-E140 WeakPolarHBondContact CB-O 3.38Å; F97-E140 HydrophobicContact CB-CG 3.91Å; F97-E140 HydrophobicContact CG-CG 4.29Å; K138-E140 WeakPolarHBondContact CB-OE2 3.44Å; K138-E140 HydrophobicContact CD-CB 4.43Å; K138-E140 WeakPolarHBondContact CD-OE2 3.22Å; K138-E140 HydrophobicContact CG-CB 4.24Å; K138-E140 VanDerWaalsContact CG-OE2 3.23Å; K138-E140 WeakPolarHBondContact CG-OE2 3.47Å; K138-E140 PolarHBondContact O-N 2.71Å
141	N	98.2	Very high	96.1	Very high	9 Å²	9	31.6 Å²	31.6	5%	0.048	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-101.5	12	-178.4	-72.1	-11.2	0	0	0	113.2	D136 K138 P139 I157	D136-N141 PolarHBondContact O-ND2 3.19Å; D136-N141 PolarHBondContact OD2-ND2 2.86Å; K138-N141 WeakPolarHBondContact CE-ND2 3.37Å; K138-N141 HydrophobicContact CG-CB 4.09Å; K138-N141 CarbonylContact O-C 3.53Å; K138-N141 PolarHBondContact O-N 3.47Å; P139-N141 PolarHBondContact O-N 2.93Å; N141-I157 HydrophobicContact CB-CG1 4.15Å; N141-I157 WeakPolarHBondContact O-CG1 3.48Å; N141-I157 PolarHBondContact O-N 2.88Å
142	I	98.8	Very high	96	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.6	170.4	-59.2	162.7	0	0	0	106.8	N95 L96 V116 V120 L137 K138 P139 V154 V204	N95-I142 WeakPolarHBondContact CA-O 3.01Å; L96-I142 HydrophobicContact CD1-CB 3.82Å; L96-I142 HydrophobicContact CD1-CD1 4.35Å; L96-I142 HydrophobicContact CD1-CG2 3.52Å; L96-I142 HydrophobicContact CG-CB 4.17Å; L96-I142 HydrophobicContact CG-CG2 4Å; L96-I142 PolarHBondContact N-O 2.91Å; V116-I142 HydrophobicContact CG1-CG2 4.37Å; V120-I142 HydrophobicContact CG2-CD1 4.09Å; V120-I142 HydrophobicContact CG2-CG1 4.3Å; V120-I142 HydrophobicContact CG2-CG2 4Å; L137-I142 HydrophobicContact CD1-CD1 4.18Å; L137-I142 HydrophobicContact CD1-CG1 4.02Å; L137-I142 HydrophobicContact CG-CD1 4.43Å; K138-I142 PolarHBondContact O-N 3.23Å; P139-I142 PolarHBondContact O-N 3.32Å; P139-I142 VanDerWaalsContact O-O 3.11Å; I142-V154 HydrophobicContact CG2-CB 3.82Å; I142-V154 HydrophobicContact CG2-CG1 4Å; I142-V154 HydrophobicContact CG2-CG2 4.13Å; I142-V204 HydrophobicContact CD1-CG1 4.02Å; I142-V204 HydrophobicContact CD1-CG2 4.44Å
143	M	98.4	Very high	96	Very high	33 Å²	33	31.2 Å²	31.2	16%	0.163	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.3	-173.9	-71.1	-164.8	75.7	0	0	112.4	L92 Q94 N95 V154 K155 I157	L92-M143 HydrophobicContact CB-CB 4.07Å; L92-M143 HydrophobicContact CB-CE 3.85Å; L92-M143 HydrophobicContact CB-SD 4.08Å; L92-M143 HydrophobicContact CD1-CB 3.64Å; L92-M143 HydrophobicContact CD1-CG 4.43Å; L92-M143 HydrophobicContact CD1-SD 4.21Å; Q94-M143 CarbonylContact O-C 3.59Å; Q94-M143 WeakPolarHBondContact O-CA 3.48Å; N95-M143 HydrophobicContact CB-CG 3.97Å; M143-V154 CarbonylContact O-C 3.59Å; M143-V154 WeakPolarHBondContact O-CA 3.34Å; M143-K155 PolarHBondContact N-O 2.76Å; M143-K155 PolarHBondContact O-N 2.7Å; M143-I157 HydrophobicContact CB-CG2 4.12Å; M143-I157 HydrophobicContact CG-CD1 3.92Å; M143-I157 HydrophobicContact CG-CG1 4.18Å; M143-I157 HydrophobicContact CG-CG2 3.93Å; M143-I157 HydrophobicContact SD-CD1 3.66Å; M143-I157 HydrophobicContact SD-CG1 4.42Å; M143-I157 HydrophobicContact SD-CG2 4.05Å
144	L	98.2	Very high	96.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	133.9	166.1	-64.3	169.1	0	0	0	109.7	E93 Q94 L96 F99 Q147 F152 R153 V154	E93-L144 PolarHBondContact N-O 3.05Å; Q94-L144 WeakPolarHBondContact O-CB 3.4Å; Q94-L144 PolarHBondContact O-N 3.49Å; L96-L144 HydrophobicContact CD2-CD2 4.17Å; L96-L144 HydrophobicContact CD2-CG 4.2Å; F99-L144 HydrophobicContact CB-CD1 4.12Å; F99-L144 HydrophobicContact CD2-CD1 3.59Å; F99-L144 HydrophobicContact CE2-CD1 4.25Å; F99-L144 HydrophobicContact CG-CD1 3.95Å; L144-Q147 HydrophobicContact CD1-CB 4.41Å; L144-F152 HydrophobicContact CD2-CD1 4.49Å; L144-R153 WeakPolarHBondContact CA-O 3.42Å; L144-V154 HydrophobicContact CD2-CG1 3.83Å
145	V	96.3	Very high	96.1	Very high	32 Å²	32	31.3 Å²	31.3	19%	0.194	16%	0.157	C	C	.	.	S	Bend	trans	-79.7	-55.1	178.3	179	0	0	0	0	110.2	L92 R153 K155	L92-V145 HydrophobicContact CD2-CG1 4.44Å; L92-V145 HydrophobicContact CD2-CG2 4.18Å; V145-R153 HydrophobicContact CB-CB 4.33Å; V145-R153 HydrophobicContact CB-CG 4.06Å; V145-R153 HydrophobicContact CG2-CB 4.47Å; V145-R153 HydrophobicContact CG2-CG 3.84Å; V145-R153 PolarHBondContact N-O 3.23Å; V145-K155 HydrophobicContact CG2-CD 4.16Å; V145-K155 HydrophobicContact CG2-CG 3.85Å
146	D	93.3	Very high	96.1	Very high	29 Å²	29	31.3 Å²	31.3	16%	0.155	16%	0.157	C	C	.	.			trans	-159.9	101.1	177.2	-171.4	-49.9	0	0	0	109.2	E93 T148 R149 C150	E93-D146 WeakPolarHBondContact OE2-CA 3.44Å; D146-T148 PolarHBondContact O-N 3.29Å; D146-T148 PolarHBondContact OD1-N 3.25Å; D146-T148 VanDerWaalsContact OD1-N 3.09Å; D146-R149 HydrophobicContact CB-CB 4.46Å; D146-R149 WeakPolarHBondContact OD1-CB 3.36Å; D146-R149 PolarHBondContact OD1-N 3.46Å; D146-R149 IonicContact OD1-NE 3.32Å; D146-R149 IonicContact OD2-CZ 2.76Å; D146-R149 IonicContact OD2-NE 2.71Å; D146-R149 PolarHBondContact OD2-NE 2.9Å; D146-R149 IonicContact OD2-NH2 3.54Å; D146-R149 PolarHBondContact OD2-NH2 2.96Å; D146-C150 CarbonylContact O-C 3.49Å; D146-C150 WeakPolarHBondContact O-CA 3.27Å; D146-C150 PolarHBondContact O-N 3.32Å
147	Q	92.7	Very high	96.1	Very high	43 Å²	43	32 Å²	32	20%	0.201	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.7	-174.1	-174	60.5	4.4	0	0	112.6	E93 F99 L144 P151	E93-Q147 PolarHBondContact OE2-N 3.12Å; F99-Q147 HydrophobicContact CE2-CG 4.31Å; L144-Q147 HydrophobicContact CD1-CB 4.41Å; Q147-P151 WeakPolarHBondContact O-CG 2.99Å
148	T	89.9	Confident	95.8	Very high	124 Å²	124	33.7 Å²	33.7	76%	0.761	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-48.4	-179.2	-59.9	0	0	0	0	111.3	D146	D146-T148 PolarHBondContact O-N 3.29Å; D146-T148 PolarHBondContact OD1-N 3.25Å; D146-T148 VanDerWaalsContact OD1-N 3.09Å
149	R	89	Confident	95.6	Very high	169 Å²	169	32.2 Å²	32.2	64%	0.638	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-38.7	-176.5	-66.7	-173.5	-71.4	158.4	-0	112.6	D146 D376	D146-R149 HydrophobicContact CB-CB 4.46Å; D146-R149 WeakPolarHBondContact OD1-CB 3.36Å; D146-R149 PolarHBondContact OD1-N 3.46Å; D146-R149 IonicContact OD1-NE 3.32Å; D146-R149 IonicContact OD2-CZ 2.76Å; D146-R149 IonicContact OD2-NE 2.71Å; D146-R149 PolarHBondContact OD2-NE 2.9Å; D146-R149 IonicContact OD2-NH2 3.54Å; D146-R149 PolarHBondContact OD2-NH2 2.96Å; R149-D376 IonicContact NH1-OD2 2.93Å
150	C	91.6	Very high	95.2	Very high	17 Å²	17	32.6 Å²	32.6	12%	0.115	17%	0.166	C	C	.	.	S	Bend	trans	-131.3	70.7	-176.3	-62.4	0	0	0	0	110.7	D146 F152 R153	D146-C150 CarbonylContact O-C 3.49Å; D146-C150 WeakPolarHBondContact O-CA 3.27Å; D146-C150 PolarHBondContact O-N 3.32Å; C150-F152 PolarHBondContact O-N 3Å; C150-R153 HydrophobicContact CB-CB 3.74Å; C150-R153 HydrophobicContact CB-CG 4.5Å; C150-R153 WeakPolarHBondContact O-CB 3.28Å; C150-R153 PolarHBondContact O-N 2.87Å
151	P	93.9	Very high	94.9	Very high	50 Å²	50	31.7 Å²	31.7	33%	0.325	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	130	-173.2	-26	32.6	0	0	0	112.9	Q147 R153	Q147-P151 WeakPolarHBondContact O-CG 2.99Å; P151-R153 PolarHBondContact O-N 2.85Å
152	F	96.5	Very high	94.8	Very high	17 Å²	17	31.3 Å²	31.3	8%	0.075	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	18.3	-178.5	-57.7	-84.2	0	0	0	115.1	F99 L108 H112 T115 V116 Q119 L144 C150 V154	F99-F152 AromaticContact CE1-CE1 3.95Å; F99-F152 HydrophobicContact CE1-CE1 3.95Å; F99-F152 HydrophobicContact CE1-CZ 4.33Å; F99-F152 AromaticContact CZ-CE1 3.93Å; F99-F152 HydrophobicContact CZ-CE1 3.93Å; F99-F152 AromaticContact CZ-CZ 3.97Å; F99-F152 HydrophobicContact CZ-CZ 3.97Å; L108-F152 HydrophobicContact CD2-CE1 3.84Å; H112-F152 HydrophobicContact CB-CD1 4.23Å; H112-F152 HydrophobicContact CB-CD2 4.2Å; H112-F152 HydrophobicContact CB-CE1 3.98Å; H112-F152 HydrophobicContact CB-CE2 3.96Å; H112-F152 HydrophobicContact CB-CG 4.33Å; H112-F152 HydrophobicContact CB-CZ 3.82Å; H112-F152 AromaticContact CE1-CE2 3.64Å; H112-F152 AromaticContact CG-CD2 4Å; H112-F152 AromaticContact CG-CE2 3.51Å; H112-F152 AromaticContact CG-CZ 3.72Å; H112-F152 AromaticContact ND1-CD2 3.37Å; H112-F152 WeakPolarHBondContact ND1-CD2 3.41Å; H112-F152 AromaticContact ND1-CE2 3.1Å; H112-F152 WeakPolarHBondContact ND1-CE2 3.47Å; H112-F152 AromaticContact ND1-CZ 3.82Å; T115-F152 HydrophobicContact CG2-CB 3.89Å; V116-F152 HydrophobicContact CG2-CB 4.2Å; V116-F152 HydrophobicContact CG2-CD1 4.11Å; Q119-F152 PolarHBondContact NE2-O 2.86Å; L144-F152 HydrophobicContact CD2-CD1 4.49Å; C150-F152 PolarHBondContact O-N 3Å; F152-V154 PolarHBondContact O-N 2.71Å
153	R	97.6	Very high	94.6	Very high	18 Å²	18	31.8 Å²	31.8	7%	0.068	17%	0.169	C	C	.	.			trans	-68.3	124.4	163.3	-175.9	173.6	177.8	-178.7	-7.7	108.6	D68 L144 V145 C150 P151 S372 Q374	D68-R153 VanDerWaalsContact CG-NH2 3.31Å; D68-R153 IonicContact OD1-NH2 3.45Å; D68-R153 PolarHBondContact OD1-NH2 3.35Å; L144-R153 WeakPolarHBondContact CA-O 3.42Å; V145-R153 HydrophobicContact CB-CB 4.33Å; V145-R153 HydrophobicContact CB-CG 4.06Å; V145-R153 HydrophobicContact CG2-CB 4.47Å; V145-R153 HydrophobicContact CG2-CG 3.84Å; V145-R153 PolarHBondContact N-O 3.23Å; C150-R153 HydrophobicContact CB-CB 3.74Å; C150-R153 HydrophobicContact CB-CG 4.5Å; C150-R153 WeakPolarHBondContact O-CB 3.28Å; C150-R153 PolarHBondContact O-N 2.87Å; P151-R153 PolarHBondContact O-N 2.85Å; R153-S372 VanDerWaalsContact CD-O 3.3Å; R153-S372 WeakPolarHBondContact CD-O 3.47Å; R153-S372 VanDerWaalsContact CG-O 3.24Å; R153-S372 WeakPolarHBondContact CG-O 3.47Å; R153-Q374 PolarHBondContact NH1-O 3.23Å
154	V	98.5	Very high	94.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	155.7	-174.5	-65.7	0	0	0	0	112.6	H71 L96 V116 Q119 V120 I142 M143 L144 F152	H71-V154 PolarHBondContact ND1-O 3.02Å; L96-V154 HydrophobicContact CD2-CG1 4.45Å; V116-V154 HydrophobicContact CG1-CG1 4.44Å; V116-V154 HydrophobicContact CG1-CG2 4.23Å; V116-V154 HydrophobicContact CG2-CG1 4.12Å; Q119-V154 HydrophobicContact CB-CG2 3.68Å; Q119-V154 HydrophobicContact CG-CG2 4.45Å; Q119-V154 PolarHBondContact OE1-O 3.13Å; V120-V154 HydrophobicContact CG2-CG2 4.18Å; I142-V154 HydrophobicContact CG2-CB 3.82Å; I142-V154 HydrophobicContact CG2-CG1 4Å; I142-V154 HydrophobicContact CG2-CG2 4.13Å; M143-V154 CarbonylContact O-C 3.59Å; M143-V154 WeakPolarHBondContact O-CA 3.34Å; L144-V154 HydrophobicContact CD2-CG1 3.83Å; F152-V154 PolarHBondContact O-N 2.71Å
155	K	98.6	Very high	94.2	Very high	1 Å²	1	34 Å²	34	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	144.5	167	-69.5	-175.7	174.7	-179.9	0	110.7	P67 D68 H71 E90 L92 M143 V145	P67-K155 WeakPolarHBondContact O-CE 3.43Å; D68-K155 VanDerWaalsContact OD1-CE 3.28Å; D68-K155 WeakPolarHBondContact OD1-CE 3.28Å; D68-K155 IonicContact OD1-NZ 3.14Å; D68-K155 PolarHBondContact OD1-NZ 2.98Å; H71-K155 CarbonylContact O-C 3.56Å; H71-K155 WeakPolarHBondContact O-CA 3.37Å; E90-K155 VanDerWaalsContact OE1-CD 3.32Å; E90-K155 WeakPolarHBondContact OE1-CD 3.26Å; E90-K155 IonicContact OE1-NZ 3.38Å; E90-K155 PolarHBondContact OE1-NZ 3.46Å; E90-K155 IonicContact OE2-NZ 2.67Å; E90-K155 PolarHBondContact OE2-NZ 3.34Å; L92-K155 HydrophobicContact CD1-CB 4.08Å; L92-K155 HydrophobicContact CD2-CD 4.28Å; M143-K155 PolarHBondContact N-O 2.76Å; M143-K155 PolarHBondContact O-N 2.7Å; V145-K155 HydrophobicContact CG2-CD 4.16Å; V145-K155 HydrophobicContact CG2-CG 3.85Å
156	V	98.6	Very high	94.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134.3	170.7	179.1	0	0	0	0	109.2	H71 I73 V120 A123 L137	H71-V156 PolarHBondContact O-N 2.92Å; I73-V156 PolarHBondContact N-O 3.42Å; V120-V156 HydrophobicContact CG1-CG2 4.15Å; V120-V156 HydrophobicContact CG2-CG2 4.48Å; A123-V156 HydrophobicContact CB-CB 4.39Å; A123-V156 HydrophobicContact CB-CG2 3.75Å; L137-V156 HydrophobicContact CD1-CG1 4.05Å; L137-V156 HydrophobicContact CD1-CG2 4.24Å
157	I	96.9	Very high	94	Very high	27 Å²	27	37.5 Å²	37.5	14%	0.138	20%	0.199	C	C	.	.			trans	-123.9	171.3	-177.9	72.4	150.7	0	0	0	111.4	I73 L92 H134 N141 M143	I73-I157 HydrophobicContact CB-CG2 4.1Å; I73-I157 HydrophobicContact CD1-CB 4.28Å; I73-I157 HydrophobicContact CD1-CG2 3.82Å; I73-I157 HydrophobicContact CG1-CG2 4.45Å; L92-I157 HydrophobicContact CD1-CG2 3.77Å; H134-I157 PolarHBondContact NE2-O 3.03Å; N141-I157 HydrophobicContact CB-CG1 4.15Å; N141-I157 WeakPolarHBondContact O-CG1 3.48Å; N141-I157 PolarHBondContact O-N 2.88Å; M143-I157 HydrophobicContact CB-CG2 4.12Å; M143-I157 HydrophobicContact CG-CD1 3.92Å; M143-I157 HydrophobicContact CG-CG1 4.18Å; M143-I157 HydrophobicContact CG-CG2 3.93Å; M143-I157 HydrophobicContact SD-CD1 3.66Å; M143-I157 HydrophobicContact SD-CG1 4.42Å; M143-I157 HydrophobicContact SD-CG2 4.05Å
158	D	92.3	Very high	94	Very high	38 Å²	38	35.5 Å²	35.5	20%	0.203	19%	0.19	C	C	.	.			trans	64.7	82.6	170.9	-161.9	17.5	0	0	0	116.3	K40 H134 G160	K40-D158 IonicContact NZ-OD1 2.7Å; K40-D158 PolarHBondContact NZ-OD1 3.36Å; H134-D158 PolarHBondContact NE2-O 3.45Å; D158-G160 PolarHBondContact O-N 2.87Å; D158-G160 PolarHBondContact OD1-N 3.24Å
159	F	93.6	Very high	93.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-86.6	13.6	176	-70.6	-97.3	0	0	0	113.2	L58 L59 V62 V72 I73 L127 S161 A162	L58-F159 HydrophobicContact CB-CB 4.32Å; L59-F159 HydrophobicContact CD2-CB 4.22Å; L59-F159 HydrophobicContact CD2-CD2 3.92Å; L59-F159 HydrophobicContact CD2-CG 4.24Å; V62-F159 HydrophobicContact CG1-CE1 3.96Å; V62-F159 HydrophobicContact CG1-CZ 4.3Å; V72-F159 HydrophobicContact CG1-CE2 3.6Å; V72-F159 HydrophobicContact CG1-CZ 3.47Å; V72-F159 VanDerWaalsContact CG1-CZ 3.47Å; V72-F159 HydrophobicContact CG2-CZ 4.4Å; I73-F159 HydrophobicContact CG2-CE2 4.21Å; L127-F159 HydrophobicContact CD1-CE1 4.17Å; L127-F159 HydrophobicContact CD2-CE1 3.72Å; L127-F159 HydrophobicContact CD2-CZ 4.17Å; F159-S161 VanDerWaalsContact C-N 3.25Å; F159-S161 PolarHBondContact O-N 3.01Å; F159-A162 HydrophobicContact CB-CB 4.09Å; F159-A162 HydrophobicContact CD1-CB 3.87Å; F159-A162 HydrophobicContact CG-CB 4.44Å; F159-A162 WeakPolarHBondContact O-CB 3.5Å; F159-A162 PolarHBondContact O-N 2.97Å; F159-A162 VanDerWaalsContact O-N 3.12Å
160	G	89.5	Confident	93.8	Very high	8 Å²	8	35.3 Å²	35.3	8%	0.082	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-63.6	-27.9	-177.3	0	0	0	0	0	114.4	D158	D158-G160 PolarHBondContact O-N 2.87Å; D158-G160 PolarHBondContact OD1-N 3.24Å
161	S	90.8	Very high	93.7	Very high	48 Å²	48	36.8 Å²	36.8	34%	0.336	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-99.7	-4.8	175.6	-58.5	0	0	0	0	113.3	F159	F159-S161 VanDerWaalsContact C-N 3.25Å; F159-S161 PolarHBondContact O-N 3.01Å
162	A	95.2	Very high	93	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	20%	0.199	C	C	.	.			trans	-71.1	153.3	-173.9	0	0	0	0	0	111.8	N54 L58 I132 I133 H134 F159	N54-A162 PolarHBondContact ND2-O 3.45Å; L58-A162 HydrophobicContact CG-CB 4.05Å; I132-A162 HydrophobicContact CG2-CB 4.28Å; I133-A162 CarbonylContact O-C 3.59Å; I133-A162 WeakPolarHBondContact O-CA 3.49Å; I133-A162 WeakPolarHBondContact O-CB 3.32Å; H134-A162 WeakPolarHBondContact O-CA 3.48Å; H134-A162 PolarHBondContact O-N 2.86Å; F159-A162 HydrophobicContact CB-CB 4.09Å; F159-A162 HydrophobicContact CD1-CB 3.87Å; F159-A162 HydrophobicContact CG-CB 4.44Å; F159-A162 WeakPolarHBondContact O-CB 3.5Å; F159-A162 PolarHBondContact O-N 2.97Å; F159-A162 VanDerWaalsContact O-N 3.12Å
163	S	94.6	Very high	92.4	Very high	11 Å²	11	44.5 Å²	44.5	8%	0.077	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.3	-177.6	56.7	0	0	0	0	111.9	I132 I133	I132-S163 WeakPolarHBondContact CA-O 3.09Å; I133-S163 PolarHBondContact N-O 3.49Å; I133-S163 PolarHBondContact O-N 2.86Å
164	I	95.5	Very high	92	Very high	24 Å²	24	43.8 Å²	43.8	12%	0.123	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	124.2	171.6	-58.3	-178.7	0	0	0	107.9	L58 A131 S166 E167 V168	L58-I164 HydrophobicContact CD1-CG1 3.87Å; A131-I164 CarbonylContact O-C 3.45Å; A131-I164 WeakPolarHBondContact O-CA 3.15Å; I164-S166 VanDerWaalsContact C-N 3.31Å; I164-S166 WeakPolarHBondContact CG2-OG 3.26Å; I164-S166 PolarHBondContact O-N 3.46Å; I164-E167 HydrophobicContact CB-CG 4.05Å; I164-E167 HydrophobicContact CG2-CG 4.31Å; I164-E167 WeakPolarHBondContact O-CB 3.38Å; I164-E167 PolarHBondContact O-N 3.36Å; I164-V168 PolarHBondContact O-N 3.41Å
165	F	94.4	Very high	91.6	Very high	55 Å²	55	49.4 Å²	49.4	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-54.8	-43.7	-172.9	174.2	-127	0	0	0	112.8	A131 I133 E167 V168 R169 F192 C193	A131-F165 HydrophobicContact CB-CB 4.46Å; A131-F165 WeakPolarHBondContact O-CB 3.33Å; A131-F165 PolarHBondContact O-N 3.31Å; I133-F165 HydrophobicContact CD1-CB 4.08Å; I133-F165 HydrophobicContact CD1-CD2 3.65Å; I133-F165 HydrophobicContact CD1-CG 4.23Å; I133-F165 HydrophobicContact CG1-CB 4.14Å; F165-E167 PolarHBondContact O-N 2.76Å; F165-E167 VanDerWaalsContact O-N 3.16Å; F165-V168 PolarHBondContact O-N 3.25Å; F165-V168 VanDerWaalsContact O-N 3.1Å; F165-R169 HydrophobicContact CD2-CB 4.01Å; F165-R169 HydrophobicContact CE1-CB 4.49Å; F165-R169 HydrophobicContact CE2-CB 3.54Å; F165-R169 HydrophobicContact CZ-CB 3.83Å; F165-R169 WeakPolarHBondContact O-CB 3.46Å; F165-R169 PolarHBondContact O-N 3.37Å; F165-F192 VanDerWaalsContact CE2-O 3.23Å; F165-F192 WeakPolarHBondContact CE2-O 3.28Å; F165-C193 HydrophobicContact CE2-CB 4.13Å; F165-C193 HydrophobicContact CZ-CB 4.08Å
166	S	93	Very high	91.4	Very high	63 Å²	63	50.3 Å²	50.3	44%	0.441	24%	0.239	S	C	.	.	H	α-helix	trans	-59.6	-27.6	179.4	54.4	0	0	0	0	113.3	I164	I164-S166 VanDerWaalsContact C-N 3.31Å; I164-S166 WeakPolarHBondContact CG2-OG 3.26Å; I164-S166 PolarHBondContact O-N 3.46Å
167	E	92	Very high	91.3	Very high	72 Å²	72	50.8 Å²	50.8	34%	0.336	24%	0.241	S	C	.	.	H	α-helix	trans	-82.8	-25	-179.9	-57.8	-179.2	176.7	0	0	112.5	K57 I164 F165 L508	K57-E167 IonicContact NZ-OE1 2.76Å; K57-E167 PolarHBondContact NZ-OE1 2.87Å; K57-E167 IonicContact NZ-OE2 2.64Å; K57-E167 PolarHBondContact NZ-OE2 2.91Å; I164-E167 HydrophobicContact CB-CG 4.05Å; I164-E167 HydrophobicContact CG2-CG 4.31Å; I164-E167 WeakPolarHBondContact O-CB 3.38Å; I164-E167 PolarHBondContact O-N 3.36Å; F165-E167 PolarHBondContact O-N 2.76Å; F165-E167 VanDerWaalsContact O-N 3.16Å; E167-L508 HydrophobicContact CB-CD2 3.74Å
168	V	91.3	Very high	91.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-113.9	-10.2	-173.3	-57.5	0	0	0	0	114.4	I133 I164 F165 Y170 V171 F192 I506	I133-V168 HydrophobicContact CD1-CG2 4.47Å; I164-V168 PolarHBondContact O-N 3.41Å; F165-V168 PolarHBondContact O-N 3.25Å; F165-V168 VanDerWaalsContact O-N 3.1Å; V168-Y170 PolarHBondContact O-N 2.85Å; V168-V171 HydrophobicContact CB-CG2 4.33Å; V168-V171 VanDerWaalsContact O-CB 3.28Å; V168-V171 WeakPolarHBondContact O-CB 3.36Å; V168-V171 WeakPolarHBondContact O-CG2 3.47Å; V168-V171 PolarHBondContact O-N 3.11Å; V168-F192 HydrophobicContact CB-CZ 4.14Å; V168-F192 HydrophobicContact CG2-CE2 4.04Å; V168-F192 HydrophobicContact CG2-CZ 3.76Å; V168-I506 HydrophobicContact CB-CD1 4.27Å; V168-I506 HydrophobicContact CG1-CD1 3.8Å; V168-I506 HydrophobicContact CG1-CG2 4.15Å
169	R	88.4	Confident	91.5	Very high	124 Å²	124	50.7 Å²	50.7	47%	0.468	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24	-175.9	68.1	-180	-177.8	-176.4	-1.4	114.8	F165	F165-R169 HydrophobicContact CD2-CB 4.01Å; F165-R169 HydrophobicContact CE1-CB 4.49Å; F165-R169 HydrophobicContact CE2-CB 3.54Å; F165-R169 HydrophobicContact CZ-CB 3.83Å; F165-R169 WeakPolarHBondContact O-CB 3.46Å; F165-R169 PolarHBondContact O-N 3.37Å
170	Y	88.1	Confident	91.8	Very high	165 Å²	165	52 Å²	52	65%	0.647	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.3	-179.9	-58.1	-68.1	0	0	0	113.6	V168 K172	V168-Y170 PolarHBondContact O-N 2.85Å; Y170-K172 PolarHBondContact O-N 3.43Å
171	V	88.3	Confident	92.2	Very high	47 Å²	47	52 Å²	52	29%	0.285	25%	0.245	S	C	.	.			trans	-68	116.8	175.7	179.6	0	0	0	0	108.1	V168 P174 I506	V168-V171 HydrophobicContact CB-CG2 4.33Å; V168-V171 VanDerWaalsContact O-CB 3.28Å; V168-V171 WeakPolarHBondContact O-CB 3.36Å; V168-V171 WeakPolarHBondContact O-CG2 3.47Å; V168-V171 PolarHBondContact O-N 3.11Å; V171-P174 HydrophobicContact CG1-CB 3.96Å; V171-I506 HydrophobicContact CG2-CD1 4.5Å; V171-I506 HydrophobicContact CG2-CG2 4.29Å
172	K	78.9	Confident	92.6	Very high	143 Å²	143	49.9 Å²	49.9	62%	0.622	23%	0.23	S	C	*	.	S	Bend	trans	-72.8	-31.7	-170.1	-79.6	168.3	169.9	-179.4	0	113.8	Y170 R243	Y170-K172 PolarHBondContact O-N 3.43Å; K172-R243 VanDerWaalsContact CD-NH1 3.32Å
173	E	85.4	Confident	92.7	Very high	86 Å²	86	49.9 Å²	49.9	40%	0.402	23%	0.229	S	C	.	.	S	Bend	trans	-145.7	63.8	-175.4	-67.4	176.1	-150.6	0	0	110.6	Y175 R243 K244	E173-Y175 PolarHBondContact O-N 3.08Å; E173-R243 IonicContact OE1-CZ 3.18Å; E173-R243 VanDerWaalsContact OE1-CZ 3.25Å; E173-R243 IonicContact OE1-NE 3.55Å; E173-R243 PolarHBondContact OE1-NE 3.31Å; E173-R243 IonicContact OE1-NH2 2.73Å; E173-R243 PolarHBondContact OE1-NH2 3.16Å; E173-K244 WeakPolarHBondContact OE2-CE 3.47Å
174	P	87.8	Confident	92.9	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.019	23%	0.226	C	C	.	.			trans	-62	140.5	179.8	31.3	-38.5	0	0	0	110.2	V171 I176 I186 F192	V171-P174 HydrophobicContact CG1-CB 3.96Å; P174-I176 HydrophobicContact CB-CG1 4.31Å; P174-I176 HydrophobicContact CB-CG2 4.24Å; P174-I186 HydrophobicContact CG-CD1 3.82Å; P174-I186 WeakPolarHBondContact O-CG2 3.4Å; P174-F192 HydrophobicContact CB-CE1 4.27Å; P174-F192 HydrophobicContact CB-CZ 4.4Å; P174-F192 HydrophobicContact CG-CD1 3.81Å; P174-F192 HydrophobicContact CG-CE1 3.59Å; P174-F192 HydrophobicContact CG-CZ 4.11Å
175	Y	90.8	Very high	93	Very high	119 Å²	119	48.4 Å²	48.4	47%	0.467	22%	0.221	S	C	.	.			trans	-105.8	86.5	168.4	-169.5	-95	0	0	0	108.5	E173 R179 R182	E173-Y175 PolarHBondContact O-N 3.08Å; Y175-R179 PolarHBondContact OH-NH2 3.19Å; Y175-R179 VanDerWaalsContact OH-NH2 3.11Å; Y175-R182 VanDerWaalsContact CZ-NH2 3.32Å; Y175-R182 PolarHBondContact OH-NH1 3.01Å; Y175-R182 PolarHBondContact OH-NH2 3.19Å
176	I	93.5	Very high	93.2	Very high	21 Å²	21	45.8 Å²	45.8	11%	0.108	21%	0.209	C	C	.	.			trans	-127.1	168.5	-176.7	61.4	170.5	0	0	0	110.7	A135 P174 R182 I186 F192	A135-I176 HydrophobicContact CB-CB 4.22Å; A135-I176 HydrophobicContact CB-CD1 4.12Å; P174-I176 HydrophobicContact CB-CG1 4.31Å; P174-I176 HydrophobicContact CB-CG2 4.24Å; I176-R182 PolarHBondContact O-NE 2.77Å; I176-I186 HydrophobicContact CD1-CD1 3.76Å; I176-I186 HydrophobicContact CD1-CG1 4.29Å; I176-I186 HydrophobicContact CG1-CD1 3.86Å; I176-I186 HydrophobicContact CG1-CG1 4.06Å; I176-I186 HydrophobicContact CG1-CG2 3.93Å; I176-F192 HydrophobicContact CD1-CD2 4.27Å; I176-F192 HydrophobicContact CD1-CE2 4.04Å
177	Q	97	Very high	93.4	Very high	11 Å²	11	42.9 Å²	42.9	5%	0.051	19%	0.189	C	C	.	.	S	Bend	trans	66.4	140.9	-175.7	-52.6	172.8	-71	0	0	114.2	A135 Y181 R182 V196 S200	A135-Q177 WeakPolarHBondContact O-CA 3.49Å; A135-Q177 WeakPolarHBondContact O-CG 3.47Å; A135-Q177 PolarHBondContact O-N 3.11Å; Q177-Y181 PolarHBondContact NE2-O 3.05Å; Q177-R182 HydrophobicContact CB-CB 4.09Å; Q177-R182 HydrophobicContact CB-CG 4.23Å; Q177-R182 PolarHBondContact O-NE 3.43Å; Q177-R182 PolarHBondContact O-NH2 2.83Å; Q177-V196 PolarHBondContact NE2-O 3.36Å; Q177-S200 PolarHBondContact NE2-OG 3.4Å
178	S	96.3	Very high	93.7	Very high	36 Å²	36	39.4 Å²	39.4	25%	0.252	17%	0.173	S	C	.	.			trans	-59.4	134.7	162.7	-67.7	0	0	0	0	110.2	D136 K138 F180 Y181 R182	D136-S178 WeakPolarHBondContact OD1-CB 3.46Å; D136-S178 PolarHBondContact OD1-N 2.85Å; D136-S178 PolarHBondContact OD1-OG 3.01Å; K138-S178 WeakPolarHBondContact CD-OG 3.44Å; K138-S178 PolarHBondContact NZ-OG 2.73Å; K138-S178 VanDerWaalsContact NZ-OG 3.12Å; S178-F180 VanDerWaalsContact C-N 3.32Å; S178-F180 PolarHBondContact O-N 3.19Å; S178-F180 VanDerWaalsContact O-N 3.14Å; S178-Y181 CarbonylContact O-C 3.46Å; S178-Y181 PolarHBondContact O-N 2.79Å; S178-R182 PolarHBondContact O-N 3.42Å
179	R	97.8	Very high	93.9	Very high	26 Å²	26	39.5 Å²	39.5	10%	0.098	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-53.4	-41.8	-163.9	-179.5	-179.3	-64.7	90.4	14.7	114.7	Y175 Y181 R182 G217 Q223 E437	Y175-R179 PolarHBondContact OH-NH2 3.19Å; Y175-R179 VanDerWaalsContact OH-NH2 3.11Å; R179-Y181 PolarHBondContact O-N 2.64Å; R179-R182 VanDerWaalsContact O-CB 3.31Å; R179-R182 WeakPolarHBondContact O-CB 3.33Å; R179-R182 PolarHBondContact O-N 3.09Å; R179-R182 VanDerWaalsContact O-N 3.14Å; R179-G217 WeakPolarHBondContact CD-O 3.31Å; R179-Q223 HydrophobicContact CG-CB 4.22Å; R179-Q223 HydrophobicContact CG-CG 4.17Å; R179-Q223 PolarHBondContact O-NE2 3.11Å; R179-E437 IonicContact CZ-OE1 3.46Å; R179-E437 IonicContact CZ-OE2 3.01Å; R179-E437 IonicContact NE-OE1 3.8Å; R179-E437 IonicContact NH1-OE1 2.79Å; R179-E437 PolarHBondContact NH1-OE1 3.41Å; R179-E437 IonicContact NH1-OE2 3.55Å; R179-E437 PolarHBondContact NH1-OE2 3.49Å; R179-E437 IonicContact NH2-OE1 3.25Å; R179-E437 PolarHBondContact NH2-OE1 3.49Å; R179-E437 IonicContact NH2-OE2 2.83Å; R179-E437 PolarHBondContact NH2-OE2 3Å
180	F	98.6	Very high	94.3	Very high	27 Å²	27	34.5 Å²	34.5	12%	0.118	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-64.9	-24.9	-175.2	-61.4	-6.3	0	0	0	112.7	S178 P213 Y215 P216 G217 Q223 L430	S178-F180 VanDerWaalsContact C-N 3.32Å; S178-F180 PolarHBondContact O-N 3.19Å; S178-F180 VanDerWaalsContact O-N 3.14Å; F180-P213 HydrophobicContact CD2-CB 3.98Å; F180-P213 HydrophobicContact CD2-CG 4.05Å; F180-P213 HydrophobicContact CE2-CG 4.28Å; F180-Y215 WeakPolarHBondContact CA-O 3.2Å; F180-P216 VanDerWaalsContact CE1-C 3.43Å; F180-P216 HydrophobicContact CE1-CB 4.29Å; F180-P216 HydrophobicContact CE2-CB 4.14Å; F180-P216 HydrophobicContact CZ-CB 4Å; F180-G217 WeakPolarHBondContact CE1-O 3.33Å; F180-Q223 PolarHBondContact O-NE2 2.83Å; F180-L430 HydrophobicContact CE1-CD2 4.41Å; F180-L430 HydrophobicContact CE2-CD1 4.49Å; F180-L430 HydrophobicContact CE2-CD2 3.29Å; F180-L430 HydrophobicContact CZ-CD2 3.18Å
181	Y	98.8	Very high	94.6	Very high	8 Å²	8	32 Å²	32	3%	0.031	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-109.7	9.4	-177.4	-42.8	-80.3	0	0	0	111.8	K138 P139 Q177 S178 R179 S200 C203 V204 E207	K138-Y181 HydrophobicContact CB-CD2 3.55Å; K138-Y181 HydrophobicContact CB-CE1 4.47Å; K138-Y181 HydrophobicContact CB-CE2 3.41Å; K138-Y181 VanDerWaalsContact CB-CE2 3.41Å; K138-Y181 HydrophobicContact CB-CG 4.14Å; K138-Y181 HydrophobicContact CD-CE2 4.49Å; P139-Y181 WeakPolarHBondContact CD-OH 3.28Å; P139-Y181 HydrophobicContact CG-CE1 4.22Å; P139-Y181 WeakPolarHBondContact CG-OH 3.38Å; Q177-Y181 PolarHBondContact NE2-O 3.05Å; S178-Y181 CarbonylContact O-C 3.46Å; S178-Y181 PolarHBondContact O-N 2.79Å; R179-Y181 PolarHBondContact O-N 2.64Å; Y181-S200 PolarHBondContact O-OG 3.22Å; Y181-C203 HydrophobicContact CD1-CB 3.8Å; Y181-V204 HydrophobicContact CD1-CG2 3.98Å; Y181-V204 HydrophobicContact CE1-CG2 4.02Å; Y181-E207 WeakPolarHBondContact CE1-OE2 3.33Å; Y181-E207 PolarHBondContact OH-OE1 3.23Å; Y181-E207 PolarHBondContact OH-OE2 2.95Å
182	R	98.7	Very high	95	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.019	15%	0.149	C	C	.	.			trans	-77.8	130	-175.1	-174	177.2	-68.2	154.7	8.6	111.1	Y175 I176 Q177 S178 R179 I186 L187 W199 E220	Y175-R182 VanDerWaalsContact CZ-NH2 3.32Å; Y175-R182 PolarHBondContact OH-NH1 3.01Å; Y175-R182 PolarHBondContact OH-NH2 3.19Å; I176-R182 PolarHBondContact O-NE 2.77Å; Q177-R182 HydrophobicContact CB-CB 4.09Å; Q177-R182 HydrophobicContact CB-CG 4.23Å; Q177-R182 PolarHBondContact O-NE 3.43Å; Q177-R182 PolarHBondContact O-NH2 2.83Å; S178-R182 PolarHBondContact O-N 3.42Å; R179-R182 VanDerWaalsContact O-CB 3.31Å; R179-R182 WeakPolarHBondContact O-CB 3.33Å; R179-R182 PolarHBondContact O-N 3.09Å; R179-R182 VanDerWaalsContact O-N 3.14Å; R182-I186 HydrophobicContact CG-CB 3.89Å; R182-I186 HydrophobicContact CG-CG2 3.83Å; R182-L187 HydrophobicContact CG-CD2 4.23Å; R182-L187 HydrophobicContact CG-CG 4.05Å; R182-W199 PolarHBondContact O-NE1 3.03Å; R182-W199 VanDerWaalsContact O-NE1 3.11Å; R182-E220 IonicContact CZ-OE1 3.56Å; R182-E220 IonicContact NH1-OE1 3.61Å; R182-E220 PolarHBondContact NH1-OE1 2.94Å
183	A	98.6	Very high	95.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.			trans	-71.6	150.9	-177.9	0	0	0	0	0	112.3	E185 I186 L187 V196 W199	A183-E185 VanDerWaalsContact C-N 3.3Å; A183-E185 HydrophobicContact CB-CG 4.35Å; A183-E185 WeakPolarHBondContact CB-OE2 3.5Å; A183-E185 PolarHBondContact O-N 2.83Å; A183-I186 HydrophobicContact CB-CG1 4.35Å; A183-I186 WeakPolarHBondContact O-CB 3.44Å; A183-I186 PolarHBondContact O-N 2.93Å; A183-I186 VanDerWaalsContact O-N 3.08Å; A183-L187 PolarHBondContact O-N 3.39Å; A183-L187 VanDerWaalsContact O-N 3.16Å; A183-V196 HydrophobicContact CB-CB 3.99Å; A183-V196 HydrophobicContact CB-CG1 3.95Å; A183-W199 HydrophobicContact CB-CB 3.86Å; A183-W199 HydrophobicContact CB-CD2 4.41Å; A183-W199 HydrophobicContact CB-CG 3.82Å
184	P	98.1	Very high	96.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-63.1	-33.9	-177.3	24.5	-34.3	0	0	0	112.7	I186 L187 L188 W199 W330	P184-I186 PolarHBondContact O-N 3.38Å; P184-L187 PolarHBondContact O-N 3.14Å; P184-L188 VanDerWaalsContact O-CB 3.25Å; P184-L188 WeakPolarHBondContact O-CB 3.45Å; P184-L188 VanDerWaalsContact O-CG 3.23Å; P184-L188 WeakPolarHBondContact O-CG 3.33Å; P184-L188 PolarHBondContact O-N 3.4Å; P184-W199 VanDerWaalsContact CD-CD2 3.42Å; P184-W199 VanDerWaalsContact CD-CZ3 3.43Å; P184-W199 HydrophobicContact CG-CD2 4.44Å; P184-W199 HydrophobicContact CG-CE3 3.91Å; P184-W199 HydrophobicContact CG-CH2 3.89Å; P184-W199 HydrophobicContact CG-CZ2 4.45Å; P184-W199 HydrophobicContact CG-CZ3 3.58Å; P184-W330 HydrophobicContact CB-CD2 4.46Å; P184-W330 HydrophobicContact CB-CE3 3.38Å; P184-W330 HydrophobicContact CB-CZ3 3.4Å; P184-W330 VanDerWaalsContact CB-CZ3 3.4Å; P184-W330 HydrophobicContact CG-CE3 3.94Å; P184-W330 HydrophobicContact CG-CZ3 4.41Å
185	E	97.9	Very high	96.8	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.014	12%	0.12	C	C	.	.	H	α-helix	trans	-62.4	-32.2	175.5	58.4	-94.2	-132.3	0	0	112.8	A183 G189 L190 F192 V196 S332 R335	A183-E185 VanDerWaalsContact C-N 3.3Å; A183-E185 HydrophobicContact CB-CG 4.35Å; A183-E185 WeakPolarHBondContact CB-OE2 3.5Å; A183-E185 PolarHBondContact O-N 2.83Å; E185-G189 PolarHBondContact O-N 2.94Å; E185-G189 VanDerWaalsContact O-N 3.08Å; E185-L190 HydrophobicContact CB-CB 3.86Å; E185-L190 PolarHBondContact O-N 3.48Å; E185-F192 HydrophobicContact CG-CB 3.8Å; E185-V196 HydrophobicContact CG-CG1 3.92Å; E185-S332 VanDerWaalsContact OE1-CB 3.22Å; E185-S332 WeakPolarHBondContact OE1-CB 3.23Å; E185-S332 PolarHBondContact OE1-OG 3.5Å; E185-R335 IonicContact OE1-CZ 3.09Å; E185-R335 IonicContact OE1-NH1 2.74Å; E185-R335 PolarHBondContact OE1-NH1 2.89Å; E185-R335 IonicContact OE1-NH2 3.75Å; E185-R335 PolarHBondContact OE1-NH2 3.33Å; E185-R335 IonicContact OE2-CZ 3.35Å; E185-R335 IonicContact OE2-NH1 3.53Å; E185-R335 PolarHBondContact OE2-NH1 3.42Å; E185-R335 IonicContact OE2-NH2 3.36Å; E185-R335 PolarHBondContact OE2-NH2 3.42Å
186	I	97.9	Very high	97.2	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-74	-44	175.9	-55.7	-55.9	0	0	0	110.4	P174 I176 R182 A183 P184 L188 G189 F192 V196	P174-I186 HydrophobicContact CG-CD1 3.82Å; P174-I186 WeakPolarHBondContact O-CG2 3.4Å; I176-I186 HydrophobicContact CD1-CD1 3.76Å; I176-I186 HydrophobicContact CD1-CG1 4.29Å; I176-I186 HydrophobicContact CG1-CD1 3.86Å; I176-I186 HydrophobicContact CG1-CG1 4.06Å; I176-I186 HydrophobicContact CG1-CG2 3.93Å; R182-I186 HydrophobicContact CG-CB 3.89Å; R182-I186 HydrophobicContact CG-CG2 3.83Å; A183-I186 HydrophobicContact CB-CG1 4.35Å; A183-I186 WeakPolarHBondContact O-CB 3.44Å; A183-I186 PolarHBondContact O-N 2.93Å; A183-I186 VanDerWaalsContact O-N 3.08Å; P184-I186 PolarHBondContact O-N 3.38Å; I186-L188 PolarHBondContact O-N 3.45Å; I186-G189 PolarHBondContact O-N 3.43Å; I186-F192 HydrophobicContact CD1-CB 3.64Å; I186-F192 HydrophobicContact CD1-CD1 4.2Å; I186-F192 HydrophobicContact CD1-CD2 4.02Å; I186-F192 HydrophobicContact CD1-CG 3.69Å; I186-V196 HydrophobicContact CD1-CG1 4.01Å; I186-V196 HydrophobicContact CG1-CG1 3.94Å
187	L	98	Very high	97.4	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-61.3	-43.3	176.6	-68.9	165.8	0	0	0	111.9	R182 A183 P184 E220 Q223 V224 I227 K244 F248	R182-L187 HydrophobicContact CG-CD2 4.23Å; R182-L187 HydrophobicContact CG-CG 4.05Å; A183-L187 PolarHBondContact O-N 3.39Å; A183-L187 VanDerWaalsContact O-N 3.16Å; P184-L187 PolarHBondContact O-N 3.14Å; L187-E220 HydrophobicContact CD2-CB 4.08Å; L187-E220 HydrophobicContact CD2-CG 4.08Å; L187-Q223 HydrophobicContact CD1-CB 4.4Å; L187-Q223 HydrophobicContact CD1-CG 3.72Å; L187-Q223 HydrophobicContact CD2-CB 4.33Å; L187-Q223 HydrophobicContact CD2-CG 4.17Å; L187-V224 HydrophobicContact CB-CG2 3.86Å; L187-V224 HydrophobicContact CD1-CG2 3.93Å; L187-V224 HydrophobicContact CD2-CG2 4.42Å; L187-V224 HydrophobicContact CG-CG2 4.29Å; L187-I227 HydrophobicContact CD1-CD1 3.81Å; L187-K244 WeakPolarHBondContact O-CD 3.33Å; L187-F248 VanDerWaalsContact O-CE2 3.28Å; L187-F248 WeakPolarHBondContact O-CE2 3.36Å
188	L	97.3	Very high	97.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-85.7	-8.7	-175.3	-63.3	-178.4	0	0	0	113.8	P184 I186 L190 A242 R243 K244 F248 F249 W330	P184-L188 VanDerWaalsContact O-CB 3.25Å; P184-L188 WeakPolarHBondContact O-CB 3.45Å; P184-L188 VanDerWaalsContact O-CG 3.23Å; P184-L188 WeakPolarHBondContact O-CG 3.33Å; P184-L188 PolarHBondContact O-N 3.4Å; I186-L188 PolarHBondContact O-N 3.45Å; L188-L190 HydrophobicContact CB-CD1 4.02Å; L188-L190 HydrophobicContact CB-CG 4.08Å; L188-L190 HydrophobicContact CD1-CD1 4.06Å; L188-A242 HydrophobicContact CB-CB 3.82Å; L188-A242 CarbonylContact O-C 3.6Å; L188-A242 WeakPolarHBondContact O-CB 3.46Å; L188-R243 PolarHBondContact O-N 3.32Å; L188-K244 WeakPolarHBondContact O-CB 3.37Å; L188-K244 PolarHBondContact O-N 3.4Å; L188-F248 HydrophobicContact CD2-CD2 3.89Å; L188-F248 HydrophobicContact CD2-CE2 4.19Å; L188-F249 HydrophobicContact CD2-CE2 3.75Å; L188-W330 HydrophobicContact CD1-CE3 4.46Å; L188-W330 HydrophobicContact CD1-CZ3 3.98Å
189	G	96	Very high	97.7	Very high	2 Å²	2	14.6 Å²	14.6	2%	0.021	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	45.2	-175.5	0	0	0	0	0	112.1	E185 I186 R243	E185-G189 PolarHBondContact O-N 2.94Å; E185-G189 VanDerWaalsContact O-N 3.08Å; I186-G189 PolarHBondContact O-N 3.43Å; G189-R243 VanDerWaalsContact O-CD 3.27Å; G189-R243 WeakPolarHBondContact O-CD 3.33Å; G189-R243 VanDerWaalsContact O-CG 3.28Å; G189-R243 WeakPolarHBondContact O-CG 3.39Å; G189-R243 PolarHBondContact O-N 3.18Å
190	L	96.1	Very high	97.7	Very high	19 Å²	19	13.3 Å²	13.3	10%	0.099	7%	0.074	C	C	.	.			trans	-96.8	162.5	173	-69.4	167.8	0	0	0	110.1	E185 L188 F192 L238 A241 A242	E185-L190 HydrophobicContact CB-CB 3.86Å; E185-L190 PolarHBondContact O-N 3.48Å; L188-L190 HydrophobicContact CB-CD1 4.02Å; L188-L190 HydrophobicContact CB-CG 4.08Å; L188-L190 HydrophobicContact CD1-CD1 4.06Å; L190-F192 PolarHBondContact O-N 3.03Å; L190-L238 HydrophobicContact CD1-CB 4.48Å; L190-L238 HydrophobicContact CD1-CD2 4.23Å; L190-A241 HydrophobicContact CD2-CB 3.83Å; L190-A242 HydrophobicContact CD2-CB 3.92Å; L190-A242 HydrophobicContact CG-CB 4.06Å
191	P	95	Very high	97.7	Very high	113 Å²	113	12.1 Å²	12.1	73%	0.734	7%	0.069	S	C	*	.			trans	-54.6	138.6	167.3	-23.7	34.5	0	0	0	111.1
192	F	95.8	Very high	97.7	Very high	13 Å²	13	11.7 Å²	11.7	6%	0.057	7%	0.067	C	C	.	.			trans	-125.6	167.1	-176.4	73.2	-77.6	0	0	0	111.1	I133 F165 V168 P174 I176 E185 I186 L190 V196	I133-F192 HydrophobicContact CD1-CD2 4Å; I133-F192 HydrophobicContact CD1-CE2 3.69Å; F165-F192 VanDerWaalsContact CE2-O 3.23Å; F165-F192 WeakPolarHBondContact CE2-O 3.28Å; V168-F192 HydrophobicContact CB-CZ 4.14Å; V168-F192 HydrophobicContact CG2-CE2 4.04Å; V168-F192 HydrophobicContact CG2-CZ 3.76Å; P174-F192 HydrophobicContact CB-CE1 4.27Å; P174-F192 HydrophobicContact CB-CZ 4.4Å; P174-F192 HydrophobicContact CG-CD1 3.81Å; P174-F192 HydrophobicContact CG-CE1 3.59Å; P174-F192 HydrophobicContact CG-CZ 4.11Å; I176-F192 HydrophobicContact CD1-CD2 4.27Å; I176-F192 HydrophobicContact CD1-CE2 4.04Å; E185-F192 HydrophobicContact CG-CB 3.8Å; I186-F192 HydrophobicContact CD1-CB 3.64Å; I186-F192 HydrophobicContact CD1-CD1 4.2Å; I186-F192 HydrophobicContact CD1-CD2 4.02Å; I186-F192 HydrophobicContact CD1-CG 3.69Å; L190-F192 PolarHBondContact O-N 3.03Å; F192-V196 HydrophobicContact CB-CG1 3.96Å; F192-V196 HydrophobicContact CD2-CG1 4.33Å
193	C	95.8	Very high	97.7	Very high	24 Å²	24	11.6 Å²	11.6	16%	0.162	7%	0.067	C	C	.	.			trans	-149.7	-170.8	175.4	65.7	0	0	0	0	109.7	F165 K195 V196	F165-C193 HydrophobicContact CE2-CB 4.13Å; F165-C193 HydrophobicContact CZ-CB 4.08Å; C193-K195 PolarHBondContact O-N 3.15Å; C193-V196 WeakPolarHBondContact O-CG1 3.39Å; C193-V196 WeakPolarHBondContact O-CG2 3.42Å; C193-V196 PolarHBondContact O-N 2.9Å
194	E	96.8	Very high	97.8	Very high	31 Å²	31	11.6 Å²	11.6	15%	0.145	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.4	179.6	78.8	-70.8	174.4	0	0	114	K128 I133 V196 D197	K128-E194 HydrophobicContact CB-CG 4.09Å; K128-E194 HydrophobicContact CD-CG 4.01Å; K128-E194 WeakPolarHBondContact CD-OE1 3.43Å; K128-E194 VanDerWaalsContact CE-OE1 3.3Å; K128-E194 WeakPolarHBondContact CE-OE1 3.5Å; K128-E194 HydrophobicContact CG-CG 3.94Å; K128-E194 IonicContact NZ-OE1 3.77Å; K128-E194 PolarHBondContact NZ-OE1 2.9Å; I133-E194 HydrophobicContact CG1-CB 4.2Å; E194-V196 PolarHBondContact O-N 3.35Å; E194-V196 VanDerWaalsContact O-N 3.08Å; E194-D197 PolarHBondContact O-N 3.3Å; E194-D197 VanDerWaalsContact O-N 3.08Å
195	K	98.3	Very high	97.8	Very high	28 Å²	28	11.6 Å²	11.6	12%	0.122	7%	0.067	C	C	.	.	H	α-helix	trans	-67.3	-5.7	177.8	-68.9	179.5	177.8	175.2	0	114.3	C193 D197 V198 W199 S332 H333 R335	C193-K195 PolarHBondContact O-N 3.15Å; K195-D197 PolarHBondContact O-N 2.74Å; K195-V198 PolarHBondContact O-N 2.68Å; K195-W199 PolarHBondContact O-N 3.15Å; K195-S332 WeakPolarHBondContact CD-O 3.17Å; K195-S332 PolarHBondContact NZ-O 3.19Å; K195-H333 PolarHBondContact NZ-O 2.88Å; K195-R335 HydrophobicContact CD-CB 4.33Å; K195-R335 WeakPolarHBondContact CE-O 3.4Å; K195-R335 PolarHBondContact NZ-O 3.23Å; K195-R335 WeakPolarHBondContact O-CD 3.36Å; K195-R335 PolarHBondContact O-NH1 3.36Å
196	V	98.7	Very high	97.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.8	-34.8	167	-62	0	0	0	0	111.3	I133 Q177 A183 E185 I186 F192 C193 E194 V198 W199 S200	I133-V196 HydrophobicContact CG2-CG2 3.48Å; I133-V196 VanDerWaalsContact CG2-CG2 3.48Å; Q177-V196 PolarHBondContact NE2-O 3.36Å; A183-V196 HydrophobicContact CB-CB 3.99Å; A183-V196 HydrophobicContact CB-CG1 3.95Å; E185-V196 HydrophobicContact CG-CG1 3.92Å; I186-V196 HydrophobicContact CD1-CG1 4.01Å; I186-V196 HydrophobicContact CG1-CG1 3.94Å; F192-V196 HydrophobicContact CB-CG1 3.96Å; F192-V196 HydrophobicContact CD2-CG1 4.33Å; C193-V196 WeakPolarHBondContact O-CG1 3.39Å; C193-V196 WeakPolarHBondContact O-CG2 3.42Å; C193-V196 PolarHBondContact O-N 2.9Å; E194-V196 PolarHBondContact O-N 3.35Å; E194-V196 VanDerWaalsContact O-N 3.08Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V196-W199 WeakPolarHBondContact O-CB 3.44Å; V196-W199 PolarHBondContact O-N 2.97Å; V196-S200 PolarHBondContact O-N 3.26Å; V196-S200 PolarHBondContact O-OG 3.18Å
197	D	98.9	Very high	97.9	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.016	7%	0.068	C	C	.	.	H	α-helix	trans	-72.7	-29.3	178.2	-63.2	-37.2	0	0	0	111.8	L124 H134 A135 L137 E194 K195 S200 L201	L124-D197 HydrophobicContact CD1-CB 4.23Å; L124-D197 HydrophobicContact CD2-CB 3.73Å; H134-D197 WeakPolarHBondContact CB-OD2 3.41Å; H134-D197 PolarHBondContact N-OD2 2.78Å; A135-D197 PolarHBondContact N-OD1 2.86Å; L137-D197 WeakPolarHBondContact CD2-O 3.44Å; E194-D197 PolarHBondContact O-N 3.3Å; E194-D197 VanDerWaalsContact O-N 3.08Å; K195-D197 PolarHBondContact O-N 2.74Å; D197-S200 WeakPolarHBondContact O-CB 3.4Å; D197-S200 PolarHBondContact O-N 3.29Å; D197-L201 PolarHBondContact O-N 2.93Å
198	V	98.9	Very high	97.9	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-67.2	-38.2	173.7	-179.5	0	0	0	0	111.1	L124 K195 V196 L201 G202 M327 R335 I336 P338	L124-V198 HydrophobicContact CD1-CG2 4.4Å; K195-V198 PolarHBondContact O-N 2.68Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V198-L201 PolarHBondContact O-N 3.36Å; V198-G202 PolarHBondContact O-N 2.87Å; V198-M327 HydrophobicContact CG1-CB 4.04Å; V198-M327 HydrophobicContact CG1-CG 3.72Å; V198-R335 HydrophobicContact CG1-CG 4.48Å; V198-I336 HydrophobicContact CG1-CG2 4.1Å; V198-P338 HydrophobicContact CG2-CG 3.84Å
199	W	98.9	Very high	97.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.2	-48.4	172	175.6	-79.6	0	0	0	110.8	R182 A183 P184 K195 V196 L201 G202 C203 Y215 I227 L328	R182-W199 PolarHBondContact O-NE1 3.03Å; R182-W199 VanDerWaalsContact O-NE1 3.11Å; A183-W199 HydrophobicContact CB-CB 3.86Å; A183-W199 HydrophobicContact CB-CD2 4.41Å; A183-W199 HydrophobicContact CB-CG 3.82Å; P184-W199 VanDerWaalsContact CD-CD2 3.42Å; P184-W199 VanDerWaalsContact CD-CZ3 3.43Å; P184-W199 HydrophobicContact CG-CD2 4.44Å; P184-W199 HydrophobicContact CG-CE3 3.91Å; P184-W199 HydrophobicContact CG-CH2 3.89Å; P184-W199 HydrophobicContact CG-CZ2 4.45Å; P184-W199 HydrophobicContact CG-CZ3 3.58Å; K195-W199 PolarHBondContact O-N 3.15Å; V196-W199 WeakPolarHBondContact O-CB 3.44Å; V196-W199 PolarHBondContact O-N 2.97Å; W199-L201 VanDerWaalsContact C-N 3.29Å; W199-L201 PolarHBondContact O-N 3.3Å; W199-G202 PolarHBondContact O-N 2.72Å; W199-G202 VanDerWaalsContact O-N 3.07Å; W199-C203 PolarHBondContact O-N 2.85Å; W199-C203 VanDerWaalsContact O-N 3.09Å; W199-Y215 HydrophobicContact CZ2-CE2 4.31Å; W199-I227 HydrophobicContact CH2-CD1 4.36Å; W199-I227 HydrophobicContact CH2-CG2 3.9Å; W199-I227 HydrophobicContact CZ2-CD1 3.77Å; W199-I227 HydrophobicContact CZ2-CG1 4.14Å; W199-I227 HydrophobicContact CZ2-CG2 4.26Å; W199-L328 HydrophobicContact CD2-CD2 3.79Å; W199-L328 HydrophobicContact CE3-CB 4.39Å; W199-L328 HydrophobicContact CE3-CD2 4.05Å; W199-L328 HydrophobicContact CG-CD2 4.18Å; W199-L328 HydrophobicContact CH2-CB 4.46Å; W199-L328 HydrophobicContact CZ2-CD2 4.3Å; W199-L328 HydrophobicContact CZ3-CB 4.17Å; W199-L328 HydrophobicContact CZ3-CD2 4.43Å; W199-L328 WeakPolarHBondContact CZ3-O 3.07Å; W199-L328 WeakPolarHBondContact O-CD2 3.02Å
200	S	98.9	Very high	97.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.6	-43.4	177.4	-58.8	0	0	0	0	112.2	L137 Q177 Y181 V196 D197 G202 C203 V204	L137-S200 WeakPolarHBondContact O-CB 3.04Å; Q177-S200 PolarHBondContact NE2-OG 3.4Å; Y181-S200 PolarHBondContact O-OG 3.22Å; V196-S200 PolarHBondContact O-N 3.26Å; V196-S200 PolarHBondContact O-OG 3.18Å; D197-S200 WeakPolarHBondContact O-CB 3.4Å; D197-S200 PolarHBondContact O-N 3.29Å; S200-G202 VanDerWaalsContact C-N 3.34Å; S200-G202 PolarHBondContact O-N 3.22Å; S200-C203 WeakPolarHBondContact O-CB 3.31Å; S200-C203 PolarHBondContact O-N 2.81Å; S200-V204 WeakPolarHBondContact O-CG2 3.36Å; S200-V204 PolarHBondContact O-N 3.01Å
201	L	98.9	Very high	97.9	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-62	-39.6	176	-178.9	56.9	0	0	0	112.3	T117 V120 L121 L124 L137 D197 V198 W199 C203 V204 M205 M327	T117-L201 HydrophobicContact CG2-CD2 4.49Å; V120-L201 HydrophobicContact CB-CD1 4.1Å; V120-L201 HydrophobicContact CB-CD2 4.33Å; V120-L201 HydrophobicContact CG1-CD1 3.85Å; V120-L201 HydrophobicContact CG1-CD2 4.04Å; V120-L201 HydrophobicContact CG1-CG 4.48Å; L121-L201 HydrophobicContact CD2-CD2 3.75Å; L121-L201 HydrophobicContact CG-CD2 3.85Å; L124-L201 HydrophobicContact CD1-CB 4.47Å; L124-L201 HydrophobicContact CD1-CD2 4.12Å; L137-L201 HydrophobicContact CD2-CB 3.91Å; D197-L201 PolarHBondContact O-N 2.93Å; V198-L201 PolarHBondContact O-N 3.36Å; W199-L201 VanDerWaalsContact C-N 3.29Å; W199-L201 PolarHBondContact O-N 3.3Å; L201-C203 VanDerWaalsContact C-N 3.31Å; L201-C203 PolarHBondContact O-N 3.18Å; L201-V204 PolarHBondContact O-N 2.85Å; L201-M205 HydrophobicContact CD1-CG 4.35Å; L201-M205 HydrophobicContact CG-SD 4.43Å; L201-M205 WeakPolarHBondContact O-CG 3.48Å; L201-M205 PolarHBondContact O-N 2.8Å; L201-M327 HydrophobicContact CD2-CE 3.96Å; L201-M327 HydrophobicContact CG-CE 4.35Å; L201-M327 HydrophobicContact CG-SD 4.3Å
202	G	98.9	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-59.3	-41.5	174.1	0	0	0	0	0	112.5	V198 W199 S200 M205 A206	V198-G202 PolarHBondContact O-N 2.87Å; W199-G202 PolarHBondContact O-N 2.72Å; W199-G202 VanDerWaalsContact O-N 3.07Å; S200-G202 VanDerWaalsContact C-N 3.34Å; S200-G202 PolarHBondContact O-N 3.22Å; G202-M205 PolarHBondContact O-N 3.1Å; G202-A206 PolarHBondContact O-N 2.95Å; G202-A206 VanDerWaalsContact O-N 3.16Å
203	C	98.9	Very high	98.1	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.014	5%	0.046	C	C	.	.	H	α-helix	trans	-65	-43.7	173.7	-67.6	0	0	0	0	112	Y181 W199 S200 L201 M205 A206 E207	Y181-C203 HydrophobicContact CD1-CB 3.8Å; W199-C203 PolarHBondContact O-N 2.85Å; W199-C203 VanDerWaalsContact O-N 3.09Å; S200-C203 WeakPolarHBondContact O-CB 3.31Å; S200-C203 PolarHBondContact O-N 2.81Å; L201-C203 VanDerWaalsContact C-N 3.31Å; L201-C203 PolarHBondContact O-N 3.18Å; C203-M205 PolarHBondContact O-N 3.36Å; C203-A206 PolarHBondContact O-N 3.43Å; C203-E207 WeakPolarHBondContact O-CB 3.39Å; C203-E207 PolarHBondContact O-N 3.23Å
204	V	98.9	Very high	98.2	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	4%	0.04	C	C	.	.	H	α-helix	trans	-59.1	-46.2	175.5	170.5	0	0	0	0	111.1	P139 I142 Y181 S200 L201 A206 E207 L208	P139-V204 HydrophobicContact CG-CG1 4.42Å; P139-V204 HydrophobicContact CG-CG2 4.18Å; I142-V204 HydrophobicContact CD1-CG1 4.02Å; I142-V204 HydrophobicContact CD1-CG2 4.44Å; Y181-V204 HydrophobicContact CD1-CG2 3.98Å; Y181-V204 HydrophobicContact CE1-CG2 4.02Å; S200-V204 WeakPolarHBondContact O-CG2 3.36Å; S200-V204 PolarHBondContact O-N 3.01Å; L201-V204 PolarHBondContact O-N 2.85Å; V204-A206 VanDerWaalsContact C-N 3.33Å; V204-A206 PolarHBondContact O-N 3.39Å; V204-E207 PolarHBondContact O-N 3.09Å; V204-L208 HydrophobicContact CG1-CD1 4.05Å; V204-L208 HydrophobicContact CG1-CG 4.25Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.23Å; V204-L208 PolarHBondContact O-N 3.12Å
205	M	98.8	Very high	98.3	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-59.3	-44.1	178.6	-73.3	177	64.3	0	0	112.2	I113 T117 L201 G202 C203 H209 M320 L323 I324 M327 F346	I113-M205 HydrophobicContact CG2-CB 4.22Å; I113-M205 HydrophobicContact CG2-CE 4.37Å; I113-M205 HydrophobicContact CG2-CG 4.07Å; T117-M205 HydrophobicContact CG2-CE 4.07Å; T117-M205 HydrophobicContact CG2-SD 3.6Å; T117-M205 WeakPolarHBondContact OG1-CG 3.26Å; T117-M205 PolarHBondContact OG1-SD 2.84Å; T117-M205 VanDerWaalsContact OG1-SD 3.36Å; L201-M205 HydrophobicContact CD1-CG 4.35Å; L201-M205 HydrophobicContact CG-SD 4.43Å; L201-M205 WeakPolarHBondContact O-CG 3.48Å; L201-M205 PolarHBondContact O-N 2.8Å; G202-M205 PolarHBondContact O-N 3.1Å; C203-M205 PolarHBondContact O-N 3.36Å; M205-H209 PolarHBondContact O-N 3.31Å; M205-M320 HydrophobicContact CE-CG 3.71Å; M205-L323 HydrophobicContact CE-CD2 4.15Å; M205-L323 HydrophobicContact CE-CG 4.48Å; M205-I324 HydrophobicContact CB-CD1 3.98Å; M205-I324 HydrophobicContact CB-CG1 3.94Å; M205-I324 HydrophobicContact CE-CD1 4.45Å; M205-I324 HydrophobicContact CE-CG1 3.92Å; M205-I324 HydrophobicContact SD-CG1 4.4Å; M205-M327 HydrophobicContact SD-CE 4.05Å; M205-M327 HydrophobicContact SD-SD 3.63Å; M205-M327 VanDerWaalsContact SD-SD 3.63Å; M205-F346 HydrophobicContact CE-CD1 4.35Å; M205-F346 HydrophobicContact CE-CE1 3.85Å
206	A	98.7	Very high	98.3	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.1	-42.8	176	0	0	0	0	0	111.4	G202 C203 V204 H209 L210 L214 I291 I324	G202-A206 PolarHBondContact O-N 2.95Å; G202-A206 VanDerWaalsContact O-N 3.16Å; C203-A206 PolarHBondContact O-N 3.43Å; V204-A206 VanDerWaalsContact C-N 3.33Å; V204-A206 PolarHBondContact O-N 3.39Å; A206-H209 PolarHBondContact O-N 3.08Å; A206-L210 HydrophobicContact CB-CD1 4.42Å; A206-L210 VanDerWaalsContact O-CB 3.29Å; A206-L210 WeakPolarHBondContact O-CB 3.44Å; A206-L210 WeakPolarHBondContact O-CG 3.49Å; A206-L210 PolarHBondContact O-N 2.87Å; A206-L214 HydrophobicContact CB-CB 3.99Å; A206-L214 HydrophobicContact CB-CD1 4.48Å; A206-L214 HydrophobicContact CB-CD2 3.81Å; A206-L214 HydrophobicContact CB-CG 4.31Å; A206-I291 HydrophobicContact CB-CD1 4.26Å; A206-I324 HydrophobicContact CB-CD1 4.42Å
207	E	98.6	Very high	98.3	Very high	5 Å²	5	5.9 Å²	5.9	2%	0.023	3%	0.028	C	C	.	.	H	α-helix	trans	-63.5	-42	178.7	179	166.3	161.4	0	0	113.2	Q100 Y181 C203 V204 H209 L210 G211 P213	Q100-E207 PolarHBondContact NE2-O 3.44Å; Q100-E207 VanDerWaalsContact NE2-O 3.14Å; Y181-E207 WeakPolarHBondContact CE1-OE2 3.33Å; Y181-E207 PolarHBondContact OH-OE1 3.23Å; Y181-E207 PolarHBondContact OH-OE2 2.95Å; C203-E207 WeakPolarHBondContact O-CB 3.39Å; C203-E207 PolarHBondContact O-N 3.23Å; V204-E207 PolarHBondContact O-N 3.09Å; E207-H209 PolarHBondContact O-N 3.37Å; E207-L210 PolarHBondContact O-N 3.02Å; E207-G211 WeakPolarHBondContact O-CA 3.43Å; E207-G211 PolarHBondContact O-N 2.74Å; E207-P213 WeakPolarHBondContact OE2-CA 3.5Å; E207-P213 WeakPolarHBondContact OE2-CB 3.19Å
208	L	98.4	Very high	98.1	Very high	1 Å²	1	7 Å²	7	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-58.9	-38.4	174.4	-68.7	176.6	0	0	0	111.7	L96 Q100 L108 I113 V116 V204	L96-L208 HydrophobicContact CB-CD2 4.37Å; L96-L208 HydrophobicContact CD1-CD1 4.17Å; L96-L208 HydrophobicContact CD1-CD2 4.36Å; Q100-L208 HydrophobicContact CG-CD2 4.03Å; L108-L208 WeakPolarHBondContact CB-O 3.29Å; L108-L208 HydrophobicContact CD2-CD2 4.36Å; L108-L208 PolarHBondContact N-O 2.89Å; I113-L208 HydrophobicContact CD1-CB 3.89Å; I113-L208 HydrophobicContact CG1-CB 3.92Å; I113-L208 HydrophobicContact CG1-CD1 4.47Å; I113-L208 HydrophobicContact CG2-CD1 4.49Å; V116-L208 HydrophobicContact CG1-CD1 4.46Å; V204-L208 HydrophobicContact CG1-CD1 4.05Å; V204-L208 HydrophobicContact CG1-CG 4.25Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.23Å; V204-L208 PolarHBondContact O-N 3.12Å
209	H	97.3	Very high	97.9	Very high	18 Å²	18	8 Å²	8	8%	0.083	4%	0.04	C	C	.	.	H	α-helix	trans	-78.9	-35.8	178.7	-171.6	61.3	0	0	0	113.5	P107 L108 I113 M205 A206 E207 N295 M320	P107-H209 WeakPolarHBondContact CA-O 3.43Å; P107-H209 WeakPolarHBondContact CB-O 3.32Å; L108-H209 PolarHBondContact O-ND1 3.04Å; I113-H209 HydrophobicContact CD1-CB 3.67Å; M205-H209 PolarHBondContact O-N 3.31Å; A206-H209 PolarHBondContact O-N 3.08Å; E207-H209 PolarHBondContact O-N 3.37Å; H209-N295 PolarHBondContact NE2-ND2 2.85Å; H209-N295 PolarHBondContact O-ND2 3.11Å; H209-M320 HydrophobicContact CB-CE 3.9Å
210	L	96.3	Very high	97.8	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.01	5%	0.048	C	C	.	.	H	α-helix	trans	-85.2	-21.4	-175.6	-68.2	172.9	0	0	0	112.9	A206 E207 W212 L214 Y283 V294	A206-L210 HydrophobicContact CB-CD1 4.42Å; A206-L210 VanDerWaalsContact O-CB 3.29Å; A206-L210 WeakPolarHBondContact O-CB 3.44Å; A206-L210 WeakPolarHBondContact O-CG 3.49Å; A206-L210 PolarHBondContact O-N 2.87Å; E207-L210 PolarHBondContact O-N 3.02Å; L210-W212 PolarHBondContact O-N 3.46Å; L210-L214 HydrophobicContact CD1-CD1 4.01Å; L210-Y283 HydrophobicContact CB-CD2 4.14Å; L210-Y283 HydrophobicContact CB-CE2 3.89Å; L210-Y283 HydrophobicContact CD1-CD2 4.41Å; L210-Y283 HydrophobicContact CD2-CD2 4.02Å; L210-Y283 HydrophobicContact CD2-CE2 4.18Å; L210-Y283 HydrophobicContact CG-CD2 4.42Å; L210-Y283 WeakPolarHBondContact O-CE2 3.42Å; L210-Y283 PolarHBondContact O-OH 3.07Å; L210-V294 HydrophobicContact CD2-CB 4.01Å; L210-V294 HydrophobicContact CD2-CG1 3.72Å; L210-V294 HydrophobicContact CD2-CG2 4.41Å
211	G	96.2	Very high	97.8	Very high	2 Å²	2	10 Å²	10	2%	0.021	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	17.2	-167.6	0	0	0	0	0	112.8	F105 E207	F105-G211 WeakPolarHBondContact CB-O 3.25Å; F105-G211 VanDerWaalsContact O-CA 3.27Å; F105-G211 WeakPolarHBondContact O-CA 3.23Å; E207-G211 WeakPolarHBondContact O-CA 3.43Å; E207-G211 PolarHBondContact O-N 2.74Å
212	W	96.9	Very high	97.8	Very high	56 Å²	56	10 Å²	10	21%	0.212	5%	0.049	C	C	.	.	S	Bend	trans	-157.8	142.7	-178.3	-164.9	-95.3	0	0	0	109.7	L210 L214 R280 K282 Y283 M423 A426	L210-W212 PolarHBondContact O-N 3.46Å; W212-L214 PolarHBondContact O-N 3.05Å; W212-R280 PolarHBondContact NE1-O 3.27Å; W212-K282 HydrophobicContact CB-CB 4.22Å; W212-K282 HydrophobicContact CB-CD 4.29Å; W212-K282 HydrophobicContact CD2-CB 3.96Å; W212-K282 HydrophobicContact CD2-CD 4.41Å; W212-K282 HydrophobicContact CG-CB 3.67Å; W212-K282 HydrophobicContact CG-CD 4.33Å; W212-Y283 HydrophobicContact CB-CD2 4.46Å; W212-Y283 HydrophobicContact CB-CE2 4.1Å; W212-M423 HydrophobicContact CZ3-CG 4.44Å; W212-A426 HydrophobicContact CH2-CB 4.14Å
213	P	98.3	Very high	97.7	Very high	19 Å²	19	10 Å²	10	12%	0.123	5%	0.049	C	C	.	.			trans	-56.2	136.4	178.2	-23.1	30.2	0	0	0	112	F180 E207 Y215 P216	F180-P213 HydrophobicContact CD2-CB 3.98Å; F180-P213 HydrophobicContact CD2-CG 4.05Å; F180-P213 HydrophobicContact CE2-CG 4.28Å; E207-P213 WeakPolarHBondContact OE2-CA 3.5Å; E207-P213 WeakPolarHBondContact OE2-CB 3.19Å; P213-Y215 PolarHBondContact O-N 3.45Å; P213-P216 HydrophobicContact CB-CB 4.15Å; P213-P216 WeakPolarHBondContact O-CD 3.48Å
214	L	98.3	Very high	97.7	Very high	8 Å²	8	9.9 Å²	9.9	4%	0.042	5%	0.048	C	C	.	.	S	Bend	trans	-63.8	-43	-179.2	179.4	62.4	0	0	0	111.7	A206 L210 W212 L285 L288 L328	A206-L214 HydrophobicContact CB-CB 3.99Å; A206-L214 HydrophobicContact CB-CD1 4.48Å; A206-L214 HydrophobicContact CB-CD2 3.81Å; A206-L214 HydrophobicContact CB-CG 4.31Å; L210-L214 HydrophobicContact CD1-CD1 4.01Å; W212-L214 PolarHBondContact O-N 3.05Å; L214-L285 HydrophobicContact CD1-CD1 3.91Å; L214-L288 HydrophobicContact CD2-CD2 4.01Å; L214-L328 HydrophobicContact CD2-CD1 3.58Å
215	Y	98.6	Very high	97.7	Very high	1 Å²	1	10.6 Å²	10.6	0%	0.004	5%	0.051	C	C	.	.			trans	-129	79	-178.7	-56	-49	0	0	0	110.9	F180 W199 P213 G217 Q223 I227 T230 Q231 L328	F180-Y215 WeakPolarHBondContact CA-O 3.2Å; W199-Y215 HydrophobicContact CZ2-CE2 4.31Å; P213-Y215 PolarHBondContact O-N 3.45Å; Y215-G217 PolarHBondContact O-N 3.19Å; Y215-Q223 PolarHBondContact O-NE2 3.09Å; Y215-Q223 PolarHBondContact O-OE1 3.34Å; Y215-I227 HydrophobicContact CD1-CG1 4.34Å; Y215-I227 HydrophobicContact CD2-CG1 3.78Å; Y215-I227 HydrophobicContact CE1-CG1 4.43Å; Y215-I227 HydrophobicContact CE2-CG1 3.89Å; Y215-I227 HydrophobicContact CG-CG1 4.02Å; Y215-T230 HydrophobicContact CE1-CG2 4.34Å; Y215-Q231 WeakPolarHBondContact OH-CG 3.43Å; Y215-L328 HydrophobicContact CE2-CD1 4.46Å
216	P	98.2	Very high	97.7	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.019	5%	0.051	C	C	.	.			trans	-83.7	54.6	-178.9	33.8	-33.3	0	0	0	112.1	F180 P213 N218 Y226 R280 R281	F180-P216 VanDerWaalsContact CE1-C 3.43Å; F180-P216 HydrophobicContact CE1-CB 4.29Å; F180-P216 HydrophobicContact CE2-CB 4.14Å; F180-P216 HydrophobicContact CZ-CB 4Å; P213-P216 HydrophobicContact CB-CB 4.15Å; P213-P216 WeakPolarHBondContact O-CD 3.48Å; P216-N218 PolarHBondContact O-N 3.32Å; P216-Y226 HydrophobicContact CG-CE2 4.22Å; P216-R280 HydrophobicContact CB-CB 4.16Å; P216-R280 HydrophobicContact CG-CB 3.98Å; P216-R280 WeakPolarHBondContact CG-O 3.48Å; P216-R280 WeakPolarHBondContact O-CB 3.37Å; P216-R281 HydrophobicContact CG-CB 4.5Å; P216-R281 HydrophobicContact CG-CG 3.88Å
217	G	97.6	Very high	97.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.051	C	C	.	.			trans	-62.9	131	-174.4	0	0	0	0	0	112.9	R179 F180 Y215 N219	R179-G217 WeakPolarHBondContact CD-O 3.31Å; F180-G217 WeakPolarHBondContact CE1-O 3.33Å; Y215-G217 PolarHBondContact O-N 3.19Å; G217-N219 VanDerWaalsContact C-N 3.31Å; G217-N219 PolarHBondContact O-N 3.37Å
218	N	95.4	Very high	97.7	Very high	27 Å²	27	10.8 Å²	10.8	14%	0.144	5%	0.053	C	C	.	.	S	Bend	trans	-72.8	-26	177.9	-171.4	73.7	0	0	0	113.1	P216 L278 L433	P216-N218 PolarHBondContact O-N 3.32Å; N218-L278 HydrophobicContact CB-CB 4.23Å; N218-L278 HydrophobicContact CB-CD1 4.17Å; N218-L278 HydrophobicContact CB-CG 4.49Å; N218-L433 WeakPolarHBondContact OD1-CD1 3.47Å
219	N	95.6	Very high	97.6	Very high	22 Å²	22	13.6 Å²	13.6	12%	0.118	7%	0.066	C	C	.	.	S	Bend	trans	-146.9	177.2	175	56.9	54.3	0	0	0	108.6	G217 Y221 D222 Q223	G217-N219 VanDerWaalsContact C-N 3.31Å; G217-N219 PolarHBondContact O-N 3.37Å; N219-Y221 VanDerWaalsContact C-N 3.27Å; N219-Y221 PolarHBondContact O-N 3.19Å; N219-Y221 WeakPolarHBondContact OD1-CA 3.04Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.37Å; N219-Y221 PolarHBondContact OD1-N 3.2Å; N219-D222 PolarHBondContact ND2-OD2 3.34Å; N219-D222 PolarHBondContact O-N 2.94Å; N219-D222 PolarHBondContact OD1-N 3.02Å; N219-Q223 PolarHBondContact O-N 3.35Å
220	E	96.7	Very high	97.7	Very high	39 Å²	39	13 Å²	13	18%	0.182	6%	0.063	C	C	.	.	H	α-helix	trans	-62.6	-31.9	-178.6	-62.6	-164.7	137	0	0	113	R182 L187 Q223 V224 F248	R182-E220 IonicContact CZ-OE1 3.56Å; R182-E220 IonicContact NH1-OE1 3.61Å; R182-E220 PolarHBondContact NH1-OE1 2.94Å; L187-E220 HydrophobicContact CD2-CB 4.08Å; L187-E220 HydrophobicContact CD2-CG 4.08Å; E220-Q223 WeakPolarHBondContact O-CB 3.49Å; E220-Q223 PolarHBondContact O-N 2.91Å; E220-V224 WeakPolarHBondContact O-CG2 3.28Å; E220-V224 PolarHBondContact O-N 2.72Å; E220-F248 HydrophobicContact CB-CE1 3.77Å; E220-F248 HydrophobicContact CB-CZ 4Å
221	Y	98.1	Very high	97.7	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-67.1	-47.5	175.1	166.9	-94.2	0	0	0	112.1	N219 Q223 V224 R225 F248 K264 S265 S266 Y269 P277	N219-Y221 VanDerWaalsContact C-N 3.27Å; N219-Y221 PolarHBondContact O-N 3.19Å; N219-Y221 WeakPolarHBondContact OD1-CA 3.04Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.37Å; N219-Y221 PolarHBondContact OD1-N 3.2Å; Y221-Q223 VanDerWaalsContact C-N 3.25Å; Y221-Q223 PolarHBondContact O-N 3.44Å; Y221-V224 PolarHBondContact O-N 2.77Å; Y221-R225 WeakPolarHBondContact O-CB 3.34Å; Y221-R225 PolarHBondContact O-N 3.14Å; Y221-F248 HydrophobicContact CD2-CD1 4.46Å; Y221-K264 HydrophobicContact CE2-CB 4.13Å; Y221-K264 PolarHBondContact OH-O 3.03Å; Y221-S265 VanDerWaalsContact OH-C 3.24Å; Y221-S265 PolarHBondContact OH-O 3.37Å; Y221-S266 PolarHBondContact OH-N 3.5Å; Y221-Y269 AromaticContact CD1-CD1 3.78Å; Y221-Y269 HydrophobicContact CD1-CD1 3.78Å; Y221-Y269 HydrophobicContact CD1-CD2 4.03Å; Y221-Y269 AromaticContact CD1-CE1 3.99Å; Y221-Y269 HydrophobicContact CD1-CE1 3.99Å; Y221-Y269 HydrophobicContact CD1-CE2 4.26Å; Y221-Y269 AromaticContact CD1-CG 3.77Å; Y221-Y269 HydrophobicContact CD1-CG 3.77Å; Y221-Y269 AromaticContact CD2-CD2 3.54Å; Y221-Y269 HydrophobicContact CD2-CD2 3.54Å; Y221-Y269 AromaticContact CD2-CE2 3.99Å; Y221-Y269 HydrophobicContact CD2-CE2 3.99Å; Y221-Y269 AromaticContact CD2-CG 3.95Å; Y221-Y269 HydrophobicContact CD2-CG 3.95Å; Y221-Y269 HydrophobicContact CE1-CD1 4.11Å; Y221-Y269 AromaticContact CE1-CG 3.96Å; Y221-Y269 HydrophobicContact CE1-CG 3.96Å; Y221-Y269 HydrophobicContact CE2-CD2 4.08Å; Y221-Y269 HydrophobicContact CE2-CG 4.12Å; Y221-Y269 HydrophobicContact CG-CD1 4.1Å; Y221-Y269 AromaticContact CG-CD2 3.51Å; Y221-Y269 HydrophobicContact CG-CD2 3.51Å; Y221-Y269 HydrophobicContact CG-CE1 4.16Å; Y221-Y269 AromaticContact CG-CE2 3.61Å; Y221-Y269 HydrophobicContact CG-CE2 3.61Å; Y221-Y269 AromaticContact CG-CG 3.76Å; Y221-Y269 HydrophobicContact CG-CG 3.76Å; Y221-Y269 AromaticContact CG-CZ 3.93Å; Y221-P277 HydrophobicContact CD1-CB 4.32Å; Y221-P277 HydrophobicContact CD1-CG 4.06Å; Y221-P277 HydrophobicContact CE1-CB 3.89Å; Y221-P277 HydrophobicContact CE1-CG 3.58Å
222	D	98.3	Very high	97.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.5	-39.2	175.2	-76.6	-31.9	0	0	0	111	N219 R225 Y226 P277 L278	N219-D222 PolarHBondContact ND2-OD2 3.34Å; N219-D222 PolarHBondContact O-N 2.94Å; N219-D222 PolarHBondContact OD1-N 3.02Å; D222-R225 PolarHBondContact O-N 3.19Å; D222-R225 IonicContact OD1-CZ 2.65Å; D222-R225 IonicContact OD1-NE 3.08Å; D222-R225 PolarHBondContact OD1-NE 3.46Å; D222-R225 IonicContact OD1-NH2 3.69Å; D222-R225 PolarHBondContact OD1-NH2 2.83Å; D222-Y226 WeakPolarHBondContact O-CB 3.25Å; D222-Y226 VanDerWaalsContact O-CD1 3.3Å; D222-Y226 WeakPolarHBondContact O-CD1 3.43Å; D222-Y226 WeakPolarHBondContact O-CD2 3.44Å; D222-Y226 PolarHBondContact O-N 3.17Å; D222-P277 WeakPolarHBondContact OD1-CB 3.42Å; D222-L278 PolarHBondContact OD2-N 3.4Å
223	Q	98.5	Very high	97.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.5	-54.7	175.2	-168.1	67.5	22.6	0	0	111.6	R179 F180 L187 Y215 N219 E220 Y221 R225 Y226 I227	R179-Q223 HydrophobicContact CG-CB 4.22Å; R179-Q223 HydrophobicContact CG-CG 4.17Å; R179-Q223 PolarHBondContact O-NE2 3.11Å; F180-Q223 PolarHBondContact O-NE2 2.83Å; L187-Q223 HydrophobicContact CD1-CB 4.4Å; L187-Q223 HydrophobicContact CD1-CG 3.72Å; L187-Q223 HydrophobicContact CD2-CB 4.33Å; L187-Q223 HydrophobicContact CD2-CG 4.17Å; Y215-Q223 PolarHBondContact O-NE2 3.09Å; Y215-Q223 PolarHBondContact O-OE1 3.34Å; N219-Q223 PolarHBondContact O-N 3.35Å; E220-Q223 WeakPolarHBondContact O-CB 3.49Å; E220-Q223 PolarHBondContact O-N 2.91Å; Y221-Q223 VanDerWaalsContact C-N 3.25Å; Y221-Q223 PolarHBondContact O-N 3.44Å; Q223-R225 VanDerWaalsContact C-N 3.31Å; Q223-R225 PolarHBondContact O-N 3.37Å; Q223-Y226 PolarHBondContact O-N 2.78Å; Q223-I227 HydrophobicContact CG-CD1 4.36Å; Q223-I227 VanDerWaalsContact O-CG1 3.31Å; Q223-I227 WeakPolarHBondContact O-CG1 3.02Å; Q223-I227 PolarHBondContact O-N 3.1Å; Q223-I227 VanDerWaalsContact O-N 3.15Å
224	V	98.6	Very high	97.5	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-41.1	179.2	171.3	0	0	0	0	111.1	L187 E220 Y221 I227 C228 F248 F249 L263	L187-V224 HydrophobicContact CB-CG2 3.86Å; L187-V224 HydrophobicContact CD1-CG2 3.93Å; L187-V224 HydrophobicContact CD2-CG2 4.42Å; L187-V224 HydrophobicContact CG-CG2 4.29Å; E220-V224 WeakPolarHBondContact O-CG2 3.28Å; E220-V224 PolarHBondContact O-N 2.72Å; Y221-V224 PolarHBondContact O-N 2.77Å; V224-I227 PolarHBondContact O-N 2.7Å; V224-C228 WeakPolarHBondContact O-CB 3.07Å; V224-C228 PolarHBondContact O-N 3.11Å; V224-C228 PolarHBondContact O-SG 2.89Å; V224-F248 HydrophobicContact CB-CB 4.43Å; V224-F248 HydrophobicContact CB-CD1 4.22Å; V224-F248 HydrophobicContact CB-CG 4.17Å; V224-F248 HydrophobicContact CG1-CB 3.94Å; V224-F248 HydrophobicContact CG1-CD2 4.47Å; V224-F248 HydrophobicContact CG1-CG 4.1Å; V224-F248 HydrophobicContact CG2-CD1 4.08Å; V224-F248 HydrophobicContact CG2-CD2 4.08Å; V224-F248 HydrophobicContact CG2-CE1 4.14Å; V224-F248 HydrophobicContact CG2-CE2 4.16Å; V224-F248 HydrophobicContact CG2-CG 4.03Å; V224-F248 HydrophobicContact CG2-CZ 4.17Å; V224-F249 HydrophobicContact CG1-CE2 3.9Å; V224-F249 HydrophobicContact CG1-CZ 3.62Å; V224-L263 HydrophobicContact CG1-CD1 4.27Å
225	R	98.3	Very high	97.3	Very high	16 Å²	16	20.4 Å²	20.4	6%	0.06	11%	0.108	C	C	.	.	H	α-helix	trans	-61.1	-46.9	177.6	175.1	171.6	66.8	82.3	-3.4	111.6	Y221 D222 Q223 I227 C228 E229 L263 L278 E279	Y221-R225 WeakPolarHBondContact O-CB 3.34Å; Y221-R225 PolarHBondContact O-N 3.14Å; D222-R225 PolarHBondContact O-N 3.19Å; D222-R225 IonicContact OD1-CZ 2.65Å; D222-R225 IonicContact OD1-NE 3.08Å; D222-R225 PolarHBondContact OD1-NE 3.46Å; D222-R225 IonicContact OD1-NH2 3.69Å; D222-R225 PolarHBondContact OD1-NH2 2.83Å; Q223-R225 VanDerWaalsContact C-N 3.31Å; Q223-R225 PolarHBondContact O-N 3.37Å; R225-I227 VanDerWaalsContact C-N 3.33Å; R225-I227 PolarHBondContact O-N 2.98Å; R225-C228 PolarHBondContact O-N 3.33Å; R225-E229 WeakPolarHBondContact CD-OE1 3.3Å; R225-E229 HydrophobicContact CG-CG 4.21Å; R225-E229 WeakPolarHBondContact CG-OE1 3.31Å; R225-E229 IonicContact CZ-OE1 3.57Å; R225-E229 IonicContact NH1-OE1 3.45Å; R225-E229 PolarHBondContact NH1-OE1 3.16Å; R225-E229 WeakPolarHBondContact O-CB 3.42Å; R225-E229 WeakPolarHBondContact O-CG 3.33Å; R225-E229 PolarHBondContact O-N 3.25Å; R225-L263 HydrophobicContact CB-CD2 3.99Å; R225-L263 HydrophobicContact CG-CD2 3.83Å; R225-L278 PolarHBondContact NH2-O 3.28Å; R225-E279 IonicContact NH1-OE2 2.75Å
226	Y	98.6	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.3	-42.2	178.4	-65.1	-12.6	0	0	0	112.1	P216 D222 Q223 E229 T230 L278 E279 R280 R281	P216-Y226 HydrophobicContact CG-CE2 4.22Å; D222-Y226 WeakPolarHBondContact O-CB 3.25Å; D222-Y226 VanDerWaalsContact O-CD1 3.3Å; D222-Y226 WeakPolarHBondContact O-CD1 3.43Å; D222-Y226 WeakPolarHBondContact O-CD2 3.44Å; D222-Y226 PolarHBondContact O-N 3.17Å; Q223-Y226 PolarHBondContact O-N 2.78Å; Y226-E229 PolarHBondContact O-N 3Å; Y226-T230 PolarHBondContact O-N 3.33Å; Y226-T230 PolarHBondContact O-OG1 3.33Å; Y226-L278 PolarHBondContact OH-O 3.32Å; Y226-E279 WeakPolarHBondContact OH-CA 3.21Å; Y226-R280 PolarHBondContact OH-N 2.8Å; Y226-R281 VanDerWaalsContact CD1-NE 3.26Å; Y226-R281 HydrophobicContact CD2-CG 3.97Å; Y226-R281 HydrophobicContact CE2-CG 3.98Å; Y226-R281 HydrophobicContact CG-CG 4.3Å
227	I	98.6	Very high	96.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-47.3	175.3	-61	165.2	0	0	0	110	L187 W199 Y215 Q223 V224 R225 E229 T230 Q231 W330	L187-I227 HydrophobicContact CD1-CD1 3.81Å; W199-I227 HydrophobicContact CH2-CD1 4.36Å; W199-I227 HydrophobicContact CH2-CG2 3.9Å; W199-I227 HydrophobicContact CZ2-CD1 3.77Å; W199-I227 HydrophobicContact CZ2-CG1 4.14Å; W199-I227 HydrophobicContact CZ2-CG2 4.26Å; Y215-I227 HydrophobicContact CD1-CG1 4.34Å; Y215-I227 HydrophobicContact CD2-CG1 3.78Å; Y215-I227 HydrophobicContact CE1-CG1 4.43Å; Y215-I227 HydrophobicContact CE2-CG1 3.89Å; Y215-I227 HydrophobicContact CG-CG1 4.02Å; Q223-I227 HydrophobicContact CG-CD1 4.36Å; Q223-I227 VanDerWaalsContact O-CG1 3.31Å; Q223-I227 WeakPolarHBondContact O-CG1 3.02Å; Q223-I227 PolarHBondContact O-N 3.1Å; Q223-I227 VanDerWaalsContact O-N 3.15Å; V224-I227 PolarHBondContact O-N 2.7Å; R225-I227 VanDerWaalsContact C-N 3.33Å; R225-I227 PolarHBondContact O-N 2.98Å; I227-E229 PolarHBondContact O-N 3.26Å; I227-T230 PolarHBondContact O-N 3.08Å; I227-Q231 WeakPolarHBondContact O-CB 3.4Å; I227-Q231 PolarHBondContact O-N 2.83Å; I227-W330 HydrophobicContact CB-CH2 4.3Å; I227-W330 HydrophobicContact CB-CZ2 4.25Å; I227-W330 HydrophobicContact CG2-CH2 3.69Å; I227-W330 HydrophobicContact CG2-CZ2 3.39Å; I227-W330 HydrophobicContact CG2-CZ3 4.45Å
228	C	98.2	Very high	96.7	Very high	10 Å²	10	28.2 Å²	28.2	7%	0.068	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-39.3	-179.7	-67.7	0	0	0	0	113.1	V224 R225 T230 G232 L233 L263	V224-C228 WeakPolarHBondContact O-CB 3.07Å; V224-C228 PolarHBondContact O-N 3.11Å; V224-C228 PolarHBondContact O-SG 2.89Å; R225-C228 PolarHBondContact O-N 3.33Å; C228-T230 VanDerWaalsContact C-N 3.25Å; C228-T230 PolarHBondContact O-N 3.48Å; C228-G232 WeakPolarHBondContact CA-O 3.44Å; C228-G232 CarbonylContact O-C 3.5Å; C228-G232 WeakPolarHBondContact O-CA 3.38Å; C228-G232 PolarHBondContact O-N 3.28Å; C228-L233 HydrophobicContact CB-CD2 4.27Å; C228-L263 HydrophobicContact CB-CD2 4.2Å
229	E	97.7	Very high	96.7	Very high	60 Å²	60	27 Å²	27	28%	0.28	14%	0.142	S	C	.	.	H	α-helix	trans	-68.1	-25.9	179.3	-74.5	177.7	-160.3	0	0	112.9	R225 Y226 I227 R281	R225-E229 WeakPolarHBondContact CD-OE1 3.3Å; R225-E229 HydrophobicContact CG-CG 4.21Å; R225-E229 WeakPolarHBondContact CG-OE1 3.31Å; R225-E229 IonicContact CZ-OE1 3.57Å; R225-E229 IonicContact NH1-OE1 3.45Å; R225-E229 PolarHBondContact NH1-OE1 3.16Å; R225-E229 WeakPolarHBondContact O-CB 3.42Å; R225-E229 WeakPolarHBondContact O-CG 3.33Å; R225-E229 PolarHBondContact O-N 3.25Å; Y226-E229 PolarHBondContact O-N 3Å; I227-E229 PolarHBondContact O-N 3.26Å; E229-R281 IonicContact OE1-NH2 2.76Å; E229-R281 IonicContact OE2-CZ 3.23Å; E229-R281 IonicContact OE2-NH1 3.95Å; E229-R281 PolarHBondContact OE2-NH1 2.97Å; E229-R281 IonicContact OE2-NH2 2.91Å; E229-R281 PolarHBondContact OE2-NH2 3.07Å
230	T	98.3	Very high	96.6	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-95.3	-34.7	178.7	-60.3	0	0	0	0	113.4	Y215 Y226 I227 C228 L285 K286 S287 L288	Y215-T230 HydrophobicContact CE1-CG2 4.34Å; Y226-T230 PolarHBondContact O-N 3.33Å; Y226-T230 PolarHBondContact O-OG1 3.33Å; I227-T230 PolarHBondContact O-N 3.08Å; C228-T230 VanDerWaalsContact C-N 3.25Å; C228-T230 PolarHBondContact O-N 3.48Å; T230-L285 VanDerWaalsContact CA-O 3.32Å; T230-L285 WeakPolarHBondContact CA-O 3.31Å; T230-L285 WeakPolarHBondContact CB-O 3.42Å; T230-L285 HydrophobicContact CG2-CB 3.93Å; T230-L285 PolarHBondContact OG1-O 3.28Å; T230-K286 CarbonylContact O-C 3.52Å; T230-K286 VanDerWaalsContact O-O 3.14Å; T230-S287 VanDerWaalsContact O-CA 3.29Å; T230-S287 WeakPolarHBondContact O-CA 3.26Å; T230-L288 HydrophobicContact CG2-CD2 3.86Å; T230-L288 HydrophobicContact CG2-CG 4.26Å
231	Q	97.9	Very high	96.5	Very high	50 Å²	50	32.6 Å²	32.6	23%	0.234	18%	0.179	C	C	.	.	H	α-helix	trans	-115.1	-0.5	-172.3	-54.5	-162.9	108.1	0	0	113.8	Y215 I227 L288 L328	Y215-Q231 WeakPolarHBondContact OH-CG 3.43Å; I227-Q231 WeakPolarHBondContact O-CB 3.4Å; I227-Q231 PolarHBondContact O-N 2.83Å; Q231-L288 HydrophobicContact CG-CD1 4.4Å; Q231-L288 HydrophobicContact CG-CG 4.25Å; Q231-L328 PolarHBondContact NE2-O 3.44Å; Q231-L328 PolarHBondContact OE1-O 3.4Å; Q231-L328 VanDerWaalsContact OE1-O 3.07Å
232	G	96.6	Very high	96.4	Very high	36 Å²	36	33 Å²	33	37%	0.371	18%	0.182	S	C	.	.			trans	77.6	174.1	-169.5	0	0	0	0	0	112.9	C228 W330	C228-G232 WeakPolarHBondContact CA-O 3.44Å; C228-G232 CarbonylContact O-C 3.5Å; C228-G232 WeakPolarHBondContact O-CA 3.38Å; C228-G232 PolarHBondContact O-N 3.28Å; G232-W330 PolarHBondContact O-NE1 3.36Å
233	L	95.5	Very high	96.3	Very high	70 Å²	70	38.4 Å²	38.4	37%	0.366	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-69.5	145.5	179	-64.8	173.1	0	0	0	111	C228 F249 L263	C228-L233 HydrophobicContact CB-CD2 4.27Å; L233-F249 HydrophobicContact CD2-CD1 4.26Å; L233-F249 HydrophobicContact CD2-CE1 3.71Å; L233-L263 HydrophobicContact CD2-CB 4.01Å
234	P	94.8	Very high	96.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-60.3	151.8	169.2	22.8	-28.9	0	0	0	110.9	L238 L239 F249 W330	P234-L238 HydrophobicContact CB-CB 4.4Å; P234-L238 HydrophobicContact CB-CD1 4.06Å; P234-L239 HydrophobicContact CB-CG 4.48Å; P234-L239 HydrophobicContact CG-CD1 4.08Å; P234-L239 HydrophobicContact CG-CD2 3.59Å; P234-L239 HydrophobicContact CG-CG 3.8Å; P234-F249 HydrophobicContact CG-CZ 4.16Å; P234-W330 HydrophobicContact CB-CD2 3.8Å; P234-W330 HydrophobicContact CB-CE3 3.7Å; P234-W330 HydrophobicContact CB-CG 4.31Å; P234-W330 HydrophobicContact CB-CH2 4.36Å; P234-W330 HydrophobicContact CB-CZ2 4.42Å; P234-W330 HydrophobicContact CB-CZ3 4Å; P234-W330 HydrophobicContact CG-CD2 4.44Å; P234-W330 HydrophobicContact CG-CE3 4.15Å; P234-W330 HydrophobicContact CG-CH2 3.97Å; P234-W330 HydrophobicContact CG-CZ2 4.25Å; P234-W330 HydrophobicContact CG-CZ3 3.91Å
235	K	93.8	Very high	96	Very high	86 Å²	86	39.3 Å²	39.3	37%	0.374	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-56.4	144.3	178.5	-65.6	-179	-162.3	136.6	0	110.2	H237 L238 E331 E334	K235-H237 VanDerWaalsContact C-N 3.26Å; K235-H237 PolarHBondContact O-N 2.76Å; K235-H237 VanDerWaalsContact O-N 3.1Å; K235-L238 WeakPolarHBondContact O-CB 3.27Å; K235-L238 PolarHBondContact O-N 3.44Å; K235-E331 WeakPolarHBondContact CD-OE1 3.38Å; K235-E331 WeakPolarHBondContact CE-OE1 3.31Å; K235-E331 VanDerWaalsContact CG-OE1 3.31Å; K235-E331 WeakPolarHBondContact CG-OE1 3.31Å; K235-E331 VanDerWaalsContact NZ-CD 3.35Å; K235-E331 IonicContact NZ-OE1 3.5Å; K235-E331 PolarHBondContact NZ-OE1 2.88Å; K235-E331 IonicContact NZ-OE2 3.5Å; K235-E334 IonicContact NZ-OE1 3.16Å; K235-E334 PolarHBondContact NZ-OE1 3.4Å; K235-E334 IonicContact NZ-OE2 2.88Å; K235-E334 PolarHBondContact NZ-OE2 3.16Å
236	P	93.1	Very high	95.8	Very high	46 Å²	46	43.7 Å²	43.7	30%	0.299	23%	0.228	S	C	.	.	H	α-helix	trans	-54.3	-37.8	-174.1	-29.5	35.2	0	0	0	114.2	L238 L239 H240 P260	P236-L238 VanDerWaalsContact C-N 3.28Å; P236-L238 PolarHBondContact O-N 3.03Å; P236-L239 PolarHBondContact O-N 2.75Å; P236-L239 VanDerWaalsContact O-N 3.11Å; P236-H240 PolarHBondContact O-N 2.6Å; P236-H240 PolarHBondContact O-ND1 3.12Å; P236-P260 HydrophobicContact CB-CG 4.41Å
237	H	93.3	Very high	95.7	Very high	103 Å²	103	47.6 Å²	47.6	48%	0.477	25%	0.246	S	C	.	.	H	α-helix	trans	-62.4	-33.5	-179.6	68.9	-96.7	0	0	0	112.9	K235 H240 A241	K235-H237 VanDerWaalsContact C-N 3.26Å; K235-H237 PolarHBondContact O-N 2.76Å; K235-H237 VanDerWaalsContact O-N 3.1Å; H237-H240 PolarHBondContact O-N 2.85Å; H237-A241 PolarHBondContact O-N 3.48Å; H237-A241 VanDerWaalsContact O-N 3.11Å
238	L	94.6	Very high	95.6	Very high	20 Å²	20	47.8 Å²	47.8	11%	0.105	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-43.9	173.5	-69.6	179.9	0	0	0	110.7	L190 P234 K235 P236 H240 A241 A242 W330 E331	L190-L238 HydrophobicContact CD1-CB 4.48Å; L190-L238 HydrophobicContact CD1-CD2 4.23Å; P234-L238 HydrophobicContact CB-CB 4.4Å; P234-L238 HydrophobicContact CB-CD1 4.06Å; K235-L238 WeakPolarHBondContact O-CB 3.27Å; K235-L238 PolarHBondContact O-N 3.44Å; P236-L238 VanDerWaalsContact C-N 3.28Å; P236-L238 PolarHBondContact O-N 3.03Å; L238-H240 VanDerWaalsContact C-N 3.34Å; L238-H240 PolarHBondContact O-N 3.35Å; L238-A241 PolarHBondContact O-N 3.32Å; L238-A242 WeakPolarHBondContact O-CB 3.22Å; L238-A242 PolarHBondContact O-N 3.39Å; L238-W330 HydrophobicContact CD1-CB 4.19Å; L238-E331 HydrophobicContact CD1-CG 3.93Å; L238-E331 HydrophobicContact CD2-CG 4.35Å; L238-E331 HydrophobicContact CG-CG 4.42Å
239	L	95.2	Very high	95.6	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-67.5	-33	179.2	-66.9	179	0	0	0	112.9	P234 P236 A245 F249 W261	P234-L239 HydrophobicContact CB-CG 4.48Å; P234-L239 HydrophobicContact CG-CD1 4.08Å; P234-L239 HydrophobicContact CG-CD2 3.59Å; P234-L239 HydrophobicContact CG-CG 3.8Å; P236-L239 PolarHBondContact O-N 2.75Å; P236-L239 VanDerWaalsContact O-N 3.11Å; L239-A245 HydrophobicContact CD2-CB 4.42Å; L239-A245 WeakPolarHBondContact O-CB 3.38Å; L239-F249 HydrophobicContact CD1-CD1 4.21Å; L239-F249 HydrophobicContact CD1-CE1 4.44Å; L239-F249 HydrophobicContact CD1-CG 4.32Å; L239-F249 HydrophobicContact CD2-CD1 4.44Å; L239-F249 HydrophobicContact CD2-CD2 3.55Å; L239-F249 HydrophobicContact CD2-CE1 4.37Å; L239-F249 HydrophobicContact CD2-CE2 3.47Å; L239-F249 VanDerWaalsContact CD2-CE2 3.47Å; L239-F249 HydrophobicContact CD2-CG 4.08Å; L239-F249 HydrophobicContact CD2-CZ 3.91Å; L239-W261 HydrophobicContact CB-CD2 4.03Å; L239-W261 HydrophobicContact CB-CG 3.91Å; L239-W261 HydrophobicContact CD1-CB 3.41Å; L239-W261 VanDerWaalsContact CD1-CB 3.41Å; L239-W261 HydrophobicContact CD1-CD2 4.23Å; L239-W261 HydrophobicContact CD1-CG 3.57Å; L239-W261 HydrophobicContact CG-CG 4.4Å
240	H	94	Very high	95.4	Very high	111 Å²	111	47.8 Å²	47.8	51%	0.514	25%	0.245	S	C	.	.	H	α-helix	trans	-68.9	-35.1	173.2	-68.8	94.8	0	0	0	112.4	P236 H237 L238 R251 W261	P236-H240 PolarHBondContact O-N 2.6Å; P236-H240 PolarHBondContact O-ND1 3.12Å; H237-H240 PolarHBondContact O-N 2.85Å; L238-H240 VanDerWaalsContact C-N 3.34Å; L238-H240 PolarHBondContact O-N 3.35Å; H240-R251 PolarHBondContact NE2-NH1 3.46Å; H240-W261 AromaticContact CD2-NE1 3.84Å; H240-W261 AromaticContact CE1-CD1 3.9Å; H240-W261 AromaticContact CE1-NE1 3.35Å; H240-W261 PolarHBondContact CE1-NE1 2.91Å; H240-W261 VanDerWaalsContact CE1-NE1 3.35Å; H240-W261 AromaticContact CG-NE1 3.88Å; H240-W261 AromaticContact ND1-NE1 3.58Å; H240-W261 AromaticContact NE2-NE1 3.48Å; H240-W261 PolarHBondContact NE2-NE1 3.49Å
241	A	94.6	Very high	95.1	Very high	66 Å²	66	54.5 Å²	54.5	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-80.6	-21.7	177.1	0	0	0	0	0	113.4	L190 H237 L238 R243	L190-A241 HydrophobicContact CD2-CB 3.83Å; H237-A241 PolarHBondContact O-N 3.48Å; H237-A241 VanDerWaalsContact O-N 3.11Å; L238-A241 PolarHBondContact O-N 3.32Å; A241-R243 PolarHBondContact O-N 2.87Å
242	A	95.6	Very high	94.5	Very high	10 Å²	10	54.4 Å²	54.4	8%	0.083	27%	0.271	C	S	.	.			trans	-73.5	119.5	-174	0	0	0	0	0	112.4	L188 L190 L238 K244 A245	L188-A242 HydrophobicContact CB-CB 3.82Å; L188-A242 CarbonylContact O-C 3.6Å; L188-A242 WeakPolarHBondContact O-CB 3.46Å; L190-A242 HydrophobicContact CD2-CB 3.92Å; L190-A242 HydrophobicContact CG-CB 4.06Å; L238-A242 WeakPolarHBondContact O-CB 3.22Å; L238-A242 PolarHBondContact O-N 3.39Å; A242-K244 VanDerWaalsContact C-N 3.31Å; A242-K244 PolarHBondContact O-N 2.87Å; A242-A245 HydrophobicContact CB-CB 3.87Å; A242-A245 WeakPolarHBondContact O-CB 3.37Å; A242-A245 PolarHBondContact O-N 3.28Å
243	R	95.8	Very high	93.8	Very high	114 Å²	114	57.9 Å²	57.9	43%	0.43	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.6	-179.1	-61.1	169.4	61.3	105.4	3.4	112.6	K172 E173 L188 G189 A241 H246	K172-R243 VanDerWaalsContact CD-NH1 3.32Å; E173-R243 IonicContact OE1-CZ 3.18Å; E173-R243 VanDerWaalsContact OE1-CZ 3.25Å; E173-R243 IonicContact OE1-NE 3.55Å; E173-R243 PolarHBondContact OE1-NE 3.31Å; E173-R243 IonicContact OE1-NH2 2.73Å; E173-R243 PolarHBondContact OE1-NH2 3.16Å; L188-R243 PolarHBondContact O-N 3.32Å; G189-R243 VanDerWaalsContact O-CD 3.27Å; G189-R243 WeakPolarHBondContact O-CD 3.33Å; G189-R243 VanDerWaalsContact O-CG 3.28Å; G189-R243 WeakPolarHBondContact O-CG 3.39Å; G189-R243 PolarHBondContact O-N 3.18Å; A241-R243 PolarHBondContact O-N 2.87Å; R243-H246 PolarHBondContact O-CE1 3.15Å; R243-H246 VanDerWaalsContact O-CE1 3.31Å; R243-H246 PolarHBondContact O-ND1 2.86Å; R243-H246 VanDerWaalsContact O-ND1 3.16Å
244	K	95.8	Very high	93.1	Very high	17 Å²	17	60 Å²	60	7%	0.074	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	9.1	-178.7	-58.7	177.6	178.1	177.7	0	113.1	E173 L187 L188 A242 H246 H247 F248	E173-K244 WeakPolarHBondContact OE2-CE 3.47Å; L187-K244 WeakPolarHBondContact O-CD 3.33Å; L188-K244 WeakPolarHBondContact O-CB 3.37Å; L188-K244 PolarHBondContact O-N 3.4Å; A242-K244 VanDerWaalsContact C-N 3.31Å; A242-K244 PolarHBondContact O-N 2.87Å; K244-H246 PolarHBondContact O-N 2.97Å; K244-H247 WeakPolarHBondContact O-CB 3.1Å; K244-H247 PolarHBondContact O-N 3.19Å; K244-F248 HydrophobicContact CB-CE2 4Å; K244-F248 VanDerWaalsContact O-CD2 3.28Å; K244-F248 WeakPolarHBondContact O-CD2 3.41Å; K244-F248 WeakPolarHBondContact O-CE2 3.36Å
245	A	95.8	Very high	91.9	Very high	3 Å²	3	65.6 Å²	65.6	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-54.2	-42	-178.5	0	0	0	0	0	112.4	L239 A242 H247 F248 F249 W261	L239-A245 HydrophobicContact CD2-CB 4.42Å; L239-A245 WeakPolarHBondContact O-CB 3.38Å; A242-A245 HydrophobicContact CB-CB 3.87Å; A242-A245 WeakPolarHBondContact O-CB 3.37Å; A242-A245 PolarHBondContact O-N 3.28Å; A245-H247 PolarHBondContact O-N 3.36Å; A245-H247 VanDerWaalsContact O-N 3.13Å; A245-F248 PolarHBondContact O-N 3.23Å; A245-F249 WeakPolarHBondContact O-CD2 3.09Å; A245-F249 PolarHBondContact O-N 3.36Å; A245-W261 HydrophobicContact CB-CH2 4.27Å; A245-W261 HydrophobicContact CB-CZ3 4.41Å
246	H	95.1	Very high	91	Very high	109 Å²	109	67.8 Å²	67.8	51%	0.505	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-17	-178.6	69	-79.7	0	0	0	114.3	R243 K244 K264	R243-H246 PolarHBondContact O-CE1 3.15Å; R243-H246 VanDerWaalsContact O-CE1 3.31Å; R243-H246 PolarHBondContact O-ND1 2.86Å; R243-H246 VanDerWaalsContact O-ND1 3.16Å; K244-H246 PolarHBondContact O-N 2.97Å; H246-K264 WeakPolarHBondContact O-CE 3.47Å; H246-K264 PolarHBondContact O-NZ 3.13Å
247	H	95.8	Very high	90.2	Very high	82 Å²	82	67 Å²	67	38%	0.38	34%	0.344	S	S	.	.	H	α-helix	trans	-71.1	-34.1	173.2	-67.2	174.6	0	0	0	111.8	K244 A245 K264	K244-H247 WeakPolarHBondContact O-CB 3.1Å; K244-H247 PolarHBondContact O-N 3.19Å; A245-H247 PolarHBondContact O-N 3.36Å; A245-H247 VanDerWaalsContact O-N 3.13Å; H247-K264 PolarHBondContact O-NZ 3.28Å
248	F	97.1	Very high	89.4	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.018	37%	0.365	C	S	.	.	H	α-helix	trans	-112.1	-28.5	-169.6	-41.2	-67.4	0	0	0	113.3	L187 L188 E220 Y221 V224 K244 A245 L263 K264	L187-F248 VanDerWaalsContact O-CE2 3.28Å; L187-F248 WeakPolarHBondContact O-CE2 3.36Å; L188-F248 HydrophobicContact CD2-CD2 3.89Å; L188-F248 HydrophobicContact CD2-CE2 4.19Å; E220-F248 HydrophobicContact CB-CE1 3.77Å; E220-F248 HydrophobicContact CB-CZ 4Å; Y221-F248 HydrophobicContact CD2-CD1 4.46Å; V224-F248 HydrophobicContact CB-CB 4.43Å; V224-F248 HydrophobicContact CB-CD1 4.22Å; V224-F248 HydrophobicContact CB-CG 4.17Å; V224-F248 HydrophobicContact CG1-CB 3.94Å; V224-F248 HydrophobicContact CG1-CD2 4.47Å; V224-F248 HydrophobicContact CG1-CG 4.1Å; V224-F248 HydrophobicContact CG2-CD1 4.08Å; V224-F248 HydrophobicContact CG2-CD2 4.08Å; V224-F248 HydrophobicContact CG2-CE1 4.14Å; V224-F248 HydrophobicContact CG2-CE2 4.16Å; V224-F248 HydrophobicContact CG2-CG 4.03Å; V224-F248 HydrophobicContact CG2-CZ 4.17Å; K244-F248 HydrophobicContact CB-CE2 4Å; K244-F248 VanDerWaalsContact O-CD2 3.28Å; K244-F248 WeakPolarHBondContact O-CD2 3.41Å; K244-F248 WeakPolarHBondContact O-CE2 3.36Å; A245-F248 PolarHBondContact O-N 3.23Å; F248-L263 HydrophobicContact CB-CD1 4.46Å; F248-L263 WeakPolarHBondContact O-CD1 3.39Å; F248-K264 WeakPolarHBondContact O-CB 3.34Å; F248-K264 WeakPolarHBondContact O-CG 3.43Å; F248-K264 PolarHBondContact O-N 3.23Å
249	F	97	Very high	88.7	Confident	3 Å²	3	70 Å²	70	1%	0.013	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154.7	-173.8	-53.7	-87.7	0	0	0	111.1	L188 V224 L233 P234 L239 A245 W261 Q262 L263 K264	L188-F249 HydrophobicContact CD2-CE2 3.75Å; V224-F249 HydrophobicContact CG1-CE2 3.9Å; V224-F249 HydrophobicContact CG1-CZ 3.62Å; L233-F249 HydrophobicContact CD2-CD1 4.26Å; L233-F249 HydrophobicContact CD2-CE1 3.71Å; P234-F249 HydrophobicContact CG-CZ 4.16Å; L239-F249 HydrophobicContact CD1-CD1 4.21Å; L239-F249 HydrophobicContact CD1-CE1 4.44Å; L239-F249 HydrophobicContact CD1-CG 4.32Å; L239-F249 HydrophobicContact CD2-CD1 4.44Å; L239-F249 HydrophobicContact CD2-CD2 3.55Å; L239-F249 HydrophobicContact CD2-CE1 4.37Å; L239-F249 HydrophobicContact CD2-CE2 3.47Å; L239-F249 VanDerWaalsContact CD2-CE2 3.47Å; L239-F249 HydrophobicContact CD2-CG 4.08Å; L239-F249 HydrophobicContact CD2-CZ 3.91Å; A245-F249 WeakPolarHBondContact O-CD2 3.09Å; A245-F249 PolarHBondContact O-N 3.36Å; F249-W261 HydrophobicContact CB-CE3 3.69Å; F249-W261 HydrophobicContact CB-CZ3 4.19Å; F249-Q262 CarbonylContact C-O 3.1Å; F249-Q262 VanDerWaalsContact CA-O 3.23Å; F249-Q262 WeakPolarHBondContact CA-O 3.31Å; F249-Q262 WeakPolarHBondContact CB-O 3.32Å; F249-L263 HydrophobicContact CD1-CB 4.15Å; F249-L263 HydrophobicContact CD1-CD1 3.95Å; F249-L263 HydrophobicContact CE1-CB 4.2Å; F249-L263 HydrophobicContact CE1-CD1 3.58Å; F249-L263 HydrophobicContact CZ-CD1 4.04Å; F249-K264 WeakPolarHBondContact O-CE 3.46Å
250	K	94.3	Very high	88.3	Confident	66 Å²	66	71.4 Å²	71.4	29%	0.287	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	160.9	171.3	64.5	-177.4	-175.3	-177.8	0	109.8	Q262 K264 D268	K250-Q262 VanDerWaalsContact CE-OE1 3.31Å; K250-Q262 HydrophobicContact CG-CB 4.32Å; K250-Q262 PolarHBondContact N-O 2.64Å; K250-Q262 PolarHBondContact O-N 2.94Å; K250-K264 HydrophobicContact CB-CG 4.25Å; K250-K264 HydrophobicContact CG-CG 4.44Å; K250-D268 VanDerWaalsContact NZ-CG 3.35Å; K250-D268 IonicContact NZ-OD1 3.44Å; K250-D268 PolarHBondContact NZ-OD1 3.12Å; K250-D268 IonicContact NZ-OD2 2.71Å; K250-D268 PolarHBondContact NZ-OD2 3.09Å
251	R	91.2	Very high	88.3	Confident	145 Å²	145	67.8 Å²	67.8	55%	0.547	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	139.7	172.2	-68.5	-67.3	-67.5	-170.1	-3.8	109.6	H240 P260	H240-R251 PolarHBondContact NE2-NH1 3.46Å; R251-P260 WeakPolarHBondContact CA-O 3.32Å
252	N	85.9	Confident	88.3	Confident	49 Å²	49	68.3 Å²	68.3	26%	0.262	35%	0.352	S	S	.	.			trans	-64.8	126.2	172.9	-162.9	-35.9	0	0	0	108.5	H254 A257 N259 P260	N252-H254 PolarHBondContact O-N 3.48Å; N252-H254 PolarHBondContact OD1-N 2.67Å; N252-H254 VanDerWaalsContact OD1-N 3.13Å; N252-A257 HydrophobicContact CB-CB 4.13Å; N252-A257 VanDerWaalsContact CG-CB 3.48Å; N252-A257 WeakPolarHBondContact ND2-CB 3.01Å; N252-N259 WeakPolarHBondContact CB-O 3.35Å; N252-N259 PolarHBondContact ND2-O 2.83Å; N252-P260 PolarHBondContact N-O 2.75Å
253	P	81.3	Confident	88.3	Confident	109 Å²	109	69.2 Å²	69.2	71%	0.708	36%	0.355	S	S	*	.	S	Bend	trans	-66.9	-19.4	179.6	26	-35	0	0	0	112.9	P255	P253-P255 WeakPolarHBondContact O-CD 3.44Å
254	H	81.6	Confident	88.3	Confident	113 Å²	113	64.3 Å²	64.3	52%	0.523	34%	0.337	S	S	.	.	S	Bend	trans	-89.6	115	177.6	-160.6	-28.4	0	0	0	110.4	N252 D256 A257	N252-H254 PolarHBondContact O-N 3.48Å; N252-H254 PolarHBondContact OD1-N 2.67Å; N252-H254 VanDerWaalsContact OD1-N 3.13Å; H254-D256 VanDerWaalsContact C-N 3.27Å; H254-D256 IonicContact CE1-OD2 2.89Å; H254-D256 PolarHBondContact CE1-OD2 3.28Å; H254-D256 PolarHBondContact ND1-N 3.44Å; H254-D256 IonicContact ND1-OD2 3.56Å; H254-D256 PolarHBondContact O-N 3.38Å; H254-A257 HydrophobicContact CB-CB 4.33Å; H254-A257 VanDerWaalsContact O-CB 3.3Å; H254-A257 WeakPolarHBondContact O-CB 3.47Å; H254-A257 PolarHBondContact O-N 3.12Å; H254-A257 VanDerWaalsContact O-N 3.14Å
255	P	68.9	Low	88.3	Confident	119 Å²	119	66 Å²	66	77%	0.773	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-28.4	-175	20.8	-31	0	0	0	114	P253 A257	P253-P255 WeakPolarHBondContact O-CD 3.44Å; P255-A257 VanDerWaalsContact C-N 3.33Å
256	D	75.9	Confident	88.3	Confident	132 Å²	132	68.4 Å²	68.4	71%	0.706	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	5.7	178.4	-49.1	-52.1	0	0	0	114.1	H254 T258	H254-D256 VanDerWaalsContact C-N 3.27Å; H254-D256 IonicContact CE1-OD2 2.89Å; H254-D256 PolarHBondContact CE1-OD2 3.28Å; H254-D256 PolarHBondContact ND1-N 3.44Å; H254-D256 IonicContact ND1-OD2 3.56Å; H254-D256 PolarHBondContact O-N 3.38Å; D256-T258 PolarHBondContact O-N 2.87Å
257	A	75.4	Confident	88.3	Confident	30 Å²	30	66.4 Å²	66.4	25%	0.248	37%	0.37	C	S	.	.			trans	-64.8	133.4	179.2	0	0	0	0	0	111.3	N252 H254 P255 N259	N252-A257 HydrophobicContact CB-CB 4.13Å; N252-A257 VanDerWaalsContact CG-CB 3.48Å; N252-A257 WeakPolarHBondContact ND2-CB 3.01Å; H254-A257 HydrophobicContact CB-CB 4.33Å; H254-A257 VanDerWaalsContact O-CB 3.3Å; H254-A257 WeakPolarHBondContact O-CB 3.47Å; H254-A257 PolarHBondContact O-N 3.12Å; H254-A257 VanDerWaalsContact O-N 3.14Å; P255-A257 VanDerWaalsContact C-N 3.33Å; A257-N259 PolarHBondContact O-N 2.92Å; A257-N259 VanDerWaalsContact O-N 3.16Å
258	T	75.9	Confident	88.3	Confident	150 Å²	150	65 Å²	65	92%	0.92	37%	0.366	S	S	*	.	S	Bend	trans	-57.6	-30.4	177.1	49.4	0	0	0	0	113	D256	D256-T258 PolarHBondContact O-N 2.87Å
259	N	80.6	Confident	88.2	Confident	35 Å²	35	66.2 Å²	66.2	19%	0.187	37%	0.37	C	S	.	.			trans	-112.8	116.2	169.9	-166	-16.2	0	0	0	110.3	N252 A257 W261	N252-N259 WeakPolarHBondContact CB-O 3.35Å; N252-N259 PolarHBondContact ND2-O 2.83Å; A257-N259 PolarHBondContact O-N 2.92Å; A257-N259 VanDerWaalsContact O-N 3.16Å; N259-W261 PolarHBondContact O-N 2.96Å; N259-W261 PolarHBondContact OD1-N 2.65Å; N259-W261 PolarHBondContact OD1-O 3.05Å
260	P	87.6	Confident	88.2	Confident	33 Å²	33	69.6 Å²	69.6	21%	0.214	39%	0.388	C	S	.	.	S	Bend	trans	-74.7	-5.3	179.8	33.1	-37.9	0	0	0	113	P236 R251 N252	P236-P260 HydrophobicContact CB-CG 4.41Å; R251-P260 WeakPolarHBondContact CA-O 3.32Å; N252-P260 PolarHBondContact N-O 2.75Å
261	W	92.4	Very high	88.3	Confident	34 Å²	34	69.6 Å²	69.6	13%	0.129	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.5	176.8	-67.3	98.6	0	0	0	111.4	L239 H240 A245 F249 N259	L239-W261 HydrophobicContact CB-CD2 4.03Å; L239-W261 HydrophobicContact CB-CG 3.91Å; L239-W261 HydrophobicContact CD1-CB 3.41Å; L239-W261 VanDerWaalsContact CD1-CB 3.41Å; L239-W261 HydrophobicContact CD1-CD2 4.23Å; L239-W261 HydrophobicContact CD1-CG 3.57Å; L239-W261 HydrophobicContact CG-CG 4.4Å; H240-W261 AromaticContact CD2-NE1 3.84Å; H240-W261 AromaticContact CE1-CD1 3.9Å; H240-W261 AromaticContact CE1-NE1 3.35Å; H240-W261 PolarHBondContact CE1-NE1 2.91Å; H240-W261 VanDerWaalsContact CE1-NE1 3.35Å; H240-W261 AromaticContact CG-NE1 3.88Å; H240-W261 AromaticContact ND1-NE1 3.58Å; H240-W261 AromaticContact NE2-NE1 3.48Å; H240-W261 PolarHBondContact NE2-NE1 3.49Å; A245-W261 HydrophobicContact CB-CH2 4.27Å; A245-W261 HydrophobicContact CB-CZ3 4.41Å; F249-W261 HydrophobicContact CB-CE3 3.69Å; F249-W261 HydrophobicContact CB-CZ3 4.19Å; N259-W261 PolarHBondContact O-N 2.96Å; N259-W261 PolarHBondContact OD1-N 2.65Å; N259-W261 PolarHBondContact OD1-O 3.05Å
262	Q	94.6	Very high	88.5	Confident	77 Å²	77	68.1 Å²	68.1	36%	0.36	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.3	172.8	-171.5	-172.2	4.2	0	0	108.6	F249 K250 K264	F249-Q262 CarbonylContact C-O 3.1Å; F249-Q262 VanDerWaalsContact CA-O 3.23Å; F249-Q262 WeakPolarHBondContact CA-O 3.31Å; F249-Q262 WeakPolarHBondContact CB-O 3.32Å; K250-Q262 VanDerWaalsContact CE-OE1 3.31Å; K250-Q262 HydrophobicContact CG-CB 4.32Å; K250-Q262 PolarHBondContact N-O 2.64Å; K250-Q262 PolarHBondContact O-N 2.94Å; Q262-K264 PolarHBondContact O-N 3.45Å
263	L	96.4	Very high	88.9	Confident	30 Å²	30	68.2 Å²	68.2	16%	0.157	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	133.9	168.6	-173.1	72.7	0	0	0	109.1	V224 R225 C228 L233 F248 F249 S265	V224-L263 HydrophobicContact CG1-CD1 4.27Å; R225-L263 HydrophobicContact CB-CD2 3.99Å; R225-L263 HydrophobicContact CG-CD2 3.83Å; C228-L263 HydrophobicContact CB-CD2 4.2Å; L233-L263 HydrophobicContact CD2-CB 4.01Å; F248-L263 HydrophobicContact CB-CD1 4.46Å; F248-L263 WeakPolarHBondContact O-CD1 3.39Å; F249-L263 HydrophobicContact CD1-CB 4.15Å; F249-L263 HydrophobicContact CD1-CD1 3.95Å; F249-L263 HydrophobicContact CE1-CB 4.2Å; F249-L263 HydrophobicContact CE1-CD1 3.58Å; F249-L263 HydrophobicContact CZ-CD1 4.04Å; L263-S265 PolarHBondContact O-N 3.42Å
264	K	96.7	Very high	89.6	Confident	11 Å²	11	71 Å²	71	5%	0.048	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-56.5	139.3	172.3	-70.4	178.7	-174.8	178.1	0	108.6	Y221 H246 H247 F248 F249 K250 Q262 D268 E272	Y221-K264 HydrophobicContact CE2-CB 4.13Å; Y221-K264 PolarHBondContact OH-O 3.03Å; H246-K264 WeakPolarHBondContact O-CE 3.47Å; H246-K264 PolarHBondContact O-NZ 3.13Å; H247-K264 PolarHBondContact O-NZ 3.28Å; F248-K264 WeakPolarHBondContact O-CB 3.34Å; F248-K264 WeakPolarHBondContact O-CG 3.43Å; F248-K264 PolarHBondContact O-N 3.23Å; F249-K264 WeakPolarHBondContact O-CE 3.46Å; K250-K264 HydrophobicContact CB-CG 4.25Å; K250-K264 HydrophobicContact CG-CG 4.44Å; Q262-K264 PolarHBondContact O-N 3.45Å; K264-D268 HydrophobicContact CB-CB 4.21Å; K264-E272 WeakPolarHBondContact CE-OE2 3.35Å; K264-E272 IonicContact NZ-OE1 3.96Å; K264-E272 PolarHBondContact NZ-OE1 3.4Å; K264-E272 IonicContact NZ-OE2 2.68Å; K264-E272 PolarHBondContact NZ-OE2 2.94Å
265	S	95.8	Very high	90.1	Very high	51 Å²	51	68.1 Å²	68.1	36%	0.357	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-73.3	161.6	172.1	70.1	0	0	0	0	110.1	Y221 L263 A267 D268 Y269	Y221-S265 VanDerWaalsContact OH-C 3.24Å; Y221-S265 PolarHBondContact OH-O 3.37Å; L263-S265 PolarHBondContact O-N 3.42Å; S265-A267 PolarHBondContact O-N 3.16Å; S265-A267 VanDerWaalsContact O-N 3.15Å; S265-D268 WeakPolarHBondContact CB-OD2 3.41Å; S265-D268 PolarHBondContact N-OD2 3.09Å; S265-D268 PolarHBondContact O-N 3.3Å; S265-D268 VanDerWaalsContact O-N 3.08Å; S265-D268 PolarHBondContact OG-N 3.34Å; S265-D268 VanDerWaalsContact OG-N 3.13Å; S265-D268 PolarHBondContact OG-OD2 3.32Å; S265-Y269 PolarHBondContact O-N 2.76Å
266	S	94.8	Very high	91.3	Very high	54 Å²	54	71.6 Å²	71.6	38%	0.378	39%	0.391	S	S	.	.	H	α-helix	trans	-57.7	-30.1	174.4	-59.6	0	0	0	0	112.8	Y221 L270	Y221-S266 PolarHBondContact OH-N 3.5Å; S266-L270 VanDerWaalsContact O-CB 3.26Å; S266-L270 WeakPolarHBondContact O-CB 3.34Å; S266-L270 PolarHBondContact O-N 2.7Å; S266-L270 VanDerWaalsContact O-N 3.11Å
267	A	95.8	Very high	92.1	Very high	67 Å²	67	66.2 Å²	66.2	55%	0.554	36%	0.363	S	S	*	.	H	α-helix	trans	-71.5	-44.4	175.2	0	0	0	0	0	112	S265 L270 A271	S265-A267 PolarHBondContact O-N 3.16Å; S265-A267 VanDerWaalsContact O-N 3.15Å; A267-L270 PolarHBondContact O-N 3.42Å; A267-A271 WeakPolarHBondContact O-CB 3.46Å; A267-A271 PolarHBondContact O-N 2.83Å
268	D	95.1	Very high	93	Very high	54 Å²	54	68 Å²	68	29%	0.289	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-48.4	176.8	-60.2	-49.1	0	0	0	110.8	K250 K264 S265 L270 A271 E272	K250-D268 VanDerWaalsContact NZ-CG 3.35Å; K250-D268 IonicContact NZ-OD1 3.44Å; K250-D268 PolarHBondContact NZ-OD1 3.12Å; K250-D268 IonicContact NZ-OD2 2.71Å; K250-D268 PolarHBondContact NZ-OD2 3.09Å; K264-D268 HydrophobicContact CB-CB 4.21Å; S265-D268 WeakPolarHBondContact CB-OD2 3.41Å; S265-D268 PolarHBondContact N-OD2 3.09Å; S265-D268 PolarHBondContact O-N 3.3Å; S265-D268 VanDerWaalsContact O-N 3.08Å; S265-D268 PolarHBondContact OG-N 3.34Å; S265-D268 VanDerWaalsContact OG-N 3.13Å; S265-D268 PolarHBondContact OG-OD2 3.32Å; D268-L270 VanDerWaalsContact C-N 3.35Å; D268-L270 PolarHBondContact O-N 3.08Å; D268-A271 PolarHBondContact O-N 2.93Å; D268-E272 WeakPolarHBondContact O-CB 3.46Å; D268-E272 PolarHBondContact O-N 3.45Å
269	Y	95.5	Very high	94	Very high	29 Å²	29	64.8 Å²	64.8	11%	0.114	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-42.4	-179.8	-177.5	-95.6	0	0	0	111.9	Y221 S265 E272 T273 V275 P277	Y221-Y269 AromaticContact CD1-CD1 3.78Å; Y221-Y269 HydrophobicContact CD1-CD1 3.78Å; Y221-Y269 HydrophobicContact CD1-CD2 4.03Å; Y221-Y269 AromaticContact CD1-CE1 3.99Å; Y221-Y269 HydrophobicContact CD1-CE1 3.99Å; Y221-Y269 HydrophobicContact CD1-CE2 4.26Å; Y221-Y269 AromaticContact CD1-CG 3.77Å; Y221-Y269 HydrophobicContact CD1-CG 3.77Å; Y221-Y269 AromaticContact CD2-CD2 3.54Å; Y221-Y269 HydrophobicContact CD2-CD2 3.54Å; Y221-Y269 AromaticContact CD2-CE2 3.99Å; Y221-Y269 HydrophobicContact CD2-CE2 3.99Å; Y221-Y269 AromaticContact CD2-CG 3.95Å; Y221-Y269 HydrophobicContact CD2-CG 3.95Å; Y221-Y269 HydrophobicContact CE1-CD1 4.11Å; Y221-Y269 AromaticContact CE1-CG 3.96Å; Y221-Y269 HydrophobicContact CE1-CG 3.96Å; Y221-Y269 HydrophobicContact CE2-CD2 4.08Å; Y221-Y269 HydrophobicContact CE2-CG 4.12Å; Y221-Y269 HydrophobicContact CG-CD1 4.1Å; Y221-Y269 AromaticContact CG-CD2 3.51Å; Y221-Y269 HydrophobicContact CG-CD2 3.51Å; Y221-Y269 HydrophobicContact CG-CE1 4.16Å; Y221-Y269 AromaticContact CG-CE2 3.61Å; Y221-Y269 HydrophobicContact CG-CE2 3.61Å; Y221-Y269 AromaticContact CG-CG 3.76Å; Y221-Y269 HydrophobicContact CG-CG 3.76Å; Y221-Y269 AromaticContact CG-CZ 3.93Å; S265-Y269 PolarHBondContact O-N 2.76Å; Y269-E272 PolarHBondContact O-N 2.91Å; Y269-T273 HydrophobicContact CD2-CG2 3.98Å; Y269-T273 HydrophobicContact CE1-CG2 4.38Å; Y269-T273 WeakPolarHBondContact CE1-OG1 3.38Å; Y269-T273 HydrophobicContact CE2-CG2 3.62Å; Y269-T273 HydrophobicContact CG-CG2 4.49Å; Y269-T273 WeakPolarHBondContact O-CB 3.19Å; Y269-T273 PolarHBondContact O-N 2.92Å; Y269-T273 PolarHBondContact O-OG1 3.45Å; Y269-V275 HydrophobicContact CE1-CB 3.98Å; Y269-V275 HydrophobicContact CE1-CG1 4.23Å; Y269-P277 HydrophobicContact CD1-CG 3.76Å; Y269-P277 HydrophobicContact CE1-CG 4.49Å
270	L	95.8	Very high	94.7	Very high	74 Å²	74	64.5 Å²	64.5	39%	0.387	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-41.8	175.4	175.3	62.3	0	0	0	111.7	S266 A267 D268 E272 K274 R276	S266-L270 VanDerWaalsContact O-CB 3.26Å; S266-L270 WeakPolarHBondContact O-CB 3.34Å; S266-L270 PolarHBondContact O-N 2.7Å; S266-L270 VanDerWaalsContact O-N 3.11Å; A267-L270 PolarHBondContact O-N 3.42Å; D268-L270 VanDerWaalsContact C-N 3.35Å; D268-L270 PolarHBondContact O-N 3.08Å; L270-E272 VanDerWaalsContact C-N 3.31Å; L270-E272 PolarHBondContact O-N 3.21Å; L270-K274 WeakPolarHBondContact O-CA 3.28Å; L270-K274 PolarHBondContact O-N 3.16Å; L270-R276 HydrophobicContact CD1-CB 4.36Å
271	A	96.4	Very high	95.1	Very high	65 Å²	65	63.8 Å²	63.8	54%	0.537	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-41.2	179.2	0	0	0	0	0	111.7	A267 D268 K274	A267-A271 WeakPolarHBondContact O-CB 3.46Å; A267-A271 PolarHBondContact O-N 2.83Å; D268-A271 PolarHBondContact O-N 2.93Å; A271-K274 PolarHBondContact O-NZ 3.21Å
272	E	95.4	Very high	95.2	Very high	114 Å²	114	68.3 Å²	68.3	53%	0.533	35%	0.352	S	S	.	.	H	α-helix	trans	-76.7	-51.2	-178.1	-174.6	-179.7	154.8	0	0	112.8	K264 D268 Y269 L270	K264-E272 WeakPolarHBondContact CE-OE2 3.35Å; K264-E272 IonicContact NZ-OE1 3.96Å; K264-E272 PolarHBondContact NZ-OE1 3.4Å; K264-E272 IonicContact NZ-OE2 2.68Å; K264-E272 PolarHBondContact NZ-OE2 2.94Å; D268-E272 WeakPolarHBondContact O-CB 3.46Å; D268-E272 PolarHBondContact O-N 3.45Å; Y269-E272 PolarHBondContact O-N 2.91Å; L270-E272 VanDerWaalsContact C-N 3.31Å; L270-E272 PolarHBondContact O-N 3.21Å
273	T	94.8	Very high	95.2	Very high	51 Å²	51	67 Å²	67	31%	0.313	35%	0.345	S	S	.	.	H	α-helix	trans	-97.8	-13	-169.5	67.1	0	0	0	0	114	Y269 V275	Y269-T273 HydrophobicContact CD2-CG2 3.98Å; Y269-T273 HydrophobicContact CE1-CG2 4.38Å; Y269-T273 WeakPolarHBondContact CE1-OG1 3.38Å; Y269-T273 HydrophobicContact CE2-CG2 3.62Å; Y269-T273 HydrophobicContact CG-CG2 4.49Å; Y269-T273 WeakPolarHBondContact O-CB 3.19Å; Y269-T273 PolarHBondContact O-N 2.92Å; Y269-T273 PolarHBondContact O-OG1 3.45Å; T273-V275 PolarHBondContact O-N 3.48Å; T273-V275 VanDerWaalsContact O-N 3.12Å; T273-V275 PolarHBondContact OG1-N 2.82Å
274	K	95.9	Very high	95.1	Very high	167 Å²	167	70.7 Å²	70.7	73%	0.726	36%	0.362	S	S	*	.			trans	58.7	13.9	-168.9	-46.6	-53.7	-176.8	-163.5	0	114	L270 A271	L270-K274 WeakPolarHBondContact O-CA 3.28Å; L270-K274 PolarHBondContact O-N 3.16Å; A271-K274 PolarHBondContact O-NZ 3.21Å
275	V	93.3	Very high	95.1	Very high	54 Å²	54	70.6 Å²	70.6	33%	0.327	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-100.1	129.3	175.5	178.9	0	0	0	0	109.2	Y269 T273 P277	Y269-V275 HydrophobicContact CE1-CB 3.98Å; Y269-V275 HydrophobicContact CE1-CG1 4.23Å; T273-V275 PolarHBondContact O-N 3.48Å; T273-V275 VanDerWaalsContact O-N 3.12Å; T273-V275 PolarHBondContact OG1-N 2.82Å; V275-P277 WeakPolarHBondContact O-CD 3.33Å
276	R	94	Very high	95.1	Very high	192 Å²	192	74.9 Å²	74.9	73%	0.725	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-81.6	120.5	177.9	-174.4	176.3	179.2	178.1	0.5	110.6	L270	L270-R276 HydrophobicContact CD1-CB 4.36Å
277	P	92.9	Very high	95.2	Very high	18 Å²	18	74.1 Å²	74.1	12%	0.117	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-60.2	143	169	-26.9	39.1	0	0	0	111.7	Y221 D222 Y269 V275	Y221-P277 HydrophobicContact CD1-CB 4.32Å; Y221-P277 HydrophobicContact CD1-CG 4.06Å; Y221-P277 HydrophobicContact CE1-CB 3.89Å; Y221-P277 HydrophobicContact CE1-CG 3.58Å; D222-P277 WeakPolarHBondContact OD1-CB 3.42Å; Y269-P277 HydrophobicContact CD1-CG 3.76Å; Y269-P277 HydrophobicContact CE1-CG 4.49Å; V275-P277 WeakPolarHBondContact O-CD 3.33Å
278	L	94.6	Very high	95.3	Very high	67 Å²	67	71.2 Å²	71.2	35%	0.351	34%	0.344	S	S	.	.			trans	-114.8	157.9	178.8	-62.5	-177.1	0	0	0	111.7	N218 D222 R225 Y226 R280	N218-L278 HydrophobicContact CB-CB 4.23Å; N218-L278 HydrophobicContact CB-CD1 4.17Å; N218-L278 HydrophobicContact CB-CG 4.49Å; D222-L278 PolarHBondContact OD2-N 3.4Å; R225-L278 PolarHBondContact NH2-O 3.28Å; Y226-L278 PolarHBondContact OH-O 3.32Å; L278-R280 HydrophobicContact CB-CG 4.48Å
279	E	95.8	Very high	95.4	Very high	84 Å²	84	71.8 Å²	71.8	39%	0.393	35%	0.347	S	S	.	.			trans	-110.1	111.9	168.4	-172.5	54.4	-105.5	0	0	109.1	R225 Y226 R281	R225-E279 IonicContact NH1-OE2 2.75Å; Y226-E279 WeakPolarHBondContact OH-CA 3.21Å; E279-R281 VanDerWaalsContact OE1-CB 3.27Å; E279-R281 WeakPolarHBondContact OE1-CB 3.5Å; E279-R281 IonicContact OE1-CZ 3.77Å; E279-R281 PolarHBondContact OE1-N 3.19Å; E279-R281 IonicContact OE1-NE 3.34Å; E279-R281 PolarHBondContact OE1-NE 2.9Å; E279-R281 IonicContact OE1-NH2 2.87Å; E279-R281 PolarHBondContact OE1-NH2 3.19Å; E279-R281 IonicContact OE2-CZ 2.95Å; E279-R281 IonicContact OE2-NE 3.91Å; E279-R281 IonicContact OE2-NH2 3.6Å; E279-R281 PolarHBondContact OE2-NH2 3.07Å
280	R	95.6	Very high	95.4	Very high	28 Å²	28	74.1 Å²	74.1	11%	0.106	36%	0.359	C	S	.	.			trans	-118.7	-1.7	-179.3	-64.2	-170.3	70.7	172.7	1.3	112.8	W212 P216 Y226 L278 A426	W212-R280 PolarHBondContact NE1-O 3.27Å; P216-R280 HydrophobicContact CB-CB 4.16Å; P216-R280 HydrophobicContact CG-CB 3.98Å; P216-R280 WeakPolarHBondContact CG-O 3.48Å; P216-R280 WeakPolarHBondContact O-CB 3.37Å; Y226-R280 PolarHBondContact OH-N 2.8Å; L278-R280 HydrophobicContact CB-CG 4.48Å; R280-A426 PolarHBondContact NH2-O 3.49Å
281	R	96.2	Very high	95.3	Very high	18 Å²	18	70.6 Å²	70.6	7%	0.068	34%	0.341	C	S	.	.			trans	-73.5	130.8	176.3	-69.6	169.9	-66.6	-179.6	0.2	109.6	P216 Y226 E229 E279 Y283 M284	P216-R281 HydrophobicContact CG-CB 4.5Å; P216-R281 HydrophobicContact CG-CG 3.88Å; Y226-R281 VanDerWaalsContact CD1-NE 3.26Å; Y226-R281 HydrophobicContact CD2-CG 3.97Å; Y226-R281 HydrophobicContact CE2-CG 3.98Å; Y226-R281 HydrophobicContact CG-CG 4.3Å; E229-R281 IonicContact OE1-NH2 2.76Å; E229-R281 IonicContact OE2-CZ 3.23Å; E229-R281 IonicContact OE2-NH1 3.95Å; E229-R281 PolarHBondContact OE2-NH1 2.97Å; E229-R281 IonicContact OE2-NH2 2.91Å; E229-R281 PolarHBondContact OE2-NH2 3.07Å; E279-R281 VanDerWaalsContact OE1-CB 3.27Å; E279-R281 WeakPolarHBondContact OE1-CB 3.5Å; E279-R281 IonicContact OE1-CZ 3.77Å; E279-R281 PolarHBondContact OE1-N 3.19Å; E279-R281 IonicContact OE1-NE 3.34Å; E279-R281 PolarHBondContact OE1-NE 2.9Å; E279-R281 IonicContact OE1-NH2 2.87Å; E279-R281 PolarHBondContact OE1-NH2 3.19Å; E279-R281 IonicContact OE2-CZ 2.95Å; E279-R281 IonicContact OE2-NE 3.91Å; E279-R281 IonicContact OE2-NH2 3.6Å; E279-R281 PolarHBondContact OE2-NH2 3.07Å; R281-Y283 VanDerWaalsContact C-N 3.34Å; R281-M284 HydrophobicContact CB-CG 4.46Å
282	K	94.3	Very high	95.1	Very high	129 Å²	129	69.3 Å²	69.3	56%	0.561	32%	0.324	S	S	*	.	S	Bend	trans	-70.1	-36.2	163.2	-173.7	178.2	177.6	-170.1	0	111.1	W212	W212-K282 HydrophobicContact CB-CB 4.22Å; W212-K282 HydrophobicContact CB-CD 4.29Å; W212-K282 HydrophobicContact CD2-CB 3.96Å; W212-K282 HydrophobicContact CD2-CD 4.41Å; W212-K282 HydrophobicContact CG-CB 3.67Å; W212-K282 HydrophobicContact CG-CD 4.33Å
283	Y	93.9	Very high	94.5	Very high	51 Å²	51	68.1 Å²	68.1	20%	0.2	32%	0.324	C	S	.	.	S	Bend	trans	-120.7	115.7	-178.6	-47.4	-71.5	0	0	0	110.8	L210 W212 R281 L285 V294	L210-Y283 HydrophobicContact CB-CD2 4.14Å; L210-Y283 HydrophobicContact CB-CE2 3.89Å; L210-Y283 HydrophobicContact CD1-CD2 4.41Å; L210-Y283 HydrophobicContact CD2-CD2 4.02Å; L210-Y283 HydrophobicContact CD2-CE2 4.18Å; L210-Y283 HydrophobicContact CG-CD2 4.42Å; L210-Y283 WeakPolarHBondContact O-CE2 3.42Å; L210-Y283 PolarHBondContact O-OH 3.07Å; W212-Y283 HydrophobicContact CB-CD2 4.46Å; W212-Y283 HydrophobicContact CB-CE2 4.1Å; R281-Y283 VanDerWaalsContact C-N 3.34Å; Y283-L285 PolarHBondContact O-N 3.1Å; Y283-V294 HydrophobicContact CD1-CG1 3.23Å; Y283-V294 HydrophobicContact CD2-CG1 4.08Å; Y283-V294 HydrophobicContact CE1-CG1 3.34Å; Y283-V294 HydrophobicContact CE2-CG1 4.16Å; Y283-V294 HydrophobicContact CG-CG1 3.62Å
284	M	95.4	Very high	93.7	Very high	106 Å²	106	67.5 Å²	67.5	52%	0.522	32%	0.32	S	S	.	.			trans	-93.4	72.7	180	-63.3	174.7	77.5	0	0	110.7	R281	R281-M284 HydrophobicContact CB-CG 4.46Å
285	L	95.6	Very high	92.4	Very high	9 Å²	9	62 Å²	62	5%	0.047	30%	0.299	C	S	.	.			trans	-68.8	135.5	-177	-49.4	-174.2	0	0	0	111.4	L214 T230 Y283 Q290 I291 V294	L214-L285 HydrophobicContact CD1-CD1 3.91Å; T230-L285 VanDerWaalsContact CA-O 3.32Å; T230-L285 WeakPolarHBondContact CA-O 3.31Å; T230-L285 WeakPolarHBondContact CB-O 3.42Å; T230-L285 HydrophobicContact CG2-CB 3.93Å; T230-L285 PolarHBondContact OG1-O 3.28Å; Y283-L285 PolarHBondContact O-N 3.1Å; L285-Q290 HydrophobicContact CD2-CB 4.07Å; L285-I291 HydrophobicContact CD1-CD1 4.45Å; L285-I291 HydrophobicContact CD1-CG1 3.62Å; L285-V294 HydrophobicContact CD2-CG2 3.43Å; L285-V294 VanDerWaalsContact CD2-CG2 3.43Å
286	K	96.2	Very high	90.5	Very high	141 Å²	141	60 Å²	60	61%	0.613	29%	0.289	S	S	*	.	S	Bend	trans	-92.9	-17.6	172.6	-59.6	-57.6	-177.3	-173.6	0	113.3	T230	T230-K286 CarbonylContact O-C 3.52Å; T230-K286 VanDerWaalsContact O-O 3.14Å
287	S	97.3	Very high	88.2	Confident	38 Å²	38	54.6 Å²	54.6	27%	0.266	29%	0.293	S	S	.	.	S	Bend	trans	-148.3	152.2	169.8	178.9	0	0	0	0	108.8	T230 D289 Q290	T230-S287 VanDerWaalsContact O-CA 3.29Å; T230-S287 WeakPolarHBondContact O-CA 3.26Å; S287-D289 PolarHBondContact O-N 3.19Å; S287-D289 PolarHBondContact OG-N 2.89Å; S287-D289 PolarHBondContact OG-OD2 3.31Å; S287-Q290 WeakPolarHBondContact O-CB 3.31Å; S287-Q290 PolarHBondContact O-N 2.99Å
288	L	97.8	Very high	86.1	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.031	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-61.1	-25.2	168.8	-69.9	-177.5	0	0	0	112.8	L214 T230 Q231 Q290 I291 V321 K325 L328	L214-L288 HydrophobicContact CD2-CD2 4.01Å; T230-L288 HydrophobicContact CG2-CD2 3.86Å; T230-L288 HydrophobicContact CG2-CG 4.26Å; Q231-L288 HydrophobicContact CG-CD1 4.4Å; Q231-L288 HydrophobicContact CG-CG 4.25Å; L288-Q290 PolarHBondContact O-N 3.39Å; L288-Q290 VanDerWaalsContact O-N 3.12Å; L288-I291 HydrophobicContact CB-CD1 4.46Å; L288-I291 HydrophobicContact CD2-CD1 3.95Å; L288-I291 VanDerWaalsContact O-CB 3.29Å; L288-I291 WeakPolarHBondContact O-CB 3.34Å; L288-I291 VanDerWaalsContact O-CG1 3.22Å; L288-I291 WeakPolarHBondContact O-CG1 3.33Å; L288-I291 PolarHBondContact O-N 3.36Å; L288-V321 WeakPolarHBondContact O-CG1 3.46Å; L288-K325 HydrophobicContact CB-CD 4.37Å; L288-K325 HydrophobicContact CB-CG 3.76Å; L288-K325 HydrophobicContact CD1-CB 4.34Å; L288-K325 HydrophobicContact CD1-CG 3.71Å; L288-K325 HydrophobicContact CG-CG 4.41Å; L288-L328 HydrophobicContact CD1-CB 4.07Å; L288-L328 HydrophobicContact CD1-CD1 4.02Å; L288-L328 HydrophobicContact CD2-CD1 4.09Å
289	D	96.2	Very high	84	Confident	67 Å²	67	54.2 Å²	54.2	36%	0.358	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-58.5	-26.9	175.8	-54.5	-54.5	0	0	0	111.9	S287 I291 E292 K325	S287-D289 PolarHBondContact O-N 3.19Å; S287-D289 PolarHBondContact OG-N 2.89Å; S287-D289 PolarHBondContact OG-OD2 3.31Å; D289-I291 PolarHBondContact O-N 3.02Å; D289-E292 WeakPolarHBondContact O-CB 3.47Å; D289-E292 WeakPolarHBondContact O-CG 3.49Å; D289-E292 PolarHBondContact O-N 3.34Å; D289-K325 WeakPolarHBondContact OD1-CE 3.48Å; D289-K325 IonicContact OD1-NZ 2.76Å; D289-K325 PolarHBondContact OD1-NZ 2.95Å
290	Q	95.5	Very high	81.9	Confident	77 Å²	77	54.6 Å²	54.6	36%	0.36	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-67.7	-17.6	179.7	-65.2	-174.1	-51.4	0	0	112.9	L285 S287 L288 E292 T293 V294	L285-Q290 HydrophobicContact CD2-CB 4.07Å; S287-Q290 WeakPolarHBondContact O-CB 3.31Å; S287-Q290 PolarHBondContact O-N 2.99Å; L288-Q290 PolarHBondContact O-N 3.39Å; L288-Q290 VanDerWaalsContact O-N 3.12Å; Q290-E292 PolarHBondContact O-N 3.19Å; Q290-E292 VanDerWaalsContact O-N 3.11Å; Q290-T293 PolarHBondContact O-N 3.14Å; Q290-T293 PolarHBondContact O-OG1 3.05Å; Q290-V294 WeakPolarHBondContact O-CG2 3.48Å; Q290-V294 PolarHBondContact O-N 3.13Å
291	I	95.1	Very high	79.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-52.7	-33.8	173.5	-65.7	173.3	0	0	0	110.8	A206 L285 L288 D289 T293 V321 I324	A206-I291 HydrophobicContact CB-CD1 4.26Å; L285-I291 HydrophobicContact CD1-CD1 4.45Å; L285-I291 HydrophobicContact CD1-CG1 3.62Å; L288-I291 HydrophobicContact CB-CD1 4.46Å; L288-I291 HydrophobicContact CD2-CD1 3.95Å; L288-I291 VanDerWaalsContact O-CB 3.29Å; L288-I291 WeakPolarHBondContact O-CB 3.34Å; L288-I291 VanDerWaalsContact O-CG1 3.22Å; L288-I291 WeakPolarHBondContact O-CG1 3.33Å; L288-I291 PolarHBondContact O-N 3.36Å; D289-I291 PolarHBondContact O-N 3.02Å; I291-T293 PolarHBondContact O-N 2.87Å; I291-T293 VanDerWaalsContact O-N 3.14Å; I291-V321 HydrophobicContact CB-CG2 3.9Å; I291-V321 HydrophobicContact CG2-CG2 3.75Å; I291-I324 HydrophobicContact CD1-CG2 4.33Å
292	E	91.1	Very high	78	Confident	39 Å²	39	63.7 Å²	63.7	18%	0.182	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-62.3	-20.6	178.5	-59.3	179.7	-167.5	0	0	113.9	D289 Q290 V321	D289-E292 WeakPolarHBondContact O-CB 3.47Å; D289-E292 WeakPolarHBondContact O-CG 3.49Å; D289-E292 PolarHBondContact O-N 3.34Å; Q290-E292 PolarHBondContact O-N 3.19Å; Q290-E292 VanDerWaalsContact O-N 3.11Å; E292-V321 HydrophobicContact CG-CB 4.02Å; E292-V321 HydrophobicContact CG-CG1 4.19Å; E292-V321 HydrophobicContact CG-CG2 3.68Å
293	T	83.9	Confident	76.6	Confident	88 Å²	88	60.7 Å²	60.7	54%	0.54	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-12.1	-167.2	62.4	0	0	0	0	114.4	Q290 I291 N295 G296	Q290-T293 PolarHBondContact O-N 3.14Å; Q290-T293 PolarHBondContact O-OG1 3.05Å; I291-T293 PolarHBondContact O-N 2.87Å; I291-T293 VanDerWaalsContact O-N 3.14Å; T293-N295 VanDerWaalsContact C-N 3.32Å; T293-N295 PolarHBondContact O-N 2.85Å; T293-G296 WeakPolarHBondContact O-CA 3.48Å; T293-G296 PolarHBondContact O-N 2.68Å
294	V	77.6	Confident	75.1	Confident	38 Å²	38	61.8 Å²	61.8	23%	0.23	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.1	-168.4	168	0	0	0	0	113.6	L210 Y283 L285 Q290 G296	L210-V294 HydrophobicContact CD2-CB 4.01Å; L210-V294 HydrophobicContact CD2-CG1 3.72Å; L210-V294 HydrophobicContact CD2-CG2 4.41Å; Y283-V294 HydrophobicContact CD1-CG1 3.23Å; Y283-V294 HydrophobicContact CD2-CG1 4.08Å; Y283-V294 HydrophobicContact CE1-CG1 3.34Å; Y283-V294 HydrophobicContact CE2-CG1 4.16Å; Y283-V294 HydrophobicContact CG-CG1 3.62Å; L285-V294 HydrophobicContact CD2-CG2 3.43Å; L285-V294 VanDerWaalsContact CD2-CG2 3.43Å; Q290-V294 WeakPolarHBondContact O-CG2 3.48Å; Q290-V294 PolarHBondContact O-N 3.13Å; V294-G296 PolarHBondContact O-N 2.75Å
295	N	68.1	Low	73.5	Confident	53 Å²	53	66 Å²	66	28%	0.283	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	18.5	176.9	-63.5	-39.6	0	0	0	112.5	P107 H209 T293 G297	P107-N295 HydrophobicContact CG-CB 4.48Å; P107-N295 WeakPolarHBondContact CG-ND2 3.22Å; P107-N295 WeakPolarHBondContact CG-OD1 3.49Å; H209-N295 PolarHBondContact NE2-ND2 2.85Å; H209-N295 PolarHBondContact O-ND2 3.11Å; T293-N295 VanDerWaalsContact C-N 3.32Å; T293-N295 PolarHBondContact O-N 2.85Å; N295-G297 PolarHBondContact O-N 3.49Å; N295-G297 VanDerWaalsContact O-N 3.16Å
296	G	52.6	Low	72.7	Confident	11 Å²	11	67.9 Å²	67.9	11%	0.113	39%	0.394	C	S	.	.	H	α-helix	trans	-73	-1.3	-160.1	0	0	0	0	0	118.4	T293 V294 G298 A299 V300	T293-G296 WeakPolarHBondContact O-CA 3.48Å; T293-G296 PolarHBondContact O-N 2.68Å; V294-G296 PolarHBondContact O-N 2.75Å; G296-G298 VanDerWaalsContact C-N 3.26Å; G296-G298 PolarHBondContact O-N 2.77Å; G296-A299 PolarHBondContact O-N 3.16Å; G296-V300 WeakPolarHBondContact O-CB 3.46Å; G296-V300 WeakPolarHBondContact O-CG2 3.49Å; G296-V300 PolarHBondContact O-N 2.89Å
297	G	45.9	Very low	72.3	Confident	78 Å²	78	65.9 Å²	65.9	80%	0.804	39%	0.39	S	S	*	.	H	α-helix	trans	-56.3	-40.4	178.5	0	0	0	0	0	113	N295	N295-G297 PolarHBondContact O-N 3.49Å; N295-G297 VanDerWaalsContact O-N 3.16Å
298	G	49.7	Very low	72	Confident	40 Å²	40	73.6 Å²	73.6	41%	0.412	41%	0.413	S	S	.	.	H	α-helix	trans	-95.9	-26	174.8	0	0	0	0	0	114.8	G296 R302	G296-G298 VanDerWaalsContact C-N 3.26Å; G296-G298 PolarHBondContact O-N 2.77Å; G298-R302 PolarHBondContact O-N 3.05Å
299	A	51.1	Low	71.7	Confident	37 Å²	37	76.3 Å²	76.3	31%	0.306	43%	0.426	S	S	.	.	H	α-helix	trans	-79.5	-35.5	-178.8	0	0	0	0	0	112.7	G296 S301 R302 L303	G296-A299 PolarHBondContact O-N 3.16Å; A299-S301 VanDerWaalsContact C-N 3.3Å; A299-S301 PolarHBondContact O-N 3.46Å; A299-R302 PolarHBondContact O-N 3.38Å; A299-L303 VanDerWaalsContact O-CB 3.31Å; A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 WeakPolarHBondContact O-CG 3.41Å; A299-L303 PolarHBondContact O-N 3.05Å
300	V	51.2	Low	71.4	Confident	92 Å²	92	73.8 Å²	73.8	56%	0.558	41%	0.414	S	S	*	.	H	α-helix	trans	-66.6	-34.2	176.2	175.8	0	0	0	0	111.1	G296 S304	G296-V300 WeakPolarHBondContact O-CB 3.46Å; G296-V300 WeakPolarHBondContact O-CG2 3.49Å; G296-V300 PolarHBondContact O-N 2.89Å; V300-S304 PolarHBondContact O-N 3.2Å; V300-S304 PolarHBondContact O-OG 2.86Å
301	S	53.6	Low	71.3	Confident	90 Å²	90	73.8 Å²	73.8	63%	0.629	42%	0.416	S	S	*	.	H	α-helix	trans	-66.4	-45.3	171.5	-173.2	0	0	0	0	111.8	A299 L303 S304	A299-S301 VanDerWaalsContact C-N 3.3Å; A299-S301 PolarHBondContact O-N 3.46Å; S301-L303 VanDerWaalsContact C-N 3.35Å; S301-L303 PolarHBondContact O-N 2.7Å; S301-S304 WeakPolarHBondContact O-CB 3.5Å; S301-S304 PolarHBondContact O-N 3.32Å
302	R	56.8	Low	71.2	Confident	147 Å²	147	73.8 Å²	73.8	56%	0.555	42%	0.416	S	S	*	.	H	α-helix	trans	-67.1	-29	175.6	-77.4	-171	-87.3	158.5	-8.8	114.2	G298 A299 S304 F305 P306 E313	G298-R302 PolarHBondContact O-N 3.05Å; A299-R302 PolarHBondContact O-N 3.38Å; R302-S304 VanDerWaalsContact C-N 3.34Å; R302-F305 CarbonylContact O-C 3.5Å; R302-P306 VanDerWaalsContact O-CA 3.24Å; R302-P306 WeakPolarHBondContact O-CA 3.22Å; R302-E313 IonicContact NH1-OE2 2.76Å; R302-E313 PolarHBondContact NH1-OE2 3.49Å
303	L	63.8	Low	71.3	Confident	66 Å²	66	75 Å²	75	35%	0.346	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-5.2	177.7	-69.5	171.3	0	0	0	113.8	A299 S301 F305 P306 H314	A299-L303 VanDerWaalsContact O-CB 3.31Å; A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 WeakPolarHBondContact O-CG 3.41Å; A299-L303 PolarHBondContact O-N 3.05Å; S301-L303 VanDerWaalsContact C-N 3.35Å; S301-L303 PolarHBondContact O-N 2.7Å; L303-F305 VanDerWaalsContact C-N 3.32Å; L303-P306 HydrophobicContact CD2-CB 4.14Å; L303-P306 WeakPolarHBondContact O-CD 3.29Å; L303-H314 HydrophobicContact CD2-CB 4.11Å
304	S	62	Low	71.7	Confident	74 Å²	74	73.8 Å²	73.8	52%	0.517	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-33.7	173.1	-63	0	0	0	0	111.3	V300 S301 R302	V300-S304 PolarHBondContact O-N 3.2Å; V300-S304 PolarHBondContact O-OG 2.86Å; S301-S304 WeakPolarHBondContact O-CB 3.5Å; S301-S304 PolarHBondContact O-N 3.32Å; R302-S304 VanDerWaalsContact C-N 3.34Å
305	F	63.1	Low	72.5	Confident	196 Å²	196	73.8 Å²	73.8	86%	0.86	41%	0.414	S	S	*	.	S	Bend	trans	-141.8	73.1	170.6	-62	-79.1	0	0	0	109.9	R302 L303 D307	R302-F305 CarbonylContact O-C 3.5Å; L303-F305 VanDerWaalsContact C-N 3.32Å; F305-D307 PolarHBondContact O-N 2.88Å
306	P	77.6	Confident	73.8	Confident	48 Å²	48	71.4 Å²	71.4	31%	0.312	40%	0.401	S	S	.	.			trans	-75.7	130.6	-170.6	29.4	-30.2	0	0	0	111	R302 L303 A310 L311	R302-P306 VanDerWaalsContact O-CA 3.24Å; R302-P306 WeakPolarHBondContact O-CA 3.22Å; L303-P306 HydrophobicContact CD2-CB 4.14Å; L303-P306 WeakPolarHBondContact O-CD 3.29Å; P306-A310 HydrophobicContact CB-CB 3.98Å; P306-L311 HydrophobicContact CB-CD2 3.98Å; P306-L311 HydrophobicContact CB-CG 4.02Å; P306-L311 HydrophobicContact CG-CD2 3.73Å; P306-L311 HydrophobicContact CG-CG 4.14Å
307	D	87.5	Confident	75.9	Confident	99 Å²	99	71.9 Å²	71.9	53%	0.529	40%	0.401	S	S	.	.			trans	-72.4	176	163.9	68.1	20.2	0	0	0	110.8	F305 E309 A310 L311	F305-D307 PolarHBondContact O-N 2.88Å; D307-E309 PolarHBondContact O-N 3.29Å; D307-E309 WeakPolarHBondContact OD1-CA 3.17Å; D307-E309 WeakPolarHBondContact OD1-CB 3.29Å; D307-E309 PolarHBondContact OD1-N 3.15Å; D307-A310 PolarHBondContact O-N 2.8Å; D307-A310 WeakPolarHBondContact OD1-CB 3.47Å; D307-A310 PolarHBondContact OD1-N 3.29Å; D307-L311 WeakPolarHBondContact O-CG 3.43Å; D307-L311 PolarHBondContact O-N 3.37Å; D307-L311 VanDerWaalsContact O-N 3.08Å
308	R	91.2	Very high	78.3	Confident	200 Å²	200	73.4 Å²	73.4	76%	0.755	39%	0.386	S	S	*	.	H	α-helix	trans	-63.1	-27	-179.1	-69	-176.3	173.6	-170.3	-1.9	113.1	A312 T359	R308-A312 PolarHBondContact O-N 3.31Å; R308-A312 VanDerWaalsContact O-N 3.14Å; R308-T359 HydrophobicContact CB-CG2 4.34Å
309	E	92.4	Very high	80.5	Confident	63 Å²	63	72 Å²	72	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-74.7	-45.4	179.6	-60.9	-63.7	146.9	0	0	110.5	D307 L311 A312 E313 T359 R360 Y361	D307-E309 PolarHBondContact O-N 3.29Å; D307-E309 WeakPolarHBondContact OD1-CA 3.17Å; D307-E309 WeakPolarHBondContact OD1-CB 3.29Å; D307-E309 PolarHBondContact OD1-N 3.15Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 2.98Å; E309-A312 WeakPolarHBondContact O-CB 3.5Å; E309-A312 PolarHBondContact O-N 3.39Å; E309-A312 VanDerWaalsContact O-N 3.17Å; E309-E313 PolarHBondContact O-N 3.14Å; E309-T359 VanDerWaalsContact OE1-CA 3.26Å; E309-T359 WeakPolarHBondContact OE1-CA 3.5Å; E309-T359 WeakPolarHBondContact OE1-CB 3.46Å; E309-R360 PolarHBondContact OE1-N 3.17Å; E309-R360 PolarHBondContact OE2-N 3.2Å; E309-R360 VanDerWaalsContact OE2-N 3.15Å; E309-Y361 WeakPolarHBondContact OE2-CB 3.29Å; E309-Y361 PolarHBondContact OE2-N 2.77Å
310	A	90.3	Very high	82.8	Confident	13 Å²	13	70.3 Å²	70.3	11%	0.107	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-38.7	175	0	0	0	0	0	111.9	P306 D307 E313 H314	P306-A310 HydrophobicContact CB-CB 3.98Å; D307-A310 PolarHBondContact O-N 2.8Å; D307-A310 WeakPolarHBondContact OD1-CB 3.47Å; D307-A310 PolarHBondContact OD1-N 3.29Å; A310-E313 PolarHBondContact O-N 2.93Å; A310-H314 WeakPolarHBondContact O-CB 3.32Å; A310-H314 PolarHBondContact O-N 2.96Å
311	L	92.1	Very high	85.1	Confident	78 Å²	78	65.9 Å²	65.9	41%	0.408	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-41.9	173.4	-71.1	175.4	0	0	0	112.2	P306 D307 E309 H314 A315	P306-L311 HydrophobicContact CB-CD2 3.98Å; P306-L311 HydrophobicContact CB-CG 4.02Å; P306-L311 HydrophobicContact CG-CD2 3.73Å; P306-L311 HydrophobicContact CG-CG 4.14Å; D307-L311 WeakPolarHBondContact O-CG 3.43Å; D307-L311 PolarHBondContact O-N 3.37Å; D307-L311 VanDerWaalsContact O-N 3.08Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 2.98Å; L311-H314 PolarHBondContact O-N 2.95Å; L311-A315 VanDerWaalsContact O-CB 3.31Å; L311-A315 WeakPolarHBondContact O-CB 3.37Å; L311-A315 PolarHBondContact O-N 2.95Å
312	A	94.3	Very high	87.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-46.4	177	0	0	0	0	0	111.5	R308 E309 H314 A315 D316 L352 H356 T359 Y361	R308-A312 PolarHBondContact O-N 3.31Å; R308-A312 VanDerWaalsContact O-N 3.14Å; E309-A312 WeakPolarHBondContact O-CB 3.5Å; E309-A312 PolarHBondContact O-N 3.39Å; E309-A312 VanDerWaalsContact O-N 3.17Å; A312-H314 VanDerWaalsContact C-N 3.34Å; A312-H314 PolarHBondContact O-N 3.49Å; A312-A315 PolarHBondContact O-N 2.96Å; A312-D316 VanDerWaalsContact O-CB 3.27Å; A312-D316 WeakPolarHBondContact O-CB 3.44Å; A312-D316 PolarHBondContact O-N 3.28Å; A312-L352 HydrophobicContact CB-CD1 4.28Å; A312-H356 HydrophobicContact CB-CB 3.72Å; A312-T359 HydrophobicContact CB-CG2 4.05Å; A312-Y361 HydrophobicContact CB-CD1 4.12Å; A312-Y361 HydrophobicContact CB-CG 4.32Å
313	E	93.3	Very high	89.2	Confident	64 Å²	64	57.7 Å²	57.7	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-44	176.9	-179.1	171.3	-150.7	0	0	111.9	R302 E309 A310 D316 L317 Y361	R302-E313 IonicContact NH1-OE2 2.76Å; R302-E313 PolarHBondContact NH1-OE2 3.49Å; E309-E313 PolarHBondContact O-N 3.14Å; A310-E313 PolarHBondContact O-N 2.93Å; E313-D316 PolarHBondContact O-N 3.45Å; E313-L317 WeakPolarHBondContact O-CB 3.44Å; E313-L317 PolarHBondContact O-N 3.44Å; E313-Y361 HydrophobicContact CB-CD2 3.89Å; E313-Y361 HydrophobicContact CB-CE2 3.61Å; E313-Y361 HydrophobicContact CG-CD2 4.38Å; E313-Y361 HydrophobicContact CG-CE2 3.69Å
314	H	92.1	Very high	90.9	Very high	62 Å²	62	54.6 Å²	54.6	29%	0.287	27%	0.27	S	S	.	.	H	α-helix	trans	-67.4	-44.3	178.4	-179.2	67.4	0	0	0	112.6	L303 A310 L311 A312 D316 L317 K318	L303-H314 HydrophobicContact CD2-CB 4.11Å; A310-H314 WeakPolarHBondContact O-CB 3.32Å; A310-H314 PolarHBondContact O-N 2.96Å; L311-H314 PolarHBondContact O-N 2.95Å; A312-H314 VanDerWaalsContact C-N 3.34Å; A312-H314 PolarHBondContact O-N 3.49Å; H314-D316 PolarHBondContact O-N 3.33Å; H314-L317 PolarHBondContact O-N 3.12Å; H314-K318 WeakPolarHBondContact O-CB 3.15Å; H314-K318 PolarHBondContact O-N 3.34Å
315	A	94.1	Very high	92.6	Very high	39 Å²	39	53.8 Å²	53.8	32%	0.322	26%	0.258	S	S	.	.	H	α-helix	trans	-59.2	-37.2	175.6	0	0	0	0	0	111.5	L311 A312 S319	L311-A315 VanDerWaalsContact O-CB 3.31Å; L311-A315 WeakPolarHBondContact O-CB 3.37Å; L311-A315 PolarHBondContact O-N 2.95Å; A312-A315 PolarHBondContact O-N 2.96Å; A315-S319 PolarHBondContact O-N 3.32Å
316	D	95.4	Very high	94.3	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-71.6	-42.4	179.5	-156	29.9	0	0	0	112.9	R114 A312 E313 H314 K318 S319 M320 L352 Y361	R114-D316 IonicContact CZ-OD1 3.88Å; R114-D316 IonicContact CZ-OD2 3.69Å; R114-D316 IonicContact NH1-OD1 3.39Å; R114-D316 IonicContact NH1-OD2 2.86Å; R114-D316 PolarHBondContact NH1-OD2 3.2Å; R114-D316 IonicContact NH2-OD1 2.68Å; R114-D316 PolarHBondContact NH2-OD1 2.71Å; R114-D316 IonicContact NH2-OD2 2.84Å; R114-D316 PolarHBondContact NH2-OD2 3.31Å; A312-D316 VanDerWaalsContact O-CB 3.27Å; A312-D316 WeakPolarHBondContact O-CB 3.44Å; A312-D316 PolarHBondContact O-N 3.28Å; E313-D316 PolarHBondContact O-N 3.45Å; H314-D316 PolarHBondContact O-N 3.33Å; D316-K318 VanDerWaalsContact C-N 3.35Å; D316-K318 PolarHBondContact O-N 2.92Å; D316-S319 WeakPolarHBondContact O-CB 3.44Å; D316-S319 PolarHBondContact O-N 2.87Å; D316-M320 PolarHBondContact O-N 3.49Å; D316-L352 HydrophobicContact CB-CD1 4.05Å; D316-L352 HydrophobicContact CB-CD2 4.42Å; D316-Y361 HydrophobicContact CB-CE1 3.72Å; D316-Y361 WeakPolarHBondContact OD2-CE1 3.37Å; D316-Y361 PolarHBondContact OD2-OH 3.04Å
317	L	95.8	Very high	95.3	Very high	21 Å²	21	48.4 Å²	48.4	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-59	-44.8	171.8	175.2	58.4	0	0	0	111.6	E313 H314 S319 M320 V321	E313-L317 WeakPolarHBondContact O-CB 3.44Å; E313-L317 PolarHBondContact O-N 3.44Å; H314-L317 PolarHBondContact O-N 3.12Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 3.33Å; L317-M320 HydrophobicContact CD1-CE 3.52Å; L317-M320 WeakPolarHBondContact O-CA 3.43Å; L317-M320 VanDerWaalsContact O-CB 3.22Å; L317-M320 WeakPolarHBondContact O-CB 3.41Å; L317-M320 PolarHBondContact O-N 2.77Å; L317-M320 VanDerWaalsContact O-N 3.09Å; L317-V321 HydrophobicContact CD1-CG2 4.36Å; L317-V321 WeakPolarHBondContact O-CG2 3.45Å; L317-V321 PolarHBondContact O-N 3.21Å
318	K	96.1	Very high	95.9	Very high	110 Å²	110	43.7 Å²	43.7	48%	0.478	20%	0.2	S	C	.	.	H	α-helix	trans	-59.5	-43.2	175.4	-177	171.2	-173.9	173.5	0	111.8	H314 D316 M320 V321 E322	H314-K318 WeakPolarHBondContact O-CB 3.15Å; H314-K318 PolarHBondContact O-N 3.34Å; D316-K318 VanDerWaalsContact C-N 3.35Å; D316-K318 PolarHBondContact O-N 2.92Å; K318-M320 VanDerWaalsContact C-N 3.29Å; K318-M320 PolarHBondContact O-N 2.94Å; K318-V321 PolarHBondContact O-N 2.85Å; K318-E322 PolarHBondContact O-N 3.14Å
319	S	97.8	Very high	96.2	Very high	11 Å²	11	35.8 Å²	35.8	8%	0.077	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-36.2	174.8	-156	0	0	0	0	112.2	A315 D316 L317 L323 H344 F346	A315-S319 PolarHBondContact O-N 3.32Å; D316-S319 WeakPolarHBondContact O-CB 3.44Å; D316-S319 PolarHBondContact O-N 2.87Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 3.33Å; S319-L323 PolarHBondContact O-N 3.19Å; S319-L323 VanDerWaalsContact O-N 3.16Å; S319-H344 PolarHBondContact O-CE1 3.3Å; S319-F346 WeakPolarHBondContact OG-CA 3.39Å; S319-F346 PolarHBondContact OG-N 3.03Å; S319-F346 VanDerWaalsContact OG-N 3.15Å
320	M	98.4	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-47.6	173.8	-166.8	176.4	72.9	0	0	111.9	A110 I113 M205 H209 D316 L317 K318 E322 L323 I324 F346	A110-M320 HydrophobicContact CB-SD 3.99Å; I113-M320 HydrophobicContact CB-SD 3.95Å; I113-M320 HydrophobicContact CD1-CE 4.16Å; I113-M320 HydrophobicContact CD1-SD 3.91Å; I113-M320 HydrophobicContact CG2-SD 3.77Å; M205-M320 HydrophobicContact CE-CG 3.71Å; H209-M320 HydrophobicContact CB-CE 3.9Å; D316-M320 PolarHBondContact O-N 3.49Å; L317-M320 HydrophobicContact CD1-CE 3.52Å; L317-M320 WeakPolarHBondContact O-CA 3.43Å; L317-M320 VanDerWaalsContact O-CB 3.22Å; L317-M320 WeakPolarHBondContact O-CB 3.41Å; L317-M320 PolarHBondContact O-N 2.77Å; L317-M320 VanDerWaalsContact O-N 3.09Å; K318-M320 VanDerWaalsContact C-N 3.29Å; K318-M320 PolarHBondContact O-N 2.94Å; M320-E322 VanDerWaalsContact C-N 3.31Å; M320-E322 PolarHBondContact O-N 3.02Å; M320-L323 WeakPolarHBondContact O-CB 3.49Å; M320-L323 PolarHBondContact O-N 2.8Å; M320-L323 VanDerWaalsContact O-N 3.08Å; M320-I324 HydrophobicContact CE-CD1 4.37Å; M320-I324 HydrophobicContact CG-CD1 4.23Å; M320-I324 WeakPolarHBondContact O-CG1 3.3Å; M320-I324 PolarHBondContact O-N 3.15Å; M320-F346 VanDerWaalsContact CA-CD2 3.46Å; M320-F346 HydrophobicContact CB-CD2 3.59Å; M320-F346 HydrophobicContact CB-CE1 4.33Å; M320-F346 HydrophobicContact CB-CE2 3.31Å; M320-F346 HydrophobicContact CB-CG 4.21Å; M320-F346 HydrophobicContact CB-CZ 3.73Å; M320-F346 HydrophobicContact CG-CD1 4.41Å; M320-F346 HydrophobicContact CG-CD2 4.19Å; M320-F346 HydrophobicContact CG-CE1 3.85Å; M320-F346 HydrophobicContact CG-CE2 3.59Å; M320-F346 HydrophobicContact CG-CZ 3.4Å; M320-F346 VanDerWaalsContact CG-CZ 3.4Å; M320-F346 HydrophobicContact SD-CE2 4.09Å; M320-F346 HydrophobicContact SD-CZ 3.74Å
321	V	98.5	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-38.4	-179.1	172.7	0	0	0	0	111	L288 I291 E292 L317 K318 L323 I324 K325	L288-V321 WeakPolarHBondContact O-CG1 3.46Å; I291-V321 HydrophobicContact CB-CG2 3.9Å; I291-V321 HydrophobicContact CG2-CG2 3.75Å; E292-V321 HydrophobicContact CG-CB 4.02Å; E292-V321 HydrophobicContact CG-CG1 4.19Å; E292-V321 HydrophobicContact CG-CG2 3.68Å; L317-V321 HydrophobicContact CD1-CG2 4.36Å; L317-V321 WeakPolarHBondContact O-CG2 3.45Å; L317-V321 PolarHBondContact O-N 3.21Å; K318-V321 PolarHBondContact O-N 2.85Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 2.91Å; V321-I324 PolarHBondContact O-N 3.48Å; V321-K325 HydrophobicContact CG1-CD 4.12Å; V321-K325 WeakPolarHBondContact O-CG 3.12Å; V321-K325 PolarHBondContact O-N 3.45Å
322	E	98.6	Very high	96.8	Very high	65 Å²	65	31 Å²	31	30%	0.304	15%	0.149	S	C	.	.	H	α-helix	trans	-60.6	-38.8	171.4	-75.5	-60.4	128.4	0	0	112.8	K318 M320 K325 R326	K318-E322 PolarHBondContact O-N 3.14Å; M320-E322 VanDerWaalsContact C-N 3.31Å; M320-E322 PolarHBondContact O-N 3.02Å; E322-K325 IonicContact OE1-NZ 2.71Å; E322-K325 PolarHBondContact OE1-NZ 3.26Å; E322-R326 WeakPolarHBondContact O-CG 3.33Å; E322-R326 PolarHBondContact O-N 3.41Å
323	L	98.9	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-45	173.3	-176.6	54	0	0	0	111.7	T117 M205 S319 M320 V321 K325 R326 M327 I336 A341 H344 F346 V347	T117-L323 HydrophobicContact CG2-CD2 4.29Å; M205-L323 HydrophobicContact CE-CD2 4.15Å; M205-L323 HydrophobicContact CE-CG 4.48Å; S319-L323 PolarHBondContact O-N 3.19Å; S319-L323 VanDerWaalsContact O-N 3.16Å; M320-L323 WeakPolarHBondContact O-CB 3.49Å; M320-L323 PolarHBondContact O-N 2.8Å; M320-L323 VanDerWaalsContact O-N 3.08Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 2.91Å; L323-K325 VanDerWaalsContact C-N 3.3Å; L323-K325 PolarHBondContact O-N 2.84Å; L323-R326 PolarHBondContact O-N 2.85Å; L323-R326 VanDerWaalsContact O-N 3.12Å; L323-M327 HydrophobicContact CD1-CE 3.92Å; L323-M327 HydrophobicContact CD1-CG 4.31Å; L323-M327 HydrophobicContact CD2-CE 3.93Å; L323-M327 HydrophobicContact CG-CE 3.81Å; L323-M327 HydrophobicContact CG-CG 4.44Å; L323-M327 HydrophobicContact CG-SD 4.2Å; L323-M327 WeakPolarHBondContact O-CG 3.48Å; L323-M327 PolarHBondContact O-N 2.86Å; L323-I336 HydrophobicContact CD1-CD1 4.05Å; L323-A341 HydrophobicContact CD1-CB 4.11Å; L323-H344 HydrophobicContact CD1-CB 3.93Å; L323-H344 HydrophobicContact CD2-CB 4.43Å; L323-F346 HydrophobicContact CD2-CB 4.45Å; L323-F346 HydrophobicContact CD2-CD1 3.72Å; L323-V347 HydrophobicContact CD2-CG2 3.66Å
324	I	98.9	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.6	-45.3	177.3	-69.3	170	0	0	0	110.1	M205 A206 I291 M320 V321 R326 M327 L328	M205-I324 HydrophobicContact CB-CD1 3.98Å; M205-I324 HydrophobicContact CB-CG1 3.94Å; M205-I324 HydrophobicContact CE-CD1 4.45Å; M205-I324 HydrophobicContact CE-CG1 3.92Å; M205-I324 HydrophobicContact SD-CG1 4.4Å; A206-I324 HydrophobicContact CB-CD1 4.42Å; I291-I324 HydrophobicContact CD1-CG2 4.33Å; M320-I324 HydrophobicContact CE-CD1 4.37Å; M320-I324 HydrophobicContact CG-CD1 4.23Å; M320-I324 WeakPolarHBondContact O-CG1 3.3Å; M320-I324 PolarHBondContact O-N 3.15Å; V321-I324 PolarHBondContact O-N 3.48Å; I324-R326 VanDerWaalsContact C-N 3.32Å; I324-R326 PolarHBondContact O-N 2.88Å; I324-M327 CarbonylContact O-C 3.48Å; I324-M327 PolarHBondContact O-N 3.49Å; I324-M327 VanDerWaalsContact O-N 3.09Å; I324-L328 HydrophobicContact CG2-CD1 3.59Å; I324-L328 HydrophobicContact CG2-CG 4.08Å; I324-L328 WeakPolarHBondContact O-CB 3.49Å; I324-L328 WeakPolarHBondContact O-CG 3.3Å; I324-L328 PolarHBondContact O-N 3.4Å
325	K	98.8	Very high	97.3	Very high	58 Å²	58	36.4 Å²	36.4	25%	0.252	17%	0.173	S	C	.	.	H	α-helix	trans	-58.2	-41.6	176.4	-72.5	164.2	65	-179.4	0	112.6	L288 D289 V321 E322 L323 M327 L328 T329	L288-K325 HydrophobicContact CB-CD 4.37Å; L288-K325 HydrophobicContact CB-CG 3.76Å; L288-K325 HydrophobicContact CD1-CB 4.34Å; L288-K325 HydrophobicContact CD1-CG 3.71Å; L288-K325 HydrophobicContact CG-CG 4.41Å; D289-K325 WeakPolarHBondContact OD1-CE 3.48Å; D289-K325 IonicContact OD1-NZ 2.76Å; D289-K325 PolarHBondContact OD1-NZ 2.95Å; V321-K325 HydrophobicContact CG1-CD 4.12Å; V321-K325 WeakPolarHBondContact O-CG 3.12Å; V321-K325 PolarHBondContact O-N 3.45Å; E322-K325 IonicContact OE1-NZ 2.71Å; E322-K325 PolarHBondContact OE1-NZ 3.26Å; L323-K325 VanDerWaalsContact C-N 3.3Å; L323-K325 PolarHBondContact O-N 2.84Å; K325-M327 VanDerWaalsContact C-N 3.34Å; K325-L328 PolarHBondContact O-N 2.99Å; K325-T329 PolarHBondContact O-N 3.42Å; K325-T329 PolarHBondContact O-OG1 3.21Å; K325-T329 VanDerWaalsContact O-OG1 3.1Å
326	R	98.8	Very high	97.5	Very high	131 Å²	131	35.4 Å²	35.4	49%	0.494	16%	0.163	S	C	.	.	H	α-helix	trans	-70	-28.5	176	-68.8	-175.4	-176.8	-161.5	2	113.5	E322 L323 I324 T329 I336	E322-R326 WeakPolarHBondContact O-CG 3.33Å; E322-R326 PolarHBondContact O-N 3.41Å; L323-R326 PolarHBondContact O-N 2.85Å; L323-R326 VanDerWaalsContact O-N 3.12Å; I324-R326 VanDerWaalsContact C-N 3.32Å; I324-R326 PolarHBondContact O-N 2.88Å; R326-T329 PolarHBondContact O-OG1 2.93Å; R326-I336 HydrophobicContact CB-CB 4.08Å; R326-I336 HydrophobicContact CB-CD1 4.34Å; R326-I336 HydrophobicContact CB-CG2 4.03Å; R326-I336 WeakPolarHBondContact O-CG2 3.13Å; R326-I336 PolarHBondContact O-N 2.82Å
327	M	98.9	Very high	97.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-78.3	-34.1	174	-69	-178.8	168.1	0	0	112.2	T117 L121 V198 L201 M205 L323 I324 K325 T329 R335 I336 A341	T117-M327 HydrophobicContact CG2-CE 4.38Å; L121-M327 HydrophobicContact CD1-CE 4.22Å; L121-M327 HydrophobicContact CD2-CE 3.87Å; L121-M327 HydrophobicContact CG-CE 4.36Å; V198-M327 HydrophobicContact CG1-CB 4.04Å; V198-M327 HydrophobicContact CG1-CG 3.72Å; L201-M327 HydrophobicContact CD2-CE 3.96Å; L201-M327 HydrophobicContact CG-CE 4.35Å; L201-M327 HydrophobicContact CG-SD 4.3Å; M205-M327 HydrophobicContact SD-CE 4.05Å; M205-M327 HydrophobicContact SD-SD 3.63Å; M205-M327 VanDerWaalsContact SD-SD 3.63Å; L323-M327 HydrophobicContact CD1-CE 3.92Å; L323-M327 HydrophobicContact CD1-CG 4.31Å; L323-M327 HydrophobicContact CD2-CE 3.93Å; L323-M327 HydrophobicContact CG-CE 3.81Å; L323-M327 HydrophobicContact CG-CG 4.44Å; L323-M327 HydrophobicContact CG-SD 4.2Å; L323-M327 WeakPolarHBondContact O-CG 3.48Å; L323-M327 PolarHBondContact O-N 2.86Å; I324-M327 CarbonylContact O-C 3.48Å; I324-M327 PolarHBondContact O-N 3.49Å; I324-M327 VanDerWaalsContact O-N 3.09Å; K325-M327 VanDerWaalsContact C-N 3.34Å; M327-T329 VanDerWaalsContact C-N 3.31Å; M327-T329 PolarHBondContact O-N 3.31Å; M327-R335 WeakPolarHBondContact O-CD 3.44Å; M327-R335 VanDerWaalsContact O-CG 3.32Å; M327-R335 WeakPolarHBondContact O-CG 3.39Å; M327-R335 PolarHBondContact O-NE 3.17Å; M327-I336 HydrophobicContact CG-CG2 3.83Å; M327-A341 HydrophobicContact CE-CB 4.11Å
328	L	98.8	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-94.4	22.3	-178.6	-59.9	-175.4	0	0	0	113.4	W199 L214 Y215 Q231 L288 I324 K325	W199-L328 HydrophobicContact CD2-CD2 3.79Å; W199-L328 HydrophobicContact CE3-CB 4.39Å; W199-L328 HydrophobicContact CE3-CD2 4.05Å; W199-L328 HydrophobicContact CG-CD2 4.18Å; W199-L328 HydrophobicContact CH2-CB 4.46Å; W199-L328 HydrophobicContact CZ2-CD2 4.3Å; W199-L328 HydrophobicContact CZ3-CB 4.17Å; W199-L328 HydrophobicContact CZ3-CD2 4.43Å; W199-L328 WeakPolarHBondContact CZ3-O 3.07Å; W199-L328 WeakPolarHBondContact O-CD2 3.02Å; L214-L328 HydrophobicContact CD2-CD1 3.58Å; Y215-L328 HydrophobicContact CE2-CD1 4.46Å; Q231-L328 PolarHBondContact NE2-O 3.44Å; Q231-L328 PolarHBondContact OE1-O 3.4Å; Q231-L328 VanDerWaalsContact OE1-O 3.07Å; L288-L328 HydrophobicContact CD1-CB 4.07Å; L288-L328 HydrophobicContact CD1-CD1 4.02Å; L288-L328 HydrophobicContact CD2-CD1 4.09Å; I324-L328 HydrophobicContact CG2-CD1 3.59Å; I324-L328 HydrophobicContact CG2-CG 4.08Å; I324-L328 WeakPolarHBondContact O-CB 3.49Å; I324-L328 WeakPolarHBondContact O-CG 3.3Å; I324-L328 PolarHBondContact O-N 3.4Å; K325-L328 PolarHBondContact O-N 2.99Å
329	T	98.4	Very high	97.9	Very high	34 Å²	34	32.7 Å²	32.7	21%	0.209	16%	0.159	C	C	.	.			trans	-66.4	132.7	173.2	-56.6	0	0	0	0	110.8	K325 R326 M327 E334 R335	K325-T329 PolarHBondContact O-N 3.42Å; K325-T329 PolarHBondContact O-OG1 3.21Å; K325-T329 VanDerWaalsContact O-OG1 3.1Å; R326-T329 PolarHBondContact O-OG1 2.93Å; M327-T329 VanDerWaalsContact C-N 3.31Å; M327-T329 PolarHBondContact O-N 3.31Å; T329-E334 HydrophobicContact CG2-CB 4.05Å; T329-R335 PolarHBondContact O-NE 3.32Å; T329-R335 VanDerWaalsContact O-NE 3.08Å; T329-R335 PolarHBondContact O-NH2 3.22Å
330	W	95.8	Very high	97.9	Very high	25 Å²	25	33.6 Å²	33.6	10%	0.095	17%	0.167	C	C	.	.	S	Bend	trans	-57.3	-52	-179.7	-84.5	105.1	0	0	0	111.8	P184 L188 I227 G232 P234 L238 S332 R335	P184-W330 HydrophobicContact CB-CD2 4.46Å; P184-W330 HydrophobicContact CB-CE3 3.38Å; P184-W330 HydrophobicContact CB-CZ3 3.4Å; P184-W330 VanDerWaalsContact CB-CZ3 3.4Å; P184-W330 HydrophobicContact CG-CE3 3.94Å; P184-W330 HydrophobicContact CG-CZ3 4.41Å; L188-W330 HydrophobicContact CD1-CE3 4.46Å; L188-W330 HydrophobicContact CD1-CZ3 3.98Å; I227-W330 HydrophobicContact CB-CH2 4.3Å; I227-W330 HydrophobicContact CB-CZ2 4.25Å; I227-W330 HydrophobicContact CG2-CH2 3.69Å; I227-W330 HydrophobicContact CG2-CZ2 3.39Å; I227-W330 HydrophobicContact CG2-CZ3 4.45Å; G232-W330 PolarHBondContact O-NE1 3.36Å; P234-W330 HydrophobicContact CB-CD2 3.8Å; P234-W330 HydrophobicContact CB-CE3 3.7Å; P234-W330 HydrophobicContact CB-CG 4.31Å; P234-W330 HydrophobicContact CB-CH2 4.36Å; P234-W330 HydrophobicContact CB-CZ2 4.42Å; P234-W330 HydrophobicContact CB-CZ3 4Å; P234-W330 HydrophobicContact CG-CD2 4.44Å; P234-W330 HydrophobicContact CG-CE3 4.15Å; P234-W330 HydrophobicContact CG-CH2 3.97Å; P234-W330 HydrophobicContact CG-CZ2 4.25Å; P234-W330 HydrophobicContact CG-CZ3 3.91Å; L238-W330 HydrophobicContact CD1-CB 4.19Å; W330-S332 PolarHBondContact O-N 3.15Å; W330-R335 PolarHBondContact O-NH2 3.43Å
331	E	95.6	Very high	97.9	Very high	11 Å²	11	33.6 Å²	33.6	5%	0.051	17%	0.167	C	C	.	.	S	Bend	trans	-72.1	108.3	-180	-70.3	77.3	179	0	0	110.8	K235 L238 H333 E334 R335	K235-E331 WeakPolarHBondContact CD-OE1 3.38Å; K235-E331 WeakPolarHBondContact CE-OE1 3.31Å; K235-E331 VanDerWaalsContact CG-OE1 3.31Å; K235-E331 WeakPolarHBondContact CG-OE1 3.31Å; K235-E331 VanDerWaalsContact NZ-CD 3.35Å; K235-E331 IonicContact NZ-OE1 3.5Å; K235-E331 PolarHBondContact NZ-OE1 2.88Å; K235-E331 IonicContact NZ-OE2 3.5Å; L238-E331 HydrophobicContact CD1-CG 3.93Å; L238-E331 HydrophobicContact CD2-CG 4.35Å; L238-E331 HydrophobicContact CG-CG 4.42Å; E331-H333 PolarHBondContact O-N 3.04Å; E331-H333 VanDerWaalsContact O-N 3.12Å; E331-E334 HydrophobicContact CB-CB 3.94Å; E331-E334 HydrophobicContact CB-CG 3.8Å; E331-E334 HydrophobicContact CG-CG 4.41Å; E331-E334 PolarHBondContact O-N 3.2Å; E331-R335 PolarHBondContact O-N 3.14Å
332	S	95.6	Very high	97.9	Very high	18 Å²	18	35.7 Å²	35.7	13%	0.126	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-34.4	178.7	-162.4	0	0	0	0	113	E185 K195 W330 R335	E185-S332 VanDerWaalsContact OE1-CB 3.22Å; E185-S332 WeakPolarHBondContact OE1-CB 3.23Å; E185-S332 PolarHBondContact OE1-OG 3.5Å; K195-S332 WeakPolarHBondContact CD-O 3.17Å; K195-S332 PolarHBondContact NZ-O 3.19Å; W330-S332 PolarHBondContact O-N 3.15Å; S332-R335 WeakPolarHBondContact O-CB 3.43Å; S332-R335 PolarHBondContact O-N 3.18Å
333	H	95.2	Very high	97.9	Very high	131 Å²	131	40.8 Å²	40.8	61%	0.606	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-35.4	178.6	66.9	-84.5	0	0	0	113.2	K195 E331	K195-H333 PolarHBondContact NZ-O 2.88Å; E331-H333 PolarHBondContact O-N 3.04Å; E331-H333 VanDerWaalsContact O-N 3.12Å
334	E	97.1	Very high	97.9	Very high	105 Å²	105	41.2 Å²	41.2	49%	0.491	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-24.3	175.1	-58.2	-178.6	171.2	0	0	112.1	K235 T329 E331 I336	K235-E334 IonicContact NZ-OE1 3.16Å; K235-E334 PolarHBondContact NZ-OE1 3.4Å; K235-E334 IonicContact NZ-OE2 2.88Å; K235-E334 PolarHBondContact NZ-OE2 3.16Å; T329-E334 HydrophobicContact CG2-CB 4.05Å; E331-E334 HydrophobicContact CB-CB 3.94Å; E331-E334 HydrophobicContact CB-CG 3.8Å; E331-E334 HydrophobicContact CG-CG 4.41Å; E331-E334 PolarHBondContact O-N 3.2Å; E334-I336 PolarHBondContact O-N 3.16Å
335	R	98.5	Very high	97.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.008	21%	0.206	C	C	.	.	S	Bend	trans	-57	136.3	178.5	-168.9	-176.7	-58.2	139.9	9.6	111.4	E185 K195 V198 M327 T329 W330 E331 S332	E185-R335 IonicContact OE1-CZ 3.09Å; E185-R335 IonicContact OE1-NH1 2.74Å; E185-R335 PolarHBondContact OE1-NH1 2.89Å; E185-R335 IonicContact OE1-NH2 3.75Å; E185-R335 PolarHBondContact OE1-NH2 3.33Å; E185-R335 IonicContact OE2-CZ 3.35Å; E185-R335 IonicContact OE2-NH1 3.53Å; E185-R335 PolarHBondContact OE2-NH1 3.42Å; E185-R335 IonicContact OE2-NH2 3.36Å; E185-R335 PolarHBondContact OE2-NH2 3.42Å; K195-R335 HydrophobicContact CD-CB 4.33Å; K195-R335 WeakPolarHBondContact CE-O 3.4Å; K195-R335 PolarHBondContact NZ-O 3.23Å; K195-R335 WeakPolarHBondContact O-CD 3.36Å; K195-R335 PolarHBondContact O-NH1 3.36Å; V198-R335 HydrophobicContact CG1-CG 4.48Å; M327-R335 WeakPolarHBondContact O-CD 3.44Å; M327-R335 VanDerWaalsContact O-CG 3.32Å; M327-R335 WeakPolarHBondContact O-CG 3.39Å; M327-R335 PolarHBondContact O-NE 3.17Å; T329-R335 PolarHBondContact O-NE 3.32Å; T329-R335 VanDerWaalsContact O-NE 3.08Å; T329-R335 PolarHBondContact O-NH2 3.22Å; W330-R335 PolarHBondContact O-NH2 3.43Å; E331-R335 PolarHBondContact O-N 3.14Å; S332-R335 WeakPolarHBondContact O-CB 3.43Å; S332-R335 PolarHBondContact O-N 3.18Å
336	I	98.7	Very high	97.8	Very high	19 Å²	19	39.8 Å²	39.8	10%	0.097	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-57.3	138.3	-177.7	-163.6	168.5	0	0	0	111.3	V198 L323 R326 M327 E334 A340 A341	V198-I336 HydrophobicContact CG1-CG2 4.1Å; L323-I336 HydrophobicContact CD1-CD1 4.05Å; R326-I336 HydrophobicContact CB-CB 4.08Å; R326-I336 HydrophobicContact CB-CD1 4.34Å; R326-I336 HydrophobicContact CB-CG2 4.03Å; R326-I336 WeakPolarHBondContact O-CG2 3.13Å; R326-I336 PolarHBondContact O-N 2.82Å; M327-I336 HydrophobicContact CG-CG2 3.83Å; E334-I336 PolarHBondContact O-N 3.16Å; I336-A340 HydrophobicContact CD1-CB 4.3Å; I336-A340 HydrophobicContact CG1-CB 3.71Å; I336-A341 HydrophobicContact CD1-CB 3.92Å; I336-A341 HydrophobicContact CG1-CB 4.13Å; I336-A341 HydrophobicContact CG2-CB 4.3Å
337	S	98.6	Very high	97.8	Very high	28 Å²	28	33.9 Å²	33.9	20%	0.196	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-82.1	158.4	173.9	65	0	0	0	0	111.2	S339 A340 A341	S337-S339 VanDerWaalsContact C-N 3.31Å; S337-S339 PolarHBondContact O-N 2.94Å; S337-A340 PolarHBondContact O-N 2.97Å; S337-A340 VanDerWaalsContact O-N 3.11Å; S337-A340 VanDerWaalsContact OG-CB 3.31Å; S337-A340 WeakPolarHBondContact OG-CB 3.26Å; S337-A340 PolarHBondContact OG-N 3.38Å; S337-A341 WeakPolarHBondContact O-CB 3.28Å; S337-A341 PolarHBondContact O-N 3.36Å
338	P	98.3	Very high	97.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.013	19%	0.189	C	C	.	.	H	α-helix	trans	-53.5	-46.6	176.6	-27.4	34.9	0	0	0	113	L121 L124 A125 V198 A340 A341 L342	L121-P338 HydrophobicContact CD2-CB 4.41Å; L124-P338 HydrophobicContact CB-CB 4.04Å; L124-P338 HydrophobicContact CB-CG 3.87Å; A125-P338 HydrophobicContact CB-CB 4.11Å; V198-P338 HydrophobicContact CG2-CG 3.84Å; P338-A340 VanDerWaalsContact C-N 3.34Å; P338-A340 PolarHBondContact O-N 3.43Å; P338-A341 PolarHBondContact O-N 3.44Å; P338-L342 WeakPolarHBondContact O-CG 3.19Å; P338-L342 PolarHBondContact O-N 3.32Å
339	S	97.8	Very high	97.5	Very high	46 Å²	46	37 Å²	37	32%	0.322	19%	0.193	S	C	.	.	H	α-helix	trans	-63.9	-36.1	179	-40.6	0	0	0	0	113	S337 R343	S337-S339 VanDerWaalsContact C-N 3.31Å; S337-S339 PolarHBondContact O-N 2.94Å; S339-R343 VanDerWaalsContact O-CZ 3.31Å; S339-R343 PolarHBondContact O-NH1 2.8Å; S339-R343 VanDerWaalsContact O-NH1 3.09Å
340	A	98.4	Very high	97.2	Very high	30 Å²	30	42 Å²	42	25%	0.248	21%	0.214	C	C	.	.	H	α-helix	trans	-72.4	-37.3	174.6	0	0	0	0	0	111.8	I336 S337 P338 L342 R343 H344	I336-A340 HydrophobicContact CD1-CB 4.3Å; I336-A340 HydrophobicContact CG1-CB 3.71Å; S337-A340 PolarHBondContact O-N 2.97Å; S337-A340 VanDerWaalsContact O-N 3.11Å; S337-A340 VanDerWaalsContact OG-CB 3.31Å; S337-A340 WeakPolarHBondContact OG-CB 3.26Å; S337-A340 PolarHBondContact OG-N 3.38Å; P338-A340 VanDerWaalsContact C-N 3.34Å; P338-A340 PolarHBondContact O-N 3.43Å; A340-L342 VanDerWaalsContact C-N 3.34Å; A340-L342 PolarHBondContact O-N 3.48Å; A340-R343 PolarHBondContact O-N 3.46Å; A340-R343 VanDerWaalsContact O-N 3.13Å; A340-H344 PolarHBondContact O-N 3.44Å
341	A	98.6	Very high	96.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.4	-35	176.4	0	0	0	0	0	112.3	L121 L323 M327 I336 S337 P338 R343 H344 V347	L121-A341 HydrophobicContact CD1-CB 3.71Å; L121-A341 HydrophobicContact CD2-CB 3.64Å; L121-A341 HydrophobicContact CG-CB 4.34Å; L323-A341 HydrophobicContact CD1-CB 4.11Å; M327-A341 HydrophobicContact CE-CB 4.11Å; I336-A341 HydrophobicContact CD1-CB 3.92Å; I336-A341 HydrophobicContact CG1-CB 4.13Å; I336-A341 HydrophobicContact CG2-CB 4.3Å; S337-A341 WeakPolarHBondContact O-CB 3.28Å; S337-A341 PolarHBondContact O-N 3.36Å; P338-A341 PolarHBondContact O-N 3.44Å; A341-R343 PolarHBondContact O-N 3.27Å; A341-H344 WeakPolarHBondContact O-CB 3.27Å; A341-H344 PolarHBondContact O-N 2.86Å; A341-V347 WeakPolarHBondContact O-CG2 3.42Å
342	L	98.3	Very high	96.8	Very high	45 Å²	45	45.9 Å²	45.9	24%	0.236	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-28.6	172.3	-74.8	170.6	0	0	0	113.1	L118 L121 R122 A125 P338 A340 V347	L118-L342 HydrophobicContact CD1-CD2 3.77Å; L121-L342 HydrophobicContact CB-CD2 3.58Å; L121-L342 HydrophobicContact CB-CG 3.92Å; L121-L342 HydrophobicContact CD1-CD2 4.32Å; R122-L342 HydrophobicContact CG-CD1 4.45Å; R122-L342 HydrophobicContact CG-CD2 4.08Å; A125-L342 HydrophobicContact CB-CD1 4.3Å; P338-L342 WeakPolarHBondContact O-CG 3.19Å; P338-L342 PolarHBondContact O-N 3.32Å; A340-L342 VanDerWaalsContact C-N 3.34Å; A340-L342 PolarHBondContact O-N 3.48Å; L342-V347 HydrophobicContact CD2-CG1 4.4Å
343	R	98	Very high	96.7	Very high	172 Å²	172	49.5 Å²	49.5	65%	0.649	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.9	175.9	-63.8	-174.7	-65.8	-90.5	4.3	113.3	S339 A340 A341	S339-R343 VanDerWaalsContact O-CZ 3.31Å; S339-R343 PolarHBondContact O-NH1 2.8Å; S339-R343 VanDerWaalsContact O-NH1 3.09Å; A340-R343 PolarHBondContact O-N 3.46Å; A340-R343 VanDerWaalsContact O-N 3.13Å; A341-R343 PolarHBondContact O-N 3.27Å
344	H	98.5	Very high	96.7	Very high	8 Å²	8	48 Å²	48	4%	0.037	25%	0.248	C	C	.	.	S	Bend	trans	-61.7	143.9	179.9	-167.8	-95.6	0	0	0	110.6	S319 L323 A340 A341 F346 V347 S348	S319-H344 PolarHBondContact O-CE1 3.3Å; L323-H344 HydrophobicContact CD1-CB 3.93Å; L323-H344 HydrophobicContact CD2-CB 4.43Å; A340-H344 PolarHBondContact O-N 3.44Å; A341-H344 WeakPolarHBondContact O-CB 3.27Å; A341-H344 PolarHBondContact O-N 2.86Å; H344-F346 WeakPolarHBondContact ND1-CB 3.38Å; H344-F346 PolarHBondContact ND1-N 3.32Å; H344-F346 PolarHBondContact O-N 2.88Å; H344-F346 VanDerWaalsContact O-N 3.14Å; H344-V347 PolarHBondContact O-N 2.85Å; H344-S348 PolarHBondContact O-N 2.89Å; H344-S348 PolarHBondContact O-OG 2.93Å
345	P	97.8	Very high	96.6	Very high	29 Å²	29	46.2 Å²	46.2	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-53	-35.4	-179.8	-31.4	37.4	0	0	0	114.8	S348 M349 Q351	P345-S348 WeakPolarHBondContact CA-OG 3.35Å; P345-M349 VanDerWaalsContact O-CA 3.26Å; P345-M349 WeakPolarHBondContact O-CA 3.24Å; P345-M349 PolarHBondContact O-N 3.19Å; P345-Q351 HydrophobicContact CB-CB 4.15Å; P345-Q351 VanDerWaalsContact CB-CD 3.46Å; P345-Q351 HydrophobicContact CB-CG 3.79Å; P345-Q351 VanDerWaalsContact CB-OE1 3.26Å; P345-Q351 HydrophobicContact CG-CG 4.33Å
346	F	98.3	Very high	96.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-45.5	173.8	176.7	-108.6	0	0	0	112.9	A110 R114 M205 S319 M320 L323 H344	A110-F346 HydrophobicContact CB-CE2 4.33Å; R114-F346 HydrophobicContact CB-CE1 3.87Å; R114-F346 HydrophobicContact CB-CE2 4.21Å; R114-F346 HydrophobicContact CB-CZ 3.59Å; R114-F346 HydrophobicContact CG-CE1 4.38Å; R114-F346 HydrophobicContact CG-CZ 4.44Å; R114-F346 PolarHBondContact NE-O 3.13Å; M205-F346 HydrophobicContact CE-CD1 4.35Å; M205-F346 HydrophobicContact CE-CE1 3.85Å; S319-F346 WeakPolarHBondContact OG-CA 3.39Å; S319-F346 PolarHBondContact OG-N 3.03Å; S319-F346 VanDerWaalsContact OG-N 3.15Å; M320-F346 VanDerWaalsContact CA-CD2 3.46Å; M320-F346 HydrophobicContact CB-CD2 3.59Å; M320-F346 HydrophobicContact CB-CE1 4.33Å; M320-F346 HydrophobicContact CB-CE2 3.31Å; M320-F346 HydrophobicContact CB-CG 4.21Å; M320-F346 HydrophobicContact CB-CZ 3.73Å; M320-F346 HydrophobicContact CG-CD1 4.41Å; M320-F346 HydrophobicContact CG-CD2 4.19Å; M320-F346 HydrophobicContact CG-CE1 3.85Å; M320-F346 HydrophobicContact CG-CE2 3.59Å; M320-F346 HydrophobicContact CG-CZ 3.4Å; M320-F346 VanDerWaalsContact CG-CZ 3.4Å; M320-F346 HydrophobicContact SD-CE2 4.09Å; M320-F346 HydrophobicContact SD-CZ 3.74Å; L323-F346 HydrophobicContact CD2-CB 4.45Å; L323-F346 HydrophobicContact CD2-CD1 3.72Å; H344-F346 WeakPolarHBondContact ND1-CB 3.38Å; H344-F346 PolarHBondContact ND1-N 3.32Å; H344-F346 PolarHBondContact O-N 2.88Å; H344-F346 VanDerWaalsContact O-N 3.14Å
347	V	98	Very high	96.2	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-80.2	-43.8	-175.7	179.6	0	0	0	0	110.9	T117 L118 L121 L323 A341 L342 H344 M349	T117-V347 HydrophobicContact CG2-CG2 4.28Å; L118-V347 HydrophobicContact CB-CG1 4.18Å; L118-V347 HydrophobicContact CD1-CG1 3.63Å; L118-V347 HydrophobicContact CG-CG1 4.48Å; L121-V347 HydrophobicContact CD1-CG2 3.92Å; L323-V347 HydrophobicContact CD2-CG2 3.66Å; A341-V347 WeakPolarHBondContact O-CG2 3.42Å; L342-V347 HydrophobicContact CD2-CG1 4.4Å; H344-V347 PolarHBondContact O-N 2.85Å; V347-M349 PolarHBondContact O-N 2.7Å
348	S	96.4	Very high	96	Very high	52 Å²	52	54.7 Å²	54.7	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-72.4	-15.9	178.4	62	0	0	0	0	113.8	H344 P345 Q350	H344-S348 PolarHBondContact O-N 2.89Å; H344-S348 PolarHBondContact O-OG 2.93Å; P345-S348 WeakPolarHBondContact CA-OG 3.35Å; S348-Q350 PolarHBondContact O-N 3.35Å; S348-Q350 VanDerWaalsContact O-N 3.13Å; S348-Q350 PolarHBondContact OG-N 3.08Å
349	M	95.6	Very high	95.9	Very high	15 Å²	15	54.9 Å²	54.9	7%	0.074	31%	0.306	C	S	.	.			trans	57.3	17.3	-172.6	-59.8	-179.2	-72.7	0	0	114.2	P345 V347 Q351 L352 R353 Y362 L366	P345-M349 VanDerWaalsContact O-CA 3.26Å; P345-M349 WeakPolarHBondContact O-CA 3.24Å; P345-M349 PolarHBondContact O-N 3.19Å; V347-M349 PolarHBondContact O-N 2.7Å; M349-Q351 PolarHBondContact O-N 2.88Å; M349-L352 PolarHBondContact O-N 2.74Å; M349-R353 WeakPolarHBondContact O-CB 3.4Å; M349-R353 PolarHBondContact O-N 3.08Å; M349-Y362 HydrophobicContact CB-CE2 4.32Å; M349-L366 HydrophobicContact CE-CD1 3.87Å
350	Q	92.1	Very high	95.8	Very high	139 Å²	139	61.4 Å²	61.4	65%	0.65	32%	0.323	S	S	*	.	H	α-helix	trans	-60.5	-47.1	-174.8	-173.9	-177.8	9.8	0	0	112.3	S348 S354	S348-Q350 PolarHBondContact O-N 3.35Å; S348-Q350 VanDerWaalsContact O-N 3.13Å; S348-Q350 PolarHBondContact OG-N 3.08Å; Q350-S354 WeakPolarHBondContact O-CB 3.46Å; Q350-S354 PolarHBondContact O-N 3.18Å; Q350-S354 PolarHBondContact O-OG 3.21Å
351	Q	89.9	Confident	95.7	Very high	109 Å²	109	60.7 Å²	60.7	51%	0.509	31%	0.314	S	S	.	.	H	α-helix	trans	-67.4	-44.4	178.3	-78.3	175.7	-15.6	0	0	111.5	P345 M349 R353 S354 A355	P345-Q351 HydrophobicContact CB-CB 4.15Å; P345-Q351 VanDerWaalsContact CB-CD 3.46Å; P345-Q351 HydrophobicContact CB-CG 3.79Å; P345-Q351 VanDerWaalsContact CB-OE1 3.26Å; P345-Q351 HydrophobicContact CG-CG 4.33Å; M349-Q351 PolarHBondContact O-N 2.88Å; Q351-R353 VanDerWaalsContact C-N 3.32Å; Q351-R353 PolarHBondContact O-N 3.43Å; Q351-S354 WeakPolarHBondContact CA-OG 3.43Å; Q351-S354 PolarHBondContact O-N 3.5Å; Q351-S354 PolarHBondContact O-OG 3.24Å; Q351-A355 PolarHBondContact O-N 3.14Å; Q351-A355 VanDerWaalsContact O-N 3.15Å
352	L	93.1	Very high	95.6	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-60.2	-42.6	178.4	-171.6	66.4	0	0	0	111.3	A312 D316 M349 H356 Y361 Y362	A312-L352 HydrophobicContact CB-CD1 4.28Å; D316-L352 HydrophobicContact CB-CD1 4.05Å; D316-L352 HydrophobicContact CB-CD2 4.42Å; M349-L352 PolarHBondContact O-N 2.74Å; L352-H356 HydrophobicContact CD1-CB 4.11Å; L352-H356 CarbonylContact O-C 3.47Å; L352-H356 VanDerWaalsContact O-CA 3.3Å; L352-H356 WeakPolarHBondContact O-CA 3.5Å; L352-H356 VanDerWaalsContact O-CB 3.31Å; L352-H356 WeakPolarHBondContact O-CB 3.33Å; L352-H356 PolarHBondContact O-N 2.92Å; L352-Y361 HydrophobicContact CD1-CD1 4.37Å; L352-Y361 HydrophobicContact CD1-CE1 4.42Å; L352-Y361 HydrophobicContact CD2-CD1 4.2Å; L352-Y361 HydrophobicContact CD2-CE1 4.02Å; L352-Y362 HydrophobicContact CB-CD2 4.41Å; L352-Y362 HydrophobicContact CD2-CD2 3.96Å; L352-Y362 HydrophobicContact CG-CD2 3.9Å
353	R	94.8	Very high	95.5	Very high	93 Å²	93	63.7 Å²	63.7	35%	0.351	33%	0.327	S	S	.	.	H	α-helix	trans	-59	-55.7	172.2	-175	179.6	-176.5	179.7	-0.1	110.6	M349 Q351 A355 H356 E357 Y362	M349-R353 WeakPolarHBondContact O-CB 3.4Å; M349-R353 PolarHBondContact O-N 3.08Å; Q351-R353 VanDerWaalsContact C-N 3.32Å; Q351-R353 PolarHBondContact O-N 3.43Å; R353-A355 PolarHBondContact O-N 3.37Å; R353-A355 VanDerWaalsContact O-N 3.09Å; R353-H356 PolarHBondContact O-N 3.26Å; R353-E357 HydrophobicContact CG-CB 4.41Å; R353-E357 HydrophobicContact CG-CG 4.31Å; R353-E357 IonicContact CZ-OE1 2.79Å; R353-E357 IonicContact NE-OE1 2.81Å; R353-E357 PolarHBondContact NE-OE1 2.91Å; R353-E357 IonicContact NH2-OE1 2.7Å; R353-E357 PolarHBondContact NH2-OE1 3.02Å; R353-E357 VanDerWaalsContact O-CB 3.26Å; R353-E357 WeakPolarHBondContact O-CB 3.47Å; R353-E357 PolarHBondContact O-N 2.8Å; R353-Y362 HydrophobicContact CB-CE2 3.65Å; R353-Y362 WeakPolarHBondContact CD-OH 3.41Å; R353-Y362 HydrophobicContact CG-CE1 4.39Å; R353-Y362 HydrophobicContact CG-CE2 4.2Å; R353-Y362 WeakPolarHBondContact CG-OH 3.47Å
354	S	94.1	Very high	95.4	Very high	99 Å²	99	58.1 Å²	58.1	69%	0.692	31%	0.309	S	S	*	.	H	α-helix	trans	-57.1	-33	-173	66.9	0	0	0	0	114.7	Q350 Q351	Q350-S354 WeakPolarHBondContact O-CB 3.46Å; Q350-S354 PolarHBondContact O-N 3.18Å; Q350-S354 PolarHBondContact O-OG 3.21Å; Q351-S354 WeakPolarHBondContact CA-OG 3.43Å; Q351-S354 PolarHBondContact O-N 3.5Å; Q351-S354 PolarHBondContact O-OG 3.24Å
355	A	94	Very high	95.2	Very high	69 Å²	69	57.8 Å²	57.8	57%	0.57	31%	0.308	S	S	*	.	H	α-helix	trans	-106	-22.7	-175.5	0	0	0	0	0	114	Q351 R353	Q351-A355 PolarHBondContact O-N 3.14Å; Q351-A355 VanDerWaalsContact O-N 3.15Å; R353-A355 PolarHBondContact O-N 3.37Å; R353-A355 VanDerWaalsContact O-N 3.09Å
356	H	95.2	Very high	95.1	Very high	37 Å²	37	58.8 Å²	58.8	17%	0.171	31%	0.312	C	S	.	.	H	α-helix	trans	-136.9	21.3	-168.5	-54.6	-79.4	0	0	0	114.1	A312 L352 R353 A358 T359 Y362	A312-H356 HydrophobicContact CB-CB 3.72Å; L352-H356 HydrophobicContact CD1-CB 4.11Å; L352-H356 CarbonylContact O-C 3.47Å; L352-H356 VanDerWaalsContact O-CA 3.3Å; L352-H356 WeakPolarHBondContact O-CA 3.5Å; L352-H356 VanDerWaalsContact O-CB 3.31Å; L352-H356 WeakPolarHBondContact O-CB 3.33Å; L352-H356 PolarHBondContact O-N 2.92Å; R353-H356 PolarHBondContact O-N 3.26Å; H356-A358 PolarHBondContact O-N 3.42Å; H356-A358 VanDerWaalsContact O-N 3.13Å; H356-T359 HydrophobicContact CB-CG2 3.96Å; H356-T359 WeakPolarHBondContact O-CB 3.47Å; H356-T359 WeakPolarHBondContact O-CG2 3.47Å; H356-T359 PolarHBondContact O-N 2.97Å; H356-T359 PolarHBondContact O-OG1 3.11Å; H356-Y362 VanDerWaalsContact O-CB 3.31Å; H356-Y362 WeakPolarHBondContact O-CB 3.42Å
357	E	94.5	Very high	94.8	Very high	90 Å²	90	65.5 Å²	65.5	42%	0.421	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.9	-178.9	-170.6	162.3	-135.4	0	0	114.2	R353 T359 Y362 Q363	R353-E357 HydrophobicContact CG-CB 4.41Å; R353-E357 HydrophobicContact CG-CG 4.31Å; R353-E357 IonicContact CZ-OE1 2.79Å; R353-E357 IonicContact NE-OE1 2.81Å; R353-E357 PolarHBondContact NE-OE1 2.91Å; R353-E357 IonicContact NH2-OE1 2.7Å; R353-E357 PolarHBondContact NH2-OE1 3.02Å; R353-E357 VanDerWaalsContact O-CB 3.26Å; R353-E357 WeakPolarHBondContact O-CB 3.47Å; R353-E357 PolarHBondContact O-N 2.8Å; E357-T359 VanDerWaalsContact C-N 3.25Å; E357-T359 PolarHBondContact O-N 3.18Å; E357-Y362 HydrophobicContact CB-CD1 4.41Å; E357-Y362 HydrophobicContact CB-CE1 4.42Å; E357-Y362 HydrophobicContact CG-CD1 4.25Å; E357-Y362 HydrophobicContact CG-CE1 3.91Å; E357-Y362 WeakPolarHBondContact O-CD1 3.43Å; E357-Q363 PolarHBondContact O-NE2 3.38Å
358	A	94.9	Very high	94.6	Very high	99 Å²	99	66.4 Å²	66.4	82%	0.818	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-5.1	-179.1	0	0	0	0	0	114.3	H356	H356-A358 PolarHBondContact O-N 3.42Å; H356-A358 VanDerWaalsContact O-N 3.13Å
359	T	96.4	Very high	94.4	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.043	33%	0.333	C	S	.	.	S	Bend	trans	-82.2	145.9	-177.7	64.1	0	0	0	0	111.9	R308 E309 A312 H356 E357 Y361 Y362 Q363	R308-T359 HydrophobicContact CB-CG2 4.34Å; E309-T359 VanDerWaalsContact OE1-CA 3.26Å; E309-T359 WeakPolarHBondContact OE1-CA 3.5Å; E309-T359 WeakPolarHBondContact OE1-CB 3.46Å; A312-T359 HydrophobicContact CB-CG2 4.05Å; H356-T359 HydrophobicContact CB-CG2 3.96Å; H356-T359 WeakPolarHBondContact O-CB 3.47Å; H356-T359 WeakPolarHBondContact O-CG2 3.47Å; H356-T359 PolarHBondContact O-N 2.97Å; H356-T359 PolarHBondContact O-OG1 3.11Å; E357-T359 VanDerWaalsContact C-N 3.25Å; E357-T359 PolarHBondContact O-N 3.18Å; T359-Y361 PolarHBondContact O-N 3.2Å; T359-Y362 PolarHBondContact O-N 3.38Å; T359-Y362 WeakPolarHBondContact OG1-CB 3.34Å; T359-Y362 PolarHBondContact OG1-N 3.23Å; T359-Q363 WeakPolarHBondContact O-CG 3.16Å; T359-Q363 PolarHBondContact O-N 2.96Å
360	R	95.4	Very high	94.2	Very high	183 Å²	183	69.8 Å²	69.8	69%	0.691	35%	0.353	S	S	*	.	H	α-helix	trans	-61.1	-35.6	172.4	-174.6	-179.9	178.7	-168.8	-1.8	110.4	E309 Y362 Q363 L364	E309-R360 PolarHBondContact OE1-N 3.17Å; E309-R360 PolarHBondContact OE2-N 3.2Å; E309-R360 VanDerWaalsContact OE2-N 3.15Å; R360-Y362 PolarHBondContact O-N 3.1Å; R360-Q363 PolarHBondContact O-N 3.03Å; R360-L364 HydrophobicContact CG-CD1 3.93Å; R360-L364 HydrophobicContact CG-CG 4.17Å; R360-L364 WeakPolarHBondContact O-CB 3.33Å; R360-L364 VanDerWaalsContact O-CG 3.31Å; R360-L364 WeakPolarHBondContact O-CG 3.27Å; R360-L364 PolarHBondContact O-N 2.91Å
361	Y	95	Very high	94.1	Very high	14 Å²	14	65.4 Å²	65.4	6%	0.055	33%	0.333	C	S	.	.	H	α-helix	trans	-55	-49.6	175.3	-175.1	-87.4	0	0	0	112.5	E309 A312 E313 D316 L352 T359 L364 S365	E309-Y361 WeakPolarHBondContact OE2-CB 3.29Å; E309-Y361 PolarHBondContact OE2-N 2.77Å; A312-Y361 HydrophobicContact CB-CD1 4.12Å; A312-Y361 HydrophobicContact CB-CG 4.32Å; E313-Y361 HydrophobicContact CB-CD2 3.89Å; E313-Y361 HydrophobicContact CB-CE2 3.61Å; E313-Y361 HydrophobicContact CG-CD2 4.38Å; E313-Y361 HydrophobicContact CG-CE2 3.69Å; D316-Y361 HydrophobicContact CB-CE1 3.72Å; D316-Y361 WeakPolarHBondContact OD2-CE1 3.37Å; D316-Y361 PolarHBondContact OD2-OH 3.04Å; L352-Y361 HydrophobicContact CD1-CD1 4.37Å; L352-Y361 HydrophobicContact CD1-CE1 4.42Å; L352-Y361 HydrophobicContact CD2-CD1 4.2Å; L352-Y361 HydrophobicContact CD2-CE1 4.02Å; T359-Y361 PolarHBondContact O-N 3.2Å; Y361-L364 PolarHBondContact O-N 2.78Å; Y361-S365 WeakPolarHBondContact O-CB 3.15Å; Y361-S365 PolarHBondContact O-N 3.12Å; Y361-S365 PolarHBondContact O-OG 2.74Å
362	Y	96.7	Very high	94.1	Very high	12 Å²	12	60.2 Å²	60.2	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-46.9	176.5	173.2	-104.5	0	0	0	111.5	M349 L352 R353 H356 E357 T359 R360 L364 S365 L366	M349-Y362 HydrophobicContact CB-CE2 4.32Å; L352-Y362 HydrophobicContact CB-CD2 4.41Å; L352-Y362 HydrophobicContact CD2-CD2 3.96Å; L352-Y362 HydrophobicContact CG-CD2 3.9Å; R353-Y362 HydrophobicContact CB-CE2 3.65Å; R353-Y362 WeakPolarHBondContact CD-OH 3.41Å; R353-Y362 HydrophobicContact CG-CE1 4.39Å; R353-Y362 HydrophobicContact CG-CE2 4.2Å; R353-Y362 WeakPolarHBondContact CG-OH 3.47Å; H356-Y362 VanDerWaalsContact O-CB 3.31Å; H356-Y362 WeakPolarHBondContact O-CB 3.42Å; E357-Y362 HydrophobicContact CB-CD1 4.41Å; E357-Y362 HydrophobicContact CB-CE1 4.42Å; E357-Y362 HydrophobicContact CG-CD1 4.25Å; E357-Y362 HydrophobicContact CG-CE1 3.91Å; E357-Y362 WeakPolarHBondContact O-CD1 3.43Å; T359-Y362 PolarHBondContact O-N 3.38Å; T359-Y362 WeakPolarHBondContact OG1-CB 3.34Å; T359-Y362 PolarHBondContact OG1-N 3.23Å; R360-Y362 PolarHBondContact O-N 3.1Å; Y362-L364 VanDerWaalsContact C-N 3.33Å; Y362-L364 PolarHBondContact O-N 3.27Å; Y362-S365 WeakPolarHBondContact O-CB 3.27Å; Y362-S365 PolarHBondContact O-N 3.49Å; Y362-S365 VanDerWaalsContact O-N 3.12Å; Y362-L366 HydrophobicContact CE1-CD2 4.49Å; Y362-L366 PolarHBondContact O-N 3.35Å
363	Q	96.7	Very high	93.9	Very high	96 Å²	96	60.7 Å²	60.7	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-40.8	180	-62.5	-60.5	-27.6	0	0	112.2	E357 T359 R360 R367	E357-Q363 PolarHBondContact O-NE2 3.38Å; T359-Q363 WeakPolarHBondContact O-CG 3.16Å; T359-Q363 PolarHBondContact O-N 2.96Å; R360-Q363 PolarHBondContact O-N 3.03Å; Q363-R367 VanDerWaalsContact O-CB 3.28Å; Q363-R367 WeakPolarHBondContact O-CB 3.42Å; Q363-R367 PolarHBondContact O-N 2.68Å
364	L	95.2	Very high	93.2	Very high	55 Å²	55	59.6 Å²	59.6	29%	0.288	31%	0.311	S	S	.	.	H	α-helix	trans	-66.8	-38.3	174.8	-71.4	174.8	0	0	0	112.2	R111 R360 Y361 Y362 R367 G368	R111-L364 VanDerWaalsContact NH1-CD1 3.28Å; R360-L364 HydrophobicContact CG-CD1 3.93Å; R360-L364 HydrophobicContact CG-CG 4.17Å; R360-L364 WeakPolarHBondContact O-CB 3.33Å; R360-L364 VanDerWaalsContact O-CG 3.31Å; R360-L364 WeakPolarHBondContact O-CG 3.27Å; R360-L364 PolarHBondContact O-N 2.91Å; Y361-L364 PolarHBondContact O-N 2.78Å; Y362-L364 VanDerWaalsContact C-N 3.33Å; Y362-L364 PolarHBondContact O-N 3.27Å; L364-R367 PolarHBondContact O-N 3.39Å; L364-G368 PolarHBondContact O-N 2.86Å
365	S	95.5	Very high	92	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.014	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-46.9	176.3	-61.5	0	0	0	0	111.8	R111 R114 Y361 Y362 G368 C369	R111-S365 WeakPolarHBondContact CB-OG 3.43Å; R114-S365 PolarHBondContact NH1-OG 2.84Å; Y361-S365 WeakPolarHBondContact O-CB 3.15Å; Y361-S365 PolarHBondContact O-N 3.12Å; Y361-S365 PolarHBondContact O-OG 2.74Å; Y362-S365 WeakPolarHBondContact O-CB 3.27Å; Y362-S365 PolarHBondContact O-N 3.49Å; Y362-S365 VanDerWaalsContact O-N 3.12Å; S365-G368 PolarHBondContact O-N 3.3Å; S365-C369 PolarHBondContact O-N 3.06Å; S365-C369 VanDerWaalsContact O-N 3.14Å
366	L	94.6	Very high	90.3	Very high	50 Å²	50	59.7 Å²	59.7	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-63.3	-45.9	176.7	-177	64.1	0	0	0	111.5	M349 Y362 G368 C369 R370	M349-L366 HydrophobicContact CE-CD1 3.87Å; Y362-L366 HydrophobicContact CE1-CD2 4.49Å; Y362-L366 PolarHBondContact O-N 3.35Å; L366-G368 VanDerWaalsContact C-N 3.34Å; L366-G368 PolarHBondContact O-N 2.64Å; L366-C369 PolarHBondContact O-N 2.89Å; L366-R370 WeakPolarHBondContact O-CB 3.27Å; L366-R370 PolarHBondContact O-N 3.45Å
367	R	93.6	Very high	88.3	Confident	141 Å²	141	62.1 Å²	62.1	53%	0.532	33%	0.33	S	S	.	.	H	α-helix	trans	-59.4	-44.4	176.8	-177.7	179.1	177.6	-175.6	-0.2	111.7	Q363 L364 R370 L371	Q363-R367 VanDerWaalsContact O-CB 3.28Å; Q363-R367 WeakPolarHBondContact O-CB 3.42Å; Q363-R367 PolarHBondContact O-N 2.68Å; L364-R367 PolarHBondContact O-N 3.39Å; R367-R370 PolarHBondContact O-N 2.63Å; R367-L371 HydrophobicContact CG-CD1 3.9Å; R367-L371 HydrophobicContact CG-CG 4.31Å; R367-L371 WeakPolarHBondContact O-CG 3.33Å; R367-L371 PolarHBondContact O-N 2.92Å
368	G	92	Very high	86.2	Confident	24 Å²	24	62.3 Å²	62.3	25%	0.247	33%	0.329	C	S	.	.	H	α-helix	trans	-58.5	-49.9	178.2	0	0	0	0	0	112.2	L364 S365 L366 R370 L371 S372	L364-G368 PolarHBondContact O-N 2.86Å; S365-G368 PolarHBondContact O-N 3.3Å; L366-G368 VanDerWaalsContact C-N 3.34Å; L366-G368 PolarHBondContact O-N 2.64Å; G368-R370 VanDerWaalsContact C-N 3.32Å; G368-R370 PolarHBondContact O-N 2.98Å; G368-L371 PolarHBondContact O-N 3.11Å; G368-S372 PolarHBondContact O-N 2.84Å; G368-S372 PolarHBondContact O-OG 3.06Å
369	C	92.3	Very high	83.5	Confident	10 Å²	10	62.9 Å²	62.9	7%	0.068	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-37.8	176.2	-69.4	0	0	0	0	112.4	S365 L366 S372 L373	S365-C369 PolarHBondContact O-N 3.06Å; S365-C369 VanDerWaalsContact O-N 3.14Å; L366-C369 PolarHBondContact O-N 2.89Å; C369-S372 PolarHBondContact O-OG 2.76Å; C369-L373 VanDerWaalsContact O-CG 3.24Å; C369-L373 WeakPolarHBondContact O-CG 3.46Å; C369-L373 PolarHBondContact O-N 2.83Å
370	R	92	Very high	80.9	Confident	129 Å²	129	66.7 Å²	66.7	49%	0.487	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-47.2	178.1	-170.5	179.4	71.3	174.5	1	111.5	L366 R367 G368 L373 Q374	L366-R370 WeakPolarHBondContact O-CB 3.27Å; L366-R370 PolarHBondContact O-N 3.45Å; R367-R370 PolarHBondContact O-N 2.63Å; G368-R370 VanDerWaalsContact C-N 3.32Å; G368-R370 PolarHBondContact O-N 2.98Å; R370-L373 PolarHBondContact O-N 3.45Å; R370-Q374 WeakPolarHBondContact O-CG 3.35Å; R370-Q374 PolarHBondContact O-N 3.03Å
371	L	90.6	Very high	78.6	Confident	47 Å²	47	60.6 Å²	60.6	25%	0.246	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-39.1	-179.2	-70.9	174.4	0	0	0	111.9	R367 G368 L373 Q374	R367-L371 HydrophobicContact CG-CD1 3.9Å; R367-L371 HydrophobicContact CG-CG 4.31Å; R367-L371 WeakPolarHBondContact O-CG 3.33Å; R367-L371 PolarHBondContact O-N 2.92Å; G368-L371 PolarHBondContact O-N 3.11Å; L371-L373 PolarHBondContact O-N 2.84Å; L371-Q374 PolarHBondContact O-N 3.26Å
372	S	90	Very high	75.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-66.7	-20.8	178.5	70	0	0	0	0	113.5	T115 R153 G368 C369	T115-S372 VanDerWaalsContact CG2-CB 3.41Å; T115-S372 VanDerWaalsContact CG2-OG 3.24Å; T115-S372 WeakPolarHBondContact CG2-OG 3.25Å; R153-S372 VanDerWaalsContact CD-O 3.3Å; R153-S372 WeakPolarHBondContact CD-O 3.47Å; R153-S372 VanDerWaalsContact CG-O 3.24Å; R153-S372 WeakPolarHBondContact CG-O 3.47Å; G368-S372 PolarHBondContact O-N 2.84Å; G368-S372 PolarHBondContact O-OG 3.06Å; C369-S372 PolarHBondContact O-OG 2.76Å
373	L	87.7	Confident	73.2	Confident	17 Å²	17	68.8 Å²	68.8	9%	0.089	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-4.7	-179.4	-63.8	-177.6	0	0	0	113.8	L118 Q119 C369 R370 L371 V375 P381	L118-L373 HydrophobicContact CD2-CD1 4.17Å; Q119-L373 HydrophobicContact CG-CD2 4.11Å; C369-L373 VanDerWaalsContact O-CG 3.24Å; C369-L373 WeakPolarHBondContact O-CG 3.46Å; C369-L373 PolarHBondContact O-N 2.83Å; R370-L373 PolarHBondContact O-N 3.45Å; L371-L373 PolarHBondContact O-N 2.84Å; L373-V375 PolarHBondContact O-N 3.18Å; L373-P381 HydrophobicContact CB-CG 4.14Å
374	Q	79.9	Confident	70.8	Confident	71 Å²	71	72.5 Å²	72.5	33%	0.332	41%	0.409	S	S	.	.			trans	-69.7	127.2	174.4	-79.3	174.2	11.4	0	0	109.5	R153 R370 L371	R153-Q374 PolarHBondContact NH1-O 3.23Å; R370-Q374 WeakPolarHBondContact O-CG 3.35Å; R370-Q374 PolarHBondContact O-N 3.03Å; L371-Q374 PolarHBondContact O-N 3.26Å
375	V	69	Low	68	Low	33 Å²	33	72.4 Å²	72.4	20%	0.2	42%	0.417	C	S	.	.			trans	-109.2	126.1	173.1	-175.6	0	0	0	0	106.8	D68 L373 G377 K378	D68-V375 HydrophobicContact CB-CG1 4.38Å; D68-V375 HydrophobicContact CB-CG2 3.99Å; L373-V375 PolarHBondContact O-N 3.18Å; V375-G377 PolarHBondContact O-N 3.46Å; V375-K378 HydrophobicContact CB-CB 4.33Å; V375-K378 HydrophobicContact CB-CD 4.46Å; V375-K378 PolarHBondContact O-N 2.92Å
376	D	59.8	Low	65.2	Low	137 Å²	137	79.2 Å²	79.2	73%	0.733	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	123.3	178.9	-77.2	-28.2	0	0	0	110.3	R149 K378	R149-D376 IonicContact NH1-OD2 2.93Å; D376-K378 PolarHBondContact O-N 3.13Å
377	G	52.4	Low	62.4	Low	88 Å²	88	83.2 Å²	83.2	91%	0.907	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-5.2	178.3	0	0	0	0	0	116.9	V375	V375-G377 PolarHBondContact O-N 3.46Å
378	K	51	Low	59.6	Low	94 Å²	94	85.2 Å²	85.2	41%	0.409	50%	0.495	S	S	.	.	S	Bend	trans	-100.5	139.5	168.9	-75.1	-175.6	178.1	177.6	0	110	D66 E69 V375 D376	D66-K378 IonicContact OD2-NZ 2.93Å; D66-K378 PolarHBondContact OD2-NZ 3.29Å; E69-K378 IonicContact OE1-NZ 2.7Å; E69-K378 PolarHBondContact OE1-NZ 2.85Å; V375-K378 HydrophobicContact CB-CB 4.33Å; V375-K378 HydrophobicContact CB-CD 4.46Å; V375-K378 PolarHBondContact O-N 2.92Å; D376-K378 PolarHBondContact O-N 3.13Å
379	P	37.1	Very low	56.8	Low	110 Å²	110	92 Å²	92	71%	0.714	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-56.4	147.6	170.2	24.3	-31.6	0	0	0	109.4
380	P	42.5	Very low	53.7	Low	88 Å²	88	94.7 Å²	94.7	57%	0.571	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-51.8	129.7	-178.9	20.7	-31.4	0	0	0	109.2
381	P	46.3	Very low	51	Low	55 Å²	55	94.7 Å²	94.7	36%	0.357	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-57.1	143.1	178.4	22.4	-31.2	0	0	0	108.6	L373 V383	L373-P381 HydrophobicContact CB-CG 4.14Å; P381-V383 VanDerWaalsContact C-N 3.34Å; P381-V383 PolarHBondContact O-N 3.45Å
382	P	35.9	Very low	48.2	Very low	131 Å²	131	98.6 Å²	98.6	85%	0.851	60%	0.6	S	S	*	*			trans	-61	102.1	176.8	24.2	-30.9	0	0	0	107.9
383	V	43.7	Very low	45.1	Very low	66 Å²	66	108.3 Å²	108.3	40%	0.4	64%	0.638	S	S	.	*			trans	-67.1	136.5	163.9	-177	0	0	0	0	104.9	P381 A385	P381-V383 VanDerWaalsContact C-N 3.34Å; P381-V383 PolarHBondContact O-N 3.45Å; V383-A385 PolarHBondContact O-N 3.26Å
384	I	45.2	Very low	42.3	Very low	174 Å²	174	115 Å²	115	89%	0.892	66%	0.663	S	S	*	*	S	Bend	trans	-61.2	87.6	170.8	-58.8	173.1	0	0	0	107.7
385	A	36.3	Very low	39.6	Very low	53 Å²	53	121 Å²	121	44%	0.438	68%	0.683	S	S	.	*			trans	-168.2	113.9	164	0	0	0	0	0	107.8	V383	V383-A385 PolarHBondContact O-N 3.26Å
386	N	37.4	Very low	37.7	Very low	146 Å²	146	128.1 Å²	128.1	78%	0.781	72%	0.719	S	S	*	*			trans	-54.8	153.2	166	-68.9	-27.4	0	0	0	111
387	T	35.6	Very low	36.1	Very low	134 Å²	134	126.1 Å²	126.1	82%	0.822	72%	0.721	S	S	*	*			trans	81.3	109	164.3	57.6	0	0	0	0	119.4
388	E	35.2	Very low	35	Very low	182 Å²	182	130.8 Å²	130.8	85%	0.85	72%	0.719	S	S	*	*			trans	-7	127.3	146.4	-57.1	-177.3	154.5	0	0	118.2
389	D	32.8	Very low	34	Very low	167 Å²	167	135.9 Å²	135.9	89%	0.893	75%	0.745	S	S	*	*				-177	153	114.4	-99.3	-31.5	0	0	0	112.6
390	G	27.1	Very low	33.7	Very low	67 Å²	67	139.1 Å²	139.1	69%	0.691	75%	0.75	S	S	*	*			trans	-72.3	-175.6	-164.6	0	0	0	0	0	118.6
391	P	36.2	Very low	33.2	Very low	128 Å²	128	142.7 Å²	142.7	83%	0.831	77%	0.765	S	S	*	*			trans	-92.9	159.9	-157.4	36.7	-33.6	0	0	0	113.8
392	P	31.8	Very low	32.3	Very low	129 Å²	129	147 Å²	147	84%	0.838	79%	0.79	S	S	*	*				-139.5	153.9	126.5	28.3	-9.7	0	0	0	115.9
393	Y	24.6	Very low	32	Very low	204 Å²	204	145.1 Å²	145.1	80%	0.8	79%	0.786	S	S	*	*			trans	-66.9	143.4	175.2	-149.9	-98.8	0	0	0	112.1
394	Y	28.3	Very low	31.3	Very low	158 Å²	158	145.9 Å²	145.9	62%	0.62	81%	0.807	S	S	*	*				164.7	131.9	127.9	-106.1	-96.3	0	0	0	114.9
395	R	23	Very low	30.6	Very low	198 Å²	198	146.4 Å²	146.4	75%	0.747	81%	0.81	S	S	*	*			trans	23.9	123.6	138.6	-144.2	176.1	-73.1	163.7	-3.4	119.6	A397	R395-A397 PolarHBondContact O-N 2.99Å
396	L	28.8	Very low	30.2	Very low	182 Å²	182	147.6 Å²	147.6	95%	0.953	83%	0.828	S	S	*	*			trans	-54.8	118.3	163.9	-67.8	159.9	0	0	0	109.2
397	A	26.1	Very low	29.6	Very low	95 Å²	95	144.3 Å²	144.3	79%	0.785	83%	0.829	S	S	*	*			trans	-112	140.2	164.9	0	0	0	0	0	107.8	R395	R395-A397 PolarHBondContact O-N 2.99Å
398	E	30	Very low	29.1	Very low	185 Å²	185	144.9 Å²	144.9	86%	0.864	83%	0.832	S	S	*	*			trans	-53.4	141.7	-172.9	-65.7	154.7	153.9	0	0	112.3	E400	E398-E400 PolarHBondContact O-N 2.85Å
399	E	30.3	Very low	28.8	Very low	202 Å²	202	141.3 Å²	141.3	94%	0.944	83%	0.833	S	S	*	*			trans	-72.2	101	163.9	-72.5	-179	157.5	0	0	107.3
400	E	30.6	Very low	28.5	Very low	177 Å²	177	137 Å²	137	83%	0.827	83%	0.828	S	S	*	*			trans	-74.6	119.5	166.3	-89.9	-172.3	149.2	0	0	109.8	E398 T402	E398-E400 PolarHBondContact O-N 2.85Å; E400-T402 PolarHBondContact O-N 3.42Å
401	D	31.5	Very low	28.4	Very low	163 Å²	163	140 Å²	140	87%	0.872	84%	0.839	S	S	*	*			trans	-58.5	110.6	165.1	-84.4	-40.1	0	0	0	110.9	A403	D401-A403 PolarHBondContact O-N 3.01Å
402	T	27.6	Very low	27.8	Very low	145 Å²	145	137.1 Å²	137.1	89%	0.89	83%	0.832	S	S	*	*			trans	-86.4	85.1	162.8	52.6	0	0	0	0	110	E400	E400-T402 PolarHBondContact O-N 3.42Å
403	A	30.3	Very low	27.6	Very low	93 Å²	93	136.7 Å²	136.7	77%	0.769	83%	0.829	S	S	*	*			trans	-114.4	92.7	158.2	0	0	0	0	0	108.8	D401	D401-A403 PolarHBondContact O-N 3.01Å
404	G	28.2	Very low	27.5	Very low	81 Å²	81	136.9 Å²	136.9	84%	0.835	84%	0.835	S	S	*	*			trans	-69.6	135.7	173.2	0	0	0	0	0	112
405	L	31	Very low	27.3	Very low	185 Å²	185	139 Å²	139	97%	0.969	85%	0.847	S	S	*	*			trans	-58.7	140.5	-178.8	-70.4	151.2	0	0	0	114.3
406	G	27	Very low	27.3	Very low	79 Å²	79	140.1 Å²	140.1	81%	0.814	85%	0.852	S	S	*	*			trans	-171.8	80.8	164.7	0	0	0	0	0	110.6
407	G	25.2	Very low	27.2	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	85%	0.85	S	S	*	*			trans	-77.8	136.7	-178.4	0	0	0	0	0	113.4
408	V	26	Very low	27.2	Very low	146 Å²	146	144.4 Å²	144.4	89%	0.885	85%	0.851	S	S	*	*			trans	-143.2	125.2	147.2	-179.1	0	0	0	0	107.7
409	A	28.5	Very low	27.1	Very low	106 Å²	106	145.3 Å²	145.3	88%	0.876	85%	0.852	S	S	*	*			trans	-63.5	133.2	179.6	0	0	0	0	0	112.1
410	G	25.5	Very low	27.1	Very low	76 Å²	76	139.3 Å²	139.3	78%	0.784	84%	0.837	S	S	*	*			trans	-157.3	109.5	172.5	0	0	0	0	0	110.5
411	S	26.6	Very low	27.1	Very low	131 Å²	131	134.7 Å²	134.7	92%	0.916	82%	0.822	S	S	*	*			trans	-60.9	131.1	179.1	45.9	0	0	0	0	114.4
412	G	24.1	Very low	27.1	Very low	68 Å²	68	129 Å²	129	70%	0.701	80%	0.802	S	S	*	*			trans	-179.4	150.2	170	0	0	0	0	0	111.8
413	P	27.2	Very low	27.5	Very low	119 Å²	119	125.9 Å²	125.9	77%	0.773	78%	0.778	S	S	*	*			trans	-84.5	146.6	-134.6	31.9	-35.1	0	0	0	116	F415	P413-F415 PolarHBondContact O-N 3.4Å
414	F	22.2	Very low	27.7	Very low	209 Å²	209	126.6 Å²	126.6	92%	0.917	77%	0.765	S	S	*	*			trans	-46.2	114.8	166	-102.5	-106.4	0	0	0	112.3
415	F	23.7	Very low	27.9	Very low	201 Å²	201	130.1 Å²	130.1	88%	0.882	75%	0.754	S	S	*	*			trans	-100.6	113	155.5	-103	-91.5	0	0	0	108.3	P413 E417	P413-F415 PolarHBondContact O-N 3.4Å; F415-E417 PolarHBondContact O-N 2.71Å
416	R	23.8	Very low	28	Very low	223 Å²	223	122.1 Å²	122.1	84%	0.842	71%	0.714	S	S	*	*			trans	-79.8	108.6	175.6	-163.7	-178.8	-169.9	-174	2.9	107.2	E418	R416-E418 PolarHBondContact O-N 2.7Å; R416-E418 VanDerWaalsContact O-N 3.12Å
417	E	26.1	Very low	28.7	Very low	194 Å²	194	119.5 Å²	119.5	91%	0.907	68%	0.681	S	S	*	*			trans	-69.4	105.1	176.4	-156.1	171.4	-157.8	0	0	108.9	F415 K419	F415-E417 PolarHBondContact O-N 2.71Å; E417-K419 PolarHBondContact O-N 2.96Å
418	E	25.8	Very low	29.2	Very low	173 Å²	173	119.5 Å²	119.5	81%	0.808	66%	0.663	S	S	*	*			trans	-69.2	116.8	173.5	-76.3	-171.3	152.8	0	0	109.2	R416 A420	R416-E418 PolarHBondContact O-N 2.7Å; R416-E418 VanDerWaalsContact O-N 3.12Å; E418-A420 PolarHBondContact O-N 3.44Å
419	K	27.5	Very low	29.7	Very low	203 Å²	203	117.1 Å²	117.1	88%	0.883	64%	0.642	S	S	*	*			trans	-51.2	107.2	164.5	-77	-177.5	174	-176.9	0	108.7	E417 P421	E417-K419 PolarHBondContact O-N 2.96Å; K419-P421 WeakPolarHBondContact O-CD 3.39Å; K419-P421 VanDerWaalsContact O-N 3.07Å
420	A	30.1	Very low	30.1	Very low	77 Å²	77	114.5 Å²	114.5	64%	0.636	61%	0.613	S	S	*	*			trans	-61.1	107.1	-174	0	0	0	0	0	111.6	E418 G422	E418-A420 PolarHBondContact O-N 3.44Å; A420-G422 PolarHBondContact O-N 3.08Å
421	P	30.6	Very low	30.4	Very low	79 Å²	79	115.6 Å²	115.6	51%	0.513	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	5.3	179.6	30.1	-31.7	0	0	0	113.2	K419 R425	K419-P421 WeakPolarHBondContact O-CD 3.39Å; K419-P421 VanDerWaalsContact O-N 3.07Å; P421-R425 WeakPolarHBondContact O-CG 3.46Å; P421-R425 PolarHBondContact O-NE 3.02Å
422	G	31.6	Very low	30.6	Very low	43 Å²	43	114 Å²	114	44%	0.443	58%	0.582	S	S	.	*	H	α-helix	trans	-78.7	-29	178.6	0	0	0	0	0	114.2	A420 R425 A426	A420-G422 PolarHBondContact O-N 3.08Å; G422-R425 PolarHBondContact O-N 3.42Å; G422-A426 WeakPolarHBondContact O-CB 3.32Å; G422-A426 PolarHBondContact O-N 3.45Å
423	M	36.8	Very low	31.1	Very low	80 Å²	80	112.3 Å²	112.3	39%	0.394	56%	0.557	S	S	.	*	H	α-helix	trans	-71.6	-44.6	-176.4	-169.7	166	79.2	0	0	111.8	F105 W212 R425 A426 I427	F105-M423 HydrophobicContact CD2-CE 3.82Å; F105-M423 HydrophobicContact CD2-SD 3.6Å; F105-M423 HydrophobicContact CE2-CE 3.82Å; F105-M423 HydrophobicContact CE2-SD 3.8Å; W212-M423 HydrophobicContact CZ3-CG 4.44Å; M423-R425 VanDerWaalsContact C-N 3.34Å; M423-R425 PolarHBondContact O-N 3.13Å; M423-A426 PolarHBondContact O-N 3.15Å; M423-I427 HydrophobicContact CG-CD1 4.05Å; M423-I427 WeakPolarHBondContact O-CD1 3.26Å; M423-I427 VanDerWaalsContact O-CG1 3.25Å; M423-I427 WeakPolarHBondContact O-CG1 3.17Å; M423-I427 PolarHBondContact O-N 3.11Å
424	Q	34	Very low	31.3	Very low	108 Å²	108	110.1 Å²	110.1	51%	0.505	55%	0.545	S	S	.	.	H	α-helix	trans	-62.5	-41.4	175.1	-166.8	61.2	49.1	0	0	111.3	A426 I427 D428	Q424-A426 VanDerWaalsContact C-N 3.33Å; Q424-A426 PolarHBondContact O-N 3.45Å; Q424-I427 PolarHBondContact O-N 2.95Å; Q424-D428 PolarHBondContact NE2-OD1 2.81Å; Q424-D428 WeakPolarHBondContact O-CB 3.11Å; Q424-D428 PolarHBondContact O-N 2.9Å
425	R	32.1	Very low	31.7	Very low	156 Å²	156	104.7 Å²	104.7	59%	0.589	53%	0.525	S	S	*	.	H	α-helix	trans	-64.1	-35	174.8	-69.7	-176.5	-141.4	166.1	3.1	113.3	P421 G422 M423 Q429	P421-R425 WeakPolarHBondContact O-CG 3.46Å; P421-R425 PolarHBondContact O-NE 3.02Å; G422-R425 PolarHBondContact O-N 3.42Å; M423-R425 VanDerWaalsContact C-N 3.34Å; M423-R425 PolarHBondContact O-N 3.13Å; R425-Q429 WeakPolarHBondContact O-CB 3.19Å; R425-Q429 WeakPolarHBondContact O-CG 3.35Å; R425-Q429 PolarHBondContact O-N 3.44Å; R425-Q429 VanDerWaalsContact O-N 3.12Å
426	A	33.3	Very low	31.9	Very low	17 Å²	17	99.6 Å²	99.6	14%	0.14	50%	0.504	C	S	.	.	H	α-helix	trans	-69.7	-38.1	176.4	0	0	0	0	0	111.2	W212 R280 G422 M423 Q424 Q429 L430	W212-A426 HydrophobicContact CH2-CB 4.14Å; R280-A426 PolarHBondContact NH2-O 3.49Å; G422-A426 WeakPolarHBondContact O-CB 3.32Å; G422-A426 PolarHBondContact O-N 3.45Å; M423-A426 PolarHBondContact O-N 3.15Å; Q424-A426 VanDerWaalsContact C-N 3.33Å; Q424-A426 PolarHBondContact O-N 3.45Å; A426-Q429 PolarHBondContact O-N 3.21Å; A426-L430 VanDerWaalsContact O-CG 3.31Å; A426-L430 WeakPolarHBondContact O-CG 3.33Å; A426-L430 PolarHBondContact O-N 3.12Å; A426-L430 VanDerWaalsContact O-N 3.11Å
427	I	42.3	Very low	32.6	Very low	24 Å²	24	91.6 Å²	91.6	12%	0.123	48%	0.476	C	S	.	.	H	α-helix	trans	-65.5	-50.1	174.9	-68.1	163.7	0	0	0	110.7	F105 M423 Q424 Q429 L430 D431	F105-I427 HydrophobicContact CE2-CD1 4.47Å; F105-I427 HydrophobicContact CZ-CD1 4.48Å; M423-I427 HydrophobicContact CG-CD1 4.05Å; M423-I427 WeakPolarHBondContact O-CD1 3.26Å; M423-I427 VanDerWaalsContact O-CG1 3.25Å; M423-I427 WeakPolarHBondContact O-CG1 3.17Å; M423-I427 PolarHBondContact O-N 3.11Å; Q424-I427 PolarHBondContact O-N 2.95Å; I427-Q429 PolarHBondContact O-N 2.73Å; I427-L430 WeakPolarHBondContact O-CB 3.48Å; I427-L430 PolarHBondContact O-N 3.47Å; I427-D431 PolarHBondContact O-N 3.17Å
428	D	34.5	Very low	32.9	Very low	77 Å²	77	84.3 Å²	84.3	41%	0.412	45%	0.449	S	S	.	.	H	α-helix	trans	-60.6	-31	178.2	-57.7	-20.6	0	0	0	111.3	Q424 D432	Q424-D428 PolarHBondContact NE2-OD1 2.81Å; Q424-D428 WeakPolarHBondContact O-CB 3.11Å; Q424-D428 PolarHBondContact O-N 2.9Å; D428-D432 WeakPolarHBondContact O-CB 3.24Å; D428-D432 PolarHBondContact O-N 3.24Å; D428-D432 VanDerWaalsContact O-N 3.08Å
429	Q	38.4	Very low	32.9	Very low	95 Å²	95	85.6 Å²	85.6	44%	0.444	45%	0.446	S	S	.	.	H	α-helix	trans	-76.6	-24.2	173.5	-74.9	174.1	16.4	0	0	114.3	R425 A426 I427 L433	R425-Q429 WeakPolarHBondContact O-CB 3.19Å; R425-Q429 WeakPolarHBondContact O-CG 3.35Å; R425-Q429 PolarHBondContact O-N 3.44Å; R425-Q429 VanDerWaalsContact O-N 3.12Å; A426-Q429 PolarHBondContact O-N 3.21Å; I427-Q429 PolarHBondContact O-N 2.73Å; Q429-L433 VanDerWaalsContact O-CB 3.28Å; Q429-L433 WeakPolarHBondContact O-CB 3.21Å; Q429-L433 VanDerWaalsContact O-CD1 3.26Å; Q429-L433 WeakPolarHBondContact O-CD1 3.43Å; Q429-L433 WeakPolarHBondContact O-CG 3.34Å; Q429-L433 PolarHBondContact O-N 2.82Å
430	L	35.4	Very low	33.1	Very low	51 Å²	51	85 Å²	85	27%	0.267	44%	0.439	S	S	.	.	H	α-helix	trans	-69.7	-40.7	173.3	-69.8	169	0	0	0	110.9	F180 A426 I427 S434	F180-L430 HydrophobicContact CE1-CD2 4.41Å; F180-L430 HydrophobicContact CE2-CD1 4.49Å; F180-L430 HydrophobicContact CE2-CD2 3.29Å; F180-L430 HydrophobicContact CZ-CD2 3.18Å; A426-L430 VanDerWaalsContact O-CG 3.31Å; A426-L430 WeakPolarHBondContact O-CG 3.33Å; A426-L430 PolarHBondContact O-N 3.12Å; A426-L430 VanDerWaalsContact O-N 3.11Å; I427-L430 WeakPolarHBondContact O-CB 3.48Å; I427-L430 PolarHBondContact O-N 3.47Å; L430-S434 PolarHBondContact O-N 3.44Å; L430-S434 VanDerWaalsContact O-N 3.13Å; L430-S434 PolarHBondContact O-OG 2.88Å; L430-S434 VanDerWaalsContact O-OG 3.05Å
431	D	33.4	Very low	33.1	Very low	100 Å²	100	84.4 Å²	84.4	54%	0.535	44%	0.44	S	S	.	.	H	α-helix	trans	-67.4	-40.7	173.6	-71.4	-18.5	0	0	0	111.2	I427 S434 L435	I427-D431 PolarHBondContact O-N 3.17Å; D431-S434 PolarHBondContact O-OG 3.36Å; D431-L435 WeakPolarHBondContact O-CB 3.32Å; D431-L435 WeakPolarHBondContact O-CD1 3.41Å; D431-L435 VanDerWaalsContact O-CG 3.27Å; D431-L435 WeakPolarHBondContact O-CG 3.21Å; D431-L435 PolarHBondContact O-N 2.9Å; D431-L435 VanDerWaalsContact O-N 3.16Å
432	D	29.2	Very low	33.1	Very low	96 Å²	96	83.5 Å²	83.5	51%	0.513	43%	0.43	S	S	.	.	H	α-helix	trans	-71.2	-31.9	177.1	-95.6	-11.4	0	0	0	113.9	D428 L435 Q436	D428-D432 WeakPolarHBondContact O-CB 3.24Å; D428-D432 PolarHBondContact O-N 3.24Å; D428-D432 VanDerWaalsContact O-N 3.08Å; D432-L435 CarbonylContact O-C 3.45Å; D432-L435 PolarHBondContact O-N 3Å; D432-Q436 VanDerWaalsContact O-CB 3.24Å; D432-Q436 WeakPolarHBondContact O-CB 3.16Å; D432-Q436 WeakPolarHBondContact O-CG 3.39Å; D432-Q436 PolarHBondContact O-N 3.28Å
433	L	34.5	Very low	32.8	Very low	33 Å²	33	93.2 Å²	93.2	17%	0.173	45%	0.454	C	S	.	.	H	α-helix	trans	-75.6	-38.6	177.9	-75.4	163	0	0	0	112.1	N218 Q429 L435 Q436 E437	N218-L433 WeakPolarHBondContact OD1-CD1 3.47Å; Q429-L433 VanDerWaalsContact O-CB 3.28Å; Q429-L433 WeakPolarHBondContact O-CB 3.21Å; Q429-L433 VanDerWaalsContact O-CD1 3.26Å; Q429-L433 WeakPolarHBondContact O-CD1 3.43Å; Q429-L433 WeakPolarHBondContact O-CG 3.34Å; Q429-L433 PolarHBondContact O-N 2.82Å; L433-L435 PolarHBondContact O-N 3.42Å; L433-Q436 PolarHBondContact O-N 3.44Å; L433-E437 VanDerWaalsContact O-CB 3.26Å; L433-E437 WeakPolarHBondContact O-CB 3.31Å; L433-E437 WeakPolarHBondContact O-CG 3.16Å; L433-E437 PolarHBondContact O-N 3.24Å
434	S	32	Very low	32.1	Very low	73 Å²	73	94.9 Å²	94.9	51%	0.51	47%	0.473	S	S	.	.	H	α-helix	trans	-62.5	-33	171.5	58.1	0	0	0	0	111.6	L430 D431	L430-S434 PolarHBondContact O-N 3.44Å; L430-S434 VanDerWaalsContact O-N 3.13Å; L430-S434 PolarHBondContact O-OG 2.88Å; L430-S434 VanDerWaalsContact O-OG 3.05Å; D431-S434 PolarHBondContact O-OG 3.36Å
435	L	30.5	Very low	31.8	Very low	95 Å²	95	97.5 Å²	97.5	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-79.1	-35.5	173.3	-72.5	167.6	0	0	0	114.5	D431 D432 L433 R439	D431-L435 WeakPolarHBondContact O-CB 3.32Å; D431-L435 WeakPolarHBondContact O-CD1 3.41Å; D431-L435 VanDerWaalsContact O-CG 3.27Å; D431-L435 WeakPolarHBondContact O-CG 3.21Å; D431-L435 PolarHBondContact O-N 2.9Å; D431-L435 VanDerWaalsContact O-N 3.16Å; D432-L435 CarbonylContact O-C 3.45Å; D432-L435 PolarHBondContact O-N 3Å; L433-L435 PolarHBondContact O-N 3.42Å; L435-R439 WeakPolarHBondContact O-CG 3.44Å
436	Q	28.7	Very low	31.6	Very low	95 Å²	95	96.5 Å²	96.5	44%	0.444	50%	0.502	S	S	.	.	H	α-helix	trans	-80	-31.3	179.7	-84.5	-158.7	8.1	0	0	113.3	D432 L433 A438 R439 R440	D432-Q436 VanDerWaalsContact O-CB 3.24Å; D432-Q436 WeakPolarHBondContact O-CB 3.16Å; D432-Q436 WeakPolarHBondContact O-CG 3.39Å; D432-Q436 PolarHBondContact O-N 3.28Å; L433-Q436 PolarHBondContact O-N 3.44Å; Q436-A438 VanDerWaalsContact C-N 3.26Å; Q436-R439 CarbonylContact O-C 3.53Å; Q436-R439 WeakPolarHBondContact O-CA 3.35Å; Q436-R439 WeakPolarHBondContact O-CB 3.48Å; Q436-R439 PolarHBondContact O-N 3.28Å; Q436-R440 PolarHBondContact O-N 3.16Å
437	E	37.9	Very low	31.2	Very low	54 Å²	54	107.4 Å²	107.4	25%	0.252	54%	0.54	S	S	.	.	H	α-helix	trans	-71.8	-28.4	175.4	-71.3	169.9	167.2	0	0	111.5	R179 L433 R439	R179-E437 IonicContact CZ-OE1 3.46Å; R179-E437 IonicContact CZ-OE2 3.01Å; R179-E437 IonicContact NE-OE1 3.8Å; R179-E437 IonicContact NH1-OE1 2.79Å; R179-E437 PolarHBondContact NH1-OE1 3.41Å; R179-E437 IonicContact NH1-OE2 3.55Å; R179-E437 PolarHBondContact NH1-OE2 3.49Å; R179-E437 IonicContact NH2-OE1 3.25Å; R179-E437 PolarHBondContact NH2-OE1 3.49Å; R179-E437 IonicContact NH2-OE2 2.83Å; R179-E437 PolarHBondContact NH2-OE2 3Å; L433-E437 VanDerWaalsContact O-CB 3.26Å; L433-E437 WeakPolarHBondContact O-CB 3.31Å; L433-E437 WeakPolarHBondContact O-CG 3.16Å; L433-E437 PolarHBondContact O-N 3.24Å; E437-R439 PolarHBondContact O-N 3.19Å
438	A	32	Very low	30.4	Very low	42 Å²	42	110.1 Å²	110.1	35%	0.347	57%	0.566	S	S	.	*	H	α-helix	trans	-61.9	-26.1	164	0	0	0	0	0	112.2	Q436 F502	Q436-A438 VanDerWaalsContact C-N 3.26Å; A438-F502 HydrophobicContact CB-CZ 4.27Å; A438-F502 WeakPolarHBondContact O-CE2 3.26Å; A438-F502 WeakPolarHBondContact O-CZ 3.42Å
439	R	26.9	Very low	30	Very low	200 Å²	200	113.7 Å²	113.7	76%	0.755	59%	0.585	S	S	*	*	H	α-helix	trans	-93	-25.8	179.6	-66.4	176.9	177.3	-160.4	0.7	114.3	L435 Q436 E437	L435-R439 WeakPolarHBondContact O-CG 3.44Å; Q436-R439 CarbonylContact O-C 3.53Å; Q436-R439 WeakPolarHBondContact O-CA 3.35Å; Q436-R439 WeakPolarHBondContact O-CB 3.48Å; Q436-R439 PolarHBondContact O-N 3.28Å; E437-R439 PolarHBondContact O-N 3.19Å
440	R	30.3	Very low	29.4	Very low	190 Å²	190	117.5 Å²	117.5	72%	0.717	61%	0.605	S	S	*	*	H	α-helix	trans	-89.3	-4.7	-176.5	-81.8	-174.9	-179.7	-113	2.7	115.3	Q436 L442	Q436-R440 PolarHBondContact O-N 3.16Å; R440-L442 PolarHBondContact O-N 3.45Å
441	G	29.9	Very low	29	Very low	64 Å²	64	122.1 Å²	122.1	66%	0.66	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	0.3	169.6	0	0	0	0	0	114.7
442	L	31.4	Very low	28.5	Very low	61 Å²	61	121.9 Å²	121.9	32%	0.319	64%	0.641	S	S	.	*	S	Bend	trans	-95.9	142.1	170.1	-109.7	64.5	0	0	0	108.4	R440 N501	R440-L442 PolarHBondContact O-N 3.45Å; L442-N501 HydrophobicContact CD1-CB 3.35Å; L442-N501 WeakPolarHBondContact CD1-O 3.35Å; L442-N501 HydrophobicContact CD2-CB 4.32Å; L442-N501 HydrophobicContact CG-CB 3.92Å
443	W	24.9	Very low	28.4	Very low	246 Å²	246	123.4 Å²	123.4	93%	0.932	65%	0.649	S	S	*	*			trans	86	81.7	174.1	-45.7	91.6	0	0	0	116.3
444	S	23.5	Very low	28	Very low	115 Å²	115	128.6 Å²	128.6	80%	0.804	67%	0.674	S	S	*	*			trans	-162	87.7	139.3	165.4	0	0	0	0	107.7
445	D	26.5	Very low	27.7	Very low	164 Å²	164	132.5 Å²	132.5	88%	0.877	69%	0.689	S	S	*	*			trans	-117.4	116.9	161.7	-128.2	-6.1	0	0	0	108.1
446	T	27.9	Very low	27.3	Very low	134 Å²	134	132 Å²	132	82%	0.822	70%	0.698	S	S	*	*			trans	-66.1	125	172.4	21.7	0	0	0	0	110.2
447	R	24.5	Very low	28.1	Very low	246 Å²	246	132.4 Å²	132.4	93%	0.928	71%	0.709	S	S	*	*			trans	-141.7	122.9	151.4	-137.8	176.9	-178.7	178.1	-0.3	110.6
448	A	26.7	Very low	27.5	Very low	82 Å²	82	136.4 Å²	136.4	68%	0.678	73%	0.732	S	S	*	*			trans	-65.3	135.9	164.5	0	0	0	0	0	109.4
449	D	26	Very low	27.1	Very low	151 Å²	151	142.7 Å²	142.7	81%	0.807	75%	0.751	S	S	*	*				-174.6	134.4	124.8	-91.5	-28.4	0	0	0	111.9
450	M	25.2	Very low	27.1	Very low	175 Å²	175	139 Å²	139	86%	0.862	75%	0.751	S	S	*	*			trans	25	123.2	151.5	-55.1	-177.2	96.8	0	0	120
451	V	26.3	Very low	26.8	Very low	149 Å²	149	133.9 Å²	133.9	90%	0.903	75%	0.749	S	S	*	*				-153.3	137.3	123.1	173.6	0	0	0	0	110.4
452	S	24.5	Very low	26.6	Very low	95 Å²	95	138.5 Å²	138.5	66%	0.664	76%	0.758	S	S	*	*			trans	-71.8	148.6	176.8	-151.1	0	0	0	0	113.9
453	D	26.4	Very low	26.3	Very low	128 Å²	128	140.2 Å²	140.2	68%	0.684	78%	0.781	S	S	*	*			trans	51.4	116.1	135.5	-97.4	-6.5	0	0	0	121.7
454	M	25.1	Very low	26.2	Very low	142 Å²	142	131.7 Å²	131.7	70%	0.7	77%	0.77	S	S	*	*				149.1	130.7	102.9	-85.6	-92.1	171.8	0	0	114.9
455	L	26.3	Very low	26.3	Very low	155 Å²	155	135.7 Å²	135.7	81%	0.812	78%	0.776	S	S	*	*			trans	71.4	113.6	143.4	-69.3	159.2	0	0	0	121.1
456	A	23.4	Very low	26.3	Very low	84 Å²	84	139.3 Å²	139.3	69%	0.694	78%	0.777	S	S	*	*			trans	-79.5	-164	154.3	0	0	0	0	0	110.5
457	P	44.1	Very low	26.1	Very low	104 Å²	104	139.4 Å²	139.4	68%	0.675	78%	0.777	S	S	*	*			cis	-137.7	-164	-20.4	23.6	2	0	0	0	112.5
458	L	24.8	Very low	26.2	Very low	138 Å²	138	132.6 Å²	132.6	72%	0.723	77%	0.767	S	S	*	*			trans	100.1	144.2	153.4	-53.7	163.3	0	0	0	115
459	K	25.4	Very low	26.1	Very low	173 Å²	173	136.3 Å²	136.3	75%	0.752	78%	0.775	S	S	*	*			cis	-175.6	154.5	-12.9	-119.1	-175.6	-170.1	173.8	0	106.9
460	V	25.8	Very low	26.1	Very low	124 Å²	124	134.2 Å²	134.2	75%	0.752	77%	0.773	S	S	*	*			trans	79.3	108	140.7	178.9	0	0	0	0	120.6
461	A	25.2	Very low	26.1	Very low	82 Å²	82	128.6 Å²	128.6	68%	0.678	76%	0.76	S	S	*	*				58.6	136.7	120.7	0	0	0	0	0	124.4
462	N	24.3	Very low	26.2	Very low	161 Å²	161	127.8 Å²	127.8	86%	0.861	76%	0.758	S	S	*	*			trans	109.7	121.9	130.1	-96.3	2.5	0	0	0	120.4
463	A	25.8	Very low	26.3	Very low	97 Å²	97	132 Å²	132	80%	0.802	77%	0.767	S	S	*	*			trans	73.6	116.7	137.7	0	0	0	0	0	120.5
464	G	23.2	Very low	26.3	Very low	67 Å²	67	131.6 Å²	131.6	69%	0.691	77%	0.771	S	S	*	*				116.9	127	117.4	0	0	0	0	0	117.7
465	H	25.8	Very low	26.3	Very low	199 Å²	199	133.2 Å²	133.2	92%	0.921	78%	0.781	S	S	*	*			trans	93.9	121.9	152.1	-74	61.3	0	0	0	120.2
466	R	25.8	Very low	26.1	Very low	239 Å²	239	133.7 Å²	133.7	90%	0.902	78%	0.783	S	S	*	*			trans	-48.4	149.4	163.4	-66.6	170.4	168.9	175.6	-4.6	111.3
467	V	24.6	Very low	26.1	Very low	136 Å²	136	133.4 Å²	133.4	82%	0.824	78%	0.781	S	S	*	*				-170.9	145.9	127.4	148.7	0	0	0	0	109
468	S	25	Very low	25.1	Very low	104 Å²	104	136.9 Å²	136.9	73%	0.727	79%	0.786	S	S	*	*			trans	-38.3	131.7	177.7	48.2	0	0	0	0	117.1
469	D	24.8	Very low	25.1	Very low	159 Å²	159	142.3 Å²	142.3	85%	0.85	80%	0.799	S	S	*	*			trans	-98.1	105.8	163.3	-163.1	11.2	0	0	0	109.2	G471	D469-G471 PolarHBondContact O-N 2.98Å
470	S	25.5	Very low	25	Very low	107 Å²	107	137 Å²	137	75%	0.748	79%	0.792	S	S	*	*			trans	-83.7	93.9	167	52.7	0	0	0	0	108.1
471	G	25.2	Very low	24.9	Very low	58 Å²	58	136.7 Å²	136.7	60%	0.598	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69	138.3	169.3	0	0	0	0	0	111	D469	D469-G471 PolarHBondContact O-N 2.98Å
472	P	29.2	Very low	25	Very low	131 Å²	131	144 Å²	144	85%	0.851	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-74.3	133.6	171.7	28.7	-29.8	0	0	0	110.8
473	E	26.8	Very low	25	Very low	184 Å²	184	143.7 Å²	143.7	86%	0.86	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-57	143.5	178.9	-62.1	179.3	144.8	0	0	113.6
474	P	26.4	Very low	25	Very low	120 Å²	120	145.6 Å²	145.6	78%	0.779	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-84.7	132.8	166.9	31.1	-29.1	0	0	0	111.7	L476	P474-L476 PolarHBondContact O-N 3.4Å
475	I	24.8	Very low	25.1	Very low	175 Å²	175	146 Å²	146	90%	0.897	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-61	119.7	178.9	-67.4	166.6	0	0	0	110.9
476	L	22.5	Very low	25.1	Very low	165 Å²	165	148.5 Å²	148.5	86%	0.864	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-87.1	156.7	168.8	-90.7	153.9	0	0	0	111.6	P474	P474-L476 PolarHBondContact O-N 3.4Å
477	A	22.4	Very low	25.2	Very low	78 Å²	78	145.9 Å²	145.9	65%	0.645	81%	0.809	S	S	*	*			trans	94.2	117.8	165.3	0	0	0	0	0	117.6
478	F	24.3	Very low	25.3	Very low	177 Å²	177	149.7 Å²	149.7	78%	0.776	81%	0.814	S	S	*	*				-175.7	125.3	85.5	-108.1	-87.2	0	0	0	112.3
479	Y	23.6	Very low	25.3	Very low	253 Å²	253	149.5 Å²	149.5	99%	0.992	82%	0.819	S	S	*	*				-147.6	119	129.1	-90.6	-73.1	0	0	0	108.8
480	G	23.3	Very low	25.3	Very low	60 Å²	60	154.1 Å²	154.1	62%	0.619	82%	0.824	S	S	*	*			trans	-157.7	134.3	171.4	0	0	0	0	0	107.9
481	S	24.2	Very low	25.4	Very low	119 Å²	119	158.5 Å²	158.5	83%	0.832	83%	0.83	S	S	*	*			trans	-73.8	140.7	-167.8	-59.8	0	0	0	0	115.3
482	R	26.6	Very low	25.6	Very low	236 Å²	236	161.4 Å²	161.4	89%	0.891	84%	0.838	S	S	*	*			trans	54.7	114.4	148.1	-62.6	-172.8	-163.7	-147.9	4.4	121
483	L	25.6	Very low	25.4	Very low	154 Å²	154	161.2 Å²	161.2	81%	0.806	84%	0.837	S	S	*	*				161.6	140.4	105.2	-94.1	165.7	0	0	0	112.4
484	T	25.9	Very low	25.3	Very low	136 Å²	136	158.3 Å²	158.3	83%	0.834	84%	0.837	S	S	*	*			trans	66.7	120.2	159.5	60.9	0	0	0	0	121.4
485	G	24.4	Very low	25.3	Very low	76 Å²	76	156.4 Å²	156.4	78%	0.784	84%	0.839	S	S	*	*				100.3	111.1	121.1	0	0	0	0	0	120.2
486	R	26.6	Very low	25.2	Very low	252 Å²	252	153.8 Å²	153.8	95%	0.951	84%	0.836	S	S	*	*			trans	90.9	121.3	148.4	-76.3	-177.2	170.2	176.4	-1.8	120.8
487	H	27	Very low	25.2	Very low	184 Å²	184	155.9 Å²	155.9	85%	0.852	84%	0.838	S	S	*	*			trans	-42.9	145	165.8	-66.1	-84.7	0	0	0	116.3
488	K	27	Very low	25.4	Very low	215 Å²	215	157.2 Å²	157.2	94%	0.935	84%	0.843	S	S	*	*				-161.6	136.9	124.3	-106.3	169.9	-173.4	-178.6	0	111.5
489	A	24.8	Very low	25.4	Very low	101 Å²	101	156.7 Å²	156.7	84%	0.835	85%	0.848	S	S	*	*			trans	-81.1	149.8	-177.3	0	0	0	0	0	113
490	R	25.5	Very low	25.6	Very low	256 Å²	256	148.8 Å²	148.8	97%	0.966	83%	0.83	S	S	*	*			trans	-156.6	143.7	150	-132.7	170.2	168.9	163.8	-4.3	112.9
491	K	27.8	Very low	25.7	Very low	198 Å²	198	151 Å²	151	86%	0.861	83%	0.828	S	S	*	*			trans	-72.8	162.1	-168.9	-78.8	177.5	175	-179.9	0	114.7
492	P	27.8	Very low	26	Very low	120 Å²	120	150.5 Å²	150.5	78%	0.779	81%	0.811	S	S	*	*			trans	-92.2	165.6	-173.5	38.1	-33.6	0	0	0	112.7
493	P	26.2	Very low	26	Very low	126 Å²	126	143.8 Å²	143.8	82%	0.818	80%	0.801	S	S	*	*			trans	-104.6	137.1	154.7	26.1	-10.4	0	0	0	112.4
494	S	24.6	Very low	26.2	Very low	123 Å²	123	143.2 Å²	143.2	86%	0.86	80%	0.798	S	S	*	*			trans	-62.6	157.4	169.7	48.8	0	0	0	0	114.8
495	G	26	Very low	26.4	Very low	80 Å²	80	141.5 Å²	141.5	83%	0.825	78%	0.783	S	S	*	*			trans	133	76	148.9	0	0	0	0	0	115.3
496	S	22.5	Very low	26.9	Very low	120 Å²	120	140.9 Å²	140.9	84%	0.839	76%	0.761	S	S	*	*			trans	-75.4	134.2	165.7	53	0	0	0	0	111.3
497	K	23.5	Very low	27	Very low	209 Å²	209	139.1 Å²	139.1	91%	0.909	76%	0.755	S	S	*	*			trans	-122.7	121	144.7	-79.6	-172.1	176.5	-177.6	0	107.9
498	S	25.3	Very low	27	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	73%	0.734	S	S	*	*			trans	-77.5	136.8	177.3	49.5	0	0	0	0	110
499	D	24.8	Very low	27	Very low	166 Å²	166	129.3 Å²	129.3	89%	0.888	73%	0.727	S	S	*	*			trans	-138.9	136.5	158.2	-84.8	-41.1	0	0	0	111.1
500	S	28.8	Very low	27.1	Very low	88 Å²	88	133.6 Å²	133.6	62%	0.615	73%	0.73	S	S	*	*			trans	-77.9	144.9	-175.4	48.4	0	0	0	0	112.7
501	N	25.2	Very low	27.1	Very low	107 Å²	107	126 Å²	126	57%	0.572	72%	0.722	S	S	*	*				171.7	115.9	127	-83.4	-17.7	0	0	0	111	L442	L442-N501 HydrophobicContact CD1-CB 3.35Å; L442-N501 WeakPolarHBondContact CD1-O 3.35Å; L442-N501 HydrophobicContact CD2-CB 4.32Å; L442-N501 HydrophobicContact CG-CB 3.92Å
502	F	29.2	Very low	26.8	Very low	107 Å²	107	122.1 Å²	122.1	47%	0.469	72%	0.72	S	S	.	*			trans	-148.1	88.3	160	-114	-81.6	0	0	0	108.2	Y47 A438	Y47-F502 WeakPolarHBondContact OH-CB 3.42Å; A438-F502 HydrophobicContact CB-CZ 4.27Å; A438-F502 WeakPolarHBondContact O-CE2 3.26Å; A438-F502 WeakPolarHBondContact O-CZ 3.42Å
503	S	27.9	Very low	27	Very low	96 Å²	96	122 Å²	122	67%	0.671	72%	0.719	S	S	*	*			trans	-110.5	85.3	168.4	52	0	0	0	0	106.9
504	N	28.6	Very low	27	Very low	141 Å²	141	125.3 Å²	125.3	75%	0.754	72%	0.724	S	S	*	*			trans	-168.6	14.7	160.3	-90.1	-23.3	0	0	0	114.4
505	L	30.8	Very low	27.2	Very low	101 Å²	101	127.5 Å²	127.5	53%	0.529	73%	0.726	S	S	.	*	S	Bend	trans	-83.6	133.7	156.2	-94	101.2	0	0	0	109	R507	L505-R507 PolarHBondContact O-N 2.97Å; L505-R507 VanDerWaalsContact O-N 3.1Å
506	I	34.7	Very low	27.1	Very low	62 Å²	62	128.8 Å²	128.8	32%	0.318	73%	0.729	S	S	.	*			trans	-39.7	112.2	-178.9	-61	176.7	0	0	0	110.7	V168 V171 L508	V168-I506 HydrophobicContact CB-CD1 4.27Å; V168-I506 HydrophobicContact CG1-CD1 3.8Å; V168-I506 HydrophobicContact CG1-CG2 4.15Å; V171-I506 HydrophobicContact CG2-CD1 4.5Å; V171-I506 HydrophobicContact CG2-CG2 4.29Å; I506-L508 HydrophobicContact CG2-CD2 4.33Å; I506-L508 PolarHBondContact O-N 3.12Å
507	R	28.7	Very low	27.3	Very low	216 Å²	216	126.8 Å²	126.8	82%	0.815	73%	0.727	S	S	*	*			trans	-76	105.3	165.7	-79.7	-174.6	167	-175.9	-3.1	107.6	L505	L505-R507 PolarHBondContact O-N 2.97Å; L505-R507 VanDerWaalsContact O-N 3.1Å
508	L	27.3	Very low	27.3	Very low	79 Å²	79	122.2 Å²	122.2	41%	0.414	72%	0.721	S	S	.	*	P	Polyproline II helix	trans	-66.1	138.4	163.6	-66.3	170.3	0	0	0	109	E167 I506	E167-L508 HydrophobicContact CB-CD2 3.74Å; I506-L508 HydrophobicContact CG2-CD2 4.33Å; I506-L508 PolarHBondContact O-N 3.12Å
509	S	26.8	Very low	27.2	Very low	114 Å²	114	122.9 Å²	122.9	80%	0.797	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-47.1	145.7	-162.7	52.4	0	0	0	0	117.9
510	Q	26.2	Very low	27.2	Very low	191 Å²	191	127 Å²	127	89%	0.893	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-98	130.5	145.9	-77.4	-171	-29.5	0	0	108.6
511	A	25.9	Very low	27	Very low	97 Å²	97	126 Å²	126	80%	0.802	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-72	140.7	162.8	0	0	0	0	0	109.3
512	S	23.1	Very low	27	Very low	116 Å²	116	126.7 Å²	126.7	81%	0.811	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-72.9	136.5	169.5	-75.3	0	0	0	0	110
513	P	30.8	Very low	26.8	Very low	118 Å²	118	124.5 Å²	124.5	77%	0.766	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-77.4	134.8	170.6	22.6	-16.6	0	0	0	110.8
514	E	27.1	Very low	26.7	Very low	194 Å²	194	130.7 Å²	130.7	91%	0.907	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-66.3	125.5	159.7	-62	-176.5	153.2	0	0	108.8
515	D	27.3	Very low	26.6	Very low	170 Å²	170	130.4 Å²	130.4	91%	0.909	76%	0.755	S	S	*	*			trans	-88.2	109.7	166.7	-96.2	-30.7	0	0	0	109.2
516	A	25.6	Very low	26.4	Very low	107 Å²	107	134.2 Å²	134.2	88%	0.884	77%	0.77	S	S	*	*			trans	-89	116.4	159.1	0	0	0	0	0	108.7
517	G	25.6	Very low	26	Very low	77 Å²	77	134.4 Å²	134.4	79%	0.794	79%	0.787	S	S	*	*			trans	-165.6	79.9	177.8	0	0	0	0	0	112.8
518	S	23.7	Very low	26	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	79%	0.794	S	S	*	*			trans	-55	135.3	170.7	153.8	0	0	0	0	112.8
519	C	23.5	Very low	25.9	Very low	121 Å²	121	133.5 Å²	133.5	82%	0.818	81%	0.809	S	S	*	*			trans	-167.6	118.3	132.2	-96.1	0	0	0	0	113.3
520	R	24.5	Very low	25.9	Very low	252 Å²	252	138.8 Å²	138.8	95%	0.951	81%	0.812	S	S	*	*			trans	16.8	134	144.8	-75.8	177.6	172.3	-128.1	-1.9	120.6
521	G	24	Very low	25.9	Very low	67 Å²	67	137.4 Å²	137.4	69%	0.691	81%	0.805	S	S	*	*			trans	153.5	110	135.6	0	0	0	0	0	115.5
522	S	26.4	Very low	25.9	Very low	122 Å²	122	139.5 Å²	139.5	85%	0.853	81%	0.808	S	S	*	*			trans	42	122.4	142.7	54.1	0	0	0	0	118.7
523	G	23.3	Very low	26	Very low	61 Å²	61	138.9 Å²	138.9	63%	0.629	80%	0.804	S	S	*	*			cis	123.9	153.2	45.9	0	0	0	0	0	108.9
524	W	26	Very low	25.8	Very low	225 Å²	225	140.2 Å²	140.2	85%	0.852	81%	0.81	S	S	*	*			trans	76.7	141.8	166.9	-48.4	90.9	0	0	0	116.1
525	E	27.5	Very low	25.9	Very low	135 Å²	135	139.5 Å²	139.5	63%	0.631	81%	0.807	S	S	*	*			cis	-172.4	136.9	-14.7	-126.9	178.6	-172.8	0	0	104.2
526	E	27.3	Very low	27.1	Very low	182 Å²	182	136.2 Å²	136.2	85%	0.85	80%	0.795	S	S	*	*				68.2	143.8	117.7	-90.1	-172.1	176.7	0	0	121.4
527	G	25.7	Very low	27.1	Very low	65 Å²	65	136.1 Å²	136.1	67%	0.67	79%	0.787	S	S	*	*			trans	116.2	91.2	158.7	0	0	0	0	0	114.7
528	E	28.2	Very low	27.3	Very low	205 Å²	205	139.2 Å²	139.2	96%	0.958	79%	0.791	S	S	*	*				55.6	133.1	89	-66	-167.4	148.6	0	0	114.3
529	G	25.9	Very low	27.7	Very low	72 Å²	72	140.2 Å²	140.2	74%	0.742	79%	0.786	S	S	*	*			cis	172.7	-176.6	6.6	0	0	0	0	0	111.6
530	R	26.4	Very low	28.3	Very low	224 Å²	224	140.6 Å²	140.6	85%	0.845	79%	0.787	S	S	*	*			trans	77	108.9	164.8	-75.3	-179.5	166.9	176.9	-1.1	119.5
531	E	25.2	Very low	28.6	Very low	163 Å²	163	137 Å²	137	76%	0.762	78%	0.781	S	S	*	*				69.9	119	82.7	-72.5	-179.5	169.3	0	0	112.6
532	T	26.3	Very low	28.8	Very low	140 Å²	140	144.7 Å²	144.7	86%	0.859	79%	0.789	S	S	*	*				-170.3	145.9	82.6	29.9	0	0	0	0	112.9
533	S	26.3	Very low	28.9	Very low	103 Å²	103	146 Å²	146	72%	0.72	79%	0.786	S	S	*	*			trans	-76.3	153.7	173.8	51.1	0	0	0	0	114.4
534	T	26.1	Very low	29	Very low	146 Å²	146	146.2 Å²	146.2	90%	0.896	79%	0.789	S	S	*	*			trans	-169.4	125.6	130.6	6.4	0	0	0	0	113.2
535	E	29	Very low	29.1	Very low	179 Å²	179	143.7 Å²	143.7	84%	0.836	79%	0.792	S	S	*	*			trans	-123.4	-178.3	155.8	-122	-167.6	-159.5	0	0	105.3
536	P	51.8	Low	29.1	Very low	102 Å²	102	140.6 Å²	140.6	66%	0.662	80%	0.796	S	S	*	*			cis	-138	-169.6	-6.2	29.7	-5.3	0	0	0	113
537	S	26.8	Very low	29.5	Very low	104 Å²	104	138.5 Å²	138.5	73%	0.727	80%	0.799	S	S	*	*				165.2	120.7	126.3	-71.9	0	0	0	0	117.1
538	V	29.1	Very low	29.5	Very low	142 Å²	142	140.5 Å²	140.5	86%	0.861	80%	0.802	S	S	*	*				82.6	132.9	124.4	-174.5	0	0	0	0	123.1
539	I	31.6	Very low	29.6	Very low	135 Å²	135	137.7 Å²	137.7	69%	0.692	79%	0.792	S	S	*	*			trans	-87.1	169	-178.2	-52.8	162.4	0	0	0	111.7
540	P	37.8	Very low	29.7	Very low	128 Å²	128	142.3 Å²	142.3	83%	0.831	79%	0.792	S	S	*	*				-139.4	152	109.1	33.3	-17.7	0	0	0	116
541	Q	30	Very low	29.7	Very low	176 Å²	176	138.4 Å²	138.4	82%	0.822	79%	0.788	S	S	*	*			trans	-75	163.6	175.6	-65.1	175.9	-54.1	0	0	113.4
542	R	27.2	Very low	29.8	Very low	229 Å²	229	142.5 Å²	142.5	86%	0.864	80%	0.796	S	S	*	*				-165.6	126.1	129	-109.1	-174.3	178.3	-175.7	0.6	113.2
543	D	28.7	Very low	29.7	Very low	149 Å²	149	141.9 Å²	141.9	80%	0.797	79%	0.793	S	S	*	*			trans	25.9	142.5	141.1	-43.5	-32.5	0	0	0	120.2
544	G	26.7	Very low	29.7	Very low	67 Å²	67	145.8 Å²	145.8	69%	0.691	80%	0.802	S	S	*	*			cis	166	176	15	0	0	0	0	0	109.5
545	D	28.1	Very low	29.6	Very low	171 Å²	171	146.2 Å²	146.2	91%	0.914	80%	0.798	S	S	*	*			trans	92.2	107.6	167.2	-60	-21.3	0	0	0	120.5
546	G	26.8	Very low	29.5	Very low	70 Å²	70	144.1 Å²	144.1	72%	0.722	80%	0.798	S	S	*	*			trans	-85.4	179	152.6	0	0	0	0	0	111.6
547	P	35.1	Very low	28.3	Very low	138 Å²	138	148.3 Å²	148.3	90%	0.896	81%	0.809	S	S	*	*				-143.6	169.2	71.2	35	-15.6	0	0	0	116.3
548	S	26.7	Very low	28.2	Very low	107 Å²	107	154.9 Å²	154.9	75%	0.748	82%	0.818	S	S	*	*			trans	-77.1	150.5	172.7	172.1	0	0	0	0	112.7
549	I	30.5	Very low	28.1	Very low	146 Å²	146	153.7 Å²	153.7	75%	0.749	82%	0.816	S	S	*	*				178.7	120.6	128.1	-91.7	163.2	0	0	0	112.8
550	K	27.6	Very low	27.9	Very low	169 Å²	169	150 Å²	150	74%	0.735	81%	0.811	S	S	*	*			trans	68.4	123.2	138.5	-66.1	-178.1	-176.2	-176.2	0	124.6
551	D	26.1	Very low	27.5	Very low	142 Å²	142	149.8 Å²	149.8	76%	0.759	81%	0.809	S	S	*	*			trans	67.1	104	131.3	-59	-22.6	0	0	0	120.4
552	R	26.7	Very low	27.5	Very low	249 Å²	249	150.8 Å²	150.8	94%	0.94	81%	0.814	S	S	*	*				-159.7	116.1	124.8	-110.6	170.9	175.4	-177.6	-1.8	111.9
553	T	25.3	Very low	27.5	Very low	128 Å²	128	147.9 Å²	147.9	79%	0.785	82%	0.815	S	S	*	*			trans	-60.5	134.9	166.4	33.1	0	0	0	0	111.8
554	M	26.8	Very low	27.7	Very low	185 Å²	185	149 Å²	149	91%	0.911	81%	0.813	S	S	*	*			trans	-153.9	112.6	141.4	-85.5	-143.7	166.6	0	0	109.1	T556	M554-T556 PolarHBondContact O-N 3.49Å
555	D	24.4	Very low	28	Very low	154 Å²	154	150.6 Å²	150.6	82%	0.824	81%	0.806	S	S	*	*			trans	-60.6	127	173.3	-65.2	-54.3	0	0	0	110.7
556	T	26.4	Very low	28.1	Very low	135 Å²	135	147.7 Å²	147.7	83%	0.828	80%	0.796	S	S	*	*			trans	-123.7	87.2	159.8	14.1	0	0	0	0	107.2	M554 R558	M554-T556 PolarHBondContact O-N 3.49Å; T556-R558 PolarHBondContact O-N 2.91Å
557	E	25.3	Very low	28.2	Very low	191 Å²	191	147.2 Å²	147.2	89%	0.893	79%	0.791	S	S	*	*			trans	-63.7	102.7	163.8	-75.6	-171.3	149.2	0	0	108.5	S559	E557-S559 PolarHBondContact O-N 3.27Å
558	R	25.5	Very low	27.9	Very low	241 Å²	241	145.3 Å²	145.3	91%	0.909	78%	0.781	S	S	*	*			trans	-75.3	102.1	160	-86.7	-179.4	172.2	-177.1	-1.4	107.7	T556 G560	T556-R558 PolarHBondContact O-N 2.91Å; R558-G560 PolarHBondContact O-N 2.88Å
559	S	26.5	Very low	28	Very low	118 Å²	118	144.8 Å²	144.8	83%	0.825	78%	0.776	S	S	*	*			trans	-64.2	111.9	162	49.1	0	0	0	0	109.2	E557	E557-S559 PolarHBondContact O-N 3.27Å
560	G	28.7	Very low	28	Very low	57 Å²	57	142.7 Å²	142.7	59%	0.588	77%	0.772	S	S	*	*			trans	-68	170.7	172.1	0	0	0	0	0	112.5	R558 E562	R558-G560 PolarHBondContact O-N 2.88Å; G560-E562 PolarHBondContact O-N 3.3Å
561	P	29.5	Very low	28	Very low	123 Å²	123	138.6 Å²	138.6	80%	0.799	78%	0.778	S	S	*	*			trans	-67.3	123.5	-180	27.9	-31.4	0	0	0	110	L563	P561-L563 PolarHBondContact O-N 3.25Å
562	E	29.1	Very low	28.1	Very low	198 Å²	198	139.9 Å²	139.9	93%	0.925	78%	0.78	S	S	*	*			trans	-59.6	109.6	169.8	-74.3	-177.4	152	0	0	109.1	G560 F564	G560-E562 PolarHBondContact O-N 3.3Å; E562-F564 PolarHBondContact O-N 3.23Å
563	L	27	Very low	28.3	Very low	168 Å²	168	138.6 Å²	138.6	88%	0.88	78%	0.775	S	S	*	*			trans	-68	116	166.3	-92.1	124.6	0	0	0	108	P561 D565	P561-L563 PolarHBondContact O-N 3.25Å; L563-D565 PolarHBondContact O-N 3.25Å
564	F	34.1	Very low	28.4	Very low	172 Å²	172	140.3 Å²	140.3	75%	0.754	78%	0.778	S	S	*	*			trans	-60.8	117.3	167.7	-178.5	-98.7	0	0	0	109.4	E562 P566	E562-F564 PolarHBondContact O-N 3.23Å; F564-P566 VanDerWaalsContact O-CD 3.3Å; F564-P566 WeakPolarHBondContact O-CD 3.18Å
565	D	31.8	Very low	28.4	Very low	101 Å²	101	138.9 Å²	138.9	54%	0.54	77%	0.774	S	S	.	*			trans	-74.8	112.8	174.3	-179.6	6	0	0	0	109.9	L563 G567	L563-D565 PolarHBondContact O-N 3.25Å; D565-G567 PolarHBondContact O-N 3.01Å; D565-G567 VanDerWaalsContact O-N 3.11Å; D565-G567 PolarHBondContact OD1-N 3.39Å
566	P	30.3	Very low	28.7	Very low	110 Å²	110	139.3 Å²	139.3	71%	0.714	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-7.5	179.3	-14.7	29.9	0	0	0	114	F564	F564-P566 VanDerWaalsContact O-CD 3.3Å; F564-P566 WeakPolarHBondContact O-CD 3.18Å
567	G	28.4	Very low	29	Very low	59 Å²	59	137.3 Å²	137.3	61%	0.608	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-4.6	-176.9	0	0	0	0	0	116.2	D565 C569	D565-G567 PolarHBondContact O-N 3.01Å; D565-G567 VanDerWaalsContact O-N 3.11Å; D565-G567 PolarHBondContact OD1-N 3.39Å; G567-C569 VanDerWaalsContact C-N 3.33Å; G567-C569 PolarHBondContact O-N 3.35Å
568	S	30.4	Very low	29.2	Very low	99 Å²	99	136.6 Å²	136.6	69%	0.692	76%	0.757	S	S	*	*			trans	-87.1	8.1	-174.6	-68.3	0	0	0	0	115.3
569	C	27.3	Very low	29.7	Very low	95 Å²	95	135 Å²	135	64%	0.642	75%	0.751	S	S	*	*	S	Bend	trans	-85.3	130.3	170	-74.4	0	0	0	0	110.1	G567 G571	G567-C569 VanDerWaalsContact C-N 3.33Å; G567-C569 PolarHBondContact O-N 3.35Å; C569-G571 PolarHBondContact O-N 3.33Å
570	P	30.9	Very low	29.8	Very low	103 Å²	103	134.1 Å²	134.1	67%	0.669	75%	0.746	S	S	*	*			trans	-57.8	114.9	174.8	-19.8	30.8	0	0	0	110.3	E572	P570-E572 PolarHBondContact O-N 2.95Å
571	G	27.6	Very low	29.9	Very low	83 Å²	83	140 Å²	140	86%	0.856	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	30.3	-170.8	0	0	0	0	0	116.8	C569	C569-G571 PolarHBondContact O-N 3.33Å
572	E	28.8	Very low	29.9	Very low	169 Å²	169	143 Å²	143	79%	0.79	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	5	-178	-73.2	-169.2	157.1	0	0	115.1	P570	P570-E572 PolarHBondContact O-N 2.95Å
573	W	30.4	Very low	29.8	Very low	221 Å²	221	137.3 Å²	137.3	84%	0.837	76%	0.76	S	S	*	*	S	Bend	trans	-105.4	15	-170	-65	81.4	0	0	0	115.7
574	L	27.5	Very low	29.9	Very low	165 Å²	165	137.5 Å²	137.5	86%	0.864	76%	0.761	S	S	*	*			trans	-125.1	34.9	177.8	-75.1	170.1	0	0	0	112.9	E576	L574-E576 PolarHBondContact O-N 3.12Å
575	N	26	Very low	29.7	Very low	154 Å²	154	141.1 Å²	141.1	82%	0.824	77%	0.769	S	S	*	*			trans	-79	98.6	160.1	-80	-25.2	0	0	0	108.6	P577	N575-P577 WeakPolarHBondContact O-CD 3.06Å
576	E	31	Very low	29.5	Very low	164 Å²	164	139.6 Å²	139.6	77%	0.766	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-54.8	124.7	160.4	-75.9	-90.7	151.1	0	0	109.3	L574	L574-E576 PolarHBondContact O-N 3.12Å
577	P	32.1	Very low	29.4	Very low	92 Å²	92	140.5 Å²	140.5	60%	0.597	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-78	118.7	143.2	9.7	7.9	0	0	0	106.4	N575 W579	N575-P577 WeakPolarHBondContact O-CD 3.06Å; P577-W579 PolarHBondContact O-N 3.42Å
578	E	30.7	Very low	29.3	Very low	177 Å²	177	149.4 Å²	149.4	83%	0.827	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-57.9	120.9	166.2	-72.5	-177.3	141.4	0	0	109.4	S580	E578-S580 PolarHBondContact O-N 3.45Å
579	W	36.2	Very low	29.7	Very low	206 Å²	206	150.2 Å²	150.2	78%	0.78	80%	0.804	S	S	*	*			trans	-92.9	88.2	169.3	-69.5	62	0	0	0	108.3	P577	P577-W579 PolarHBondContact O-N 3.42Å
580	S	28.9	Very low	29.8	Very low	101 Å²	101	155.5 Å²	155.5	71%	0.706	82%	0.819	S	S	*	*			trans	-78.1	127.5	165.7	59	0	0	0	0	110	E578 E582	E578-S580 PolarHBondContact O-N 3.45Å; S580-E582 PolarHBondContact O-N 3.28Å
581	L	30.1	Very low	29.7	Very low	181 Å²	181	154.1 Å²	154.1	95%	0.948	82%	0.824	S	S	*	*	S	Bend	trans	-83.3	35.9	-168.5	-129.8	136.6	0	0	0	113.9
582	E	29.6	Very low	29.8	Very low	185 Å²	185	158.4 Å²	158.4	86%	0.864	83%	0.826	S	S	*	*			trans	-135.6	115	179.5	-72.4	-170.7	160.3	0	0	111.1	S580	S580-E582 PolarHBondContact O-N 3.28Å
583	G	26.6	Very low	29.9	Very low	78 Å²	78	156.5 Å²	156.5	80%	0.804	83%	0.829	S	S	*	*			trans	161.7	47.1	172.4	0	0	0	0	0	117.8
584	I	30	Very low	29.8	Very low	173 Å²	173	150 Å²	150	89%	0.887	82%	0.823	S	S	*	*			trans	-125.7	88.4	158.9	-54.6	-179.7	0	0	0	109
585	R	29.4	Very low	30.1	Very low	248 Å²	248	152.3 Å²	152.3	94%	0.936	82%	0.82	S	S	*	*			trans	-116.4	121.4	150	-85.7	-169.6	-177.5	-153.1	2.7	107.6
586	G	28.1	Very low	30.3	Very low	69 Å²	69	152.2 Å²	152.2	71%	0.711	81%	0.814	S	S	*	*			trans	-69.8	166.9	-170.8	0	0	0	0	0	114.9
587	S	27.1	Very low	30.8	Very low	128 Å²	128	149 Å²	149	90%	0.895	81%	0.807	S	S	*	*			trans	-147.4	125.2	161	-61.6	0	0	0	0	108.4
588	R	27.7	Very low	30.7	Very low	247 Å²	247	153.9 Å²	153.9	93%	0.932	82%	0.822	S	S	*	*			trans	-85.3	170.3	176	-104.3	-171.9	176.5	-178.9	-0.4	110.9
589	P	38.1	Very low	31.1	Very low	116 Å²	116	150 Å²	150	75%	0.753	81%	0.812	S	S	*	*			trans	-100.7	160.9	-143.7	39.2	-36.3	0	0	0	115.6
590	Q	29.7	Very low	31.1	Very low	205 Å²	205	149.8 Å²	149.8	96%	0.958	82%	0.819	S	S	*	*			trans	-145.1	143.1	158.9	-63.4	-178	10.1	0	0	105.7
591	G	27.8	Very low	31.3	Very low	75 Å²	75	148.3 Å²	148.3	77%	0.773	82%	0.82	S	S	*	*			cis	177	139.2	1	0	0	0	0	0	105.1
592	L	30.8	Very low	31.5	Very low	172 Å²	172	145.3 Å²	145.3	90%	0.901	81%	0.812	S	S	*	*			trans	-69.1	166.4	179.4	-77.4	155.6	0	0	0	112.6
593	P	30.8	Very low	31.8	Very low	129 Å²	129	142.7 Å²	142.7	84%	0.838	81%	0.81	S	S	*	*				-129	154.4	123.5	31.7	-18.6	0	0	0	114.3
594	A	27.9	Very low	32	Very low	86 Å²	86	150.2 Å²	150.2	71%	0.711	82%	0.815	S	S	*	*			trans	-100.9	150.4	-173.4	0	0	0	0	0	112.2
595	R	32.8	Very low	32.2	Very low	212 Å²	212	148 Å²	148	80%	0.8	81%	0.811	S	S	*	*				147.3	152.2	104.6	-98.8	166.2	174.8	-141.4	12.8	106.2
596	H	30.8	Very low	32.2	Very low	152 Å²	152	143.1 Å²	143.1	70%	0.704	81%	0.809	S	S	*	*			cis	-161.2	173.1	25.3	-108.2	-51.9	0	0	0	110.3
597	P	40.9	Very low	32.3	Very low	97 Å²	97	144.6 Å²	144.6	63%	0.63	81%	0.809	S	S	*	*			trans	-108	164.9	-154.6	41.1	-36.2	0	0	0	115.3
598	H	30.6	Very low	32.2	Very low	194 Å²	194	148.6 Å²	148.6	90%	0.898	81%	0.81	S	S	*	*			trans	-160	159.5	147	-94.5	-53.9	0	0	0	111.3
599	P	39.9	Very low	32.3	Very low	97 Å²	97	143.6 Å²	143.6	63%	0.63	80%	0.802	S	S	*	*			trans	-116.3	141.4	-140.2	37.5	-24.6	0	0	0	113.9
600	H	35.9	Very low	31.9	Very low	200 Å²	200	146 Å²	146	93%	0.926	80%	0.803	S	S	*	*			trans	-145.5	128.8	153.6	-82.4	-66.2	0	0	0	109.8
601	G	31.6	Very low	31.8	Very low	70 Å²	70	144.9 Å²	144.9	72%	0.722	80%	0.797	S	S	*	*			trans	-77.7	176.4	-171.4	0	0	0	0	0	115.1
602	P	35.2	Very low	31.8	Very low	119 Å²	119	148.1 Å²	148.1	77%	0.773	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-90.9	149.7	-169.1	35.4	-32.4	0	0	0	112.4
603	P	36	Very low	31.5	Very low	129 Å²	129	143.3 Å²	143.3	84%	0.838	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-79.5	134.1	164.5	29.8	-26.4	0	0	0	110.6
604	R	31.4	Very low	31.1	Very low	237 Å²	237	140.3 Å²	140.3	89%	0.894	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-72.3	156	177.9	-80.1	179.7	174.3	-178.5	-1.7	112.5
605	P	33.6	Very low	31	Very low	125 Å²	125	144.7 Å²	144.7	81%	0.812	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-81.9	142.4	176.7	34.1	-32.8	0	0	0	111.6
606	T	30.2	Very low	30.9	Very low	147 Å²	147	146.7 Å²	146.7	90%	0.902	81%	0.81	S	S	*	*			trans	-95.6	115.3	166.2	45.8	0	0	0	0	109.9
607	S	28.5	Very low	30.9	Very low	99 Å²	99	146.5 Å²	146.5	69%	0.692	82%	0.815	S	S	*	*			trans	-83.9	142.5	164.5	54.5	0	0	0	0	110.4
608	F	26.5	Very low	30.4	Very low	212 Å²	212	149.1 Å²	149.1	93%	0.93	83%	0.825	S	S	*	*			trans	-143.3	128.3	146.1	-112.5	-85.9	0	0	0	109
609	L	28.6	Very low	30.4	Very low	143 Å²	143	146.6 Å²	146.6	75%	0.749	82%	0.82	S	S	*	*			trans	-64.8	144.8	-171	-70.7	126.7	0	0	0	113
610	Q	29.3	Very low	29.8	Very low	167 Å²	167	149.5 Å²	149.5	78%	0.78	83%	0.832	S	S	*	*				58	100.1	70.5	-100.4	-170	1.8	0	0	116.2
611	H	28.8	Very low	29.4	Very low	181 Å²	181	146.3 Å²	146.3	84%	0.838	83%	0.826	S	S	*	*			trans	170.8	133	133.1	-92.4	-23.9	0	0	0	106.6
612	V	27	Very low	29.3	Very low	142 Å²	142	151.4 Å²	151.4	86%	0.861	83%	0.833	S	S	*	*				-154.3	139.6	68.2	172.2	0	0	0	0	109.6
613	G	24.5	Very low	28.9	Very low	72 Å²	72	153.7 Å²	153.7	74%	0.742	84%	0.837	S	S	*	*			trans	-115.2	150.2	159.9	0	0	0	0	0	110.3
614	G	23.4	Very low	28.3	Very low	66 Å²	66	155.6 Å²	155.6	68%	0.68	84%	0.837	S	S	*	*			trans	103.3	105.9	158.2	0	0	0	0	0	116.3
615	H	26.3	Very low	28	Very low	177 Å²	177	148.8 Å²	148.8	82%	0.819	83%	0.832	S	S	*	*				177.8	126.8	119.5	-94.2	-69.3	0	0	0	110.4
616	H	29.9	Very low	27.5	Very low	255 Å²	255	151 Å²	151	100%	1.181	83%	0.834	S	S	*	*			trans	75.2	0	168.9	-68.2	-62.8	0	0	0	120.5

Retrieved 616 of 616 residues in 561.7 ms (Link to these results)

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