A0A077Z918_TRITR Loading...

Trans reg C domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z918, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 512 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	40.7	Very low	82.3	Confident	241 Å²	241	72.1 Å²	72.1	100%	1.187	36%	0.359	S	S	*	.				0	143.8	0	-72	161.1	173.5	0	0	107.9
2	Q	56.8	Low	83.4	Confident	143 Å²	143	71 Å²	71	67%	0.668	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-68	140.5	169	-60.2	-169.2	26.3	0	0	108.1
3	Q	68.5	Low	84.4	Confident	89 Å²	89	65.5 Å²	65.5	42%	0.416	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-67.5	130.2	173.5	-76.4	-178.6	-12.5	0	0	108.7	P15	Q3-P15 HydrophobicContact CB-CB 3.97Å; Q3-P15 HydrophobicContact CB-CG 4.2Å
4	P	82.4	Confident	85.1	Confident	65 Å²	65	63 Å²	63	42%	0.422	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-61.7	144.7	-175.5	22	-31	0	0	0	111.6	W106	P4-W106 HydrophobicContact CB-CE3 4.18Å; P4-W106 HydrophobicContact CG-CE3 3.76Å; P4-W106 HydrophobicContact CG-CZ3 3.86Å
5	V	89.8	Confident	85.5	Confident	47 Å²	47	59.1 Å²	59.1	29%	0.285	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	134.5	176.7	-177.6	0	0	0	0	108.3	L12 V13 T14 Y107	V5-L12 HydrophobicContact CG1-CD1 3.5Å; V5-L12 HydrophobicContact CG1-CD2 4.23Å; V5-L12 HydrophobicContact CG1-CG 3.73Å; V5-V13 WeakPolarHBondContact CG1-O 3.37Å; V5-T14 HydrophobicContact CG2-CG2 4.34Å; V5-Y107 HydrophobicContact CG1-CD2 4.35Å; V5-Y107 PolarHBondContact O-N 3.03Å
6	V	94.1	Very high	85.8	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.9	-176.1	62.8	0	0	0	0	110.9	V8 V13 A41 V104 W106	V6-V8 HydrophobicContact CG1-CG2 4.37Å; V6-V8 HydrophobicContact CG2-CG2 4.25Å; V6-V13 HydrophobicContact CG1-CB 3.83Å; V6-V13 HydrophobicContact CG1-CG1 4.43Å; V6-V13 HydrophobicContact CG1-CG2 4.26Å; V6-V13 PolarHBondContact N-O 3.19Å; V6-V13 WeakPolarHBondContact O-CA 3.42Å; V6-V13 VanDerWaalsContact O-CB 3.31Å; V6-V13 WeakPolarHBondContact O-CB 3.49Å; V6-V13 WeakPolarHBondContact O-CG2 2.88Å; V6-V13 PolarHBondContact O-N 2.75Å; V6-A41 HydrophobicContact CG1-CB 4.49Å; V6-A41 HydrophobicContact CG2-CB 4.11Å; V6-V104 HydrophobicContact CG2-CG1 3.5Å; V6-W106 HydrophobicContact CB-CD2 3.89Å; V6-W106 HydrophobicContact CB-CE3 3.58Å; V6-W106 HydrophobicContact CB-CH2 4.1Å; V6-W106 HydrophobicContact CB-CZ2 4.38Å; V6-W106 HydrophobicContact CB-CZ3 3.69Å; V6-W106 HydrophobicContact CG1-CE3 4.38Å; V6-W106 HydrophobicContact CG1-CH2 4.11Å; V6-W106 HydrophobicContact CG1-CZ3 3.98Å; V6-W106 HydrophobicContact CG2-CD2 3.58Å; V6-W106 HydrophobicContact CG2-CE3 3.84Å; V6-W106 HydrophobicContact CG2-CG 4.02Å; V6-W106 HydrophobicContact CG2-CH2 4.18Å; V6-W106 HydrophobicContact CG2-CZ2 3.95Å; V6-W106 HydrophobicContact CG2-CZ3 4.12Å
7	R	95.5	Very high	86.1	Confident	105 Å²	105	61.2 Å²	61.2	40%	0.396	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.5	170.2	179.1	176	-177.5	172.3	4.2	109.3	G9 W11 L12 V104 I105 Y107	R7-G9 WeakPolarHBondContact CG-O 3.21Å; R7-G9 PolarHBondContact NE-O 3.2Å; R7-W11 CarbonylContact C-O 3.6Å; R7-W11 WeakPolarHBondContact CA-O 3.39Å; R7-L12 HydrophobicContact CB-CD1 4.31Å; R7-V104 CarbonylContact O-C 3.55Å; R7-V104 WeakPolarHBondContact O-CA 3.33Å; R7-I105 HydrophobicContact CB-CB 4.38Å; R7-I105 PolarHBondContact N-O 3.25Å; R7-I105 PolarHBondContact O-N 3Å; R7-Y107 HydrophobicContact CB-CE2 3.84Å
8	V	95.6	Very high	86.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	104	174.5	-179.8	0	0	0	0	107	V6 E10 W11 V13 L37 A41 Y89 L100 V102 V104	V6-V8 HydrophobicContact CG1-CG2 4.37Å; V6-V8 HydrophobicContact CG2-CG2 4.25Å; V8-E10 PolarHBondContact O-N 2.68Å; V8-E10 VanDerWaalsContact O-N 3.16Å; V8-W11 PolarHBondContact N-O 3.03Å; V8-W11 PolarHBondContact O-N 3.11Å; V8-V13 HydrophobicContact CB-CG2 4.35Å; V8-V13 HydrophobicContact CG2-CG2 4Å; V8-L37 HydrophobicContact CB-CD1 4.46Å; V8-L37 HydrophobicContact CG1-CD1 4.01Å; V8-L37 HydrophobicContact CG2-CD1 4.37Å; V8-L37 HydrophobicContact CG2-CG 4.47Å; V8-A41 HydrophobicContact CG2-CB 3.87Å; V8-Y89 HydrophobicContact CG1-CD1 4.26Å; V8-Y89 HydrophobicContact CG1-CE1 4.44Å; V8-Y89 WeakPolarHBondContact O-CE1 3.36Å; V8-L100 HydrophobicContact CG1-CD1 3.92Å; V8-L100 HydrophobicContact CG1-CD2 4.02Å; V8-L100 HydrophobicContact CG1-CG 4.48Å; V8-V102 HydrophobicContact CG1-CG2 3.56Å; V8-V104 HydrophobicContact CG2-CG2 4.45Å
9	G	93.3	Very high	86.9	Confident	17 Å²	17	59.9 Å²	59.9	18%	0.175	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	-114.7	-170.9	0	0	0	0	0	112.4	R7 P103	R7-G9 WeakPolarHBondContact CG-O 3.21Å; R7-G9 PolarHBondContact NE-O 3.2Å; G9-P103 PolarHBondContact N-O 3.06Å
10	E	92.8	Very high	87.3	Confident	85 Å²	85	56.9 Å²	56.9	40%	0.397	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-18.4	177.3	-57.4	-172.8	152	0	0	113.6	V8 R22 Y89	V8-E10 PolarHBondContact O-N 2.68Å; V8-E10 VanDerWaalsContact O-N 3.16Å; E10-R22 HydrophobicContact CB-CB 4.3Å; E10-R22 WeakPolarHBondContact O-CB 3.48Å; E10-R22 IonicContact OE2-CZ 2.88Å; E10-R22 IonicContact OE2-NH1 2.68Å; E10-R22 PolarHBondContact OE2-NH1 3.4Å; E10-Y89 PolarHBondContact N-OH 2.72Å
11	W	95.7	Very high	87.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.1	-174.9	-68.2	106.2	0	0	0	111.5	R7 V8 I20 S21 R22 L27 L79 D81 Y89	R7-W11 CarbonylContact C-O 3.6Å; R7-W11 WeakPolarHBondContact CA-O 3.39Å; V8-W11 PolarHBondContact N-O 3.03Å; V8-W11 PolarHBondContact O-N 3.11Å; W11-I20 HydrophobicContact CB-CB 4.44Å; W11-I20 HydrophobicContact CD2-CB 4.33Å; W11-I20 HydrophobicContact CD2-CD1 3.77Å; W11-I20 HydrophobicContact CD2-CG1 4.22Å; W11-I20 HydrophobicContact CE3-CB 3.81Å; W11-I20 HydrophobicContact CE3-CD1 3.74Å; W11-I20 HydrophobicContact CE3-CG1 3.69Å; W11-I20 HydrophobicContact CG-CD1 4.28Å; W11-I20 HydrophobicContact CH2-CD1 4.26Å; W11-I20 HydrophobicContact CZ2-CD1 4.29Å; W11-I20 HydrophobicContact CZ3-CB 4.42Å; W11-I20 HydrophobicContact CZ3-CD1 3.99Å; W11-I20 HydrophobicContact CZ3-CG1 3.88Å; W11-S21 CarbonylContact C-O 3.6Å; W11-S21 WeakPolarHBondContact CA-O 3.29Å; W11-S21 VanDerWaalsContact CE3-C 3.42Å; W11-R22 HydrophobicContact CD2-CB 4.09Å; W11-R22 HydrophobicContact CD2-CG 3.91Å; W11-R22 HydrophobicContact CE3-CB 3.85Å; W11-R22 HydrophobicContact CE3-CG 3.76Å; W11-R22 HydrophobicContact CH2-CG 3.82Å; W11-R22 HydrophobicContact CZ2-CG 3.95Å; W11-R22 HydrophobicContact CZ3-CB 4.21Å; W11-R22 HydrophobicContact CZ3-CG 3.73Å; W11-L27 HydrophobicContact CH2-CD1 3.65Å; W11-L27 HydrophobicContact CH2-CG 4.14Å; W11-L27 HydrophobicContact CZ2-CD1 4.25Å; W11-L27 HydrophobicContact CZ3-CD1 4.27Å; W11-L27 HydrophobicContact CZ3-CG 4.41Å; W11-L79 HydrophobicContact CG-CD2 4.04Å; W11-L79 PolarHBondContact NE1-O 3.01Å; W11-D81 HydrophobicContact CH2-CB 4.15Å; W11-D81 WeakPolarHBondContact CH2-OD2 3.31Å; W11-D81 HydrophobicContact CZ2-CB 3.69Å; W11-Y89 AromaticContact CD1-CE1 3.71Å; W11-Y89 AromaticContact CD1-CZ 3.46Å; W11-Y89 VanDerWaalsContact CD1-CZ 3.46Å; W11-Y89 VanDerWaalsContact CD1-OH 3.29Å; W11-Y89 AromaticContact NE1-CZ 3.91Å
12	L	95.8	Very high	90.1	Very high	59 Å²	59	45.1 Å²	45.1	31%	0.309	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	113.5	162.7	-171	73.6	0	0	0	108.6	V5 R7 I20 S21 Y107	V5-L12 HydrophobicContact CG1-CD1 3.5Å; V5-L12 HydrophobicContact CG1-CD2 4.23Å; V5-L12 HydrophobicContact CG1-CG 3.73Å; R7-L12 HydrophobicContact CB-CD1 4.31Å; L12-I20 CarbonylContact O-C 3.56Å; L12-I20 WeakPolarHBondContact O-CA 3.47Å; L12-S21 PolarHBondContact N-O 3.38Å; L12-S21 PolarHBondContact O-N 3.03Å; L12-Y107 HydrophobicContact CD1-CD2 3.96Å; L12-Y107 HydrophobicContact CD1-CE2 3.57Å
13	V	96.1	Very high	91.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125	177.9	-170.7	0	0	0	0	108.6	V5 V6 V8 P15 I20 I34 L37 V38	V5-V13 WeakPolarHBondContact CG1-O 3.37Å; V6-V13 HydrophobicContact CG1-CB 3.83Å; V6-V13 HydrophobicContact CG1-CG1 4.43Å; V6-V13 HydrophobicContact CG1-CG2 4.26Å; V6-V13 PolarHBondContact N-O 3.19Å; V6-V13 WeakPolarHBondContact O-CA 3.42Å; V6-V13 VanDerWaalsContact O-CB 3.31Å; V6-V13 WeakPolarHBondContact O-CB 3.49Å; V6-V13 WeakPolarHBondContact O-CG2 2.88Å; V6-V13 PolarHBondContact O-N 2.75Å; V8-V13 HydrophobicContact CB-CG2 4.35Å; V8-V13 HydrophobicContact CG2-CG2 4Å; V13-P15 HydrophobicContact CG1-CG 4.24Å; V13-P15 WeakPolarHBondContact O-CD 3.08Å; V13-I20 HydrophobicContact CB-CG2 4.28Å; V13-I20 HydrophobicContact CG1-CG2 4.07Å; V13-I20 HydrophobicContact CG2-CG2 3.93Å; V13-I34 HydrophobicContact CG1-CD1 4.12Å; V13-L37 HydrophobicContact CG1-CD2 4.24Å; V13-L37 HydrophobicContact CG2-CD2 3.54Å; V13-L37 HydrophobicContact CG2-CG 4.2Å; V13-V38 HydrophobicContact CG1-CG2 4.46Å
14	T	93.9	Very high	92.2	Very high	30 Å²	30	45.3 Å²	45.3	18%	0.184	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	89.7	175.5	-52.1	0	0	0	0	108.1	V5 S16 I17 N18 Q19	V5-T14 HydrophobicContact CG2-CG2 4.34Å; T14-S16 VanDerWaalsContact C-N 3.31Å; T14-S16 PolarHBondContact O-N 3.23Å; T14-I17 HydrophobicContact CG2-CD1 3.95Å; T14-I17 HydrophobicContact CG2-CG1 3.78Å; T14-I17 PolarHBondContact O-N 2.53Å; T14-N18 PolarHBondContact O-N 2.85Å; T14-Q19 PolarHBondContact N-O 2.83Å; T14-Q19 PolarHBondContact O-N 2.7Å
15	P	92	Very high	92.5	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.032	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-65.4	-34.1	-167.1	-23.6	35.1	0	0	0	113.6	Q3 V13 I17 N18 I34 V38	Q3-P15 HydrophobicContact CB-CB 3.97Å; Q3-P15 HydrophobicContact CB-CG 4.2Å; V13-P15 HydrophobicContact CG1-CG 4.24Å; V13-P15 WeakPolarHBondContact O-CD 3.08Å; P15-I17 PolarHBondContact O-N 3Å; P15-N18 PolarHBondContact O-N 3.43Å; P15-I34 HydrophobicContact CB-CG2 3.8Å; P15-I34 HydrophobicContact CG-CG2 4.49Å; P15-V38 HydrophobicContact CB-CG2 4.1Å; P15-V38 HydrophobicContact CG-CG2 3.62Å
16	S	90.3	Very high	92.6	Very high	62 Å²	62	51.7 Å²	51.7	43%	0.434	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-57.4	-18.8	-179.8	53.5	0	0	0	0	115.2	T14	T14-S16 VanDerWaalsContact C-N 3.31Å; T14-S16 PolarHBondContact O-N 3.23Å
17	I	91	Very high	92.6	Very high	91 Å²	91	53.6 Å²	53.6	47%	0.467	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-125.2	9.5	177.3	63.9	177.7	0	0	0	112.9	T14 P15 Q19	T14-I17 HydrophobicContact CG2-CD1 3.95Å; T14-I17 HydrophobicContact CG2-CG1 3.78Å; T14-I17 PolarHBondContact O-N 2.53Å; P15-I17 PolarHBondContact O-N 3Å; I17-Q19 VanDerWaalsContact C-N 3.34Å; I17-Q19 HydrophobicContact CD1-CB 4.26Å; I17-Q19 HydrophobicContact CD1-CG 4.31Å; I17-Q19 VanDerWaalsContact CD1-OE1 3.28Å; I17-Q19 HydrophobicContact CG1-CB 4.04Å; I17-Q19 HydrophobicContact CG1-CG 4.12Å; I17-Q19 PolarHBondContact O-N 3.33Å
18	N	92.5	Very high	92.5	Very high	46 Å²	46	53.2 Å²	53.2	25%	0.246	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	38	-178.8	-59.8	-61.5	0	0	0	115.3	T14 P15 T28 L29 P31 I34	T14-N18 PolarHBondContact O-N 2.85Å; P15-N18 PolarHBondContact O-N 3.43Å; N18-T28 WeakPolarHBondContact O-CA 3.29Å; N18-L29 PolarHBondContact O-N 2.92Å; N18-P31 WeakPolarHBondContact OD1-CA 3.42Å; N18-I34 HydrophobicContact CB-CG1 4.02Å
19	Q	94	Very high	92.4	Very high	52 Å²	52	54 Å²	54	24%	0.243	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.9	-178.1	-71.2	-177.2	-16	0	0	113.6	T14 I17 L27 T28	T14-Q19 PolarHBondContact N-O 2.83Å; T14-Q19 PolarHBondContact O-N 2.7Å; I17-Q19 VanDerWaalsContact C-N 3.34Å; I17-Q19 HydrophobicContact CD1-CB 4.26Å; I17-Q19 HydrophobicContact CD1-CG 4.31Å; I17-Q19 VanDerWaalsContact CD1-OE1 3.28Å; I17-Q19 HydrophobicContact CG1-CB 4.04Å; I17-Q19 HydrophobicContact CG1-CG 4.12Å; I17-Q19 PolarHBondContact O-N 3.33Å; Q19-L27 WeakPolarHBondContact CA-O 3.13Å; Q19-T28 HydrophobicContact CG-CG2 4.44Å; Q19-T28 PolarHBondContact NE2-OG1 3.41Å
20	I	96.2	Very high	92.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.7	163.5	63.4	171	0	0	0	110	W11 L12 V13 Q26 L27 L29 I34 L37 L79	W11-I20 HydrophobicContact CB-CB 4.44Å; W11-I20 HydrophobicContact CD2-CB 4.33Å; W11-I20 HydrophobicContact CD2-CD1 3.77Å; W11-I20 HydrophobicContact CD2-CG1 4.22Å; W11-I20 HydrophobicContact CE3-CB 3.81Å; W11-I20 HydrophobicContact CE3-CD1 3.74Å; W11-I20 HydrophobicContact CE3-CG1 3.69Å; W11-I20 HydrophobicContact CG-CD1 4.28Å; W11-I20 HydrophobicContact CH2-CD1 4.26Å; W11-I20 HydrophobicContact CZ2-CD1 4.29Å; W11-I20 HydrophobicContact CZ3-CB 4.42Å; W11-I20 HydrophobicContact CZ3-CD1 3.99Å; W11-I20 HydrophobicContact CZ3-CG1 3.88Å; L12-I20 CarbonylContact O-C 3.56Å; L12-I20 WeakPolarHBondContact O-CA 3.47Å; V13-I20 HydrophobicContact CB-CG2 4.28Å; V13-I20 HydrophobicContact CG1-CG2 4.07Å; V13-I20 HydrophobicContact CG2-CG2 3.93Å; I20-Q26 WeakPolarHBondContact O-CA 3.48Å; I20-L27 HydrophobicContact CD1-CB 4.42Å; I20-L27 HydrophobicContact CD1-CD1 4.22Å; I20-L27 HydrophobicContact CG1-CB 3.88Å; I20-L27 HydrophobicContact CG1-CD1 4.48Å; I20-L27 PolarHBondContact N-O 2.91Å; I20-L27 PolarHBondContact O-N 3Å; I20-L29 HydrophobicContact CD1-CD1 4.02Å; I20-L29 HydrophobicContact CD1-CD2 4.34Å; I20-L29 HydrophobicContact CD1-CG 4.4Å; I20-L29 HydrophobicContact CG1-CD1 4.28Å; I20-L29 HydrophobicContact CG1-CD2 4.48Å; I20-L29 HydrophobicContact CG1-CG 4.3Å; I20-L29 HydrophobicContact CG2-CD1 4.06Å; I20-I34 HydrophobicContact CG2-CD1 4.02Å; I20-L37 HydrophobicContact CG2-CD2 3.97Å; I20-L79 HydrophobicContact CD1-CD2 4.06Å
21	S	94.4	Very high	92.3	Very high	29 Å²	29	57.1 Å²	57.1	20%	0.203	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.1	178.2	65.4	0	0	0	0	114	W11 L12 R25	W11-S21 CarbonylContact C-O 3.6Å; W11-S21 WeakPolarHBondContact CA-O 3.29Å; W11-S21 VanDerWaalsContact CE3-C 3.42Å; L12-S21 PolarHBondContact N-O 3.38Å; L12-S21 PolarHBondContact O-N 3.03Å; S21-R25 CarbonylContact C-O 3.54Å; S21-R25 WeakPolarHBondContact CA-O 3.19Å
22	R	92.1	Very high	92.2	Very high	22 Å²	22	60.6 Å²	60.6	8%	0.083	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	143	170.5	74.6	177.3	170.3	166	-7.6	110.1	E10 W11 G24 R25 K80 D83 S86	E10-R22 HydrophobicContact CB-CB 4.3Å; E10-R22 WeakPolarHBondContact O-CB 3.48Å; E10-R22 IonicContact OE2-CZ 2.88Å; E10-R22 IonicContact OE2-NH1 2.68Å; E10-R22 PolarHBondContact OE2-NH1 3.4Å; W11-R22 HydrophobicContact CD2-CB 4.09Å; W11-R22 HydrophobicContact CD2-CG 3.91Å; W11-R22 HydrophobicContact CE3-CB 3.85Å; W11-R22 HydrophobicContact CE3-CG 3.76Å; W11-R22 HydrophobicContact CH2-CG 3.82Å; W11-R22 HydrophobicContact CZ2-CG 3.95Å; W11-R22 HydrophobicContact CZ3-CB 4.21Å; W11-R22 HydrophobicContact CZ3-CG 3.73Å; R22-G24 PolarHBondContact O-N 2.9Å; R22-R25 PolarHBondContact N-O 3.11Å; R22-R25 WeakPolarHBondContact O-CA 3.43Å; R22-R25 WeakPolarHBondContact O-CB 3.21Å; R22-R25 PolarHBondContact O-N 3.46Å; R22-K80 PolarHBondContact NH2-O 2.83Å; R22-D83 IonicContact NH1-OD2 2.66Å; R22-D83 IonicContact NH2-OD2 3.24Å; R22-S86 PolarHBondContact NH1-OG 3.07Å; R22-S86 PolarHBondContact NH2-OG 3.25Å
23	N	86.1	Confident	92.1	Very high	154 Å²	154	58.1 Å²	58.1	82%	0.824	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	37.2	173.1	-58.4	-24.8	0	0	0	114.6	R25	N23-R25 VanDerWaalsContact C-N 3.26Å; N23-R25 PolarHBondContact O-N 2.86Å
24	G	82.9	Confident	92.2	Very high	82 Å²	82	58.2 Å²	58.2	85%	0.845	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-8.5	-177.1	0	0	0	0	0	115.8	R22	R22-G24 PolarHBondContact O-N 2.9Å
25	R	88.7	Confident	92.1	Very high	117 Å²	117	59.9 Å²	59.9	44%	0.442	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.8	172.7	-166	164.2	-176.4	-161	-4.4	109.9	S21 R22 N23 D81	S21-R25 CarbonylContact C-O 3.54Å; S21-R25 WeakPolarHBondContact CA-O 3.19Å; R22-R25 PolarHBondContact N-O 3.11Å; R22-R25 WeakPolarHBondContact O-CA 3.43Å; R22-R25 WeakPolarHBondContact O-CB 3.21Å; R22-R25 PolarHBondContact O-N 3.46Å; N23-R25 VanDerWaalsContact C-N 3.26Å; N23-R25 PolarHBondContact O-N 2.86Å; R25-D81 WeakPolarHBondContact CD-OD2 3.35Å; R25-D81 IonicContact CZ-OD1 2.65Å; R25-D81 IonicContact CZ-OD2 2.88Å; R25-D81 IonicContact NE-OD1 3.99Å; R25-D81 IonicContact NE-OD2 3.41Å; R25-D81 PolarHBondContact NE-OD2 3.09Å; R25-D81 PolarHBondContact NH1-O 3Å; R25-D81 IonicContact NH1-OD1 2.68Å; R25-D81 PolarHBondContact NH1-OD1 3.33Å; R25-D81 VanDerWaalsContact NH1-OD1 3.11Å; R25-D81 IonicContact NH1-OD2 3.97Å; R25-D81 PolarHBondContact NH1-OD2 2.99Å; R25-D81 IonicContact NH2-OD1 2.81Å; R25-D81 PolarHBondContact NH2-OD1 3.48Å; R25-D81 IonicContact NH2-OD2 2.76Å
26	Q	91.5	Very high	92.3	Very high	129 Å²	129	59.6 Å²	59.6	60%	0.603	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.1	177.5	-63.8	-176.2	-14.6	0	0	109.7	I20	I20-Q26 WeakPolarHBondContact O-CA 3.48Å
27	L	93.4	Very high	92.6	Very high	41 Å²	41	56.7 Å²	56.7	22%	0.215	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.5	173.2	-59.2	174.5	0	0	0	108.9	W11 Q19 I20 L29 S78 D81	W11-L27 HydrophobicContact CH2-CD1 3.65Å; W11-L27 HydrophobicContact CH2-CG 4.14Å; W11-L27 HydrophobicContact CZ2-CD1 4.25Å; W11-L27 HydrophobicContact CZ3-CD1 4.27Å; W11-L27 HydrophobicContact CZ3-CG 4.41Å; Q19-L27 WeakPolarHBondContact CA-O 3.13Å; I20-L27 HydrophobicContact CD1-CB 4.42Å; I20-L27 HydrophobicContact CD1-CD1 4.22Å; I20-L27 HydrophobicContact CG1-CB 3.88Å; I20-L27 HydrophobicContact CG1-CD1 4.48Å; I20-L27 PolarHBondContact N-O 2.91Å; I20-L27 PolarHBondContact O-N 3Å; L27-L29 HydrophobicContact CB-CD2 4.32Å; L27-S78 WeakPolarHBondContact CD1-O 3.38Å; L27-D81 HydrophobicContact CD1-CB 4.28Å
28	T	93.7	Very high	92.8	Very high	97 Å²	97	52.8 Å²	52.8	60%	0.595	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.7	164.6	-51.9	0	0	0	0	108.4	N18 Q19	N18-T28 WeakPolarHBondContact O-CA 3.29Å; Q19-T28 HydrophobicContact CG-CG2 4.44Å; Q19-T28 PolarHBondContact NE2-OG1 3.41Å
29	L	94.4	Very high	93	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.084	28%	0.279	C	S	.	.			trans	-107.3	167.2	176.3	-54.1	-173	0	0	0	110.6	N18 I20 L27 L33 I34 L75	N18-L29 PolarHBondContact O-N 2.92Å; I20-L29 HydrophobicContact CD1-CD1 4.02Å; I20-L29 HydrophobicContact CD1-CD2 4.34Å; I20-L29 HydrophobicContact CD1-CG 4.4Å; I20-L29 HydrophobicContact CG1-CD1 4.28Å; I20-L29 HydrophobicContact CG1-CD2 4.48Å; I20-L29 HydrophobicContact CG1-CG 4.3Å; I20-L29 HydrophobicContact CG2-CD1 4.06Å; L27-L29 HydrophobicContact CB-CD2 4.32Å; L29-L33 HydrophobicContact CB-CB 4.27Å; L29-L33 HydrophobicContact CD1-CB 4.39Å; L29-I34 HydrophobicContact CB-CD1 4.09Å; L29-I34 HydrophobicContact CB-CG1 3.96Å; L29-I34 HydrophobicContact CD1-CD1 3.97Å; L29-I34 HydrophobicContact CD1-CG1 4.48Å; L29-I34 HydrophobicContact CG-CD1 4.2Å; L29-L75 HydrophobicContact CD1-CD1 4.21Å
30	E	92.2	Very high	93.1	Very high	97 Å²	97	49 Å²	49	45%	0.453	27%	0.267	S	S	.	.			trans	-63.1	143.3	165	-60.1	-173.7	161.6	0	0	110	R32 L33 I34	E30-R32 VanDerWaalsContact C-N 3.27Å; E30-R32 PolarHBondContact O-N 2.88Å; E30-R32 IonicContact OE2-CZ 3.95Å; E30-R32 IonicContact OE2-NE 3.46Å; E30-R32 IonicContact OE2-NH2 3.11Å; E30-R32 PolarHBondContact OE2-NH2 2.79Å; E30-L33 HydrophobicContact CB-CD1 4.39Å; E30-L33 HydrophobicContact CB-CG 4.19Å; E30-L33 WeakPolarHBondContact O-CB 3.47Å; E30-L33 PolarHBondContact O-N 2.89Å; E30-I34 PolarHBondContact O-N 3.16Å
31	P	91.6	Very high	93.1	Very high	71 Å²	71	49 Å²	49	46%	0.461	27%	0.267	S	S	.	.	H	α-helix	trans	-52.2	-44	-179.1	-26.9	33.3	0	0	0	113.4	N18 L33 I34 D35	N18-P31 WeakPolarHBondContact OD1-CA 3.42Å; P31-L33 PolarHBondContact O-N 3.23Å; P31-L33 VanDerWaalsContact O-N 3.16Å; P31-I34 CarbonylContact O-C 3.56Å; P31-I34 WeakPolarHBondContact O-CA 3.45Å; P31-I34 VanDerWaalsContact O-CB 3.31Å; P31-I34 WeakPolarHBondContact O-CB 3.21Å; P31-I34 PolarHBondContact O-N 2.98Å; P31-D35 PolarHBondContact O-N 2.91Å
32	R	92.6	Very high	93.1	Very high	72 Å²	72	53 Å²	53	27%	0.272	28%	0.283	S	S	.	.	H	α-helix	trans	-53.2	-35.6	174	173.7	-177.4	59.2	167.6	2.5	114.2	E30 L36 W58 E74	E30-R32 VanDerWaalsContact C-N 3.27Å; E30-R32 PolarHBondContact O-N 2.88Å; E30-R32 IonicContact OE2-CZ 3.95Å; E30-R32 IonicContact OE2-NE 3.46Å; E30-R32 IonicContact OE2-NH2 3.11Å; E30-R32 PolarHBondContact OE2-NH2 2.79Å; R32-L36 VanDerWaalsContact O-CB 3.22Å; R32-L36 WeakPolarHBondContact O-CB 3.34Å; R32-L36 PolarHBondContact O-N 2.95Å; R32-W58 VanDerWaalsContact CD-NE1 3.27Å; R32-W58 HydrophobicContact CG-CZ2 4.09Å; R32-E74 IonicContact NH2-OE2 2.71Å
33	L	95.6	Very high	93.2	Very high	8 Å²	8	55 Å²	55	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-77.4	-29.1	178.5	-59.3	-178.3	0	0	0	111.5	L29 E30 P31 L37 S71 E74 L75	L29-L33 HydrophobicContact CB-CB 4.27Å; L29-L33 HydrophobicContact CD1-CB 4.39Å; E30-L33 HydrophobicContact CB-CD1 4.39Å; E30-L33 HydrophobicContact CB-CG 4.19Å; E30-L33 WeakPolarHBondContact O-CB 3.47Å; E30-L33 PolarHBondContact O-N 2.89Å; P31-L33 PolarHBondContact O-N 3.23Å; P31-L33 VanDerWaalsContact O-N 3.16Å; L33-L37 VanDerWaalsContact O-CB 3.31Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 3.01Å; L33-S71 WeakPolarHBondContact CD2-O 3.35Å; L33-E74 HydrophobicContact CD1-CB 3.99Å; L33-E74 HydrophobicContact CD2-CB 4.21Å; L33-L75 HydrophobicContact CB-CD1 4.47Å; L33-L75 HydrophobicContact CD2-CB 4.32Å
34	I	96.3	Very high	93.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-70.5	-49.4	171.6	-65.2	-76.7	0	0	0	109.6	V13 P15 N18 I20 L29 E30 P31 L36 L37 V38	V13-I34 HydrophobicContact CG1-CD1 4.12Å; P15-I34 HydrophobicContact CB-CG2 3.8Å; P15-I34 HydrophobicContact CG-CG2 4.49Å; N18-I34 HydrophobicContact CB-CG1 4.02Å; I20-I34 HydrophobicContact CG2-CD1 4.02Å; L29-I34 HydrophobicContact CB-CD1 4.09Å; L29-I34 HydrophobicContact CB-CG1 3.96Å; L29-I34 HydrophobicContact CD1-CD1 3.97Å; L29-I34 HydrophobicContact CD1-CG1 4.48Å; L29-I34 HydrophobicContact CG-CD1 4.2Å; E30-I34 PolarHBondContact O-N 3.16Å; P31-I34 CarbonylContact O-C 3.56Å; P31-I34 WeakPolarHBondContact O-CA 3.45Å; P31-I34 VanDerWaalsContact O-CB 3.31Å; P31-I34 WeakPolarHBondContact O-CB 3.21Å; P31-I34 PolarHBondContact O-N 2.98Å; I34-L36 VanDerWaalsContact C-N 3.28Å; I34-L36 PolarHBondContact O-N 3.5Å; I34-L37 PolarHBondContact O-N 3.05Å; I34-L37 VanDerWaalsContact O-N 3.08Å; I34-V38 HydrophobicContact CG2-CG2 4.22Å; I34-V38 WeakPolarHBondContact O-CB 3.41Å; I34-V38 VanDerWaalsContact O-CG2 3.26Å; I34-V38 WeakPolarHBondContact O-CG2 3.35Å; I34-V38 PolarHBondContact O-N 2.9Å
35	D	93.8	Very high	93.5	Very high	65 Å²	65	45.2 Å²	45.2	35%	0.348	23%	0.225	S	C	.	.	H	α-helix	trans	-56	-43.9	174.7	-68.6	-44.7	0	0	0	111.4	P31 V38 F39 V57	P31-D35 PolarHBondContact O-N 2.91Å; D35-V38 PolarHBondContact O-N 3.24Å; D35-F39 VanDerWaalsContact O-CB 3.28Å; D35-F39 WeakPolarHBondContact O-CB 3.25Å; D35-F39 PolarHBondContact O-N 3.29Å; D35-V57 HydrophobicContact CB-CG1 4.1Å
36	L	95.8	Very high	93.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-44.5	175.2	-175	59.3	0	0	0	112	R32 I34 F39 F40 L53 V57 W58 I72 L75	R32-L36 VanDerWaalsContact O-CB 3.22Å; R32-L36 WeakPolarHBondContact O-CB 3.34Å; R32-L36 PolarHBondContact O-N 2.95Å; I34-L36 VanDerWaalsContact C-N 3.28Å; I34-L36 PolarHBondContact O-N 3.5Å; L36-F39 PolarHBondContact O-N 3.44Å; L36-F40 HydrophobicContact CD1-CD2 4.13Å; L36-F40 HydrophobicContact CD1-CE2 3.67Å; L36-F40 HydrophobicContact CG-CD2 4.08Å; L36-F40 HydrophobicContact CG-CE2 3.84Å; L36-F40 WeakPolarHBondContact O-CD2 3.47Å; L36-F40 PolarHBondContact O-N 3.17Å; L36-L53 HydrophobicContact CD1-CD1 4.48Å; L36-L53 HydrophobicContact CD1-CD2 3.85Å; L36-V57 HydrophobicContact CB-CG1 4.02Å; L36-V57 HydrophobicContact CD1-CG1 4.3Å; L36-V57 HydrophobicContact CD1-CG2 3.95Å; L36-W58 HydrophobicContact CD1-CH2 4.39Å; L36-W58 HydrophobicContact CD1-CZ3 4.39Å; L36-W58 HydrophobicContact CD2-CH2 4.43Å; L36-I72 HydrophobicContact CD1-CD1 4.43Å; L36-I72 HydrophobicContact CD2-CD1 4.03Å; L36-I72 HydrophobicContact CD2-CG1 4.44Å; L36-L75 HydrophobicContact CB-CD2 4.22Å; L36-L75 HydrophobicContact CD2-CD2 3.9Å; L36-L75 HydrophobicContact CG-CD2 3.85Å
37	L	96.6	Very high	94.1	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-67.8	-41.7	178.6	-176.2	57.7	0	0	0	112.4	V8 V13 I20 L33 I34 F40 A41 L75 L79	V8-L37 HydrophobicContact CB-CD1 4.46Å; V8-L37 HydrophobicContact CG1-CD1 4.01Å; V8-L37 HydrophobicContact CG2-CD1 4.37Å; V8-L37 HydrophobicContact CG2-CG 4.47Å; V13-L37 HydrophobicContact CG1-CD2 4.24Å; V13-L37 HydrophobicContact CG2-CD2 3.54Å; V13-L37 HydrophobicContact CG2-CG 4.2Å; I20-L37 HydrophobicContact CG2-CD2 3.97Å; L33-L37 VanDerWaalsContact O-CB 3.31Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 3.01Å; I34-L37 PolarHBondContact O-N 3.05Å; I34-L37 VanDerWaalsContact O-N 3.08Å; L37-F40 PolarHBondContact O-N 3.37Å; L37-A41 WeakPolarHBondContact O-CB 3.35Å; L37-A41 PolarHBondContact O-N 2.83Å; L37-L75 HydrophobicContact CB-CD1 4.13Å; L37-L75 HydrophobicContact CB-CD2 4.09Å; L37-L75 HydrophobicContact CD1-CD1 4.47Å; L37-L75 HydrophobicContact CD1-CD2 4.46Å; L37-L75 HydrophobicContact CD2-CD1 4.29Å; L37-L79 HydrophobicContact CD1-CD1 3.99Å; L37-L79 HydrophobicContact CD1-CD2 4.44Å; L37-L79 HydrophobicContact CD2-CD2 4.07Å
38	V	95.5	Very high	94.2	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-42.5	175.1	166.9	0	0	0	0	110.3	V13 P15 I34 D35 A41 Q42 W106	V13-V38 HydrophobicContact CG1-CG2 4.46Å; P15-V38 HydrophobicContact CB-CG2 4.1Å; P15-V38 HydrophobicContact CG-CG2 3.62Å; I34-V38 HydrophobicContact CG2-CG2 4.22Å; I34-V38 WeakPolarHBondContact O-CB 3.41Å; I34-V38 VanDerWaalsContact O-CG2 3.26Å; I34-V38 WeakPolarHBondContact O-CG2 3.35Å; I34-V38 PolarHBondContact O-N 2.9Å; D35-V38 PolarHBondContact O-N 3.24Å; V38-A41 WeakPolarHBondContact O-CB 3.3Å; V38-A41 PolarHBondContact O-N 2.83Å; V38-A41 VanDerWaalsContact O-N 3.14Å; V38-Q42 WeakPolarHBondContact O-CG 3.47Å; V38-Q42 PolarHBondContact O-N 2.92Å; V38-W106 HydrophobicContact CG1-CH2 4.16Å
39	F	95.7	Very high	94.2	Very high	18 Å²	18	35 Å²	35	8%	0.079	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-42.8	176.2	-171	-113.5	0	0	0	112.2	D35 L36 A41 Q42 H43 L48 L53 N56 V57	D35-F39 VanDerWaalsContact O-CB 3.28Å; D35-F39 WeakPolarHBondContact O-CB 3.25Å; D35-F39 PolarHBondContact O-N 3.29Å; L36-F39 PolarHBondContact O-N 3.44Å; F39-A41 PolarHBondContact O-N 2.81Å; F39-Q42 PolarHBondContact O-N 2.91Å; F39-H43 AromaticContact CD2-CD2 3.82Å; F39-H43 AromaticContact CE2-CD2 3.38Å; F39-H43 WeakPolarHBondContact CE2-CD2 3.27Å; F39-H43 AromaticContact CE2-NE2 3.36Å; F39-H43 WeakPolarHBondContact CE2-NE2 3.4Å; F39-H43 AromaticContact CZ-CD2 3.61Å; F39-H43 AromaticContact CZ-NE2 3.68Å; F39-H43 PolarHBondContact O-CD2 2.86Å; F39-H43 PolarHBondContact O-N 3.27Å; F39-L48 HydrophobicContact CD1-CD1 3.77Å; F39-L48 HydrophobicContact CE1-CD1 3.68Å; F39-L48 HydrophobicContact CE1-CD2 4.1Å; F39-L48 HydrophobicContact CE1-CG 4.46Å; F39-L48 HydrophobicContact CZ-CD2 4.46Å; F39-L53 HydrophobicContact CD1-CD2 3.81Å; F39-L53 HydrophobicContact CE1-CD2 4.03Å; F39-N56 HydrophobicContact CD1-CB 4.4Å; F39-N56 HydrophobicContact CD2-CB 4.13Å; F39-N56 HydrophobicContact CE1-CB 3.76Å; F39-N56 HydrophobicContact CE2-CB 3.45Å; F39-N56 VanDerWaalsContact CE2-CB 3.45Å; F39-N56 HydrophobicContact CZ-CB 3.25Å; F39-V57 HydrophobicContact CB-CG2 3.72Å; F39-V57 HydrophobicContact CD1-CG2 3.57Å; F39-V57 HydrophobicContact CE1-CG2 4.43Å; F39-V57 HydrophobicContact CG-CG2 3.77Å
40	F	96.8	Very high	94.1	Very high	2 Å²	2	38 Å²	38	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-59	-34.3	169.5	-86.7	-60.4	0	0	0	113.1	L36 L37 H43 S44 L48 L53 I72 L75 I90 L100	L36-F40 HydrophobicContact CD1-CD2 4.13Å; L36-F40 HydrophobicContact CD1-CE2 3.67Å; L36-F40 HydrophobicContact CG-CD2 4.08Å; L36-F40 HydrophobicContact CG-CE2 3.84Å; L36-F40 WeakPolarHBondContact O-CD2 3.47Å; L36-F40 PolarHBondContact O-N 3.17Å; L37-F40 PolarHBondContact O-N 3.37Å; F40-H43 CarbonylContact O-C 3.54Å; F40-S44 WeakPolarHBondContact O-CA 3.36Å; F40-S44 PolarHBondContact O-N 2.8Å; F40-L48 HydrophobicContact CD1-CD1 3.72Å; F40-L48 HydrophobicContact CE1-CB 4.43Å; F40-L48 HydrophobicContact CE1-CD1 3.84Å; F40-L48 HydrophobicContact CG-CD1 4.45Å; F40-L53 HydrophobicContact CE1-CD2 4.4Å; F40-L53 HydrophobicContact CE2-CD2 4.34Å; F40-L53 HydrophobicContact CZ-CD1 3.99Å; F40-L53 HydrophobicContact CZ-CD2 4.02Å; F40-I72 HydrophobicContact CE2-CD1 3.44Å; F40-I72 VanDerWaalsContact CE2-CD1 3.44Å; F40-I72 HydrophobicContact CZ-CD1 3.54Å; F40-L75 HydrophobicContact CD2-CD2 4.49Å; F40-I90 HydrophobicContact CD2-CD1 3.84Å; F40-I90 HydrophobicContact CE1-CG2 4.33Å; F40-I90 HydrophobicContact CE2-CD1 3.83Å; F40-I90 HydrophobicContact CE2-CG2 4.36Å; F40-I90 HydrophobicContact CZ-CG2 4.02Å; F40-L100 HydrophobicContact CB-CB 4.16Å; F40-L100 HydrophobicContact CB-CD1 4.28Å; F40-L100 HydrophobicContact CB-CD2 4.28Å; F40-L100 HydrophobicContact CB-CG 4.48Å; F40-L100 HydrophobicContact CD1-CB 4.23Å; F40-L100 WeakPolarHBondContact O-CD2 3.26Å
41	A	95.8	Very high	94.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-74.1	-33.8	178.4	0	0	0	0	0	112.5	V6 V8 L37 V38 F39 V104 W106	V6-A41 HydrophobicContact CG1-CB 4.49Å; V6-A41 HydrophobicContact CG2-CB 4.11Å; V8-A41 HydrophobicContact CG2-CB 3.87Å; L37-A41 WeakPolarHBondContact O-CB 3.35Å; L37-A41 PolarHBondContact O-N 2.83Å; V38-A41 WeakPolarHBondContact O-CB 3.3Å; V38-A41 PolarHBondContact O-N 2.83Å; V38-A41 VanDerWaalsContact O-N 3.14Å; F39-A41 PolarHBondContact O-N 2.81Å; A41-V104 HydrophobicContact CB-CG1 3.81Å; A41-V104 HydrophobicContact CB-CG2 4.26Å; A41-W106 HydrophobicContact CB-CH2 4.37Å; A41-W106 HydrophobicContact CB-CZ2 3.78Å
42	Q	94.1	Very high	94.1	Very high	113 Å²	113	39 Å²	39	53%	0.528	19%	0.193	S	C	.	.	H	α-helix	trans	-67.9	-38.3	173.7	-72.6	171.3	-12	0	0	111.1	V38 F39 W106	V38-Q42 WeakPolarHBondContact O-CG 3.47Å; V38-Q42 PolarHBondContact O-N 2.92Å; F39-Q42 PolarHBondContact O-N 2.91Å; Q42-W106 HydrophobicContact CB-CZ2 4.42Å; Q42-W106 HydrophobicContact CG-CH2 3.79Å; Q42-W106 HydrophobicContact CG-CZ2 3.57Å
43	H	94.9	Very high	94.1	Very high	62 Å²	62	35.6 Å²	35.6	29%	0.287	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	38.6	177.5	-68.2	-86.2	0	0	0	112.5	F39 F40 G45 E46 L48	F39-H43 AromaticContact CD2-CD2 3.82Å; F39-H43 AromaticContact CE2-CD2 3.38Å; F39-H43 WeakPolarHBondContact CE2-CD2 3.27Å; F39-H43 AromaticContact CE2-NE2 3.36Å; F39-H43 WeakPolarHBondContact CE2-NE2 3.4Å; F39-H43 AromaticContact CZ-CD2 3.61Å; F39-H43 AromaticContact CZ-NE2 3.68Å; F39-H43 PolarHBondContact O-CD2 2.86Å; F39-H43 PolarHBondContact O-N 3.27Å; F40-H43 CarbonylContact O-C 3.54Å; H43-G45 PolarHBondContact O-N 2.84Å; H43-E46 HydrophobicContact CB-CB 4.37Å; H43-E46 IonicContact CE1-OE2 3.35Å; H43-E46 IonicContact CG-OE2 3.21Å; H43-E46 IonicContact ND1-OE2 3.46Å; H43-E46 PolarHBondContact ND1-OE2 2.78Å; H43-E46 WeakPolarHBondContact O-CB 3.34Å; H43-E46 PolarHBondContact O-N 2.96Å; H43-L48 HydrophobicContact CB-CD1 4.04Å; H43-L48 HydrophobicContact CB-CD2 3.86Å; H43-L48 HydrophobicContact CB-CG 4.24Å
44	S	89.1	Confident	93.9	Very high	22 Å²	22	36.5 Å²	36.5	15%	0.154	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	129.5	-173.3	74.2	0	0	0	0	111.7	F40 E46	F40-S44 WeakPolarHBondContact O-CA 3.36Å; F40-S44 PolarHBondContact O-N 2.8Å; S44-E46 VanDerWaalsContact C-N 3.29Å; S44-E46 PolarHBondContact O-N 2.87Å
45	G	86.4	Confident	93.5	Very high	10 Å²	10	41.8 Å²	41.8	10%	0.103	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-8	-178.2	0	0	0	0	0	116.3	H43 K99	H43-G45 PolarHBondContact O-N 2.84Å; G45-K99 WeakPolarHBondContact O-CD 3.37Å; G45-K99 WeakPolarHBondContact O-CE 3.45Å; G45-K99 PolarHBondContact O-NZ 3.28Å
46	E	94.7	Very high	93.3	Very high	97 Å²	97	42 Å²	42	45%	0.453	21%	0.214	S	C	.	.	S	Bend	trans	-83.5	169.3	175.1	-57.6	-171	153.4	0	0	111.9	H43 S44 K99	H43-E46 HydrophobicContact CB-CB 4.37Å; H43-E46 IonicContact CE1-OE2 3.35Å; H43-E46 IonicContact CG-OE2 3.21Å; H43-E46 IonicContact ND1-OE2 3.46Å; H43-E46 PolarHBondContact ND1-OE2 2.78Å; H43-E46 WeakPolarHBondContact O-CB 3.34Å; H43-E46 PolarHBondContact O-N 2.96Å; S44-E46 VanDerWaalsContact C-N 3.29Å; S44-E46 PolarHBondContact O-N 2.87Å; E46-K99 WeakPolarHBondContact O-CA 3.49Å; E46-K99 VanDerWaalsContact O-CB 3.26Å; E46-K99 WeakPolarHBondContact O-CB 3.43Å; E46-K99 WeakPolarHBondContact O-CG 3.24Å
47	V	96.4	Very high	93.1	Very high	40 Å²	40	43 Å²	43	24%	0.242	22%	0.219	C	C	.	.			trans	-111.7	99.4	174.8	-176.7	0	0	0	0	108.3	V93 R96 Y98 K99	V47-V93 HydrophobicContact CG1-CB 3.76Å; V47-V93 HydrophobicContact CG1-CG1 4.12Å; V47-V93 HydrophobicContact CG1-CG2 3.76Å; V47-V93 HydrophobicContact CG2-CG2 4.02Å; V47-R96 HydrophobicContact CG1-CB 3.87Å; V47-Y98 CarbonylContact C-O 3.55Å; V47-Y98 WeakPolarHBondContact CA-O 3.48Å; V47-K99 HydrophobicContact CG2-CB 4.24Å; V47-K99 HydrophobicContact CG2-CD 4.09Å
48	L	96.4	Very high	92.6	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-82.6	122.5	179.9	-60.7	174.6	0	0	0	110.2	F39 F40 H43 L53 G97 Y98	F39-L48 HydrophobicContact CD1-CD1 3.77Å; F39-L48 HydrophobicContact CE1-CD1 3.68Å; F39-L48 HydrophobicContact CE1-CD2 4.1Å; F39-L48 HydrophobicContact CE1-CG 4.46Å; F39-L48 HydrophobicContact CZ-CD2 4.46Å; F40-L48 HydrophobicContact CD1-CD1 3.72Å; F40-L48 HydrophobicContact CE1-CB 4.43Å; F40-L48 HydrophobicContact CE1-CD1 3.84Å; F40-L48 HydrophobicContact CG-CD1 4.45Å; H43-L48 HydrophobicContact CB-CD1 4.04Å; H43-L48 HydrophobicContact CB-CD2 3.86Å; H43-L48 HydrophobicContact CB-CG 4.24Å; L48-L53 HydrophobicContact CB-CD2 3.94Å; L48-L53 HydrophobicContact CB-CG 4.07Å; L48-L53 HydrophobicContact CD1-CD2 3.72Å; L48-L53 HydrophobicContact CG-CD2 4.48Å; L48-G97 CarbonylContact O-C 3.26Å; L48-G97 VanDerWaalsContact O-CA 3.28Å; L48-G97 WeakPolarHBondContact O-CA 3.47Å; L48-Y98 PolarHBondContact N-O 2.97Å; L48-Y98 PolarHBondContact O-N 2.92Å
49	S	94.6	Very high	91.4	Very high	27 Å²	27	51.2 Å²	51.2	19%	0.189	25%	0.254	C	S	.	.			trans	-68.4	166.8	173.6	68.4	0	0	0	0	112.3	D51 E52 L53 R96	S49-D51 VanDerWaalsContact C-N 3.29Å; S49-D51 PolarHBondContact O-N 2.8Å; S49-E52 WeakPolarHBondContact CA-OE2 3.18Å; S49-E52 WeakPolarHBondContact CB-OE2 3.33Å; S49-E52 PolarHBondContact N-OE2 2.81Å; S49-E52 WeakPolarHBondContact OG-CB 3.26Å; S49-E52 VanDerWaalsContact OG-CD 3.31Å; S49-E52 VanDerWaalsContact OG-CG 3.28Å; S49-E52 WeakPolarHBondContact OG-CG 3.23Å; S49-E52 PolarHBondContact OG-N 3.46Å; S49-E52 VanDerWaalsContact OG-N 3.17Å; S49-E52 PolarHBondContact OG-OE2 2.85Å; S49-L53 VanDerWaalsContact O-CG 3.31Å; S49-L53 WeakPolarHBondContact O-CG 3.4Å; S49-L53 PolarHBondContact O-N 2.86Å; S49-L53 VanDerWaalsContact O-N 3.09Å; S49-R96 VanDerWaalsContact CA-O 3.29Å; S49-R96 WeakPolarHBondContact CA-O 3.42Å; S49-R96 WeakPolarHBondContact CB-O 3.41Å
50	R	92.3	Very high	89.7	Confident	80 Å²	80	56.7 Å²	56.7	30%	0.302	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-40.5	175.5	-75.2	-168	178.4	82.2	-1.8	111.3	L53 I54 N65 V68 Y98	R50-L53 PolarHBondContact O-N 2.9Å; R50-I54 VanDerWaalsContact O-CG1 3.24Å; R50-I54 WeakPolarHBondContact O-CG1 3.31Å; R50-I54 PolarHBondContact O-N 2.76Å; R50-N65 WeakPolarHBondContact CB-OD1 3.47Å; R50-N65 WeakPolarHBondContact CD-OD1 3.44Å; R50-V68 HydrophobicContact CG-CG1 4.36Å; R50-Y98 HydrophobicContact CG-CE2 3.97Å; R50-Y98 PolarHBondContact NE-OH 2.65Å; R50-Y98 PolarHBondContact NH2-OH 3.11Å
51	D	90.5	Very high	88.4	Confident	101 Å²	101	60 Å²	60	54%	0.54	30%	0.297	S	S	.	.	H	α-helix	trans	-68.9	-43.4	-177.4	-50.8	-37.7	0	0	0	110.3	S49 L53 I54 D55	S49-D51 VanDerWaalsContact C-N 3.29Å; S49-D51 PolarHBondContact O-N 2.8Å; D51-L53 VanDerWaalsContact C-N 3.32Å; D51-L53 PolarHBondContact O-N 2.9Å; D51-I54 WeakPolarHBondContact O-CB 3.18Å; D51-I54 PolarHBondContact O-N 3.47Å; D51-I54 VanDerWaalsContact O-N 3.14Å; D51-D55 WeakPolarHBondContact O-CB 3.35Å; D51-D55 PolarHBondContact O-N 2.7Å
52	E	91.9	Very high	87.1	Confident	88 Å²	88	66.2 Å²	66.2	41%	0.411	33%	0.329	S	S	.	.	H	α-helix	trans	-59	-39.7	172.2	-73.9	162	129.9	0	0	112.8	S49 N56	S49-E52 WeakPolarHBondContact CA-OE2 3.18Å; S49-E52 WeakPolarHBondContact CB-OE2 3.33Å; S49-E52 PolarHBondContact N-OE2 2.81Å; S49-E52 WeakPolarHBondContact OG-CB 3.26Å; S49-E52 VanDerWaalsContact OG-CD 3.31Å; S49-E52 VanDerWaalsContact OG-CG 3.28Å; S49-E52 WeakPolarHBondContact OG-CG 3.23Å; S49-E52 PolarHBondContact OG-N 3.46Å; S49-E52 VanDerWaalsContact OG-N 3.17Å; S49-E52 PolarHBondContact OG-OE2 2.85Å; E52-N56 WeakPolarHBondContact O-CB 3.44Å; E52-N56 PolarHBondContact O-N 2.84Å; E52-N56 VanDerWaalsContact O-N 3.11Å; E52-N56 PolarHBondContact O-ND2 3.32Å
53	L	93.3	Very high	86.2	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-44.1	174.8	-71	177.8	0	0	0	111.5	L36 F39 F40 L48 S49 R50 D51 V57 W58 V68 I72 Y98	L36-L53 HydrophobicContact CD1-CD1 4.48Å; L36-L53 HydrophobicContact CD1-CD2 3.85Å; F39-L53 HydrophobicContact CD1-CD2 3.81Å; F39-L53 HydrophobicContact CE1-CD2 4.03Å; F40-L53 HydrophobicContact CE1-CD2 4.4Å; F40-L53 HydrophobicContact CE2-CD2 4.34Å; F40-L53 HydrophobicContact CZ-CD1 3.99Å; F40-L53 HydrophobicContact CZ-CD2 4.02Å; L48-L53 HydrophobicContact CB-CD2 3.94Å; L48-L53 HydrophobicContact CB-CG 4.07Å; L48-L53 HydrophobicContact CD1-CD2 3.72Å; L48-L53 HydrophobicContact CG-CD2 4.48Å; S49-L53 VanDerWaalsContact O-CG 3.31Å; S49-L53 WeakPolarHBondContact O-CG 3.4Å; S49-L53 PolarHBondContact O-N 2.86Å; S49-L53 VanDerWaalsContact O-N 3.09Å; R50-L53 PolarHBondContact O-N 2.9Å; D51-L53 VanDerWaalsContact C-N 3.32Å; D51-L53 PolarHBondContact O-N 2.9Å; L53-V57 HydrophobicContact CD2-CG2 4.42Å; L53-V57 VanDerWaalsContact O-CB 3.26Å; L53-V57 WeakPolarHBondContact O-CB 3.45Å; L53-V57 PolarHBondContact O-N 3.2Å; L53-W58 HydrophobicContact CB-CZ3 4.23Å; L53-W58 VanDerWaalsContact O-CE3 3.3Å; L53-V68 HydrophobicContact CB-CG1 4.4Å; L53-V68 HydrophobicContact CD1-CG1 4.08Å; L53-I72 HydrophobicContact CD1-CD1 4.24Å; L53-Y98 HydrophobicContact CD1-CD2 3.61Å; L53-Y98 HydrophobicContact CD1-CE2 4.25Å
54	I	90.3	Very high	85.5	Confident	26 Å²	26	63 Å²	63	13%	0.133	32%	0.322	C	S	.	.	I	π-helix	trans	-57.8	-54.9	176.1	-68.9	170.7	0	0	0	110.1	R50 D51 N56 W58 K59 V63 V68	R50-I54 VanDerWaalsContact O-CG1 3.24Å; R50-I54 WeakPolarHBondContact O-CG1 3.31Å; R50-I54 PolarHBondContact O-N 2.76Å; D51-I54 WeakPolarHBondContact O-CB 3.18Å; D51-I54 PolarHBondContact O-N 3.47Å; D51-I54 VanDerWaalsContact O-N 3.14Å; I54-N56 VanDerWaalsContact C-N 3.29Å; I54-N56 PolarHBondContact O-N 2.87Å; I54-W58 WeakPolarHBondContact O-CA 3.43Å; I54-W58 WeakPolarHBondContact O-CB 3.4Å; I54-W58 PolarHBondContact O-N 3.35Å; I54-K59 PolarHBondContact O-N 3.34Å; I54-V63 HydrophobicContact CB-CG2 4.21Å; I54-V63 HydrophobicContact CD1-CG2 4.38Å; I54-V63 HydrophobicContact CG1-CG2 3.77Å; I54-V63 HydrophobicContact CG2-CG2 3.74Å; I54-V68 HydrophobicContact CD1-CG2 3.83Å; I54-V68 HydrophobicContact CG1-CG2 3.43Å; I54-V68 VanDerWaalsContact CG1-CG2 3.43Å
55	D	88.3	Confident	85.4	Confident	112 Å²	112	66 Å²	66	60%	0.599	34%	0.336	S	S	*	.	I	π-helix	trans	-64.4	-31.1	-174	-69.8	-12	0	0	0	112.9	D51 K59	D51-D55 WeakPolarHBondContact O-CB 3.35Å; D51-D55 PolarHBondContact O-N 2.7Å; D55-K59 WeakPolarHBondContact O-CA 3.14Å
56	N	90.4	Very high	85.4	Confident	71 Å²	71	72 Å²	72	38%	0.38	36%	0.361	S	S	.	.	I	π-helix	trans	-105.9	-26	-173.8	-67.3	-81.7	0	0	0	115.4	F39 E52 I54 K59	F39-N56 HydrophobicContact CD1-CB 4.4Å; F39-N56 HydrophobicContact CD2-CB 4.13Å; F39-N56 HydrophobicContact CE1-CB 3.76Å; F39-N56 HydrophobicContact CE2-CB 3.45Å; F39-N56 VanDerWaalsContact CE2-CB 3.45Å; F39-N56 HydrophobicContact CZ-CB 3.25Å; E52-N56 WeakPolarHBondContact O-CB 3.44Å; E52-N56 PolarHBondContact O-N 2.84Å; E52-N56 VanDerWaalsContact O-N 3.11Å; E52-N56 PolarHBondContact O-ND2 3.32Å; I54-N56 VanDerWaalsContact C-N 3.29Å; I54-N56 PolarHBondContact O-N 2.87Å; N56-K59 WeakPolarHBondContact O-CE 3.31Å; N56-K59 VanDerWaalsContact O-CG 3.26Å; N56-K59 WeakPolarHBondContact O-CG 3.47Å
57	V	90.2	Very high	85.2	Confident	19 Å²	19	69 Å²	69	12%	0.115	35%	0.349	C	S	.	.	I	π-helix	trans	-97.7	-39.8	177.9	-179.5	0	0	0	0	110.8	D35 L36 F39 L53	D35-V57 HydrophobicContact CB-CG1 4.1Å; L36-V57 HydrophobicContact CB-CG1 4.02Å; L36-V57 HydrophobicContact CD1-CG1 4.3Å; L36-V57 HydrophobicContact CD1-CG2 3.95Å; F39-V57 HydrophobicContact CB-CG2 3.72Å; F39-V57 HydrophobicContact CD1-CG2 3.57Å; F39-V57 HydrophobicContact CE1-CG2 4.43Å; F39-V57 HydrophobicContact CG-CG2 3.77Å; L53-V57 HydrophobicContact CD2-CG2 4.42Å; L53-V57 VanDerWaalsContact O-CB 3.26Å; L53-V57 WeakPolarHBondContact O-CB 3.45Å; L53-V57 PolarHBondContact O-N 3.2Å
58	W	88	Confident	85	Confident	21 Å²	21	67 Å²	67	8%	0.08	34%	0.338	C	S	.	.	I	π-helix	trans	-92.1	-18.3	178.4	-73.2	-88.5	0	0	0	113.7	R32 L36 L53 I54 R60 S61 V63 V67 V68	R32-W58 VanDerWaalsContact CD-NE1 3.27Å; R32-W58 HydrophobicContact CG-CZ2 4.09Å; L36-W58 HydrophobicContact CD1-CH2 4.39Å; L36-W58 HydrophobicContact CD1-CZ3 4.39Å; L36-W58 HydrophobicContact CD2-CH2 4.43Å; L53-W58 HydrophobicContact CB-CZ3 4.23Å; L53-W58 VanDerWaalsContact O-CE3 3.3Å; I54-W58 WeakPolarHBondContact O-CA 3.43Å; I54-W58 WeakPolarHBondContact O-CB 3.4Å; I54-W58 PolarHBondContact O-N 3.35Å; W58-R60 PolarHBondContact O-N 2.75Å; W58-S61 PolarHBondContact O-N 2.99Å; W58-V63 HydrophobicContact CB-CG1 4.45Å; W58-V63 HydrophobicContact CB-CG2 3.78Å; W58-V63 VanDerWaalsContact CD1-CG1 3.42Å; W58-V63 HydrophobicContact CD2-CG1 4.44Å; W58-V63 HydrophobicContact CD2-CG2 3.84Å; W58-V63 HydrophobicContact CE3-CG2 4.34Å; W58-V63 HydrophobicContact CG-CB 4.33Å; W58-V63 HydrophobicContact CG-CG1 3.86Å; W58-V63 HydrophobicContact CG-CG2 3.58Å; W58-V67 HydrophobicContact CZ2-CG1 4.41Å; W58-V68 HydrophobicContact CH2-CB 4.37Å; W58-V68 HydrophobicContact CH2-CG1 4.32Å; W58-V68 HydrophobicContact CH2-CG2 4.18Å; W58-V68 HydrophobicContact CZ3-CG1 4.36Å; W58-V68 HydrophobicContact CZ3-CG2 4.06Å
59	K	69.2	Low	84.9	Confident	162 Å²	162	69.5 Å²	69.5	70%	0.704	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	-40.8	169	-64.5	-168.9	-179.1	179.9	0	119.2	I54 D55 N56	I54-K59 PolarHBondContact O-N 3.34Å; D55-K59 WeakPolarHBondContact O-CA 3.14Å; N56-K59 WeakPolarHBondContact O-CE 3.31Å; N56-K59 VanDerWaalsContact O-CG 3.26Å; N56-K59 WeakPolarHBondContact O-CG 3.47Å
60	R	60.2	Low	84.9	Confident	133 Å²	133	72.3 Å²	72.3	50%	0.502	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.7	-5.2	-178.5	-63.8	-176.5	170.3	137.6	-8	113.5	W58 M448	W58-R60 PolarHBondContact O-N 2.75Å; R60-M448 VanDerWaalsContact NH1-CE 3.29Å; R60-M448 PolarHBondContact NH1-SD 3.46Å; R60-M448 PolarHBondContact NH2-SD 3.24Å
61	S	69.7	Low	85	Confident	70 Å²	70	68.5 Å²	68.5	49%	0.49	35%	0.349	S	S	.	.	S	Bend	trans	-88.6	130.5	175.8	-47.3	0	0	0	0	112.3	W58 V63	W58-S61 PolarHBondContact O-N 2.99Å; S61-V63 PolarHBondContact O-N 3.46Å
62	I	67.4	Low	85.3	Confident	132 Å²	132	63.7 Å²	63.7	68%	0.677	32%	0.323	S	S	*	.			trans	-71.1	96.3	169.4	-48.1	164.9	0	0	0	108.8	S252	I62-S252 VanDerWaalsContact CD1-OG 3.27Å; I62-S252 WeakPolarHBondContact CD1-OG 3.47Å
63	V	76.6	Confident	85.5	Confident	25 Å²	25	62.3 Å²	62.3	15%	0.152	32%	0.323	C	S	.	.			trans	-106.5	139.8	175.2	-74.3	0	0	0	0	111.7	I54 W58 S61 V67	I54-V63 HydrophobicContact CB-CG2 4.21Å; I54-V63 HydrophobicContact CD1-CG2 4.38Å; I54-V63 HydrophobicContact CG1-CG2 3.77Å; I54-V63 HydrophobicContact CG2-CG2 3.74Å; W58-V63 HydrophobicContact CB-CG1 4.45Å; W58-V63 HydrophobicContact CB-CG2 3.78Å; W58-V63 VanDerWaalsContact CD1-CG1 3.42Å; W58-V63 HydrophobicContact CD2-CG1 4.44Å; W58-V63 HydrophobicContact CD2-CG2 3.84Å; W58-V63 HydrophobicContact CE3-CG2 4.34Å; W58-V63 HydrophobicContact CG-CB 4.33Å; W58-V63 HydrophobicContact CG-CG1 3.86Å; W58-V63 HydrophobicContact CG-CG2 3.58Å; S61-V63 PolarHBondContact O-N 3.46Å; V63-V67 HydrophobicContact CB-CB 4.12Å; V63-V67 HydrophobicContact CB-CG1 4.2Å; V63-V67 HydrophobicContact CG1-CB 4.32Å; V63-V67 HydrophobicContact CG1-CG1 3.92Å
64	T	80.7	Confident	85.6	Confident	83 Å²	83	64.8 Å²	64.8	51%	0.509	34%	0.335	S	S	.	.			trans	-80.6	157.1	175	67	0	0	0	0	110.6	H66 V67 V68	T64-H66 PolarHBondContact O-N 2.94Å; T64-H66 PolarHBondContact OG1-N 3.02Å; T64-V67 WeakPolarHBondContact O-CB 3.31Å; T64-V67 PolarHBondContact O-N 3.37Å; T64-V68 PolarHBondContact O-N 3.29Å
65	N	85.2	Confident	85.9	Confident	85 Å²	85	63.6 Å²	63.6	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-51.6	-23	169.9	-82.2	-58.5	0	0	0	114	R50 T69	R50-N65 WeakPolarHBondContact CB-OD1 3.47Å; R50-N65 WeakPolarHBondContact CD-OD1 3.44Å; N65-T69 WeakPolarHBondContact O-CB 3.47Å; N65-T69 PolarHBondContact O-N 3.03Å; N65-T69 PolarHBondContact O-OG1 3.46Å
66	H	87.7	Confident	86.3	Confident	134 Å²	134	61.6 Å²	61.6	62%	0.62	31%	0.312	S	S	*	.	H	α-helix	trans	-70.1	-45.4	173.4	-175.5	63.2	0	0	0	111.9	T64 V68 T69 Q70	T64-H66 PolarHBondContact O-N 2.94Å; T64-H66 PolarHBondContact OG1-N 3.02Å; H66-V68 PolarHBondContact O-N 2.88Å; H66-T69 PolarHBondContact O-N 3.16Å; H66-T69 VanDerWaalsContact O-N 3.11Å; H66-Q70 PolarHBondContact O-N 3.2Å
67	V	90.1	Very high	86.5	Confident	34 Å²	34	63.3 Å²	63.3	21%	0.206	32%	0.322	C	S	.	.	H	α-helix	trans	-59.3	-47	177.9	178.5	0	0	0	0	110.8	W58 V63 T64 T69 Q70 S71	W58-V67 HydrophobicContact CZ2-CG1 4.41Å; V63-V67 HydrophobicContact CB-CB 4.12Å; V63-V67 HydrophobicContact CB-CG1 4.2Å; V63-V67 HydrophobicContact CG1-CB 4.32Å; V63-V67 HydrophobicContact CG1-CG1 3.92Å; T64-V67 WeakPolarHBondContact O-CB 3.31Å; T64-V67 PolarHBondContact O-N 3.37Å; V67-T69 VanDerWaalsContact C-N 3.29Å; V67-T69 PolarHBondContact O-N 3.37Å; V67-Q70 PolarHBondContact O-N 2.79Å; V67-S71 PolarHBondContact O-N 3.02Å; V67-S71 PolarHBondContact O-OG 3.37Å
68	V	93.1	Very high	86.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-57.3	-44.8	175.2	-176.3	0	0	0	0	111	R50 L53 I54 W58 T64 H66 Q70 S71 I72 Y98	R50-V68 HydrophobicContact CG-CG1 4.36Å; L53-V68 HydrophobicContact CB-CG1 4.4Å; L53-V68 HydrophobicContact CD1-CG1 4.08Å; I54-V68 HydrophobicContact CD1-CG2 3.83Å; I54-V68 HydrophobicContact CG1-CG2 3.43Å; I54-V68 VanDerWaalsContact CG1-CG2 3.43Å; W58-V68 HydrophobicContact CH2-CB 4.37Å; W58-V68 HydrophobicContact CH2-CG1 4.32Å; W58-V68 HydrophobicContact CH2-CG2 4.18Å; W58-V68 HydrophobicContact CZ3-CG1 4.36Å; W58-V68 HydrophobicContact CZ3-CG2 4.06Å; T64-V68 PolarHBondContact O-N 3.29Å; H66-V68 PolarHBondContact O-N 2.88Å; V68-Q70 VanDerWaalsContact C-N 3.34Å; V68-Q70 PolarHBondContact O-N 3.08Å; V68-S71 PolarHBondContact O-N 3.39Å; V68-I72 HydrophobicContact CG1-CG1 4.43Å; V68-I72 WeakPolarHBondContact O-CB 3.41Å; V68-I72 WeakPolarHBondContact O-CG1 3.28Å; V68-I72 PolarHBondContact O-N 3.02Å; V68-Y98 HydrophobicContact CG1-CE2 4.25Å
69	T	93.6	Very high	87	Confident	57 Å²	57	62.9 Å²	62.9	35%	0.35	32%	0.323	S	S	.	.	H	α-helix	trans	-66.9	-36.4	-179.2	-56.8	0	0	0	0	111.8	N65 H66 V67 S73 Y98	N65-T69 WeakPolarHBondContact O-CB 3.47Å; N65-T69 PolarHBondContact O-N 3.03Å; N65-T69 PolarHBondContact O-OG1 3.46Å; H66-T69 PolarHBondContact O-N 3.16Å; H66-T69 VanDerWaalsContact O-N 3.11Å; V67-T69 VanDerWaalsContact C-N 3.29Å; V67-T69 PolarHBondContact O-N 3.37Å; T69-S73 PolarHBondContact O-N 2.85Å; T69-S73 VanDerWaalsContact O-N 3.17Å; T69-Y98 PolarHBondContact OG1-OH 3.46Å
70	Q	94.2	Very high	88	Confident	86 Å²	86	59.1 Å²	59.1	40%	0.402	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-51.7	173.9	177.7	177.7	-13.9	0	0	111.3	H66 V67 V68 I72 S73 E74	H66-Q70 PolarHBondContact O-N 3.2Å; V67-Q70 PolarHBondContact O-N 2.79Å; V68-Q70 VanDerWaalsContact C-N 3.34Å; V68-Q70 PolarHBondContact O-N 3.08Å; Q70-I72 VanDerWaalsContact C-N 3.3Å; Q70-I72 PolarHBondContact O-N 2.87Å; Q70-S73 CarbonylContact O-C 3.59Å; Q70-S73 WeakPolarHBondContact O-CA 3.47Å; Q70-S73 VanDerWaalsContact O-CB 3.23Å; Q70-S73 WeakPolarHBondContact O-CB 3.4Å; Q70-S73 PolarHBondContact O-N 3.31Å; Q70-E74 HydrophobicContact CG-CG 4.36Å; Q70-E74 VanDerWaalsContact CG-OE1 3.26Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.42Å; Q70-E74 PolarHBondContact NE2-OE1 3.04Å; Q70-E74 WeakPolarHBondContact O-CG 3.26Å; Q70-E74 PolarHBondContact O-N 2.96Å
71	S	95.2	Very high	89.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-33.5	179.9	-62.9	0	0	0	0	113.1	L33 V67 V68 S73 E74 L75	L33-S71 WeakPolarHBondContact CD2-O 3.35Å; V67-S71 PolarHBondContact O-N 3.02Å; V67-S71 PolarHBondContact O-OG 3.37Å; V68-S71 PolarHBondContact O-N 3.39Å; S71-S73 VanDerWaalsContact C-N 3.33Å; S71-E74 PolarHBondContact O-N 2.91Å; S71-L75 VanDerWaalsContact O-CB 3.27Å; S71-L75 WeakPolarHBondContact O-CB 3.48Å; S71-L75 PolarHBondContact O-N 3.32Å
72	I	96.5	Very high	90	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-37.2	169.5	-67.9	-75	0	0	0	111.7	L36 F40 L53 V68 Q70 R76 I90 Y98	L36-I72 HydrophobicContact CD1-CD1 4.43Å; L36-I72 HydrophobicContact CD2-CD1 4.03Å; L36-I72 HydrophobicContact CD2-CG1 4.44Å; F40-I72 HydrophobicContact CE2-CD1 3.44Å; F40-I72 VanDerWaalsContact CE2-CD1 3.44Å; F40-I72 HydrophobicContact CZ-CD1 3.54Å; L53-I72 HydrophobicContact CD1-CD1 4.24Å; V68-I72 HydrophobicContact CG1-CG1 4.43Å; V68-I72 WeakPolarHBondContact O-CB 3.41Å; V68-I72 WeakPolarHBondContact O-CG1 3.28Å; V68-I72 PolarHBondContact O-N 3.02Å; Q70-I72 VanDerWaalsContact C-N 3.3Å; Q70-I72 PolarHBondContact O-N 2.87Å; I72-R76 WeakPolarHBondContact O-CB 3.34Å; I72-R76 WeakPolarHBondContact O-CD 3.2Å; I72-R76 WeakPolarHBondContact O-CG 3.46Å; I72-R76 PolarHBondContact O-N 2.85Å; I72-I90 HydrophobicContact CD1-CG2 4.49Å; I72-Y98 HydrophobicContact CB-CE1 4.31Å; I72-Y98 HydrophobicContact CD1-CD1 4.37Å; I72-Y98 HydrophobicContact CD1-CD2 4.13Å; I72-Y98 HydrophobicContact CD1-CE2 4.46Å; I72-Y98 HydrophobicContact CD1-CG 4.05Å; I72-Y98 HydrophobicContact CG1-CD1 4.38Å; I72-Y98 HydrophobicContact CG1-CD2 4.15Å; I72-Y98 HydrophobicContact CG1-CE1 4.23Å; I72-Y98 HydrophobicContact CG1-CE2 3.98Å; I72-Y98 HydrophobicContact CG1-CG 4.33Å; I72-Y98 HydrophobicContact CG2-CD1 3.85Å; I72-Y98 HydrophobicContact CG2-CE1 3.67Å
73	S	96.1	Very high	90.9	Very high	59 Å²	59	53.7 Å²	53.7	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-69.1	-43.8	176.8	-163.6	0	0	0	0	111.7	T69 Q70 S71 R76 N77	T69-S73 PolarHBondContact O-N 2.85Å; T69-S73 VanDerWaalsContact O-N 3.17Å; Q70-S73 CarbonylContact O-C 3.59Å; Q70-S73 WeakPolarHBondContact O-CA 3.47Å; Q70-S73 VanDerWaalsContact O-CB 3.23Å; Q70-S73 WeakPolarHBondContact O-CB 3.4Å; Q70-S73 PolarHBondContact O-N 3.31Å; S71-S73 VanDerWaalsContact C-N 3.33Å; S73-R76 PolarHBondContact O-N 3.21Å; S73-N77 PolarHBondContact O-N 3.29Å; S73-N77 PolarHBondContact O-ND2 2.91Å
74	E	96.1	Very high	91.1	Very high	52 Å²	52	60.3 Å²	60.3	24%	0.243	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-51	175.6	-70.5	163	170.9	0	0	110.9	R32 L33 Q70 S71 R76 N77 S78	R32-E74 IonicContact NH2-OE2 2.71Å; L33-E74 HydrophobicContact CD1-CB 3.99Å; L33-E74 HydrophobicContact CD2-CB 4.21Å; Q70-E74 HydrophobicContact CG-CG 4.36Å; Q70-E74 VanDerWaalsContact CG-OE1 3.26Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.42Å; Q70-E74 PolarHBondContact NE2-OE1 3.04Å; Q70-E74 WeakPolarHBondContact O-CG 3.26Å; Q70-E74 PolarHBondContact O-N 2.96Å; S71-E74 PolarHBondContact O-N 2.91Å; E74-R76 VanDerWaalsContact C-N 3.34Å; E74-R76 PolarHBondContact O-N 3.41Å; E74-N77 PolarHBondContact O-N 2.74Å; E74-N77 VanDerWaalsContact O-N 3.11Å; E74-S78 PolarHBondContact O-N 3.47Å; E74-S78 PolarHBondContact O-OG 3.14Å
75	L	96.5	Very high	91.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-40.7	177.7	-178.5	56.2	0	0	0	112.3	L29 L33 L36 L37 F40 S71 S78 L79 I90	L29-L75 HydrophobicContact CD1-CD1 4.21Å; L33-L75 HydrophobicContact CB-CD1 4.47Å; L33-L75 HydrophobicContact CD2-CB 4.32Å; L36-L75 HydrophobicContact CB-CD2 4.22Å; L36-L75 HydrophobicContact CD2-CD2 3.9Å; L36-L75 HydrophobicContact CG-CD2 3.85Å; L37-L75 HydrophobicContact CB-CD1 4.13Å; L37-L75 HydrophobicContact CB-CD2 4.09Å; L37-L75 HydrophobicContact CD1-CD1 4.47Å; L37-L75 HydrophobicContact CD1-CD2 4.46Å; L37-L75 HydrophobicContact CD2-CD1 4.29Å; F40-L75 HydrophobicContact CD2-CD2 4.49Å; S71-L75 VanDerWaalsContact O-CB 3.27Å; S71-L75 WeakPolarHBondContact O-CB 3.48Å; S71-L75 PolarHBondContact O-N 3.32Å; L75-S78 PolarHBondContact O-N 2.96Å; L75-L79 HydrophobicContact CD1-CD1 3.82Å; L75-L79 HydrophobicContact CD1-CG 4Å; L75-L79 HydrophobicContact CG-CD1 3.85Å; L75-L79 HydrophobicContact CG-CG 4.44Å; L75-L79 WeakPolarHBondContact O-CB 2.99Å; L75-L79 VanDerWaalsContact O-CG 3.25Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.37Å; L75-I90 HydrophobicContact CD2-CD1 3.56Å; L75-I90 HydrophobicContact CG-CD1 3.94Å
76	R	96	Very high	91.4	Very high	70 Å²	70	60.4 Å²	60.4	26%	0.264	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-43.9	173.3	-80.6	170.2	172.1	154.8	1.4	112.5	I72 S73 E74 L79 K80 I90 A91 T92	I72-R76 WeakPolarHBondContact O-CB 3.34Å; I72-R76 WeakPolarHBondContact O-CD 3.2Å; I72-R76 WeakPolarHBondContact O-CG 3.46Å; I72-R76 PolarHBondContact O-N 2.85Å; S73-R76 PolarHBondContact O-N 3.21Å; E74-R76 VanDerWaalsContact C-N 3.34Å; E74-R76 PolarHBondContact O-N 3.41Å; R76-L79 PolarHBondContact O-N 3.06Å; R76-K80 VanDerWaalsContact O-CB 3.29Å; R76-K80 WeakPolarHBondContact O-CB 3.22Å; R76-K80 PolarHBondContact O-N 2.9Å; R76-I90 HydrophobicContact CG-CB 4.36Å; R76-I90 VanDerWaalsContact CZ-O 3.23Å; R76-I90 PolarHBondContact NE-O 3.07Å; R76-I90 PolarHBondContact NH2-O 3.39Å; R76-A91 VanDerWaalsContact NH2-C 3.26Å; R76-T92 PolarHBondContact NH1-OG1 3.02Å; R76-T92 VanDerWaalsContact NH2-N 3.1Å; R76-T92 PolarHBondContact NH2-OG1 3.3Å
77	N	94.3	Very high	91.4	Very high	107 Å²	107	57 Å²	57	57%	0.572	30%	0.301	S	S	*	.	H	α-helix	trans	-64.7	-42.4	178.6	-70.1	-16.6	0	0	0	111	S73 E74 K80 D81	S73-N77 PolarHBondContact O-N 3.29Å; S73-N77 PolarHBondContact O-ND2 2.91Å; E74-N77 PolarHBondContact O-N 2.74Å; E74-N77 VanDerWaalsContact O-N 3.11Å; N77-K80 PolarHBondContact O-N 3.4Å; N77-D81 PolarHBondContact O-N 3.4Å
78	S	94.1	Very high	91.5	Very high	31 Å²	31	60.5 Å²	60.5	22%	0.217	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-37.7	175.6	-64.6	0	0	0	0	113.6	L27 E74 L75	L27-S78 WeakPolarHBondContact CD1-O 3.38Å; E74-S78 PolarHBondContact O-N 3.47Å; E74-S78 PolarHBondContact O-OG 3.14Å; L75-S78 PolarHBondContact O-N 2.96Å
79	L	94.2	Very high	91.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-77.5	-30.4	177.6	-68.8	168.7	0	0	0	113	W11 I20 L37 L75 R76 Y89 I90	W11-L79 HydrophobicContact CG-CD2 4.04Å; W11-L79 PolarHBondContact NE1-O 3.01Å; I20-L79 HydrophobicContact CD1-CD2 4.06Å; L37-L79 HydrophobicContact CD1-CD1 3.99Å; L37-L79 HydrophobicContact CD1-CD2 4.44Å; L37-L79 HydrophobicContact CD2-CD2 4.07Å; L75-L79 HydrophobicContact CD1-CD1 3.82Å; L75-L79 HydrophobicContact CD1-CG 4Å; L75-L79 HydrophobicContact CG-CD1 3.85Å; L75-L79 HydrophobicContact CG-CG 4.44Å; L75-L79 WeakPolarHBondContact O-CB 2.99Å; L75-L79 VanDerWaalsContact O-CG 3.25Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.37Å; R76-L79 PolarHBondContact O-N 3.06Å; L79-Y89 HydrophobicContact CB-CD1 4.35Å; L79-Y89 HydrophobicContact CB-CD2 3.87Å; L79-Y89 HydrophobicContact CB-CE2 4.41Å; L79-Y89 HydrophobicContact CB-CG 3.86Å; L79-Y89 HydrophobicContact CD1-CD1 4.08Å; L79-Y89 HydrophobicContact CD1-CG 3.97Å; L79-Y89 HydrophobicContact CD2-CD1 4.26Å; L79-Y89 HydrophobicContact CD2-CE1 4.47Å; L79-Y89 HydrophobicContact CG-CD1 4.47Å; L79-Y89 HydrophobicContact CG-CG 4.37Å; L79-I90 HydrophobicContact CD1-CD1 4.35Å
80	K	91.6	Very high	91.8	Very high	84 Å²	84	58.2 Å²	58.2	37%	0.365	31%	0.307	S	S	.	.	H	α-helix	trans	-73.6	-38	172.4	-172.5	179.2	-179.6	-172.6	0	111.5	R22 R76 N77 N82 D83	R22-K80 PolarHBondContact NH2-O 2.83Å; R76-K80 VanDerWaalsContact O-CB 3.29Å; R76-K80 WeakPolarHBondContact O-CB 3.22Å; R76-K80 PolarHBondContact O-N 2.9Å; N77-K80 PolarHBondContact O-N 3.4Å; K80-N82 VanDerWaalsContact C-N 3.27Å; K80-N82 PolarHBondContact O-N 3.49Å; K80-D83 WeakPolarHBondContact CE-O 3.47Å; K80-D83 WeakPolarHBondContact CG-O 3.26Å; K80-D83 WeakPolarHBondContact O-CB 3.28Å; K80-D83 PolarHBondContact O-N 3.34Å
81	D	88.2	Confident	91.9	Very high	11 Å²	11	55.3 Å²	55.3	6%	0.059	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	36.8	168.5	-171.1	28.4	0	0	0	114.8	W11 R25 L27 N77 D83	W11-D81 HydrophobicContact CH2-CB 4.15Å; W11-D81 WeakPolarHBondContact CH2-OD2 3.31Å; W11-D81 HydrophobicContact CZ2-CB 3.69Å; R25-D81 WeakPolarHBondContact CD-OD2 3.35Å; R25-D81 IonicContact CZ-OD1 2.65Å; R25-D81 IonicContact CZ-OD2 2.88Å; R25-D81 IonicContact NE-OD1 3.99Å; R25-D81 IonicContact NE-OD2 3.41Å; R25-D81 PolarHBondContact NE-OD2 3.09Å; R25-D81 PolarHBondContact NH1-O 3Å; R25-D81 IonicContact NH1-OD1 2.68Å; R25-D81 PolarHBondContact NH1-OD1 3.33Å; R25-D81 VanDerWaalsContact NH1-OD1 3.11Å; R25-D81 IonicContact NH1-OD2 3.97Å; R25-D81 PolarHBondContact NH1-OD2 2.99Å; R25-D81 IonicContact NH2-OD1 2.81Å; R25-D81 PolarHBondContact NH2-OD1 3.48Å; R25-D81 IonicContact NH2-OD2 2.76Å; L27-D81 HydrophobicContact CD1-CB 4.28Å; N77-D81 PolarHBondContact O-N 3.4Å; D81-D83 PolarHBondContact O-N 2.86Å
82	N	82.7	Confident	92	Very high	153 Å²	153	58.8 Å²	58.8	82%	0.818	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	13.4	-174.4	-57.1	-40.3	0	0	0	115.9	K80	K80-N82 VanDerWaalsContact C-N 3.27Å; K80-N82 PolarHBondContact O-N 3.49Å
83	D	86.1	Confident	91.9	Very high	56 Å²	56	60.5 Å²	60.5	30%	0.299	33%	0.329	S	S	.	.			trans	-91.2	122	170.8	168.4	26.3	0	0	0	110.1	R22 K80 D81 D85 S86	R22-D83 IonicContact NH1-OD2 2.66Å; R22-D83 IonicContact NH2-OD2 3.24Å; K80-D83 WeakPolarHBondContact CE-O 3.47Å; K80-D83 WeakPolarHBondContact CG-O 3.26Å; K80-D83 WeakPolarHBondContact O-CB 3.28Å; K80-D83 PolarHBondContact O-N 3.34Å; D81-D83 PolarHBondContact O-N 2.86Å; D83-D85 PolarHBondContact OD1-N 2.76Å; D83-S86 WeakPolarHBondContact OD2-CB 3.29Å; D83-S86 PolarHBondContact OD2-N 3.49Å; D83-S86 PolarHBondContact OD2-OG 2.89Å
84	E	82	Confident	91.7	Very high	165 Å²	165	62.8 Å²	62.8	77%	0.771	34%	0.343	S	S	*	.	S	Bend	trans	-76.3	-24.7	-178.6	-62.6	-152.3	131.6	0	0	114
85	D	85.7	Confident	91.4	Very high	155 Å²	155	70.9 Å²	70.9	83%	0.829	38%	0.377	S	S	*	.	S	Bend	trans	-87.4	-8.9	-179.1	-67.1	-43	0	0	0	112.7	D83	D83-D85 PolarHBondContact OD1-N 2.76Å
86	S	85.4	Confident	91.2	Very high	15 Å²	15	77.9 Å²	77.9	11%	0.105	40%	0.404	C	S	.	.	S	Bend	trans	-58	135.2	176.5	-88.1	0	0	0	0	112.3	R22 D83	R22-S86 PolarHBondContact NH1-OG 3.07Å; R22-S86 PolarHBondContact NH2-OG 3.25Å; D83-S86 WeakPolarHBondContact OD2-CB 3.29Å; D83-S86 PolarHBondContact OD2-N 3.49Å; D83-S86 PolarHBondContact OD2-OG 2.89Å
87	P	88.9	Confident	91.1	Very high	63 Å²	63	74.6 Å²	74.6	41%	0.409	39%	0.392	S	S	.	.			trans	-63.6	155.3	-176.4	26.7	-35.2	0	0	0	112.1	Y89 V102	P87-Y89 HydrophobicContact CG-CD2 4.45Å; P87-Y89 HydrophobicContact CG-CE2 3.91Å; P87-Y89 WeakPolarHBondContact O-CD2 3.49Å; P87-Y89 PolarHBondContact O-N 2.82Å; P87-V102 HydrophobicContact CB-CG1 4.38Å; P87-V102 HydrophobicContact CG-CG1 4.18Å
88	V	92.2	Very high	91.3	Very high	107 Å²	107	69.7 Å²	69.7	65%	0.648	37%	0.365	S	S	*	.			trans	-68.8	95.7	174.4	179.8	0	0	0	0	109.2	M101	V88-M101 VanDerWaalsContact O-CB 3.29Å; V88-M101 WeakPolarHBondContact O-CB 3.16Å
89	Y	95.8	Very high	91.4	Very high	8 Å²	8	70 Å²	70	3%	0.031	36%	0.363	C	S	.	.			trans	-61	-49.7	-178.7	-83.4	-95.1	0	0	0	113.3	V8 E10 W11 L79 P87 L100 M101 V102	V8-Y89 HydrophobicContact CG1-CD1 4.26Å; V8-Y89 HydrophobicContact CG1-CE1 4.44Å; V8-Y89 WeakPolarHBondContact O-CE1 3.36Å; E10-Y89 PolarHBondContact N-OH 2.72Å; W11-Y89 AromaticContact CD1-CE1 3.71Å; W11-Y89 AromaticContact CD1-CZ 3.46Å; W11-Y89 VanDerWaalsContact CD1-CZ 3.46Å; W11-Y89 VanDerWaalsContact CD1-OH 3.29Å; W11-Y89 AromaticContact NE1-CZ 3.91Å; L79-Y89 HydrophobicContact CB-CD1 4.35Å; L79-Y89 HydrophobicContact CB-CD2 3.87Å; L79-Y89 HydrophobicContact CB-CE2 4.41Å; L79-Y89 HydrophobicContact CB-CG 3.86Å; L79-Y89 HydrophobicContact CD1-CD1 4.08Å; L79-Y89 HydrophobicContact CD1-CG 3.97Å; L79-Y89 HydrophobicContact CD2-CD1 4.26Å; L79-Y89 HydrophobicContact CD2-CE1 4.47Å; L79-Y89 HydrophobicContact CG-CD1 4.47Å; L79-Y89 HydrophobicContact CG-CG 4.37Å; P87-Y89 HydrophobicContact CG-CD2 4.45Å; P87-Y89 HydrophobicContact CG-CE2 3.91Å; P87-Y89 WeakPolarHBondContact O-CD2 3.49Å; P87-Y89 PolarHBondContact O-N 2.82Å; Y89-L100 WeakPolarHBondContact O-CD1 3.5Å; Y89-M101 PolarHBondContact O-N 3.32Å; Y89-V102 HydrophobicContact CD1-CB 4.35Å; Y89-V102 HydrophobicContact CD1-CG1 3.95Å; Y89-V102 HydrophobicContact CD1-CG2 3.51Å; Y89-V102 HydrophobicContact CE1-CB 4.41Å; Y89-V102 HydrophobicContact CE1-CG1 4.05Å; Y89-V102 HydrophobicContact CE1-CG2 3.79Å; Y89-V102 HydrophobicContact CG-CG1 4.28Å; Y89-V102 HydrophobicContact CG-CG2 4.43Å
90	I	96.3	Very high	91.6	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.7	-177.1	-58.2	170.8	0	0	0	109	F40 I72 L75 R76 L79 K99 L100	F40-I90 HydrophobicContact CD2-CD1 3.84Å; F40-I90 HydrophobicContact CE1-CG2 4.33Å; F40-I90 HydrophobicContact CE2-CD1 3.83Å; F40-I90 HydrophobicContact CE2-CG2 4.36Å; F40-I90 HydrophobicContact CZ-CG2 4.02Å; I72-I90 HydrophobicContact CD1-CG2 4.49Å; L75-I90 HydrophobicContact CD2-CD1 3.56Å; L75-I90 HydrophobicContact CG-CD1 3.94Å; R76-I90 HydrophobicContact CG-CB 4.36Å; R76-I90 VanDerWaalsContact CZ-O 3.23Å; R76-I90 PolarHBondContact NE-O 3.07Å; R76-I90 PolarHBondContact NH2-O 3.39Å; L79-I90 HydrophobicContact CD1-CD1 4.35Å; I90-K99 CarbonylContact C-O 3.51Å; I90-K99 WeakPolarHBondContact CA-O 3.29Å; I90-L100 HydrophobicContact CG1-CD1 4.01Å
91	A	95.9	Very high	91.8	Very high	25 Å²	25	71.2 Å²	71.2	21%	0.207	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	147.3	174.2	0	0	0	0	0	111.7	R76 Y98 K99 M101	R76-A91 VanDerWaalsContact NH2-C 3.26Å; A91-Y98 CarbonylContact O-C 3.52Å; A91-Y98 VanDerWaalsContact O-CA 3.3Å; A91-Y98 WeakPolarHBondContact O-CA 3.43Å; A91-K99 PolarHBondContact N-O 3.22Å; A91-K99 PolarHBondContact O-N 3.17Å; A91-M101 HydrophobicContact CB-CG 3.58Å; A91-M101 HydrophobicContact CB-SD 3.85Å
92	T	96.9	Very high	92.1	Very high	73 Å²	73	71.5 Å²	71.5	45%	0.448	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.6	167.5	-54.9	0	0	0	0	108	R76 P94 Y98	R76-T92 PolarHBondContact NH1-OG1 3.02Å; R76-T92 VanDerWaalsContact NH2-N 3.1Å; R76-T92 PolarHBondContact NH2-OG1 3.3Å; T92-P94 WeakPolarHBondContact O-CD 3.29Å; T92-Y98 HydrophobicContact CG2-CD1 4.28Å; T92-Y98 HydrophobicContact CG2-CE1 4.05Å
93	V	95.1	Very high	92.6	Very high	35 Å²	35	68.3 Å²	68.3	21%	0.212	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	109.8	173.7	-173.5	0	0	0	0	108.2	V47 K95 R96 G97 K99	V47-V93 HydrophobicContact CG1-CB 3.76Å; V47-V93 HydrophobicContact CG1-CG1 4.12Å; V47-V93 HydrophobicContact CG1-CG2 3.76Å; V47-V93 HydrophobicContact CG2-CG2 4.02Å; V93-K95 PolarHBondContact O-N 3.11Å; V93-R96 HydrophobicContact CB-CB 4.22Å; V93-R96 HydrophobicContact CG1-CB 3.9Å; V93-R96 HydrophobicContact CG1-CG 4.29Å; V93-R96 PolarHBondContact O-N 3.26Å; V93-G97 PolarHBondContact N-O 2.83Å; V93-G97 PolarHBondContact O-N 2.94Å; V93-K99 HydrophobicContact CG2-CB 4.09Å
94	P	91.6	Very high	93	Very high	108 Å²	108	66 Å²	66	70%	0.701	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	134.3	-172.1	-29	36	0	0	0	113.2	T92 R96	T92-P94 WeakPolarHBondContact O-CD 3.29Å; P94-R96 PolarHBondContact O-N 3.06Å
95	K	90.3	Very high	93.6	Very high	222 Å²	222	58.9 Å²	58.9	97%	0.965	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	-1.4	-176.4	-52.8	-177	-177.5	178.7	0	116.6	V93	V93-K95 PolarHBondContact O-N 3.11Å
96	R	91.7	Very high	93.8	Very high	147 Å²	147	55.5 Å²	55.5	56%	0.555	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-49.2	-179.1	-65.3	-177.9	62.5	179.4	-0.8	112.5	V47 S49 V93 P94	V47-R96 HydrophobicContact CG1-CB 3.87Å; S49-R96 VanDerWaalsContact CA-O 3.29Å; S49-R96 WeakPolarHBondContact CA-O 3.42Å; S49-R96 WeakPolarHBondContact CB-O 3.41Å; V93-R96 HydrophobicContact CB-CB 4.22Å; V93-R96 HydrophobicContact CG1-CB 3.9Å; V93-R96 HydrophobicContact CG1-CG 4.29Å; V93-R96 PolarHBondContact O-N 3.26Å; P94-R96 PolarHBondContact O-N 3.06Å
97	G	94.9	Very high	93.7	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.3	-132.3	-176.1	0	0	0	0	0	113.1	L48 V93	L48-G97 CarbonylContact O-C 3.26Å; L48-G97 VanDerWaalsContact O-CA 3.28Å; L48-G97 WeakPolarHBondContact O-CA 3.47Å; V93-G97 PolarHBondContact N-O 2.83Å; V93-G97 PolarHBondContact O-N 2.94Å
98	Y	97.4	Very high	92.5	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.7	-175	-54.9	-81	0	0	0	111	V47 L48 R50 L53 V68 T69 I72 A91 T92	V47-Y98 CarbonylContact C-O 3.55Å; V47-Y98 WeakPolarHBondContact CA-O 3.48Å; L48-Y98 PolarHBondContact N-O 2.97Å; L48-Y98 PolarHBondContact O-N 2.92Å; R50-Y98 HydrophobicContact CG-CE2 3.97Å; R50-Y98 PolarHBondContact NE-OH 2.65Å; R50-Y98 PolarHBondContact NH2-OH 3.11Å; L53-Y98 HydrophobicContact CD1-CD2 3.61Å; L53-Y98 HydrophobicContact CD1-CE2 4.25Å; V68-Y98 HydrophobicContact CG1-CE2 4.25Å; T69-Y98 PolarHBondContact OG1-OH 3.46Å; I72-Y98 HydrophobicContact CB-CE1 4.31Å; I72-Y98 HydrophobicContact CD1-CD1 4.37Å; I72-Y98 HydrophobicContact CD1-CD2 4.13Å; I72-Y98 HydrophobicContact CD1-CE2 4.46Å; I72-Y98 HydrophobicContact CD1-CG 4.05Å; I72-Y98 HydrophobicContact CG1-CD1 4.38Å; I72-Y98 HydrophobicContact CG1-CD2 4.15Å; I72-Y98 HydrophobicContact CG1-CE1 4.23Å; I72-Y98 HydrophobicContact CG1-CE2 3.98Å; I72-Y98 HydrophobicContact CG1-CG 4.33Å; I72-Y98 HydrophobicContact CG2-CD1 3.85Å; I72-Y98 HydrophobicContact CG2-CE1 3.67Å; A91-Y98 CarbonylContact O-C 3.52Å; A91-Y98 VanDerWaalsContact O-CA 3.3Å; A91-Y98 WeakPolarHBondContact O-CA 3.43Å; T92-Y98 HydrophobicContact CG2-CD1 4.28Å; T92-Y98 HydrophobicContact CG2-CE1 4.05Å
99	K	97	Very high	90.7	Very high	37 Å²	37	63.6 Å²	63.6	16%	0.161	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.4	-180	167.4	163.1	168.1	156.9	0	110.8	G45 E46 V47 I90 A91 V93 M101	G45-K99 WeakPolarHBondContact O-CD 3.37Å; G45-K99 WeakPolarHBondContact O-CE 3.45Å; G45-K99 PolarHBondContact O-NZ 3.28Å; E46-K99 WeakPolarHBondContact O-CA 3.49Å; E46-K99 VanDerWaalsContact O-CB 3.26Å; E46-K99 WeakPolarHBondContact O-CB 3.43Å; E46-K99 WeakPolarHBondContact O-CG 3.24Å; V47-K99 HydrophobicContact CG2-CB 4.24Å; V47-K99 HydrophobicContact CG2-CD 4.09Å; I90-K99 CarbonylContact C-O 3.51Å; I90-K99 WeakPolarHBondContact CA-O 3.29Å; A91-K99 PolarHBondContact N-O 3.22Å; A91-K99 PolarHBondContact O-N 3.17Å; V93-K99 HydrophobicContact CG2-CB 4.09Å; K99-M101 HydrophobicContact CB-SD 4.48Å; K99-M101 HydrophobicContact CD-SD 4.04Å; K99-M101 HydrophobicContact CG-SD 3.81Å
100	L	97.2	Very high	88.4	Confident	3 Å²	3	71 Å²	71	2%	0.016	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.9	167.1	-167.9	72.2	0	0	0	109.5	V8 F40 Y89 I90 V102 V104	V8-L100 HydrophobicContact CG1-CD1 3.92Å; V8-L100 HydrophobicContact CG1-CD2 4.02Å; V8-L100 HydrophobicContact CG1-CG 4.48Å; F40-L100 HydrophobicContact CB-CB 4.16Å; F40-L100 HydrophobicContact CB-CD1 4.28Å; F40-L100 HydrophobicContact CB-CD2 4.28Å; F40-L100 HydrophobicContact CB-CG 4.48Å; F40-L100 HydrophobicContact CD1-CB 4.23Å; F40-L100 WeakPolarHBondContact O-CD2 3.26Å; Y89-L100 WeakPolarHBondContact O-CD1 3.5Å; I90-L100 HydrophobicContact CG1-CD1 4.01Å; L100-V102 HydrophobicContact CD1-CG2 4.12Å; L100-V102 HydrophobicContact CG-CG2 4.24Å; L100-V104 HydrophobicContact CD2-CG2 3.38Å
101	M	95.8	Very high	85.8	Confident	106 Å²	106	79.8 Å²	79.8	52%	0.522	40%	0.396	S	S	.	.			trans	-113.6	-8.2	-169.8	-64.3	-63.1	-58	0	0	114	V88 Y89 A91 K99	V88-M101 VanDerWaalsContact O-CB 3.29Å; V88-M101 WeakPolarHBondContact O-CB 3.16Å; Y89-M101 PolarHBondContact O-N 3.32Å; A91-M101 HydrophobicContact CB-CG 3.58Å; A91-M101 HydrophobicContact CB-SD 3.85Å; K99-M101 HydrophobicContact CB-SD 4.48Å; K99-M101 HydrophobicContact CD-SD 4.04Å; K99-M101 HydrophobicContact CG-SD 3.81Å
102	V	94.6	Very high	82.8	Confident	17 Å²	17	82.7 Å²	82.7	10%	0.103	43%	0.429	C	S	.	.	S	Bend	trans	-99.9	155.5	177.5	-66.2	0	0	0	0	111	V8 P87 Y89 L100	V8-V102 HydrophobicContact CG1-CG2 3.56Å; P87-V102 HydrophobicContact CB-CG1 4.38Å; P87-V102 HydrophobicContact CG-CG1 4.18Å; Y89-V102 HydrophobicContact CD1-CB 4.35Å; Y89-V102 HydrophobicContact CD1-CG1 3.95Å; Y89-V102 HydrophobicContact CD1-CG2 3.51Å; Y89-V102 HydrophobicContact CE1-CB 4.41Å; Y89-V102 HydrophobicContact CE1-CG1 4.05Å; Y89-V102 HydrophobicContact CE1-CG2 3.79Å; Y89-V102 HydrophobicContact CG-CG1 4.28Å; Y89-V102 HydrophobicContact CG-CG2 4.43Å; L100-V102 HydrophobicContact CD1-CG2 4.12Å; L100-V102 HydrophobicContact CG-CG2 4.24Å
103	P	93.5	Very high	80	Confident	87 Å²	87	88.2 Å²	88.2	57%	0.565	45%	0.45	S	S	*	.			trans	-59.2	151.9	173	-23	34.3	0	0	0	112.5	G9	G9-P103 PolarHBondContact N-O 3.06Å
104	V	95.3	Very high	77.3	Confident	8 Å²	8	92.5 Å²	92.5	5%	0.048	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.8	176.6	179	0	0	0	0	109	V6 R7 V8 A41 L100	V6-V104 HydrophobicContact CG2-CG1 3.5Å; R7-V104 CarbonylContact O-C 3.55Å; R7-V104 WeakPolarHBondContact O-CA 3.33Å; V8-V104 HydrophobicContact CG2-CG2 4.45Å; A41-V104 HydrophobicContact CB-CG1 3.81Å; A41-V104 HydrophobicContact CB-CG2 4.26Å; L100-V104 HydrophobicContact CD2-CG2 3.38Å
105	I	93.8	Very high	75.1	Confident	14 Å²	14	94 Å²	94	7%	0.072	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118.5	177.9	-51.4	179	0	0	0	107.7	R7 Y107 E114 M116	R7-I105 HydrophobicContact CB-CB 4.38Å; R7-I105 PolarHBondContact N-O 3.25Å; R7-I105 PolarHBondContact O-N 3Å; I105-Y107 HydrophobicContact CG2-CE1 4.3Å; I105-E114 WeakPolarHBondContact CD1-OE1 3.45Å; I105-E114 HydrophobicContact CG2-CG 4.18Å; I105-M116 HydrophobicContact CD1-CE 4.21Å
106	W	91.1	Very high	72.8	Confident	85 Å²	85	88.9 Å²	88.9	32%	0.322	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	138.5	176.3	-67.2	88.3	0	0	0	110	P4 V6 V38 A41 Q42	P4-W106 HydrophobicContact CB-CE3 4.18Å; P4-W106 HydrophobicContact CG-CE3 3.76Å; P4-W106 HydrophobicContact CG-CZ3 3.86Å; V6-W106 HydrophobicContact CB-CD2 3.89Å; V6-W106 HydrophobicContact CB-CE3 3.58Å; V6-W106 HydrophobicContact CB-CH2 4.1Å; V6-W106 HydrophobicContact CB-CZ2 4.38Å; V6-W106 HydrophobicContact CB-CZ3 3.69Å; V6-W106 HydrophobicContact CG1-CE3 4.38Å; V6-W106 HydrophobicContact CG1-CH2 4.11Å; V6-W106 HydrophobicContact CG1-CZ3 3.98Å; V6-W106 HydrophobicContact CG2-CD2 3.58Å; V6-W106 HydrophobicContact CG2-CE3 3.84Å; V6-W106 HydrophobicContact CG2-CG 4.02Å; V6-W106 HydrophobicContact CG2-CH2 4.18Å; V6-W106 HydrophobicContact CG2-CZ2 3.95Å; V6-W106 HydrophobicContact CG2-CZ3 4.12Å; V38-W106 HydrophobicContact CG1-CH2 4.16Å; A41-W106 HydrophobicContact CB-CH2 4.37Å; A41-W106 HydrophobicContact CB-CZ2 3.78Å; Q42-W106 HydrophobicContact CB-CZ2 4.42Å; Q42-W106 HydrophobicContact CG-CH2 3.79Å; Q42-W106 HydrophobicContact CG-CZ2 3.57Å
107	Y	82.6	Confident	70.9	Confident	90 Å²	90	88.3 Å²	88.3	35%	0.353	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.7	172.1	-59.7	-71.2	0	0	0	109.5	V5 R7 L12 I105	V5-Y107 HydrophobicContact CG1-CD2 4.35Å; V5-Y107 PolarHBondContact O-N 3.03Å; R7-Y107 HydrophobicContact CB-CE2 3.84Å; L12-Y107 HydrophobicContact CD1-CD2 3.96Å; L12-Y107 HydrophobicContact CD1-CE2 3.57Å; I105-Y107 HydrophobicContact CG2-CE1 4.3Å
108	S	64.6	Low	68.8	Low	80 Å²	80	93.7 Å²	93.7	56%	0.559	49%	0.494	S	S	*	.			trans	-78	149.1	162.4	39.5	0	0	0	0	110.1	E110	S108-E110 VanDerWaalsContact CB-O 3.29Å; S108-E110 WeakPolarHBondContact CB-O 3.26Å; S108-E110 PolarHBondContact O-N 2.93Å; S108-E110 PolarHBondContact OG-O 3.17Å
109	E	53.6	Low	66.5	Low	184 Å²	184	96.6 Å²	96.6	86%	0.86	51%	0.514	S	S	*	.	S	Bend	trans	-72.6	-8.2	171.5	-65.1	-175.1	138.3	0	0	112.3
110	E	46.9	Very low	64.3	Low	164 Å²	164	99.3 Å²	99.3	77%	0.766	54%	0.536	S	S	*	.	S	Bend	trans	-114.9	124	173.2	-61.9	-178.8	164.9	0	0	109	S108	S108-E110 VanDerWaalsContact CB-O 3.29Å; S108-E110 WeakPolarHBondContact CB-O 3.26Å; S108-E110 PolarHBondContact O-N 2.93Å; S108-E110 PolarHBondContact OG-O 3.17Å
111	E	41.9	Very low	62.5	Low	185 Å²	185	105 Å²	105	86%	0.864	57%	0.573	S	S	*	*			trans	61.9	114.8	171.9	-58.6	-175.3	157.6	0	0	117.7	E113	E111-E113 PolarHBondContact O-N 3.3Å
112	G	32.5	Very low	59.8	Low	86 Å²	86	105.7 Å²	105.7	89%	0.887	59%	0.586	S	S	*	*			trans	-89.2	95.8	177.6	0	0	0	0	0	113.1
113	E	38.7	Very low	57.4	Low	189 Å²	189	111.6 Å²	111.6	88%	0.883	62%	0.615	S	S	*	*			trans	-144.9	134.4	163.2	-115.5	174.7	179.6	0	0	110.7	E111 I115	E111-E113 PolarHBondContact O-N 3.3Å; E113-I115 PolarHBondContact O-N 2.86Å
114	E	37.6	Very low	55.1	Low	125 Å²	125	113.1 Å²	113.1	58%	0.584	63%	0.625	S	S	*	*			trans	-75.5	117.2	-173.5	-73	-177.9	146.8	0	0	112.5	I105	I105-E114 WeakPolarHBondContact CD1-OE1 3.45Å; I105-E114 HydrophobicContact CG2-CG 4.18Å
115	I	46.7	Very low	52.5	Low	139 Å²	139	121.7 Å²	121.7	71%	0.713	66%	0.664	S	S	*	*			trans	-101.2	99.6	165.9	-56	179.4	0	0	0	109.3	E113	E113-I115 PolarHBondContact O-N 2.86Å
116	M	42.3	Very low	50	Low	116 Å²	116	125.5 Å²	125.5	57%	0.571	70%	0.698	S	S	*	*			trans	-85.3	119.5	171.3	-63.8	-163.7	-171.1	0	0	111.1	I105	I105-M116 HydrophobicContact CD1-CE 4.21Å
117	L	50.7	Low	48.2	Very low	134 Å²	134	127.8 Å²	127.8	70%	0.702	72%	0.721	S	S	*	*			trans	-99.3	116.3	168.1	-139.7	77	0	0	0	109.8
118	S	50.4	Low	46.2	Very low	114 Å²	114	129.2 Å²	129.2	80%	0.797	74%	0.742	S	S	*	*			trans	-108.6	146.6	-179.8	58.3	0	0	0	0	112.2
119	S	48.9	Very low	45	Very low	65 Å²	65	130 Å²	130	46%	0.455	75%	0.753	S	S	.	*	P	Polyproline II helix	trans	-67.8	157.6	-161.7	61	0	0	0	0	117.2
120	P	51.1	Low	44.4	Very low	95 Å²	95	128 Å²	128	62%	0.617	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-81.3	160.8	-177.8	33.2	-37.3	0	0	0	115.4
121	P	58.9	Low	43.9	Very low	123 Å²	123	127.3 Å²	127.3	80%	0.799	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-89.3	168	178.7	1.3	19.6	0	0	0	114.5
122	P	40.8	Very low	44	Very low	120 Å²	120	124.1 Å²	124.1	78%	0.779	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-102.4	160.8	-170.2	38.5	-34.9	0	0	0	118
123	I	44.1	Very low	44.4	Very low	140 Å²	140	125.2 Å²	125.2	72%	0.718	74%	0.744	S	S	*	*			trans	-21.8	143.3	166.1	-27.3	175.4	0	0	0	118.3
124	P	44.7	Very low	44.3	Very low	120 Å²	120	121.5 Å²	121.5	78%	0.779	74%	0.739	S	S	*	*				-137	135.1	110.8	24.8	-6.3	0	0	0	112.5
125	E	40.3	Very low	44.4	Very low	187 Å²	187	124.6 Å²	124.6	87%	0.874	75%	0.754	S	S	*	*				82.4	100.8	63.8	-166.2	173	-122.1	0	0	114.7
126	A	41.8	Very low	44.1	Very low	94 Å²	94	123 Å²	123	78%	0.777	76%	0.755	S	S	*	*			trans	-178.5	164.2	163.9	0	0	0	0	0	109.9
127	V	52.6	Low	44.2	Very low	134 Å²	134	125.4 Å²	125.4	81%	0.812	77%	0.769	S	S	*	*			cis	-154.3	136.5	-35.8	145.6	0	0	0	0	105.6
128	P	40.2	Very low	43.8	Very low	120 Å²	120	125.9 Å²	125.9	78%	0.779	77%	0.772	S	S	*	*			trans	-103.4	153.7	178.9	38	-32.5	0	0	0	114.1
129	A	40.5	Very low	43.6	Very low	96 Å²	96	128.9 Å²	128.9	79%	0.793	78%	0.778	S	S	*	*			trans	150.7	139	142.8	0	0	0	0	0	112.7
130	T	40.3	Very low	43.2	Very low	142 Å²	142	133.1 Å²	133.1	87%	0.871	79%	0.79	S	S	*	*			trans	-168.2	124.8	134.7	-68.5	0	0	0	0	108.7
131	D	37.4	Very low	42.8	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	79%	0.794	S	S	*	*			trans	-82.3	159	177	-98.6	-48.8	0	0	0	113.2
132	S	43	Very low	42	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	79%	0.794	S	S	*	*			trans	-165.5	113.1	154.4	-81.8	0	0	0	0	112
133	P	41.3	Very low	42.1	Very low	108 Å²	108	133.4 Å²	133.4	70%	0.701	79%	0.789	S	S	*	*			trans	-111.6	150.2	177.5	37.7	-30.6	0	0	0	115.3
134	S	36.4	Very low	42.3	Very low	111 Å²	111	133 Å²	133	78%	0.776	79%	0.794	S	S	*	*			trans	57.8	122.7	145.8	60.4	0	0	0	0	121.5
135	H	40.3	Very low	42.6	Very low	191 Å²	191	132.6 Å²	132.6	88%	0.884	79%	0.791	S	S	*	*			trans	-131.2	132	146.4	-123.7	-63.5	0	0	0	109.4
136	S	40	Very low	42.9	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	78%	0.781	S	S	*	*			trans	-127.8	147	176.8	56	0	0	0	0	109.9
137	L	44.4	Very low	42.8	Very low	167 Å²	167	131.5 Å²	131.5	87%	0.874	78%	0.779	S	S	*	*			trans	-154.8	132.1	166.1	-107	166.2	0	0	0	111.4
138	N	42.4	Very low	42.2	Very low	144 Å²	144	132.6 Å²	132.6	77%	0.77	78%	0.775	S	S	*	*			trans	-64.2	161.9	177.2	-65.4	-39	0	0	0	113.2
139	I	46.1	Very low	42.1	Very low	177 Å²	177	131.9 Å²	131.9	91%	0.908	77%	0.773	S	S	*	*				-146.8	153.3	112	-64.8	-157.7	0	0	0	108.7
140	Q	41.8	Very low	42.1	Very low	154 Å²	154	133.4 Å²	133.4	72%	0.72	78%	0.775	S	S	*	*			trans	-128.5	167.7	-165.5	-143.9	176.5	12.9	0	0	111.8
141	N	42.7	Very low	42.2	Very low	132 Å²	132	133.4 Å²	133.4	71%	0.706	77%	0.774	S	S	*	*			trans	79.9	148.4	164.8	-50.5	-27.9	0	0	0	116.8
142	T	41.1	Very low	42.1	Very low	128 Å²	128	136.3 Å²	136.3	79%	0.785	78%	0.78	S	S	*	*			cis	-154.8	147.3	17.4	-22.6	0	0	0	0	113.2
143	A	43.7	Very low	42.4	Very low	83 Å²	83	135.4 Å²	135.4	69%	0.686	77%	0.773	S	S	*	*			trans	16.2	152.8	138.8	0	0	0	0	0	122.8
144	T	47.7	Very low	42.5	Very low	133 Å²	133	140.3 Å²	140.3	82%	0.816	78%	0.784	S	S	*	*			cis	-166.6	167.5	-28.3	11.7	0	0	0	0	108.3
145	P	50.8	Low	43.2	Very low	111 Å²	111	144.2 Å²	144.2	72%	0.721	78%	0.781	S	S	*	*			trans	-92.3	-152.5	-174.1	43.6	-40.1	0	0	0	111.6
146	P	46.8	Very low	43.8	Very low	103 Å²	103	143.1 Å²	143.1	67%	0.669	77%	0.774	S	S	*	*			cis	-146.6	-174.5	0.8	37.5	-13	0	0	0	119.1
147	E	39.1	Very low	44.8	Very low	154 Å²	154	143.7 Å²	143.7	72%	0.72	77%	0.773	S	S	*	*			trans	88.4	147.8	133.2	-109.3	-170.1	111.7	0	0	125.8
148	Q	39.4	Very low	45.8	Very low	158 Å²	158	138.4 Å²	138.4	74%	0.738	75%	0.748	S	S	*	*			trans	69.7	143.3	159.7	-66	168.5	28	0	0	118.6
149	S	40	Very low	47.4	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	74%	0.739	S	S	*	*			cis	-160.9	162.6	-14.2	53.5	0	0	0	0	109.4
150	P	39.1	Very low	49.1	Very low	129 Å²	129	135.5 Å²	135.5	84%	0.838	72%	0.719	S	S	*	*			trans	-94.4	147.3	-167	35.5	-34.7	0	0	0	115.2
151	V	42.4	Very low	51	Low	141 Å²	141	132.9 Å²	132.9	86%	0.855	71%	0.714	S	S	*	*			trans	-117.6	125.3	172.4	179.1	0	0	0	0	111.1
152	K	36.3	Very low	53.1	Low	211 Å²	211	134 Å²	134	92%	0.917	71%	0.708	S	S	*	*			trans	-81.8	126.5	175	-68.4	175.4	177.5	174.4	0	111.1
153	S	48.5	Very low	55.4	Low	99 Å²	99	132.7 Å²	132.7	69%	0.692	69%	0.692	S	S	*	*			trans	-152.6	128.7	155	69.1	0	0	0	0	114.8	R155	S153-R155 PolarHBondContact O-N 3.14Å
154	K	44.8	Very low	57.6	Low	212 Å²	212	134.4 Å²	134.4	92%	0.922	68%	0.684	S	S	*	*	S	Bend	trans	38.3	64.2	152.3	-61	-175.2	177.3	-179.6	0	118.9
155	R	50	Low	59.7	Low	192 Å²	192	133.8 Å²	133.8	73%	0.725	67%	0.67	S	S	*	*			trans	-137.6	40.1	163.3	-86.5	-162.7	164.9	175.3	-4.8	114.6	S153 T157 T158 F159	S153-R155 PolarHBondContact O-N 3.14Å; R155-T157 PolarHBondContact O-N 2.83Å; R155-T158 VanDerWaalsContact CB-OG1 3.31Å; R155-T158 WeakPolarHBondContact CB-OG1 2.85Å; R155-T158 WeakPolarHBondContact CG-OG1 3.28Å; R155-T158 PolarHBondContact O-N 2.88Å; R155-T158 PolarHBondContact O-OG1 3.34Å; R155-F159 WeakPolarHBondContact O-CB 3.43Å; R155-F159 PolarHBondContact O-N 3.3Å
156	F	52.8	Low	61.8	Low	168 Å²	168	133 Å²	133	74%	0.737	66%	0.659	S	S	*	*	H	α-helix	trans	-66.1	-31	-174.6	-127.9	-88.1	0	0	0	114.4
157	T	60.2	Low	64	Low	117 Å²	117	132.1 Å²	132.1	72%	0.718	65%	0.648	S	S	*	*	H	α-helix	trans	-77	-39.7	175.3	47.5	0	0	0	0	112.6	R155 F159 W160 V161	R155-T157 PolarHBondContact O-N 2.83Å; T157-F159 VanDerWaalsContact C-N 3.33Å; T157-W160 PolarHBondContact O-N 3.11Å; T157-V161 PolarHBondContact O-N 2.61Å
158	T	66.6	Low	66.6	Low	57 Å²	57	128 Å²	128	35%	0.35	64%	0.636	S	S	.	*	H	α-helix	trans	-70.8	-28.9	176.6	16.6	0	0	0	0	112.5	R155 W162	R155-T158 VanDerWaalsContact CB-OG1 3.31Å; R155-T158 WeakPolarHBondContact CB-OG1 2.85Å; R155-T158 WeakPolarHBondContact CG-OG1 3.28Å; R155-T158 PolarHBondContact O-N 2.88Å; R155-T158 PolarHBondContact O-OG1 3.34Å; T158-W162 PolarHBondContact O-N 2.9Å; T158-W162 VanDerWaalsContact O-N 3.07Å
159	F	76.4	Confident	69.2	Low	131 Å²	131	124.8 Å²	124.8	58%	0.575	62%	0.624	S	S	*	*	H	α-helix	trans	-61.7	-48.3	171.1	-176.9	-95.3	0	0	0	112	R155 T157 V161 W162 F163	R155-F159 WeakPolarHBondContact O-CB 3.43Å; R155-F159 PolarHBondContact O-N 3.3Å; T157-F159 VanDerWaalsContact C-N 3.33Å; F159-V161 PolarHBondContact O-N 3.01Å; F159-W162 PolarHBondContact O-N 2.91Å; F159-F163 VanDerWaalsContact O-CB 3.3Å; F159-F163 WeakPolarHBondContact O-CB 3.38Å; F159-F163 PolarHBondContact O-N 2.82Å
160	W	80.6	Confident	71.7	Confident	129 Å²	129	121.7 Å²	121.7	49%	0.489	61%	0.609	S	S	.	*	H	α-helix	trans	-64.4	-36.2	178.4	-89.9	97.8	0	0	0	113.3	T157 F163 F164	T157-W160 PolarHBondContact O-N 3.11Å; W160-F163 HydrophobicContact CE3-CD1 4.2Å; W160-F163 HydrophobicContact CZ3-CD1 4.25Å; W160-F163 HydrophobicContact CZ3-CE1 4.47Å; W160-F163 PolarHBondContact O-N 2.87Å; W160-F164 HydrophobicContact CD2-CE2 4.49Å; W160-F164 AromaticContact CE3-CD2 3.94Å; W160-F164 HydrophobicContact CE3-CD2 3.94Å; W160-F164 AromaticContact CE3-CE2 3.35Å; W160-F164 HydrophobicContact CE3-CE2 3.35Å; W160-F164 AromaticContact CE3-CZ 3.75Å; W160-F164 HydrophobicContact CE3-CZ 3.75Å; W160-F164 HydrophobicContact CZ3-CE1 4.32Å; W160-F164 AromaticContact CZ3-CE2 3.68Å; W160-F164 HydrophobicContact CZ3-CE2 3.68Å; W160-F164 AromaticContact CZ3-CZ 3.54Å; W160-F164 HydrophobicContact CZ3-CZ 3.54Å; W160-F164 WeakPolarHBondContact O-CD2 3.21Å; W160-F164 PolarHBondContact O-N 3.18Å
161	V	82.4	Confident	74.3	Confident	99 Å²	99	119.9 Å²	119.9	60%	0.6	59%	0.591	S	S	*	*	H	α-helix	trans	-63.7	-46.8	173.8	174.4	0	0	0	0	111.2	T157 F159 F163 F165	T157-V161 PolarHBondContact O-N 2.61Å; F159-V161 PolarHBondContact O-N 3.01Å; V161-F163 VanDerWaalsContact C-N 3.35Å; V161-F165 WeakPolarHBondContact O-CB 3.36Å; V161-F165 PolarHBondContact O-N 3.47Å
162	W	85.7	Confident	76.6	Confident	155 Å²	155	116.5 Å²	116.5	59%	0.587	57%	0.573	S	S	*	*	H	α-helix	trans	-67.2	-33.8	175.7	-93.4	89.1	0	0	0	113.1	T158 F159 F165 L166	T158-W162 PolarHBondContact O-N 2.9Å; T158-W162 VanDerWaalsContact O-N 3.07Å; F159-W162 PolarHBondContact O-N 2.91Å; W162-F165 HydrophobicContact CE3-CD1 4.34Å; W162-F165 HydrophobicContact CZ3-CD1 4.32Å; W162-F165 PolarHBondContact O-N 3.33Å; W162-L166 HydrophobicContact CE3-CD1 4.16Å; W162-L166 HydrophobicContact CE3-CG 4.14Å; W162-L166 HydrophobicContact CZ3-CD2 4.48Å; W162-L166 WeakPolarHBondContact O-CB 3.39Å; W162-L166 WeakPolarHBondContact O-CG 3.46Å; W162-L166 PolarHBondContact O-N 3.41Å
163	F	89.6	Confident	79.3	Confident	101 Å²	101	110.9 Å²	110.9	44%	0.443	56%	0.556	S	S	.	*	H	α-helix	trans	-63.6	-50.3	175.3	-179.5	-98.1	0	0	0	111.4	F159 W160 V161 F165 L166 L167	F159-F163 VanDerWaalsContact O-CB 3.3Å; F159-F163 WeakPolarHBondContact O-CB 3.38Å; F159-F163 PolarHBondContact O-N 2.82Å; W160-F163 HydrophobicContact CE3-CD1 4.2Å; W160-F163 HydrophobicContact CZ3-CD1 4.25Å; W160-F163 HydrophobicContact CZ3-CE1 4.47Å; W160-F163 PolarHBondContact O-N 2.87Å; V161-F163 VanDerWaalsContact C-N 3.35Å; F163-F165 VanDerWaalsContact C-N 3.34Å; F163-F165 PolarHBondContact O-N 3.44Å; F163-L166 PolarHBondContact O-N 2.88Å; F163-L167 VanDerWaalsContact O-CB 3.28Å; F163-L167 WeakPolarHBondContact O-CB 3.43Å; F163-L167 PolarHBondContact O-N 3.27Å
164	F	91.4	Very high	81.1	Confident	118 Å²	118	108.5 Å²	108.5	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-66.1	-34	175.7	-77.3	-56.8	0	0	0	112.9	W160 L167 S168	W160-F164 HydrophobicContact CD2-CE2 4.49Å; W160-F164 AromaticContact CE3-CD2 3.94Å; W160-F164 HydrophobicContact CE3-CD2 3.94Å; W160-F164 AromaticContact CE3-CE2 3.35Å; W160-F164 HydrophobicContact CE3-CE2 3.35Å; W160-F164 AromaticContact CE3-CZ 3.75Å; W160-F164 HydrophobicContact CE3-CZ 3.75Å; W160-F164 HydrophobicContact CZ3-CE1 4.32Å; W160-F164 AromaticContact CZ3-CE2 3.68Å; W160-F164 HydrophobicContact CZ3-CE2 3.68Å; W160-F164 AromaticContact CZ3-CZ 3.54Å; W160-F164 HydrophobicContact CZ3-CZ 3.54Å; W160-F164 WeakPolarHBondContact O-CD2 3.21Å; W160-F164 PolarHBondContact O-N 3.18Å; F164-L167 HydrophobicContact CD1-CD2 4.26Å; F164-S168 VanDerWaalsContact O-CB 3.26Å; F164-S168 WeakPolarHBondContact O-CB 3.31Å; F164-S168 PolarHBondContact O-N 3.05Å
165	F	91.9	Very high	83.1	Confident	120 Å²	120	103.7 Å²	103.7	53%	0.526	53%	0.526	S	S	.	.	H	α-helix	trans	-64.8	-46.2	174	-178.6	-100.3	0	0	0	112.2	V161 W162 F163 S168 L169	V161-F165 WeakPolarHBondContact O-CB 3.36Å; V161-F165 PolarHBondContact O-N 3.47Å; W162-F165 HydrophobicContact CE3-CD1 4.34Å; W162-F165 HydrophobicContact CZ3-CD1 4.32Å; W162-F165 PolarHBondContact O-N 3.33Å; F163-F165 VanDerWaalsContact C-N 3.34Å; F163-F165 PolarHBondContact O-N 3.44Å; F165-S168 PolarHBondContact O-N 2.9Å; F165-L169 WeakPolarHBondContact O-CB 3.26Å; F165-L169 PolarHBondContact O-N 3.3Å
166	L	93.8	Very high	84.7	Confident	95 Å²	95	99.1 Å²	99.1	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-69.5	-33.6	176.7	-71.1	171.5	0	0	0	112.4	W162 F163 L169 G170	W162-L166 HydrophobicContact CE3-CD1 4.16Å; W162-L166 HydrophobicContact CE3-CG 4.14Å; W162-L166 HydrophobicContact CZ3-CD2 4.48Å; W162-L166 WeakPolarHBondContact O-CB 3.39Å; W162-L166 WeakPolarHBondContact O-CG 3.46Å; W162-L166 PolarHBondContact O-N 3.41Å; F163-L166 PolarHBondContact O-N 2.88Å; L166-L169 HydrophobicContact CD2-CD2 4.48Å; L166-G170 PolarHBondContact O-N 3.49Å
167	L	93.8	Very high	86	Confident	85 Å²	85	92.9 Å²	92.9	45%	0.445	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-46.5	172	-173	73.5	0	0	0	111	F163 F164 G170 I171	F163-L167 VanDerWaalsContact O-CB 3.28Å; F163-L167 WeakPolarHBondContact O-CB 3.43Å; F163-L167 PolarHBondContact O-N 3.27Å; F164-L167 HydrophobicContact CD1-CD2 4.26Å; L167-G170 PolarHBondContact O-N 3.43Å; L167-I171 HydrophobicContact CG-CD1 4.08Å; L167-I171 VanDerWaalsContact O-CG1 3.28Å; L167-I171 WeakPolarHBondContact O-CG1 3.39Å; L167-I171 PolarHBondContact O-N 3.45Å
168	S	92.6	Very high	86.9	Confident	66 Å²	66	94 Å²	94	46%	0.462	49%	0.494	S	S	.	.	H	α-helix	trans	-59.7	-47.9	174.8	175.6	0	0	0	0	111.8	F164 F165 G170 I171 C172	F164-S168 VanDerWaalsContact O-CB 3.26Å; F164-S168 WeakPolarHBondContact O-CB 3.31Å; F164-S168 PolarHBondContact O-N 3.05Å; F165-S168 PolarHBondContact O-N 2.9Å; S168-G170 VanDerWaalsContact C-N 3.34Å; S168-G170 PolarHBondContact O-N 2.84Å; S168-I171 PolarHBondContact O-N 3.49Å; S168-C172 PolarHBondContact O-N 2.85Å
169	L	94.1	Very high	87.3	Confident	91 Å²	91	95.2 Å²	95.2	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-60.8	-43.2	176.3	-171.2	72.1	0	0	0	111.5	F165 L166 C172 V173	F165-L169 WeakPolarHBondContact O-CB 3.26Å; F165-L169 PolarHBondContact O-N 3.3Å; L166-L169 HydrophobicContact CD2-CD2 4.48Å; L169-C172 PolarHBondContact O-N 3.41Å; L169-V173 WeakPolarHBondContact O-CB 3.38Å; L169-V173 WeakPolarHBondContact O-CG2 3.38Å; L169-V173 PolarHBondContact O-N 2.86Å
170	G	93.9	Very high	86.9	Confident	40 Å²	40	93.1 Å²	93.1	41%	0.412	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-41.7	176	0	0	0	0	0	112.9	L166 L167 S168 V173 A174	L166-G170 PolarHBondContact O-N 3.49Å; L167-G170 PolarHBondContact O-N 3.43Å; S168-G170 VanDerWaalsContact C-N 3.34Å; S168-G170 PolarHBondContact O-N 2.84Å; G170-V173 PolarHBondContact O-N 3.33Å; G170-A174 VanDerWaalsContact O-CB 3.23Å; G170-A174 WeakPolarHBondContact O-CB 3.27Å; G170-A174 PolarHBondContact O-N 3.07Å
171	I	93.3	Very high	86	Confident	91 Å²	91	92.9 Å²	92.9	47%	0.467	51%	0.514	S	S	.	.	H	α-helix	trans	-66	-44	174.5	-68.8	164.4	0	0	0	110.6	L167 S168 A174 L175	L167-I171 HydrophobicContact CG-CD1 4.08Å; L167-I171 VanDerWaalsContact O-CG1 3.28Å; L167-I171 WeakPolarHBondContact O-CG1 3.39Å; L167-I171 PolarHBondContact O-N 3.45Å; S168-I171 PolarHBondContact O-N 3.49Å; I171-A174 PolarHBondContact O-N 2.9Å; I171-L175 HydrophobicContact CG2-CD1 3.89Å; I171-L175 HydrophobicContact CG2-CG 4.31Å; I171-L175 WeakPolarHBondContact O-CB 3.49Å; I171-L175 VanDerWaalsContact O-CG 3.3Å; I171-L175 WeakPolarHBondContact O-CG 3.38Å; I171-L175 PolarHBondContact O-N 2.96Å
172	C	91.1	Very high	84.4	Confident	70 Å²	70	93.3 Å²	93.3	47%	0.473	51%	0.513	S	S	.	.	H	α-helix	trans	-61.9	-43.8	175.5	-79.1	0	0	0	0	112.4	S168 L169 L175 V176	S168-C172 PolarHBondContact O-N 2.85Å; L169-C172 PolarHBondContact O-N 3.41Å; C172-L175 PolarHBondContact O-N 3.35Å; C172-V176 WeakPolarHBondContact O-CB 3.47Å; C172-V176 VanDerWaalsContact O-CG2 3.31Å; C172-V176 WeakPolarHBondContact O-CG2 3.34Å; C172-V176 PolarHBondContact O-N 3.2Å
173	V	91.2	Very high	82.6	Confident	93 Å²	93	92.3 Å²	92.3	56%	0.564	52%	0.524	S	S	*	.	H	α-helix	trans	-65.3	-39.6	175.4	171.7	0	0	0	0	111	L169 G170 V176 A177	L169-V173 WeakPolarHBondContact O-CB 3.38Å; L169-V173 WeakPolarHBondContact O-CG2 3.38Å; L169-V173 PolarHBondContact O-N 2.86Å; G170-V173 PolarHBondContact O-N 3.33Å; V173-V176 PolarHBondContact O-N 3.05Å; V173-A177 WeakPolarHBondContact O-CB 3.29Å; V173-A177 PolarHBondContact O-N 3.02Å
174	A	87.2	Confident	80.6	Confident	49 Å²	49	98.3 Å²	98.3	41%	0.405	54%	0.544	S	S	.	.	H	α-helix	trans	-66.1	-38	175.6	0	0	0	0	0	112.6	G170 I171 F178	G170-A174 VanDerWaalsContact O-CB 3.23Å; G170-A174 WeakPolarHBondContact O-CB 3.27Å; G170-A174 PolarHBondContact O-N 3.07Å; I171-A174 PolarHBondContact O-N 2.9Å; A174-F178 WeakPolarHBondContact O-CB 3.27Å; A174-F178 PolarHBondContact O-N 2.85Å
175	L	87.2	Confident	78.6	Confident	111 Å²	111	99.5 Å²	99.5	58%	0.581	56%	0.555	S	S	*	*	H	α-helix	trans	-69.7	-41.9	174.7	-74.2	171.5	0	0	0	112	I171 C172 A177 F178 S179	I171-L175 HydrophobicContact CG2-CD1 3.89Å; I171-L175 HydrophobicContact CG2-CG 4.31Å; I171-L175 WeakPolarHBondContact O-CB 3.49Å; I171-L175 VanDerWaalsContact O-CG 3.3Å; I171-L175 WeakPolarHBondContact O-CG 3.38Å; I171-L175 PolarHBondContact O-N 2.96Å; C172-L175 PolarHBondContact O-N 3.35Å; L175-A177 VanDerWaalsContact C-N 3.35Å; L175-F178 PolarHBondContact O-N 2.65Å; L175-S179 WeakPolarHBondContact O-CB 3.26Å; L175-S179 PolarHBondContact O-N 3.09Å; L175-S179 PolarHBondContact O-OG 3.43Å
176	V	83.9	Confident	76.3	Confident	95 Å²	95	98.7 Å²	98.7	58%	0.576	56%	0.561	S	S	*	*	H	α-helix	trans	-63.9	-43.2	173.9	171.5	0	0	0	0	110.2	C172 V173 S179 S180	C172-V176 WeakPolarHBondContact O-CB 3.47Å; C172-V176 VanDerWaalsContact O-CG2 3.31Å; C172-V176 WeakPolarHBondContact O-CG2 3.34Å; C172-V176 PolarHBondContact O-N 3.2Å; V173-V176 PolarHBondContact O-N 3.05Å; V176-S179 WeakPolarHBondContact CA-OG 3.31Å; V176-S179 PolarHBondContact O-N 2.99Å; V176-S179 PolarHBondContact O-OG 3.03Å; V176-S180 PolarHBondContact O-N 3.41Å; V176-S180 PolarHBondContact O-OG 3.28Å
177	A	79.9	Confident	73.7	Confident	37 Å²	37	102.4 Å²	102.4	31%	0.306	58%	0.578	S	S	.	*	H	α-helix	trans	-59.4	-51.5	173.3	0	0	0	0	0	111.4	V173 L175 S179 S180 L181	V173-A177 WeakPolarHBondContact O-CB 3.29Å; V173-A177 PolarHBondContact O-N 3.02Å; L175-A177 VanDerWaalsContact C-N 3.35Å; A177-S179 PolarHBondContact O-N 2.94Å; A177-S180 WeakPolarHBondContact CA-OG 3.49Å; A177-S180 CarbonylContact O-C 3.49Å; A177-S180 PolarHBondContact O-N 3Å; A177-S180 PolarHBondContact O-OG 3.37Å; A177-S180 VanDerWaalsContact O-OG 3.09Å; A177-L181 HydrophobicContact CB-CD1 4.39Å; A177-L181 WeakPolarHBondContact O-CD1 3.37Å; A177-L181 PolarHBondContact O-N 3.43Å
178	F	78.9	Confident	71.3	Confident	142 Å²	142	101.3 Å²	101.3	62%	0.623	58%	0.578	S	S	*	*	H	α-helix	trans	-54.8	-49.5	174.8	-106.1	-88.6	0	0	0	111.6	A174 L175 S180 L181 D182	A174-F178 WeakPolarHBondContact O-CB 3.27Å; A174-F178 PolarHBondContact O-N 2.85Å; L175-F178 PolarHBondContact O-N 2.65Å; F178-S180 PolarHBondContact O-N 2.79Å; F178-L181 CarbonylContact O-C 3.58Å; F178-L181 PolarHBondContact O-N 2.68Å; F178-D182 WeakPolarHBondContact O-CB 3.47Å; F178-D182 PolarHBondContact O-N 3.33Å
179	S	74.3	Confident	69.1	Low	82 Å²	82	108.4 Å²	108.4	57%	0.573	60%	0.6	S	S	*	*	H	α-helix	trans	-64.4	-13.2	178.2	72.6	0	0	0	0	115	L175 V176 A177	L175-S179 WeakPolarHBondContact O-CB 3.26Å; L175-S179 PolarHBondContact O-N 3.09Å; L175-S179 PolarHBondContact O-OG 3.43Å; V176-S179 WeakPolarHBondContact CA-OG 3.31Å; V176-S179 PolarHBondContact O-N 2.99Å; V176-S179 PolarHBondContact O-OG 3.03Å; A177-S179 PolarHBondContact O-N 2.94Å
180	S	68.3	Low	67.2	Low	86 Å²	86	106.7 Å²	106.7	60%	0.601	60%	0.595	S	S	*	*	H	α-helix	trans	-107.8	-9.1	172.9	48.4	0	0	0	0	113.8	V176 A177 F178	V176-S180 PolarHBondContact O-N 3.41Å; V176-S180 PolarHBondContact O-OG 3.28Å; A177-S180 WeakPolarHBondContact CA-OG 3.49Å; A177-S180 CarbonylContact O-C 3.49Å; A177-S180 PolarHBondContact O-N 3Å; A177-S180 PolarHBondContact O-OG 3.37Å; A177-S180 VanDerWaalsContact O-OG 3.09Å; F178-S180 PolarHBondContact O-N 2.79Å
181	L	61.6	Low	65.8	Low	124 Å²	124	117.1 Å²	117.1	65%	0.649	62%	0.623	S	S	*	*	H	α-helix	trans	-86.2	-27.9	163.3	-87.8	86.6	0	0	0	111.8	A177 F178 T183	A177-L181 HydrophobicContact CB-CD1 4.39Å; A177-L181 WeakPolarHBondContact O-CD1 3.37Å; A177-L181 PolarHBondContact O-N 3.43Å; F178-L181 CarbonylContact O-C 3.58Å; F178-L181 PolarHBondContact O-N 2.68Å; L181-T183 VanDerWaalsContact C-N 3.31Å; L181-T183 PolarHBondContact O-N 2.89Å
182	D	48.4	Very low	65.1	Low	109 Å²	109	115.8 Å²	115.8	58%	0.583	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	74.7	177.8	-72.7	-31	0	0	0	112.4	F178	F178-D182 WeakPolarHBondContact O-CB 3.47Å; F178-D182 PolarHBondContact O-N 3.33Å
183	T	48	Very low	64.9	Low	133 Å²	133	119.5 Å²	119.5	82%	0.816	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.1	13.2	145.2	17.9	0	0	0	0	112.8	L181 L185	L181-T183 VanDerWaalsContact C-N 3.31Å; L181-T183 PolarHBondContact O-N 2.89Å; T183-L185 PolarHBondContact O-N 2.97Å
184	R	48.7	Very low	64.9	Low	228 Å²	228	117.9 Å²	117.9	86%	0.86	62%	0.618	S	S	*	*			trans	-72.3	99.8	164.1	-67.5	-164.5	-178.5	-139.9	-0.8	108.6
185	L	48.2	Very low	65.2	Low	143 Å²	143	118.8 Å²	118.8	75%	0.749	62%	0.616	S	S	*	*			trans	-44.8	140.4	168.7	-70.8	164.7	0	0	0	109.6	T183 M187	T183-L185 PolarHBondContact O-N 2.97Å; L185-M187 PolarHBondContact O-N 3.23Å
186	P	43.2	Very low	65.6	Low	103 Å²	103	117.1 Å²	117.1	67%	0.669	61%	0.612	S	S	*	*			trans	-63	103	-175	25.8	-33.9	0	0	0	110.2	S188	P186-S188 PolarHBondContact O-N 3.48Å
187	M	41.1	Very low	66.2	Low	173 Å²	173	117 Å²	117	85%	0.852	60%	0.601	S	S	*	*			trans	-62.5	114.4	173.5	-72.1	-165.7	-60.2	0	0	109.2	L185 K189	L185-M187 PolarHBondContact O-N 3.23Å; M187-K189 PolarHBondContact O-N 2.59Å
188	S	42.8	Very low	67	Low	62 Å²	62	115.7 Å²	115.7	43%	0.434	59%	0.589	S	S	.	*			trans	-55.3	135.7	172.4	-178.2	0	0	0	0	110.2	P186 S190	P186-S188 PolarHBondContact O-N 3.48Å; S188-S190 PolarHBondContact O-N 2.76Å; S188-S190 PolarHBondContact OG-N 2.87Å; S188-S190 PolarHBondContact OG-OG 3.32Å
189	K	46.6	Very low	68	Low	215 Å²	215	109.1 Å²	109.1	94%	0.935	56%	0.56	S	S	*	*	S	Bend	trans	-76.1	-0.3	176.1	-78.6	179.5	175.8	173.5	0	113.5	M187	M187-K189 PolarHBondContact O-N 2.59Å
190	S	54	Low	69.1	Low	54 Å²	54	105.7 Å²	105.7	38%	0.378	54%	0.535	S	S	.	.	S	Bend	trans	-71.6	130.7	170.1	53.5	0	0	0	0	110.6	S188 I192	S188-S190 PolarHBondContact O-N 2.76Å; S188-S190 PolarHBondContact OG-N 2.87Å; S188-S190 PolarHBondContact OG-OG 3.32Å; S190-I192 PolarHBondContact O-N 3.29Å; S190-I192 WeakPolarHBondContact OG-CD1 3.19Å; S190-I192 WeakPolarHBondContact OG-CG1 3.29Å
191	R	63.8	Low	70.5	Confident	260 Å²	260	101.6 Å²	101.6	98%	0.981	51%	0.507	S	S	*	.			trans	-73.6	71.2	168.8	-67.2	-178	-179.2	176.8	-0.2	110
192	I	78.1	Confident	72.1	Confident	62 Å²	62	97.9 Å²	97.9	32%	0.318	49%	0.487	S	S	.	.			trans	-82.8	132.7	172.3	-65	171.6	0	0	0	107.9	S190 L194 P250	S190-I192 PolarHBondContact O-N 3.29Å; S190-I192 WeakPolarHBondContact OG-CD1 3.19Å; S190-I192 WeakPolarHBondContact OG-CG1 3.29Å; I192-L194 PolarHBondContact O-N 3.33Å; I192-P250 HydrophobicContact CD1-CB 3.62Å
193	L	86.9	Confident	74.3	Confident	148 Å²	148	93.6 Å²	93.6	78%	0.775	46%	0.464	S	S	*	.			trans	-78.6	115.1	167.3	177.6	62.6	0	0	0	107.4
194	L	91.9	Very high	76.2	Confident	59 Å²	59	91.1 Å²	91.1	31%	0.309	45%	0.449	S	S	.	.			trans	-71.4	130.6	176.8	-64.3	177.3	0	0	0	110.3	I192 S252 N281 A282	I192-L194 PolarHBondContact O-N 3.33Å; L194-S252 CarbonylContact C-O 3.55Å; L194-S252 WeakPolarHBondContact CA-O 3.31Å; L194-N281 HydrophobicContact CD1-CB 4.05Å; L194-N281 WeakPolarHBondContact CD1-O 3.23Å; L194-A282 HydrophobicContact CD1-CB 4.37Å
195	N	94.4	Very high	77.8	Confident	69 Å²	69	84.1 Å²	84.1	37%	0.369	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.3	173.7	176.4	-1.1	0	0	0	109.1	R197 D198 S252 G254	N195-R197 PolarHBondContact O-N 2.84Å; N195-R197 WeakPolarHBondContact OD1-CB 3.42Å; N195-R197 PolarHBondContact OD1-N 2.74Å; N195-D198 HydrophobicContact CB-CB 3.72Å; N195-D198 WeakPolarHBondContact O-CB 2.94Å; N195-D198 PolarHBondContact O-N 3.41Å; N195-S252 PolarHBondContact N-O 3.23Å; N195-G254 WeakPolarHBondContact O-CA 3.29Å; N195-G254 PolarHBondContact O-N 3.4Å
196	P	94.8	Very high	79.5	Confident	76 Å²	76	80.3 Å²	80.3	49%	0.494	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-7.3	-177.5	29.4	-36.3	0	0	0	114.1	K255	P196-K255 PolarHBondContact O-NZ 3.16Å
197	R	96.8	Very high	81.2	Confident	93 Å²	93	78.5 Å²	78.5	35%	0.351	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	3.2	174.1	-50.4	-160.2	67.2	70.5	2.3	113.8	N195 T236 F237 M238	N195-R197 PolarHBondContact O-N 2.84Å; N195-R197 WeakPolarHBondContact OD1-CB 3.42Å; N195-R197 PolarHBondContact OD1-N 2.74Å; R197-T236 VanDerWaalsContact CZ-OG1 3.3Å; R197-T236 PolarHBondContact NE-O 2.8Å; R197-T236 PolarHBondContact NE-OG1 3.05Å; R197-T236 VanDerWaalsContact NE-OG1 3.17Å; R197-T236 PolarHBondContact NH2-OG1 3.2Å; R197-F237 HydrophobicContact CB-CD1 4.14Å; R197-F237 HydrophobicContact CB-CE1 4.46Å; R197-F237 CarbonylContact O-C 3.54Å; R197-F237 WeakPolarHBondContact O-CA 3.26Å; R197-F237 WeakPolarHBondContact O-CD1 3.25Å; R197-M238 PolarHBondContact O-N 3.24Å
198	D	97.1	Very high	82.8	Confident	8 Å²	8	70.8 Å²	70.8	4%	0.043	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.8	177.8	176.3	-16	0	0	0	108.2	N195 M238 H240 S252 S253 G254 K255	N195-D198 HydrophobicContact CB-CB 3.72Å; N195-D198 WeakPolarHBondContact O-CB 2.94Å; N195-D198 PolarHBondContact O-N 3.41Å; D198-M238 WeakPolarHBondContact CA-O 3.41Å; D198-H240 IonicContact OD1-CD2 2.75Å; D198-H240 PolarHBondContact OD1-CD2 2.98Å; D198-H240 VanDerWaalsContact OD1-CD2 3.24Å; D198-H240 IonicContact OD1-NE2 3.67Å; D198-H240 PolarHBondContact OD1-NE2 3.39Å; D198-S252 PolarHBondContact OD2-OG 2.95Å; D198-S253 VanDerWaalsContact CG-CA 3.42Å; D198-S253 CarbonylContact O-C 3.6Å; D198-S253 WeakPolarHBondContact O-CA 3.32Å; D198-S253 VanDerWaalsContact OD1-CA 3.28Å; D198-S253 WeakPolarHBondContact OD1-CA 3.14Å; D198-S253 VanDerWaalsContact OD1-CB 3.23Å; D198-S253 WeakPolarHBondContact OD1-CB 3.18Å; D198-S253 PolarHBondContact OD1-OG 2.94Å; D198-S253 PolarHBondContact OD2-N 2.94Å; D198-G254 PolarHBondContact O-N 2.86Å; D198-K255 PolarHBondContact O-N 3.22Å; D198-K255 VanDerWaalsContact O-N 3.15Å
199	I	98	Very high	84.1	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.5	-172.3	-44.6	-171.2	0	0	0	111.1	L231 F237 M238 V239 H240 K255 L257 L278 L314	I199-L231 HydrophobicContact CD1-CD1 4.39Å; I199-F237 HydrophobicContact CD1-CB 4.49Å; I199-F237 HydrophobicContact CD1-CD1 3.62Å; I199-F237 HydrophobicContact CD1-CE1 4.1Å; I199-F237 HydrophobicContact CD1-CG 4.19Å; I199-F237 HydrophobicContact CG1-CD1 3.95Å; I199-M238 PolarHBondContact N-O 3.05Å; I199-V239 HydrophobicContact CB-CG1 4.35Å; I199-V239 HydrophobicContact CB-CG2 4.18Å; I199-V239 HydrophobicContact CG1-CG2 4.46Å; I199-V239 VanDerWaalsContact O-CA 3.31Å; I199-V239 WeakPolarHBondContact O-CA 3.43Å; I199-V239 WeakPolarHBondContact O-CG1 3.42Å; I199-H240 PolarHBondContact O-N 3.13Å; I199-K255 WeakPolarHBondContact CA-O 3.31Å; I199-K255 HydrophobicContact CD1-CD 4.42Å; I199-K255 HydrophobicContact CG1-CB 4.17Å; I199-K255 HydrophobicContact CG2-CB 4.21Å; I199-L257 HydrophobicContact CG2-CB 4.47Å; I199-L278 HydrophobicContact CG2-CD1 4.39Å; I199-L314 HydrophobicContact CD1-CD1 4.01Å; I199-L314 HydrophobicContact CD1-CD2 3.91Å
200	D	97.9	Very high	85.3	Confident	10 Å²	10	67.2 Å²	67.2	5%	0.053	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.4	167	-82.6	-30.8	0	0	0	110.7	H240 K242 S251 S253 K255 T256 L257	D200-H240 WeakPolarHBondContact OD1-CB 3.03Å; D200-H240 IonicContact OD1-CG 2.63Å; D200-K242 HydrophobicContact CB-CD 4.32Å; D200-K242 VanDerWaalsContact OD1-CD 3.27Å; D200-K242 WeakPolarHBondContact OD1-CD 3.47Å; D200-K242 WeakPolarHBondContact OD1-CE 3.47Å; D200-K242 IonicContact OD1-NZ 2.97Å; D200-K242 PolarHBondContact OD1-NZ 2.81Å; D200-K242 IonicContact OD2-NZ 2.7Å; D200-K242 PolarHBondContact OD2-NZ 2.86Å; D200-S251 WeakPolarHBondContact OD2-CB 3.47Å; D200-S251 PolarHBondContact OD2-OG 3Å; D200-S253 PolarHBondContact OD1-OG 3.37Å; D200-S253 PolarHBondContact OD2-OG 3.48Å; D200-K255 PolarHBondContact N-O 2.93Å; D200-K255 VanDerWaalsContact N-O 3.09Å; D200-T256 HydrophobicContact CB-CG2 4.32Å; D200-T256 CarbonylContact O-C 3.54Å; D200-T256 WeakPolarHBondContact O-CA 3.5Å; D200-L257 PolarHBondContact O-N 3.01Å
201	I	98.1	Very high	85.6	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114.6	166.1	-50.4	-173	0	0	0	109.6	G224 V227 A228 V239 H240 K242 I243 L257 I259	I201-G224 WeakPolarHBondContact CD1-O 3.41Å; I201-V227 HydrophobicContact CD1-CB 4.18Å; I201-V227 HydrophobicContact CD1-CG1 3.91Å; I201-A228 HydrophobicContact CD1-CB 3.87Å; I201-V239 HydrophobicContact CD1-CG1 3.74Å; I201-V239 HydrophobicContact CG1-CG1 3.65Å; I201-H240 PolarHBondContact N-O 3.36Å; I201-K242 CarbonylContact O-C 3.55Å; I201-K242 VanDerWaalsContact O-CA 3.3Å; I201-K242 WeakPolarHBondContact O-CA 3.22Å; I201-K242 WeakPolarHBondContact O-CB 3.37Å; I201-K242 PolarHBondContact O-N 2.9Å; I201-I243 HydrophobicContact CG2-CD1 3.91Å; I201-I243 HydrophobicContact CG2-CG1 4.06Å; I201-I243 PolarHBondContact O-N 2.96Å; I201-L257 WeakPolarHBondContact CA-O 3.31Å; I201-L257 HydrophobicContact CD1-CD2 4.17Å; I201-L257 HydrophobicContact CG1-CB 4.26Å; I201-L257 HydrophobicContact CG1-CD2 4.27Å; I201-L257 HydrophobicContact CG2-CD2 4.38Å; I201-I259 HydrophobicContact CG2-CD1 4.24Å
202	N	95.5	Very high	85.8	Confident	46 Å²	46	62.5 Å²	62.5	25%	0.246	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.4	-177.1	-71.9	-28	0	0	0	111.5	K242 T256 L257 S258 I259	N202-K242 VanDerWaalsContact OD1-CB 3.23Å; N202-K242 WeakPolarHBondContact OD1-CB 3.44Å; N202-T256 HydrophobicContact CB-CG2 4.44Å; N202-T256 WeakPolarHBondContact ND2-CG2 3.42Å; N202-L257 PolarHBondContact N-O 3.21Å; N202-S258 WeakPolarHBondContact O-CA 3.44Å; N202-I259 PolarHBondContact O-N 3.4Å
203	M	93.8	Very high	85.8	Confident	20 Å²	20	60.9 Å²	60.9	10%	0.099	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.9	171.4	-170.1	174.1	-69.5	0	0	112.7	K206 L217 A220 I221 I243 I259 F261	M203-K206 HydrophobicContact CB-CG 4.43Å; M203-K206 HydrophobicContact CG-CG 3.86Å; M203-K206 HydrophobicContact SD-CG 3.89Å; M203-L217 HydrophobicContact CE-CD1 4.46Å; M203-L217 HydrophobicContact SD-CD1 3.48Å; M203-L217 WeakPolarHBondContact SD-CD1 3.41Å; M203-A220 HydrophobicContact CE-CB 3.58Å; M203-I221 HydrophobicContact CE-CG1 4.16Å; M203-I243 HydrophobicContact CB-CB 4.32Å; M203-I243 HydrophobicContact CB-CG1 4.04Å; M203-I243 HydrophobicContact CB-CG2 3.95Å; M203-I243 HydrophobicContact CE-CD1 4.1Å; M203-I243 HydrophobicContact CE-CG1 4.35Å; M203-I243 HydrophobicContact CE-CG2 3.65Å; M203-I243 HydrophobicContact SD-CG2 4.1Å; M203-I259 CarbonylContact C-O 3.4Å; M203-I259 WeakPolarHBondContact CA-O 2.95Å; M203-I259 HydrophobicContact CE-CG2 4.3Å; M203-F261 HydrophobicContact SD-CE2 4.28Å
204	V	87.9	Confident	85.5	Confident	80 Å²	80	56.3 Å²	56.3	49%	0.485	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.8	-178	-171.7	0	0	0	0	110.3	K206 I259 A260	V204-K206 PolarHBondContact O-N 2.96Å; V204-I259 PolarHBondContact N-O 3.31Å; V204-A260 HydrophobicContact CB-CB 4.12Å; V204-A260 WeakPolarHBondContact O-CA 3.34Å
205	N	83.4	Confident	85.2	Confident	81 Å²	81	60.3 Å²	60.3	43%	0.433	32%	0.322	S	S	.	.			trans	56.2	49.3	177.3	-167	35.1	0	0	0	114	S207 F261	N205-S207 PolarHBondContact O-N 2.95Å; N205-S207 VanDerWaalsContact O-N 3.1Å; N205-F261 PolarHBondContact ND2-O 3.5Å
206	K	82.5	Confident	85	Confident	64 Å²	64	57.8 Å²	57.8	28%	0.278	31%	0.308	S	S	.	.	S	Bend	trans	-49.6	-32.6	175.2	-64.1	174.3	-179.3	172.1	0	112.9	M203 V204 L217 I243 N246	M203-K206 HydrophobicContact CB-CG 4.43Å; M203-K206 HydrophobicContact CG-CG 3.86Å; M203-K206 HydrophobicContact SD-CG 3.89Å; V204-K206 PolarHBondContact O-N 2.96Å; K206-L217 HydrophobicContact CB-CD1 4.46Å; K206-I243 WeakPolarHBondContact CE-O 3.17Å; K206-I243 PolarHBondContact NZ-O 2.88Å; K206-N246 PolarHBondContact NZ-OD1 3.49Å
207	S	79.5	Confident	84.9	Confident	64 Å²	64	55.6 Å²	55.6	45%	0.448	29%	0.292	S	S	.	.	S	Bend	trans	-101.4	67.7	-177.8	60.6	0	0	0	0	113.6	N205 N209 S210	N205-S207 PolarHBondContact O-N 2.95Å; N205-S207 VanDerWaalsContact O-N 3.1Å; S207-N209 PolarHBondContact O-N 3.43Å; S207-S210 PolarHBondContact O-N 3.48Å; S207-S210 VanDerWaalsContact O-N 3.13Å
208	C	75.9	Confident	84.7	Confident	12 Å²	12	51.2 Å²	51.2	8%	0.081	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-70.1	125.9	-179.3	-156.7	0	0	0	0	112	S210 W211 F261 C272	C208-S210 VanDerWaalsContact C-N 3.34Å; C208-W211 PolarHBondContact O-N 3.12Å; C208-F261 HydrophobicContact CB-CB 3.64Å; C208-C272 HydrophobicContact CB-CB 3.81Å; C208-C272 WeakPolarHBondContact CB-SG 3.29Å; C208-C272 WeakPolarHBondContact SG-CB 3.39Å; C208-C272 CovalentContact SG-SG 2.03Å; C208-C272 PolarHBondContact SG-SG 3.3Å
209	N	69.1	Low	84.7	Confident	80 Å²	80	51 Å²	51	43%	0.428	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	67.4	24.9	-169.3	-51.5	-31.4	0	0	0	114.9	S207 W211 N263 Q270	S207-N209 PolarHBondContact O-N 3.43Å; N209-W211 PolarHBondContact O-N 3.21Å; N209-N263 PolarHBondContact ND2-ND2 2.92Å; N209-N263 PolarHBondContact OD1-ND2 2.94Å; N209-Q270 PolarHBondContact ND2-O 3.28Å
210	S	72.3	Confident	84.6	Confident	121 Å²	121	50.8 Å²	50.8	85%	0.846	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	63.5	17	-173.6	-37.3	0	0	0	0	114	S207 C208	S207-S210 PolarHBondContact O-N 3.48Å; S207-S210 VanDerWaalsContact O-N 3.13Å; C208-S210 VanDerWaalsContact C-N 3.34Å
211	W	60.9	Low	84.5	Confident	161 Å²	161	51.2 Å²	51.2	61%	0.61	28%	0.275	S	S	*	.	S	Bend	trans	-139.3	122.1	176.2	-177.1	73.5	0	0	0	109.2	C208 N209 S213	C208-W211 PolarHBondContact O-N 3.12Å; N209-W211 PolarHBondContact O-N 3.21Å; W211-S213 VanDerWaalsContact CZ3-CA 3.42Å; W211-S213 PolarHBondContact O-N 3.42Å
212	S	66.8	Low	84.5	Confident	55 Å²	55	51.4 Å²	51.4	39%	0.385	28%	0.277	S	S	.	.			trans	-73.8	119.8	169.3	40	0	0	0	0	108.8	P214	S212-P214 VanDerWaalsContact O-CD 3.24Å; S212-P214 WeakPolarHBondContact O-CD 3.35Å
213	S	77.7	Confident	84.6	Confident	28 Å²	28	49.3 Å²	49.3	20%	0.196	27%	0.266	C	S	.	.			trans	-72	112.1	166.6	-179.5	0	0	0	0	107.8	W211 Y215 Q216 L217	W211-S213 VanDerWaalsContact CZ3-CA 3.42Å; W211-S213 PolarHBondContact O-N 3.42Å; S213-Y215 PolarHBondContact O-N 2.95Å; S213-Q216 PolarHBondContact O-N 2.99Å; S213-Q216 VanDerWaalsContact O-N 3.17Å; S213-L217 VanDerWaalsContact O-CB 3.31Å; S213-L217 WeakPolarHBondContact O-CB 3.2Å; S213-L217 PolarHBondContact O-N 3.32Å
214	P	81	Confident	84.8	Confident	51 Å²	51	48.4 Å²	48.4	33%	0.331	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-36.9	-173.8	23.5	-33.3	0	0	0	111	S212 L217 S218	S212-P214 VanDerWaalsContact O-CD 3.24Å; S212-P214 WeakPolarHBondContact O-CD 3.35Å; P214-L217 PolarHBondContact O-N 3.18Å; P214-S218 WeakPolarHBondContact O-CB 3.42Å; P214-S218 PolarHBondContact O-N 3.35Å; P214-S218 PolarHBondContact O-OG 2.69Å
215	Y	85.6	Confident	85.3	Confident	143 Å²	143	45.4 Å²	45.4	56%	0.561	24%	0.243	S	C	*	.	H	α-helix	trans	-66.4	-40.8	178.5	-45.5	-53.2	0	0	0	114	S213 Y219 T338	S213-Y215 PolarHBondContact O-N 2.95Å; Y215-Y219 VanDerWaalsContact O-CB 3.31Å; Y215-Y219 WeakPolarHBondContact O-CB 3.36Å; Y215-Y219 PolarHBondContact O-N 3.01Å; Y215-T338 HydrophobicContact CD1-CG2 3.35Å; Y215-T338 HydrophobicContact CE1-CG2 4.11Å; Y215-T338 HydrophobicContact CG-CG2 3.87Å
216	Q	89.9	Confident	86	Confident	16 Å²	16	42.7 Å²	42.7	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-75.2	-37.1	176.3	-66.6	-167.3	-6.4	0	0	111.2	S213 A220 F261 Q271 C272 I294	S213-Q216 PolarHBondContact O-N 2.99Å; S213-Q216 VanDerWaalsContact O-N 3.17Å; Q216-A220 VanDerWaalsContact O-CB 3.29Å; Q216-A220 WeakPolarHBondContact O-CB 3.5Å; Q216-A220 PolarHBondContact O-N 2.84Å; Q216-F261 HydrophobicContact CB-CE1 3.76Å; Q216-F261 HydrophobicContact CB-CZ 4Å; Q216-F261 WeakPolarHBondContact O-CZ 3.02Å; Q216-Q271 VanDerWaalsContact NE2-CG 3.26Å; Q216-C272 PolarHBondContact NE2-O 2.93Å; Q216-I294 HydrophobicContact CB-CD1 4.34Å; Q216-I294 HydrophobicContact CG-CD1 4.21Å
217	L	92.8	Very high	86.7	Confident	31 Å²	31	39.8 Å²	39.8	16%	0.162	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-51.5	-177.6	-177.6	60	0	0	0	111.2	M203 K206 S213 P214 Y219 A220 I221 F261	M203-L217 HydrophobicContact CE-CD1 4.46Å; M203-L217 HydrophobicContact SD-CD1 3.48Å; M203-L217 WeakPolarHBondContact SD-CD1 3.41Å; K206-L217 HydrophobicContact CB-CD1 4.46Å; S213-L217 VanDerWaalsContact O-CB 3.31Å; S213-L217 WeakPolarHBondContact O-CB 3.2Å; S213-L217 PolarHBondContact O-N 3.32Å; P214-L217 PolarHBondContact O-N 3.18Å; L217-Y219 VanDerWaalsContact C-N 3.32Å; L217-Y219 PolarHBondContact O-N 2.81Å; L217-A220 PolarHBondContact O-N 3.09Å; L217-A220 VanDerWaalsContact O-N 3.13Å; L217-I221 HydrophobicContact CD1-CD1 4.12Å; L217-I221 HydrophobicContact CD1-CG1 4.36Å; L217-I221 HydrophobicContact CG-CD1 3.87Å; L217-I221 VanDerWaalsContact O-CG1 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.5Å; L217-I221 PolarHBondContact O-N 3.49Å; L217-F261 HydrophobicContact CD1-CE2 4.26Å
218	S	94	Very high	87.7	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-37.3	177.8	57.9	0	0	0	0	112.3	P214 I221 G222	P214-S218 WeakPolarHBondContact O-CB 3.42Å; P214-S218 PolarHBondContact O-N 3.35Å; P214-S218 PolarHBondContact O-OG 2.69Å; S218-I221 PolarHBondContact O-N 2.89Å; S218-G222 PolarHBondContact O-N 3.47Å
219	Y	95.9	Very high	88.7	Confident	3 Å²	3	37.3 Å²	37.3	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-48.3	170.1	170.6	-116.9	0	0	0	112.4	Y215 L217 I221 G222 V223 M274 I294 Q299 I302 Y341	Y215-Y219 VanDerWaalsContact O-CB 3.31Å; Y215-Y219 WeakPolarHBondContact O-CB 3.36Å; Y215-Y219 PolarHBondContact O-N 3.01Å; L217-Y219 VanDerWaalsContact C-N 3.32Å; L217-Y219 PolarHBondContact O-N 2.81Å; Y219-I221 VanDerWaalsContact C-N 3.33Å; Y219-I221 PolarHBondContact O-N 3.34Å; Y219-G222 PolarHBondContact O-N 3.1Å; Y219-V223 HydrophobicContact CD2-CG2 3.84Å; Y219-V223 HydrophobicContact CE1-CG2 4.22Å; Y219-V223 HydrophobicContact CE2-CG2 3.29Å; Y219-V223 WeakPolarHBondContact O-CG2 3.41Å; Y219-V223 PolarHBondContact O-N 3.1Å; Y219-M274 HydrophobicContact CD1-CE 4.47Å; Y219-M274 HydrophobicContact CE1-CE 3.7Å; Y219-M274 HydrophobicContact CE1-SD 4.43Å; Y219-I294 HydrophobicContact CD1-CD1 3.71Å; Y219-I294 HydrophobicContact CD1-CG1 4.09Å; Y219-I294 HydrophobicContact CD1-CG2 4.09Å; Y219-I294 HydrophobicContact CE1-CD1 3.9Å; Y219-I294 HydrophobicContact CE1-CG1 3.88Å; Y219-I294 HydrophobicContact CE1-CG2 4.24Å; Y219-Q299 HydrophobicContact CD2-CB 3.89Å; Y219-Q299 HydrophobicContact CD2-CG 4Å; Y219-Q299 HydrophobicContact CE2-CB 3.5Å; Y219-Q299 HydrophobicContact CE2-CG 4.05Å; Y219-Q299 HydrophobicContact CG-CG 4.28Å; Y219-Q299 PolarHBondContact OH-O 2.86Å; Y219-I302 WeakPolarHBondContact OH-CB 3.36Å; Y219-I302 WeakPolarHBondContact OH-CG2 3.5Å; Y219-Y341 HydrophobicContact CD2-CD1 4.44Å; Y219-Y341 AromaticContact CD2-CD2 3.73Å; Y219-Y341 HydrophobicContact CD2-CD2 3.73Å; Y219-Y341 HydrophobicContact CD2-CE1 4.21Å; Y219-Y341 AromaticContact CD2-CE2 3.49Å; Y219-Y341 HydrophobicContact CD2-CE2 3.49Å; Y219-Y341 VanDerWaalsContact CD2-CE2 3.49Å; Y219-Y341 HydrophobicContact CD2-CG 4.23Å; Y219-Y341 AromaticContact CD2-CZ 3.75Å; Y219-Y341 AromaticContact CE2-CE2 3.96Å; Y219-Y341 HydrophobicContact CE2-CE2 3.96Å
220	A	96.3	Very high	90.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.7	-32.8	-179.6	0	0	0	0	0	112.8	M203 Q216 L217 G224 I259 F261 M274	M203-A220 HydrophobicContact CE-CB 3.58Å; Q216-A220 VanDerWaalsContact O-CB 3.29Å; Q216-A220 WeakPolarHBondContact O-CB 3.5Å; Q216-A220 PolarHBondContact O-N 2.84Å; L217-A220 PolarHBondContact O-N 3.09Å; L217-A220 VanDerWaalsContact O-N 3.13Å; A220-G224 PolarHBondContact O-N 2.68Å; A220-G224 VanDerWaalsContact O-N 3.12Å; A220-I259 HydrophobicContact CB-CG2 4.21Å; A220-F261 HydrophobicContact CB-CE1 4.46Å; A220-F261 HydrophobicContact CB-CE2 4.32Å; A220-F261 HydrophobicContact CB-CZ 3.63Å; A220-M274 HydrophobicContact CB-SD 3.93Å
221	I	96.8	Very high	91.4	Very high	18 Å²	18	28.2 Å²	28.2	9%	0.092	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-53.3	171	-69.9	165.1	0	0	0	109.7	M203 L217 S218 Y219 V223 G224 D225 I243 L348	M203-I221 HydrophobicContact CE-CG1 4.16Å; L217-I221 HydrophobicContact CD1-CD1 4.12Å; L217-I221 HydrophobicContact CD1-CG1 4.36Å; L217-I221 HydrophobicContact CG-CD1 3.87Å; L217-I221 VanDerWaalsContact O-CG1 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.5Å; L217-I221 PolarHBondContact O-N 3.49Å; S218-I221 PolarHBondContact O-N 2.89Å; Y219-I221 VanDerWaalsContact C-N 3.33Å; Y219-I221 PolarHBondContact O-N 3.34Å; I221-V223 VanDerWaalsContact C-N 3.33Å; I221-V223 PolarHBondContact O-N 2.81Å; I221-G224 WeakPolarHBondContact O-CA 3.46Å; I221-G224 PolarHBondContact O-N 2.94Å; I221-D225 PolarHBondContact O-N 3.43Å; I221-I243 HydrophobicContact CG1-CG2 3.82Å; I221-L348 HydrophobicContact CG2-CD1 3.44Å; I221-L348 VanDerWaalsContact CG2-CD1 3.44Å
222	G	97.4	Very high	93.1	Very high	4 Å²	4	20.8 Å²	20.8	4%	0.041	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-32.3	-179.6	0	0	0	0	0	114	S218 Y219 G224 L226	S218-G222 PolarHBondContact O-N 3.47Å; Y219-G222 PolarHBondContact O-N 3.1Å; G222-G224 VanDerWaalsContact C-N 3.35Å; G222-L226 WeakPolarHBondContact O-CB 3.49Å; G222-L226 PolarHBondContact O-N 3.44Å
223	V	97.4	Very high	94.6	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.012	10%	0.104	C	C	.	.	H	α-helix	trans	-65.2	-39.1	170.6	168.2	0	0	0	0	111.4	Y219 I221 V227 L306	Y219-V223 HydrophobicContact CD2-CG2 3.84Å; Y219-V223 HydrophobicContact CE1-CG2 4.22Å; Y219-V223 HydrophobicContact CE2-CG2 3.29Å; Y219-V223 WeakPolarHBondContact O-CG2 3.41Å; Y219-V223 PolarHBondContact O-N 3.1Å; I221-V223 VanDerWaalsContact C-N 3.33Å; I221-V223 PolarHBondContact O-N 2.81Å; V223-V227 WeakPolarHBondContact O-CB 3.49Å; V223-V227 VanDerWaalsContact O-CG2 3.25Å; V223-V227 WeakPolarHBondContact O-CG2 3.34Å; V223-V227 PolarHBondContact O-N 3.33Å; V223-L306 HydrophobicContact CG1-CD2 3.51Å
224	G	97.7	Very high	95.6	Very high	1 Å²	1	20 Å²	20	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-64.7	-52.5	176.2	0	0	0	0	0	112.9	I201 A220 I221 G222 L226 V227 A228	I201-G224 WeakPolarHBondContact CD1-O 3.41Å; A220-G224 PolarHBondContact O-N 2.68Å; A220-G224 VanDerWaalsContact O-N 3.12Å; I221-G224 WeakPolarHBondContact O-CA 3.46Å; I221-G224 PolarHBondContact O-N 2.94Å; G222-G224 VanDerWaalsContact C-N 3.35Å; G224-L226 VanDerWaalsContact C-N 3.31Å; G224-L226 PolarHBondContact O-N 3.2Å; G224-V227 PolarHBondContact O-N 3.25Å; G224-V227 VanDerWaalsContact O-N 3.15Å; G224-A228 PolarHBondContact O-N 3.2Å
225	D	98.4	Very high	96.4	Very high	17 Å²	17	18.5 Å²	18.5	9%	0.091	9%	0.092	C	C	.	.	H	α-helix	trans	-60.1	-41.5	177.6	-172.1	25	0	0	0	111.2	I221 V227 A228 T229 H344	I221-D225 PolarHBondContact O-N 3.43Å; D225-V227 PolarHBondContact O-N 3Å; D225-A228 PolarHBondContact O-N 3.38Å; D225-T229 VanDerWaalsContact O-CB 3.23Å; D225-T229 WeakPolarHBondContact O-CB 3.09Å; D225-T229 PolarHBondContact O-N 3.25Å; D225-T229 PolarHBondContact O-OG1 3.17Å; D225-T229 VanDerWaalsContact O-OG1 3.14Å; D225-T229 PolarHBondContact OD1-OG1 3.17Å; D225-H344 IonicContact OD2-CE1 2.73Å; D225-H344 PolarHBondContact OD2-CE1 2.9Å; D225-H344 IonicContact OD2-NE2 3.69Å; D225-H344 PolarHBondContact OD2-NE2 3.05Å
226	L	98.2	Very high	96.9	Very high	25 Å²	25	16.6 Å²	16.6	13%	0.131	10%	0.096	C	C	.	.	H	α-helix	trans	-61.6	-42.7	175.3	-172.9	73	0	0	0	112.4	G222 G224 S230 Q303 L326 I329 L330	G222-L226 WeakPolarHBondContact O-CB 3.49Å; G222-L226 PolarHBondContact O-N 3.44Å; G224-L226 VanDerWaalsContact C-N 3.31Å; G224-L226 PolarHBondContact O-N 3.2Å; L226-S230 WeakPolarHBondContact O-CB 3.49Å; L226-S230 PolarHBondContact O-N 2.86Å; L226-S230 PolarHBondContact O-OG 3.09Å; L226-Q303 VanDerWaalsContact CD2-CD 3.41Å; L226-Q303 HydrophobicContact CD2-CG 4Å; L226-L326 HydrophobicContact CD1-CD2 3.67Å; L226-L326 HydrophobicContact CD2-CD2 3.91Å; L226-L326 HydrophobicContact CG-CD2 4.15Å; L226-I329 HydrophobicContact CD1-CD1 4.12Å; L226-L330 HydrophobicContact CD2-CD1 4.38Å
227	V	98.3	Very high	97.3	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.018	9%	0.093	C	C	.	.	H	α-helix	trans	-66.6	-44.3	177.7	167.6	0	0	0	0	111	I201 V223 G224 D225 L231 L257 L306 L307 L310	I201-V227 HydrophobicContact CD1-CB 4.18Å; I201-V227 HydrophobicContact CD1-CG1 3.91Å; V223-V227 WeakPolarHBondContact O-CB 3.49Å; V223-V227 VanDerWaalsContact O-CG2 3.25Å; V223-V227 WeakPolarHBondContact O-CG2 3.34Å; V223-V227 PolarHBondContact O-N 3.33Å; G224-V227 PolarHBondContact O-N 3.25Å; G224-V227 VanDerWaalsContact O-N 3.15Å; D225-V227 PolarHBondContact O-N 3Å; V227-L231 HydrophobicContact CG1-CD1 3.92Å; V227-L231 WeakPolarHBondContact O-CB 3.49Å; V227-L231 PolarHBondContact O-N 2.93Å; V227-L257 HydrophobicContact CG1-CD2 3.89Å; V227-L306 HydrophobicContact CG2-CD2 4.26Å; V227-L307 HydrophobicContact CG2-CD2 4.09Å; V227-L310 HydrophobicContact CG1-CD1 3.73Å; V227-L310 HydrophobicContact CG2-CD1 3.89Å
228	A	98.6	Very high	97.5	Very high	3 Å²	3	15.9 Å²	15.9	3%	0.025	9%	0.092	C	C	.	.	H	α-helix	trans	-61.6	-55	177.3	0	0	0	0	0	111.5	I201 G224 D225 S230 L231 N232 V239 D241	I201-A228 HydrophobicContact CD1-CB 3.87Å; G224-A228 PolarHBondContact O-N 3.2Å; D225-A228 PolarHBondContact O-N 3.38Å; A228-S230 VanDerWaalsContact C-N 3.31Å; A228-S230 PolarHBondContact O-N 3.44Å; A228-L231 PolarHBondContact O-N 3.01Å; A228-N232 WeakPolarHBondContact O-CB 3.45Å; A228-N232 PolarHBondContact O-N 3.06Å; A228-N232 PolarHBondContact O-ND2 2.95Å; A228-N232 VanDerWaalsContact O-ND2 3.11Å; A228-V239 HydrophobicContact CB-CB 4.26Å; A228-V239 HydrophobicContact CB-CG1 3.79Å; A228-D241 HydrophobicContact CB-CB 4.1Å
229	T	98.4	Very high	97.7	Very high	21 Å²	21	15.8 Å²	15.8	13%	0.129	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-38.6	179.9	-65.2	0	0	0	0	111.5	D225 T233 E447	D225-T229 VanDerWaalsContact O-CB 3.23Å; D225-T229 WeakPolarHBondContact O-CB 3.09Å; D225-T229 PolarHBondContact O-N 3.25Å; D225-T229 PolarHBondContact O-OG1 3.17Å; D225-T229 VanDerWaalsContact O-OG1 3.14Å; D225-T229 PolarHBondContact OD1-OG1 3.17Å; T229-T233 WeakPolarHBondContact O-CB 3.48Å; T229-T233 PolarHBondContact O-N 3Å; T229-T233 PolarHBondContact O-OG1 3.11Å; T229-E447 HydrophobicContact CG2-CG 3.46Å; T229-E447 VanDerWaalsContact CG2-CG 3.46Å
230	S	98.2	Very high	97.8	Very high	6 Å²	6	16.8 Å²	16.8	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-63.7	-46.6	175.4	-64.6	0	0	0	0	112.7	L226 A228 F234	L226-S230 WeakPolarHBondContact O-CB 3.49Å; L226-S230 PolarHBondContact O-N 2.86Å; L226-S230 PolarHBondContact O-OG 3.09Å; A228-S230 VanDerWaalsContact C-N 3.31Å; A228-S230 PolarHBondContact O-N 3.44Å; S230-F234 WeakPolarHBondContact O-CB 3.35Å; S230-F234 WeakPolarHBondContact O-CD2 3.38Å; S230-F234 PolarHBondContact O-N 2.82Å
231	L	98.3	Very high	97.9	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.016	10%	0.096	C	C	.	.	H	α-helix	trans	-67.4	-46	179.1	-79.2	165.1	0	0	0	111.5	I199 V227 A228 T233 S235 F237 V239 L314 Q316 W318	I199-L231 HydrophobicContact CD1-CD1 4.39Å; V227-L231 HydrophobicContact CG1-CD1 3.92Å; V227-L231 WeakPolarHBondContact O-CB 3.49Å; V227-L231 PolarHBondContact O-N 2.93Å; A228-L231 PolarHBondContact O-N 3.01Å; L231-T233 VanDerWaalsContact C-N 3.27Å; L231-T233 PolarHBondContact O-N 3.27Å; L231-S235 WeakPolarHBondContact O-CB 3.24Å; L231-S235 PolarHBondContact O-N 2.73Å; L231-S235 VanDerWaalsContact O-N 3.08Å; L231-S235 PolarHBondContact O-OG 2.78Å; L231-F237 HydrophobicContact CD2-CB 4.42Å; L231-F237 HydrophobicContact CD2-CD2 4.05Å; L231-F237 HydrophobicContact CD2-CG 4.44Å; L231-V239 HydrophobicContact CB-CG2 3.47Å; L231-V239 VanDerWaalsContact CB-CG2 3.47Å; L231-V239 HydrophobicContact CD1-CG2 3.83Å; L231-V239 HydrophobicContact CG-CG2 4.27Å; L231-L314 HydrophobicContact CD1-CD1 4.03Å; L231-L314 HydrophobicContact CD2-CD1 3.88Å; L231-Q316 HydrophobicContact CD2-CG 4.48Å; L231-W318 HydrophobicContact CD2-CH2 3.67Å; L231-W318 HydrophobicContact CD2-CZ3 3.84Å; L231-W318 HydrophobicContact CG-CH2 3.97Å; L231-W318 HydrophobicContact CG-CZ3 4.29Å
232	N	98.2	Very high	97.9	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.032	10%	0.096	C	C	.	.	H	α-helix	trans	-61.2	-33.6	178	-76.8	-42.8	0	0	0	113.1	A228 M238 V239 M448 L479	A228-N232 WeakPolarHBondContact O-CB 3.45Å; A228-N232 PolarHBondContact O-N 3.06Å; A228-N232 PolarHBondContact O-ND2 2.95Å; A228-N232 VanDerWaalsContact O-ND2 3.11Å; N232-M238 WeakPolarHBondContact OD1-CA 3.48Å; N232-V239 PolarHBondContact ND2-O 2.77Å; N232-V239 PolarHBondContact OD1-N 2.92Å; N232-M448 HydrophobicContact CB-CB 4.03Å; N232-M448 HydrophobicContact CB-CG 4.18Å; N232-M448 HydrophobicContact CB-SD 3.94Å; N232-L479 HydrophobicContact CB-CD2 4.31Å; N232-L479 WeakPolarHBondContact ND2-CD2 3.26Å
233	T	98	Very high	97.8	Very high	32 Å²	32	16.9 Å²	16.9	20%	0.196	10%	0.095	C	C	.	.	H	α-helix	trans	-84.3	-41.7	-179.1	-54.1	0	0	0	0	113.2	T229 L231 L446 M448	T229-T233 WeakPolarHBondContact O-CB 3.48Å; T229-T233 PolarHBondContact O-N 3Å; T229-T233 PolarHBondContact O-OG1 3.11Å; L231-T233 VanDerWaalsContact C-N 3.27Å; L231-T233 PolarHBondContact O-N 3.27Å; T233-L446 WeakPolarHBondContact CG2-O 3.39Å; T233-M448 PolarHBondContact OG1-N 3.03Å
234	F	97.7	Very high	97.6	Very high	34 Å²	34	18.2 Å²	18.2	15%	0.149	10%	0.102	C	C	.	.	H	α-helix	trans	-113.9	11	-165.5	-61	-67.1	0	0	0	114.4	S230 P319 R321 M322	S230-F234 WeakPolarHBondContact O-CB 3.35Å; S230-F234 WeakPolarHBondContact O-CD2 3.38Å; S230-F234 PolarHBondContact O-N 2.82Å; F234-P319 HydrophobicContact CB-CG 3.77Å; F234-P319 HydrophobicContact CD1-CG 3.73Å; F234-P319 HydrophobicContact CG-CG 4Å; F234-R321 HydrophobicContact CE1-CB 4.34Å; F234-R321 HydrophobicContact CE1-CG 4.02Å; F234-R321 HydrophobicContact CZ-CG 4.46Å; F234-M322 HydrophobicContact CB-CB 4.45Å; F234-M322 HydrophobicContact CB-SD 4.19Å; F234-M322 HydrophobicContact CD1-CB 4.05Å; F234-M322 HydrophobicContact CD2-CB 3.54Å; F234-M322 HydrophobicContact CD2-CG 3.52Å; F234-M322 HydrophobicContact CD2-SD 3.73Å; F234-M322 HydrophobicContact CE1-CB 4.14Å; F234-M322 HydrophobicContact CE2-CB 3.65Å; F234-M322 HydrophobicContact CE2-CG 3.7Å; F234-M322 HydrophobicContact CE2-SD 4.48Å; F234-M322 HydrophobicContact CG-CB 3.75Å; F234-M322 HydrophobicContact CG-CG 4.16Å; F234-M322 HydrophobicContact CG-SD 4.19Å; F234-M322 HydrophobicContact CZ-CB 3.95Å; F234-M322 HydrophobicContact CZ-CG 4.46Å
235	S	97.5	Very high	97.3	Very high	19 Å²	19	18.8 Å²	18.8	13%	0.133	10%	0.104	C	C	.	.	S	Bend	trans	-145.7	179.4	177.3	81.2	0	0	0	0	112.1	L231 F237 Q316	L231-S235 WeakPolarHBondContact O-CB 3.24Å; L231-S235 PolarHBondContact O-N 2.73Å; L231-S235 VanDerWaalsContact O-N 3.08Å; L231-S235 PolarHBondContact O-OG 2.78Å; S235-F237 WeakPolarHBondContact OG-CB 3.05Å; S235-F237 WeakPolarHBondContact OG-CD2 3.34Å; S235-F237 PolarHBondContact OG-N 3.36Å; S235-Q316 VanDerWaalsContact CB-CD 3.46Å
236	T	96.4	Very high	96.7	Very high	104 Å²	104	24.4 Å²	24.4	64%	0.638	13%	0.134	S	C	*	.	S	Bend	trans	-100.4	25.4	168.6	59.2	0	0	0	0	112.4	R197	R197-T236 VanDerWaalsContact CZ-OG1 3.3Å; R197-T236 PolarHBondContact NE-O 2.8Å; R197-T236 PolarHBondContact NE-OG1 3.05Å; R197-T236 VanDerWaalsContact NE-OG1 3.17Å; R197-T236 PolarHBondContact NH2-OG1 3.2Å
237	F	98	Very high	96	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.026	14%	0.143	C	C	.	.			trans	-84	143.4	162.8	-70.3	-87.4	0	0	0	109.5	R197 I199 L231 S235 V239 L314 Q316	R197-F237 HydrophobicContact CB-CD1 4.14Å; R197-F237 HydrophobicContact CB-CE1 4.46Å; R197-F237 CarbonylContact O-C 3.54Å; R197-F237 WeakPolarHBondContact O-CA 3.26Å; R197-F237 WeakPolarHBondContact O-CD1 3.25Å; I199-F237 HydrophobicContact CD1-CB 4.49Å; I199-F237 HydrophobicContact CD1-CD1 3.62Å; I199-F237 HydrophobicContact CD1-CE1 4.1Å; I199-F237 HydrophobicContact CD1-CG 4.19Å; I199-F237 HydrophobicContact CG1-CD1 3.95Å; L231-F237 HydrophobicContact CD2-CB 4.42Å; L231-F237 HydrophobicContact CD2-CD2 4.05Å; L231-F237 HydrophobicContact CD2-CG 4.44Å; S235-F237 WeakPolarHBondContact OG-CB 3.05Å; S235-F237 WeakPolarHBondContact OG-CD2 3.34Å; S235-F237 PolarHBondContact OG-N 3.36Å; F237-V239 HydrophobicContact CB-CG2 4.29Å; F237-L314 HydrophobicContact CE1-CD2 4.02Å; F237-L314 HydrophobicContact CE2-CB 4.02Å; F237-L314 HydrophobicContact CZ-CB 3.91Å; F237-L314 HydrophobicContact CZ-CD2 3.97Å; F237-L314 HydrophobicContact CZ-CG 4.38Å; F237-Q316 HydrophobicContact CE2-CB 4.2Å; F237-Q316 HydrophobicContact CE2-CG 4.47Å
238	M	97.7	Very high	95.3	Very high	25 Å²	25	32.5 Å²	32.5	12%	0.123	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.4	162.6	-178.2	65.6	-169.2	0	0	107.4	R197 D198 I199 N232 M448 L479	R197-M238 PolarHBondContact O-N 3.24Å; D198-M238 WeakPolarHBondContact CA-O 3.41Å; I199-M238 PolarHBondContact N-O 3.05Å; N232-M238 WeakPolarHBondContact OD1-CA 3.48Å; M238-M448 HydrophobicContact SD-CE 4.32Å; M238-L479 HydrophobicContact CE-CD2 3.87Å; M238-L479 HydrophobicContact CE-CG 4.22Å
239	V	98.4	Very high	94.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.5	-177.5	-170.7	0	0	0	0	110.8	I199 I201 A228 L231 N232 F237	I199-V239 HydrophobicContact CB-CG1 4.35Å; I199-V239 HydrophobicContact CB-CG2 4.18Å; I199-V239 HydrophobicContact CG1-CG2 4.46Å; I199-V239 VanDerWaalsContact O-CA 3.31Å; I199-V239 WeakPolarHBondContact O-CA 3.43Å; I199-V239 WeakPolarHBondContact O-CG1 3.42Å; I201-V239 HydrophobicContact CD1-CG1 3.74Å; I201-V239 HydrophobicContact CG1-CG1 3.65Å; A228-V239 HydrophobicContact CB-CB 4.26Å; A228-V239 HydrophobicContact CB-CG1 3.79Å; L231-V239 HydrophobicContact CB-CG2 3.47Å; L231-V239 VanDerWaalsContact CB-CG2 3.47Å; L231-V239 HydrophobicContact CD1-CG2 3.83Å; L231-V239 HydrophobicContact CG-CG2 4.27Å; N232-V239 PolarHBondContact ND2-O 2.77Å; N232-V239 PolarHBondContact OD1-N 2.92Å; F237-V239 HydrophobicContact CB-CG2 4.29Å
240	H	97.9	Very high	93.7	Very high	24 Å²	24	38.4 Å²	38.4	11%	0.111	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	108.8	-179.3	-56.9	-82.7	0	0	0	108.8	D198 I199 D200 I201 K242 N478	D198-H240 IonicContact OD1-CD2 2.75Å; D198-H240 PolarHBondContact OD1-CD2 2.98Å; D198-H240 VanDerWaalsContact OD1-CD2 3.24Å; D198-H240 IonicContact OD1-NE2 3.67Å; D198-H240 PolarHBondContact OD1-NE2 3.39Å; I199-H240 PolarHBondContact O-N 3.13Å; D200-H240 WeakPolarHBondContact OD1-CB 3.03Å; D200-H240 IonicContact OD1-CG 2.63Å; I201-H240 PolarHBondContact N-O 3.36Å; H240-K242 PolarHBondContact O-N 3.19Å; H240-N478 PolarHBondContact ND1-O 2.72Å
241	D	98.2	Very high	93	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	87.4	174.6	179.7	20.6	0	0	0	110.8	A228 I243 L479 R480 P481	A228-D241 HydrophobicContact CB-CB 4.1Å; D241-I243 PolarHBondContact O-N 2.88Å; D241-I243 WeakPolarHBondContact OD1-CB 3.3Å; D241-I243 VanDerWaalsContact OD1-CD1 3.29Å; D241-I243 WeakPolarHBondContact OD1-CD1 3.47Å; D241-I243 WeakPolarHBondContact OD1-CG1 3.26Å; D241-I243 PolarHBondContact OD1-N 3.26Å; D241-L479 PolarHBondContact N-O 2.92Å; D241-R480 HydrophobicContact CB-CB 4.33Å; D241-R480 HydrophobicContact CB-CG 4.02Å; D241-R480 IonicContact OD2-CZ 3.94Å; D241-R480 IonicContact OD2-NE 3.19Å; D241-R480 PolarHBondContact OD2-NE 3.45Å; D241-R480 IonicContact OD2-NH2 2.69Å; D241-R480 PolarHBondContact OD2-NH2 3.28Å; D241-P481 WeakPolarHBondContact O-CD 3.22Å
242	K	96.7	Very high	92.6	Very high	19 Å²	19	40.2 Å²	40.2	8%	0.083	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-83.8	14.6	175.8	-72.2	178.5	178.6	167.2	0	112.8	D200 I201 N202 H240 N244 Y245 E249 P481	D200-K242 HydrophobicContact CB-CD 4.32Å; D200-K242 VanDerWaalsContact OD1-CD 3.27Å; D200-K242 WeakPolarHBondContact OD1-CD 3.47Å; D200-K242 WeakPolarHBondContact OD1-CE 3.47Å; D200-K242 IonicContact OD1-NZ 2.97Å; D200-K242 PolarHBondContact OD1-NZ 2.81Å; D200-K242 IonicContact OD2-NZ 2.7Å; D200-K242 PolarHBondContact OD2-NZ 2.86Å; I201-K242 CarbonylContact O-C 3.55Å; I201-K242 VanDerWaalsContact O-CA 3.3Å; I201-K242 WeakPolarHBondContact O-CA 3.22Å; I201-K242 WeakPolarHBondContact O-CB 3.37Å; I201-K242 PolarHBondContact O-N 2.9Å; N202-K242 VanDerWaalsContact OD1-CB 3.23Å; N202-K242 WeakPolarHBondContact OD1-CB 3.44Å; H240-K242 PolarHBondContact O-N 3.19Å; K242-N244 VanDerWaalsContact C-N 3.27Å; K242-N244 PolarHBondContact O-N 2.76Å; K242-Y245 HydrophobicContact CD-CD1 4.18Å; K242-Y245 HydrophobicContact CG-CD1 4.04Å; K242-Y245 PolarHBondContact O-N 2.74Å; K242-Y245 VanDerWaalsContact O-N 3.09Å; K242-E249 IonicContact NZ-OE1 3.76Å; K242-P481 HydrophobicContact CG-CG 3.65Å
243	I	96	Very high	92.4	Very high	4 Å²	4	40 Å²	40	2%	0.021	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-61.2	-35.5	177.3	-68.5	173	0	0	0	112.3	I201 M203 K206 I221 D241 I259	I201-I243 HydrophobicContact CG2-CD1 3.91Å; I201-I243 HydrophobicContact CG2-CG1 4.06Å; I201-I243 PolarHBondContact O-N 2.96Å; M203-I243 HydrophobicContact CB-CB 4.32Å; M203-I243 HydrophobicContact CB-CG1 4.04Å; M203-I243 HydrophobicContact CB-CG2 3.95Å; M203-I243 HydrophobicContact CE-CD1 4.1Å; M203-I243 HydrophobicContact CE-CG1 4.35Å; M203-I243 HydrophobicContact CE-CG2 3.65Å; M203-I243 HydrophobicContact SD-CG2 4.1Å; K206-I243 WeakPolarHBondContact CE-O 3.17Å; K206-I243 PolarHBondContact NZ-O 2.88Å; I221-I243 HydrophobicContact CG1-CG2 3.82Å; D241-I243 PolarHBondContact O-N 2.88Å; D241-I243 WeakPolarHBondContact OD1-CB 3.3Å; D241-I243 VanDerWaalsContact OD1-CD1 3.29Å; D241-I243 WeakPolarHBondContact OD1-CD1 3.47Å; D241-I243 WeakPolarHBondContact OD1-CG1 3.26Å; D241-I243 PolarHBondContact OD1-N 3.26Å; I243-I259 HydrophobicContact CD1-CD1 4.07Å
244	N	93.6	Very high	92.3	Very high	31 Å²	31	38.5 Å²	38.5	17%	0.166	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-88.9	-7.1	176.6	-168.6	-113.8	0	0	0	113.6	K242 A483 N484	K242-N244 VanDerWaalsContact C-N 3.27Å; K242-N244 PolarHBondContact O-N 2.76Å; N244-A483 PolarHBondContact OD1-N 3.26Å; N244-N484 VanDerWaalsContact ND2-CG 3.29Å; N244-N484 PolarHBondContact ND2-OD1 2.9Å; N244-N484 WeakPolarHBondContact OD1-CB 3.49Å; N244-N484 PolarHBondContact OD1-N 2.87Å; N244-N484 PolarHBondContact OD1-OD1 3.23Å
245	Y	91.5	Very high	92.3	Very high	13 Å²	13	37.6 Å²	37.6	5%	0.051	21%	0.208	C	C	.	.			trans	-89.7	139.5	-179.7	-162.7	-136.5	0	0	0	110.7	K242 I247 E249 P481 F508	K242-Y245 HydrophobicContact CD-CD1 4.18Å; K242-Y245 HydrophobicContact CG-CD1 4.04Å; K242-Y245 PolarHBondContact O-N 2.74Å; K242-Y245 VanDerWaalsContact O-N 3.09Å; Y245-I247 HydrophobicContact CE1-CB 4.02Å; Y245-I247 HydrophobicContact CE2-CB 4.11Å; Y245-I247 HydrophobicContact CE2-CD1 3.9Å; Y245-I247 HydrophobicContact CE2-CG1 4.11Å; Y245-I247 VanDerWaalsContact OH-CD1 3.3Å; Y245-I247 WeakPolarHBondContact OH-CD1 3.32Å; Y245-E249 HydrophobicContact CE1-CG 4.25Å; Y245-E249 WeakPolarHBondContact CE1-OE1 3.31Å; Y245-E249 PolarHBondContact OH-OE2 3.21Å; Y245-P481 HydrophobicContact CD1-CB 4.29Å; Y245-P481 HydrophobicContact CD1-CG 4.1Å; Y245-P481 HydrophobicContact CD2-CB 3.99Å; Y245-P481 HydrophobicContact CE2-CB 4.45Å; Y245-P481 HydrophobicContact CG-CB 3.93Å; Y245-P481 HydrophobicContact CG-CG 4Å; Y245-P481 PolarHBondContact N-O 2.98Å; Y245-F508 AromaticContact CE2-CE1 3.94Å; Y245-F508 HydrophobicContact CE2-CE1 3.94Å; Y245-F508 HydrophobicContact CE2-CZ 4.31Å; Y245-F508 AromaticContact CZ-CE1 3.88Å; Y245-F508 AromaticContact CZ-CZ 3.77Å; Y245-F508 VanDerWaalsContact OH-CE1 3.26Å; Y245-F508 WeakPolarHBondContact OH-CE1 3.24Å; Y245-F508 WeakPolarHBondContact OH-CZ 3.42Å
246	N	84.8	Confident	92.3	Very high	135 Å²	135	37.5 Å²	37.5	72%	0.722	21%	0.207	S	C	*	.			trans	-119.9	1.7	-174.6	-57.2	-58.7	0	0	0	113.6	K206	K206-N246 PolarHBondContact NZ-OD1 3.49Å
247	I	83.9	Confident	92.4	Very high	64 Å²	64	32.8 Å²	32.8	33%	0.328	18%	0.178	S	C	.	.			trans	-94	142	171.1	-53.8	169	0	0	0	109.6	Y245 E249 E512	Y245-I247 HydrophobicContact CE1-CB 4.02Å; Y245-I247 HydrophobicContact CE2-CB 4.11Å; Y245-I247 HydrophobicContact CE2-CD1 3.9Å; Y245-I247 HydrophobicContact CE2-CG1 4.11Å; Y245-I247 VanDerWaalsContact OH-CD1 3.3Å; Y245-I247 WeakPolarHBondContact OH-CD1 3.32Å; I247-E249 HydrophobicContact CG2-CB 4.42Å; I247-E512 HydrophobicContact CD1-CG 3.32Å; I247-E512 HydrophobicContact CG1-CG 4.1Å
248	D	82.2	Confident	92.3	Very high	134 Å²	134	34.2 Å²	34.2	72%	0.717	19%	0.189	S	C	*	.			trans	-97	114.8	164	-176.2	36.3	0	0	0	108.8
249	E	82.5	Confident	92.3	Very high	61 Å²	61	33.1 Å²	33.1	29%	0.285	18%	0.183	S	C	.	.			trans	-128.4	151.2	-174.7	72.5	-170.5	175.7	0	0	111.6	K242 Y245 I247 S251 F508	K242-E249 IonicContact NZ-OE1 3.76Å; Y245-E249 HydrophobicContact CE1-CG 4.25Å; Y245-E249 WeakPolarHBondContact CE1-OE1 3.31Å; Y245-E249 PolarHBondContact OH-OE2 3.21Å; I247-E249 HydrophobicContact CG2-CB 4.42Å; E249-S251 PolarHBondContact O-N 3.04Å; E249-F508 WeakPolarHBondContact OE2-CE2 3.42Å; E249-F508 VanDerWaalsContact OE2-CZ 3.25Å; E249-F508 WeakPolarHBondContact OE2-CZ 3.34Å
250	P	81.3	Confident	92.1	Very high	87 Å²	87	34 Å²	34	57%	0.565	19%	0.191	S	C	*	.			trans	-63.6	101.1	179.5	-22.7	34.9	0	0	0	113.1	I192	I192-P250 HydrophobicContact CD1-CB 3.62Å
251	S	84.2	Confident	91.8	Very high	33 Å²	33	33.2 Å²	33.2	23%	0.231	19%	0.187	C	C	.	.			trans	-91.6	157.4	177.9	-165.7	0	0	0	0	113.5	D200 E249 S253	D200-S251 WeakPolarHBondContact OD2-CB 3.47Å; D200-S251 PolarHBondContact OD2-OG 3Å; E249-S251 PolarHBondContact O-N 3.04Å; S251-S253 VanDerWaalsContact C-N 3.35Å; S251-S253 PolarHBondContact OG-N 3.21Å; S251-S253 PolarHBondContact OG-OG 3.31Å
252	S	90.4	Very high	91.4	Very high	13 Å²	13	35.8 Å²	35.8	9%	0.091	20%	0.203	C	C	.	.			trans	-83.4	-8	165	48.6	0	0	0	0	114	I62 L194 N195 D198 G254	I62-S252 VanDerWaalsContact CD1-OG 3.27Å; I62-S252 WeakPolarHBondContact CD1-OG 3.47Å; L194-S252 CarbonylContact C-O 3.55Å; L194-S252 WeakPolarHBondContact CA-O 3.31Å; N195-S252 PolarHBondContact N-O 3.23Å; D198-S252 PolarHBondContact OD2-OG 2.95Å; S252-G254 PolarHBondContact O-N 3.46Å
253	S	94.1	Very high	90.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	111.2	-175.5	-50.7	0	0	0	0	111.6	D198 D200 S251 K255 N281	D198-S253 VanDerWaalsContact CG-CA 3.42Å; D198-S253 CarbonylContact O-C 3.6Å; D198-S253 WeakPolarHBondContact O-CA 3.32Å; D198-S253 VanDerWaalsContact OD1-CA 3.28Å; D198-S253 WeakPolarHBondContact OD1-CA 3.14Å; D198-S253 VanDerWaalsContact OD1-CB 3.23Å; D198-S253 WeakPolarHBondContact OD1-CB 3.18Å; D198-S253 PolarHBondContact OD1-OG 2.94Å; D198-S253 PolarHBondContact OD2-N 2.94Å; D200-S253 PolarHBondContact OD1-OG 3.37Å; D200-S253 PolarHBondContact OD2-OG 3.48Å; S251-S253 VanDerWaalsContact C-N 3.35Å; S251-S253 PolarHBondContact OG-N 3.21Å; S251-S253 PolarHBondContact OG-OG 3.31Å; S253-K255 PolarHBondContact O-N 3.44Å; S253-N281 PolarHBondContact O-ND2 3.38Å
254	G	94.5	Very high	90.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-9.1	177.1	0	0	0	0	0	112.9	N195 D198 S252 N281	N195-G254 WeakPolarHBondContact O-CA 3.29Å; N195-G254 PolarHBondContact O-N 3.4Å; D198-G254 PolarHBondContact O-N 2.86Å; S252-G254 PolarHBondContact O-N 3.46Å; G254-N281 PolarHBondContact O-N 3.44Å
255	K	97.7	Very high	89.9	Confident	15 Å²	15	49.8 Å²	49.8	7%	0.065	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154.8	172.4	-65.8	167.1	177.5	49.5	0	111.2	P196 D198 I199 D200 S253 L278 V279 D280 M287 L314	P196-K255 PolarHBondContact O-NZ 3.16Å; D198-K255 PolarHBondContact O-N 3.22Å; D198-K255 VanDerWaalsContact O-N 3.15Å; I199-K255 WeakPolarHBondContact CA-O 3.31Å; I199-K255 HydrophobicContact CD1-CD 4.42Å; I199-K255 HydrophobicContact CG1-CB 4.17Å; I199-K255 HydrophobicContact CG2-CB 4.21Å; D200-K255 PolarHBondContact N-O 2.93Å; D200-K255 VanDerWaalsContact N-O 3.09Å; S253-K255 PolarHBondContact O-N 3.44Å; K255-L278 HydrophobicContact CB-CD1 4.11Å; K255-V279 CarbonylContact C-O 3.44Å; K255-V279 VanDerWaalsContact CA-O 3.24Å; K255-V279 WeakPolarHBondContact CA-O 3.39Å; K255-D280 WeakPolarHBondContact CE-OD2 3.37Å; K255-D280 HydrophobicContact CG-CB 4.49Å; K255-D280 IonicContact NZ-OD2 3.81Å; K255-D280 PolarHBondContact NZ-OD2 3.04Å; K255-M287 HydrophobicContact CD-SD 3.91Å; K255-M287 VanDerWaalsContact CE-SD 3.5Å; K255-M287 HydrophobicContact CG-SD 4.2Å; K255-L314 HydrophobicContact CD-CD2 3.82Å
256	T	97.7	Very high	89.5	Confident	18 Å²	18	55.7 Å²	55.7	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126	172	-59.3	0	0	0	0	110.8	D200 N202 L278 V279 N281	D200-T256 HydrophobicContact CB-CG2 4.32Å; D200-T256 CarbonylContact O-C 3.54Å; D200-T256 WeakPolarHBondContact O-CA 3.5Å; N202-T256 HydrophobicContact CB-CG2 4.44Å; N202-T256 WeakPolarHBondContact ND2-CG2 3.42Å; T256-L278 WeakPolarHBondContact O-CA 3.34Å; T256-V279 PolarHBondContact N-O 3.05Å; T256-V279 PolarHBondContact O-N 2.88Å; T256-N281 PolarHBondContact OG1-ND2 3.02Å
257	L	98.2	Very high	89.4	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	103.5	171.2	-173.8	67.5	0	0	0	109.2	I199 D200 I201 N202 V227 I276 K277 L278 L310	I199-L257 HydrophobicContact CG2-CB 4.47Å; D200-L257 PolarHBondContact O-N 3.01Å; I201-L257 WeakPolarHBondContact CA-O 3.31Å; I201-L257 HydrophobicContact CD1-CD2 4.17Å; I201-L257 HydrophobicContact CG1-CB 4.26Å; I201-L257 HydrophobicContact CG1-CD2 4.27Å; I201-L257 HydrophobicContact CG2-CD2 4.38Å; N202-L257 PolarHBondContact N-O 3.21Å; V227-L257 HydrophobicContact CG1-CD2 3.89Å; L257-I276 HydrophobicContact CD1-CG2 3.58Å; L257-I276 HydrophobicContact CG-CG2 4.2Å; L257-K277 CarbonylContact C-O 3.33Å; L257-K277 WeakPolarHBondContact CA-O 3.29Å; L257-L278 HydrophobicContact CB-CD1 4.16Å; L257-L278 HydrophobicContact CD1-CB 4.07Å; L257-L278 HydrophobicContact CD1-CD1 4.31Å; L257-L310 HydrophobicContact CD1-CD2 4.1Å; L257-L310 HydrophobicContact CD2-CD1 4.42Å
258	S	97.2	Very high	89.1	Confident	37 Å²	37	65 Å²	65	26%	0.259	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.8	178.5	-64.1	0	0	0	0	111.4	N202 I276 K277	N202-S258 WeakPolarHBondContact O-CA 3.44Å; S258-I276 WeakPolarHBondContact O-CA 3.37Å; S258-K277 PolarHBondContact N-O 3.13Å; S258-K277 PolarHBondContact O-N 3.48Å
259	I	96.9	Very high	88.8	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.8	168.3	-54.7	177.9	0	0	0	107.9	I201 N202 M203 V204 A220 I243 M274 I276	I201-I259 HydrophobicContact CG2-CD1 4.24Å; N202-I259 PolarHBondContact O-N 3.4Å; M203-I259 CarbonylContact C-O 3.4Å; M203-I259 WeakPolarHBondContact CA-O 2.95Å; M203-I259 HydrophobicContact CE-CG2 4.3Å; V204-I259 PolarHBondContact N-O 3.31Å; A220-I259 HydrophobicContact CB-CG2 4.21Å; I243-I259 HydrophobicContact CD1-CD1 4.07Å; I259-M274 HydrophobicContact CG2-CG 3.91Å; I259-M274 HydrophobicContact CG2-SD 3.95Å; I259-I276 HydrophobicContact CG1-CD1 4.38Å; I259-I276 HydrophobicContact CG1-CG1 4.25Å; I259-I276 HydrophobicContact CG2-CG1 4.31Å
260	A	93.9	Very high	88.6	Confident	20 Å²	20	60.6 Å²	60.6	17%	0.165	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.5	-177.6	0	0	0	0	0	112.9	V204 S275	V204-A260 HydrophobicContact CB-CB 4.12Å; V204-A260 WeakPolarHBondContact O-CA 3.34Å; A260-S275 PolarHBondContact N-O 2.83Å; A260-S275 PolarHBondContact O-N 2.6Å
261	F	92.2	Very high	88.6	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.8	170.2	-63.9	-70.1	0	0	0	110.6	M203 N205 C208 Q216 L217 A220 C272 M274 I294	M203-F261 HydrophobicContact SD-CE2 4.28Å; N205-F261 PolarHBondContact ND2-O 3.5Å; C208-F261 HydrophobicContact CB-CB 3.64Å; Q216-F261 HydrophobicContact CB-CE1 3.76Å; Q216-F261 HydrophobicContact CB-CZ 4Å; Q216-F261 WeakPolarHBondContact O-CZ 3.02Å; L217-F261 HydrophobicContact CD1-CE2 4.26Å; A220-F261 HydrophobicContact CB-CE1 4.46Å; A220-F261 HydrophobicContact CB-CE2 4.32Å; A220-F261 HydrophobicContact CB-CZ 3.63Å; F261-C272 HydrophobicContact CB-CB 4.18Å; F261-M274 HydrophobicContact CD1-CB 4.42Å; F261-M274 HydrophobicContact CE1-CB 4.26Å; F261-M274 HydrophobicContact CE1-CG 4.45Å; F261-I294 HydrophobicContact CE1-CD1 4.39Å
262	V	90	Very high	88.8	Confident	54 Å²	54	60.5 Å²	60.5	33%	0.327	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.8	-175.5	-176.3	0	0	0	0	109.9	C272 F273	V262-C272 WeakPolarHBondContact O-CA 3.27Å; V262-C272 WeakPolarHBondContact O-CB 3.45Å; V262-F273 HydrophobicContact CB-CD1 4.25Å; V262-F273 HydrophobicContact CB-CD2 4.45Å; V262-F273 HydrophobicContact CB-CE1 3.7Å; V262-F273 HydrophobicContact CB-CE2 3.93Å; V262-F273 HydrophobicContact CB-CZ 3.53Å; V262-F273 HydrophobicContact CG1-CE1 3.65Å; V262-F273 HydrophobicContact CG1-CE2 4.41Å; V262-F273 HydrophobicContact CG1-CZ 3.56Å; V262-F273 HydrophobicContact CG2-CE2 4.36Å; V262-F273 HydrophobicContact CG2-CZ 4.28Å; V262-F273 PolarHBondContact N-O 3.41Å; V262-F273 WeakPolarHBondContact O-CD1 3.2Å; V262-F273 PolarHBondContact O-N 3.24Å
263	N	86.7	Confident	88.8	Confident	26 Å²	26	61 Å²	61	14%	0.139	29%	0.289	C	S	.	.			trans	-94.3	130.8	170.3	-164.8	-20.3	0	0	0	110.3	N209 R265 Q270	N209-N263 PolarHBondContact ND2-ND2 2.92Å; N209-N263 PolarHBondContact OD1-ND2 2.94Å; N263-R265 HydrophobicContact CB-CG 4.33Å; N263-R265 PolarHBondContact O-N 2.86Å; N263-R265 PolarHBondContact OD1-N 3.37Å; N263-Q270 PolarHBondContact ND2-O 2.9Å; N263-Q270 PolarHBondContact OD1-OE1 3.43Å
264	Q	85.2	Confident	88.9	Confident	104 Å²	104	61 Å²	61	49%	0.486	29%	0.289	S	S	.	.			trans	-72.3	-15.9	173.1	-62.4	-179.7	-21.7	0	0	113.4	Q266 F273	Q264-Q266 VanDerWaalsContact C-N 3.26Å; Q264-Q266 HydrophobicContact CB-CG 4.04Å; Q264-Q266 PolarHBondContact O-N 3.19Å; Q264-F273 HydrophobicContact CG-CD1 3.91Å; Q264-F273 HydrophobicContact CG-CE1 3.7Å
265	R	83.9	Confident	88.9	Confident	218 Å²	218	61.4 Å²	61.4	82%	0.823	29%	0.292	S	S	*	.			trans	59.1	29.7	177.7	-55.6	177.8	-179.3	174.5	-0.4	114	N263	N263-R265 HydrophobicContact CB-CG 4.33Å; N263-R265 PolarHBondContact O-N 2.86Å; N263-R265 PolarHBondContact OD1-N 3.37Å
266	Q	81.5	Confident	88.9	Confident	137 Å²	137	60.7 Å²	60.7	64%	0.64	29%	0.289	S	S	*	.	S	Bend	trans	-73.3	-31.3	177.5	-63.1	172.8	-17.5	0	0	112.1	Q264	Q264-Q266 VanDerWaalsContact C-N 3.26Å; Q264-Q266 HydrophobicContact CB-CG 4.04Å; Q264-Q266 PolarHBondContact O-N 3.19Å
267	Y	82.9	Confident	89	Confident	148 Å²	148	63.4 Å²	63.4	58%	0.58	30%	0.299	S	S	*	.	S	Bend	trans	-151	162.7	174.1	56.1	-86.3	0	0	0	111.6	Q270	Y267-Q270 HydrophobicContact CD1-CB 4.24Å; Y267-Q270 HydrophobicContact CD1-CG 4.41Å; Y267-Q270 HydrophobicContact CD2-CB 3.94Å; Y267-Q270 HydrophobicContact CE1-CB 4.02Å; Y267-Q270 HydrophobicContact CE1-CG 3.83Å; Y267-Q270 HydrophobicContact CE2-CB 3.7Å; Y267-Q270 HydrophobicContact CE2-CG 4.21Å; Y267-Q270 HydrophobicContact CG-CB 4.19Å; Y267-Q270 WeakPolarHBondContact O-CB 3.47Å; Y267-Q270 PolarHBondContact O-N 2.83Å
268	R	78.4	Confident	89	Confident	246 Å²	246	63.3 Å²	63.3	93%	0.928	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	140.7	177.6	-76.7	-170.6	175.8	-171.9	-0.5	110.7	Q270	R268-Q270 PolarHBondContact O-N 2.87Å
269	A	75.3	Confident	89	Confident	91 Å²	91	63.1 Å²	63.1	75%	0.752	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	21.4	-177.3	0	0	0	0	0	115.2	Q271	A269-Q271 PolarHBondContact O-N 3.14Å
270	Q	79.4	Confident	88.9	Confident	13 Å²	13	64.2 Å²	64.2	6%	0.061	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-55.2	130.5	168.4	179.2	172.5	20.8	0	0	110.7	N209 N263 Y267 R268 C272	N209-Q270 PolarHBondContact ND2-O 3.28Å; N263-Q270 PolarHBondContact ND2-O 2.9Å; N263-Q270 PolarHBondContact OD1-OE1 3.43Å; Y267-Q270 HydrophobicContact CD1-CB 4.24Å; Y267-Q270 HydrophobicContact CD1-CG 4.41Å; Y267-Q270 HydrophobicContact CD2-CB 3.94Å; Y267-Q270 HydrophobicContact CE1-CB 4.02Å; Y267-Q270 HydrophobicContact CE1-CG 3.83Å; Y267-Q270 HydrophobicContact CE2-CB 3.7Å; Y267-Q270 HydrophobicContact CE2-CG 4.21Å; Y267-Q270 HydrophobicContact CG-CB 4.19Å; Y267-Q270 WeakPolarHBondContact O-CB 3.47Å; Y267-Q270 PolarHBondContact O-N 2.83Å; R268-Q270 PolarHBondContact O-N 2.87Å; Q270-C272 PolarHBondContact O-N 3.46Å
271	Q	80.6	Confident	89	Confident	110 Å²	110	65.9 Å²	65.9	51%	0.514	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-60.4	132.6	174.3	-178.4	-179.1	-28.8	0	0	110.1	Q216 A269 I294	Q216-Q271 VanDerWaalsContact NE2-CG 3.26Å; A269-Q271 PolarHBondContact O-N 3.14Å; Q271-I294 PolarHBondContact NE2-O 2.93Å
272	C	88.2	Confident	89	Confident	7 Å²	7	69.3 Å²	69.3	5%	0.047	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-74.2	147.6	177.1	-56.2	0	0	0	0	111.2	C208 Q216 F261 V262 Q270	C208-C272 HydrophobicContact CB-CB 3.81Å; C208-C272 WeakPolarHBondContact CB-SG 3.29Å; C208-C272 WeakPolarHBondContact SG-CB 3.39Å; C208-C272 CovalentContact SG-SG 2.03Å; C208-C272 PolarHBondContact SG-SG 3.3Å; Q216-C272 PolarHBondContact NE2-O 2.93Å; F261-C272 HydrophobicContact CB-CB 4.18Å; V262-C272 WeakPolarHBondContact O-CA 3.27Å; V262-C272 WeakPolarHBondContact O-CB 3.45Å; Q270-C272 PolarHBondContact O-N 3.46Å
273	F	91.4	Very high	89.1	Confident	25 Å²	25	72.3 Å²	72.3	11%	0.11	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	152.8	167.7	72.1	-92.3	0	0	0	109.4	V262 Q264 R291 Y292 V293	V262-F273 HydrophobicContact CB-CD1 4.25Å; V262-F273 HydrophobicContact CB-CD2 4.45Å; V262-F273 HydrophobicContact CB-CE1 3.7Å; V262-F273 HydrophobicContact CB-CE2 3.93Å; V262-F273 HydrophobicContact CB-CZ 3.53Å; V262-F273 HydrophobicContact CG1-CE1 3.65Å; V262-F273 HydrophobicContact CG1-CE2 4.41Å; V262-F273 HydrophobicContact CG1-CZ 3.56Å; V262-F273 HydrophobicContact CG2-CE2 4.36Å; V262-F273 HydrophobicContact CG2-CZ 4.28Å; V262-F273 PolarHBondContact N-O 3.41Å; V262-F273 WeakPolarHBondContact O-CD1 3.2Å; V262-F273 PolarHBondContact O-N 3.24Å; Q264-F273 HydrophobicContact CG-CD1 3.91Å; Q264-F273 HydrophobicContact CG-CE1 3.7Å; F273-R291 HydrophobicContact CD2-CB 3.92Å; F273-R291 HydrophobicContact CD2-CG 4.4Å; F273-R291 HydrophobicContact CE2-CB 3.85Å; F273-R291 HydrophobicContact CE2-CG 3.83Å; F273-Y292 WeakPolarHBondContact CA-O 3.21Å; F273-Y292 WeakPolarHBondContact CB-O 3.41Å; F273-V293 HydrophobicContact CB-CG2 4.28Å
274	M	94.4	Very high	89.4	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114.2	175.9	-178.3	174.5	64.6	0	0	108.7	Y219 A220 I259 F261 I276 Y292 I294 I302	Y219-M274 HydrophobicContact CD1-CE 4.47Å; Y219-M274 HydrophobicContact CE1-CE 3.7Å; Y219-M274 HydrophobicContact CE1-SD 4.43Å; A220-M274 HydrophobicContact CB-SD 3.93Å; I259-M274 HydrophobicContact CG2-CG 3.91Å; I259-M274 HydrophobicContact CG2-SD 3.95Å; F261-M274 HydrophobicContact CD1-CB 4.42Å; F261-M274 HydrophobicContact CE1-CB 4.26Å; F261-M274 HydrophobicContact CE1-CG 4.45Å; M274-I276 HydrophobicContact CE-CD1 3.8Å; M274-I276 HydrophobicContact CE-CG1 4.46Å; M274-I276 HydrophobicContact CG-CD1 4.31Å; M274-I276 HydrophobicContact CG-CG1 4.01Å; M274-I276 HydrophobicContact SD-CD1 4.07Å; M274-I276 HydrophobicContact SD-CG1 4.41Å; M274-Y292 HydrophobicContact CE-CD2 4Å; M274-Y292 HydrophobicContact CE-CG 4.49Å; M274-Y292 PolarHBondContact N-O 3.2Å; M274-Y292 PolarHBondContact O-N 2.83Å; M274-I294 HydrophobicContact CB-CD1 3.85Å; M274-I294 HydrophobicContact CB-CG1 4.41Å; M274-I294 HydrophobicContact CE-CD1 4.17Å; M274-I294 HydrophobicContact CE-CG1 4.35Å; M274-I294 HydrophobicContact SD-CD1 4.14Å; M274-I302 HydrophobicContact CE-CG2 3.97Å
275	S	95.9	Very high	89.9	Confident	10 Å²	10	71 Å²	71	7%	0.07	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.9	167.7	-162.1	0	0	0	0	108.6	A260 K290	A260-S275 PolarHBondContact N-O 2.83Å; A260-S275 PolarHBondContact O-N 2.6Å; S275-K290 CarbonylContact C-O 3.59Å; S275-K290 VanDerWaalsContact CA-O 3.3Å; S275-K290 WeakPolarHBondContact CA-O 3.38Å; S275-K290 PolarHBondContact OG-O 3.39Å
276	I	98	Very high	90.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.7	171.7	-58.6	-175	0	0	0	107.7	L257 S258 I259 M274 L288 K290 Y292 L306	L257-I276 HydrophobicContact CD1-CG2 3.58Å; L257-I276 HydrophobicContact CG-CG2 4.2Å; S258-I276 WeakPolarHBondContact O-CA 3.37Å; I259-I276 HydrophobicContact CG1-CD1 4.38Å; I259-I276 HydrophobicContact CG1-CG1 4.25Å; I259-I276 HydrophobicContact CG2-CG1 4.31Å; M274-I276 HydrophobicContact CE-CD1 3.8Å; M274-I276 HydrophobicContact CE-CG1 4.46Å; M274-I276 HydrophobicContact CG-CD1 4.31Å; M274-I276 HydrophobicContact CG-CG1 4.01Å; M274-I276 HydrophobicContact SD-CD1 4.07Å; M274-I276 HydrophobicContact SD-CG1 4.41Å; I276-L288 HydrophobicContact CG2-CD2 4.36Å; I276-L288 WeakPolarHBondContact O-CD2 3.24Å; I276-K290 PolarHBondContact N-O 2.94Å; I276-K290 PolarHBondContact O-N 3.47Å; I276-Y292 HydrophobicContact CD1-CD2 4.17Å; I276-Y292 HydrophobicContact CD1-CE2 4.1Å; I276-Y292 HydrophobicContact CG1-CD2 4.36Å; I276-Y292 HydrophobicContact CG1-CE2 4.45Å; I276-L306 HydrophobicContact CB-CD1 4.41Å; I276-L306 HydrophobicContact CD1-CD1 4.16Å; I276-L306 HydrophobicContact CD1-CD2 3.64Å; I276-L306 HydrophobicContact CD1-CG 4.49Å; I276-L306 HydrophobicContact CG2-CD1 3.84Å
277	K	98	Very high	91.3	Very high	75 Å²	75	61 Å²	61	33%	0.326	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.3	-179.2	-58.7	-165.4	-177.3	-147.3	0	111.8	L257 S258 L288 D289	L257-K277 CarbonylContact C-O 3.33Å; L257-K277 WeakPolarHBondContact CA-O 3.29Å; S258-K277 PolarHBondContact N-O 3.13Å; S258-K277 PolarHBondContact O-N 3.48Å; K277-L288 CarbonylContact C-O 3.6Å; K277-L288 WeakPolarHBondContact CA-O 3.23Å; K277-D289 WeakPolarHBondContact CE-OD2 3.21Å; K277-D289 HydrophobicContact CG-CB 4.49Å; K277-D289 IonicContact NZ-OD1 3.8Å; K277-D289 IonicContact NZ-OD2 2.7Å; K277-D289 PolarHBondContact NZ-OD2 2.9Å
278	L	98.3	Very high	92.1	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.1	167.3	-175	66.2	0	0	0	108.3	I199 K255 T256 L257 T286 M287 L288 L310 A313 L314	I199-L278 HydrophobicContact CG2-CD1 4.39Å; K255-L278 HydrophobicContact CB-CD1 4.11Å; T256-L278 WeakPolarHBondContact O-CA 3.34Å; L257-L278 HydrophobicContact CB-CD1 4.16Å; L257-L278 HydrophobicContact CD1-CB 4.07Å; L257-L278 HydrophobicContact CD1-CD1 4.31Å; L278-T286 CarbonylContact O-C 3.56Å; L278-M287 HydrophobicContact CB-CB 4.25Å; L278-M287 HydrophobicContact CD2-CB 3.96Å; L278-M287 HydrophobicContact CD2-SD 3.91Å; L278-M287 HydrophobicContact CG-CB 4.09Å; L278-M287 HydrophobicContact CG-SD 4.11Å; L278-M287 PolarHBondContact O-N 3.44Å; L278-L288 HydrophobicContact CB-CB 3.82Å; L278-L288 PolarHBondContact N-O 2.95Å; L278-L288 PolarHBondContact O-N 2.8Å; L278-L310 HydrophobicContact CD2-CD2 4.31Å; L278-A313 HydrophobicContact CD2-CB 4.24Å; L278-L314 HydrophobicContact CD2-CD2 3.74Å; L278-L314 HydrophobicContact CD2-CG 4.16Å
279	V	97.6	Very high	93	Very high	34 Å²	34	46 Å²	46	21%	0.206	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.2	176.7	179.1	0	0	0	0	108.7	K255 T256 S285	K255-V279 CarbonylContact C-O 3.44Å; K255-V279 VanDerWaalsContact CA-O 3.24Å; K255-V279 WeakPolarHBondContact CA-O 3.39Å; T256-V279 PolarHBondContact N-O 3.05Å; T256-V279 PolarHBondContact O-N 2.88Å; V279-S285 WeakPolarHBondContact CA-O 3.18Å
280	D	96.1	Very high	94.1	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.123	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123	165.8	-162.4	-65.5	0	0	0	109.3	K255 A282 G284 S285 M287	K255-D280 WeakPolarHBondContact CE-OD2 3.37Å; K255-D280 HydrophobicContact CG-CB 4.49Å; K255-D280 IonicContact NZ-OD2 3.81Å; K255-D280 PolarHBondContact NZ-OD2 3.04Å; D280-A282 VanDerWaalsContact C-N 3.28Å; D280-A282 PolarHBondContact O-N 2.91Å; D280-A282 VanDerWaalsContact OD1-CB 3.24Å; D280-A282 WeakPolarHBondContact OD1-CB 3.41Å; D280-A282 PolarHBondContact OD1-N 2.9Å; D280-G284 WeakPolarHBondContact O-CA 3.31Å; D280-G284 PolarHBondContact O-N 3.11Å; D280-S285 PolarHBondContact N-O 3.15Å; D280-M287 HydrophobicContact CB-CG 4.27Å; D280-M287 HydrophobicContact CB-SD 4.01Å
281	N	94.8	Very high	94.9	Very high	55 Å²	55	51.7 Å²	51.7	29%	0.294	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.7	-173.1	-65.8	-25.8	0	0	0	112.5	L194 S253 G254 T256	L194-N281 HydrophobicContact CD1-CB 4.05Å; L194-N281 WeakPolarHBondContact CD1-O 3.23Å; S253-N281 PolarHBondContact O-ND2 3.38Å; G254-N281 PolarHBondContact O-N 3.44Å; T256-N281 PolarHBondContact OG1-ND2 3.02Å
282	A	92	Very high	95.6	Very high	79 Å²	79	47.3 Å²	47.3	65%	0.653	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-34.9	177.7	0	0	0	0	0	113	L194 D280	L194-A282 HydrophobicContact CD1-CB 4.37Å; D280-A282 VanDerWaalsContact C-N 3.28Å; D280-A282 PolarHBondContact O-N 2.91Å; D280-A282 VanDerWaalsContact OD1-CB 3.24Å; D280-A282 WeakPolarHBondContact OD1-CB 3.41Å; D280-A282 PolarHBondContact OD1-N 2.9Å
283	D	92.5	Very high	95.8	Very high	117 Å²	117	51.5 Å²	51.5	63%	0.626	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	-8.9	179.8	74.6	-10.7	0	0	0	114.7	S285	D283-S285 VanDerWaalsContact C-N 3.32Å; D283-S285 WeakPolarHBondContact OD1-CB 3.28Å; D283-S285 PolarHBondContact OD1-N 2.89Å; D283-S285 PolarHBondContact OD1-OG 2.82Å; D283-S285 PolarHBondContact OD2-OG 2.82Å
284	G	92.7	Very high	95.8	Very high	51 Å²	51	50.9 Å²	50.9	53%	0.526	29%	0.285	S	S	.	.			trans	78.5	12.2	-177	0	0	0	0	0	114.1	D280	D280-G284 WeakPolarHBondContact O-CA 3.31Å; D280-G284 PolarHBondContact O-N 3.11Å
285	S	95.7	Very high	95.5	Very high	50 Å²	50	54.4 Å²	54.4	35%	0.35	31%	0.307	S	S	.	.			trans	-72.2	139.1	-179	64.9	0	0	0	0	112.1	V279 D280 D283 M287	V279-S285 WeakPolarHBondContact CA-O 3.18Å; D280-S285 PolarHBondContact N-O 3.15Å; D283-S285 VanDerWaalsContact C-N 3.32Å; D283-S285 WeakPolarHBondContact OD1-CB 3.28Å; D283-S285 PolarHBondContact OD1-N 2.89Å; D283-S285 PolarHBondContact OD1-OG 2.82Å; D283-S285 PolarHBondContact OD2-OG 2.82Å; S285-M287 PolarHBondContact O-N 2.87Å
286	T	98	Very high	94.9	Very high	81 Å²	81	59.5 Å²	59.5	50%	0.497	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	108.5	174.6	-56.2	0	0	0	0	109.6	L278 L288 D289	L278-T286 CarbonylContact O-C 3.56Å; T286-L288 WeakPolarHBondContact CG2-O 3.09Å; T286-D289 HydrophobicContact CG2-CB 3.99Å
287	M	97.7	Very high	94.5	Very high	66 Å²	66	61.7 Å²	61.7	33%	0.325	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-29.5	179.2	-56.7	-178.4	77	0	0	112.7	K255 L278 D280 S285 A313	K255-M287 HydrophobicContact CD-SD 3.91Å; K255-M287 VanDerWaalsContact CE-SD 3.5Å; K255-M287 HydrophobicContact CG-SD 4.2Å; L278-M287 HydrophobicContact CB-CB 4.25Å; L278-M287 HydrophobicContact CD2-CB 3.96Å; L278-M287 HydrophobicContact CD2-SD 3.91Å; L278-M287 HydrophobicContact CG-CB 4.09Å; L278-M287 HydrophobicContact CG-SD 4.11Å; L278-M287 PolarHBondContact O-N 3.44Å; D280-M287 HydrophobicContact CB-CG 4.27Å; D280-M287 HydrophobicContact CB-SD 4.01Å; S285-M287 PolarHBondContact O-N 2.87Å; M287-A313 VanDerWaalsContact CE-O 3.22Å; M287-A313 WeakPolarHBondContact CE-O 3.26Å
288	L	98.2	Very high	94.3	Very high	13 Å²	13	60.1 Å²	60.1	7%	0.068	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	134.3	179.3	178.7	155.9	0	0	0	108.9	I276 K277 L278 T286 K290 L310 A313	I276-L288 HydrophobicContact CG2-CD2 4.36Å; I276-L288 WeakPolarHBondContact O-CD2 3.24Å; K277-L288 CarbonylContact C-O 3.6Å; K277-L288 WeakPolarHBondContact CA-O 3.23Å; L278-L288 HydrophobicContact CB-CB 3.82Å; L278-L288 PolarHBondContact N-O 2.95Å; L278-L288 PolarHBondContact O-N 2.8Å; T286-L288 WeakPolarHBondContact CG2-O 3.09Å; L288-K290 HydrophobicContact CD2-CB 4.11Å; L288-K290 HydrophobicContact CD2-CG 3.63Å; L288-K290 HydrophobicContact CG-CG 4.05Å; L288-L310 HydrophobicContact CD1-CD2 4.13Å; L288-L310 HydrophobicContact CD1-CG 4.26Å; L288-A313 HydrophobicContact CB-CB 4.49Å
289	D	98	Very high	94.2	Very high	64 Å²	64	60.4 Å²	60.4	34%	0.342	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	110.3	169.4	-170.5	-31.3	0	0	0	108.2	K277 T286 R291	K277-D289 WeakPolarHBondContact CE-OD2 3.21Å; K277-D289 HydrophobicContact CG-CB 4.49Å; K277-D289 IonicContact NZ-OD1 3.8Å; K277-D289 IonicContact NZ-OD2 2.7Å; K277-D289 PolarHBondContact NZ-OD2 2.9Å; T286-D289 HydrophobicContact CG2-CB 3.99Å; D289-R291 IonicContact OD1-NE 3.53Å
290	K	98.1	Very high	94.1	Very high	47 Å²	47	60.9 Å²	60.9	20%	0.204	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.6	-179	-70.8	-76.5	-168.7	159.4	0	110.5	S275 I276 L288 Y292 D305 S309	S275-K290 CarbonylContact C-O 3.59Å; S275-K290 VanDerWaalsContact CA-O 3.3Å; S275-K290 WeakPolarHBondContact CA-O 3.38Å; S275-K290 PolarHBondContact OG-O 3.39Å; I276-K290 PolarHBondContact N-O 2.94Å; I276-K290 PolarHBondContact O-N 3.47Å; L288-K290 HydrophobicContact CD2-CB 4.11Å; L288-K290 HydrophobicContact CD2-CG 3.63Å; L288-K290 HydrophobicContact CG-CG 4.05Å; K290-Y292 HydrophobicContact CB-CD2 4.18Å; K290-Y292 HydrophobicContact CB-CE1 4.48Å; K290-Y292 HydrophobicContact CB-CE2 3.51Å; K290-Y292 HydrophobicContact CD-CE1 4.37Å; K290-Y292 WeakPolarHBondContact CD-OH 3.42Å; K290-Y292 HydrophobicContact CG-CE2 4.13Å; K290-Y292 WeakPolarHBondContact CG-OH 3.22Å; K290-D305 WeakPolarHBondContact CE-OD2 3.39Å; K290-D305 IonicContact NZ-OD1 3.93Å; K290-D305 PolarHBondContact NZ-OD1 3.25Å; K290-D305 IonicContact NZ-OD2 3.58Å; K290-D305 PolarHBondContact NZ-OD2 2.88Å; K290-S309 WeakPolarHBondContact CE-OG 3.47Å; K290-S309 PolarHBondContact NZ-OG 3.33Å
291	R	96.4	Very high	94.1	Very high	178 Å²	178	63 Å²	63	67%	0.672	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	108.5	179.8	-55.7	-177.6	-169.1	175.9	3.5	108.9	F273 D289	F273-R291 HydrophobicContact CD2-CB 3.92Å; F273-R291 HydrophobicContact CD2-CG 4.4Å; F273-R291 HydrophobicContact CE2-CB 3.85Å; F273-R291 HydrophobicContact CE2-CG 3.83Å; D289-R291 IonicContact OD1-NE 3.53Å
292	Y	96.1	Very high	94.2	Very high	18 Å²	18	61 Å²	61	7%	0.071	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.3	-172.4	-63.2	-62.6	0	0	0	111.9	F273 M274 I276 K290 I302 D305 L306	F273-Y292 WeakPolarHBondContact CA-O 3.21Å; F273-Y292 WeakPolarHBondContact CB-O 3.41Å; M274-Y292 HydrophobicContact CE-CD2 4Å; M274-Y292 HydrophobicContact CE-CG 4.49Å; M274-Y292 PolarHBondContact N-O 3.2Å; M274-Y292 PolarHBondContact O-N 2.83Å; I276-Y292 HydrophobicContact CD1-CD2 4.17Å; I276-Y292 HydrophobicContact CD1-CE2 4.1Å; I276-Y292 HydrophobicContact CG1-CD2 4.36Å; I276-Y292 HydrophobicContact CG1-CE2 4.45Å; K290-Y292 HydrophobicContact CB-CD2 4.18Å; K290-Y292 HydrophobicContact CB-CE1 4.48Å; K290-Y292 HydrophobicContact CB-CE2 3.51Å; K290-Y292 HydrophobicContact CD-CE1 4.37Å; K290-Y292 WeakPolarHBondContact CD-OH 3.42Å; K290-Y292 HydrophobicContact CG-CE2 4.13Å; K290-Y292 WeakPolarHBondContact CG-OH 3.22Å; Y292-I302 HydrophobicContact CD1-CB 4.25Å; Y292-I302 HydrophobicContact CD1-CG1 3.97Å; Y292-I302 HydrophobicContact CD1-CG2 3.65Å; Y292-I302 HydrophobicContact CD2-CG2 3.71Å; Y292-I302 HydrophobicContact CE1-CG2 4.01Å; Y292-I302 HydrophobicContact CE2-CG2 4.07Å; Y292-I302 HydrophobicContact CG-CB 4.47Å; Y292-I302 HydrophobicContact CG-CG1 4.32Å; Y292-I302 HydrophobicContact CG-CG2 3.47Å; Y292-I302 VanDerWaalsContact CG-CG2 3.47Å; Y292-D305 WeakPolarHBondContact CE1-OD2 3.5Å; Y292-D305 VanDerWaalsContact CZ-OD2 3.25Å; Y292-D305 PolarHBondContact OH-OD2 3.09Å; Y292-L306 HydrophobicContact CE2-CB 4.35Å; Y292-L306 WeakPolarHBondContact OH-CA 3.46Å; Y292-L306 PolarHBondContact OH-N 3.38Å
293	V	92.8	Very high	94.4	Very high	95 Å²	95	57.6 Å²	57.6	58%	0.576	33%	0.334	S	S	*	.			trans	-92.9	103.8	168.6	-178.6	0	0	0	0	107.8	F273 N298	F273-V293 HydrophobicContact CB-CG2 4.28Å; V293-N298 PolarHBondContact O-ND2 3.29Å
294	I	91.1	Very high	94.6	Very high	11 Å²	11	55.9 Å²	55.9	6%	0.056	33%	0.325	C	S	.	.			trans	-75.1	126.4	-179.7	-54.6	158	0	0	0	109	Q216 Y219 F261 Q271 M274 Q299 I302	Q216-I294 HydrophobicContact CB-CD1 4.34Å; Q216-I294 HydrophobicContact CG-CD1 4.21Å; Y219-I294 HydrophobicContact CD1-CD1 3.71Å; Y219-I294 HydrophobicContact CD1-CG1 4.09Å; Y219-I294 HydrophobicContact CD1-CG2 4.09Å; Y219-I294 HydrophobicContact CE1-CD1 3.9Å; Y219-I294 HydrophobicContact CE1-CG1 3.88Å; Y219-I294 HydrophobicContact CE1-CG2 4.24Å; F261-I294 HydrophobicContact CE1-CD1 4.39Å; Q271-I294 PolarHBondContact NE2-O 2.93Å; M274-I294 HydrophobicContact CB-CD1 3.85Å; M274-I294 HydrophobicContact CB-CG1 4.41Å; M274-I294 HydrophobicContact CE-CD1 4.17Å; M274-I294 HydrophobicContact CE-CG1 4.35Å; M274-I294 HydrophobicContact SD-CD1 4.14Å; I294-Q299 HydrophobicContact CG2-CG 4.33Å; I294-I302 HydrophobicContact CB-CD1 4.43Å; I294-I302 HydrophobicContact CG1-CD1 4.1Å
295	T	87.6	Confident	94.9	Very high	74 Å²	74	56.1 Å²	56.1	45%	0.454	31%	0.314	S	S	.	.			trans	-125.3	153.7	171.2	67.5	0	0	0	0	109.2	G297 N298 Q299	T295-G297 PolarHBondContact O-N 3.2Å; T295-N298 PolarHBondContact N-OD1 2.83Å; T295-N298 PolarHBondContact O-N 2.66Å; T295-N298 VanDerWaalsContact O-N 3.15Å; T295-N298 PolarHBondContact O-OD1 2.9Å; T295-N298 PolarHBondContact OG1-ND2 3.08Å; T295-N298 PolarHBondContact OG1-OD1 3.32Å; T295-Q299 PolarHBondContact O-OE1 2.8Å
296	N	83.8	Confident	95	Very high	117 Å²	117	53.8 Å²	53.8	63%	0.626	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	101.7	179.8	-161.8	12.8	0	0	0	109.4	Q299 T338	N296-Q299 PolarHBondContact OD1-NE2 2.94Å; N296-T338 PolarHBondContact OD1-OG1 2.58Å
297	G	88.8	Confident	95	Very high	46 Å²	46	50.2 Å²	50.2	47%	0.474	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	128	-17.6	-174.1	0	0	0	0	0	114.8	T295 Q299	T295-G297 PolarHBondContact O-N 3.2Å; G297-Q299 VanDerWaalsContact C-OE1 3.31Å; G297-Q299 VanDerWaalsContact CA-OE1 3.32Å
298	N	94.1	Very high	95	Very high	43 Å²	43	52.5 Å²	52.5	23%	0.23	29%	0.285	C	S	.	.			trans	-102.9	3.4	-178.8	83	-10	0	0	0	115	V293 T295 L300 A301 I302	V293-N298 PolarHBondContact O-ND2 3.29Å; T295-N298 PolarHBondContact N-OD1 2.83Å; T295-N298 PolarHBondContact O-N 2.66Å; T295-N298 VanDerWaalsContact O-N 3.15Å; T295-N298 PolarHBondContact O-OD1 2.9Å; T295-N298 PolarHBondContact OG1-ND2 3.08Å; T295-N298 PolarHBondContact OG1-OD1 3.32Å; N298-L300 VanDerWaalsContact C-N 3.35Å; N298-L300 PolarHBondContact O-N 2.91Å; N298-A301 PolarHBondContact O-N 3.04Å; N298-I302 PolarHBondContact O-N 2.6Å; N298-I302 VanDerWaalsContact OD1-CD1 3.24Å; N298-I302 WeakPolarHBondContact OD1-CD1 3.5Å
299	Q	95.6	Very high	95	Very high	6 Å²	6	53 Å²	53	3%	0.028	29%	0.29	C	S	.	.	H	α-helix	trans	-57.2	-42.8	-173.6	-60.4	94	-38	0	0	112.7	Y219 I294 T295 N296 G297 Q303 L337 T338 Y341	Y219-Q299 HydrophobicContact CD2-CB 3.89Å; Y219-Q299 HydrophobicContact CD2-CG 4Å; Y219-Q299 HydrophobicContact CE2-CB 3.5Å; Y219-Q299 HydrophobicContact CE2-CG 4.05Å; Y219-Q299 HydrophobicContact CG-CG 4.28Å; Y219-Q299 PolarHBondContact OH-O 2.86Å; I294-Q299 HydrophobicContact CG2-CG 4.33Å; T295-Q299 PolarHBondContact O-OE1 2.8Å; N296-Q299 PolarHBondContact OD1-NE2 2.94Å; G297-Q299 VanDerWaalsContact C-OE1 3.31Å; G297-Q299 VanDerWaalsContact CA-OE1 3.32Å; Q299-Q303 WeakPolarHBondContact O-CB 3.37Å; Q299-Q303 PolarHBondContact O-N 3.15Å; Q299-L337 HydrophobicContact CB-CD1 4.07Å; Q299-T338 PolarHBondContact NE2-OG1 2.84Å; Q299-T338 VanDerWaalsContact NE2-OG1 3.15Å; Q299-Y341 HydrophobicContact CB-CE2 4.38Å
300	L	96.2	Very high	95.1	Very high	44 Å²	44	50 Å²	50	23%	0.23	27%	0.274	C	S	.	.	H	α-helix	trans	-69.1	-34.8	176.8	-67.2	179.5	0	0	0	112.9	N298 Q303 N304 L330 L337	N298-L300 VanDerWaalsContact C-N 3.35Å; N298-L300 PolarHBondContact O-N 2.91Å; L300-Q303 PolarHBondContact O-N 2.86Å; L300-N304 WeakPolarHBondContact O-CB 3.36Å; L300-N304 PolarHBondContact O-N 3.29Å; L300-L330 HydrophobicContact CD2-CB 4.04Å; L300-L330 HydrophobicContact CD2-CD1 3.78Å; L300-L330 HydrophobicContact CD2-CG 4.43Å; L300-L337 HydrophobicContact CD1-CD1 4.13Å; L300-L337 HydrophobicContact CD1-CD2 4.11Å; L300-L337 HydrophobicContact CD2-CD2 3.82Å; L300-L337 HydrophobicContact CG-CD1 3.74Å; L300-L337 HydrophobicContact CG-CD2 3.77Å; L300-L337 HydrophobicContact CG-CG 4.42Å
301	A	96.3	Very high	95.1	Very high	68 Å²	68	49 Å²	49	56%	0.562	27%	0.273	S	S	*	.	H	α-helix	trans	-68.7	-40.2	178.5	0	0	0	0	0	111.6	N298 N304 D305	N298-A301 PolarHBondContact O-N 3.04Å; A301-N304 PolarHBondContact O-N 2.88Å; A301-D305 PolarHBondContact O-N 3.19Å; A301-D305 VanDerWaalsContact O-N 3.1Å
302	I	96.7	Very high	95.1	Very high	12 Å²	12	49.4 Å²	49.4	6%	0.062	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-47	172.4	-71.6	166.9	0	0	0	110.7	Y219 M274 Y292 I294 N298 N304 D305 L306	Y219-I302 WeakPolarHBondContact OH-CB 3.36Å; Y219-I302 WeakPolarHBondContact OH-CG2 3.5Å; M274-I302 HydrophobicContact CE-CG2 3.97Å; Y292-I302 HydrophobicContact CD1-CB 4.25Å; Y292-I302 HydrophobicContact CD1-CG1 3.97Å; Y292-I302 HydrophobicContact CD1-CG2 3.65Å; Y292-I302 HydrophobicContact CD2-CG2 3.71Å; Y292-I302 HydrophobicContact CE1-CG2 4.01Å; Y292-I302 HydrophobicContact CE2-CG2 4.07Å; Y292-I302 HydrophobicContact CG-CB 4.47Å; Y292-I302 HydrophobicContact CG-CG1 4.32Å; Y292-I302 HydrophobicContact CG-CG2 3.47Å; Y292-I302 VanDerWaalsContact CG-CG2 3.47Å; I294-I302 HydrophobicContact CB-CD1 4.43Å; I294-I302 HydrophobicContact CG1-CD1 4.1Å; N298-I302 PolarHBondContact O-N 2.6Å; N298-I302 VanDerWaalsContact OD1-CD1 3.24Å; N298-I302 WeakPolarHBondContact OD1-CD1 3.5Å; I302-N304 VanDerWaalsContact C-N 3.33Å; I302-N304 PolarHBondContact O-N 2.82Å; I302-D305 PolarHBondContact O-N 3.2Å; I302-L306 WeakPolarHBondContact O-CB 3.46Å; I302-L306 PolarHBondContact O-N 3.25Å
303	Q	96.8	Very high	95.2	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-41.3	179.3	-176.7	-158.6	-54	0	0	111.7	L226 Q299 L300 L306 L307 Y341	L226-Q303 VanDerWaalsContact CD2-CD 3.41Å; L226-Q303 HydrophobicContact CD2-CG 4Å; Q299-Q303 WeakPolarHBondContact O-CB 3.37Å; Q299-Q303 PolarHBondContact O-N 3.15Å; L300-Q303 PolarHBondContact O-N 2.86Å; Q303-L306 PolarHBondContact O-N 2.91Å; Q303-L307 HydrophobicContact CG-CD1 4.17Å; Q303-L307 WeakPolarHBondContact O-CB 3.4Å; Q303-L307 WeakPolarHBondContact O-CG 3.25Å; Q303-L307 PolarHBondContact O-N 3.02Å; Q303-Y341 PolarHBondContact OE1-OH 3.05Å
304	N	96.8	Very high	95.5	Very high	81 Å²	81	46 Å²	46	43%	0.433	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-47.6	177.8	-171.5	81.5	0	0	0	112	L300 A301 I302 L306 L307 E308	L300-N304 WeakPolarHBondContact O-CB 3.36Å; L300-N304 PolarHBondContact O-N 3.29Å; A301-N304 PolarHBondContact O-N 2.88Å; I302-N304 VanDerWaalsContact C-N 3.33Å; I302-N304 PolarHBondContact O-N 2.82Å; N304-L306 VanDerWaalsContact C-N 3.27Å; N304-L306 PolarHBondContact O-N 3.2Å; N304-L307 PolarHBondContact O-N 2.62Å; N304-E308 VanDerWaalsContact ND2-CD 3.34Å; N304-E308 PolarHBondContact ND2-OE1 3.39Å; N304-E308 WeakPolarHBondContact O-CB 3.32Å; N304-E308 WeakPolarHBondContact O-CG 3.38Å; N304-E308 PolarHBondContact O-N 3.5Å
305	D	98.2	Very high	95.8	Very high	55 Å²	55	52.4 Å²	52.4	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-36	174.7	170.5	76.1	0	0	0	112.1	K290 Y292 A301 I302 S309	K290-D305 WeakPolarHBondContact CE-OD2 3.39Å; K290-D305 IonicContact NZ-OD1 3.93Å; K290-D305 PolarHBondContact NZ-OD1 3.25Å; K290-D305 IonicContact NZ-OD2 3.58Å; K290-D305 PolarHBondContact NZ-OD2 2.88Å; Y292-D305 WeakPolarHBondContact CE1-OD2 3.5Å; Y292-D305 VanDerWaalsContact CZ-OD2 3.25Å; Y292-D305 PolarHBondContact OH-OD2 3.09Å; A301-D305 PolarHBondContact O-N 3.19Å; A301-D305 VanDerWaalsContact O-N 3.1Å; I302-D305 PolarHBondContact O-N 3.2Å; D305-S309 WeakPolarHBondContact O-CB 3.46Å; D305-S309 PolarHBondContact O-N 3.49Å; D305-S309 PolarHBondContact O-OG 2.93Å
306	L	98.1	Very high	96.3	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-49.4	173.4	176.7	64.6	0	0	0	111.6	V223 V227 I276 Y292 I302 Q303 N304 S309 L310	V223-L306 HydrophobicContact CG1-CD2 3.51Å; V227-L306 HydrophobicContact CG2-CD2 4.26Å; I276-L306 HydrophobicContact CB-CD1 4.41Å; I276-L306 HydrophobicContact CD1-CD1 4.16Å; I276-L306 HydrophobicContact CD1-CD2 3.64Å; I276-L306 HydrophobicContact CD1-CG 4.49Å; I276-L306 HydrophobicContact CG2-CD1 3.84Å; Y292-L306 HydrophobicContact CE2-CB 4.35Å; Y292-L306 WeakPolarHBondContact OH-CA 3.46Å; Y292-L306 PolarHBondContact OH-N 3.38Å; I302-L306 WeakPolarHBondContact O-CB 3.46Å; I302-L306 PolarHBondContact O-N 3.25Å; Q303-L306 PolarHBondContact O-N 2.91Å; N304-L306 VanDerWaalsContact C-N 3.27Å; N304-L306 PolarHBondContact O-N 3.2Å; L306-S309 PolarHBondContact O-N 3.23Å; L306-L310 HydrophobicContact CD1-CD1 4.02Å; L306-L310 HydrophobicContact CD1-CG 4.11Å; L306-L310 HydrophobicContact CG-CD1 3.92Å; L306-L310 HydrophobicContact CG-CG 4.41Å; L306-L310 WeakPolarHBondContact O-CB 3.36Å; L306-L310 WeakPolarHBondContact O-CG 3.5Å; L306-L310 PolarHBondContact O-N 3.04Å
307	L	98	Very high	96.9	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-42.9	-179.9	-73.6	171.5	0	0	0	111.9	V227 Q303 N304 S309 L310 S311 W318 M322 L326	V227-L307 HydrophobicContact CG2-CD2 4.09Å; Q303-L307 HydrophobicContact CG-CD1 4.17Å; Q303-L307 WeakPolarHBondContact O-CB 3.4Å; Q303-L307 WeakPolarHBondContact O-CG 3.25Å; Q303-L307 PolarHBondContact O-N 3.02Å; N304-L307 PolarHBondContact O-N 2.62Å; L307-S309 VanDerWaalsContact C-N 3.32Å; L307-S309 PolarHBondContact O-N 3.34Å; L307-L310 PolarHBondContact O-N 3.38Å; L307-S311 WeakPolarHBondContact O-CB 3.42Å; L307-S311 PolarHBondContact O-N 3.01Å; L307-W318 HydrophobicContact CD2-CZ2 3.99Å; L307-W318 PolarHBondContact O-NE1 3.2Å; L307-M322 HydrophobicContact CD2-CE 4.19Å; L307-L326 HydrophobicContact CD1-CD1 3.81Å
308	E	98.1	Very high	97.3	Very high	114 Å²	114	48.6 Å²	48.6	53%	0.533	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-41.7	173.2	-73.4	177.6	-173.2	0	0	111.6	N304 S311 K312	N304-E308 VanDerWaalsContact ND2-CD 3.34Å; N304-E308 PolarHBondContact ND2-OE1 3.39Å; N304-E308 WeakPolarHBondContact O-CB 3.32Å; N304-E308 WeakPolarHBondContact O-CG 3.38Å; N304-E308 PolarHBondContact O-N 3.5Å; E308-S311 PolarHBondContact O-N 2.81Å; E308-K312 PolarHBondContact O-N 2.8Å; E308-K312 VanDerWaalsContact O-N 3.08Å
309	S	98.3	Very high	97.5	Very high	23 Å²	23	49.1 Å²	49.1	16%	0.161	27%	0.271	C	S	.	.	H	α-helix	trans	-70.1	-36.8	179.5	-59.5	0	0	0	0	112.7	K290 D305 L306 L307 A313	K290-S309 WeakPolarHBondContact CE-OG 3.47Å; K290-S309 PolarHBondContact NZ-OG 3.33Å; D305-S309 WeakPolarHBondContact O-CB 3.46Å; D305-S309 PolarHBondContact O-N 3.49Å; D305-S309 PolarHBondContact O-OG 2.93Å; L306-S309 PolarHBondContact O-N 3.23Å; L307-S309 VanDerWaalsContact C-N 3.32Å; L307-S309 PolarHBondContact O-N 3.34Å; S309-A313 VanDerWaalsContact O-CB 3.28Å; S309-A313 WeakPolarHBondContact O-CB 3.44Å; S309-A313 PolarHBondContact O-N 3.03Å
310	L	98.4	Very high	97.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-67.2	-44.4	173.4	-76.8	170.8	0	0	0	111.5	V227 L257 L278 L288 L306 L307 K312 A313 L314 W318	V227-L310 HydrophobicContact CG1-CD1 3.73Å; V227-L310 HydrophobicContact CG2-CD1 3.89Å; L257-L310 HydrophobicContact CD1-CD2 4.1Å; L257-L310 HydrophobicContact CD2-CD1 4.42Å; L278-L310 HydrophobicContact CD2-CD2 4.31Å; L288-L310 HydrophobicContact CD1-CD2 4.13Å; L288-L310 HydrophobicContact CD1-CG 4.26Å; L306-L310 HydrophobicContact CD1-CD1 4.02Å; L306-L310 HydrophobicContact CD1-CG 4.11Å; L306-L310 HydrophobicContact CG-CD1 3.92Å; L306-L310 HydrophobicContact CG-CG 4.41Å; L306-L310 WeakPolarHBondContact O-CB 3.36Å; L306-L310 WeakPolarHBondContact O-CG 3.5Å; L306-L310 PolarHBondContact O-N 3.04Å; L307-L310 PolarHBondContact O-N 3.38Å; L310-K312 VanDerWaalsContact C-N 3.28Å; L310-K312 PolarHBondContact O-N 3.02Å; L310-A313 PolarHBondContact O-N 2.71Å; L310-L314 VanDerWaalsContact O-CB 3.32Å; L310-L314 WeakPolarHBondContact O-CB 3.32Å; L310-L314 WeakPolarHBondContact O-CG 3.33Å; L310-L314 PolarHBondContact O-N 3.18Å; L310-W318 HydrophobicContact CB-CZ2 4.3Å
311	S	98.3	Very high	97.4	Very high	28 Å²	28	57.8 Å²	57.8	20%	0.196	31%	0.306	C	S	.	.	H	α-helix	trans	-54.7	-45.2	174	159.3	0	0	0	0	111.6	L307 E308 N315 Q316	L307-S311 WeakPolarHBondContact O-CB 3.42Å; L307-S311 PolarHBondContact O-N 3.01Å; E308-S311 PolarHBondContact O-N 2.81Å; S311-N315 WeakPolarHBondContact O-CA 3.35Å; S311-N315 PolarHBondContact O-N 2.91Å; S311-N315 VanDerWaalsContact O-N 3.13Å; S311-Q316 VanDerWaalsContact CA-O 3.3Å; S311-Q316 WeakPolarHBondContact CA-O 3.22Å; S311-Q316 WeakPolarHBondContact CB-O 3.41Å; S311-Q316 PolarHBondContact O-N 2.96Å; S311-Q316 PolarHBondContact OG-O 2.88Å
312	K	98.1	Very high	97.4	Very high	186 Å²	186	54.7 Å²	54.7	81%	0.809	28%	0.28	S	S	*	.	H	α-helix	trans	-66.5	-45.2	174.8	-172.2	179.3	179.7	-179.6	0	113.1	E308 L310	E308-K312 PolarHBondContact O-N 2.8Å; E308-K312 VanDerWaalsContact O-N 3.08Å; L310-K312 VanDerWaalsContact C-N 3.28Å; L310-K312 PolarHBondContact O-N 3.02Å
313	A	98.1	Very high	97.3	Very high	26 Å²	26	59.4 Å²	59.4	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-69.8	-35.3	-176.2	0	0	0	0	0	113.1	L278 M287 L288 S309 L310	L278-A313 HydrophobicContact CD2-CB 4.24Å; M287-A313 VanDerWaalsContact CE-O 3.22Å; M287-A313 WeakPolarHBondContact CE-O 3.26Å; L288-A313 HydrophobicContact CB-CB 4.49Å; S309-A313 VanDerWaalsContact O-CB 3.28Å; S309-A313 WeakPolarHBondContact O-CB 3.44Å; S309-A313 PolarHBondContact O-N 3.03Å; L310-A313 PolarHBondContact O-N 2.71Å
314	L	98.2	Very high	97.2	Very high	15 Å²	15	63.4 Å²	63.4	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-91.5	-2.3	179.9	-64.6	174.5	0	0	0	113.5	I199 L231 F237 K255 L278 L310 Q316	I199-L314 HydrophobicContact CD1-CD1 4.01Å; I199-L314 HydrophobicContact CD1-CD2 3.91Å; L231-L314 HydrophobicContact CD1-CD1 4.03Å; L231-L314 HydrophobicContact CD2-CD1 3.88Å; F237-L314 HydrophobicContact CE1-CD2 4.02Å; F237-L314 HydrophobicContact CE2-CB 4.02Å; F237-L314 HydrophobicContact CZ-CB 3.91Å; F237-L314 HydrophobicContact CZ-CD2 3.97Å; F237-L314 HydrophobicContact CZ-CG 4.38Å; K255-L314 HydrophobicContact CD-CD2 3.82Å; L278-L314 HydrophobicContact CD2-CD2 3.74Å; L278-L314 HydrophobicContact CD2-CG 4.16Å; L310-L314 VanDerWaalsContact O-CB 3.32Å; L310-L314 WeakPolarHBondContact O-CB 3.32Å; L310-L314 WeakPolarHBondContact O-CG 3.33Å; L310-L314 PolarHBondContact O-N 3.18Å; L314-Q316 VanDerWaalsContact C-N 3.27Å; L314-Q316 HydrophobicContact CB-CB 4.13Å; L314-Q316 PolarHBondContact O-N 3.09Å
315	N	97.6	Very high	97.1	Very high	146 Å²	146	60.7 Å²	60.7	78%	0.781	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	46.3	-169.9	-171	45.5	0	0	0	112.2	S311	S311-N315 WeakPolarHBondContact O-CA 3.35Å; S311-N315 PolarHBondContact O-N 2.91Å; S311-N315 VanDerWaalsContact O-N 3.13Å
316	Q	97.3	Very high	97	Very high	32 Å²	32	59.3 Å²	59.3	15%	0.15	30%	0.299	C	S	.	.			trans	-126.2	92.5	-173.3	-178	55.1	67.2	0	0	110.4	L231 S235 F237 S311 L314 W318	L231-Q316 HydrophobicContact CD2-CG 4.48Å; S235-Q316 VanDerWaalsContact CB-CD 3.46Å; F237-Q316 HydrophobicContact CE2-CB 4.2Å; F237-Q316 HydrophobicContact CE2-CG 4.47Å; S311-Q316 VanDerWaalsContact CA-O 3.3Å; S311-Q316 WeakPolarHBondContact CA-O 3.22Å; S311-Q316 WeakPolarHBondContact CB-O 3.41Å; S311-Q316 PolarHBondContact O-N 2.96Å; S311-Q316 PolarHBondContact OG-O 2.88Å; L314-Q316 VanDerWaalsContact C-N 3.27Å; L314-Q316 HydrophobicContact CB-CB 4.13Å; L314-Q316 PolarHBondContact O-N 3.09Å; Q316-W318 HydrophobicContact CG-CE3 4.46Å; Q316-W318 HydrophobicContact CG-CZ3 4.17Å
317	P	97.3	Very high	96.8	Very high	92 Å²	92	65 Å²	65	60%	0.597	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-58.4	139.5	171.2	-22.6	34.1	0	0	0	111.2
318	W	97.5	Very high	96.6	Very high	33 Å²	33	68.3 Å²	68.3	13%	0.125	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-83.1	119.1	174.9	-58.1	132.1	0	0	0	110	L231 L307 L310 Q316 M322 Q323	L231-W318 HydrophobicContact CD2-CH2 3.67Å; L231-W318 HydrophobicContact CD2-CZ3 3.84Å; L231-W318 HydrophobicContact CG-CH2 3.97Å; L231-W318 HydrophobicContact CG-CZ3 4.29Å; L307-W318 HydrophobicContact CD2-CZ2 3.99Å; L307-W318 PolarHBondContact O-NE1 3.2Å; L310-W318 HydrophobicContact CB-CZ2 4.3Å; Q316-W318 HydrophobicContact CG-CE3 4.46Å; Q316-W318 HydrophobicContact CG-CZ3 4.17Å; W318-M322 HydrophobicContact CB-CE 4.39Å; W318-M322 HydrophobicContact CB-SD 3.87Å; W318-M322 HydrophobicContact CD2-CE 3.5Å; W318-M322 HydrophobicContact CD2-SD 3.56Å; W318-M322 VanDerWaalsContact CD2-SD 3.56Å; W318-M322 HydrophobicContact CE3-CE 3.61Å; W318-M322 HydrophobicContact CE3-SD 3.22Å; W318-M322 HydrophobicContact CG-CE 3.87Å; W318-M322 HydrophobicContact CG-SD 3.86Å; W318-M322 HydrophobicContact CH2-CE 4.36Å; W318-M322 HydrophobicContact CZ2-CE 4.29Å; W318-M322 HydrophobicContact CZ3-CE 4.03Å; W318-M322 HydrophobicContact CZ3-SD 3.92Å; W318-Q323 HydrophobicContact CB-CG 4.45Å; W318-Q323 PolarHBondContact O-NE2 2.85Å
319	P	97.3	Very high	96.6	Very high	53 Å²	53	63.9 Å²	63.9	34%	0.344	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-66.4	155.2	-178.3	28.5	-34.8	0	0	0	111.3	F234 R321 M322 Q323	F234-P319 HydrophobicContact CB-CG 3.77Å; F234-P319 HydrophobicContact CD1-CG 3.73Å; F234-P319 HydrophobicContact CG-CG 4Å; P319-R321 VanDerWaalsContact C-N 3.26Å; P319-R321 PolarHBondContact O-N 2.8Å; P319-R321 VanDerWaalsContact O-N 3.17Å; P319-M322 HydrophobicContact CG-CB 4.11Å; P319-M322 WeakPolarHBondContact O-CB 3.49Å; P319-M322 PolarHBondContact O-N 3.23Å; P319-Q323 PolarHBondContact O-N 3.24Å
320	Q	96	Very high	96.5	Very high	139 Å²	139	63.4 Å²	63.4	65%	0.65	32%	0.315	S	S	*	.	H	α-helix	trans	-51.5	-43.1	-177.8	179.1	176.1	-15.8	0	0	112.8	M322 Q323 E324	Q320-M322 VanDerWaalsContact C-N 3.29Å; Q320-M322 PolarHBondContact O-N 3.22Å; Q320-Q323 WeakPolarHBondContact O-CB 3.36Å; Q320-Q323 PolarHBondContact O-N 3.01Å; Q320-E324 HydrophobicContact CG-CG 4.29Å; Q320-E324 WeakPolarHBondContact CG-OE1 3.36Å; Q320-E324 PolarHBondContact NE2-OE1 3.14Å; Q320-E324 WeakPolarHBondContact O-CG 3.48Å; Q320-E324 PolarHBondContact O-N 2.85Å
321	R	95	Very high	96.3	Very high	94 Å²	94	63.4 Å²	63.4	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-56.6	-39.3	176.9	178.7	173.4	139.8	-160	-22.1	112.9	F234 P319 E324 T325 D445 L446	F234-R321 HydrophobicContact CE1-CB 4.34Å; F234-R321 HydrophobicContact CE1-CG 4.02Å; F234-R321 HydrophobicContact CZ-CG 4.46Å; P319-R321 VanDerWaalsContact C-N 3.26Å; P319-R321 PolarHBondContact O-N 2.8Å; P319-R321 VanDerWaalsContact O-N 3.17Å; R321-E324 PolarHBondContact O-N 2.65Å; R321-T325 WeakPolarHBondContact O-CB 3.23Å; R321-T325 PolarHBondContact O-N 2.94Å; R321-T325 PolarHBondContact O-OG1 3.01Å; R321-T325 VanDerWaalsContact O-OG1 3.05Å; R321-D445 PolarHBondContact NH2-O 2.87Å; R321-L446 PolarHBondContact NH2-O 2.63Å
322	M	96.6	Very high	96.1	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-44.2	175.7	179.8	178.3	158.4	0	0	111.1	F234 L307 W318 P319 Q320 T325 L326	F234-M322 HydrophobicContact CB-CB 4.45Å; F234-M322 HydrophobicContact CB-SD 4.19Å; F234-M322 HydrophobicContact CD1-CB 4.05Å; F234-M322 HydrophobicContact CD2-CB 3.54Å; F234-M322 HydrophobicContact CD2-CG 3.52Å; F234-M322 HydrophobicContact CD2-SD 3.73Å; F234-M322 HydrophobicContact CE1-CB 4.14Å; F234-M322 HydrophobicContact CE2-CB 3.65Å; F234-M322 HydrophobicContact CE2-CG 3.7Å; F234-M322 HydrophobicContact CE2-SD 4.48Å; F234-M322 HydrophobicContact CG-CB 3.75Å; F234-M322 HydrophobicContact CG-CG 4.16Å; F234-M322 HydrophobicContact CG-SD 4.19Å; F234-M322 HydrophobicContact CZ-CB 3.95Å; F234-M322 HydrophobicContact CZ-CG 4.46Å; L307-M322 HydrophobicContact CD2-CE 4.19Å; W318-M322 HydrophobicContact CB-CE 4.39Å; W318-M322 HydrophobicContact CB-SD 3.87Å; W318-M322 HydrophobicContact CD2-CE 3.5Å; W318-M322 HydrophobicContact CD2-SD 3.56Å; W318-M322 VanDerWaalsContact CD2-SD 3.56Å; W318-M322 HydrophobicContact CE3-CE 3.61Å; W318-M322 HydrophobicContact CE3-SD 3.22Å; W318-M322 HydrophobicContact CG-CE 3.87Å; W318-M322 HydrophobicContact CG-SD 3.86Å; W318-M322 HydrophobicContact CH2-CE 4.36Å; W318-M322 HydrophobicContact CZ2-CE 4.29Å; W318-M322 HydrophobicContact CZ3-CE 4.03Å; W318-M322 HydrophobicContact CZ3-SD 3.92Å; P319-M322 HydrophobicContact CG-CB 4.11Å; P319-M322 WeakPolarHBondContact O-CB 3.49Å; P319-M322 PolarHBondContact O-N 3.23Å; Q320-M322 VanDerWaalsContact C-N 3.29Å; Q320-M322 PolarHBondContact O-N 3.22Å; M322-T325 PolarHBondContact O-N 3.03Å; M322-L326 HydrophobicContact CE-CD1 3.87Å; M322-L326 HydrophobicContact CG-CD1 4.29Å; M322-L326 HydrophobicContact CG-CG 4.46Å; M322-L326 WeakPolarHBondContact O-CG 3.38Å; M322-L326 PolarHBondContact O-N 3.24Å
323	Q	94.5	Very high	95.8	Very high	111 Å²	111	64.3 Å²	64.3	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-43.4	179.8	-56.3	179.1	30.7	0	0	110.8	W318 P319 Q320 L326 Q327	W318-Q323 HydrophobicContact CB-CG 4.45Å; W318-Q323 PolarHBondContact O-NE2 2.85Å; P319-Q323 PolarHBondContact O-N 3.24Å; Q320-Q323 WeakPolarHBondContact O-CB 3.36Å; Q320-Q323 PolarHBondContact O-N 3.01Å; Q323-L326 PolarHBondContact O-N 3.24Å; Q323-Q327 WeakPolarHBondContact O-CG 3.3Å; Q323-Q327 PolarHBondContact O-N 2.82Å; Q323-Q327 VanDerWaalsContact O-N 3.12Å
324	E	94.1	Very high	95.4	Very high	93 Å²	93	64 Å²	64	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-41.6	174.3	-70.5	175.5	-177.7	0	0	112.7	Q320 R321 Q327 K328	Q320-E324 HydrophobicContact CG-CG 4.29Å; Q320-E324 WeakPolarHBondContact CG-OE1 3.36Å; Q320-E324 PolarHBondContact NE2-OE1 3.14Å; Q320-E324 WeakPolarHBondContact O-CG 3.48Å; Q320-E324 PolarHBondContact O-N 2.85Å; R321-E324 PolarHBondContact O-N 2.65Å; E324-Q327 PolarHBondContact O-N 3.12Å; E324-K328 WeakPolarHBondContact O-CG 3.42Å; E324-K328 PolarHBondContact O-N 3.24Å
325	T	95.3	Very high	95.2	Very high	25 Å²	25	67.2 Å²	67.2	15%	0.153	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-49.1	173.9	-67.8	0	0	0	0	111	R321 M322 Q327 K328 I329 L416	R321-T325 WeakPolarHBondContact O-CB 3.23Å; R321-T325 PolarHBondContact O-N 2.94Å; R321-T325 PolarHBondContact O-OG1 3.01Å; R321-T325 VanDerWaalsContact O-OG1 3.05Å; M322-T325 PolarHBondContact O-N 3.03Å; T325-Q327 VanDerWaalsContact C-N 3.26Å; T325-Q327 PolarHBondContact O-N 2.67Å; T325-K328 PolarHBondContact O-N 3.36Å; T325-I329 HydrophobicContact CG2-CD1 4.13Å; T325-I329 HydrophobicContact CG2-CG2 4Å; T325-I329 WeakPolarHBondContact O-CG2 3.25Å; T325-I329 PolarHBondContact O-N 2.91Å; T325-L416 HydrophobicContact CG2-CD2 4.08Å
326	L	94.8	Very high	95	Very high	25 Å²	25	61.4 Å²	61.4	13%	0.131	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-36	179.2	-73.5	179.1	0	0	0	113.2	L226 L307 M322 Q323 K328 I329 L330	L226-L326 HydrophobicContact CD1-CD2 3.67Å; L226-L326 HydrophobicContact CD2-CD2 3.91Å; L226-L326 HydrophobicContact CG-CD2 4.15Å; L307-L326 HydrophobicContact CD1-CD1 3.81Å; M322-L326 HydrophobicContact CE-CD1 3.87Å; M322-L326 HydrophobicContact CG-CD1 4.29Å; M322-L326 HydrophobicContact CG-CG 4.46Å; M322-L326 WeakPolarHBondContact O-CG 3.38Å; M322-L326 PolarHBondContact O-N 3.24Å; Q323-L326 PolarHBondContact O-N 3.24Å; L326-K328 VanDerWaalsContact C-N 3.26Å; L326-K328 PolarHBondContact O-N 3.44Å; L326-I329 HydrophobicContact CD2-CD1 4.45Å; L326-L330 HydrophobicContact CD2-CD1 4.3Å
327	Q	93.7	Very high	95	Very high	121 Å²	121	59.9 Å²	59.9	57%	0.565	30%	0.304	S	S	*	.	H	α-helix	trans	-69.8	-20.3	175	-68.3	-59.8	-33.8	0	0	113.6	Q323 E324 T325 H332	Q323-Q327 WeakPolarHBondContact O-CG 3.3Å; Q323-Q327 PolarHBondContact O-N 2.82Å; Q323-Q327 VanDerWaalsContact O-N 3.12Å; E324-Q327 PolarHBondContact O-N 3.12Å; T325-Q327 VanDerWaalsContact C-N 3.26Å; T325-Q327 PolarHBondContact O-N 2.67Å; Q327-H332 PolarHBondContact O-CE1 3.32Å; Q327-H332 PolarHBondContact OE1-NE2 3.33Å
328	K	95.2	Very high	94.8	Very high	75 Å²	75	56.3 Å²	56.3	33%	0.326	28%	0.281	S	S	.	.	H	α-helix	trans	-94.5	-34.5	179.5	-68.4	175.9	-180	-166.8	0	113.3	E324 T325 L326 F372 Y374 E412 N414 L416	E324-K328 WeakPolarHBondContact O-CG 3.42Å; E324-K328 PolarHBondContact O-N 3.24Å; T325-K328 PolarHBondContact O-N 3.36Å; L326-K328 VanDerWaalsContact C-N 3.26Å; L326-K328 PolarHBondContact O-N 3.44Å; K328-F372 WeakPolarHBondContact O-CE2 3.36Å; K328-Y374 VanDerWaalsContact O-CB 3.24Å; K328-Y374 WeakPolarHBondContact O-CB 3.46Å; K328-E412 WeakPolarHBondContact CD-O 3.36Å; K328-E412 VanDerWaalsContact CE-O 3.28Å; K328-E412 WeakPolarHBondContact CE-O 3.41Å; K328-E412 PolarHBondContact NZ-O 2.83Å; K328-N414 PolarHBondContact NZ-O 3.13Å; K328-L416 HydrophobicContact CB-CD1 4.09Å; K328-L416 HydrophobicContact CB-CD2 4.39Å; K328-L416 HydrophobicContact CD-CD1 4.14Å; K328-L416 HydrophobicContact CD-CD2 4.06Å; K328-L416 HydrophobicContact CD-CG 4.31Å
329	I	96.6	Very high	94.8	Very high	22 Å²	22	57.4 Å²	57.4	11%	0.113	29%	0.289	C	S	.	.	H	α-helix	trans	-91	-6.1	-170.7	74.4	178	0	0	0	114.8	L226 T325 L326 F340 Y374 L416	L226-I329 HydrophobicContact CD1-CD1 4.12Å; T325-I329 HydrophobicContact CG2-CD1 4.13Å; T325-I329 HydrophobicContact CG2-CG2 4Å; T325-I329 WeakPolarHBondContact O-CG2 3.25Å; T325-I329 PolarHBondContact O-N 2.91Å; L326-I329 HydrophobicContact CD2-CD1 4.45Å; I329-F340 VanDerWaalsContact O-CZ 3.22Å; I329-F340 WeakPolarHBondContact O-CZ 3.37Å; I329-Y374 HydrophobicContact CB-CD1 4.27Å; I329-Y374 HydrophobicContact CB-CD2 3.94Å; I329-Y374 HydrophobicContact CB-CE1 4.08Å; I329-Y374 HydrophobicContact CB-CE2 3.72Å; I329-Y374 HydrophobicContact CB-CG 4.2Å; I329-Y374 HydrophobicContact CG2-CD2 3.64Å; I329-Y374 HydrophobicContact CG2-CE2 3.35Å; I329-Y374 HydrophobicContact CG2-CG 4.37Å; I329-Y374 WeakPolarHBondContact O-CD1 3.34Å; I329-L416 HydrophobicContact CG2-CD1 4.49Å; I329-L416 HydrophobicContact CG2-CD2 4.23Å
330	L	96.1	Very high	94.8	Very high	13 Å²	13	55.4 Å²	55.4	7%	0.068	28%	0.275	C	S	.	.	S	Bend	trans	-120.2	135.7	-177	-59.2	176.5	0	0	0	111.7	L226 L300 L326 H332 F340 F372	L226-L330 HydrophobicContact CD2-CD1 4.38Å; L300-L330 HydrophobicContact CD2-CB 4.04Å; L300-L330 HydrophobicContact CD2-CD1 3.78Å; L300-L330 HydrophobicContact CD2-CG 4.43Å; L326-L330 HydrophobicContact CD2-CD1 4.3Å; L330-H332 PolarHBondContact O-N 3.13Å; L330-F340 HydrophobicContact CD2-CE1 3.94Å; L330-F372 WeakPolarHBondContact O-CE2 3.35Å
331	P	95.5	Very high	94.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.			trans	-76.6	117.1	-179.2	27.8	-31.2	0	0	0	111.4	R333 L337 F340 F372	P331-R333 PolarHBondContact O-N 3.45Å; P331-L337 HydrophobicContact CG-CD2 3.86Å; P331-L337 HydrophobicContact CG-CG 4.44Å; P331-L337 WeakPolarHBondContact O-CD2 3.38Å; P331-F340 HydrophobicContact CG-CB 3.9Å; P331-F340 HydrophobicContact CG-CD1 4.05Å; P331-F340 HydrophobicContact CG-CD2 4.18Å; P331-F340 HydrophobicContact CG-CG 3.76Å; P331-F372 HydrophobicContact CB-CD1 3.79Å; P331-F372 HydrophobicContact CB-CD2 4.41Å; P331-F372 HydrophobicContact CB-CE1 3.7Å; P331-F372 HydrophobicContact CB-CE2 4.34Å; P331-F372 HydrophobicContact CB-CG 4.17Å; P331-F372 HydrophobicContact CB-CZ 4.01Å; P331-F372 HydrophobicContact CG-CE1 4.02Å; P331-F372 HydrophobicContact CG-CZ 4.24Å
332	H	93.4	Very high	94.9	Very high	119 Å²	119	45.9 Å²	45.9	55%	0.551	23%	0.234	S	C	*	.	S	Bend	trans	-65.6	-20.5	177.6	-52.2	90.3	0	0	0	114	Q327 L330 G334	Q327-H332 PolarHBondContact O-CE1 3.32Å; Q327-H332 PolarHBondContact OE1-NE2 3.33Å; L330-H332 PolarHBondContact O-N 3.13Å; H332-G334 PolarHBondContact O-N 2.89Å
333	R	92.7	Very high	95	Very high	115 Å²	115	45.9 Å²	45.9	43%	0.434	23%	0.234	S	C	.	.			trans	-73.6	97.7	175.7	-63.6	-165.6	-171.4	-168.9	15.1	110	P331 A335 L336 S368 S369 E371	P331-R333 PolarHBondContact O-N 3.45Å; R333-A335 PolarHBondContact O-N 3.42Å; R333-L336 HydrophobicContact CB-CD1 4Å; R333-L336 HydrophobicContact CB-CG 4.11Å; R333-L336 WeakPolarHBondContact O-CB 3.33Å; R333-L336 PolarHBondContact O-N 3Å; R333-S368 VanDerWaalsContact CZ-O 3.29Å; R333-S368 PolarHBondContact NH1-O 2.94Å; R333-S369 PolarHBondContact NE-OG 3.36Å; R333-E371 IonicContact CZ-OE1 3.15Å; R333-E371 IonicContact CZ-OE2 3.75Å; R333-E371 IonicContact NE-OE1 2.73Å; R333-E371 PolarHBondContact NE-OE1 3.03Å; R333-E371 IonicContact NH2-OE1 2.77Å; R333-E371 PolarHBondContact NH2-OE1 3.03Å; R333-E371 IonicContact NH2-OE2 2.81Å; R333-E371 PolarHBondContact NH2-OE2 3.45Å
334	G	89.6	Confident	95.2	Very high	20 Å²	20	41.9 Å²	41.9	21%	0.206	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-51.2	-30.3	-172.9	0	0	0	0	0	116.4	H332 L336 L337	H332-G334 PolarHBondContact O-N 2.89Å; G334-L336 PolarHBondContact O-N 3.29Å; G334-L337 PolarHBondContact O-N 2.94Å
335	A	92.4	Very high	95.3	Very high	82 Å²	82	38.3 Å²	38.3	68%	0.678	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-65.3	-22.9	176.3	0	0	0	0	0	114.3	R333	R333-A335 PolarHBondContact O-N 3.42Å
336	L	95.1	Very high	95.5	Very high	23 Å²	23	40.3 Å²	40.3	12%	0.12	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-90.9	-19.1	-177.5	-56.3	-176.5	0	0	0	113.1	R333 G334 T338 N339 F340 I365 S369	R333-L336 HydrophobicContact CB-CD1 4Å; R333-L336 HydrophobicContact CB-CG 4.11Å; R333-L336 WeakPolarHBondContact O-CB 3.33Å; R333-L336 PolarHBondContact O-N 3Å; G334-L336 PolarHBondContact O-N 3.29Å; L336-T338 VanDerWaalsContact C-N 3.28Å; L336-T338 PolarHBondContact O-N 3.05Å; L336-N339 PolarHBondContact O-N 3.39Å; L336-N339 VanDerWaalsContact O-N 3.1Å; L336-F340 PolarHBondContact O-N 3.07Å; L336-I365 HydrophobicContact CD1-CG2 4.33Å; L336-S369 VanDerWaalsContact CD1-CB 3.46Å
337	L	95.5	Very high	95.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-54.7	-42.4	-175	-72.6	162.9	0	0	0	112.4	Q299 L300 P331 G334 N339 F340 Y341	Q299-L337 HydrophobicContact CB-CD1 4.07Å; L300-L337 HydrophobicContact CD1-CD1 4.13Å; L300-L337 HydrophobicContact CD1-CD2 4.11Å; L300-L337 HydrophobicContact CD2-CD2 3.82Å; L300-L337 HydrophobicContact CG-CD1 3.74Å; L300-L337 HydrophobicContact CG-CD2 3.77Å; L300-L337 HydrophobicContact CG-CG 4.42Å; P331-L337 HydrophobicContact CG-CD2 3.86Å; P331-L337 HydrophobicContact CG-CG 4.44Å; P331-L337 WeakPolarHBondContact O-CD2 3.38Å; G334-L337 PolarHBondContact O-N 2.94Å; L337-N339 PolarHBondContact O-N 3.49Å; L337-F340 PolarHBondContact O-N 3.33Å; L337-Y341 HydrophobicContact CB-CD2 4.38Å; L337-Y341 HydrophobicContact CB-CE2 4.34Å; L337-Y341 HydrophobicContact CD2-CE2 4.07Å; L337-Y341 WeakPolarHBondContact O-CD2 3.5Å; L337-Y341 PolarHBondContact O-N 3.2Å
338	T	94.7	Very high	95.8	Very high	17 Å²	17	34.1 Å²	34.1	10%	0.104	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-42.3	179.8	-60.2	0	0	0	0	112.3	Y215 N296 Q299 L336 Q342	Y215-T338 HydrophobicContact CD1-CG2 3.35Å; Y215-T338 HydrophobicContact CE1-CG2 4.11Å; Y215-T338 HydrophobicContact CG-CG2 3.87Å; N296-T338 PolarHBondContact OD1-OG1 2.58Å; Q299-T338 PolarHBondContact NE2-OG1 2.84Å; Q299-T338 VanDerWaalsContact NE2-OG1 3.15Å; L336-T338 VanDerWaalsContact C-N 3.28Å; L336-T338 PolarHBondContact O-N 3.05Å; T338-Q342 WeakPolarHBondContact O-CB 3.22Å; T338-Q342 PolarHBondContact O-N 3.25Å
339	N	96.1	Very high	95.9	Very high	56 Å²	56	33.9 Å²	33.9	30%	0.299	18%	0.175	S	C	.	.	H	α-helix	trans	-73	-33.5	176.6	-76.5	21.2	0	0	0	111.6	L336 L337 Q342 A343 L361 E364 I365	L336-N339 PolarHBondContact O-N 3.39Å; L336-N339 VanDerWaalsContact O-N 3.1Å; L337-N339 PolarHBondContact O-N 3.49Å; N339-Q342 PolarHBondContact O-N 2.83Å; N339-A343 WeakPolarHBondContact O-CB 3.43Å; N339-A343 PolarHBondContact O-N 3.02Å; N339-L361 HydrophobicContact CB-CD2 4.06Å; N339-E364 PolarHBondContact ND2-OE2 2.91Å; N339-I365 HydrophobicContact CB-CD1 4.18Å; N339-I365 HydrophobicContact CB-CG1 4.43Å
340	F	97.5	Very high	95.9	Very high	11 Å²	11	32.9 Å²	32.9	5%	0.048	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-50.7	177	-177.1	-102.8	0	0	0	111.7	I329 L330 P331 L336 L337 Q342 A343 H344 L362 I365 F372 Y374 E378	I329-F340 VanDerWaalsContact O-CZ 3.22Å; I329-F340 WeakPolarHBondContact O-CZ 3.37Å; L330-F340 HydrophobicContact CD2-CE1 3.94Å; P331-F340 HydrophobicContact CG-CB 3.9Å; P331-F340 HydrophobicContact CG-CD1 4.05Å; P331-F340 HydrophobicContact CG-CD2 4.18Å; P331-F340 HydrophobicContact CG-CG 3.76Å; L336-F340 PolarHBondContact O-N 3.07Å; L337-F340 PolarHBondContact O-N 3.33Å; F340-Q342 VanDerWaalsContact C-N 3.26Å; F340-Q342 PolarHBondContact O-N 3.16Å; F340-A343 PolarHBondContact O-N 3.4Å; F340-A343 VanDerWaalsContact O-N 3.16Å; F340-H344 PolarHBondContact O-N 3.16Å; F340-L362 HydrophobicContact CD2-CD2 4.47Å; F340-I365 HydrophobicContact CB-CD1 3.93Å; F340-I365 HydrophobicContact CD2-CD1 4.28Å; F340-F372 AromaticContact CD2-CE1 3.99Å; F340-F372 HydrophobicContact CD2-CE1 3.99Å; F340-F372 HydrophobicContact CD2-CZ 4.47Å; F340-F372 AromaticContact CE2-CE1 3.76Å; F340-F372 HydrophobicContact CE2-CE1 3.76Å; F340-F372 AromaticContact CE2-CZ 3.91Å; F340-F372 HydrophobicContact CE2-CZ 3.91Å; F340-F372 HydrophobicContact CZ-CE1 4.49Å; F340-F372 HydrophobicContact CZ-CZ 4.21Å; F340-Y374 HydrophobicContact CE2-CD1 4.28Å; F340-Y374 HydrophobicContact CE2-CE1 4.38Å; F340-Y374 HydrophobicContact CZ-CD1 4.25Å; F340-Y374 HydrophobicContact CZ-CE1 4.08Å; F340-E378 WeakPolarHBondContact CE2-OE2 3.39Å
341	Y	97.2	Very high	95.8	Very high	7 Å²	7	34 Å²	34	3%	0.027	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-34.2	174.3	-76.6	-65.1	0	0	0	112.7	Y219 Q299 Q303 L337 D345	Y219-Y341 HydrophobicContact CD2-CD1 4.44Å; Y219-Y341 AromaticContact CD2-CD2 3.73Å; Y219-Y341 HydrophobicContact CD2-CD2 3.73Å; Y219-Y341 HydrophobicContact CD2-CE1 4.21Å; Y219-Y341 AromaticContact CD2-CE2 3.49Å; Y219-Y341 HydrophobicContact CD2-CE2 3.49Å; Y219-Y341 VanDerWaalsContact CD2-CE2 3.49Å; Y219-Y341 HydrophobicContact CD2-CG 4.23Å; Y219-Y341 AromaticContact CD2-CZ 3.75Å; Y219-Y341 AromaticContact CE2-CE2 3.96Å; Y219-Y341 HydrophobicContact CE2-CE2 3.96Å; Q299-Y341 HydrophobicContact CB-CE2 4.38Å; Q303-Y341 PolarHBondContact OE1-OH 3.05Å; L337-Y341 HydrophobicContact CB-CD2 4.38Å; L337-Y341 HydrophobicContact CB-CE2 4.34Å; L337-Y341 HydrophobicContact CD2-CE2 4.07Å; L337-Y341 WeakPolarHBondContact O-CD2 3.5Å; L337-Y341 PolarHBondContact O-N 3.2Å; Y341-D345 WeakPolarHBondContact O-CB 3.49Å; Y341-D345 PolarHBondContact O-N 3.31Å
342	Q	97.1	Very high	95.8	Very high	26 Å²	26	36.5 Å²	36.5	12%	0.121	19%	0.19	C	C	.	.	H	α-helix	trans	-70.2	-37	175.3	-168.4	60.8	76	0	0	112.7	T338 N339 F340 D345 Y346 L361	T338-Q342 WeakPolarHBondContact O-CB 3.22Å; T338-Q342 PolarHBondContact O-N 3.25Å; N339-Q342 PolarHBondContact O-N 2.83Å; F340-Q342 VanDerWaalsContact C-N 3.26Å; F340-Q342 PolarHBondContact O-N 3.16Å; Q342-D345 PolarHBondContact NE2-OD2 2.83Å; Q342-Y346 HydrophobicContact CG-CD2 4.23Å; Q342-Y346 HydrophobicContact CG-CE2 3.7Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.24Å; Q342-Y346 PolarHBondContact O-N 3.42Å; Q342-Y346 VanDerWaalsContact O-N 3.13Å; Q342-L361 HydrophobicContact CB-CD1 4.13Å; Q342-L361 HydrophobicContact CG-CD1 4.03Å
343	A	98	Very high	95.9	Very high	1 Å²	1	38 Å²	38	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-41.4	173.8	0	0	0	0	0	111.9	N339 F340 Y346 L347 L361 L362	N339-A343 WeakPolarHBondContact O-CB 3.43Å; N339-A343 PolarHBondContact O-N 3.02Å; F340-A343 PolarHBondContact O-N 3.4Å; F340-A343 VanDerWaalsContact O-N 3.16Å; A343-Y346 WeakPolarHBondContact O-CB 3.12Å; A343-Y346 PolarHBondContact O-N 3.19Å; A343-L347 PolarHBondContact O-N 3.24Å; A343-L361 HydrophobicContact CB-CB 3.9Å; A343-L361 HydrophobicContact CB-CD1 4.2Å; A343-L362 HydrophobicContact CB-CD1 4.48Å; A343-L362 HydrophobicContact CB-CD2 4.23Å; A343-L362 HydrophobicContact CB-CG 3.95Å
344	H	98	Very high	96.1	Very high	27 Å²	27	33.1 Å²	33.1	13%	0.125	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-48.7	172.9	172.7	77.3	0	0	0	111.4	D225 F340 Y346 L347 L348	D225-H344 IonicContact OD2-CE1 2.73Å; D225-H344 PolarHBondContact OD2-CE1 2.9Å; D225-H344 IonicContact OD2-NE2 3.69Å; D225-H344 PolarHBondContact OD2-NE2 3.05Å; F340-H344 PolarHBondContact O-N 3.16Å; H344-Y346 VanDerWaalsContact C-N 3.29Å; H344-Y346 PolarHBondContact O-N 3.17Å; H344-L347 WeakPolarHBondContact O-CA 3.47Å; H344-L347 WeakPolarHBondContact O-CB 3.2Å; H344-L347 PolarHBondContact O-N 2.84Å; H344-L348 WeakPolarHBondContact O-CG 3.44Å; H344-L348 PolarHBondContact O-N 3.27Å
345	D	97.6	Very high	96.5	Very high	18 Å²	18	32.2 Å²	32.2	10%	0.096	17%	0.168	C	C	.	.	H	α-helix	trans	-56.9	-40.9	175.6	-175	35.3	0	0	0	112.1	Y341 Q342 L348 H349	Y341-D345 WeakPolarHBondContact O-CB 3.49Å; Y341-D345 PolarHBondContact O-N 3.31Å; Q342-D345 PolarHBondContact NE2-OD2 2.83Å; D345-L348 WeakPolarHBondContact O-CB 3.18Å; D345-L348 PolarHBondContact O-N 2.75Å; D345-H349 PolarHBondContact O-N 3.13Å; D345-H349 PolarHBondContact O-ND1 3.43Å; D345-H349 IonicContact OD1-CE1 3.97Å; D345-H349 PolarHBondContact OD1-CE1 3.29Å; D345-H349 VanDerWaalsContact OD1-CE1 3.32Å; D345-H349 IonicContact OD1-ND1 3.83Å
346	Y	98	Very high	96.7	Very high	68 Å²	68	30.8 Å²	30.8	27%	0.267	15%	0.149	S	C	.	.	H	α-helix	trans	-64.7	-37.5	172.3	-73.3	-50.5	0	0	0	113.8	Q342 A343 H344 L348 H349 G350 S354 R357 L361	Q342-Y346 HydrophobicContact CG-CD2 4.23Å; Q342-Y346 HydrophobicContact CG-CE2 3.7Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.24Å; Q342-Y346 PolarHBondContact O-N 3.42Å; Q342-Y346 VanDerWaalsContact O-N 3.13Å; A343-Y346 WeakPolarHBondContact O-CB 3.12Å; A343-Y346 PolarHBondContact O-N 3.19Å; H344-Y346 VanDerWaalsContact C-N 3.29Å; H344-Y346 PolarHBondContact O-N 3.17Å; Y346-L348 VanDerWaalsContact C-N 3.32Å; Y346-L348 PolarHBondContact O-N 3.35Å; Y346-H349 PolarHBondContact O-N 3.5Å; Y346-G350 PolarHBondContact O-N 2.95Å; Y346-G350 VanDerWaalsContact O-N 3.13Å; Y346-S354 WeakPolarHBondContact CB-O 3.43Å; Y346-S354 WeakPolarHBondContact O-CB 3.36Å; Y346-R357 HydrophobicContact CD2-CB 4.06Å; Y346-R357 HydrophobicContact CD2-CG 3.9Å; Y346-R357 HydrophobicContact CE2-CB 3.92Å; Y346-R357 HydrophobicContact CE2-CG 3.33Å; Y346-R357 HydrophobicContact CG-CB 4.5Å; Y346-L361 HydrophobicContact CD2-CD1 3.95Å; Y346-L361 HydrophobicContact CE2-CD1 3.85Å
347	L	97.8	Very high	96.9	Very high	13 Å²	13	33.8 Å²	33.8	7%	0.068	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-41.6	171.8	174.4	68.1	0	0	0	111	A343 H344 H349 G350 L355 V382 W488	A343-L347 PolarHBondContact O-N 3.24Å; H344-L347 WeakPolarHBondContact O-CA 3.47Å; H344-L347 WeakPolarHBondContact O-CB 3.2Å; H344-L347 PolarHBondContact O-N 2.84Å; L347-H349 VanDerWaalsContact C-N 3.27Å; L347-H349 PolarHBondContact O-N 2.87Å; L347-G350 PolarHBondContact O-N 2.81Å; L347-L355 HydrophobicContact CD1-CD2 4.08Å; L347-V382 HydrophobicContact CD1-CG2 3.99Å; L347-W488 HydrophobicContact CD1-CH2 4.25Å; L347-W488 HydrophobicContact CD1-CZ2 3.87Å; L347-W488 WeakPolarHBondContact O-CZ2 3.35Å; L347-W488 PolarHBondContact O-NE1 3.42Å
348	L	97.7	Very high	97	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-34.5	176.3	-57.8	178.9	0	0	0	112.2	I221 H344 D345 Y346 W450 N484	I221-L348 HydrophobicContact CG2-CD1 3.44Å; I221-L348 VanDerWaalsContact CG2-CD1 3.44Å; H344-L348 WeakPolarHBondContact O-CG 3.44Å; H344-L348 PolarHBondContact O-N 3.27Å; D345-L348 WeakPolarHBondContact O-CB 3.18Å; D345-L348 PolarHBondContact O-N 2.75Å; Y346-L348 VanDerWaalsContact C-N 3.32Å; Y346-L348 PolarHBondContact O-N 3.35Å; L348-W450 HydrophobicContact CD2-CZ2 3.58Å; L348-N484 VanDerWaalsContact C-ND2 3.33Å; L348-N484 WeakPolarHBondContact CB-ND2 3.4Å; L348-N484 VanDerWaalsContact O-CB 3.22Å; L348-N484 WeakPolarHBondContact O-CB 3.45Å; L348-N484 PolarHBondContact O-ND2 3.15Å
349	H	97.1	Very high	97.2	Very high	70 Å²	70	33.3 Å²	33.3	32%	0.324	16%	0.156	S	C	.	.	H	α-helix	trans	-71.9	-39.6	176.7	-73.2	78.9	0	0	0	112.3	D345 Y346 L347 D351 Y487	D345-H349 PolarHBondContact O-N 3.13Å; D345-H349 PolarHBondContact O-ND1 3.43Å; D345-H349 IonicContact OD1-CE1 3.97Å; D345-H349 PolarHBondContact OD1-CE1 3.29Å; D345-H349 VanDerWaalsContact OD1-CE1 3.32Å; D345-H349 IonicContact OD1-ND1 3.83Å; Y346-H349 PolarHBondContact O-N 3.5Å; L347-H349 VanDerWaalsContact C-N 3.27Å; L347-H349 PolarHBondContact O-N 2.87Å; H349-D351 PolarHBondContact O-N 2.85Å; H349-D351 VanDerWaalsContact O-N 3.16Å; H349-Y487 WeakPolarHBondContact O-CD1 3.42Å
350	G	96	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.166	C	C	.	.			trans	77.2	-11.7	170.6	0	0	0	0	0	117.1	Y346 L347 L355 Q389 Y487 W488	Y346-G350 PolarHBondContact O-N 2.95Å; Y346-G350 VanDerWaalsContact O-N 3.13Å; L347-G350 PolarHBondContact O-N 2.81Å; G350-L355 VanDerWaalsContact O-CD1 3.29Å; G350-L355 WeakPolarHBondContact O-CD1 3.22Å; G350-L355 WeakPolarHBondContact O-CG 3.42Å; G350-Q389 PolarHBondContact O-NE2 2.89Å; G350-Y487 VanDerWaalsContact C-CE1 3.42Å; G350-Y487 WeakPolarHBondContact O-CE1 3.36Å; G350-W488 VanDerWaalsContact CA-NE1 3.32Å
351	D	95.9	Very high	97.3	Very high	38 Å²	38	35.4 Å²	35.4	20%	0.203	17%	0.165	C	C	.	.	S	Bend	trans	-68.7	161.5	178.8	72	86.8	0	0	0	113.4	H349 K353 S354 L355 Y487	H349-D351 PolarHBondContact O-N 2.85Å; H349-D351 VanDerWaalsContact O-N 3.16Å; D351-K353 VanDerWaalsContact C-N 3.29Å; D351-K353 PolarHBondContact O-N 3.14Å; D351-K353 WeakPolarHBondContact OD1-CB 3.32Å; D351-K353 PolarHBondContact OD1-N 3.15Å; D351-S354 VanDerWaalsContact CG-OG 3.29Å; D351-S354 PolarHBondContact O-N 2.93Å; D351-S354 PolarHBondContact OD1-N 2.92Å; D351-S354 PolarHBondContact OD1-OG 2.85Å; D351-S354 WeakPolarHBondContact OD2-CB 3.41Å; D351-S354 PolarHBondContact OD2-OG 2.93Å; D351-L355 WeakPolarHBondContact O-CG 3.49Å; D351-L355 PolarHBondContact O-N 2.91Å; D351-Y487 WeakPolarHBondContact CA-OH 3.41Å; D351-Y487 HydrophobicContact CB-CE1 4.22Å; D351-Y487 HydrophobicContact CB-CE2 4.35Å
352	D	94.2	Very high	97.3	Very high	52 Å²	52	35.1 Å²	35.1	28%	0.278	16%	0.164	S	C	.	.	H	α-helix	trans	-54.1	-43.2	-175.3	69.7	-50.2	0	0	0	112.7	N356 H390	D352-N356 VanDerWaalsContact O-CB 3.28Å; D352-N356 WeakPolarHBondContact O-CB 3.3Å; D352-N356 PolarHBondContact O-N 3.02Å; D352-N356 PolarHBondContact O-ND2 3.45Å; D352-H390 IonicContact OD2-NE2 3.9Å
353	K	96.2	Very high	97.4	Very high	151 Å²	151	35 Å²	35	66%	0.657	17%	0.17	S	C	*	.	H	α-helix	trans	-73.3	-42.3	-178.8	-64.7	167.3	-169.7	164.2	0	111.2	D351 N356 R357	D351-K353 VanDerWaalsContact C-N 3.29Å; D351-K353 PolarHBondContact O-N 3.14Å; D351-K353 WeakPolarHBondContact OD1-CB 3.32Å; D351-K353 PolarHBondContact OD1-N 3.15Å; K353-N356 PolarHBondContact O-N 3.35Å; K353-R357 PolarHBondContact O-N 2.94Å
354	S	97.3	Very high	97.4	Very high	12 Å²	12	38.6 Å²	38.6	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-51.3	174.7	-68	0	0	0	0	111	Y346 D351 N356 R357 A358	Y346-S354 WeakPolarHBondContact CB-O 3.43Å; Y346-S354 WeakPolarHBondContact O-CB 3.36Å; D351-S354 VanDerWaalsContact CG-OG 3.29Å; D351-S354 PolarHBondContact O-N 2.93Å; D351-S354 PolarHBondContact OD1-N 2.92Å; D351-S354 PolarHBondContact OD1-OG 2.85Å; D351-S354 WeakPolarHBondContact OD2-CB 3.41Å; D351-S354 PolarHBondContact OD2-OG 2.93Å; S354-N356 VanDerWaalsContact C-N 3.35Å; S354-N356 PolarHBondContact O-N 2.9Å; S354-R357 CarbonylContact O-C 3.53Å; S354-R357 PolarHBondContact O-N 3.33Å; S354-A358 PolarHBondContact O-N 3.49Å
355	L	97.6	Very high	97.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-37.3	179.1	-65.7	-173.7	0	0	0	112.6	L347 G350 D351 R357 A358 S359 V382 V385 R386 W488	L347-L355 HydrophobicContact CD1-CD2 4.08Å; G350-L355 VanDerWaalsContact O-CD1 3.29Å; G350-L355 WeakPolarHBondContact O-CD1 3.22Å; G350-L355 WeakPolarHBondContact O-CG 3.42Å; D351-L355 WeakPolarHBondContact O-CG 3.49Å; D351-L355 PolarHBondContact O-N 2.91Å; L355-R357 VanDerWaalsContact C-N 3.33Å; L355-R357 PolarHBondContact O-N 2.83Å; L355-A358 PolarHBondContact O-N 3.36Å; L355-S359 PolarHBondContact O-N 2.91Å; L355-V382 HydrophobicContact CB-CG1 4.23Å; L355-V382 HydrophobicContact CD2-CG1 4.4Å; L355-V382 VanDerWaalsContact O-CG1 3.29Å; L355-V382 WeakPolarHBondContact O-CG1 3.2Å; L355-V385 HydrophobicContact CD1-CB 4.12Å; L355-V385 HydrophobicContact CD1-CG1 3.52Å; L355-R386 HydrophobicContact CB-CG 3.63Å; L355-R386 HydrophobicContact CD1-CG 4.35Å; L355-R386 WeakPolarHBondContact O-CD 3.45Å; L355-W488 HydrophobicContact CD2-CZ2 4.48Å
356	N	97	Very high	97.4	Very high	52 Å²	52	38.4 Å²	38.4	28%	0.278	19%	0.187	S	C	.	.	H	α-helix	trans	-55.7	-48	170	-77.5	-37.5	0	0	0	111.2	D352 K353 S354 S359 E360 R386	D352-N356 VanDerWaalsContact O-CB 3.28Å; D352-N356 WeakPolarHBondContact O-CB 3.3Å; D352-N356 PolarHBondContact O-N 3.02Å; D352-N356 PolarHBondContact O-ND2 3.45Å; K353-N356 PolarHBondContact O-N 3.35Å; S354-N356 VanDerWaalsContact C-N 3.35Å; S354-N356 PolarHBondContact O-N 2.9Å; N356-S359 PolarHBondContact O-N 3.35Å; N356-E360 WeakPolarHBondContact O-CG 3.29Å; N356-E360 PolarHBondContact O-N 3.04Å; N356-E360 VanDerWaalsContact O-N 3.13Å; N356-R386 VanDerWaalsContact OD1-CZ 3.22Å; N356-R386 PolarHBondContact OD1-NE 3.47Å; N356-R386 PolarHBondContact OD1-NH2 3.05Å
357	R	98	Very high	97.3	Very high	87 Å²	87	43 Å²	43	33%	0.328	21%	0.211	S	C	.	.	H	α-helix	trans	-71.2	-31.4	179.6	-169.9	59.1	-171.7	148.4	12.5	113.3	Y346 K353 S354 L355 E360 L361 E364	Y346-R357 HydrophobicContact CD2-CB 4.06Å; Y346-R357 HydrophobicContact CD2-CG 3.9Å; Y346-R357 HydrophobicContact CE2-CB 3.92Å; Y346-R357 HydrophobicContact CE2-CG 3.33Å; Y346-R357 HydrophobicContact CG-CB 4.5Å; K353-R357 PolarHBondContact O-N 2.94Å; S354-R357 CarbonylContact O-C 3.53Å; S354-R357 PolarHBondContact O-N 3.33Å; L355-R357 VanDerWaalsContact C-N 3.33Å; L355-R357 PolarHBondContact O-N 2.83Å; R357-E360 WeakPolarHBondContact CD-OE2 3.16Å; R357-E360 IonicContact CZ-OE2 3.68Å; R357-E360 IonicContact NE-OE2 3.73Å; R357-E360 IonicContact NH1-OE2 2.79Å; R357-E360 PolarHBondContact NH1-OE2 2.79Å; R357-E360 PolarHBondContact O-N 3.33Å; R357-L361 HydrophobicContact CG-CD1 4.33Å; R357-L361 WeakPolarHBondContact O-CG 3.32Å; R357-L361 PolarHBondContact O-N 2.94Å; R357-E364 IonicContact NH1-OE1 3.58Å; R357-E364 IonicContact NH2-OE1 2.82Å
358	A	98.3	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-46.6	171	0	0	0	0	0	111.3	S354 L355 E360 L361 L362 V382	S354-A358 PolarHBondContact O-N 3.49Å; L355-A358 PolarHBondContact O-N 3.36Å; A358-E360 VanDerWaalsContact C-N 3.34Å; A358-E360 PolarHBondContact O-N 3.17Å; A358-L361 PolarHBondContact O-N 2.98Å; A358-L362 WeakPolarHBondContact O-CB 3.28Å; A358-L362 WeakPolarHBondContact O-CD1 3.47Å; A358-L362 VanDerWaalsContact O-CG 3.28Å; A358-L362 WeakPolarHBondContact O-CG 3.33Å; A358-L362 PolarHBondContact O-N 3.4Å; A358-V382 HydrophobicContact CB-CG1 4.17Å; A358-V382 HydrophobicContact CB-CG2 4.28Å
359	S	97.9	Very high	97.2	Very high	8 Å²	8	45.1 Å²	45.1	6%	0.056	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-41.6	176.7	-176.2	0	0	0	0	112.2	L355 N356 G363 K379 D383 R386	L355-S359 PolarHBondContact O-N 2.91Å; N356-S359 PolarHBondContact O-N 3.35Å; S359-G363 PolarHBondContact O-N 3.21Å; S359-K379 VanDerWaalsContact O-CE 3.27Å; S359-K379 WeakPolarHBondContact O-CE 3.44Å; S359-K379 PolarHBondContact OG-NZ 3.35Å; S359-D383 WeakPolarHBondContact CB-OD1 3.42Å; S359-D383 PolarHBondContact OG-OD1 3.05Å; S359-R386 PolarHBondContact OG-NH1 3.04Å
360	E	98.1	Very high	97.1	Very high	107 Å²	107	46.3 Å²	46.3	50%	0.5	24%	0.241	S	C	.	.	H	α-helix	trans	-61.5	-53.3	174.7	-71	173.8	177.5	0	0	111.9	N356 R357 A358 L362 G363 E364	N356-E360 WeakPolarHBondContact O-CG 3.29Å; N356-E360 PolarHBondContact O-N 3.04Å; N356-E360 VanDerWaalsContact O-N 3.13Å; R357-E360 WeakPolarHBondContact CD-OE2 3.16Å; R357-E360 IonicContact CZ-OE2 3.68Å; R357-E360 IonicContact NE-OE2 3.73Å; R357-E360 IonicContact NH1-OE2 2.79Å; R357-E360 PolarHBondContact NH1-OE2 2.79Å; R357-E360 PolarHBondContact O-N 3.33Å; A358-E360 VanDerWaalsContact C-N 3.34Å; A358-E360 PolarHBondContact O-N 3.17Å; E360-L362 PolarHBondContact O-N 2.96Å; E360-G363 WeakPolarHBondContact O-CA 3.48Å; E360-G363 PolarHBondContact O-N 2.83Å; E360-G363 VanDerWaalsContact O-N 3.11Å; E360-E364 PolarHBondContact O-N 2.97Å
361	L	98.2	Very high	97	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-41.9	-179.5	-73.2	172.2	0	0	0	112.4	N339 Q342 A343 Y346 R357 A358 G363 E364 I365	N339-L361 HydrophobicContact CB-CD2 4.06Å; Q342-L361 HydrophobicContact CB-CD1 4.13Å; Q342-L361 HydrophobicContact CG-CD1 4.03Å; A343-L361 HydrophobicContact CB-CB 3.9Å; A343-L361 HydrophobicContact CB-CD1 4.2Å; Y346-L361 HydrophobicContact CD2-CD1 3.95Å; Y346-L361 HydrophobicContact CE2-CD1 3.85Å; R357-L361 HydrophobicContact CG-CD1 4.33Å; R357-L361 WeakPolarHBondContact O-CG 3.32Å; R357-L361 PolarHBondContact O-N 2.94Å; A358-L361 PolarHBondContact O-N 2.98Å; L361-G363 VanDerWaalsContact C-N 3.3Å; L361-G363 PolarHBondContact O-N 3.44Å; L361-E364 WeakPolarHBondContact O-CB 3.19Å; L361-E364 PolarHBondContact O-N 3.15Å; L361-I365 WeakPolarHBondContact O-CD1 3.25Å; L361-I365 VanDerWaalsContact O-CG1 3.24Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 2.91Å
362	L	98.3	Very high	97	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-34	175.6	-68.9	163.5	0	0	0	111.3	F340 A343 A358 E360 I365 V366 A375 E378 K379 V382	F340-L362 HydrophobicContact CD2-CD2 4.47Å; A343-L362 HydrophobicContact CB-CD1 4.48Å; A343-L362 HydrophobicContact CB-CD2 4.23Å; A343-L362 HydrophobicContact CB-CG 3.95Å; A358-L362 WeakPolarHBondContact O-CB 3.28Å; A358-L362 WeakPolarHBondContact O-CD1 3.47Å; A358-L362 VanDerWaalsContact O-CG 3.28Å; A358-L362 WeakPolarHBondContact O-CG 3.33Å; A358-L362 PolarHBondContact O-N 3.4Å; E360-L362 PolarHBondContact O-N 2.96Å; L362-I365 HydrophobicContact CD2-CD1 4.49Å; L362-I365 PolarHBondContact O-N 3.46Å; L362-V366 WeakPolarHBondContact O-CB 3.33Å; L362-V366 VanDerWaalsContact O-CG2 3.26Å; L362-V366 WeakPolarHBondContact O-CG2 3.41Å; L362-V366 PolarHBondContact O-N 3.48Å; L362-A375 HydrophobicContact CD2-CB 4.19Å; L362-E378 HydrophobicContact CD1-CB 4.23Å; L362-E378 HydrophobicContact CD1-CG 3.92Å; L362-E378 HydrophobicContact CD2-CB 4.29Å; L362-E378 HydrophobicContact CD2-CG 4.33Å; L362-K379 HydrophobicContact CB-CB 3.87Å; L362-K379 HydrophobicContact CB-CG 4.11Å; L362-K379 HydrophobicContact CD1-CB 4.41Å; L362-V382 HydrophobicContact CD1-CG2 4.01Å
363	G	97.9	Very high	97	Very high	24 Å²	24	49.2 Å²	49.2	25%	0.247	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-46.9	170.4	0	0	0	0	0	113.1	S359 E360 L361 I365 V366 Q367	S359-G363 PolarHBondContact O-N 3.21Å; E360-G363 WeakPolarHBondContact O-CA 3.48Å; E360-G363 PolarHBondContact O-N 2.83Å; E360-G363 VanDerWaalsContact O-N 3.11Å; L361-G363 VanDerWaalsContact C-N 3.3Å; L361-G363 PolarHBondContact O-N 3.44Å; G363-I365 VanDerWaalsContact C-N 3.3Å; G363-I365 PolarHBondContact O-N 2.97Å; G363-V366 PolarHBondContact O-N 2.87Å; G363-Q367 WeakPolarHBondContact O-CB 3.29Å; G363-Q367 PolarHBondContact O-N 3.36Å
364	E	97.9	Very high	97.1	Very high	76 Å²	76	43.3 Å²	43.3	36%	0.355	23%	0.227	S	C	.	.	H	α-helix	trans	-58.7	-40.7	173.8	-67.4	170.6	-162.9	0	0	111.7	N339 R357 E360 L361 S368	N339-E364 PolarHBondContact ND2-OE2 2.91Å; R357-E364 IonicContact NH1-OE1 3.58Å; R357-E364 IonicContact NH2-OE1 2.82Å; E360-E364 PolarHBondContact O-N 2.97Å; L361-E364 WeakPolarHBondContact O-CB 3.19Å; L361-E364 PolarHBondContact O-N 3.15Å; E364-S368 VanDerWaalsContact O-CB 3.26Å; E364-S368 WeakPolarHBondContact O-CB 3.02Å; E364-S368 PolarHBondContact O-N 3.02Å; E364-S368 PolarHBondContact O-OG 3.36Å
365	I	98	Very high	97	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-66.9	-47.7	177.7	-69.8	163	0	0	0	111.3	L336 N339 F340 L361 L362 G363 Q367 S368 S369 F372 A375	L336-I365 HydrophobicContact CD1-CG2 4.33Å; N339-I365 HydrophobicContact CB-CD1 4.18Å; N339-I365 HydrophobicContact CB-CG1 4.43Å; F340-I365 HydrophobicContact CB-CD1 3.93Å; F340-I365 HydrophobicContact CD2-CD1 4.28Å; L361-I365 WeakPolarHBondContact O-CD1 3.25Å; L361-I365 VanDerWaalsContact O-CG1 3.24Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 2.91Å; L362-I365 HydrophobicContact CD2-CD1 4.49Å; L362-I365 PolarHBondContact O-N 3.46Å; G363-I365 VanDerWaalsContact C-N 3.3Å; G363-I365 PolarHBondContact O-N 2.97Å; I365-Q367 VanDerWaalsContact C-N 3.33Å; I365-Q367 PolarHBondContact O-N 3.3Å; I365-S368 CarbonylContact O-C 3.59Å; I365-S368 PolarHBondContact O-N 3.1Å; I365-S368 VanDerWaalsContact O-N 3.13Å; I365-S369 PolarHBondContact O-N 2.91Å; I365-F372 HydrophobicContact CG2-CD1 3.97Å; I365-F372 HydrophobicContact CG2-CE1 4.4Å; I365-A375 HydrophobicContact CB-CB 4.43Å; I365-A375 HydrophobicContact CG2-CB 3.64Å
366	V	97.1	Very high	96.9	Very high	39 Å²	39	46.6 Å²	46.6	24%	0.236	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-40.7	177.6	169.7	0	0	0	0	111.2	L362 G363 S368 S369 P370 A375 R376	L362-V366 WeakPolarHBondContact O-CB 3.33Å; L362-V366 VanDerWaalsContact O-CG2 3.26Å; L362-V366 WeakPolarHBondContact O-CG2 3.41Å; L362-V366 PolarHBondContact O-N 3.48Å; G363-V366 PolarHBondContact O-N 2.87Å; V366-S368 VanDerWaalsContact C-N 3.33Å; V366-S369 CarbonylContact O-C 3.48Å; V366-P370 WeakPolarHBondContact O-CA 3.39Å; V366-A375 HydrophobicContact CG2-CB 3.81Å; V366-R376 HydrophobicContact CG2-CB 3.98Å
367	Q	97.1	Very high	96.9	Very high	166 Å²	166	44.1 Å²	44.1	78%	0.776	22%	0.224	S	C	*	.	H	α-helix	trans	-65.4	-37.4	174.4	-175	177.7	-1.5	0	0	112.2	G363 I365	G363-Q367 WeakPolarHBondContact O-CB 3.29Å; G363-Q367 PolarHBondContact O-N 3.36Å; I365-Q367 VanDerWaalsContact C-N 3.33Å; I365-Q367 PolarHBondContact O-N 3.3Å
368	S	97	Very high	96.8	Very high	57 Å²	57	40.1 Å²	40.1	40%	0.399	21%	0.209	S	C	.	.	H	α-helix	trans	-78.4	-28.9	-178.4	-60.6	0	0	0	0	113.4	R333 E364 I365 V366	R333-S368 VanDerWaalsContact CZ-O 3.29Å; R333-S368 PolarHBondContact NH1-O 2.94Å; E364-S368 VanDerWaalsContact O-CB 3.26Å; E364-S368 WeakPolarHBondContact O-CB 3.02Å; E364-S368 PolarHBondContact O-N 3.02Å; E364-S368 PolarHBondContact O-OG 3.36Å; I365-S368 CarbonylContact O-C 3.59Å; I365-S368 PolarHBondContact O-N 3.1Å; I365-S368 VanDerWaalsContact O-N 3.13Å; V366-S368 VanDerWaalsContact C-N 3.33Å
369	S	96.4	Very high	96.8	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.021	22%	0.221	C	C	.	.			trans	-141.1	69.8	-173.7	-169.6	0	0	0	0	111	R333 L336 I365 V366 E371 F372	R333-S369 PolarHBondContact NE-OG 3.36Å; L336-S369 VanDerWaalsContact CD1-CB 3.46Å; I365-S369 PolarHBondContact O-N 2.91Å; V366-S369 CarbonylContact O-C 3.48Å; S369-E371 VanDerWaalsContact C-OE2 3.25Å; S369-E371 WeakPolarHBondContact CA-OE2 3.12Å; S369-E371 PolarHBondContact O-N 3.19Å; S369-E371 VanDerWaalsContact O-N 3.08Å; S369-E371 VanDerWaalsContact OG-CD 3.3Å; S369-E371 PolarHBondContact OG-OE1 2.93Å; S369-E371 VanDerWaalsContact OG-OE1 3.06Å; S369-F372 WeakPolarHBondContact O-CB 3.33Å; S369-F372 PolarHBondContact O-N 3.34Å; S369-F372 WeakPolarHBondContact OG-CB 3.45Å
370	P	94.5	Very high	96.7	Very high	94 Å²	94	42.6 Å²	42.6	61%	0.61	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.7	-177.2	-23.7	35.1	0	0	0	114.5	V366 F372	V366-P370 WeakPolarHBondContact O-CA 3.39Å; P370-F372 VanDerWaalsContact C-N 3.32Å
371	E	94	Very high	96.6	Very high	112 Å²	112	37.7 Å²	37.7	52%	0.523	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-15.7	174.1	76.4	-77.9	-169.4	0	0	114.1	R333 S369 T373	R333-E371 IonicContact CZ-OE1 3.15Å; R333-E371 IonicContact CZ-OE2 3.75Å; R333-E371 IonicContact NE-OE1 2.73Å; R333-E371 PolarHBondContact NE-OE1 3.03Å; R333-E371 IonicContact NH2-OE1 2.77Å; R333-E371 PolarHBondContact NH2-OE1 3.03Å; R333-E371 IonicContact NH2-OE2 2.81Å; R333-E371 PolarHBondContact NH2-OE2 3.45Å; S369-E371 VanDerWaalsContact C-OE2 3.25Å; S369-E371 WeakPolarHBondContact CA-OE2 3.12Å; S369-E371 PolarHBondContact O-N 3.19Å; S369-E371 VanDerWaalsContact O-N 3.08Å; S369-E371 VanDerWaalsContact OG-CD 3.3Å; S369-E371 PolarHBondContact OG-OE1 2.93Å; S369-E371 VanDerWaalsContact OG-OE1 3.06Å; E371-T373 VanDerWaalsContact C-N 3.25Å; E371-T373 PolarHBondContact O-N 3.42Å
372	F	95.7	Very high	96.6	Very high	15 Å²	15	37.5 Å²	37.5	7%	0.066	20%	0.196	C	C	.	.			trans	-85.5	71.4	177.8	-178.2	-128.4	0	0	0	109.5	K328 L330 P331 F340 I365 S369 P370 Y374 A375	K328-F372 WeakPolarHBondContact O-CE2 3.36Å; L330-F372 WeakPolarHBondContact O-CE2 3.35Å; P331-F372 HydrophobicContact CB-CD1 3.79Å; P331-F372 HydrophobicContact CB-CD2 4.41Å; P331-F372 HydrophobicContact CB-CE1 3.7Å; P331-F372 HydrophobicContact CB-CE2 4.34Å; P331-F372 HydrophobicContact CB-CG 4.17Å; P331-F372 HydrophobicContact CB-CZ 4.01Å; P331-F372 HydrophobicContact CG-CE1 4.02Å; P331-F372 HydrophobicContact CG-CZ 4.24Å; F340-F372 AromaticContact CD2-CE1 3.99Å; F340-F372 HydrophobicContact CD2-CE1 3.99Å; F340-F372 HydrophobicContact CD2-CZ 4.47Å; F340-F372 AromaticContact CE2-CE1 3.76Å; F340-F372 HydrophobicContact CE2-CE1 3.76Å; F340-F372 AromaticContact CE2-CZ 3.91Å; F340-F372 HydrophobicContact CE2-CZ 3.91Å; F340-F372 HydrophobicContact CZ-CE1 4.49Å; F340-F372 HydrophobicContact CZ-CZ 4.21Å; I365-F372 HydrophobicContact CG2-CD1 3.97Å; I365-F372 HydrophobicContact CG2-CE1 4.4Å; S369-F372 WeakPolarHBondContact O-CB 3.33Å; S369-F372 PolarHBondContact O-N 3.34Å; S369-F372 WeakPolarHBondContact OG-CB 3.45Å; P370-F372 VanDerWaalsContact C-N 3.32Å; F372-Y374 AromaticContact CZ-CD1 3.93Å; F372-Y374 HydrophobicContact CZ-CD1 3.93Å; F372-Y374 HydrophobicContact CZ-CG 4.34Å; F372-Y374 PolarHBondContact O-N 2.87Å; F372-A375 HydrophobicContact CD1-CB 3.46Å; F372-A375 VanDerWaalsContact CD1-CB 3.46Å; F372-A375 HydrophobicContact CE1-CB 3.59Å; F372-A375 PolarHBondContact O-N 3.43Å
373	T	95.1	Very high	96.5	Very high	24 Å²	24	38.4 Å²	38.4	15%	0.147	20%	0.201	C	C	.	.	H	α-helix	trans	-51.2	-36.4	-174.3	-48.7	0	0	0	0	112	E371 A375 R376 V377 L410 E412 L413	E371-T373 VanDerWaalsContact C-N 3.25Å; E371-T373 PolarHBondContact O-N 3.42Å; T373-A375 PolarHBondContact O-N 3.29Å; T373-R376 WeakPolarHBondContact O-CA 3.46Å; T373-R376 WeakPolarHBondContact O-CB 3.49Å; T373-R376 PolarHBondContact O-N 2.81Å; T373-V377 WeakPolarHBondContact O-CG2 3.31Å; T373-V377 PolarHBondContact O-N 3.02Å; T373-L410 HydrophobicContact CG2-CD1 3.53Å; T373-E412 HydrophobicContact CG2-CG 4.47Å; T373-E412 WeakPolarHBondContact CG2-OE1 3.28Å; T373-E412 PolarHBondContact OG1-OE1 2.85Å; T373-L413 HydrophobicContact CG2-CD1 3.81Å; T373-L413 HydrophobicContact CG2-CD2 3.81Å; T373-L413 HydrophobicContact CG2-CG 3.96Å
374	Y	96.7	Very high	96.3	Very high	27 Å²	27	37.5 Å²	37.5	11%	0.106	19%	0.19	C	C	.	.	H	α-helix	trans	-54.9	-41.9	-178.5	-174.5	-92.2	0	0	0	114.3	K328 I329 F340 F372 R376 V377 E378 L416 I418	K328-Y374 VanDerWaalsContact O-CB 3.24Å; K328-Y374 WeakPolarHBondContact O-CB 3.46Å; I329-Y374 HydrophobicContact CB-CD1 4.27Å; I329-Y374 HydrophobicContact CB-CD2 3.94Å; I329-Y374 HydrophobicContact CB-CE1 4.08Å; I329-Y374 HydrophobicContact CB-CE2 3.72Å; I329-Y374 HydrophobicContact CB-CG 4.2Å; I329-Y374 HydrophobicContact CG2-CD2 3.64Å; I329-Y374 HydrophobicContact CG2-CE2 3.35Å; I329-Y374 HydrophobicContact CG2-CG 4.37Å; I329-Y374 WeakPolarHBondContact O-CD1 3.34Å; F340-Y374 HydrophobicContact CE2-CD1 4.28Å; F340-Y374 HydrophobicContact CE2-CE1 4.38Å; F340-Y374 HydrophobicContact CZ-CD1 4.25Å; F340-Y374 HydrophobicContact CZ-CE1 4.08Å; F372-Y374 AromaticContact CZ-CD1 3.93Å; F372-Y374 HydrophobicContact CZ-CD1 3.93Å; F372-Y374 HydrophobicContact CZ-CG 4.34Å; F372-Y374 PolarHBondContact O-N 2.87Å; Y374-R376 PolarHBondContact O-N 2.94Å; Y374-V377 WeakPolarHBondContact O-CA 3.47Å; Y374-V377 WeakPolarHBondContact O-CB 3.23Å; Y374-V377 PolarHBondContact O-N 2.65Å; Y374-E378 HydrophobicContact CE1-CB 4.29Å; Y374-E378 WeakPolarHBondContact CE1-OE2 3.34Å; Y374-E378 PolarHBondContact O-N 2.95Å; Y374-L416 HydrophobicContact CD2-CD1 4.18Å; Y374-I418 HydrophobicContact CD2-CG2 4.11Å; Y374-I418 HydrophobicContact CE1-CD1 4.4Å; Y374-I418 HydrophobicContact CE2-CB 4.2Å; Y374-I418 HydrophobicContact CE2-CD1 3.85Å; Y374-I418 HydrophobicContact CE2-CG2 3.67Å
375	A	96.7	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-29.8	176.5	0	0	0	0	0	112.9	L362 I365 V366 F372 T373 K379	L362-A375 HydrophobicContact CD2-CB 4.19Å; I365-A375 HydrophobicContact CB-CB 4.43Å; I365-A375 HydrophobicContact CG2-CB 3.64Å; V366-A375 HydrophobicContact CG2-CB 3.81Å; F372-A375 HydrophobicContact CD1-CB 3.46Å; F372-A375 VanDerWaalsContact CD1-CB 3.46Å; F372-A375 HydrophobicContact CE1-CB 3.59Å; F372-A375 PolarHBondContact O-N 3.43Å; T373-A375 PolarHBondContact O-N 3.29Å; A375-K379 VanDerWaalsContact O-CB 3.26Å; A375-K379 WeakPolarHBondContact O-CB 3.47Å; A375-K379 PolarHBondContact O-N 3.42Å
376	R	95.3	Very high	96	Very high	81 Å²	81	36.8 Å²	36.8	31%	0.306	18%	0.184	S	C	.	.	H	α-helix	trans	-68.1	-38.6	174.3	-168.1	-174.2	174.8	-167.2	-4.9	111	V366 T373 Y374 A380 E403 I407	V366-R376 HydrophobicContact CG2-CB 3.98Å; T373-R376 WeakPolarHBondContact O-CA 3.46Å; T373-R376 WeakPolarHBondContact O-CB 3.49Å; T373-R376 PolarHBondContact O-N 2.81Å; Y374-R376 PolarHBondContact O-N 2.94Å; R376-A380 PolarHBondContact O-N 3.18Å; R376-A380 VanDerWaalsContact O-N 3.1Å; R376-E403 IonicContact CZ-OE1 3.83Å; R376-E403 IonicContact CZ-OE2 2.69Å; R376-E403 IonicContact NE-OE1 2.72Å; R376-E403 PolarHBondContact NE-OE1 3.32Å; R376-E403 IonicContact NE-OE2 3.64Å; R376-E403 VanDerWaalsContact NH2-CD 3.29Å; R376-E403 IonicContact NH2-OE1 3.91Å; R376-E403 PolarHBondContact NH2-OE1 3.44Å; R376-E403 VanDerWaalsContact NH2-OE1 3.12Å; R376-E403 IonicContact NH2-OE2 2.7Å; R376-E403 PolarHBondContact NH2-OE2 2.76Å; R376-I407 HydrophobicContact CG-CD1 4.03Å; R376-I407 HydrophobicContact CG-CG1 4.4Å
377	V	95.7	Very high	95.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.6	-50	175.3	-161.1	0	0	0	0	111	T373 Y374 K379 A380 L381 I407 L413 I418 I419 I422	T373-V377 WeakPolarHBondContact O-CG2 3.31Å; T373-V377 PolarHBondContact O-N 3.02Å; Y374-V377 WeakPolarHBondContact O-CA 3.47Å; Y374-V377 WeakPolarHBondContact O-CB 3.23Å; Y374-V377 PolarHBondContact O-N 2.65Å; V377-K379 VanDerWaalsContact C-N 3.27Å; V377-K379 PolarHBondContact O-N 2.9Å; V377-A380 WeakPolarHBondContact O-CA 3.46Å; V377-A380 WeakPolarHBondContact O-CB 3.45Å; V377-A380 PolarHBondContact O-N 3.08Å; V377-L381 PolarHBondContact O-N 2.84Å; V377-I407 HydrophobicContact CB-CG2 4.2Å; V377-I407 HydrophobicContact CG1-CG2 3.82Å; V377-I407 HydrophobicContact CG2-CG2 3.87Å; V377-L413 HydrophobicContact CG2-CD1 3.3Å; V377-L413 HydrophobicContact CG2-CD2 3.71Å; V377-L413 HydrophobicContact CG2-CG 4.14Å; V377-I418 HydrophobicContact CB-CD1 4.26Å; V377-I418 HydrophobicContact CB-CG2 4.34Å; V377-I418 HydrophobicContact CG1-CB 4.35Å; V377-I418 HydrophobicContact CG1-CD1 4.13Å; V377-I418 HydrophobicContact CG1-CG1 3.92Å; V377-I418 HydrophobicContact CG1-CG2 3.71Å; V377-I419 HydrophobicContact CG1-CD1 4.02Å; V377-I422 HydrophobicContact CG1-CD1 3.39Å; V377-I422 WeakPolarHBondContact O-CD1 3.49Å
378	E	97.5	Very high	95.5	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-38	178.9	-167.2	175	-168.1	0	0	111.3	F340 L362 Y374 A380 L381 V382 I418	F340-E378 WeakPolarHBondContact CE2-OE2 3.39Å; L362-E378 HydrophobicContact CD1-CB 4.23Å; L362-E378 HydrophobicContact CD1-CG 3.92Å; L362-E378 HydrophobicContact CD2-CB 4.29Å; L362-E378 HydrophobicContact CD2-CG 4.33Å; Y374-E378 HydrophobicContact CE1-CB 4.29Å; Y374-E378 WeakPolarHBondContact CE1-OE2 3.34Å; Y374-E378 PolarHBondContact O-N 2.95Å; E378-A380 PolarHBondContact O-N 3.35Å; E378-L381 PolarHBondContact O-N 2.82Å; E378-V382 WeakPolarHBondContact O-CG2 3.25Å; E378-V382 PolarHBondContact O-N 2.83Å; E378-I418 HydrophobicContact CB-CD1 3.84Å; E378-I418 HydrophobicContact CG-CD1 4.28Å
379	K	97.6	Very high	95.1	Very high	56 Å²	56	29 Å²	29	24%	0.243	14%	0.143	C	C	.	.	H	α-helix	trans	-60.8	-44.1	171.1	-166.2	-178.2	-176.9	-64.3	0	112.2	S359 L362 A375 V377 L381 V382 D383	S359-K379 VanDerWaalsContact O-CE 3.27Å; S359-K379 WeakPolarHBondContact O-CE 3.44Å; S359-K379 PolarHBondContact OG-NZ 3.35Å; L362-K379 HydrophobicContact CB-CB 3.87Å; L362-K379 HydrophobicContact CB-CG 4.11Å; L362-K379 HydrophobicContact CD1-CB 4.41Å; A375-K379 VanDerWaalsContact O-CB 3.26Å; A375-K379 WeakPolarHBondContact O-CB 3.47Å; A375-K379 PolarHBondContact O-N 3.42Å; V377-K379 VanDerWaalsContact C-N 3.27Å; V377-K379 PolarHBondContact O-N 2.9Å; K379-L381 VanDerWaalsContact C-N 3.34Å; K379-L381 PolarHBondContact O-N 3.45Å; K379-V382 PolarHBondContact O-N 3.48Å; K379-D383 IonicContact NZ-OD1 3.12Å; K379-D383 IonicContact NZ-OD2 3.32Å; K379-D383 PolarHBondContact NZ-OD2 3.01Å; K379-D383 WeakPolarHBondContact O-CB 3.46Å; K379-D383 VanDerWaalsContact O-CG 3.26Å; K379-D383 PolarHBondContact O-N 2.89Å
380	A	96.2	Very high	94.8	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-65.6	-35.8	178	0	0	0	0	0	112.4	R376 V377 E378 I384 I404 I407 I422	R376-A380 PolarHBondContact O-N 3.18Å; R376-A380 VanDerWaalsContact O-N 3.1Å; V377-A380 WeakPolarHBondContact O-CA 3.46Å; V377-A380 WeakPolarHBondContact O-CB 3.45Å; V377-A380 PolarHBondContact O-N 3.08Å; E378-A380 PolarHBondContact O-N 3.35Å; A380-I384 WeakPolarHBondContact O-CG2 3.11Å; A380-I384 PolarHBondContact O-N 2.92Å; A380-I404 HydrophobicContact CB-CG1 4.34Å; A380-I407 HydrophobicContact CB-CD1 3.64Å; A380-I422 HydrophobicContact CB-CD1 4.11Å
381	L	96.5	Very high	94.6	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-64.2	-47.4	171.6	-179.7	61.4	0	0	0	111.6	V377 E378 K379 D383 I384 V385 I418 Q421 I422 V425	V377-L381 PolarHBondContact O-N 2.84Å; E378-L381 PolarHBondContact O-N 2.82Å; K379-L381 VanDerWaalsContact C-N 3.34Å; K379-L381 PolarHBondContact O-N 3.45Å; L381-D383 PolarHBondContact O-N 3.43Å; L381-I384 HydrophobicContact CD1-CG2 4.45Å; L381-I384 VanDerWaalsContact O-CG2 3.25Å; L381-I384 WeakPolarHBondContact O-CG2 3.38Å; L381-I384 PolarHBondContact O-N 2.9Å; L381-V385 WeakPolarHBondContact O-CG2 3.33Å; L381-V385 PolarHBondContact O-N 3.26Å; L381-I418 HydrophobicContact CD2-CD1 4.38Å; L381-I418 HydrophobicContact CD2-CG1 4.03Å; L381-Q421 HydrophobicContact CD1-CB 4.12Å; L381-Q421 HydrophobicContact CD2-CB 4.15Å; L381-I422 HydrophobicContact CB-CD1 4.35Å; L381-I422 HydrophobicContact CB-CG1 3.86Å; L381-I422 HydrophobicContact CD1-CG1 4.13Å; L381-V425 HydrophobicContact CD1-CG2 4.11Å
382	V	97.3	Very high	94.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-46.4	174.9	168	0	0	0	0	110.8	L347 L355 A358 L362 E378 K379 I384 V385 R386	L347-V382 HydrophobicContact CD1-CG2 3.99Å; L355-V382 HydrophobicContact CB-CG1 4.23Å; L355-V382 HydrophobicContact CD2-CG1 4.4Å; L355-V382 VanDerWaalsContact O-CG1 3.29Å; L355-V382 WeakPolarHBondContact O-CG1 3.2Å; A358-V382 HydrophobicContact CB-CG1 4.17Å; A358-V382 HydrophobicContact CB-CG2 4.28Å; L362-V382 HydrophobicContact CD1-CG2 4.01Å; E378-V382 WeakPolarHBondContact O-CG2 3.25Å; E378-V382 PolarHBondContact O-N 2.83Å; K379-V382 PolarHBondContact O-N 3.48Å; V382-I384 PolarHBondContact O-N 2.93Å; V382-V385 PolarHBondContact O-N 3.39Å; V382-R386 HydrophobicContact CG1-CG 4.28Å; V382-R386 VanDerWaalsContact O-CG 3.25Å; V382-R386 WeakPolarHBondContact O-CG 3.46Å; V382-R386 PolarHBondContact O-N 3.18Å
383	D	96.4	Very high	94.3	Very high	20 Å²	20	34.7 Å²	34.7	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-67.1	-32.9	-177.2	-74	-22.3	0	0	0	113.6	S359 K379 L381 R386 H387 L400	S359-D383 WeakPolarHBondContact CB-OD1 3.42Å; S359-D383 PolarHBondContact OG-OD1 3.05Å; K379-D383 IonicContact NZ-OD1 3.12Å; K379-D383 IonicContact NZ-OD2 3.32Å; K379-D383 PolarHBondContact NZ-OD2 3.01Å; K379-D383 WeakPolarHBondContact O-CB 3.46Å; K379-D383 VanDerWaalsContact O-CG 3.26Å; K379-D383 PolarHBondContact O-N 2.89Å; L381-D383 PolarHBondContact O-N 3.43Å; D383-R386 IonicContact OD1-CZ 3.71Å; D383-R386 IonicContact OD1-NH1 2.7Å; D383-R386 PolarHBondContact OD1-NH1 2.95Å; D383-H387 PolarHBondContact O-N 3.47Å; D383-L400 HydrophobicContact CB-CD1 3.83Å; D383-L400 HydrophobicContact CB-CD2 4.27Å
384	I	94.3	Very high	94.2	Very high	5 Å²	5	42 Å²	42	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-75.2	-32	175.2	-162.8	172	0	0	0	112.6	A380 L381 V382 H387 S388 L400 I404 V425 S426	A380-I384 WeakPolarHBondContact O-CG2 3.11Å; A380-I384 PolarHBondContact O-N 2.92Å; L381-I384 HydrophobicContact CD1-CG2 4.45Å; L381-I384 VanDerWaalsContact O-CG2 3.25Å; L381-I384 WeakPolarHBondContact O-CG2 3.38Å; L381-I384 PolarHBondContact O-N 2.9Å; V382-I384 PolarHBondContact O-N 2.93Å; I384-H387 WeakPolarHBondContact O-CB 3.22Å; I384-H387 PolarHBondContact O-N 3.26Å; I384-S388 PolarHBondContact O-N 3.08Å; I384-L400 HydrophobicContact CB-CD2 4.27Å; I384-I404 HydrophobicContact CB-CD1 4.44Å; I384-I404 HydrophobicContact CD1-CD1 3.81Å; I384-V425 HydrophobicContact CB-CG1 4.41Å; I384-V425 HydrophobicContact CD1-CG1 4.26Å; I384-V425 HydrophobicContact CG1-CG1 4.08Å; I384-V425 HydrophobicContact CG2-CB 4.14Å; I384-V425 HydrophobicContact CG2-CG1 3.64Å; I384-S426 VanDerWaalsContact CD1-CA 3.42Å
385	V	94.6	Very high	94.1	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-42.3	170.8	179	0	0	0	0	110.2	L355 L381 V382 H387 S388 Q389 V425 W488 I493	L355-V385 HydrophobicContact CD1-CB 4.12Å; L355-V385 HydrophobicContact CD1-CG1 3.52Å; L381-V385 WeakPolarHBondContact O-CG2 3.33Å; L381-V385 PolarHBondContact O-N 3.26Å; V382-V385 PolarHBondContact O-N 3.39Å; V385-H387 VanDerWaalsContact C-N 3.28Å; V385-H387 PolarHBondContact O-N 3.34Å; V385-S388 PolarHBondContact O-N 3.07Å; V385-S388 PolarHBondContact O-OG 3.47Å; V385-Q389 PolarHBondContact O-N 3.17Å; V385-V425 HydrophobicContact CG2-CG1 4.29Å; V385-W488 HydrophobicContact CB-CH2 4.39Å; V385-W488 HydrophobicContact CG1-CH2 3.77Å; V385-W488 HydrophobicContact CG1-CZ3 4Å; V385-W488 HydrophobicContact CG2-CH2 4Å; V385-W488 HydrophobicContact CG2-CZ3 4.23Å; V385-I493 HydrophobicContact CG1-CD1 4.36Å; V385-I493 HydrophobicContact CG2-CD1 3.9Å
386	R	94.5	Very high	94	Very high	59 Å²	59	53.9 Å²	53.9	22%	0.223	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-41.1	171.9	-71	168.6	68.9	-125.2	-5	111.8	L355 N356 S359 V382 D383 S388 Q389 H390	L355-R386 HydrophobicContact CB-CG 3.63Å; L355-R386 HydrophobicContact CD1-CG 4.35Å; L355-R386 WeakPolarHBondContact O-CD 3.45Å; N356-R386 VanDerWaalsContact OD1-CZ 3.22Å; N356-R386 PolarHBondContact OD1-NE 3.47Å; N356-R386 PolarHBondContact OD1-NH2 3.05Å; S359-R386 PolarHBondContact OG-NH1 3.04Å; V382-R386 HydrophobicContact CG1-CG 4.28Å; V382-R386 VanDerWaalsContact O-CG 3.25Å; V382-R386 WeakPolarHBondContact O-CG 3.46Å; V382-R386 PolarHBondContact O-N 3.18Å; D383-R386 IonicContact OD1-CZ 3.71Å; D383-R386 IonicContact OD1-NH1 2.7Å; D383-R386 PolarHBondContact OD1-NH1 2.95Å; R386-S388 VanDerWaalsContact C-N 3.31Å; R386-S388 PolarHBondContact O-N 3.15Å; R386-Q389 PolarHBondContact O-N 3.34Å; R386-H390 PolarHBondContact O-N 3.46Å
387	H	93.4	Very high	93.8	Very high	21 Å²	21	52.5 Å²	52.5	10%	0.097	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-37.5	174	174	77.7	0	0	0	112.8	D383 I384 V385 Q389 H390 P391 L392 L400	D383-H387 PolarHBondContact O-N 3.47Å; I384-H387 WeakPolarHBondContact O-CB 3.22Å; I384-H387 PolarHBondContact O-N 3.26Å; V385-H387 VanDerWaalsContact C-N 3.28Å; V385-H387 PolarHBondContact O-N 3.34Å; H387-Q389 VanDerWaalsContact C-N 3.34Å; H387-Q389 PolarHBondContact O-N 3.33Å; H387-H390 CarbonylContact O-C 3.56Å; H387-H390 VanDerWaalsContact O-C 3.26Å; H387-P391 WeakPolarHBondContact O-CA 3.43Å; H387-L392 HydrophobicContact CB-CD1 3.98Å; H387-L392 HydrophobicContact CB-CG 3.97Å; H387-L392 WeakPolarHBondContact ND1-CB 3.47Å; H387-L392 PolarHBondContact ND1-N 3.05Å; H387-L392 VanDerWaalsContact ND1-N 3.16Å; H387-L400 HydrophobicContact CB-CD2 4.45Å
388	S	89.9	Confident	93.8	Very high	33 Å²	33	55.1 Å²	55.1	23%	0.231	28%	0.28	C	S	.	.	H	α-helix	trans	-68.7	-28.8	175.8	67.9	0	0	0	0	114.1	I384 V385 R386 I493	I384-S388 PolarHBondContact O-N 3.08Å; V385-S388 PolarHBondContact O-N 3.07Å; V385-S388 PolarHBondContact O-OG 3.47Å; R386-S388 VanDerWaalsContact C-N 3.31Å; R386-S388 PolarHBondContact O-N 3.15Å; S388-I493 WeakPolarHBondContact OG-CA 3.34Å
389	Q	88.3	Confident	93.6	Very high	44 Å²	44	57.9 Å²	57.9	21%	0.206	30%	0.304	C	S	.	.	H	α-helix	trans	-81.5	-42.7	175.2	-66.8	172.1	-17.1	0	0	111.8	G350 V385 R386 H387	G350-Q389 PolarHBondContact O-NE2 2.89Å; V385-Q389 PolarHBondContact O-N 3.17Å; R386-Q389 PolarHBondContact O-N 3.34Å; H387-Q389 VanDerWaalsContact C-N 3.34Å; H387-Q389 PolarHBondContact O-N 3.33Å
390	H	90.4	Very high	93.5	Very high	111 Å²	111	55.9 Å²	55.9	51%	0.514	30%	0.296	S	S	.	.	S	Bend	trans	-135.5	97.7	-178.7	-66.3	-46.7	0	0	0	109.8	D352 R386 H387 L392	D352-H390 IonicContact OD2-NE2 3.9Å; R386-H390 PolarHBondContact O-N 3.46Å; H387-H390 CarbonylContact O-C 3.56Å; H387-H390 VanDerWaalsContact O-C 3.26Å; H390-L392 PolarHBondContact O-N 2.92Å
391	P	90.9	Very high	93.3	Very high	109 Å²	109	57.3 Å²	57.3	71%	0.708	30%	0.303	S	S	*	.			trans	-55.6	112.4	-177.6	-30.5	37.3	0	0	0	113.2	H387	H387-P391 WeakPolarHBondContact O-CA 3.43Å
392	L	90.5	Very high	93.2	Very high	44 Å²	44	61 Å²	61	23%	0.23	33%	0.325	C	S	.	.			trans	-54.8	151.2	168.4	-58.2	177	0	0	0	111.6	H387 H390 Q396 L397 L400	H387-L392 HydrophobicContact CB-CD1 3.98Å; H387-L392 HydrophobicContact CB-CG 3.97Å; H387-L392 WeakPolarHBondContact ND1-CB 3.47Å; H387-L392 PolarHBondContact ND1-N 3.05Å; H387-L392 VanDerWaalsContact ND1-N 3.16Å; H390-L392 PolarHBondContact O-N 2.92Å; L392-Q396 HydrophobicContact CB-CB 3.84Å; L392-Q396 HydrophobicContact CD1-CB 4.41Å; L392-L397 HydrophobicContact CB-CB 4.46Å; L392-L400 HydrophobicContact CD1-CB 4.47Å; L392-L400 HydrophobicContact CD1-CD2 3.74Å
393	D	93.3	Very high	93.1	Very high	81 Å²	81	63.8 Å²	63.8	43%	0.433	34%	0.339	S	S	.	.			trans	-64.9	162.2	172.5	74.9	56.1	0	0	0	112.2	K395 Q396 L397	D393-K395 PolarHBondContact O-N 2.76Å; D393-K395 VanDerWaalsContact O-N 3.15Å; D393-K395 WeakPolarHBondContact OD1-CA 3.28Å; D393-K395 WeakPolarHBondContact OD1-CB 3.38Å; D393-K395 PolarHBondContact OD1-N 2.94Å; D393-Q396 PolarHBondContact O-N 3.04Å; D393-Q396 VanDerWaalsContact O-N 3.14Å; D393-Q396 PolarHBondContact OD1-N 3.48Å; D393-Q396 VanDerWaalsContact OD2-CG 3.31Å; D393-Q396 WeakPolarHBondContact OD2-CG 3.44Å; D393-Q396 PolarHBondContact OD2-NE2 2.75Å; D393-L397 WeakPolarHBondContact O-CB 3.38Å; D393-L397 PolarHBondContact O-N 2.85Å
394	E	92.6	Very high	92.9	Very high	178 Å²	178	63.2 Å²	63.2	83%	0.832	34%	0.336	S	S	*	.	H	α-helix	trans	-54.8	-36.5	-175.6	-173.5	-179.6	-177.2	0	0	113.2	A398	E394-A398 VanDerWaalsContact O-CB 3.28Å; E394-A398 WeakPolarHBondContact O-CB 3.4Å; E394-A398 PolarHBondContact O-N 2.75Å
395	K	95.1	Very high	92.8	Very high	177 Å²	177	67.5 Å²	67.5	77%	0.77	36%	0.358	S	S	*	.	H	α-helix	trans	-75.6	-41.5	-179.6	-178.5	-176.3	176.7	-175.9	0	111.3	D393 A399	D393-K395 PolarHBondContact O-N 2.76Å; D393-K395 VanDerWaalsContact O-N 3.15Å; D393-K395 WeakPolarHBondContact OD1-CA 3.28Å; D393-K395 WeakPolarHBondContact OD1-CB 3.38Å; D393-K395 PolarHBondContact OD1-N 2.94Å; K395-A399 WeakPolarHBondContact O-CB 3.33Å; K395-A399 PolarHBondContact O-N 3.07Å
396	Q	93.2	Very high	92.8	Very high	98 Å²	98	71.2 Å²	71.2	46%	0.458	38%	0.378	S	S	.	.	H	α-helix	trans	-63.9	-42.9	173.7	-71.1	174.4	2.4	0	0	111.4	L392 D393 A399 L400	L392-Q396 HydrophobicContact CB-CB 3.84Å; L392-Q396 HydrophobicContact CD1-CB 4.41Å; D393-Q396 PolarHBondContact O-N 3.04Å; D393-Q396 VanDerWaalsContact O-N 3.14Å; D393-Q396 PolarHBondContact OD1-N 3.48Å; D393-Q396 VanDerWaalsContact OD2-CG 3.31Å; D393-Q396 WeakPolarHBondContact OD2-CG 3.44Å; D393-Q396 PolarHBondContact OD2-NE2 2.75Å; Q396-A399 PolarHBondContact O-N 3.46Å; Q396-L400 WeakPolarHBondContact O-CB 3.43Å; Q396-L400 PolarHBondContact O-N 2.82Å
397	L	92.5	Very high	92.7	Very high	53 Å²	53	68.4 Å²	68.4	28%	0.277	37%	0.368	S	S	.	.	H	α-helix	trans	-65.9	-41.5	176.9	-178.8	58.2	0	0	0	111.7	L392 D393 L400 N401	L392-L397 HydrophobicContact CB-CB 4.46Å; D393-L397 WeakPolarHBondContact O-CB 3.38Å; D393-L397 PolarHBondContact O-N 2.85Å; L397-L400 PolarHBondContact O-N 3.38Å; L397-N401 WeakPolarHBondContact CD1-ND2 3.44Å; L397-N401 PolarHBondContact O-N 2.86Å; L397-N401 PolarHBondContact O-ND2 2.81Å
398	A	93.9	Very high	92.5	Very high	54 Å²	54	68.8 Å²	68.8	45%	0.446	37%	0.372	S	S	.	.	H	α-helix	trans	-60.3	-45.7	173.7	0	0	0	0	0	111.4	E394 L400 N401 T402	E394-A398 VanDerWaalsContact O-CB 3.28Å; E394-A398 WeakPolarHBondContact O-CB 3.4Å; E394-A398 PolarHBondContact O-N 2.75Å; A398-L400 PolarHBondContact O-N 3.36Å; A398-N401 PolarHBondContact O-N 2.82Å; A398-T402 PolarHBondContact O-N 2.85Å; A398-T402 PolarHBondContact O-OG1 2.97Å
399	A	95	Very high	92.6	Very high	62 Å²	62	72 Å²	72	51%	0.512	39%	0.39	S	S	.	.	H	α-helix	trans	-61.6	-42.3	176.2	0	0	0	0	0	112.6	K395 Q396 T402 E403	K395-A399 WeakPolarHBondContact O-CB 3.33Å; K395-A399 PolarHBondContact O-N 3.07Å; Q396-A399 PolarHBondContact O-N 3.46Å; A399-T402 PolarHBondContact O-N 3.01Å; A399-E403 WeakPolarHBondContact O-CB 3.34Å; A399-E403 PolarHBondContact O-N 2.98Å
400	L	93.8	Very high	92.8	Very high	14 Å²	14	72 Å²	72	7%	0.073	39%	0.391	C	S	.	.	H	α-helix	trans	-64.5	-41.3	176.2	179.3	60.1	0	0	0	112.2	D383 I384 H387 L392 Q396 L397 A398 E403 I404	D383-L400 HydrophobicContact CB-CD1 3.83Å; D383-L400 HydrophobicContact CB-CD2 4.27Å; I384-L400 HydrophobicContact CB-CD2 4.27Å; H387-L400 HydrophobicContact CB-CD2 4.45Å; L392-L400 HydrophobicContact CD1-CB 4.47Å; L392-L400 HydrophobicContact CD1-CD2 3.74Å; Q396-L400 WeakPolarHBondContact O-CB 3.43Å; Q396-L400 PolarHBondContact O-N 2.82Å; L397-L400 PolarHBondContact O-N 3.38Å; A398-L400 PolarHBondContact O-N 3.36Å; L400-E403 PolarHBondContact O-N 3.04Å; L400-I404 HydrophobicContact CD1-CD1 4.18Å; L400-I404 HydrophobicContact CD1-CG1 4.44Å; L400-I404 HydrophobicContact CG-CD1 4.03Å; L400-I404 VanDerWaalsContact O-CG1 3.31Å; L400-I404 WeakPolarHBondContact O-CG1 3.47Å; L400-I404 PolarHBondContact O-N 3.13Å
401	N	93	Very high	92.9	Very high	34 Å²	34	71 Å²	71	18%	0.182	40%	0.395	C	S	.	.	H	α-helix	trans	-64.7	-44.8	175.3	-78.2	-83.8	0	0	0	111.5	L397 A398 E403 I404 D405 K430	L397-N401 WeakPolarHBondContact CD1-ND2 3.44Å; L397-N401 PolarHBondContact O-N 2.86Å; L397-N401 PolarHBondContact O-ND2 2.81Å; A398-N401 PolarHBondContact O-N 2.82Å; N401-E403 VanDerWaalsContact C-N 3.28Å; N401-E403 PolarHBondContact O-N 3.48Å; N401-I404 WeakPolarHBondContact O-CB 3.35Å; N401-I404 PolarHBondContact O-N 3.29Å; N401-D405 VanDerWaalsContact O-CG 3.25Å; N401-D405 PolarHBondContact O-N 3.42Å; N401-K430 WeakPolarHBondContact OD1-CE 3.28Å; N401-K430 PolarHBondContact OD1-NZ 3.09Å
402	T	95.1	Very high	92.9	Very high	81 Å²	81	69.8 Å²	69.8	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-60	-38.7	174.7	-61.5	0	0	0	0	112	A398 A399 D405 N406	A398-T402 PolarHBondContact O-N 2.85Å; A398-T402 PolarHBondContact O-OG1 2.97Å; A399-T402 PolarHBondContact O-N 3.01Å; T402-D405 PolarHBondContact O-N 2.83Å; T402-N406 VanDerWaalsContact O-CG 3.22Å; T402-N406 PolarHBondContact O-N 2.73Å; T402-N406 PolarHBondContact O-ND2 3.03Å
403	E	93.7	Very high	93	Very high	60 Å²	60	68 Å²	68	28%	0.28	37%	0.37	S	S	.	.	H	α-helix	trans	-65.6	-42.1	175.8	-179.4	64.6	172.2	0	0	112	R376 A399 L400 N401 N406 I407	R376-E403 IonicContact CZ-OE1 3.83Å; R376-E403 IonicContact CZ-OE2 2.69Å; R376-E403 IonicContact NE-OE1 2.72Å; R376-E403 PolarHBondContact NE-OE1 3.32Å; R376-E403 IonicContact NE-OE2 3.64Å; R376-E403 VanDerWaalsContact NH2-CD 3.29Å; R376-E403 IonicContact NH2-OE1 3.91Å; R376-E403 PolarHBondContact NH2-OE1 3.44Å; R376-E403 VanDerWaalsContact NH2-OE1 3.12Å; R376-E403 IonicContact NH2-OE2 2.7Å; R376-E403 PolarHBondContact NH2-OE2 2.76Å; A399-E403 WeakPolarHBondContact O-CB 3.34Å; A399-E403 PolarHBondContact O-N 2.98Å; L400-E403 PolarHBondContact O-N 3.04Å; N401-E403 VanDerWaalsContact C-N 3.28Å; N401-E403 PolarHBondContact O-N 3.48Å; E403-N406 PolarHBondContact O-N 3.24Å; E403-I407 HydrophobicContact CG-CD1 3.84Å; E403-I407 WeakPolarHBondContact O-CB 3.45Å; E403-I407 WeakPolarHBondContact O-CD1 3.36Å; E403-I407 VanDerWaalsContact O-CG1 3.22Å; E403-I407 WeakPolarHBondContact O-CG1 3.41Å; E403-I407 PolarHBondContact O-N 3.34Å
404	I	92.4	Very high	92.8	Very high	8 Å²	8	68.1 Å²	68.1	4%	0.041	37%	0.371	C	S	.	.	H	α-helix	trans	-60.8	-48.3	173.2	-72.5	163	0	0	0	111	A380 I384 L400 N401 N406 I407 V408 I422	A380-I404 HydrophobicContact CB-CG1 4.34Å; I384-I404 HydrophobicContact CB-CD1 4.44Å; I384-I404 HydrophobicContact CD1-CD1 3.81Å; L400-I404 HydrophobicContact CD1-CD1 4.18Å; L400-I404 HydrophobicContact CD1-CG1 4.44Å; L400-I404 HydrophobicContact CG-CD1 4.03Å; L400-I404 VanDerWaalsContact O-CG1 3.31Å; L400-I404 WeakPolarHBondContact O-CG1 3.47Å; L400-I404 PolarHBondContact O-N 3.13Å; N401-I404 WeakPolarHBondContact O-CB 3.35Å; N401-I404 PolarHBondContact O-N 3.29Å; I404-N406 VanDerWaalsContact C-N 3.28Å; I404-N406 PolarHBondContact O-N 2.82Å; I404-I407 PolarHBondContact O-N 3.05Å; I404-I407 VanDerWaalsContact O-N 3.08Å; I404-V408 HydrophobicContact CG2-CG1 4.15Å; I404-V408 WeakPolarHBondContact O-CG1 3.48Å; I404-V408 WeakPolarHBondContact O-CG2 3.23Å; I404-V408 PolarHBondContact O-N 3.34Å; I404-I422 HydrophobicContact CB-CG2 4.36Å; I404-I422 HydrophobicContact CD1-CG2 4.28Å; I404-I422 HydrophobicContact CG1-CG2 3.96Å; I404-I422 HydrophobicContact CG2-CG2 3.56Å
405	D	93.1	Very high	92.6	Very high	94 Å²	94	64.8 Å²	64.8	50%	0.503	36%	0.358	S	S	.	.	H	α-helix	trans	-59.7	-39.5	-179.8	-67.8	-28.8	0	0	0	111.5	N401 T402 T409	N401-D405 VanDerWaalsContact O-CG 3.25Å; N401-D405 PolarHBondContact O-N 3.42Å; T402-D405 PolarHBondContact O-N 2.83Å; D405-T409 WeakPolarHBondContact O-CG2 3.28Å; D405-T409 PolarHBondContact O-OG1 3.29Å
406	N	93.6	Very high	92.7	Very high	81 Å²	81	56.6 Å²	56.6	43%	0.433	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-48	172	-70.1	-37.2	0	0	0	111.6	T402 E403 I404 T409	T402-N406 VanDerWaalsContact O-CG 3.22Å; T402-N406 PolarHBondContact O-N 2.73Å; T402-N406 PolarHBondContact O-ND2 3.03Å; E403-N406 PolarHBondContact O-N 3.24Å; I404-N406 VanDerWaalsContact C-N 3.28Å; I404-N406 PolarHBondContact O-N 2.82Å; N406-T409 PolarHBondContact O-N 3.46Å; N406-T409 PolarHBondContact O-OG1 2.7Å
407	I	92.5	Very high	92.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-45.7	-176.5	-74.4	166	0	0	0	112	R376 V377 A380 E403 I404 T409 L410 L413 I419	R376-I407 HydrophobicContact CG-CD1 4.03Å; R376-I407 HydrophobicContact CG-CG1 4.4Å; V377-I407 HydrophobicContact CB-CG2 4.2Å; V377-I407 HydrophobicContact CG1-CG2 3.82Å; V377-I407 HydrophobicContact CG2-CG2 3.87Å; A380-I407 HydrophobicContact CB-CD1 3.64Å; E403-I407 HydrophobicContact CG-CD1 3.84Å; E403-I407 WeakPolarHBondContact O-CB 3.45Å; E403-I407 WeakPolarHBondContact O-CD1 3.36Å; E403-I407 VanDerWaalsContact O-CG1 3.22Å; E403-I407 WeakPolarHBondContact O-CG1 3.41Å; E403-I407 PolarHBondContact O-N 3.34Å; I404-I407 PolarHBondContact O-N 3.05Å; I404-I407 VanDerWaalsContact O-N 3.08Å; I407-T409 PolarHBondContact O-N 3.39Å; I407-L410 PolarHBondContact O-N 2.95Å; I407-L410 VanDerWaalsContact O-N 3.15Å; I407-L413 HydrophobicContact CG2-CD1 3.85Å; I407-I419 HydrophobicContact CG2-CD1 3.98Å
408	V	90.5	Very high	93.1	Very high	29 Å²	29	49.8 Å²	49.8	18%	0.176	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-2.3	-174.4	-59.3	0	0	0	0	114.5	I404 I419 I422 K423	I404-V408 HydrophobicContact CG2-CG1 4.15Å; I404-V408 WeakPolarHBondContact O-CG1 3.48Å; I404-V408 WeakPolarHBondContact O-CG2 3.23Å; I404-V408 PolarHBondContact O-N 3.34Å; V408-I419 HydrophobicContact CB-CG2 4.34Å; V408-I419 HydrophobicContact CG1-CD1 4.45Å; V408-I419 HydrophobicContact CG1-CG2 4.28Å; V408-I422 HydrophobicContact CG1-CG2 4.4Å; V408-K423 HydrophobicContact CG1-CG 4.38Å
409	T	91.2	Very high	93.2	Very high	101 Å²	101	47.5 Å²	47.5	62%	0.62	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-5.4	175.6	60.8	0	0	0	0	113.9	D405 N406 I407 P411	D405-T409 WeakPolarHBondContact O-CG2 3.28Å; D405-T409 PolarHBondContact O-OG1 3.29Å; N406-T409 PolarHBondContact O-N 3.46Å; N406-T409 PolarHBondContact O-OG1 2.7Å; I407-T409 PolarHBondContact O-N 3.39Å; T409-P411 WeakPolarHBondContact O-CD 3.39Å
410	L	93	Very high	93.3	Very high	42 Å²	42	47.1 Å²	47.1	22%	0.22	26%	0.256	C	S	.	.			trans	-70.9	116.2	-179.1	-66.9	176.2	0	0	0	111.6	T373 I407 E412 L413	T373-L410 HydrophobicContact CG2-CD1 3.53Å; I407-L410 PolarHBondContact O-N 2.95Å; I407-L410 VanDerWaalsContact O-N 3.15Å; L410-E412 VanDerWaalsContact C-N 3.26Å; L410-E412 PolarHBondContact O-N 3.41Å; L410-L413 HydrophobicContact CB-CD1 3.9Å; L410-L413 HydrophobicContact CB-CG 4.09Å; L410-L413 HydrophobicContact CD1-CD1 4.03Å; L410-L413 PolarHBondContact O-N 2.85Å; L410-L413 VanDerWaalsContact O-N 3.07Å
411	P	92.4	Very high	93.5	Very high	92 Å²	92	46.8 Å²	46.8	60%	0.597	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-62.1	-28.5	-172	-25.1	35.3	0	0	0	114.8	T409 L413 N414	T409-P411 WeakPolarHBondContact O-CD 3.39Å; P411-L413 PolarHBondContact O-N 3.46Å; P411-N414 WeakPolarHBondContact O-CB 3.31Å; P411-N414 PolarHBondContact O-N 3.47Å; P411-N414 PolarHBondContact O-ND2 3.4Å
412	E	91.2	Very high	93.6	Very high	83 Å²	83	45.2 Å²	45.2	39%	0.388	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-66.7	-23.9	178.4	69.7	-85.4	-158.6	0	0	112.9	K328 T373 L410	K328-E412 WeakPolarHBondContact CD-O 3.36Å; K328-E412 VanDerWaalsContact CE-O 3.28Å; K328-E412 WeakPolarHBondContact CE-O 3.41Å; K328-E412 PolarHBondContact NZ-O 2.83Å; T373-E412 HydrophobicContact CG2-CG 4.47Å; T373-E412 WeakPolarHBondContact CG2-OE1 3.28Å; T373-E412 PolarHBondContact OG1-OE1 2.85Å; L410-E412 VanDerWaalsContact C-N 3.26Å; L410-E412 PolarHBondContact O-N 3.41Å
413	L	91.5	Very high	93.6	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-87.6	-5.8	178.8	-56.5	178.9	0	0	0	113.5	T373 V377 I407 L410 P411 L416 I419	T373-L413 HydrophobicContact CG2-CD1 3.81Å; T373-L413 HydrophobicContact CG2-CD2 3.81Å; T373-L413 HydrophobicContact CG2-CG 3.96Å; V377-L413 HydrophobicContact CG2-CD1 3.3Å; V377-L413 HydrophobicContact CG2-CD2 3.71Å; V377-L413 HydrophobicContact CG2-CG 4.14Å; I407-L413 HydrophobicContact CG2-CD1 3.85Å; L410-L413 HydrophobicContact CB-CD1 3.9Å; L410-L413 HydrophobicContact CB-CG 4.09Å; L410-L413 HydrophobicContact CD1-CD1 4.03Å; L410-L413 PolarHBondContact O-N 2.85Å; L410-L413 VanDerWaalsContact O-N 3.07Å; P411-L413 PolarHBondContact O-N 3.46Å; L413-L416 HydrophobicContact CD2-CD1 4.12Å; L413-L416 WeakPolarHBondContact O-CB 3.2Å; L413-L416 PolarHBondContact O-N 2.95Å; L413-I419 HydrophobicContact CB-CD1 3.79Å; L413-I419 HydrophobicContact CB-CG1 3.84Å; L413-I419 HydrophobicContact CD1-CD1 3.73Å; L413-I419 HydrophobicContact CG-CD1 4.43Å
414	N	89.5	Confident	93.7	Very high	85 Å²	85	42.3 Å²	42.3	46%	0.455	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	142.3	174.9	-72.4	-24.2	0	0	0	110.9	K328 P411 L416	K328-N414 PolarHBondContact NZ-O 3.13Å; P411-N414 WeakPolarHBondContact O-CB 3.31Å; P411-N414 PolarHBondContact O-N 3.47Å; P411-N414 PolarHBondContact O-ND2 3.4Å; N414-L416 VanDerWaalsContact C-N 3.29Å; N414-L416 PolarHBondContact O-N 2.96Å
415	N	89.2	Confident	93.9	Very high	107 Å²	107	42 Å²	42	57%	0.572	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	21.4	-176.3	-48.9	-35.8	0	0	0	115.4	L446	N415-L446 HydrophobicContact CB-CD2 4.3Å
416	L	96.2	Very high	94	Very high	5 Å²	5	38 Å²	38	3%	0.026	20%	0.203	C	C	.	.			trans	-102.4	134.4	167.6	-59.3	-177.9	0	0	0	111.2	T325 K328 I329 Y374 L413 N414 I418 I419 Y420	T325-L416 HydrophobicContact CG2-CD2 4.08Å; K328-L416 HydrophobicContact CB-CD1 4.09Å; K328-L416 HydrophobicContact CB-CD2 4.39Å; K328-L416 HydrophobicContact CD-CD1 4.14Å; K328-L416 HydrophobicContact CD-CD2 4.06Å; K328-L416 HydrophobicContact CD-CG 4.31Å; I329-L416 HydrophobicContact CG2-CD1 4.49Å; I329-L416 HydrophobicContact CG2-CD2 4.23Å; Y374-L416 HydrophobicContact CD2-CD1 4.18Å; L413-L416 HydrophobicContact CD2-CD1 4.12Å; L413-L416 WeakPolarHBondContact O-CB 3.2Å; L413-L416 PolarHBondContact O-N 2.95Å; N414-L416 VanDerWaalsContact C-N 3.29Å; N414-L416 PolarHBondContact O-N 2.96Å; L416-I418 HydrophobicContact CB-CG2 4.09Å; L416-I418 PolarHBondContact O-N 2.99Å; L416-I419 PolarHBondContact O-N 2.92Å; L416-Y420 WeakPolarHBondContact O-CD2 3.49Å
417	S	97.3	Very high	94.1	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.035	18%	0.184	C	C	.	.	H	α-helix	trans	-57	-36.4	-179.2	-174.9	0	0	0	0	112.9	I419 Y420 Q421 G443 N452	S417-I419 PolarHBondContact O-N 2.94Å; S417-I419 VanDerWaalsContact O-N 3.12Å; S417-Y420 CarbonylContact O-C 3.59Å; S417-Y420 WeakPolarHBondContact O-CA 3.42Å; S417-Y420 WeakPolarHBondContact O-CB 3.06Å; S417-Y420 PolarHBondContact O-N 2.63Å; S417-Q421 PolarHBondContact O-N 2.69Å; S417-G443 WeakPolarHBondContact OG-CA 3.45Å; S417-G443 PolarHBondContact OG-O 3.29Å; S417-N452 PolarHBondContact OG-ND2 3.41Å
418	I	96.4	Very high	94.2	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	19%	0.185	C	C	.	.	H	α-helix	trans	-57.8	-29.6	-177.2	-161.5	169.4	0	0	0	114.8	Y374 V377 E378 L381 L416 Y420 Q421 I422	Y374-I418 HydrophobicContact CD2-CG2 4.11Å; Y374-I418 HydrophobicContact CE1-CD1 4.4Å; Y374-I418 HydrophobicContact CE2-CB 4.2Å; Y374-I418 HydrophobicContact CE2-CD1 3.85Å; Y374-I418 HydrophobicContact CE2-CG2 3.67Å; V377-I418 HydrophobicContact CB-CD1 4.26Å; V377-I418 HydrophobicContact CB-CG2 4.34Å; V377-I418 HydrophobicContact CG1-CB 4.35Å; V377-I418 HydrophobicContact CG1-CD1 4.13Å; V377-I418 HydrophobicContact CG1-CG1 3.92Å; V377-I418 HydrophobicContact CG1-CG2 3.71Å; E378-I418 HydrophobicContact CB-CD1 3.84Å; E378-I418 HydrophobicContact CG-CD1 4.28Å; L381-I418 HydrophobicContact CD2-CD1 4.38Å; L381-I418 HydrophobicContact CD2-CG1 4.03Å; L416-I418 HydrophobicContact CB-CG2 4.09Å; L416-I418 PolarHBondContact O-N 2.99Å; I418-Y420 VanDerWaalsContact C-N 3.28Å; I418-Y420 PolarHBondContact O-N 2.61Å; I418-Q421 PolarHBondContact O-N 2.92Å; I418-I422 WeakPolarHBondContact O-CG1 3.46Å; I418-I422 PolarHBondContact O-N 2.89Å
419	I	96.2	Very high	94.3	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-35.9	173.3	-67.9	-64.7	0	0	0	111.1	V377 I407 V408 L413 L416 S417 K423	V377-I419 HydrophobicContact CG1-CD1 4.02Å; I407-I419 HydrophobicContact CG2-CD1 3.98Å; V408-I419 HydrophobicContact CB-CG2 4.34Å; V408-I419 HydrophobicContact CG1-CD1 4.45Å; V408-I419 HydrophobicContact CG1-CG2 4.28Å; L413-I419 HydrophobicContact CB-CD1 3.79Å; L413-I419 HydrophobicContact CB-CG1 3.84Å; L413-I419 HydrophobicContact CD1-CD1 3.73Å; L413-I419 HydrophobicContact CG-CD1 4.43Å; L416-I419 PolarHBondContact O-N 2.92Å; S417-I419 PolarHBondContact O-N 2.94Å; S417-I419 VanDerWaalsContact O-N 3.12Å; I419-K423 HydrophobicContact CG2-CD 4.35Å; I419-K423 VanDerWaalsContact O-CG 3.32Å; I419-K423 WeakPolarHBondContact O-CG 3.48Å; I419-K423 PolarHBondContact O-N 3.32Å; I419-K423 VanDerWaalsContact O-N 3.13Å
420	Y	97	Very high	94.4	Very high	54 Å²	54	35.8 Å²	35.8	21%	0.212	18%	0.184	C	C	.	.	H	α-helix	trans	-82.3	-31.3	179.6	-63.4	-89.1	0	0	0	111.9	L416 S417 I418 K423 A424 A439 T442 L446	L416-Y420 WeakPolarHBondContact O-CD2 3.49Å; S417-Y420 CarbonylContact O-C 3.59Å; S417-Y420 WeakPolarHBondContact O-CA 3.42Å; S417-Y420 WeakPolarHBondContact O-CB 3.06Å; S417-Y420 PolarHBondContact O-N 2.63Å; I418-Y420 VanDerWaalsContact C-N 3.28Å; I418-Y420 PolarHBondContact O-N 2.61Å; Y420-K423 PolarHBondContact O-N 3.32Å; Y420-A424 VanDerWaalsContact O-CB 3.26Å; Y420-A424 WeakPolarHBondContact O-CB 3.44Å; Y420-A424 PolarHBondContact O-N 3.5Å; Y420-A439 WeakPolarHBondContact CB-O 3.26Å; Y420-T442 HydrophobicContact CD1-CG2 3.69Å; Y420-T442 HydrophobicContact CD2-CG2 4.41Å; Y420-T442 HydrophobicContact CE1-CG2 3.34Å; Y420-T442 HydrophobicContact CE2-CG2 4.15Å; Y420-T442 HydrophobicContact CG-CG2 4.2Å; Y420-L446 HydrophobicContact CD2-CD1 3.45Å; Y420-L446 VanDerWaalsContact CD2-CD1 3.45Å; Y420-L446 HydrophobicContact CE2-CD1 3.31Å; Y420-L446 HydrophobicContact CG-CD1 4.47Å
421	Q	97.4	Very high	94.4	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-49.3	166.4	-69.2	168.1	-9.1	0	0	111	L381 S417 I418 K423 A424 V425 E447 N452 L455	L381-Q421 HydrophobicContact CD1-CB 4.12Å; L381-Q421 HydrophobicContact CD2-CB 4.15Å; S417-Q421 PolarHBondContact O-N 2.69Å; I418-Q421 PolarHBondContact O-N 2.92Å; Q421-K423 PolarHBondContact O-N 2.96Å; Q421-A424 PolarHBondContact O-N 3.12Å; Q421-V425 WeakPolarHBondContact O-CG2 3.39Å; Q421-V425 PolarHBondContact O-N 3.05Å; Q421-E447 PolarHBondContact NE2-OE1 3.38Å; Q421-N452 WeakPolarHBondContact CG-OD1 3.44Å; Q421-N452 PolarHBondContact NE2-OD1 2.92Å; Q421-L455 HydrophobicContact CB-CD1 4.25Å; Q421-L455 HydrophobicContact CG-CD1 4.19Å
422	I	95.7	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-45.6	176.2	-70.5	172.8	0	0	0	111.6	V377 A380 L381 I404 V408 I418 A424 V425 S426	V377-I422 HydrophobicContact CG1-CD1 3.39Å; V377-I422 WeakPolarHBondContact O-CD1 3.49Å; A380-I422 HydrophobicContact CB-CD1 4.11Å; L381-I422 HydrophobicContact CB-CD1 4.35Å; L381-I422 HydrophobicContact CB-CG1 3.86Å; L381-I422 HydrophobicContact CD1-CG1 4.13Å; I404-I422 HydrophobicContact CB-CG2 4.36Å; I404-I422 HydrophobicContact CD1-CG2 4.28Å; I404-I422 HydrophobicContact CG1-CG2 3.96Å; I404-I422 HydrophobicContact CG2-CG2 3.56Å; V408-I422 HydrophobicContact CG1-CG2 4.4Å; I418-I422 WeakPolarHBondContact O-CG1 3.46Å; I418-I422 PolarHBondContact O-N 2.89Å; I422-A424 PolarHBondContact O-N 2.94Å; I422-V425 PolarHBondContact O-N 2.69Å; I422-S426 VanDerWaalsContact O-CB 3.23Å; I422-S426 WeakPolarHBondContact O-CB 3.5Å; I422-S426 PolarHBondContact O-N 2.88Å
423	K	95.3	Very high	94.9	Very high	81 Å²	81	33.5 Å²	33.5	35%	0.352	18%	0.179	S	C	.	.	H	α-helix	trans	-60.8	-43.9	177	-74.7	172	-176.9	176.6	0	111.7	V408 I419 Y420 Q421 A427 A439	V408-K423 HydrophobicContact CG1-CG 4.38Å; I419-K423 HydrophobicContact CG2-CD 4.35Å; I419-K423 VanDerWaalsContact O-CG 3.32Å; I419-K423 WeakPolarHBondContact O-CG 3.48Å; I419-K423 PolarHBondContact O-N 3.32Å; I419-K423 VanDerWaalsContact O-N 3.13Å; Y420-K423 PolarHBondContact O-N 3.32Å; Q421-K423 PolarHBondContact O-N 2.96Å; K423-A427 VanDerWaalsContact O-CB 3.24Å; K423-A427 WeakPolarHBondContact O-CB 3.49Å; K423-A427 PolarHBondContact O-N 3.27Å; K423-A439 HydrophobicContact CB-CB 3.79Å
424	A	97	Very high	95.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-51.5	177	0	0	0	0	0	111.8	Y420 Q421 I422 S426 A427 L428 S436 A439 I440	Y420-A424 VanDerWaalsContact O-CB 3.26Å; Y420-A424 WeakPolarHBondContact O-CB 3.44Å; Y420-A424 PolarHBondContact O-N 3.5Å; Q421-A424 PolarHBondContact O-N 3.12Å; I422-A424 PolarHBondContact O-N 2.94Å; A424-S426 VanDerWaalsContact C-N 3.35Å; A424-S426 PolarHBondContact O-N 3.01Å; A424-A427 PolarHBondContact O-N 2.73Å; A424-L428 WeakPolarHBondContact O-CG 3.36Å; A424-L428 PolarHBondContact O-N 3.18Å; A424-S436 WeakPolarHBondContact CA-OG 3.34Å; A424-S436 PolarHBondContact O-OG 3.12Å; A424-A439 HydrophobicContact CB-CB 4.1Å; A424-I440 HydrophobicContact CB-CB 3.93Å; A424-I440 HydrophobicContact CB-CD1 4.3Å
425	V	96.3	Very high	95.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-40.8	178.6	178	0	0	0	0	111.6	L381 I384 V385 Q421 I422 A427 L428 V429 L455 I493	L381-V425 HydrophobicContact CD1-CG2 4.11Å; I384-V425 HydrophobicContact CB-CG1 4.41Å; I384-V425 HydrophobicContact CD1-CG1 4.26Å; I384-V425 HydrophobicContact CG1-CG1 4.08Å; I384-V425 HydrophobicContact CG2-CB 4.14Å; I384-V425 HydrophobicContact CG2-CG1 3.64Å; V385-V425 HydrophobicContact CG2-CG1 4.29Å; Q421-V425 WeakPolarHBondContact O-CG2 3.39Å; Q421-V425 PolarHBondContact O-N 3.05Å; I422-V425 PolarHBondContact O-N 2.69Å; V425-A427 VanDerWaalsContact C-N 3.33Å; V425-A427 PolarHBondContact O-N 2.84Å; V425-L428 PolarHBondContact O-N 3.05Å; V425-V429 HydrophobicContact CG1-CG2 4.35Å; V425-V429 WeakPolarHBondContact O-CG2 3.35Å; V425-V429 PolarHBondContact O-N 3.21Å; V425-L455 HydrophobicContact CG2-CD1 4Å; V425-L455 HydrophobicContact CG2-CD2 3.6Å; V425-L455 HydrophobicContact CG2-CG 4.48Å; V425-I493 HydrophobicContact CB-CD1 4.48Å; V425-I493 HydrophobicContact CG1-CD1 3.59Å; V425-I493 HydrophobicContact CG2-CD1 4.09Å
426	S	94.1	Very high	96	Very high	10 Å²	10	34.3 Å²	34.3	7%	0.07	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-38.9	176.9	-160.9	0	0	0	0	112.2	I384 I422 A424 K430	I384-S426 VanDerWaalsContact CD1-CA 3.42Å; I422-S426 VanDerWaalsContact O-CB 3.23Å; I422-S426 WeakPolarHBondContact O-CB 3.5Å; I422-S426 PolarHBondContact O-N 2.88Å; A424-S426 VanDerWaalsContact C-N 3.35Å; A424-S426 PolarHBondContact O-N 3.01Å; S426-K430 WeakPolarHBondContact O-CB 3.26Å; S426-K430 VanDerWaalsContact O-CD 3.29Å; S426-K430 WeakPolarHBondContact O-CD 3.47Å; S426-K430 WeakPolarHBondContact O-CG 3.45Å; S426-K430 PolarHBondContact O-N 3.34Å; S426-K430 VanDerWaalsContact O-N 3.16Å; S426-K430 PolarHBondContact OG-NZ 2.95Å
427	A	95.6	Very high	96.1	Very high	4 Å²	4	38 Å²	38	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-69.3	-41.5	175	0	0	0	0	0	112.2	K423 A424 V425 K430 G431 K432 E435	K423-A427 VanDerWaalsContact O-CB 3.24Å; K423-A427 WeakPolarHBondContact O-CB 3.49Å; K423-A427 PolarHBondContact O-N 3.27Å; A424-A427 PolarHBondContact O-N 2.73Å; V425-A427 VanDerWaalsContact C-N 3.33Å; V425-A427 PolarHBondContact O-N 2.84Å; A427-K430 CarbonylContact O-C 3.34Å; A427-K430 PolarHBondContact O-N 3.23Å; A427-G431 PolarHBondContact O-N 2.95Å; A427-G431 VanDerWaalsContact O-N 3.09Å; A427-K432 HydrophobicContact CB-CB 4.16Å; A427-K432 PolarHBondContact O-N 3.28Å; A427-E435 HydrophobicContact CB-CB 3.96Å
428	L	95.6	Very high	96.1	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-50.5	172.6	-76.8	171.7	0	0	0	112	A424 V425 K430 G431 S436 L455 K458 V459 M462 I493	A424-L428 WeakPolarHBondContact O-CG 3.36Å; A424-L428 PolarHBondContact O-N 3.18Å; V425-L428 PolarHBondContact O-N 3.05Å; L428-K430 PolarHBondContact O-N 2.64Å; L428-G431 PolarHBondContact O-N 2.86Å; L428-S436 WeakPolarHBondContact CG-OG 3.29Å; L428-L455 HydrophobicContact CD1-CD2 4.48Å; L428-K458 HydrophobicContact CD1-CB 3.95Å; L428-V459 HydrophobicContact CD1-CG2 4.33Å; L428-V459 HydrophobicContact CD2-CG2 3.82Å; L428-V459 HydrophobicContact CG-CG2 4.19Å; L428-M462 HydrophobicContact CB-CE 4.41Å; L428-M462 HydrophobicContact CD2-CB 4.41Å; L428-M462 HydrophobicContact CD2-CE 3.91Å; L428-M462 HydrophobicContact CD2-SD 3.92Å; L428-M462 WeakPolarHBondContact O-CE 3.34Å; L428-I493 HydrophobicContact CB-CG2 4.06Å; L428-I493 HydrophobicContact CD1-CG1 4.31Å; L428-I493 HydrophobicContact CD1-CG2 4.4Å
429	V	92.6	Very high	96.1	Very high	55 Å²	55	45 Å²	45	33%	0.333	23%	0.227	S	C	.	.	H	α-helix	trans	-59.3	-30.6	177.9	169.8	0	0	0	0	111.6	V425 I493	V425-V429 HydrophobicContact CG1-CG2 4.35Å; V425-V429 WeakPolarHBondContact O-CG2 3.35Å; V425-V429 PolarHBondContact O-N 3.21Å; V429-I493 HydrophobicContact CG2-CG2 4.37Å
430	K	92	Very high	96.3	Very high	103 Å²	103	44.7 Å²	44.7	45%	0.448	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	3.5	176.4	-67.5	165.4	-175.2	160.9	0	113.8	N401 S426 A427 L428 K432	N401-K430 WeakPolarHBondContact OD1-CE 3.28Å; N401-K430 PolarHBondContact OD1-NZ 3.09Å; S426-K430 WeakPolarHBondContact O-CB 3.26Å; S426-K430 VanDerWaalsContact O-CD 3.29Å; S426-K430 WeakPolarHBondContact O-CD 3.47Å; S426-K430 WeakPolarHBondContact O-CG 3.45Å; S426-K430 PolarHBondContact O-N 3.34Å; S426-K430 VanDerWaalsContact O-N 3.16Å; S426-K430 PolarHBondContact OG-NZ 2.95Å; A427-K430 CarbonylContact O-C 3.34Å; A427-K430 PolarHBondContact O-N 3.23Å; L428-K430 PolarHBondContact O-N 2.64Å; K430-K432 HydrophobicContact CB-CD 4.48Å; K430-K432 HydrophobicContact CB-CG 4.06Å; K430-K432 PolarHBondContact O-N 3.34Å
431	G	94.4	Very high	96.3	Very high	50 Å²	50	44.4 Å²	44.4	52%	0.515	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	15.8	-178	0	0	0	0	0	115	A427 L428 T433	A427-G431 PolarHBondContact O-N 2.95Å; A427-G431 VanDerWaalsContact O-N 3.09Å; L428-G431 PolarHBondContact O-N 2.86Å; G431-T433 PolarHBondContact O-N 3.36Å
432	K	96.7	Very high	96.3	Very high	89 Å²	89	46.1 Å²	46.1	39%	0.387	24%	0.239	S	C	.	.			trans	-94.9	79.4	-173.6	-63.1	-167	-179.3	-172.1	0	111.9	A427 K430 D434 E435 S436	A427-K432 HydrophobicContact CB-CB 4.16Å; A427-K432 PolarHBondContact O-N 3.28Å; K430-K432 HydrophobicContact CB-CD 4.48Å; K430-K432 HydrophobicContact CB-CG 4.06Å; K430-K432 PolarHBondContact O-N 3.34Å; K432-D434 PolarHBondContact O-N 2.91Å; K432-E435 HydrophobicContact CB-CB 4.23Å; K432-E435 HydrophobicContact CD-CG 4.31Å; K432-E435 WeakPolarHBondContact CD-OE1 3.37Å; K432-E435 WeakPolarHBondContact CD-OE2 3.16Å; K432-E435 IonicContact NZ-OE1 3.59Å; K432-E435 PolarHBondContact NZ-OE1 3.37Å; K432-E435 IonicContact NZ-OE2 3.32Å; K432-E435 PolarHBondContact NZ-OE2 3.12Å; K432-S436 PolarHBondContact O-N 3.03Å; K432-S436 VanDerWaalsContact O-N 3.1Å
433	T	96.7	Very high	96.4	Very high	30 Å²	30	46.1 Å²	46.1	18%	0.184	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-40.1	-172	53	0	0	0	0	114.8	G431 S436 Y437 M462 K463	G431-T433 PolarHBondContact O-N 3.36Å; T433-S436 PolarHBondContact O-N 3Å; T433-Y437 VanDerWaalsContact O-CB 3.29Å; T433-Y437 WeakPolarHBondContact O-CB 3.2Å; T433-Y437 PolarHBondContact O-N 3.2Å; T433-M462 HydrophobicContact CG2-CB 3.88Å; T433-M462 HydrophobicContact CG2-CG 3.48Å; T433-M462 VanDerWaalsContact CG2-CG 3.48Å; T433-M462 HydrophobicContact CG2-SD 3.78Å; T433-K463 HydrophobicContact CG2-CG 3.81Å
434	D	97.4	Very high	96.6	Very high	106 Å²	106	43.5 Å²	43.5	57%	0.567	23%	0.228	S	C	*	.	H	α-helix	trans	-73	-41.4	-178.1	-69.1	-41.8	0	0	0	113.3	K432 S436 Y437 Q438 K463	K432-D434 PolarHBondContact O-N 2.91Å; D434-S436 VanDerWaalsContact C-N 3.26Å; D434-S436 PolarHBondContact O-N 2.88Å; D434-Y437 PolarHBondContact O-N 3.12Å; D434-Q438 PolarHBondContact O-N 3.46Å; D434-K463 VanDerWaalsContact OD1-CE 3.29Å; D434-K463 WeakPolarHBondContact OD1-CE 3.41Å; D434-K463 IonicContact OD1-NZ 3.53Å; D434-K463 PolarHBondContact OD1-NZ 2.92Å
435	E	97.6	Very high	96.5	Very high	107 Å²	107	49.2 Å²	49.2	50%	0.5	26%	0.259	S	S	.	.	H	α-helix	trans	-58.5	-42.4	171.3	-74.6	-179.5	-155	0	0	110.4	A427 K432 A439	A427-E435 HydrophobicContact CB-CB 3.96Å; K432-E435 HydrophobicContact CB-CB 4.23Å; K432-E435 HydrophobicContact CD-CG 4.31Å; K432-E435 WeakPolarHBondContact CD-OE1 3.37Å; K432-E435 WeakPolarHBondContact CD-OE2 3.16Å; K432-E435 IonicContact NZ-OE1 3.59Å; K432-E435 PolarHBondContact NZ-OE1 3.37Å; K432-E435 IonicContact NZ-OE2 3.32Å; K432-E435 PolarHBondContact NZ-OE2 3.12Å; E435-A439 WeakPolarHBondContact O-CB 3.16Å; E435-A439 PolarHBondContact O-N 3.42Å; E435-A439 VanDerWaalsContact O-N 3.1Å
436	S	97.7	Very high	96.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-41.3	177.6	-166.9	0	0	0	0	112.9	A424 L428 K432 T433 D434 A439 I440 V459	A424-S436 WeakPolarHBondContact CA-OG 3.34Å; A424-S436 PolarHBondContact O-OG 3.12Å; L428-S436 WeakPolarHBondContact CG-OG 3.29Å; K432-S436 PolarHBondContact O-N 3.03Å; K432-S436 VanDerWaalsContact O-N 3.1Å; T433-S436 PolarHBondContact O-N 3Å; D434-S436 VanDerWaalsContact C-N 3.26Å; D434-S436 PolarHBondContact O-N 2.88Å; S436-A439 PolarHBondContact O-N 3.46Å; S436-I440 WeakPolarHBondContact O-CG2 3.2Å; S436-I440 PolarHBondContact O-N 3.39Å; S436-V459 WeakPolarHBondContact OG-CG2 3.32Å
437	Y	98.3	Very high	96.8	Very high	83 Å²	83	51.4 Å²	51.4	33%	0.325	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-45.7	178.9	-177.3	-103.5	0	0	0	111.6	T433 D434 N441 L456 V459 Y460	T433-Y437 VanDerWaalsContact O-CB 3.29Å; T433-Y437 WeakPolarHBondContact O-CB 3.2Å; T433-Y437 PolarHBondContact O-N 3.2Å; D434-Y437 PolarHBondContact O-N 3.12Å; Y437-N441 WeakPolarHBondContact CD2-ND2 3.44Å; Y437-N441 VanDerWaalsContact CE2-ND2 3.26Å; Y437-N441 WeakPolarHBondContact CE2-ND2 3.22Å; Y437-N441 VanDerWaalsContact CZ-ND2 3.3Å; Y437-N441 PolarHBondContact O-N 2.85Å; Y437-N441 PolarHBondContact O-ND2 2.82Å; Y437-L456 HydrophobicContact CD2-CD1 4.22Å; Y437-L456 HydrophobicContact CE2-CD1 4.13Å; Y437-V459 HydrophobicContact CD2-CG1 3.91Å; Y437-V459 HydrophobicContact CG-CG1 4.32Å; Y437-Y460 HydrophobicContact CD2-CE1 4.34Å; Y437-Y460 AromaticContact CE2-CE1 3.66Å; Y437-Y460 HydrophobicContact CE2-CE1 3.66Å; Y437-Y460 AromaticContact CE2-CZ 3.86Å
438	Q	98	Very high	96.9	Very high	145 Å²	145	51.7 Å²	51.7	68%	0.678	27%	0.269	S	S	*	.	H	α-helix	trans	-63.4	-43.7	176.3	-175	179.1	-1.2	0	0	111.5	D434 T442	D434-Q438 PolarHBondContact O-N 3.46Å; Q438-T442 PolarHBondContact O-N 3.38Å; Q438-T442 PolarHBondContact O-OG1 2.86Å
439	A	97.6	Very high	97	Very high	9 Å²	9	51.8 Å²	51.8	7%	0.074	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-54.6	178.1	0	0	0	0	0	111.4	Y420 K423 A424 E435 S436 N441 T442 G443	Y420-A439 WeakPolarHBondContact CB-O 3.26Å; K423-A439 HydrophobicContact CB-CB 3.79Å; A424-A439 HydrophobicContact CB-CB 4.1Å; E435-A439 WeakPolarHBondContact O-CB 3.16Å; E435-A439 PolarHBondContact O-N 3.42Å; E435-A439 VanDerWaalsContact O-N 3.1Å; S436-A439 PolarHBondContact O-N 3.46Å; A439-N441 PolarHBondContact O-N 3.44Å; A439-T442 WeakPolarHBondContact O-CB 3.45Å; A439-T442 PolarHBondContact O-N 3.34Å; A439-T442 VanDerWaalsContact O-N 3.09Å; A439-G443 PolarHBondContact O-N 2.85Å
440	I	98.4	Very high	97.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.6	-34.7	-171.9	-163.8	55.6	0	0	0	113.4	A424 S436 T442 G443 I444 N452 L455 L456 V459	A424-I440 HydrophobicContact CB-CB 3.93Å; A424-I440 HydrophobicContact CB-CD1 4.3Å; S436-I440 WeakPolarHBondContact O-CG2 3.2Å; S436-I440 PolarHBondContact O-N 3.39Å; I440-T442 VanDerWaalsContact C-N 3.31Å; I440-T442 PolarHBondContact O-N 3.26Å; I440-G443 CarbonylContact O-C 3.44Å; I440-G443 WeakPolarHBondContact O-CA 3.36Å; I440-G443 PolarHBondContact O-N 2.89Å; I440-I444 WeakPolarHBondContact O-CG1 3.48Å; I440-I444 PolarHBondContact O-N 3.49Å; I440-N452 HydrophobicContact CD1-CB 4.17Å; I440-N452 WeakPolarHBondContact CG1-O 3.45Å; I440-L455 HydrophobicContact CD1-CB 3.65Å; I440-L455 HydrophobicContact CD1-CD1 3.93Å; I440-L455 HydrophobicContact CD1-CG 4.45Å; I440-L455 HydrophobicContact CG1-CB 3.87Å; I440-L456 HydrophobicContact CG1-CB 4.22Å; I440-L456 HydrophobicContact CG2-CB 4.24Å; I440-L456 HydrophobicContact CG2-CD1 3.84Å; I440-V459 HydrophobicContact CG2-CG2 4.2Å
441	N	97.9	Very high	97.6	Very high	49 Å²	49	45.3 Å²	45.3	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-40.6	172.8	-78.5	-73.2	0	0	0	111.5	Y437 A439 G443 I444 D445	Y437-N441 WeakPolarHBondContact CD2-ND2 3.44Å; Y437-N441 VanDerWaalsContact CE2-ND2 3.26Å; Y437-N441 WeakPolarHBondContact CE2-ND2 3.22Å; Y437-N441 VanDerWaalsContact CZ-ND2 3.3Å; Y437-N441 PolarHBondContact O-N 2.85Å; Y437-N441 PolarHBondContact O-ND2 2.82Å; A439-N441 PolarHBondContact O-N 3.44Å; N441-G443 VanDerWaalsContact C-N 3.28Å; N441-G443 PolarHBondContact O-N 3.32Å; N441-I444 PolarHBondContact O-N 2.87Å; N441-D445 PolarHBondContact O-N 3.39Å
442	T	97.7	Very high	97.8	Very high	43 Å²	43	42.9 Å²	42.9	26%	0.264	21%	0.213	S	C	.	.	H	α-helix	trans	-66.9	-31.8	173.3	-49.3	0	0	0	0	111.5	Y420 Q438 A439 I440 L446	Y420-T442 HydrophobicContact CD1-CG2 3.69Å; Y420-T442 HydrophobicContact CD2-CG2 4.41Å; Y420-T442 HydrophobicContact CE1-CG2 3.34Å; Y420-T442 HydrophobicContact CE2-CG2 4.15Å; Y420-T442 HydrophobicContact CG-CG2 4.2Å; Q438-T442 PolarHBondContact O-N 3.38Å; Q438-T442 PolarHBondContact O-OG1 2.86Å; A439-T442 WeakPolarHBondContact O-CB 3.45Å; A439-T442 PolarHBondContact O-N 3.34Å; A439-T442 VanDerWaalsContact O-N 3.09Å; I440-T442 VanDerWaalsContact C-N 3.31Å; I440-T442 PolarHBondContact O-N 3.26Å; T442-L446 HydrophobicContact CG2-CD1 4.46Å; T442-L446 WeakPolarHBondContact O-CB 3.24Å; T442-L446 VanDerWaalsContact O-CG 3.25Å; T442-L446 WeakPolarHBondContact O-CG 3.17Å; T442-L446 PolarHBondContact O-N 2.89Å; T442-L446 VanDerWaalsContact O-N 3.15Å
443	G	97.9	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-40.5	170.8	0	0	0	0	0	113.2	S417 A439 I440 N441 L446 E447 N452	S417-G443 WeakPolarHBondContact OG-CA 3.45Å; S417-G443 PolarHBondContact OG-O 3.29Å; A439-G443 PolarHBondContact O-N 2.85Å; I440-G443 CarbonylContact O-C 3.44Å; I440-G443 WeakPolarHBondContact O-CA 3.36Å; I440-G443 PolarHBondContact O-N 2.89Å; N441-G443 VanDerWaalsContact C-N 3.28Å; N441-G443 PolarHBondContact O-N 3.32Å; G443-L446 CarbonylContact O-C 3.43Å; G443-L446 PolarHBondContact O-N 3.13Å; G443-E447 PolarHBondContact O-N 3.22Å; G443-N452 PolarHBondContact O-ND2 2.85Å
444	I	98.1	Very high	98	Very high	26 Å²	26	39 Å²	39	13%	0.133	19%	0.193	C	C	.	.	H	α-helix	trans	-69.6	-41.9	177.2	-67.7	166.5	0	0	0	111.5	I440 N441 L446 E447 N452 Y453 L456	I440-I444 WeakPolarHBondContact O-CG1 3.48Å; I440-I444 PolarHBondContact O-N 3.49Å; N441-I444 PolarHBondContact O-N 2.87Å; I444-L446 PolarHBondContact O-N 3.37Å; I444-E447 WeakPolarHBondContact CA-O 2.96Å; I444-E447 CarbonylContact O-C 3.5Å; I444-E447 PolarHBondContact O-N 2.79Å; I444-N452 HydrophobicContact CG1-CB 3.74Å; I444-Y453 HydrophobicContact CD1-CE1 4.44Å; I444-Y453 HydrophobicContact CG2-CE2 4.35Å; I444-L456 HydrophobicContact CD1-CB 4.08Å; I444-L456 HydrophobicContact CD1-CD2 3.65Å; I444-L456 HydrophobicContact CD1-CG 4.4Å
445	D	96.4	Very high	98	Very high	121 Å²	121	34 Å²	34	65%	0.647	17%	0.166	S	C	*	.	H	α-helix	trans	-60.4	-24.3	171.2	-71.3	-24.3	0	0	0	112.4	R321 N441	R321-D445 PolarHBondContact NH2-O 2.87Å; N441-D445 PolarHBondContact O-N 3.39Å
446	L	97.4	Very high	98.1	Very high	20 Å²	20	29.4 Å²	29.4	11%	0.105	15%	0.145	C	C	.	.	H	α-helix	trans	-88	-35.3	177	-71.7	176.6	0	0	0	113.6	T233 R321 N415 Y420 T442 G443 I444	T233-L446 WeakPolarHBondContact CG2-O 3.39Å; R321-L446 PolarHBondContact NH2-O 2.63Å; N415-L446 HydrophobicContact CB-CD2 4.3Å; Y420-L446 HydrophobicContact CD2-CD1 3.45Å; Y420-L446 VanDerWaalsContact CD2-CD1 3.45Å; Y420-L446 HydrophobicContact CE2-CD1 3.31Å; Y420-L446 HydrophobicContact CG-CD1 4.47Å; T442-L446 HydrophobicContact CG2-CD1 4.46Å; T442-L446 WeakPolarHBondContact O-CB 3.24Å; T442-L446 VanDerWaalsContact O-CG 3.25Å; T442-L446 WeakPolarHBondContact O-CG 3.17Å; T442-L446 PolarHBondContact O-N 2.89Å; T442-L446 VanDerWaalsContact O-N 3.15Å; G443-L446 CarbonylContact O-C 3.43Å; G443-L446 PolarHBondContact O-N 3.13Å; I444-L446 PolarHBondContact O-N 3.37Å
447	E	98.2	Very high	98.1	Very high	36 Å²	36	29.4 Å²	29.4	17%	0.168	15%	0.145	C	C	.	.			trans	-157.5	118.6	-174	-177.9	-168.4	98.4	0	0	111.4	T229 Q421 G443 I444 S449 N452	T229-E447 HydrophobicContact CG2-CG 3.46Å; T229-E447 VanDerWaalsContact CG2-CG 3.46Å; Q421-E447 PolarHBondContact NE2-OE1 3.38Å; G443-E447 PolarHBondContact O-N 3.22Å; I444-E447 WeakPolarHBondContact CA-O 2.96Å; I444-E447 CarbonylContact O-C 3.5Å; I444-E447 PolarHBondContact O-N 2.79Å; E447-S449 PolarHBondContact O-N 3.47Å; E447-S449 VanDerWaalsContact O-N 3.14Å; E447-S449 VanDerWaalsContact OE1-CB 3.22Å; E447-S449 WeakPolarHBondContact OE1-CB 3.18Å; E447-S449 PolarHBondContact OE1-OG 2.7Å; E447-N452 PolarHBondContact O-ND2 3.1Å
448	M	98.1	Very high	98.1	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.049	13%	0.13	C	C	.	.			trans	-86.2	78.3	173.7	-167.3	-174.3	172.2	0	0	110.5	R60 N232 T233 M238 Y453 L479	R60-M448 VanDerWaalsContact NH1-CE 3.29Å; R60-M448 PolarHBondContact NH1-SD 3.46Å; R60-M448 PolarHBondContact NH2-SD 3.24Å; N232-M448 HydrophobicContact CB-CB 4.03Å; N232-M448 HydrophobicContact CB-CG 4.18Å; N232-M448 HydrophobicContact CB-SD 3.94Å; T233-M448 PolarHBondContact OG1-N 3.03Å; M238-M448 HydrophobicContact SD-CE 4.32Å; M448-Y453 HydrophobicContact CE-CE2 3.99Å; M448-Y453 HydrophobicContact CG-CE2 3.82Å; M448-L479 HydrophobicContact CE-CD1 4.1Å; M448-L479 HydrophobicContact CE-CD2 3.96Å; M448-L479 HydrophobicContact CE-CG 4.33Å; M448-L479 HydrophobicContact CG-CD1 4.39Å
449	S	98.4	Very high	98.1	Very high	5 Å²	5	18.6 Å²	18.6	4%	0.035	10%	0.098	C	C	.	.			trans	-112.4	153.4	178.9	61.8	0	0	0	0	112.6	E447 L451 N452 Y453	E447-S449 PolarHBondContact O-N 3.47Å; E447-S449 VanDerWaalsContact O-N 3.14Å; E447-S449 VanDerWaalsContact OE1-CB 3.22Å; E447-S449 WeakPolarHBondContact OE1-CB 3.18Å; E447-S449 PolarHBondContact OE1-OG 2.7Å; S449-L451 PolarHBondContact O-N 2.78Å; S449-N452 PolarHBondContact O-N 2.93Å; S449-N452 PolarHBondContact OG-ND2 3.13Å; S449-Y453 WeakPolarHBondContact O-CD2 3.35Å; S449-Y453 PolarHBondContact O-N 3.16Å
450	W	98.5	Very high	98.1	Very high	10 Å²	10	19.9 Å²	19.9	4%	0.038	10%	0.101	C	C	.	.	H	α-helix	trans	-57.3	-39	178.3	66.1	-88.5	0	0	0	111.6	L348 N452 Y453 V454 A476 L479 R480 T485 W488	L348-W450 HydrophobicContact CD2-CZ2 3.58Å; W450-N452 PolarHBondContact O-N 3.42Å; W450-Y453 PolarHBondContact O-N 2.88Å; W450-V454 HydrophobicContact CE3-CG2 4.08Å; W450-V454 HydrophobicContact CZ3-CG2 4.28Å; W450-V454 PolarHBondContact O-N 3.32Å; W450-A476 VanDerWaalsContact O-CB 3.29Å; W450-A476 WeakPolarHBondContact O-CB 3.3Å; W450-L479 HydrophobicContact CB-CB 3.92Å; W450-R480 HydrophobicContact CB-CB 3.76Å; W450-R480 VanDerWaalsContact CD1-CD 3.41Å; W450-R480 HydrophobicContact CD2-CB 4.49Å; W450-R480 HydrophobicContact CG-CB 3.71Å; W450-R480 HydrophobicContact CG-CG 4.44Å; W450-T485 HydrophobicContact CE3-CG2 3.81Å; W450-W488 HydrophobicContact CH2-CB 4.45Å; W450-W488 AromaticContact CH2-CD1 3.5Å; W450-W488 VanDerWaalsContact CH2-CD1 3.5Å; W450-W488 HydrophobicContact CH2-CD2 4.24Å; W450-W488 AromaticContact CH2-CG 3.84Å; W450-W488 HydrophobicContact CH2-CG 3.84Å; W450-W488 AromaticContact CH2-NE1 3.67Å; W450-W488 HydrophobicContact CZ3-CB 3.81Å; W450-W488 AromaticContact CZ3-CD1 3.73Å; W450-W488 HydrophobicContact CZ3-CD2 4.33Å; W450-W488 AromaticContact CZ3-CG 3.69Å; W450-W488 HydrophobicContact CZ3-CG 3.69Å
451	L	98.3	Very high	98	Very high	12 Å²	12	21.7 Å²	21.7	6%	0.063	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-40.7	179.2	-179.5	61.2	0	0	0	111.8	S449 Y453 V454 L455 W488	S449-L451 PolarHBondContact O-N 2.78Å; L451-Y453 VanDerWaalsContact C-N 3.28Å; L451-Y453 PolarHBondContact O-N 3.43Å; L451-V454 PolarHBondContact O-N 3.38Å; L451-L455 HydrophobicContact CG-CD1 4.49Å; L451-L455 WeakPolarHBondContact O-CG 3.43Å; L451-L455 PolarHBondContact O-N 3.49Å; L451-W488 HydrophobicContact CD1-CD2 4.06Å; L451-W488 HydrophobicContact CD1-CE3 3.71Å; L451-W488 HydrophobicContact CD1-CH2 4.09Å; L451-W488 HydrophobicContact CD1-CZ2 4.42Å; L451-W488 HydrophobicContact CD1-CZ3 3.73Å
452	N	98.6	Very high	98	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.4	-37.2	177	-78.2	-21.8	0	0	0	112.2	S417 Q421 I440 G443 I444 E447 S449 W450 L455 L456	S417-N452 PolarHBondContact OG-ND2 3.41Å; Q421-N452 WeakPolarHBondContact CG-OD1 3.44Å; Q421-N452 PolarHBondContact NE2-OD1 2.92Å; I440-N452 HydrophobicContact CD1-CB 4.17Å; I440-N452 WeakPolarHBondContact CG1-O 3.45Å; G443-N452 PolarHBondContact O-ND2 2.85Å; I444-N452 HydrophobicContact CG1-CB 3.74Å; E447-N452 PolarHBondContact O-ND2 3.1Å; S449-N452 PolarHBondContact O-N 2.93Å; S449-N452 PolarHBondContact OG-ND2 3.13Å; W450-N452 PolarHBondContact O-N 3.42Å; N452-L455 PolarHBondContact O-N 3.11Å; N452-L456 WeakPolarHBondContact O-CB 3.5Å; N452-L456 PolarHBondContact O-N 3.44Å
453	Y	98.6	Very high	97.9	Very high	35 Å²	35	23.8 Å²	23.8	14%	0.137	11%	0.114	C	C	.	.	H	α-helix	trans	-72.8	-33.3	174.7	-81.2	-80.5	0	0	0	113.5	I444 M448 S449 W450 L451 L456 G457 T475 L479	I444-Y453 HydrophobicContact CD1-CE1 4.44Å; I444-Y453 HydrophobicContact CG2-CE2 4.35Å; M448-Y453 HydrophobicContact CE-CE2 3.99Å; M448-Y453 HydrophobicContact CG-CE2 3.82Å; S449-Y453 WeakPolarHBondContact O-CD2 3.35Å; S449-Y453 PolarHBondContact O-N 3.16Å; W450-Y453 PolarHBondContact O-N 2.88Å; L451-Y453 VanDerWaalsContact C-N 3.28Å; L451-Y453 PolarHBondContact O-N 3.43Å; Y453-L456 HydrophobicContact CD1-CD2 4.34Å; Y453-L456 HydrophobicContact CE1-CD2 4.48Å; Y453-L456 PolarHBondContact O-N 2.89Å; Y453-G457 PolarHBondContact O-N 3.17Å; Y453-T475 HydrophobicContact CD1-CG2 3.58Å; Y453-T475 HydrophobicContact CD2-CG2 3.93Å; Y453-T475 HydrophobicContact CE1-CG2 3.54Å; Y453-T475 HydrophobicContact CE2-CG2 3.89Å; Y453-T475 HydrophobicContact CG-CG2 3.77Å; Y453-L479 HydrophobicContact CD2-CD1 3.47Å; Y453-L479 VanDerWaalsContact CD2-CD1 3.47Å; Y453-L479 HydrophobicContact CE2-CD1 3.82Å; Y453-L479 HydrophobicContact CG-CD1 4.39Å
454	V	98.4	Very high	97.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-48.6	168.5	176.6	0	0	0	0	110.3	W450 L451 L456 G457 K458 Y473 A476 T485 W488 I489	W450-V454 HydrophobicContact CE3-CG2 4.08Å; W450-V454 HydrophobicContact CZ3-CG2 4.28Å; W450-V454 PolarHBondContact O-N 3.32Å; L451-V454 PolarHBondContact O-N 3.38Å; V454-L456 VanDerWaalsContact C-N 3.33Å; V454-L456 PolarHBondContact O-N 2.88Å; V454-G457 WeakPolarHBondContact O-CA 3.37Å; V454-G457 PolarHBondContact O-N 2.98Å; V454-G457 VanDerWaalsContact O-N 3.12Å; V454-K458 HydrophobicContact CG1-CG 4.45Å; V454-K458 WeakPolarHBondContact O-CG 3.3Å; V454-K458 PolarHBondContact O-N 3.43Å; V454-Y473 HydrophobicContact CG1-CE1 4.24Å; V454-Y473 WeakPolarHBondContact O-CE1 3.5Å; V454-A476 HydrophobicContact CG2-CB 3.67Å; V454-T485 HydrophobicContact CG2-CG2 4.38Å; V454-W488 HydrophobicContact CG1-CB 4.24Å; V454-W488 HydrophobicContact CG2-CB 4.39Å; V454-I489 HydrophobicContact CG2-CG1 3.96Å
455	L	98.3	Very high	97.7	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-38.9	179.4	-68.1	178.4	0	0	0	112.1	Q421 V425 L428 I440 L451 N452 G457 K458 V459 I493	Q421-L455 HydrophobicContact CB-CD1 4.25Å; Q421-L455 HydrophobicContact CG-CD1 4.19Å; V425-L455 HydrophobicContact CG2-CD1 4Å; V425-L455 HydrophobicContact CG2-CD2 3.6Å; V425-L455 HydrophobicContact CG2-CG 4.48Å; L428-L455 HydrophobicContact CD1-CD2 4.48Å; I440-L455 HydrophobicContact CD1-CB 3.65Å; I440-L455 HydrophobicContact CD1-CD1 3.93Å; I440-L455 HydrophobicContact CD1-CG 4.45Å; I440-L455 HydrophobicContact CG1-CB 3.87Å; L451-L455 HydrophobicContact CG-CD1 4.49Å; L451-L455 WeakPolarHBondContact O-CG 3.43Å; L451-L455 PolarHBondContact O-N 3.49Å; N452-L455 PolarHBondContact O-N 3.11Å; L455-G457 VanDerWaalsContact C-N 3.35Å; L455-K458 PolarHBondContact O-N 2.8Å; L455-V459 WeakPolarHBondContact O-CG2 3.49Å; L455-V459 PolarHBondContact O-N 2.95Å; L455-I493 HydrophobicContact CD2-CG1 4.2Å
456	L	98.6	Very high	97.5	Very high	11 Å²	11	25 Å²	25	6%	0.058	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-41	172.9	177.5	62.6	0	0	0	111.6	Y437 I440 I444 N452 Y453 V454 K458 V459 Y460 A472	Y437-L456 HydrophobicContact CD2-CD1 4.22Å; Y437-L456 HydrophobicContact CE2-CD1 4.13Å; I440-L456 HydrophobicContact CG1-CB 4.22Å; I440-L456 HydrophobicContact CG2-CB 4.24Å; I440-L456 HydrophobicContact CG2-CD1 3.84Å; I444-L456 HydrophobicContact CD1-CB 4.08Å; I444-L456 HydrophobicContact CD1-CD2 3.65Å; I444-L456 HydrophobicContact CD1-CG 4.4Å; N452-L456 WeakPolarHBondContact O-CB 3.5Å; N452-L456 PolarHBondContact O-N 3.44Å; Y453-L456 HydrophobicContact CD1-CD2 4.34Å; Y453-L456 HydrophobicContact CE1-CD2 4.48Å; Y453-L456 PolarHBondContact O-N 2.89Å; V454-L456 VanDerWaalsContact C-N 3.33Å; V454-L456 PolarHBondContact O-N 2.88Å; L456-K458 PolarHBondContact O-N 2.89Å; L456-V459 WeakPolarHBondContact O-CB 3.44Å; L456-V459 PolarHBondContact O-N 3.31Å; L456-Y460 HydrophobicContact CD1-CD2 4.01Å; L456-Y460 HydrophobicContact CD1-CE2 3.55Å; L456-Y460 HydrophobicContact CD2-CE2 3.9Å; L456-Y460 HydrophobicContact CG-CD2 3.88Å; L456-Y460 HydrophobicContact CG-CE2 3.53Å; L456-Y460 WeakPolarHBondContact O-CD2 3.38Å; L456-Y460 PolarHBondContact O-N 3.22Å; L456-A472 HydrophobicContact CB-CB 4.35Å; L456-A472 HydrophobicContact CD2-CB 4.26Å; L456-A472 HydrophobicContact CG-CB 4.12Å
457	G	98.1	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-44.3	173.3	0	0	0	0	0	112.6	Y453 V454 L455 V459 Y460 E461 A469 Y473	Y453-G457 PolarHBondContact O-N 3.17Å; V454-G457 WeakPolarHBondContact O-CA 3.37Å; V454-G457 PolarHBondContact O-N 2.98Å; V454-G457 VanDerWaalsContact O-N 3.12Å; L455-G457 VanDerWaalsContact C-N 3.35Å; G457-V459 VanDerWaalsContact C-N 3.31Å; G457-V459 PolarHBondContact O-N 3.33Å; G457-Y460 PolarHBondContact O-N 2.95Å; G457-E461 WeakPolarHBondContact O-CB 3.3Å; G457-E461 PolarHBondContact O-N 2.94Å; G457-A469 WeakPolarHBondContact O-CB 3.03Å; G457-Y473 VanDerWaalsContact C-CZ 3.45Å
458	K	97.9	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-37	175.3	-63.9	-73.7	166.4	175.9	0	112.1	L428 V454 L455 L456 M462 Y473 I489 G492 F494 T496	L428-K458 HydrophobicContact CD1-CB 3.95Å; V454-K458 HydrophobicContact CG1-CG 4.45Å; V454-K458 WeakPolarHBondContact O-CG 3.3Å; V454-K458 PolarHBondContact O-N 3.43Å; L455-K458 PolarHBondContact O-N 2.8Å; L456-K458 PolarHBondContact O-N 2.89Å; K458-M462 WeakPolarHBondContact O-CB 3.4Å; K458-M462 PolarHBondContact O-N 3.41Å; K458-Y473 WeakPolarHBondContact CA-OH 3.44Å; K458-Y473 VanDerWaalsContact CD-OH 3.22Å; K458-Y473 WeakPolarHBondContact CD-OH 3.24Å; K458-Y473 VanDerWaalsContact CE-OH 3.31Å; K458-Y473 WeakPolarHBondContact CE-OH 3.45Å; K458-Y473 HydrophobicContact CG-CE1 4.33Å; K458-Y473 PolarHBondContact N-OH 3.3Å; K458-I489 VanDerWaalsContact CE-O 3.31Å; K458-I489 WeakPolarHBondContact CE-O 3.34Å; K458-I489 PolarHBondContact NZ-O 2.97Å; K458-G492 WeakPolarHBondContact CD-O 3.28Å; K458-G492 WeakPolarHBondContact CE-O 3.28Å; K458-G492 PolarHBondContact NZ-O 3.44Å; K458-F494 HydrophobicContact CB-CE1 3.89Å; K458-F494 HydrophobicContact CB-CZ 3.91Å; K458-F494 HydrophobicContact CD-CD1 4.27Å; K458-F494 HydrophobicContact CD-CD2 4.23Å; K458-F494 HydrophobicContact CD-CE1 3.82Å; K458-F494 HydrophobicContact CD-CE2 3.76Å; K458-F494 HydrophobicContact CD-CG 4.46Å; K458-F494 HydrophobicContact CD-CZ 3.55Å; K458-F494 HydrophobicContact CG-CE1 4.41Å; K458-F494 HydrophobicContact CG-CZ 4.33Å; K458-F494 PolarHBondContact NZ-O 3.06Å; K458-F494 WeakPolarHBondContact O-CZ 3.39Å; K458-T496 PolarHBondContact NZ-OG1 2.74Å
459	V	98.3	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-48.6	172.8	172.6	0	0	0	0	111.3	L428 S436 Y437 I440 L455 L456 G457 E461 M462 K463	L428-V459 HydrophobicContact CD1-CG2 4.33Å; L428-V459 HydrophobicContact CD2-CG2 3.82Å; L428-V459 HydrophobicContact CG-CG2 4.19Å; S436-V459 WeakPolarHBondContact OG-CG2 3.32Å; Y437-V459 HydrophobicContact CD2-CG1 3.91Å; Y437-V459 HydrophobicContact CG-CG1 4.32Å; I440-V459 HydrophobicContact CG2-CG2 4.2Å; L455-V459 WeakPolarHBondContact O-CG2 3.49Å; L455-V459 PolarHBondContact O-N 2.95Å; L456-V459 WeakPolarHBondContact O-CB 3.44Å; L456-V459 PolarHBondContact O-N 3.31Å; G457-V459 VanDerWaalsContact C-N 3.31Å; G457-V459 PolarHBondContact O-N 3.33Å; V459-E461 PolarHBondContact O-N 2.88Å; V459-M462 PolarHBondContact O-N 3.04Å; V459-K463 HydrophobicContact CG1-CD 4.26Å; V459-K463 WeakPolarHBondContact O-CG 3.47Å; V459-K463 PolarHBondContact O-N 3.3Å
460	Y	98	Very high	97	Very high	37 Å²	37	36.4 Å²	36.4	15%	0.145	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-42.5	179.4	-76.2	-50.7	0	0	0	112.4	Y437 L456 G457 M462 K463 G464 M465 E468 A472	Y437-Y460 HydrophobicContact CD2-CE1 4.34Å; Y437-Y460 AromaticContact CE2-CE1 3.66Å; Y437-Y460 HydrophobicContact CE2-CE1 3.66Å; Y437-Y460 AromaticContact CE2-CZ 3.86Å; L456-Y460 HydrophobicContact CD1-CD2 4.01Å; L456-Y460 HydrophobicContact CD1-CE2 3.55Å; L456-Y460 HydrophobicContact CD2-CE2 3.9Å; L456-Y460 HydrophobicContact CG-CD2 3.88Å; L456-Y460 HydrophobicContact CG-CE2 3.53Å; L456-Y460 WeakPolarHBondContact O-CD2 3.38Å; L456-Y460 PolarHBondContact O-N 3.22Å; G457-Y460 PolarHBondContact O-N 2.95Å; Y460-M462 PolarHBondContact O-N 2.79Å; Y460-K463 CarbonylContact O-C 3.32Å; Y460-K463 WeakPolarHBondContact O-CA 3.5Å; Y460-K463 WeakPolarHBondContact O-CB 3.31Å; Y460-K463 PolarHBondContact O-N 3.22Å; Y460-G464 PolarHBondContact O-N 3.08Å; Y460-G464 VanDerWaalsContact O-N 3.11Å; Y460-M465 HydrophobicContact CD1-CB 4.05Å; Y460-M465 HydrophobicContact CD1-CE 3.99Å; Y460-M465 HydrophobicContact CD1-SD 4Å; Y460-M465 HydrophobicContact CE1-CE 3.97Å; Y460-M465 HydrophobicContact CE1-SD 4.38Å; Y460-M465 HydrophobicContact CG-CB 4.47Å; Y460-M465 WeakPolarHBondContact O-CB 3.37Å; Y460-M465 PolarHBondContact O-N 2.79Å; Y460-E468 HydrophobicContact CD1-CB 3.73Å; Y460-E468 VanDerWaalsContact CD2-C 3.45Å; Y460-E468 HydrophobicContact CD2-CB 3.72Å; Y460-E468 WeakPolarHBondContact CD2-O 3.17Å; Y460-E468 HydrophobicContact CE1-CB 3.9Å; Y460-E468 HydrophobicContact CE2-CB 3.85Å; Y460-E468 HydrophobicContact CG-CB 3.65Å; Y460-A472 HydrophobicContact CD2-CB 4.32Å
461	E	97	Very high	96.8	Very high	37 Å²	37	41 Å²	41	17%	0.173	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-41.8	176.7	-171.3	172.2	-177.9	0	0	111.6	G457 V459 K463 G464 A469 Y473 F494 T496	G457-E461 WeakPolarHBondContact O-CB 3.3Å; G457-E461 PolarHBondContact O-N 2.94Å; V459-E461 PolarHBondContact O-N 2.88Å; E461-K463 PolarHBondContact O-N 3.38Å; E461-G464 PolarHBondContact O-N 2.72Å; E461-A469 HydrophobicContact CB-CB 4.14Å; E461-Y473 PolarHBondContact OE2-OH 3.07Å; E461-F494 HydrophobicContact CB-CE2 4.37Å; E461-F494 HydrophobicContact CB-CZ 4.23Å; E461-F494 HydrophobicContact CG-CE2 4.11Å; E461-F494 HydrophobicContact CG-CZ 4.43Å; E461-T496 PolarHBondContact OE1-OG1 3.35Å; E461-T496 WeakPolarHBondContact OE2-CB 3.03Å; E461-T496 WeakPolarHBondContact OE2-CG2 3.18Å; E461-T496 PolarHBondContact OE2-OG1 2.81Å
462	M	96.5	Very high	96.8	Very high	66 Å²	66	40.5 Å²	40.5	33%	0.325	20%	0.201	S	C	.	.	H	α-helix	trans	-66.5	-22.4	173.6	-167.3	178.8	-75.6	0	0	113.1	L428 T433 K458 V459 Y460 F494	L428-M462 HydrophobicContact CB-CE 4.41Å; L428-M462 HydrophobicContact CD2-CB 4.41Å; L428-M462 HydrophobicContact CD2-CE 3.91Å; L428-M462 HydrophobicContact CD2-SD 3.92Å; L428-M462 WeakPolarHBondContact O-CE 3.34Å; T433-M462 HydrophobicContact CG2-CB 3.88Å; T433-M462 HydrophobicContact CG2-CG 3.48Å; T433-M462 VanDerWaalsContact CG2-CG 3.48Å; T433-M462 HydrophobicContact CG2-SD 3.78Å; K458-M462 WeakPolarHBondContact O-CB 3.4Å; K458-M462 PolarHBondContact O-N 3.41Å; V459-M462 PolarHBondContact O-N 3.04Å; Y460-M462 PolarHBondContact O-N 2.79Å; M462-F494 HydrophobicContact CE-CD1 4.05Å; M462-F494 HydrophobicContact CE-CE1 3.79Å
463	K	97	Very high	96.7	Very high	71 Å²	71	40.5 Å²	40.5	31%	0.309	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.4	169.4	-66.8	-175.1	107	171.4	0	113.8	T433 D434 V459 Y460 E461 M465	T433-K463 HydrophobicContact CG2-CG 3.81Å; D434-K463 VanDerWaalsContact OD1-CE 3.29Å; D434-K463 WeakPolarHBondContact OD1-CE 3.41Å; D434-K463 IonicContact OD1-NZ 3.53Å; D434-K463 PolarHBondContact OD1-NZ 2.92Å; V459-K463 HydrophobicContact CG1-CD 4.26Å; V459-K463 WeakPolarHBondContact O-CG 3.47Å; V459-K463 PolarHBondContact O-N 3.3Å; Y460-K463 CarbonylContact O-C 3.32Å; Y460-K463 WeakPolarHBondContact O-CA 3.5Å; Y460-K463 WeakPolarHBondContact O-CB 3.31Å; Y460-K463 PolarHBondContact O-N 3.22Å; E461-K463 PolarHBondContact O-N 3.38Å; K463-M465 VanDerWaalsContact C-N 3.29Å; K463-M465 HydrophobicContact CB-CG 4.08Å; K463-M465 HydrophobicContact CB-SD 4.12Å; K463-M465 HydrophobicContact CD-SD 4.48Å
464	G	95	Very high	96.6	Very high	59 Å²	59	41.6 Å²	41.6	61%	0.608	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	14.4	-174.6	0	0	0	0	0	114.5	Y460 E461 N466	Y460-G464 PolarHBondContact O-N 3.08Å; Y460-G464 VanDerWaalsContact O-N 3.11Å; E461-G464 PolarHBondContact O-N 2.72Å; G464-N466 PolarHBondContact O-N 3.42Å
465	M	95.2	Very high	96.5	Very high	64 Å²	64	42.8 Å²	42.8	32%	0.315	22%	0.217	S	C	.	.			trans	-94.4	63.7	-176.1	-65.5	179.6	63.7	0	0	110.7	Y460 K463 R467 E468 A469	Y460-M465 HydrophobicContact CD1-CB 4.05Å; Y460-M465 HydrophobicContact CD1-CE 3.99Å; Y460-M465 HydrophobicContact CD1-SD 4Å; Y460-M465 HydrophobicContact CE1-CE 3.97Å; Y460-M465 HydrophobicContact CE1-SD 4.38Å; Y460-M465 HydrophobicContact CG-CB 4.47Å; Y460-M465 WeakPolarHBondContact O-CB 3.37Å; Y460-M465 PolarHBondContact O-N 2.79Å; K463-M465 VanDerWaalsContact C-N 3.29Å; K463-M465 HydrophobicContact CB-CG 4.08Å; K463-M465 HydrophobicContact CB-SD 4.12Å; K463-M465 HydrophobicContact CD-SD 4.48Å; M465-R467 PolarHBondContact O-N 3.45Å; M465-R467 VanDerWaalsContact O-N 3.17Å; M465-E468 HydrophobicContact CB-CB 4.27Å; M465-E468 WeakPolarHBondContact CB-OE2 3.36Å; M465-E468 HydrophobicContact CE-CB 4.31Å; M465-E468 HydrophobicContact CE-CG 3.77Å; M465-E468 PolarHBondContact O-N 2.89Å; M465-A469 PolarHBondContact O-N 2.56Å
466	N	93.5	Very high	96.5	Very high	48 Å²	48	42.7 Å²	42.7	26%	0.257	22%	0.216	S	C	.	.	H	α-helix	trans	-64.1	-23.4	-168.8	-71.6	13.9	0	0	0	114.6	G464 A470 Y500 V501	G464-N466 PolarHBondContact O-N 3.42Å; N466-A470 WeakPolarHBondContact O-CB 3.31Å; N466-A470 PolarHBondContact O-N 3.1Å; N466-Y500 WeakPolarHBondContact ND2-CE1 3.48Å; N466-V501 HydrophobicContact CB-CG1 4.45Å
467	R	92.8	Very high	96.4	Very high	221 Å²	221	42.5 Å²	42.5	83%	0.834	22%	0.215	S	C	*	.	H	α-helix	trans	-74.2	-42.9	178.3	-70.6	-179.6	172.4	-173.4	-2.7	111.1	M465 A469 A470 D471	M465-R467 PolarHBondContact O-N 3.45Å; M465-R467 VanDerWaalsContact O-N 3.17Å; R467-A469 VanDerWaalsContact C-N 3.34Å; R467-A470 WeakPolarHBondContact O-CB 3.48Å; R467-A470 PolarHBondContact O-N 3.03Å; R467-D471 PolarHBondContact O-N 3.5Å
468	E	95.7	Very high	96.2	Very high	78 Å²	78	45.9 Å²	45.9	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-69.9	-35.2	176.5	-59.9	85.3	164.8	0	0	110.6	Y460 M465 D471 A472	Y460-E468 HydrophobicContact CD1-CB 3.73Å; Y460-E468 VanDerWaalsContact CD2-C 3.45Å; Y460-E468 HydrophobicContact CD2-CB 3.72Å; Y460-E468 WeakPolarHBondContact CD2-O 3.17Å; Y460-E468 HydrophobicContact CE1-CB 3.9Å; Y460-E468 HydrophobicContact CE2-CB 3.85Å; Y460-E468 HydrophobicContact CG-CB 3.65Å; M465-E468 HydrophobicContact CB-CB 4.27Å; M465-E468 WeakPolarHBondContact CB-OE2 3.36Å; M465-E468 HydrophobicContact CE-CB 4.31Å; M465-E468 HydrophobicContact CE-CG 3.77Å; M465-E468 PolarHBondContact O-N 2.89Å; E468-D471 PolarHBondContact O-N 2.87Å; E468-A472 WeakPolarHBondContact O-CB 3.43Å; E468-A472 PolarHBondContact O-N 3.37Å
469	A	96.6	Very high	96.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-46.4	168.2	0	0	0	0	0	111.7	G457 E461 M465 R467 D471 A472 Y473 V501	G457-A469 WeakPolarHBondContact O-CB 3.03Å; E461-A469 HydrophobicContact CB-CB 4.14Å; M465-A469 PolarHBondContact O-N 2.56Å; R467-A469 VanDerWaalsContact C-N 3.34Å; A469-D471 PolarHBondContact O-N 3.36Å; A469-A472 PolarHBondContact O-N 3.4Å; A469-Y473 HydrophobicContact CB-CD2 4.32Å; A469-Y473 HydrophobicContact CB-CE2 4Å; A469-Y473 WeakPolarHBondContact O-CB 3.38Å; A469-Y473 WeakPolarHBondContact O-CD2 3.37Å; A469-Y473 VanDerWaalsContact O-CG 3.26Å; A469-Y473 PolarHBondContact O-N 3.34Å; A469-V501 HydrophobicContact CB-CG1 3.99Å
470	A	95.2	Very high	96.2	Very high	12 Å²	12	46.3 Å²	46.3	10%	0.099	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-41.7	178.5	0	0	0	0	0	113.1	N466 R467 L474 V501 V502	N466-A470 WeakPolarHBondContact O-CB 3.31Å; N466-A470 PolarHBondContact O-N 3.1Å; R467-A470 WeakPolarHBondContact O-CB 3.48Å; R467-A470 PolarHBondContact O-N 3.03Å; A470-L474 VanDerWaalsContact O-CB 3.26Å; A470-L474 WeakPolarHBondContact O-CB 3.48Å; A470-L474 PolarHBondContact O-N 2.74Å; A470-V501 WeakPolarHBondContact CB-O 3.37Å; A470-V502 HydrophobicContact CB-CG1 4.31Å; A470-V502 HydrophobicContact CB-CG2 4.49Å
471	D	95.5	Very high	96	Very high	107 Å²	107	44.8 Å²	44.8	57%	0.572	23%	0.23	S	C	*	.	H	α-helix	trans	-65.2	-43.4	176.9	-174.6	74.7	0	0	0	112	R467 E468 A469 L474 T475	R467-D471 PolarHBondContact O-N 3.5Å; E468-D471 PolarHBondContact O-N 2.87Å; A469-D471 PolarHBondContact O-N 3.36Å; D471-L474 PolarHBondContact O-N 3.29Å; D471-T475 WeakPolarHBondContact O-CB 3.29Å; D471-T475 PolarHBondContact O-N 2.93Å; D471-T475 PolarHBondContact O-OG1 3.36Å
472	A	97.5	Very high	95.9	Very high	2 Å²	2	43.3 Å²	43.3	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-45.9	175.1	0	0	0	0	0	111.9	L456 Y460 E468 A469 L474 T475 A476	L456-A472 HydrophobicContact CB-CB 4.35Å; L456-A472 HydrophobicContact CD2-CB 4.26Å; L456-A472 HydrophobicContact CG-CB 4.12Å; Y460-A472 HydrophobicContact CD2-CB 4.32Å; E468-A472 WeakPolarHBondContact O-CB 3.43Å; E468-A472 PolarHBondContact O-N 3.37Å; A469-A472 PolarHBondContact O-N 3.4Å; A472-L474 PolarHBondContact O-N 3.44Å; A472-T475 WeakPolarHBondContact O-CB 3.31Å; A472-T475 PolarHBondContact O-N 2.97Å; A472-A476 PolarHBondContact O-N 2.9Å
473	Y	97.4	Very high	95.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-38.6	176.6	-66	-44	0	0	0	112.8	V454 G457 K458 E461 A469 T475 A476 F477 I489 T496 V501 V502	V454-Y473 HydrophobicContact CG1-CE1 4.24Å; V454-Y473 WeakPolarHBondContact O-CE1 3.5Å; G457-Y473 VanDerWaalsContact C-CZ 3.45Å; K458-Y473 WeakPolarHBondContact CA-OH 3.44Å; K458-Y473 VanDerWaalsContact CD-OH 3.22Å; K458-Y473 WeakPolarHBondContact CD-OH 3.24Å; K458-Y473 VanDerWaalsContact CE-OH 3.31Å; K458-Y473 WeakPolarHBondContact CE-OH 3.45Å; K458-Y473 HydrophobicContact CG-CE1 4.33Å; K458-Y473 PolarHBondContact N-OH 3.3Å; E461-Y473 PolarHBondContact OE2-OH 3.07Å; A469-Y473 HydrophobicContact CB-CD2 4.32Å; A469-Y473 HydrophobicContact CB-CE2 4Å; A469-Y473 WeakPolarHBondContact O-CB 3.38Å; A469-Y473 WeakPolarHBondContact O-CD2 3.37Å; A469-Y473 VanDerWaalsContact O-CG 3.26Å; A469-Y473 PolarHBondContact O-N 3.34Å; Y473-T475 VanDerWaalsContact C-N 3.34Å; Y473-A476 WeakPolarHBondContact O-CB 3.44Å; Y473-A476 PolarHBondContact O-N 2.89Å; Y473-F477 PolarHBondContact O-N 2.8Å; Y473-I489 HydrophobicContact CD1-CB 4.31Å; Y473-I489 HydrophobicContact CD1-CG1 3.8Å; Y473-I489 HydrophobicContact CD1-CG2 3.93Å; Y473-I489 HydrophobicContact CD2-CG2 4.24Å; Y473-I489 HydrophobicContact CE1-CG1 4.5Å; Y473-I489 HydrophobicContact CE1-CG2 4.29Å; Y473-I489 HydrophobicContact CG-CG1 4.26Å; Y473-I489 HydrophobicContact CG-CG2 3.88Å; Y473-T496 HydrophobicContact CE2-CG2 3.9Å; Y473-T496 PolarHBondContact OH-OG1 2.77Å; Y473-V501 HydrophobicContact CD2-CG1 4.26Å; Y473-V501 HydrophobicContact CE2-CG1 4.04Å; Y473-V502 HydrophobicContact CD2-CG2 3.49Å; Y473-V502 VanDerWaalsContact CD2-CG2 3.49Å; Y473-V502 HydrophobicContact CE2-CG2 4.39Å; Y473-V502 HydrophobicContact CG-CG2 4.12Å
474	L	95.7	Very high	95.6	Very high	57 Å²	57	40.4 Å²	40.4	30%	0.298	22%	0.222	S	C	.	.	H	α-helix	trans	-66.8	-35.9	173.5	-176.7	60.8	0	0	0	111.5	A470 D471 A472 F477 N478 L505	A470-L474 VanDerWaalsContact O-CB 3.26Å; A470-L474 WeakPolarHBondContact O-CB 3.48Å; A470-L474 PolarHBondContact O-N 2.74Å; D471-L474 PolarHBondContact O-N 3.29Å; A472-L474 PolarHBondContact O-N 3.44Å; L474-F477 PolarHBondContact O-N 2.98Å; L474-N478 WeakPolarHBondContact O-CB 3.12Å; L474-N478 PolarHBondContact O-N 2.89Å; L474-N478 PolarHBondContact O-ND2 3.4Å; L474-L505 HydrophobicContact CD1-CD2 4.12Å
475	T	96.7	Very high	95.7	Very high	27 Å²	27	37.6 Å²	37.6	17%	0.166	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-41.1	173.6	-59.2	0	0	0	0	111.6	Y453 D471 A472 Y473 N478 L479	Y453-T475 HydrophobicContact CD1-CG2 3.58Å; Y453-T475 HydrophobicContact CD2-CG2 3.93Å; Y453-T475 HydrophobicContact CE1-CG2 3.54Å; Y453-T475 HydrophobicContact CE2-CG2 3.89Å; Y453-T475 HydrophobicContact CG-CG2 3.77Å; D471-T475 WeakPolarHBondContact O-CB 3.29Å; D471-T475 PolarHBondContact O-N 2.93Å; D471-T475 PolarHBondContact O-OG1 3.36Å; A472-T475 WeakPolarHBondContact O-CB 3.31Å; A472-T475 PolarHBondContact O-N 2.97Å; Y473-T475 VanDerWaalsContact C-N 3.34Å; T475-N478 PolarHBondContact O-N 3.29Å; T475-L479 HydrophobicContact CG2-CD1 4.31Å; T475-L479 WeakPolarHBondContact O-CG 3.27Å; T475-L479 PolarHBondContact O-N 3.44Å
476	A	98	Very high	95.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-47.3	172.5	0	0	0	0	0	111.8	W450 V454 A472 Y473 N478 L479 R480 T485	W450-A476 VanDerWaalsContact O-CB 3.29Å; W450-A476 WeakPolarHBondContact O-CB 3.3Å; V454-A476 HydrophobicContact CG2-CB 3.67Å; A472-A476 PolarHBondContact O-N 2.9Å; Y473-A476 WeakPolarHBondContact O-CB 3.44Å; Y473-A476 PolarHBondContact O-N 2.89Å; A476-N478 VanDerWaalsContact C-N 3.35Å; A476-N478 PolarHBondContact O-N 3.5Å; A476-L479 PolarHBondContact O-N 3.17Å; A476-R480 PolarHBondContact O-N 3.21Å; A476-T485 HydrophobicContact CB-CG2 4.08Å
477	F	95.9	Very high	95.8	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-66.9	-33.6	178.8	-164.3	-88.1	0	0	0	112.5	Y473 L474 R480 P481 I489 L505 F508	Y473-F477 PolarHBondContact O-N 2.8Å; L474-F477 PolarHBondContact O-N 2.98Å; F477-R480 CarbonylContact O-C 3.01Å; F477-P481 HydrophobicContact CD1-CB 4Å; F477-P481 HydrophobicContact CE1-CB 3.65Å; F477-P481 HydrophobicContact CZ-CB 4.02Å; F477-P481 WeakPolarHBondContact O-CA 3.47Å; F477-P481 WeakPolarHBondContact O-CB 3.13Å; F477-P481 WeakPolarHBondContact O-CD 3.39Å; F477-I489 HydrophobicContact CB-CD1 4.44Å; F477-L505 HydrophobicContact CB-CD1 4.35Å; F477-L505 HydrophobicContact CB-CD2 3.91Å; F477-L505 HydrophobicContact CD1-CD2 3.65Å; F477-L505 HydrophobicContact CD2-CD1 4.49Å; F477-L505 HydrophobicContact CD2-CD2 4.01Å; F477-L505 HydrophobicContact CE1-CD2 4.16Å; F477-L505 HydrophobicContact CE2-CD2 4.47Å; F477-L505 HydrophobicContact CG-CD1 4.48Å; F477-L505 HydrophobicContact CG-CD2 3.57Å; F477-F508 AromaticContact CE1-CD1 3.92Å; F477-F508 HydrophobicContact CE1-CD1 3.92Å; F477-F508 AromaticContact CE1-CE1 3.44Å; F477-F508 HydrophobicContact CE1-CE1 3.44Å; F477-F508 VanDerWaalsContact CE1-CE1 3.44Å; F477-F508 HydrophobicContact CE1-CZ 4.08Å; F477-F508 HydrophobicContact CZ-CD1 4.05Å; F477-F508 AromaticContact CZ-CE1 3.74Å; F477-F508 HydrophobicContact CZ-CE1 3.74Å
478	N	95.2	Very high	96	Very high	71 Å²	71	26.4 Å²	26.4	38%	0.38	15%	0.146	S	C	.	.	H	α-helix	trans	-65.6	-42	170.7	-80.2	-48.8	0	0	0	112	H240 L474 T475 A476 R480	H240-N478 PolarHBondContact ND1-O 2.72Å; L474-N478 WeakPolarHBondContact O-CB 3.12Å; L474-N478 PolarHBondContact O-N 2.89Å; L474-N478 PolarHBondContact O-ND2 3.4Å; T475-N478 PolarHBondContact O-N 3.29Å; A476-N478 VanDerWaalsContact C-N 3.35Å; A476-N478 PolarHBondContact O-N 3.5Å; N478-R480 VanDerWaalsContact C-N 3.33Å; N478-R480 PolarHBondContact O-N 2.03Å
479	L	98	Very high	96	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-37.7	179	-80.7	167.8	0	0	0	112.5	N232 M238 D241 M448 W450 Y453 T475 A476	N232-L479 HydrophobicContact CB-CD2 4.31Å; N232-L479 WeakPolarHBondContact ND2-CD2 3.26Å; M238-L479 HydrophobicContact CE-CD2 3.87Å; M238-L479 HydrophobicContact CE-CG 4.22Å; D241-L479 PolarHBondContact N-O 2.92Å; M448-L479 HydrophobicContact CE-CD1 4.1Å; M448-L479 HydrophobicContact CE-CD2 3.96Å; M448-L479 HydrophobicContact CE-CG 4.33Å; M448-L479 HydrophobicContact CG-CD1 4.39Å; W450-L479 HydrophobicContact CB-CB 3.92Å; Y453-L479 HydrophobicContact CD2-CD1 3.47Å; Y453-L479 VanDerWaalsContact CD2-CD1 3.47Å; Y453-L479 HydrophobicContact CE2-CD1 3.82Å; Y453-L479 HydrophobicContact CG-CD1 4.39Å; T475-L479 HydrophobicContact CG2-CD1 4.31Å; T475-L479 WeakPolarHBondContact O-CG 3.27Å; T475-L479 PolarHBondContact O-N 3.44Å; A476-L479 PolarHBondContact O-N 3.17Å
480	R	97.7	Very high	95.9	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.008	15%	0.145	C	C	.	.	S	Bend	trans	-149.5	82.1	-179.8	-169.8	169.3	-158.8	-86.2	-7.9	111.5	D241 W450 A476 F477 N478 N484 T485	D241-R480 HydrophobicContact CB-CB 4.33Å; D241-R480 HydrophobicContact CB-CG 4.02Å; D241-R480 IonicContact OD2-CZ 3.94Å; D241-R480 IonicContact OD2-NE 3.19Å; D241-R480 PolarHBondContact OD2-NE 3.45Å; D241-R480 IonicContact OD2-NH2 2.69Å; D241-R480 PolarHBondContact OD2-NH2 3.28Å; W450-R480 HydrophobicContact CB-CB 3.76Å; W450-R480 VanDerWaalsContact CD1-CD 3.41Å; W450-R480 HydrophobicContact CD2-CB 4.49Å; W450-R480 HydrophobicContact CG-CB 3.71Å; W450-R480 HydrophobicContact CG-CG 4.44Å; A476-R480 PolarHBondContact O-N 3.21Å; F477-R480 CarbonylContact O-C 3.01Å; N478-R480 VanDerWaalsContact C-N 3.33Å; N478-R480 PolarHBondContact O-N 2.03Å; R480-N484 PolarHBondContact NH1-ND2 3.1Å; R480-T485 WeakPolarHBondContact O-CB 3.48Å; R480-T485 PolarHBondContact O-OG1 2.87Å
481	P	94.7	Very high	95.9	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.039	15%	0.152	C	C	.	.			trans	-69.3	151.1	-179	25.8	-33.9	0	0	0	111.9	D241 K242 Y245 F477	D241-P481 WeakPolarHBondContact O-CD 3.22Å; K242-P481 HydrophobicContact CG-CG 3.65Å; Y245-P481 HydrophobicContact CD1-CB 4.29Å; Y245-P481 HydrophobicContact CD1-CG 4.1Å; Y245-P481 HydrophobicContact CD2-CB 3.99Å; Y245-P481 HydrophobicContact CE2-CB 4.45Å; Y245-P481 HydrophobicContact CG-CB 3.93Å; Y245-P481 HydrophobicContact CG-CG 4Å; Y245-P481 PolarHBondContact N-O 2.98Å; F477-P481 HydrophobicContact CD1-CB 4Å; F477-P481 HydrophobicContact CE1-CB 3.65Å; F477-P481 HydrophobicContact CZ-CB 4.02Å; F477-P481 WeakPolarHBondContact O-CA 3.47Å; F477-P481 WeakPolarHBondContact O-CB 3.13Å; F477-P481 WeakPolarHBondContact O-CD 3.39Å
482	G	93.1	Very high	95.8	Very high	5 Å²	5	22.8 Å²	22.8	5%	0.052	13%	0.126	C	C	.	.	S	Bend	trans	124.7	-179.8	176.2	0	0	0	0	0	114.8	N484 T485 L486	G482-N484 VanDerWaalsContact C-N 3.29Å; G482-N484 PolarHBondContact O-N 3.28Å; G482-T485 PolarHBondContact O-N 3.22Å; G482-L486 PolarHBondContact O-N 3.32Å; G482-L486 VanDerWaalsContact O-N 3.13Å
483	A	93	Very high	95.7	Very high	66 Å²	66	23.5 Å²	23.5	55%	0.545	13%	0.13	S	C	.	.	H	α-helix	trans	-58.8	-34.4	-171.6	0	0	0	0	0	114	N244 Y487	N244-A483 PolarHBondContact OD1-N 3.26Å; A483-Y487 WeakPolarHBondContact O-CB 3.35Å; A483-Y487 PolarHBondContact O-N 3.33Å
484	N	96.3	Very high	95.5	Very high	10 Å²	10	26.1 Å²	26.1	5%	0.053	14%	0.141	C	C	.	.	H	α-helix	trans	-61.5	-54.6	179.9	-77.8	34.9	0	0	0	111.6	N244 L348 R480 G482 L486 Y487 W488	N244-N484 VanDerWaalsContact ND2-CG 3.29Å; N244-N484 PolarHBondContact ND2-OD1 2.9Å; N244-N484 WeakPolarHBondContact OD1-CB 3.49Å; N244-N484 PolarHBondContact OD1-N 2.87Å; N244-N484 PolarHBondContact OD1-OD1 3.23Å; L348-N484 VanDerWaalsContact C-ND2 3.33Å; L348-N484 WeakPolarHBondContact CB-ND2 3.4Å; L348-N484 VanDerWaalsContact O-CB 3.22Å; L348-N484 WeakPolarHBondContact O-CB 3.45Å; L348-N484 PolarHBondContact O-ND2 3.15Å; R480-N484 PolarHBondContact NH1-ND2 3.1Å; G482-N484 VanDerWaalsContact C-N 3.29Å; G482-N484 PolarHBondContact O-N 3.28Å; N484-L486 VanDerWaalsContact C-N 3.34Å; N484-Y487 PolarHBondContact O-N 2.8Å; N484-W488 PolarHBondContact O-N 3.45Å
485	T	96.9	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-70.8	-33.2	-178.6	-65.3	0	0	0	0	111.3	W450 V454 A476 R480 G482 W488 I489	W450-T485 HydrophobicContact CE3-CG2 3.81Å; V454-T485 HydrophobicContact CG2-CG2 4.38Å; A476-T485 HydrophobicContact CB-CG2 4.08Å; R480-T485 WeakPolarHBondContact O-CB 3.48Å; R480-T485 PolarHBondContact O-OG1 2.87Å; G482-T485 PolarHBondContact O-N 3.22Å; T485-W488 PolarHBondContact O-N 3.45Å; T485-I489 HydrophobicContact CG2-CD1 4.14Å; T485-I489 VanDerWaalsContact O-CG1 3.29Å; T485-I489 WeakPolarHBondContact O-CG1 3.31Å; T485-I489 PolarHBondContact O-N 2.72Å
486	L	94.6	Very high	95.4	Very high	22 Å²	22	30.4 Å²	30.4	12%	0.115	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-47.3	169.8	-179.5	63.2	0	0	0	112.3	G482 N484 W488 I489 E490 V498 L509	G482-L486 PolarHBondContact O-N 3.32Å; G482-L486 VanDerWaalsContact O-N 3.13Å; N484-L486 VanDerWaalsContact C-N 3.34Å; L486-W488 PolarHBondContact O-N 3.13Å; L486-I489 WeakPolarHBondContact O-CB 3.49Å; L486-I489 PolarHBondContact O-N 2.98Å; L486-E490 HydrophobicContact CD1-CG 4.09Å; L486-E490 HydrophobicContact CG-CG 4.34Å; L486-E490 PolarHBondContact O-N 2.97Å; L486-V498 HydrophobicContact CD1-CG2 4.2Å; L486-L509 HydrophobicContact CD1-CD1 3.59Å; L486-L509 HydrophobicContact CD2-CD1 3.52Å; L486-L509 HydrophobicContact CD2-CD2 3.71Å; L486-L509 HydrophobicContact CD2-CG 4.24Å; L486-L509 HydrophobicContact CG-CD1 4.19Å
487	Y	95.1	Very high	95.1	Very high	71 Å²	71	33.6 Å²	33.6	28%	0.278	18%	0.18	S	C	.	.	H	α-helix	trans	-56.3	-41.9	178.7	-178.4	-87.4	0	0	0	111.5	H349 G350 D351 A483 N484 E490 N491	H349-Y487 WeakPolarHBondContact O-CD1 3.42Å; G350-Y487 VanDerWaalsContact C-CE1 3.42Å; G350-Y487 WeakPolarHBondContact O-CE1 3.36Å; D351-Y487 WeakPolarHBondContact CA-OH 3.41Å; D351-Y487 HydrophobicContact CB-CE1 4.22Å; D351-Y487 HydrophobicContact CB-CE2 4.35Å; A483-Y487 WeakPolarHBondContact O-CB 3.35Å; A483-Y487 PolarHBondContact O-N 3.33Å; N484-Y487 PolarHBondContact O-N 2.8Å; Y487-E490 PolarHBondContact O-N 3.47Å; Y487-N491 HydrophobicContact CD1-CB 4.45Å; Y487-N491 HydrophobicContact CE1-CB 3.99Å; Y487-N491 HydrophobicContact CE2-CB 4.32Å; Y487-N491 VanDerWaalsContact O-CB 3.32Å; Y487-N491 WeakPolarHBondContact O-CB 3.41Å; Y487-N491 PolarHBondContact O-N 3.3Å; Y487-N491 PolarHBondContact O-ND2 3.06Å; Y487-N491 VanDerWaalsContact O-ND2 3.11Å
488	W	97.4	Very high	94.8	Very high	6 Å²	6	33.5 Å²	33.5	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-68.1	-37.6	175.8	-87	94.4	0	0	0	113.5	L347 G350 L355 V385 W450 L451 V454 N484 T485 L486 G492	L347-W488 HydrophobicContact CD1-CH2 4.25Å; L347-W488 HydrophobicContact CD1-CZ2 3.87Å; L347-W488 WeakPolarHBondContact O-CZ2 3.35Å; L347-W488 PolarHBondContact O-NE1 3.42Å; G350-W488 VanDerWaalsContact CA-NE1 3.32Å; L355-W488 HydrophobicContact CD2-CZ2 4.48Å; V385-W488 HydrophobicContact CB-CH2 4.39Å; V385-W488 HydrophobicContact CG1-CH2 3.77Å; V385-W488 HydrophobicContact CG1-CZ3 4Å; V385-W488 HydrophobicContact CG2-CH2 4Å; V385-W488 HydrophobicContact CG2-CZ3 4.23Å; W450-W488 HydrophobicContact CH2-CB 4.45Å; W450-W488 AromaticContact CH2-CD1 3.5Å; W450-W488 VanDerWaalsContact CH2-CD1 3.5Å; W450-W488 HydrophobicContact CH2-CD2 4.24Å; W450-W488 AromaticContact CH2-CG 3.84Å; W450-W488 HydrophobicContact CH2-CG 3.84Å; W450-W488 AromaticContact CH2-NE1 3.67Å; W450-W488 HydrophobicContact CZ3-CB 3.81Å; W450-W488 AromaticContact CZ3-CD1 3.73Å; W450-W488 HydrophobicContact CZ3-CD2 4.33Å; W450-W488 AromaticContact CZ3-CG 3.69Å; W450-W488 HydrophobicContact CZ3-CG 3.69Å; L451-W488 HydrophobicContact CD1-CD2 4.06Å; L451-W488 HydrophobicContact CD1-CE3 3.71Å; L451-W488 HydrophobicContact CD1-CH2 4.09Å; L451-W488 HydrophobicContact CD1-CZ2 4.42Å; L451-W488 HydrophobicContact CD1-CZ3 3.73Å; V454-W488 HydrophobicContact CG1-CB 4.24Å; V454-W488 HydrophobicContact CG2-CB 4.39Å; N484-W488 PolarHBondContact O-N 3.45Å; T485-W488 PolarHBondContact O-N 3.45Å; L486-W488 PolarHBondContact O-N 3.13Å; W488-G492 VanDerWaalsContact O-CA 3.31Å; W488-G492 WeakPolarHBondContact O-CA 3.26Å; W488-G492 PolarHBondContact O-N 3.06Å
489	I	96	Very high	94.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-49.2	171.5	-68	164.3	0	0	0	109.7	V454 K458 Y473 F477 T485 L486 T496 V498 L505	V454-I489 HydrophobicContact CG2-CG1 3.96Å; K458-I489 VanDerWaalsContact CE-O 3.31Å; K458-I489 WeakPolarHBondContact CE-O 3.34Å; K458-I489 PolarHBondContact NZ-O 2.97Å; Y473-I489 HydrophobicContact CD1-CB 4.31Å; Y473-I489 HydrophobicContact CD1-CG1 3.8Å; Y473-I489 HydrophobicContact CD1-CG2 3.93Å; Y473-I489 HydrophobicContact CD2-CG2 4.24Å; Y473-I489 HydrophobicContact CE1-CG1 4.5Å; Y473-I489 HydrophobicContact CE1-CG2 4.29Å; Y473-I489 HydrophobicContact CG-CG1 4.26Å; Y473-I489 HydrophobicContact CG-CG2 3.88Å; F477-I489 HydrophobicContact CB-CD1 4.44Å; T485-I489 HydrophobicContact CG2-CD1 4.14Å; T485-I489 VanDerWaalsContact O-CG1 3.29Å; T485-I489 WeakPolarHBondContact O-CG1 3.31Å; T485-I489 PolarHBondContact O-N 2.72Å; L486-I489 WeakPolarHBondContact O-CB 3.49Å; L486-I489 PolarHBondContact O-N 2.98Å; I489-T496 VanDerWaalsContact O-CB 3.31Å; I489-T496 WeakPolarHBondContact O-CB 3.24Å; I489-T496 PolarHBondContact O-OG1 2.73Å; I489-V498 HydrophobicContact CG2-CG2 4.02Å; I489-L505 HydrophobicContact CD1-CD1 3.94Å
490	E	94.4	Very high	93.9	Very high	72 Å²	72	41.7 Å²	41.7	34%	0.336	22%	0.217	S	C	.	.	H	α-helix	trans	-70.1	-41.1	-177	-73	-177.5	153.7	0	0	113.8	L486 Y487 Q495 T496 V498	L486-E490 HydrophobicContact CD1-CG 4.09Å; L486-E490 HydrophobicContact CG-CG 4.34Å; L486-E490 PolarHBondContact O-N 2.97Å; Y487-E490 PolarHBondContact O-N 3.47Å; E490-Q495 CarbonylContact O-C 3.59Å; E490-Q495 VanDerWaalsContact O-CA 3.26Å; E490-Q495 WeakPolarHBondContact O-CA 3.03Å; E490-T496 PolarHBondContact O-N 3.5Å; E490-V498 HydrophobicContact CG-CG2 3.58Å
491	N	94.7	Very high	93.2	Very high	46 Å²	46	41.9 Å²	41.9	25%	0.246	22%	0.218	C	C	.	.	H	α-helix	trans	-123.3	-13.3	-164.1	-55.6	-81.9	0	0	0	114.7	Y487 I493	Y487-N491 HydrophobicContact CD1-CB 4.45Å; Y487-N491 HydrophobicContact CE1-CB 3.99Å; Y487-N491 HydrophobicContact CE2-CB 4.32Å; Y487-N491 VanDerWaalsContact O-CB 3.32Å; Y487-N491 WeakPolarHBondContact O-CB 3.41Å; Y487-N491 PolarHBondContact O-N 3.3Å; Y487-N491 PolarHBondContact O-ND2 3.06Å; Y487-N491 VanDerWaalsContact O-ND2 3.11Å; N491-I493 PolarHBondContact O-N 3.04Å
492	G	94.1	Very high	92.7	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.031	22%	0.216	C	C	.	.	S	Bend	trans	-65.8	125	-176.2	0	0	0	0	0	112.2	K458 W488 F494	K458-G492 WeakPolarHBondContact CD-O 3.28Å; K458-G492 WeakPolarHBondContact CE-O 3.28Å; K458-G492 PolarHBondContact NZ-O 3.44Å; W488-G492 VanDerWaalsContact O-CA 3.31Å; W488-G492 WeakPolarHBondContact O-CA 3.26Å; W488-G492 PolarHBondContact O-N 3.06Å; G492-F494 PolarHBondContact O-N 2.96Å
493	I	94.7	Very high	92	Very high	17 Å²	17	44.1 Å²	44.1	9%	0.087	23%	0.231	C	C	.	.	S	Bend	trans	65.8	-48.7	-177.9	-43.1	-49.9	0	0	0	114.9	V385 S388 V425 L428 V429 L455 N491	V385-I493 HydrophobicContact CG1-CD1 4.36Å; V385-I493 HydrophobicContact CG2-CD1 3.9Å; S388-I493 WeakPolarHBondContact OG-CA 3.34Å; V425-I493 HydrophobicContact CB-CD1 4.48Å; V425-I493 HydrophobicContact CG1-CD1 3.59Å; V425-I493 HydrophobicContact CG2-CD1 4.09Å; L428-I493 HydrophobicContact CB-CG2 4.06Å; L428-I493 HydrophobicContact CD1-CG1 4.31Å; L428-I493 HydrophobicContact CD1-CG2 4.4Å; V429-I493 HydrophobicContact CG2-CG2 4.37Å; L455-I493 HydrophobicContact CD2-CG1 4.2Å; N491-I493 PolarHBondContact O-N 3.04Å
494	F	94.6	Very high	91.3	Very high	55 Å²	55	49 Å²	49	24%	0.241	24%	0.237	C	C	.	.	S	Bend	trans	-152.9	164.6	173.1	57.8	-100.4	0	0	0	109.7	K458 E461 M462 G492	K458-F494 HydrophobicContact CB-CE1 3.89Å; K458-F494 HydrophobicContact CB-CZ 3.91Å; K458-F494 HydrophobicContact CD-CD1 4.27Å; K458-F494 HydrophobicContact CD-CD2 4.23Å; K458-F494 HydrophobicContact CD-CE1 3.82Å; K458-F494 HydrophobicContact CD-CE2 3.76Å; K458-F494 HydrophobicContact CD-CG 4.46Å; K458-F494 HydrophobicContact CD-CZ 3.55Å; K458-F494 HydrophobicContact CG-CE1 4.41Å; K458-F494 HydrophobicContact CG-CZ 4.33Å; K458-F494 PolarHBondContact NZ-O 3.06Å; K458-F494 WeakPolarHBondContact O-CZ 3.39Å; E461-F494 HydrophobicContact CB-CE2 4.37Å; E461-F494 HydrophobicContact CB-CZ 4.23Å; E461-F494 HydrophobicContact CG-CE2 4.11Å; E461-F494 HydrophobicContact CG-CZ 4.43Å; M462-F494 HydrophobicContact CE-CD1 4.05Å; M462-F494 HydrophobicContact CE-CE1 3.79Å; G492-F494 PolarHBondContact O-N 2.96Å
495	Q	94.7	Very high	90.4	Very high	164 Å²	164	48.6 Å²	48.6	77%	0.766	24%	0.235	S	C	*	.			trans	-74.9	129.3	-179.1	-71.6	-177.7	-15.9	0	0	112.4	E490	E490-Q495 CarbonylContact O-C 3.59Å; E490-Q495 VanDerWaalsContact O-CA 3.26Å; E490-Q495 WeakPolarHBondContact O-CA 3.03Å
496	T	94.9	Very high	89.2	Confident	10 Å²	10	51.8 Å²	51.8	6%	0.061	25%	0.252	C	S	.	.			trans	-114.4	129.9	175.2	-65.7	0	0	0	0	109.5	K458 E461 Y473 I489 E490 V498 V501	K458-T496 PolarHBondContact NZ-OG1 2.74Å; E461-T496 PolarHBondContact OE1-OG1 3.35Å; E461-T496 WeakPolarHBondContact OE2-CB 3.03Å; E461-T496 WeakPolarHBondContact OE2-CG2 3.18Å; E461-T496 PolarHBondContact OE2-OG1 2.81Å; Y473-T496 HydrophobicContact CE2-CG2 3.9Å; Y473-T496 PolarHBondContact OH-OG1 2.77Å; I489-T496 VanDerWaalsContact O-CB 3.31Å; I489-T496 WeakPolarHBondContact O-CB 3.24Å; I489-T496 PolarHBondContact O-OG1 2.73Å; E490-T496 PolarHBondContact O-N 3.5Å; T496-V498 PolarHBondContact O-N 3.27Å; T496-V501 HydrophobicContact CG2-CB 4.05Å; T496-V501 HydrophobicContact CG2-CG1 4.42Å; T496-V501 HydrophobicContact CG2-CG2 4.04Å
497	S	92.4	Very high	87.6	Confident	66 Å²	66	58.5 Å²	58.5	46%	0.462	28%	0.28	S	S	.	.			trans	-82.4	98.2	175.3	180	0	0	0	0	110.4	Y500 V501	S497-Y500 PolarHBondContact O-N 3.41Å; S497-V501 PolarHBondContact O-N 3.37Å
498	V	87.8	Confident	86.1	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-52.5	-44.9	178.7	168.8	0	0	0	0	113	L486 I489 E490 T496 Y500 V502 L505 D506	L486-V498 HydrophobicContact CD1-CG2 4.2Å; I489-V498 HydrophobicContact CG2-CG2 4.02Å; E490-V498 HydrophobicContact CG-CG2 3.58Å; T496-V498 PolarHBondContact O-N 3.27Å; V498-Y500 PolarHBondContact O-N 3.22Å; V498-V502 CarbonylContact O-C 3.53Å; V498-V502 VanDerWaalsContact O-CA 3.31Å; V498-V502 WeakPolarHBondContact O-CA 3.42Å; V498-V502 PolarHBondContact O-N 3.25Å; V498-L505 HydrophobicContact CG1-CB 3.99Å; V498-D506 HydrophobicContact CG1-CB 4.34Å
499	P	87.2	Confident	84.5	Confident	76 Å²	76	59.2 Å²	59.2	49%	0.494	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-25	177.2	-23.2	33.6	0	0	0	114.5	D506	P499-D506 HydrophobicContact CB-CB 4.47Å
500	Y	87	Confident	82.8	Confident	174 Å²	174	63.1 Å²	63.1	68%	0.682	32%	0.319	S	S	*	.	H	α-helix	trans	-93.6	-42.6	-178.3	-177.5	-107.4	0	0	0	112.9	N466 S497 V498	N466-Y500 WeakPolarHBondContact ND2-CE1 3.48Å; S497-Y500 PolarHBondContact O-N 3.41Å; V498-Y500 PolarHBondContact O-N 3.22Å
501	V	84.5	Confident	80.7	Confident	6 Å²	6	64 Å²	64	4%	0.036	33%	0.333	C	S	.	.	H	α-helix	trans	-90.8	-40.9	-176.1	-174.9	0	0	0	0	111.1	N466 A469 A470 Y473 T496 S497 P503	N466-V501 HydrophobicContact CB-CG1 4.45Å; A469-V501 HydrophobicContact CB-CG1 3.99Å; A470-V501 WeakPolarHBondContact CB-O 3.37Å; Y473-V501 HydrophobicContact CD2-CG1 4.26Å; Y473-V501 HydrophobicContact CE2-CG1 4.04Å; T496-V501 HydrophobicContact CG2-CB 4.05Å; T496-V501 HydrophobicContact CG2-CG1 4.42Å; T496-V501 HydrophobicContact CG2-CG2 4.04Å; S497-V501 PolarHBondContact O-N 3.37Å; V501-P503 VanDerWaalsContact C-CD 3.44Å; V501-P503 WeakPolarHBondContact O-CD 3.47Å
502	V	82.9	Confident	78.5	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.356	C	S	.	.			trans	-128.3	61.3	-174.3	-152.3	0	0	0	0	111.8	A470 Y473 V498 Y504 L505 D506	A470-V502 HydrophobicContact CB-CG1 4.31Å; A470-V502 HydrophobicContact CB-CG2 4.49Å; Y473-V502 HydrophobicContact CD2-CG2 3.49Å; Y473-V502 VanDerWaalsContact CD2-CG2 3.49Å; Y473-V502 HydrophobicContact CE2-CG2 4.39Å; Y473-V502 HydrophobicContact CG-CG2 4.12Å; V498-V502 CarbonylContact O-C 3.53Å; V498-V502 VanDerWaalsContact O-CA 3.31Å; V498-V502 WeakPolarHBondContact O-CA 3.42Å; V498-V502 PolarHBondContact O-N 3.25Å; V502-Y504 PolarHBondContact O-N 3.01Å; V502-L505 HydrophobicContact CB-CB 4.44Å; V502-L505 HydrophobicContact CB-CD1 4.2Å; V502-L505 HydrophobicContact CB-CG 4.39Å; V502-L505 HydrophobicContact CG1-CB 4.19Å; V502-L505 HydrophobicContact CG1-CD1 3.72Å; V502-L505 HydrophobicContact CG1-CG 3.7Å; V502-L505 PolarHBondContact O-N 3.49Å; V502-D506 PolarHBondContact O-N 3.41Å
503	P	79.3	Confident	77.7	Confident	57 Å²	57	72.6 Å²	72.6	37%	0.37	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-9.7	-177	26.8	-36.8	0	0	0	114.5	V501	V501-P503 VanDerWaalsContact C-CD 3.44Å; V501-P503 WeakPolarHBondContact O-CD 3.47Å
504	Y	77.2	Confident	76.8	Confident	168 Å²	168	75.5 Å²	75.5	66%	0.659	39%	0.387	S	S	*	.	H	α-helix	trans	-72.7	-37.2	170.3	-59.6	-75.2	0	0	0	112.5	V502	V502-Y504 PolarHBondContact O-N 3.01Å
505	L	79.2	Confident	75.8	Confident	3 Å²	3	76.6 Å²	76.6	2%	0.016	40%	0.395	C	S	.	.	H	α-helix	trans	-75.4	-38.7	175.4	-68.6	178.5	0	0	0	111.3	L474 F477 I489 V498 V502 K507 F508 L509	L474-L505 HydrophobicContact CD1-CD2 4.12Å; F477-L505 HydrophobicContact CB-CD1 4.35Å; F477-L505 HydrophobicContact CB-CD2 3.91Å; F477-L505 HydrophobicContact CD1-CD2 3.65Å; F477-L505 HydrophobicContact CD2-CD1 4.49Å; F477-L505 HydrophobicContact CD2-CD2 4.01Å; F477-L505 HydrophobicContact CE1-CD2 4.16Å; F477-L505 HydrophobicContact CE2-CD2 4.47Å; F477-L505 HydrophobicContact CG-CD1 4.48Å; F477-L505 HydrophobicContact CG-CD2 3.57Å; I489-L505 HydrophobicContact CD1-CD1 3.94Å; V498-L505 HydrophobicContact CG1-CB 3.99Å; V502-L505 HydrophobicContact CB-CB 4.44Å; V502-L505 HydrophobicContact CB-CD1 4.2Å; V502-L505 HydrophobicContact CB-CG 4.39Å; V502-L505 HydrophobicContact CG1-CB 4.19Å; V502-L505 HydrophobicContact CG1-CD1 3.72Å; V502-L505 HydrophobicContact CG1-CG 3.7Å; V502-L505 PolarHBondContact O-N 3.49Å; L505-K507 VanDerWaalsContact C-N 3.3Å; L505-K507 PolarHBondContact O-N 2.82Å; L505-F508 WeakPolarHBondContact O-CA 3.26Å; L505-F508 VanDerWaalsContact O-CB 3.31Å; L505-F508 WeakPolarHBondContact O-CB 3.46Å; L505-F508 PolarHBondContact O-N 3.39Å; L505-L509 HydrophobicContact CB-CD1 4.47Å; L505-L509 VanDerWaalsContact O-CG 3.29Å; L505-L509 WeakPolarHBondContact O-CG 3.5Å; L505-L509 PolarHBondContact O-N 2.84Å
506	D	70.3	Confident	74.7	Confident	67 Å²	67	71.5 Å²	71.5	36%	0.358	37%	0.373	S	S	.	.	H	α-helix	trans	-53.8	-45.9	176.1	-178.5	61	0	0	0	112.3	V498 P499 V502 F508 A510	V498-D506 HydrophobicContact CG1-CB 4.34Å; P499-D506 HydrophobicContact CB-CB 4.47Å; V502-D506 PolarHBondContact O-N 3.41Å; D506-F508 VanDerWaalsContact C-N 3.27Å; D506-F508 PolarHBondContact O-N 3.29Å; D506-A510 VanDerWaalsContact O-CB 3.27Å; D506-A510 WeakPolarHBondContact O-CB 3.4Å; D506-A510 PolarHBondContact O-N 2.88Å
507	K	61.6	Low	73.4	Confident	162 Å²	162	75.3 Å²	75.3	70%	0.704	39%	0.393	S	S	*	.	H	α-helix	trans	-65.7	-26.6	175.7	-73.6	-179.7	179	177.8	0	114.6	L505	L505-K507 VanDerWaalsContact C-N 3.3Å; L505-K507 PolarHBondContact O-N 2.82Å
508	F	63.7	Low	72.2	Confident	57 Å²	57	75.9 Å²	75.9	25%	0.25	39%	0.388	C	S	.	.	H	α-helix	trans	-79.4	-47.9	-179.9	-171.6	-96	0	0	0	110.1	Y245 E249 F477 L505 D506 A510 S511	Y245-F508 AromaticContact CE2-CE1 3.94Å; Y245-F508 HydrophobicContact CE2-CE1 3.94Å; Y245-F508 HydrophobicContact CE2-CZ 4.31Å; Y245-F508 AromaticContact CZ-CE1 3.88Å; Y245-F508 AromaticContact CZ-CZ 3.77Å; Y245-F508 VanDerWaalsContact OH-CE1 3.26Å; Y245-F508 WeakPolarHBondContact OH-CE1 3.24Å; Y245-F508 WeakPolarHBondContact OH-CZ 3.42Å; E249-F508 WeakPolarHBondContact OE2-CE2 3.42Å; E249-F508 VanDerWaalsContact OE2-CZ 3.25Å; E249-F508 WeakPolarHBondContact OE2-CZ 3.34Å; F477-F508 AromaticContact CE1-CD1 3.92Å; F477-F508 HydrophobicContact CE1-CD1 3.92Å; F477-F508 AromaticContact CE1-CE1 3.44Å; F477-F508 HydrophobicContact CE1-CE1 3.44Å; F477-F508 VanDerWaalsContact CE1-CE1 3.44Å; F477-F508 HydrophobicContact CE1-CZ 4.08Å; F477-F508 HydrophobicContact CZ-CD1 4.05Å; F477-F508 AromaticContact CZ-CE1 3.74Å; F477-F508 HydrophobicContact CZ-CE1 3.74Å; L505-F508 WeakPolarHBondContact O-CA 3.26Å; L505-F508 VanDerWaalsContact O-CB 3.31Å; L505-F508 WeakPolarHBondContact O-CB 3.46Å; L505-F508 PolarHBondContact O-N 3.39Å; D506-F508 VanDerWaalsContact C-N 3.27Å; D506-F508 PolarHBondContact O-N 3.29Å; F508-A510 VanDerWaalsContact C-N 3.31Å; F508-A510 PolarHBondContact O-N 2.97Å; F508-S511 PolarHBondContact O-N 3.37Å; F508-S511 PolarHBondContact O-OG 3Å
509	L	64.3	Low	71.1	Confident	36 Å²	36	81 Å²	81	19%	0.188	41%	0.414	C	S	.	.	H	α-helix	trans	-67.1	-30.7	177.1	-61.4	166.6	0	0	0	112.5	L486 L505 S511 E512	L486-L509 HydrophobicContact CD1-CD1 3.59Å; L486-L509 HydrophobicContact CD2-CD1 3.52Å; L486-L509 HydrophobicContact CD2-CD2 3.71Å; L486-L509 HydrophobicContact CD2-CG 4.24Å; L486-L509 HydrophobicContact CG-CD1 4.19Å; L505-L509 HydrophobicContact CB-CD1 4.47Å; L505-L509 VanDerWaalsContact O-CG 3.29Å; L505-L509 WeakPolarHBondContact O-CG 3.5Å; L505-L509 PolarHBondContact O-N 2.84Å; L509-S511 PolarHBondContact O-N 3.15Å; L509-S511 VanDerWaalsContact O-N 3.09Å; L509-E512 PolarHBondContact O-N 3.34Å; L509-E512 VanDerWaalsContact O-N 3.17Å
510	A	58.9	Low	69.8	Low	82 Å²	82	81.4 Å²	81.4	68%	0.678	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	0.3	170.1	0	0	0	0	0	114.2	D506 F508	D506-A510 VanDerWaalsContact O-CB 3.27Å; D506-A510 WeakPolarHBondContact O-CB 3.4Å; D506-A510 PolarHBondContact O-N 2.88Å; F508-A510 VanDerWaalsContact C-N 3.31Å; F508-A510 PolarHBondContact O-N 2.97Å
511	S	51.9	Low	68.4	Low	90 Å²	90	73.7 Å²	73.7	63%	0.629	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	0.2	172.1	69.8	0	0	0	0	114.7	F508 L509	F508-S511 PolarHBondContact O-N 3.37Å; F508-S511 PolarHBondContact O-OG 3Å; L509-S511 PolarHBondContact O-N 3.15Å; L509-S511 VanDerWaalsContact O-N 3.09Å
512	E	47.1	Very low	66.9	Low	156 Å²	156	79.8 Å²	79.8	73%	0.729	42%	0.417	S	S	*	.			trans	-76.9	0	160.4	-77.7	-174	171.9	0	0	111.5	I247 L509	I247-E512 HydrophobicContact CD1-CG 3.32Å; I247-E512 HydrophobicContact CG1-CG 4.1Å; L509-E512 PolarHBondContact O-N 3.34Å; L509-E512 VanDerWaalsContact O-N 3.17Å

Retrieved 512 of 512 residues in 157.4 ms (Link to these results)

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