A0A3Q0KC36_SCHMA Loading...

Adenosine kinase

ATP dependent phosphorylation of adenosine and other related nucleoside analogs to monophosphate derivatives.

AlphaFold DB , UniProt , Accession A0A3Q0KC36, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 341 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	97.8	Very high	97.5	Very high	17 Å²	17	15.4 Å²	15.4	8%	0.084	8%	0.081	C	C	.	.				0	140.3	0	177	-176	67.1	0	0	107.2	T55 V75 L133 I138 I155 V159 M167 I170	M1-T55 WeakPolarHBondContact O-CG2 3.4Å; M1-V75 CarbonylContact C-O 3.56Å; M1-V75 WeakPolarHBondContact CA-O 3.47Å; M1-V75 HydrophobicContact CB-CB 4.43Å; M1-V75 HydrophobicContact CG-CB 4.43Å; M1-L133 HydrophobicContact CG-CD2 3.83Å; M1-L133 HydrophobicContact SD-CD2 3.91Å; M1-I138 HydrophobicContact SD-CD1 3.44Å; M1-I138 WeakPolarHBondContact SD-CD1 3.44Å; M1-I138 HydrophobicContact SD-CG1 4.23Å; M1-I155 HydrophobicContact CB-CD1 4.3Å; M1-I155 HydrophobicContact CE-CD1 3.88Å; M1-I155 HydrophobicContact CE-CG2 4.47Å; M1-V159 HydrophobicContact CE-CG1 3.63Å; M1-M167 HydrophobicContact CE-CB 3.58Å; M1-M167 HydrophobicContact CE-CG 4.39Å; M1-M167 VanDerWaalsContact CE-N 3.33Å; M1-I170 HydrophobicContact CB-CD1 4.25Å; M1-I170 HydrophobicContact CE-CD1 4.09Å; M1-I170 HydrophobicContact SD-CD1 3.85Å
2	G	98.2	Very high	97.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.			trans	-169.6	-173	-176.3	0	0	0	0	0	113.5	P4 Y74 V75	G2-P4 WeakPolarHBondContact O-CD 3.37Å; G2-Y74 VanDerWaalsContact CA-OH 3.27Å; G2-Y74 WeakPolarHBondContact CA-OH 3.36Å; G2-Y74 PolarHBondContact O-OH 3.43Å; G2-V75 PolarHBondContact N-O 2.89Å
3	N	98.5	Very high	96.8	Very high	10 Å²	10	18.8 Å²	18.8	5%	0.053	10%	0.103	C	C	.	.			trans	-96.3	101.3	175.5	-58.3	-22.5	0	0	0	108.6	L5 G53 Y74 A130 F158 T162	N3-L5 HydrophobicContact CB-CD1 4.31Å; N3-L5 HydrophobicContact CB-CD2 4.4Å; N3-L5 HydrophobicContact CB-CG 4.24Å; N3-L5 PolarHBondContact O-N 3.11Å; N3-G53 WeakPolarHBondContact O-CA 3.48Å; N3-Y74 PolarHBondContact N-OH 2.69Å; N3-A130 HydrophobicContact CB-CB 3.94Å; N3-F158 PolarHBondContact ND2-O 3.26Å; N3-T162 WeakPolarHBondContact OD1-CG2 3.36Å; N3-T162 PolarHBondContact OD1-OG1 3.29Å
4	P	98.4	Very high	96.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.			trans	-72.6	119.7	171.9	30	-32.6	0	0	0	109.5	G2 L56 Y74 C77 I78 I87 F100	G2-P4 WeakPolarHBondContact O-CD 3.37Å; P4-L56 HydrophobicContact CB-CD2 4.32Å; P4-Y74 HydrophobicContact CB-CE1 4.13Å; P4-Y74 HydrophobicContact CG-CE1 4.3Å; P4-C77 VanDerWaalsContact CG-O 3.29Å; P4-C77 WeakPolarHBondContact CG-O 3.46Å; P4-I78 HydrophobicContact CB-CG2 3.92Å; P4-I78 HydrophobicContact CG-CG2 3.48Å; P4-I78 VanDerWaalsContact CG-CG2 3.48Å; P4-I87 HydrophobicContact CB-CD1 4.38Å; P4-I87 HydrophobicContact CB-CG2 4.07Å; P4-F100 HydrophobicContact CB-CE1 3.82Å; P4-F100 HydrophobicContact CG-CD1 4.16Å; P4-F100 HydrophobicContact CG-CE1 3.85Å
5	L	98.5	Very high	96.4	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.052	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.1	-173.8	-56.9	171.1	0	0	0	110.3	N3 G52 I87 G110 V112 T125 A130	N3-L5 HydrophobicContact CB-CD1 4.31Å; N3-L5 HydrophobicContact CB-CD2 4.4Å; N3-L5 HydrophobicContact CB-CG 4.24Å; N3-L5 PolarHBondContact O-N 3.11Å; L5-G52 PolarHBondContact N-O 3.5Å; L5-G52 CarbonylContact O-C 3.58Å; L5-G52 WeakPolarHBondContact O-CA 3.35Å; L5-G52 PolarHBondContact O-N 2.96Å; L5-I87 WeakPolarHBondContact O-CD1 3.41Å; L5-G110 WeakPolarHBondContact CA-O 3.21Å; L5-V112 HydrophobicContact CB-CG2 3.98Å; L5-V112 HydrophobicContact CD1-CG2 3.56Å; L5-V112 HydrophobicContact CG-CG2 4.36Å; L5-T125 HydrophobicContact CD1-CG2 3.81Å; L5-A130 HydrophobicContact CD2-CB 4.43Å
6	L	98.3	Very high	96.3	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.058	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.2	165.1	-172	80.7	0	0	0	109.2	I8 Y49 Q83 Y86 G110 K111 V112	L6-I8 HydrophobicContact CD2-CG1 4.22Å; L6-Y49 HydrophobicContact CD2-CD1 3.66Å; L6-Y49 HydrophobicContact CD2-CE1 4.37Å; L6-Y49 HydrophobicContact CG-CD1 4.35Å; L6-Q83 HydrophobicContact CD2-CB 4.45Å; L6-Q83 HydrophobicContact CD2-CG 3.61Å; L6-Q83 HydrophobicContact CG-CG 4.49Å; L6-Y86 HydrophobicContact CD1-CD1 3.72Å; L6-Y86 HydrophobicContact CD1-CE1 3.93Å; L6-G110 PolarHBondContact N-O 3.03Å; L6-K111 CarbonylContact O-C 3.48Å; L6-K111 WeakPolarHBondContact O-CA 3.01Å; L6-K111 WeakPolarHBondContact O-CB 3.14Å; L6-V112 PolarHBondContact O-N 3.24Å
7	D	98	Very high	96.3	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.027	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.9	172.9	-62.1	-5.1	0	0	0	108.4	L9 Y49 V50 V112 V114	D7-L9 HydrophobicContact CB-CD1 3.88Å; D7-Y49 WeakPolarHBondContact O-CA 3.4Å; D7-V50 HydrophobicContact CB-CG2 3.66Å; D7-V50 PolarHBondContact N-O 3.45Å; D7-V50 PolarHBondContact O-N 3.47Å; D7-V112 WeakPolarHBondContact OD1-CG2 3.48Å; D7-V114 HydrophobicContact CB-CG2 4.01Å
8	I	97.9	Very high	96.3	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	97.2	178	-48.8	176.2	0	0	0	106.5	L6 Y38 I41 Q42 V47 K48 Y49 K111 V112 V114	L6-I8 HydrophobicContact CD2-CG1 4.22Å; I8-Y38 HydrophobicContact CD1-CD1 4.45Å; I8-I41 HydrophobicContact CB-CD1 3.77Å; I8-I41 HydrophobicContact CB-CG1 4.5Å; I8-I41 HydrophobicContact CG2-CD1 3.58Å; I8-I41 HydrophobicContact CG2-CG1 3.78Å; I8-Q42 HydrophobicContact CD1-CG 4.29Å; I8-Q42 HydrophobicContact CG2-CG 4.22Å; I8-V47 HydrophobicContact CG2-CG2 3.49Å; I8-V47 VanDerWaalsContact CG2-CG2 3.49Å; I8-K48 CarbonylContact C-O 3.57Å; I8-K48 WeakPolarHBondContact CA-O 3.42Å; I8-Y49 HydrophobicContact CB-CD1 4.49Å; I8-Y49 HydrophobicContact CB-CE1 4.46Å; I8-Y49 HydrophobicContact CD1-CE1 4.31Å; I8-Y49 HydrophobicContact CG1-CD1 3.99Å; I8-Y49 HydrophobicContact CG1-CE1 4.03Å; I8-Y49 HydrophobicContact CG2-CD1 4.21Å; I8-Y49 HydrophobicContact CG2-CE1 3.81Å; I8-K111 HydrophobicContact CD1-CB 4.25Å; I8-K111 HydrophobicContact CD1-CD 4.15Å; I8-V112 PolarHBondContact N-O 2.59Å; I8-V114 PolarHBondContact O-N 3.08Å
9	L	96.7	Very high	96.3	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139	-174.7	-60.8	85.8	0	0	0	110.5	D7 V47 K48 V50 V114 N287	D7-L9 HydrophobicContact CB-CD1 3.88Å; L9-V47 CarbonylContact O-C 3.51Å; L9-V47 WeakPolarHBondContact O-CA 3.18Å; L9-K48 HydrophobicContact CB-CB 4.32Å; L9-K48 PolarHBondContact N-O 2.65Å; L9-K48 PolarHBondContact O-N 2.94Å; L9-V50 HydrophobicContact CD1-CG1 4.33Å; L9-V50 HydrophobicContact CD1-CG2 3.55Å; L9-V114 WeakPolarHBondContact CA-O 3.2Å; L9-V114 HydrophobicContact CB-CB 4.47Å; L9-V114 HydrophobicContact CD2-CG1 4.28Å; L9-V114 HydrophobicContact CG-CB 3.95Å; L9-V114 HydrophobicContact CG-CG1 4.03Å; L9-V114 HydrophobicContact CG-CG2 4.5Å; L9-N287 HydrophobicContact CD2-CB 4.45Å
10	V	96.2	Very high	96.3	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	149.9	175.2	71.7	0	0	0	0	110.2	A12 I41 R44 D46 V114 L115 I116	V10-A12 PolarHBondContact O-N 2.72Å; V10-I41 HydrophobicContact CB-CB 4.38Å; V10-I41 HydrophobicContact CG1-CB 3.93Å; V10-I41 HydrophobicContact CG1-CG2 3.67Å; V10-R44 HydrophobicContact CG2-CB 3.58Å; V10-R44 HydrophobicContact CG2-CG 3.79Å; V10-D46 WeakPolarHBondContact CG2-OD2 3.45Å; V10-V114 PolarHBondContact N-O 3.38Å; V10-V114 VanDerWaalsContact N-O 3.1Å; V10-L115 HydrophobicContact CG1-CD2 3.83Å; V10-I116 PolarHBondContact O-N 2.83Å
11	D	94.4	Very high	96.4	Very high	106 Å²	106	43.3 Å²	43.3	57%	0.567	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	122.5	165.3	-67.1	-30.1	0	0	0	108.6	D46	D11-D46 PolarHBondContact N-OD2 2.93Å
12	A	93.6	Very high	96.3	Very high	13 Å²	13	43.5 Å²	43.5	11%	0.107	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-103.6	139	-176.6	0	0	0	0	0	111.3	V10 M16 Y17 L115 I116	V10-A12 PolarHBondContact O-N 2.72Å; A12-M16 HydrophobicContact CB-SD 4.27Å; A12-Y17 HydrophobicContact CB-CE2 3.8Å; A12-L115 HydrophobicContact CB-CB 3.62Å; A12-L115 HydrophobicContact CB-CD1 4.31Å; A12-L115 HydrophobicContact CB-CD2 4.16Å; A12-L115 HydrophobicContact CB-CG 4.24Å; A12-I116 PolarHBondContact N-O 3.4Å
13	D	92.2	Very high	96	Very high	62 Å²	62	50 Å²	50	33%	0.332	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-97.4	163	170.9	51.4	32.5	0	0	0	110.5	Y15 M16 Y17 R44	D13-Y15 PolarHBondContact O-N 3.33Å; D13-Y15 VanDerWaalsContact O-N 3.14Å; D13-Y15 WeakPolarHBondContact OD1-CB 3.43Å; D13-M16 PolarHBondContact O-N 2.56Å; D13-M16 WeakPolarHBondContact OD1-CG 3.14Å; D13-M16 PolarHBondContact OD1-N 3.21Å; D13-Y17 WeakPolarHBondContact O-CD2 3.39Å; D13-R44 VanDerWaalsContact CG-NH2 3.26Å; D13-R44 IonicContact OD1-NH2 3.12Å; D13-R44 PolarHBondContact OD1-NH2 3.17Å; D13-R44 IonicContact OD2-CZ 3.38Å; D13-R44 IonicContact OD2-NH1 2.71Å; D13-R44 IonicContact OD2-NH2 3.95Å; D13-R44 PolarHBondContact OD2-NH2 2.97Å
14	D	93.6	Very high	95.7	Very high	89 Å²	89	53.6 Å²	53.6	48%	0.476	25%	0.251	S	S	.	.	H	α-helix	trans	-58	-28.4	-179.5	-67.7	-27.5	0	0	0	112.2	M16 Y17 E18 K24	D14-M16 VanDerWaalsContact C-N 3.32Å; D14-M16 PolarHBondContact O-N 2.94Å; D14-Y17 PolarHBondContact O-N 2.95Å; D14-Y17 VanDerWaalsContact O-N 3.13Å; D14-E18 WeakPolarHBondContact O-CG 3.25Å; D14-E18 PolarHBondContact O-N 3.45Å; D14-K24 VanDerWaalsContact OD1-CE 3.28Å; D14-K24 WeakPolarHBondContact OD1-CE 3.41Å; D14-K24 IonicContact OD1-NZ 2.88Å; D14-K24 PolarHBondContact OD1-NZ 2.99Å
15	Y	94.5	Very high	95.3	Very high	122 Å²	122	56.6 Å²	56.6	48%	0.478	27%	0.267	S	S	.	.	H	α-helix	trans	-57.4	-41.8	173.8	168.2	-98.2	0	0	0	112.5	D13 Y17 E18 R19	D13-Y15 PolarHBondContact O-N 3.33Å; D13-Y15 VanDerWaalsContact O-N 3.14Å; D13-Y15 WeakPolarHBondContact OD1-CB 3.43Å; Y15-Y17 VanDerWaalsContact C-N 3.33Å; Y15-Y17 PolarHBondContact O-N 2.94Å; Y15-E18 PolarHBondContact O-N 3.19Å; Y15-R19 WeakPolarHBondContact O-CB 3.32Å; Y15-R19 PolarHBondContact O-N 2.54Å; Y15-R19 WeakPolarHBondContact OH-CD 3.15Å; Y15-R19 PolarHBondContact OH-NH1 3.38Å
16	M	94.4	Very high	94.9	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-38.4	177	-71.4	-168.4	76.9	0	0	112.1	A12 D13 D14 Y20 I37 I41 L115	A12-M16 HydrophobicContact CB-SD 4.27Å; D13-M16 PolarHBondContact O-N 2.56Å; D13-M16 WeakPolarHBondContact OD1-CG 3.14Å; D13-M16 PolarHBondContact OD1-N 3.21Å; D14-M16 VanDerWaalsContact C-N 3.32Å; D14-M16 PolarHBondContact O-N 2.94Å; M16-Y20 HydrophobicContact CE-CE2 4.43Å; M16-Y20 WeakPolarHBondContact O-CD2 3.29Å; M16-Y20 PolarHBondContact O-N 3.38Å; M16-I37 HydrophobicContact CE-CG1 4.07Å; M16-I41 HydrophobicContact CE-CG2 3.26Å; M16-I41 HydrophobicContact SD-CG2 4.38Å; M16-L115 HydrophobicContact CE-CD2 3.81Å; M16-L115 HydrophobicContact SD-CD2 4.36Å
17	Y	95.7	Very high	94.6	Very high	14 Å²	14	58 Å²	58	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-66.3	-45.3	177.5	-69.3	-83.5	0	0	0	111.6	A12 D13 D14 Y15 E21 L22 K24 L115 S117 S122	A12-Y17 HydrophobicContact CB-CE2 3.8Å; D13-Y17 WeakPolarHBondContact O-CD2 3.39Å; D14-Y17 PolarHBondContact O-N 2.95Å; D14-Y17 VanDerWaalsContact O-N 3.13Å; Y15-Y17 VanDerWaalsContact C-N 3.33Å; Y15-Y17 PolarHBondContact O-N 2.94Å; Y17-E21 WeakPolarHBondContact O-CA 3.45Å; Y17-E21 PolarHBondContact O-N 3.2Å; Y17-L22 HydrophobicContact CD1-CB 3.93Å; Y17-L22 PolarHBondContact O-N 2.9Å; Y17-K24 HydrophobicContact CD1-CG 3.98Å; Y17-K24 HydrophobicContact CE1-CB 4.47Å; Y17-K24 HydrophobicContact CE1-CG 3.78Å; Y17-K24 HydrophobicContact CE2-CG 4.4Å; Y17-K24 HydrophobicContact CG-CG 4.38Å; Y17-L115 HydrophobicContact CE1-CD1 4.34Å; Y17-L115 PolarHBondContact OH-O 3.48Å; Y17-S117 WeakPolarHBondContact OH-CB 3.22Å; Y17-S122 WeakPolarHBondContact CE1-OG 3.36Å
18	E	96.1	Very high	94.5	Very high	150 Å²	150	60 Å²	60	70%	0.701	29%	0.287	S	S	*	.	H	α-helix	trans	-63.9	-45.6	176.4	-69.9	177.2	-177.1	0	0	111.7	D14 Y15 Y20 E21	D14-E18 WeakPolarHBondContact O-CG 3.25Å; D14-E18 PolarHBondContact O-N 3.45Å; Y15-E18 PolarHBondContact O-N 3.19Å; E18-Y20 VanDerWaalsContact C-N 3.3Å; E18-Y20 PolarHBondContact O-N 2.9Å; E18-E21 PolarHBondContact O-N 3.28Å
19	R	96.7	Very high	94.4	Very high	120 Å²	120	62.8 Å²	62.8	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-60.6	-37.7	-176.7	176.3	173.9	-172.2	161.5	-4.1	113.4	Y15 E40	Y15-R19 WeakPolarHBondContact O-CB 3.32Å; Y15-R19 PolarHBondContact O-N 2.54Å; Y15-R19 WeakPolarHBondContact OH-CD 3.15Å; Y15-R19 PolarHBondContact OH-NH1 3.38Å; R19-E40 IonicContact CZ-OE2 3.66Å; R19-E40 IonicContact NE-OE2 3.17Å; R19-E40 IonicContact NH1-OE1 3.65Å; R19-E40 IonicContact NH1-OE2 3.83Å; R19-E40 PolarHBondContact NH1-OE2 3.2Å; R19-E40 IonicContact NH2-OE2 2.74Å
20	Y	97.2	Very high	94.5	Very high	9 Å²	9	63.6 Å²	63.6	4%	0.035	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	12.6	-175.9	-65.9	-70.7	0	0	0	112.6	M16 E18 L22 H34 A36 I37 E40	M16-Y20 HydrophobicContact CE-CE2 4.43Å; M16-Y20 WeakPolarHBondContact O-CD2 3.29Å; M16-Y20 PolarHBondContact O-N 3.38Å; E18-Y20 VanDerWaalsContact C-N 3.3Å; E18-Y20 PolarHBondContact O-N 2.9Å; Y20-L22 WeakPolarHBondContact O-CD2 3.45Å; Y20-L22 WeakPolarHBondContact O-CG 3.39Å; Y20-L22 PolarHBondContact O-N 3.04Å; Y20-H34 PolarHBondContact O-NE2 2.61Å; Y20-A36 HydrophobicContact CE1-CB 4.2Å; Y20-A36 VanDerWaalsContact OH-C 3.27Å; Y20-A36 PolarHBondContact OH-O 3.14Å; Y20-I37 HydrophobicContact CD1-CB 4.21Å; Y20-I37 HydrophobicContact CD2-CB 4.25Å; Y20-I37 HydrophobicContact CD2-CD1 3.9Å; Y20-I37 HydrophobicContact CD2-CG1 3.88Å; Y20-I37 HydrophobicContact CE1-CB 3.85Å; Y20-I37 HydrophobicContact CE2-CB 3.92Å; Y20-I37 HydrophobicContact CE2-CD1 4.26Å; Y20-I37 HydrophobicContact CE2-CG1 3.71Å; Y20-I37 HydrophobicContact CG-CB 4.4Å; Y20-I37 HydrophobicContact CG-CD1 4.19Å; Y20-I37 HydrophobicContact CG-CG1 4.39Å; Y20-I37 VanDerWaalsContact CZ-CA 3.45Å; Y20-I37 VanDerWaalsContact OH-CA 3.31Å; Y20-I37 WeakPolarHBondContact OH-CA 3.29Å; Y20-I37 PolarHBondContact OH-N 3.08Å; Y20-E40 PolarHBondContact OH-OE2 3.44Å
21	E	96.8	Very high	94.5	Very high	162 Å²	162	69.6 Å²	69.6	76%	0.757	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.6	179.1	-57	-170.4	-174.2	0	0	113.9	Y17 E18	Y17-E21 WeakPolarHBondContact O-CA 3.45Å; Y17-E21 PolarHBondContact O-N 3.2Å; E18-E21 PolarHBondContact O-N 3.28Å
22	L	95.9	Very high	94.6	Very high	21 Å²	21	73 Å²	73	11%	0.11	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-95.2	141.4	-173.6	-58.2	176.2	0	0	0	112.2	Y17 Y20 I28 I37 L115 V124	Y17-L22 HydrophobicContact CD1-CB 3.93Å; Y17-L22 PolarHBondContact O-N 2.9Å; Y20-L22 WeakPolarHBondContact O-CD2 3.45Å; Y20-L22 WeakPolarHBondContact O-CG 3.39Å; Y20-L22 PolarHBondContact O-N 3.04Å; L22-I28 HydrophobicContact CD2-CD1 3.48Å; L22-I28 VanDerWaalsContact CD2-CD1 3.48Å; L22-I28 HydrophobicContact CD2-CG1 4.34Å; L22-I37 HydrophobicContact CD1-CD1 3.98Å; L22-L115 HydrophobicContact CD1-CD1 3.54Å; L22-V124 HydrophobicContact CD1-CG2 3.55Å; L22-V124 HydrophobicContact CD2-CG2 3.57Å; L22-V124 HydrophobicContact CG-CG2 4.22Å
23	Q	93.3	Very high	94.7	Very high	136 Å²	136	78.1 Å²	78.1	64%	0.636	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-83.7	143	166.6	-67.1	178.7	-20	0	0	111	N26 S122	Q23-N26 HydrophobicContact CB-CB 3.96Å; Q23-N26 PolarHBondContact OE1-ND2 2.79Å; Q23-N26 VanDerWaalsContact OE1-ND2 3.14Å; Q23-S122 PolarHBondContact O-OG 3.42Å
24	K	91.2	Very high	95	Very high	85 Å²	85	75.5 Å²	75.5	37%	0.37	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	146.5	169.1	-69.7	-174.2	173.4	178.7	0	110	D14 Y17 N26 E118 S122	D14-K24 VanDerWaalsContact OD1-CE 3.28Å; D14-K24 WeakPolarHBondContact OD1-CE 3.41Å; D14-K24 IonicContact OD1-NZ 2.88Å; D14-K24 PolarHBondContact OD1-NZ 2.99Å; Y17-K24 HydrophobicContact CD1-CG 3.98Å; Y17-K24 HydrophobicContact CE1-CB 4.47Å; Y17-K24 HydrophobicContact CE1-CG 3.78Å; Y17-K24 HydrophobicContact CE2-CG 4.4Å; Y17-K24 HydrophobicContact CG-CG 4.38Å; K24-N26 VanDerWaalsContact C-N 3.3Å; K24-N26 PolarHBondContact O-N 3.39Å; K24-E118 IonicContact NZ-OE1 3.51Å; K24-S122 VanDerWaalsContact CA-OG 3.29Å; K24-S122 WeakPolarHBondContact CA-OG 3.21Å
25	D	89.5	Confident	95.2	Very high	64 Å²	64	74.5 Å²	74.5	34%	0.342	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	30.7	178.5	-150.7	48	0	0	0	116.3	L120 R121 S122	D25-L120 HydrophobicContact CB-CB 4.21Å; D25-L120 HydrophobicContact CB-CD1 4.12Å; D25-R121 CarbonylContact C-O 3.51Å; D25-R121 VanDerWaalsContact CA-O 3.32Å; D25-R121 WeakPolarHBondContact CA-O 3.41Å; D25-R121 PolarHBondContact O-NH1 3.23Å; D25-R121 IonicContact OD1-CZ 2.69Å; D25-R121 IonicContact OD1-NH1 3.44Å; D25-R121 PolarHBondContact OD1-NH1 2.96Å; D25-R121 IonicContact OD2-NH1 2.84Å; D25-R121 PolarHBondContact OD2-NH1 3.19Å; D25-S122 PolarHBondContact N-OG 3.47Å
26	N	90.5	Very high	95.3	Very high	40 Å²	40	71 Å²	71	21%	0.214	35%	0.345	C	S	.	.			trans	-123.8	161.4	-173.8	-165.3	14	0	0	0	113	Q23 K24 S122 M123	Q23-N26 HydrophobicContact CB-CB 3.96Å; Q23-N26 PolarHBondContact OE1-ND2 2.79Å; Q23-N26 VanDerWaalsContact OE1-ND2 3.14Å; K24-N26 VanDerWaalsContact C-N 3.3Å; K24-N26 PolarHBondContact O-N 3.39Å; N26-S122 CarbonylContact O-C 3.42Å; N26-S122 WeakPolarHBondContact O-CA 3.4Å; N26-M123 PolarHBondContact O-N 2.99Å
27	A	93.4	Very high	95.5	Very high	11 Å²	11	71 Å²	71	9%	0.091	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.4	177	0	0	0	0	0	111.4	M123 A187	A27-M123 WeakPolarHBondContact CA-O 3.37Å; A27-M123 HydrophobicContact CB-CB 4.14Å; A27-M123 HydrophobicContact CB-CE 3.66Å; A27-A187 HydrophobicContact CB-CB 4.47Å
28	I	95.5	Very high	95.6	Very high	47 Å²	47	70.3 Å²	70.3	24%	0.241	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	161.5	179	67.4	166.8	0	0	0	111.9	L22 H34 M123 V124 T125	L22-I28 HydrophobicContact CD2-CD1 3.48Å; L22-I28 VanDerWaalsContact CD2-CD1 3.48Å; L22-I28 HydrophobicContact CD2-CG1 4.34Å; I28-H34 WeakPolarHBondContact CD1-NE2 3.5Å; I28-M123 PolarHBondContact N-O 2.99Å; I28-V124 HydrophobicContact CD1-CG1 4.34Å; I28-V124 HydrophobicContact CD1-CG2 4.26Å; I28-V124 HydrophobicContact CG1-CB 4.41Å; I28-V124 HydrophobicContact CG1-CG1 4.25Å; I28-V124 HydrophobicContact CG1-CG2 4.09Å; I28-T125 PolarHBondContact O-N 3.33Å
29	L	96.1	Very high	95.6	Very high	60 Å²	60	67.7 Å²	67.7	31%	0.314	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	141.5	163.1	-64.5	179.7	0	0	0	109.3	T125 L127 N161 F189	L29-T125 WeakPolarHBondContact CA-O 3.4Å; L29-T125 HydrophobicContact CD2-CG2 4.32Å; L29-L127 HydrophobicContact CD1-CD1 4.33Å; L29-L127 HydrophobicContact CD2-CD1 3.8Å; L29-L127 HydrophobicContact CD2-CD2 4.24Å; L29-L127 HydrophobicContact CD2-CG 3.9Å; L29-N161 HydrophobicContact CD1-CB 4.25Å; L29-F189 HydrophobicContact CG-CZ 4.26Å
30	A	97.1	Very high	95.6	Very high	21 Å²	21	63.9 Å²	63.9	17%	0.174	32%	0.321	C	S	.	.			trans	-74.2	129.4	179.8	0	0	0	0	0	111	H34 M35 Y38 V124 T125	A30-H34 HydrophobicContact CB-CB 4.14Å; A30-M35 HydrophobicContact CB-SD 4.43Å; A30-Y38 HydrophobicContact CB-CE2 4.38Å; A30-Y38 WeakPolarHBondContact CB-OH 3.39Å; A30-V124 HydrophobicContact CB-CG1 3.75Å; A30-T125 WeakPolarHBondContact CB-O 3.32Å; A30-T125 PolarHBondContact N-O 2.99Å
31	E	96.4	Very high	95.6	Very high	129 Å²	129	63.5 Å²	63.5	60%	0.603	32%	0.319	S	S	*	.			trans	-99.4	-179.8	168.6	-54.3	-169.6	-165.6	0	0	111.1	E33 H34 M35	E31-E33 VanDerWaalsContact C-N 3.32Å; E31-E33 PolarHBondContact O-N 2.78Å; E31-H34 PolarHBondContact N-ND1 3.14Å; E31-H34 VanDerWaalsContact N-ND1 3.14Å; E31-H34 WeakPolarHBondContact O-CB 3.38Å; E31-H34 PolarHBondContact O-N 3.21Å; E31-M35 WeakPolarHBondContact O-CG 3.5Å; E31-M35 PolarHBondContact O-N 3.49Å
32	E	96.5	Very high	95.5	Very high	179 Å²	179	59.2 Å²	59.2	84%	0.836	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-56.7	-43.9	-176.2	-173.7	173	-178.8	0	0	112.7	H34 M35	E32-H34 PolarHBondContact O-N 3.48Å; E32-M35 WeakPolarHBondContact O-CB 3.29Å; E32-M35 WeakPolarHBondContact O-CG 3.26Å; E32-M35 PolarHBondContact O-N 2.85Å; E32-M35 VanDerWaalsContact O-N 3.11Å
33	E	96.6	Very high	95.5	Very high	119 Å²	119	66.2 Å²	66.2	56%	0.556	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-61.6	-27	177.9	65.1	-167	-175	0	0	113.6	E31	E31-E33 VanDerWaalsContact C-N 3.32Å; E31-E33 PolarHBondContact O-N 2.78Å
34	H	98	Very high	95.5	Very high	7 Å²	7	63.7 Å²	63.7	3%	0.032	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-81	-18.6	179.6	-59.4	97.2	0	0	0	112.4	Y20 I28 A30 E31 E32 A36 I37 V124	Y20-H34 PolarHBondContact O-NE2 2.61Å; I28-H34 WeakPolarHBondContact CD1-NE2 3.5Å; A30-H34 HydrophobicContact CB-CB 4.14Å; E31-H34 PolarHBondContact N-ND1 3.14Å; E31-H34 VanDerWaalsContact N-ND1 3.14Å; E31-H34 WeakPolarHBondContact O-CB 3.38Å; E31-H34 PolarHBondContact O-N 3.21Å; E32-H34 PolarHBondContact O-N 3.48Å; H34-A36 PolarHBondContact O-N 2.81Å; H34-I37 WeakPolarHBondContact O-CB 3.26Å; H34-I37 WeakPolarHBondContact O-CG2 3.36Å; H34-I37 PolarHBondContact O-N 2.85Å; H34-V124 HydrophobicContact CB-CG1 3.92Å
35	M	97.5	Very high	95.5	Very high	68 Å²	68	70 Å²	70	34%	0.335	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.6	-166.9	-67.4	-56.5	-64.8	0	0	114.2	A30 E31 E32 I37 Y38 Y126	A30-M35 HydrophobicContact CB-SD 4.43Å; E31-M35 WeakPolarHBondContact O-CG 3.5Å; E31-M35 PolarHBondContact O-N 3.49Å; E32-M35 WeakPolarHBondContact O-CB 3.29Å; E32-M35 WeakPolarHBondContact O-CG 3.26Å; E32-M35 PolarHBondContact O-N 2.85Å; E32-M35 VanDerWaalsContact O-N 3.11Å; M35-I37 PolarHBondContact O-N 2.63Å; M35-Y38 HydrophobicContact CE-CD2 4.47Å; M35-Y38 HydrophobicContact CE-CE2 4.27Å; M35-Y38 WeakPolarHBondContact O-CD2 3.23Å; M35-Y38 HydrophobicContact SD-CE2 4.05Å; M35-Y126 HydrophobicContact CE-CD2 3.88Å; M35-Y126 HydrophobicContact CE-CE2 4.01Å; M35-Y126 HydrophobicContact CE-CG 4.27Å; M35-Y126 HydrophobicContact SD-CD2 3.94Å; M35-Y126 HydrophobicContact SD-CE2 4.41Å
36	A	97.4	Very high	95.4	Very high	48 Å²	48	69.8 Å²	69.8	40%	0.397	34%	0.34	S	S	.	.	H	α-helix	trans	-66.6	-21.5	176.1	0	0	0	0	0	113.3	Y20 H34 Y38 D39 E40	Y20-A36 HydrophobicContact CE1-CB 4.2Å; Y20-A36 VanDerWaalsContact OH-C 3.27Å; Y20-A36 PolarHBondContact OH-O 3.14Å; H34-A36 PolarHBondContact O-N 2.81Å; A36-Y38 PolarHBondContact O-N 2.87Å; A36-D39 PolarHBondContact O-N 3.12Å; A36-E40 PolarHBondContact O-N 3.36Å; A36-E40 VanDerWaalsContact O-N 3.09Å
37	I	98	Very high	95.7	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-57.2	-39.9	-176.2	-161.8	171.5	0	0	0	111.7	M16 Y20 L22 H34 M35 D39 E40 I41 A113 L115 V124	M16-I37 HydrophobicContact CE-CG1 4.07Å; Y20-I37 HydrophobicContact CD1-CB 4.21Å; Y20-I37 HydrophobicContact CD2-CB 4.25Å; Y20-I37 HydrophobicContact CD2-CD1 3.9Å; Y20-I37 HydrophobicContact CD2-CG1 3.88Å; Y20-I37 HydrophobicContact CE1-CB 3.85Å; Y20-I37 HydrophobicContact CE2-CB 3.92Å; Y20-I37 HydrophobicContact CE2-CD1 4.26Å; Y20-I37 HydrophobicContact CE2-CG1 3.71Å; Y20-I37 HydrophobicContact CG-CB 4.4Å; Y20-I37 HydrophobicContact CG-CD1 4.19Å; Y20-I37 HydrophobicContact CG-CG1 4.39Å; Y20-I37 VanDerWaalsContact CZ-CA 3.45Å; Y20-I37 VanDerWaalsContact OH-CA 3.31Å; Y20-I37 WeakPolarHBondContact OH-CA 3.29Å; Y20-I37 PolarHBondContact OH-N 3.08Å; L22-I37 HydrophobicContact CD1-CD1 3.98Å; H34-I37 WeakPolarHBondContact O-CB 3.26Å; H34-I37 WeakPolarHBondContact O-CG2 3.36Å; H34-I37 PolarHBondContact O-N 2.85Å; M35-I37 PolarHBondContact O-N 2.63Å; I37-D39 PolarHBondContact O-N 2.96Å; I37-E40 PolarHBondContact O-N 2.88Å; I37-I41 HydrophobicContact CG1-CG2 4.17Å; I37-I41 WeakPolarHBondContact O-CG1 3.21Å; I37-I41 WeakPolarHBondContact O-CG2 3.35Å; I37-I41 PolarHBondContact O-N 3.16Å; I37-A113 HydrophobicContact CD1-CB 4.01Å; I37-A113 HydrophobicContact CG1-CB 4.24Å; I37-A113 HydrophobicContact CG2-CB 3.93Å; I37-L115 HydrophobicContact CD1-CD1 4.1Å; I37-L115 HydrophobicContact CD1-CD2 4.23Å; I37-L115 HydrophobicContact CD1-CG 4.42Å; I37-V124 HydrophobicContact CD1-CB 4.5Å; I37-V124 HydrophobicContact CD1-CG2 4.16Å
38	Y	97.7	Very high	95.8	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-65.7	-40.8	-176.4	-55.2	-70.1	0	0	0	111.5	I8 A30 M35 A36 E40 I41 Q42 K111 A113 V124 Y126	I8-Y38 HydrophobicContact CD1-CD1 4.45Å; A30-Y38 HydrophobicContact CB-CE2 4.38Å; A30-Y38 WeakPolarHBondContact CB-OH 3.39Å; M35-Y38 HydrophobicContact CE-CD2 4.47Å; M35-Y38 HydrophobicContact CE-CE2 4.27Å; M35-Y38 WeakPolarHBondContact O-CD2 3.23Å; M35-Y38 HydrophobicContact SD-CE2 4.05Å; A36-Y38 PolarHBondContact O-N 2.87Å; Y38-E40 VanDerWaalsContact C-N 3.32Å; Y38-I41 WeakPolarHBondContact O-CG1 3.16Å; Y38-Q42 WeakPolarHBondContact O-CB 3.17Å; Y38-Q42 WeakPolarHBondContact O-CG 3.19Å; Y38-Q42 PolarHBondContact O-N 3.38Å; Y38-Q42 PolarHBondContact O-NE2 3.13Å; Y38-K111 HydrophobicContact CD1-CD 3.64Å; Y38-K111 HydrophobicContact CD1-CG 3.93Å; Y38-K111 HydrophobicContact CD2-CD 4.4Å; Y38-K111 VanDerWaalsContact CD2-CE 3.46Å; Y38-K111 HydrophobicContact CE1-CD 4.06Å; Y38-K111 HydrophobicContact CE1-CG 3.83Å; Y38-K111 HydrophobicContact CG-CD 3.84Å; Y38-K111 HydrophobicContact CG-CG 4.49Å; Y38-K111 VanDerWaalsContact CG-NZ 3.3Å; Y38-A113 HydrophobicContact CD1-CB 4.08Å; Y38-A113 HydrophobicContact CE1-CB 3.87Å; Y38-V124 PolarHBondContact OH-O 3.42Å; Y38-Y126 WeakPolarHBondContact OH-CB 3.4Å; Y38-Y126 PolarHBondContact OH-N 3.03Å
39	D	96.5	Very high	95.8	Very high	95 Å²	95	76 Å²	76	51%	0.508	36%	0.362	S	S	.	.	H	α-helix	trans	-75.1	-27.3	179	-68.4	-17.8	0	0	0	111.5	A36 I37 K43	A36-D39 PolarHBondContact O-N 3.12Å; I37-D39 PolarHBondContact O-N 2.96Å; D39-K43 VanDerWaalsContact O-CD 3.23Å; D39-K43 WeakPolarHBondContact O-CD 3.4Å; D39-K43 VanDerWaalsContact O-CE 3.24Å; D39-K43 WeakPolarHBondContact O-CE 3.35Å; D39-K43 VanDerWaalsContact O-CG 3.26Å; D39-K43 WeakPolarHBondContact O-CG 3.46Å
40	E	96.7	Very high	95.8	Very high	41 Å²	41	74.1 Å²	74.1	19%	0.192	35%	0.353	C	S	.	.	H	α-helix	trans	-70.4	-51.8	174.7	-172.4	161	138	0	0	111.7	R19 Y20 A36 I37 Y38 Q42 K43	R19-E40 IonicContact CZ-OE2 3.66Å; R19-E40 IonicContact NE-OE2 3.17Å; R19-E40 IonicContact NH1-OE1 3.65Å; R19-E40 IonicContact NH1-OE2 3.83Å; R19-E40 PolarHBondContact NH1-OE2 3.2Å; R19-E40 IonicContact NH2-OE2 2.74Å; Y20-E40 PolarHBondContact OH-OE2 3.44Å; A36-E40 PolarHBondContact O-N 3.36Å; A36-E40 VanDerWaalsContact O-N 3.09Å; I37-E40 PolarHBondContact O-N 2.88Å; Y38-E40 VanDerWaalsContact C-N 3.32Å; E40-Q42 VanDerWaalsContact C-N 3.33Å; E40-Q42 PolarHBondContact O-N 3.33Å; E40-K43 WeakPolarHBondContact O-CB 3.19Å; E40-K43 PolarHBondContact O-N 2.9Å; E40-K43 VanDerWaalsContact O-N 3.16Å
41	I	96.7	Very high	95.8	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.1	-34.2	-179	67.1	-174.3	0	0	0	112.6	I8 V10 M16 I37 Y38 K43 R44 A113 L115	I8-I41 HydrophobicContact CB-CD1 3.77Å; I8-I41 HydrophobicContact CB-CG1 4.5Å; I8-I41 HydrophobicContact CG2-CD1 3.58Å; I8-I41 HydrophobicContact CG2-CG1 3.78Å; V10-I41 HydrophobicContact CB-CB 4.38Å; V10-I41 HydrophobicContact CG1-CB 3.93Å; V10-I41 HydrophobicContact CG1-CG2 3.67Å; M16-I41 HydrophobicContact CE-CG2 3.26Å; M16-I41 HydrophobicContact SD-CG2 4.38Å; I37-I41 HydrophobicContact CG1-CG2 4.17Å; I37-I41 WeakPolarHBondContact O-CG1 3.21Å; I37-I41 WeakPolarHBondContact O-CG2 3.35Å; I37-I41 PolarHBondContact O-N 3.16Å; Y38-I41 WeakPolarHBondContact O-CG1 3.16Å; I41-K43 PolarHBondContact O-N 3.39Å; I41-R44 WeakPolarHBondContact O-CB 3.39Å; I41-R44 PolarHBondContact O-N 3.24Å; I41-R44 VanDerWaalsContact O-N 3.1Å; I41-A113 HydrophobicContact CD1-CB 3.49Å; I41-A113 VanDerWaalsContact CD1-CB 3.49Å; I41-L115 HydrophobicContact CG2-CD2 4.03Å
42	Q	96	Very high	95.9	Very high	72 Å²	72	67 Å²	67	34%	0.336	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.9	178.5	-73.3	176.1	95.5	0	0	113	I8 Y38 E40 Y49	I8-Q42 HydrophobicContact CD1-CG 4.29Å; I8-Q42 HydrophobicContact CG2-CG 4.22Å; Y38-Q42 WeakPolarHBondContact O-CB 3.17Å; Y38-Q42 WeakPolarHBondContact O-CG 3.19Å; Y38-Q42 PolarHBondContact O-N 3.38Å; Y38-Q42 PolarHBondContact O-NE2 3.13Å; E40-Q42 VanDerWaalsContact C-N 3.33Å; E40-Q42 PolarHBondContact O-N 3.33Å; Q42-Y49 HydrophobicContact CG-CE1 4.27Å; Q42-Y49 WeakPolarHBondContact CG-OH 3.22Å
43	K	95.4	Very high	95.9	Very high	169 Å²	169	58.7 Å²	58.7	74%	0.735	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.9	176	-67.3	165.2	-171.5	166.5	0	113	D39 E40 I41	D39-K43 VanDerWaalsContact O-CD 3.23Å; D39-K43 WeakPolarHBondContact O-CD 3.4Å; D39-K43 VanDerWaalsContact O-CE 3.24Å; D39-K43 WeakPolarHBondContact O-CE 3.35Å; D39-K43 VanDerWaalsContact O-CG 3.26Å; D39-K43 WeakPolarHBondContact O-CG 3.46Å; E40-K43 WeakPolarHBondContact O-CB 3.19Å; E40-K43 PolarHBondContact O-N 2.9Å; E40-K43 VanDerWaalsContact O-N 3.16Å; I41-K43 PolarHBondContact O-N 3.39Å
44	R	93.8	Very high	96	Very high	83 Å²	83	53.9 Å²	53.9	31%	0.313	26%	0.26	S	S	.	.	S	Bend	trans	-74.3	149.3	178	-67.2	-86.7	-138.4	-165	0.7	110.4	V10 D13 I41 V47	V10-R44 HydrophobicContact CG2-CB 3.58Å; V10-R44 HydrophobicContact CG2-CG 3.79Å; D13-R44 VanDerWaalsContact CG-NH2 3.26Å; D13-R44 IonicContact OD1-NH2 3.12Å; D13-R44 PolarHBondContact OD1-NH2 3.17Å; D13-R44 IonicContact OD2-CZ 3.38Å; D13-R44 IonicContact OD2-NH1 2.71Å; D13-R44 IonicContact OD2-NH2 3.95Å; D13-R44 PolarHBondContact OD2-NH2 2.97Å; I41-R44 WeakPolarHBondContact O-CB 3.39Å; I41-R44 PolarHBondContact O-N 3.24Å; I41-R44 VanDerWaalsContact O-N 3.1Å; R44-V47 WeakPolarHBondContact O-CG1 3.31Å
45	K	89.6	Confident	96	Very high	216 Å²	216	53.7 Å²	53.7	94%	0.939	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-27.5	-172.5	-71	-176.1	178.5	178.2	0	113.3
46	D	88.3	Confident	96.1	Very high	61 Å²	61	50.5 Å²	50.5	33%	0.326	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3	-176.4	58.7	-59.2	0	0	0	113	V10 D11 K48	V10-D46 WeakPolarHBondContact CG2-OD2 3.45Å; D11-D46 PolarHBondContact N-OD2 2.93Å; D46-K48 PolarHBondContact O-N 3.19Å
47	V	95.7	Very high	96.1	Very high	31 Å²	31	48.3 Å²	48.3	19%	0.188	23%	0.225	C	C	.	.			trans	-58.6	134.9	-177.7	70	0	0	0	0	112	I8 L9 R44 Y49	I8-V47 HydrophobicContact CG2-CG2 3.49Å; I8-V47 VanDerWaalsContact CG2-CG2 3.49Å; L9-V47 CarbonylContact O-C 3.51Å; L9-V47 WeakPolarHBondContact O-CA 3.18Å; R44-V47 WeakPolarHBondContact O-CG1 3.31Å; V47-Y49 HydrophobicContact CG1-CE2 4.02Å; V47-Y49 HydrophobicContact CG2-CE2 4.17Å
48	K	95.7	Very high	96.2	Very high	104 Å²	104	48.3 Å²	48.3	45%	0.452	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.8	175.6	-66.1	170.7	-168.6	160.2	0	110.5	I8 L9 D46 S325	I8-K48 CarbonylContact C-O 3.57Å; I8-K48 WeakPolarHBondContact CA-O 3.42Å; L9-K48 HydrophobicContact CB-CB 4.32Å; L9-K48 PolarHBondContact N-O 2.65Å; L9-K48 PolarHBondContact O-N 2.94Å; D46-K48 PolarHBondContact O-N 3.19Å; K48-S325 WeakPolarHBondContact CD-OG 3.23Å; K48-S325 VanDerWaalsContact NZ-CB 3.3Å; K48-S325 PolarHBondContact NZ-OG 3.32Å
49	Y	96.5	Very high	96.2	Very high	92 Å²	92	48.8 Å²	48.8	36%	0.361	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128	178	-57.8	-89	0	0	0	109	L6 D7 I8 Q42 V47 Y86	L6-Y49 HydrophobicContact CD2-CD1 3.66Å; L6-Y49 HydrophobicContact CD2-CE1 4.37Å; L6-Y49 HydrophobicContact CG-CD1 4.35Å; D7-Y49 WeakPolarHBondContact O-CA 3.4Å; I8-Y49 HydrophobicContact CB-CD1 4.49Å; I8-Y49 HydrophobicContact CB-CE1 4.46Å; I8-Y49 HydrophobicContact CD1-CE1 4.31Å; I8-Y49 HydrophobicContact CG1-CD1 3.99Å; I8-Y49 HydrophobicContact CG1-CE1 4.03Å; I8-Y49 HydrophobicContact CG2-CD1 4.21Å; I8-Y49 HydrophobicContact CG2-CE1 3.81Å; Q42-Y49 HydrophobicContact CG-CE1 4.27Å; Q42-Y49 WeakPolarHBondContact CG-OH 3.22Å; V47-Y49 HydrophobicContact CG1-CE2 4.02Å; V47-Y49 HydrophobicContact CG2-CE2 4.17Å; Y49-Y86 PolarHBondContact O-OH 2.87Å
50	V	96.5	Very high	96.3	Very high	21 Å²	21	44.6 Å²	44.6	13%	0.127	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.8	174.2	-57.8	0	0	0	0	110.1	D7 L9 G52	D7-V50 HydrophobicContact CB-CG2 3.66Å; D7-V50 PolarHBondContact N-O 3.45Å; D7-V50 PolarHBondContact O-N 3.47Å; L9-V50 HydrophobicContact CD1-CG1 4.33Å; L9-V50 HydrophobicContact CD1-CG2 3.55Å; V50-G52 PolarHBondContact O-N 2.9Å
51	A	97.2	Very high	96.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122.7	171.6	0	0	0	0	0	108	K60 Y86 I87 D90	A51-K60 PolarHBondContact O-NZ 2.92Å; A51-Y86 HydrophobicContact CB-CD1 4.32Å; A51-Y86 HydrophobicContact CB-CE1 4.01Å; A51-I87 HydrophobicContact CB-CB 4.26Å; A51-I87 HydrophobicContact CB-CG1 3.86Å; A51-I87 HydrophobicContact CB-CG2 4.4Å; A51-D90 HydrophobicContact CB-CB 3.8Å; A51-D90 WeakPolarHBondContact CB-OD2 3.18Å
52	G	97.3	Very high	96.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	-160.3	-166.7	0	0	0	0	0	113.9	L5 V50 L56	L5-G52 PolarHBondContact N-O 3.5Å; L5-G52 CarbonylContact O-C 3.58Å; L5-G52 WeakPolarHBondContact O-CA 3.35Å; L5-G52 PolarHBondContact O-N 2.96Å; V50-G52 PolarHBondContact O-N 2.9Å; G52-L56 WeakPolarHBondContact O-CD2 3.37Å
53	G	97.4	Very high	96.4	Very high	5 Å²	5	40.1 Å²	40.1	5%	0.052	18%	0.184	C	C	.	.			trans	100.3	129.2	-167.4	0	0	0	0	0	111.9	N3 T55 L56 N57	N3-G53 WeakPolarHBondContact O-CA 3.48Å; G53-T55 PolarHBondContact O-N 3.48Å; G53-L56 CarbonylContact O-C 3.52Å; G53-L56 WeakPolarHBondContact O-CA 3.49Å; G53-L56 WeakPolarHBondContact O-CB 3.44Å; G53-L56 PolarHBondContact O-N 3.25Å; G53-N57 PolarHBondContact O-N 3.4Å
54	A	97.8	Very high	96.5	Very high	18 Å²	18	33 Å²	33	15%	0.149	15%	0.153	C	C	.	.	H	α-helix	trans	-52.1	-49	-167.4	0	0	0	0	0	114.7	L56 T58 A156 F158 D291	A54-L56 PolarHBondContact O-N 3.31Å; A54-T58 PolarHBondContact O-N 3.09Å; A54-T58 VanDerWaalsContact O-N 3.08Å; A54-T58 PolarHBondContact O-OG1 3.16Å; A54-A156 HydrophobicContact CB-CB 4.04Å; A54-F158 HydrophobicContact CB-CD2 3.84Å; A54-F158 HydrophobicContact CB-CE2 3.81Å; A54-D291 VanDerWaalsContact CA-OD1 3.28Å; A54-D291 WeakPolarHBondContact CA-OD1 3.48Å; A54-D291 WeakPolarHBondContact CA-OD2 3.32Å; A54-D291 VanDerWaalsContact CB-OD1 3.31Å; A54-D291 WeakPolarHBondContact CB-OD1 3.38Å
55	T	98.7	Very high	96.6	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-37	176.3	-55	0	0	0	0	112	M1 G53 T58 V59 Y74 Y154 A156	M1-T55 WeakPolarHBondContact O-CG2 3.4Å; G53-T55 PolarHBondContact O-N 3.48Å; T55-T58 PolarHBondContact O-N 2.83Å; T55-V59 HydrophobicContact CG2-CG2 4.31Å; T55-V59 WeakPolarHBondContact O-CB 3.32Å; T55-V59 VanDerWaalsContact O-CG2 3.26Å; T55-V59 WeakPolarHBondContact O-CG2 3.28Å; T55-V59 PolarHBondContact O-N 3.28Å; T55-Y74 HydrophobicContact CG2-CD2 4.44Å; T55-Y74 HydrophobicContact CG2-CE2 3.87Å; T55-Y154 HydrophobicContact CG2-CD1 4.04Å; T55-Y154 WeakPolarHBondContact CG2-O 3.47Å; T55-A156 WeakPolarHBondContact OG1-CB 3.2Å; T55-A156 PolarHBondContact OG1-N 2.95Å
56	L	98.6	Very high	96.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.1	-45.5	179.9	-176.2	59.5	0	0	0	110.9	P4 G52 G53 A54 T58 V59 K60 Y74 I87	P4-L56 HydrophobicContact CB-CD2 4.32Å; G52-L56 WeakPolarHBondContact O-CD2 3.37Å; G53-L56 CarbonylContact O-C 3.52Å; G53-L56 WeakPolarHBondContact O-CA 3.49Å; G53-L56 WeakPolarHBondContact O-CB 3.44Å; G53-L56 PolarHBondContact O-N 3.25Å; A54-L56 PolarHBondContact O-N 3.31Å; L56-T58 PolarHBondContact O-N 3.17Å; L56-V59 PolarHBondContact O-N 2.99Å; L56-K60 HydrophobicContact CD1-CG 4.18Å; L56-K60 HydrophobicContact CG-CD 4.29Å; L56-K60 HydrophobicContact CG-CG 4.27Å; L56-K60 WeakPolarHBondContact O-CB 3.36Å; L56-K60 VanDerWaalsContact O-CG 3.31Å; L56-K60 WeakPolarHBondContact O-CG 3.22Å; L56-K60 PolarHBondContact O-N 3.2Å; L56-Y74 VanDerWaalsContact CA-CE2 3.45Å; L56-Y74 HydrophobicContact CB-CD2 4.38Å; L56-Y74 HydrophobicContact CB-CE2 3.69Å; L56-Y74 HydrophobicContact CD1-CD1 3.99Å; L56-Y74 HydrophobicContact CD1-CD2 3.7Å; L56-Y74 HydrophobicContact CD1-CE1 4.11Å; L56-Y74 HydrophobicContact CD1-CE2 3.82Å; L56-Y74 HydrophobicContact CD1-CG 3.77Å; L56-Y74 HydrophobicContact CG-CE2 4.37Å; L56-I87 HydrophobicContact CD2-CG2 3.6Å
57	N	98.6	Very high	96.8	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.011	11%	0.113	C	C	.	.	H	α-helix	trans	-52.9	-55	173.3	-74	-12.2	0	0	0	110.9	G53 V59 K60 M61 D291 F327	G53-N57 PolarHBondContact O-N 3.4Å; N57-V59 VanDerWaalsContact C-N 3.31Å; N57-V59 PolarHBondContact O-N 2.92Å; N57-K60 PolarHBondContact O-N 3.49Å; N57-M61 PolarHBondContact O-N 2.89Å; N57-D291 HydrophobicContact CB-CB 3.66Å; N57-D291 VanDerWaalsContact CB-OD2 3.29Å; N57-D291 WeakPolarHBondContact CB-OD2 3.48Å; N57-D291 PolarHBondContact ND2-OD2 2.93Å; N57-F327 VanDerWaalsContact C-CZ 3.4Å; N57-F327 HydrophobicContact CB-CD1 3.97Å; N57-F327 HydrophobicContact CB-CD2 3.65Å; N57-F327 HydrophobicContact CB-CE1 3.96Å; N57-F327 HydrophobicContact CB-CE2 3.61Å; N57-F327 HydrophobicContact CB-CG 3.8Å; N57-F327 HydrophobicContact CB-CZ 3.75Å; N57-F327 VanDerWaalsContact CG-CG 3.44Å; N57-F327 WeakPolarHBondContact O-CE1 3.23Å; N57-F327 WeakPolarHBondContact O-CZ 3.26Å; N57-F327 WeakPolarHBondContact OD1-CD1 3.24Å; N57-F327 WeakPolarHBondContact OD1-CG 3.5Å
58	T	98.8	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-55.3	-47.6	179.2	-55.7	0	0	0	0	111.5	A54 T55 L56 M61 I62 Y154 D291 A294 A295	A54-T58 PolarHBondContact O-N 3.09Å; A54-T58 VanDerWaalsContact O-N 3.08Å; A54-T58 PolarHBondContact O-OG1 3.16Å; T55-T58 PolarHBondContact O-N 2.83Å; L56-T58 PolarHBondContact O-N 3.17Å; T58-M61 PolarHBondContact O-N 3.16Å; T58-I62 HydrophobicContact CG2-CD1 3.98Å; T58-I62 WeakPolarHBondContact O-CG1 3.32Å; T58-I62 PolarHBondContact O-N 2.78Å; T58-Y154 HydrophobicContact CG2-CD1 3.64Å; T58-Y154 HydrophobicContact CG2-CD2 4.42Å; T58-Y154 HydrophobicContact CG2-CE1 3.47Å; T58-Y154 VanDerWaalsContact CG2-CE1 3.47Å; T58-Y154 HydrophobicContact CG2-CE2 4.27Å; T58-Y154 HydrophobicContact CG2-CG 4.11Å; T58-Y154 WeakPolarHBondContact OG1-CE1 3.41Å; T58-Y154 PolarHBondContact OG1-OH 3.28Å; T58-D291 WeakPolarHBondContact OG1-CA 3.35Å; T58-D291 PolarHBondContact OG1-O 3.47Å; T58-A294 HydrophobicContact CG2-CB 4.05Å; T58-A295 HydrophobicContact CG2-CB 4.02Å; T58-A295 WeakPolarHBondContact O-CB 3.39Å
59	V	98.5	Very high	96.7	Very high	11 Å²	11	27 Å²	27	7%	0.067	13%	0.134	C	C	.	.	H	α-helix	trans	-65.1	-43.7	-179.6	167.4	0	0	0	0	112.3	T55 L56 N57 M61 I62 Q63 C72 Y74 V96	T55-V59 HydrophobicContact CG2-CG2 4.31Å; T55-V59 WeakPolarHBondContact O-CB 3.32Å; T55-V59 VanDerWaalsContact O-CG2 3.26Å; T55-V59 WeakPolarHBondContact O-CG2 3.28Å; T55-V59 PolarHBondContact O-N 3.28Å; L56-V59 PolarHBondContact O-N 2.99Å; N57-V59 VanDerWaalsContact C-N 3.31Å; N57-V59 PolarHBondContact O-N 2.92Å; V59-M61 VanDerWaalsContact C-N 3.31Å; V59-M61 PolarHBondContact O-N 3.41Å; V59-I62 PolarHBondContact O-N 3.22Å; V59-Q63 WeakPolarHBondContact O-CB 3.32Å; V59-Q63 PolarHBondContact O-N 2.96Å; V59-C72 HydrophobicContact CG1-CB 3.72Å; V59-Y74 HydrophobicContact CB-CD2 4.28Å; V59-Y74 HydrophobicContact CG1-CD2 4.4Å; V59-Y74 HydrophobicContact CG2-CD2 4.23Å; V59-V96 HydrophobicContact CG1-CG1 4Å
60	K	98	Very high	96.7	Very high	6 Å²	6	27 Å²	27	3%	0.026	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-43.5	176.4	-77.8	-167.6	-63.5	169.7	0	111.3	A51 L56 N57 Q63 W64 D90 L94 V96 F327 L329	A51-K60 PolarHBondContact O-NZ 2.92Å; L56-K60 HydrophobicContact CD1-CG 4.18Å; L56-K60 HydrophobicContact CG-CD 4.29Å; L56-K60 HydrophobicContact CG-CG 4.27Å; L56-K60 WeakPolarHBondContact O-CB 3.36Å; L56-K60 VanDerWaalsContact O-CG 3.31Å; L56-K60 WeakPolarHBondContact O-CG 3.22Å; L56-K60 PolarHBondContact O-N 3.2Å; N57-K60 PolarHBondContact O-N 3.49Å; K60-Q63 PolarHBondContact O-N 2.64Å; K60-W64 WeakPolarHBondContact O-CB 3.36Å; K60-W64 PolarHBondContact O-N 3.27Å; K60-D90 WeakPolarHBondContact CD-OD2 3.35Å; K60-D90 IonicContact NZ-OD2 2.65Å; K60-D90 PolarHBondContact NZ-OD2 3.06Å; K60-L94 HydrophobicContact CB-CD1 3.8Å; K60-L94 HydrophobicContact CD-CD1 3.75Å; K60-L94 HydrophobicContact CG-CD1 3.81Å; K60-V96 HydrophobicContact CG-CG2 4.47Å; K60-F327 HydrophobicContact CB-CE1 4.26Å; K60-L329 HydrophobicContact CB-CD1 4.03Å
61	M	98.1	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-74.1	-35.2	179.3	179.2	166.4	-148.8	0	0	113.1	N57 T58 V59 Q63 W64 I65 S292 A295 A317 Y320 F327 L329	N57-M61 PolarHBondContact O-N 2.89Å; T58-M61 PolarHBondContact O-N 3.16Å; V59-M61 VanDerWaalsContact C-N 3.31Å; V59-M61 PolarHBondContact O-N 3.41Å; M61-Q63 VanDerWaalsContact C-N 3.33Å; M61-Q63 PolarHBondContact O-N 2.89Å; M61-W64 HydrophobicContact CE-CE3 4.49Å; M61-W64 HydrophobicContact CE-CZ3 4.3Å; M61-W64 CarbonylContact O-C 3.41Å; M61-W64 PolarHBondContact O-N 3.31Å; M61-I65 HydrophobicContact CE-CD1 4.34Å; M61-I65 HydrophobicContact CG-CD1 3.68Å; M61-I65 HydrophobicContact CG-CG1 4.05Å; M61-I65 WeakPolarHBondContact O-CB 3.38Å; M61-I65 WeakPolarHBondContact O-CG1 3.31Å; M61-I65 PolarHBondContact O-N 2.87Å; M61-S292 VanDerWaalsContact SD-CB 3.57Å; M61-A295 HydrophobicContact CB-CB 3.66Å; M61-A295 HydrophobicContact CG-CB 3.69Å; M61-A295 HydrophobicContact SD-CB 4.12Å; M61-A317 HydrophobicContact CE-CB 3.38Å; M61-A317 HydrophobicContact SD-CB 3.84Å; M61-Y320 HydrophobicContact CE-CD1 4.19Å; M61-F327 HydrophobicContact CB-CE1 4.38Å; M61-F327 HydrophobicContact CB-CZ 3.61Å; M61-F327 HydrophobicContact SD-CZ 4.36Å; M61-L329 HydrophobicContact CB-CD1 4.31Å; M61-L329 HydrophobicContact CB-CD2 4.26Å; M61-L329 HydrophobicContact CG-CD2 4.34Å; M61-L329 HydrophobicContact SD-CD2 4.49Å
62	I	97.9	Very high	96.8	Very high	13 Å²	13	29.8 Å²	29.8	7%	0.067	15%	0.154	C	C	.	.	H	α-helix	trans	-59.1	-47.4	171.2	-67.6	168.4	0	0	0	110.1	T58 V59 W64 I65 I66 C72 A295 I298 A299	T58-I62 HydrophobicContact CG2-CD1 3.98Å; T58-I62 WeakPolarHBondContact O-CG1 3.32Å; T58-I62 PolarHBondContact O-N 2.78Å; V59-I62 PolarHBondContact O-N 3.22Å; I62-W64 VanDerWaalsContact C-N 3.31Å; I62-W64 PolarHBondContact O-N 3.39Å; I62-I65 PolarHBondContact O-N 3.39Å; I62-I66 HydrophobicContact CG2-CD1 3.6Å; I62-I66 HydrophobicContact CG2-CG1 4.3Å; I62-I66 WeakPolarHBondContact O-CG1 3.44Å; I62-I66 PolarHBondContact O-N 2.72Å; I62-C72 VanDerWaalsContact CG2-SG 3.58Å; I62-A295 HydrophobicContact CG1-CB 3.83Å; I62-I298 HydrophobicContact CD1-CB 4.16Å; I62-I298 HydrophobicContact CD1-CG2 3.87Å; I62-A299 HydrophobicContact CG2-CB 4.42Å
63	Q	97	Very high	96.8	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.028	17%	0.168	C	C	.	.	H	α-helix	trans	-56.8	-45.4	176	177.9	64.2	46.5	0	0	111.2	V59 K60 M61 I66 Q67 K68 C72 L94 V96	V59-Q63 WeakPolarHBondContact O-CB 3.32Å; V59-Q63 PolarHBondContact O-N 2.96Å; K60-Q63 PolarHBondContact O-N 2.64Å; M61-Q63 VanDerWaalsContact C-N 3.33Å; M61-Q63 PolarHBondContact O-N 2.89Å; Q63-I66 PolarHBondContact O-N 3.44Å; Q63-Q67 PolarHBondContact O-N 2.91Å; Q63-K68 PolarHBondContact NE2-O 3.08Å; Q63-C72 HydrophobicContact CB-CB 4.22Å; Q63-L94 WeakPolarHBondContact CG-O 3.49Å; Q63-L94 PolarHBondContact NE2-O 2.68Å; Q63-V96 HydrophobicContact CB-CG2 3.86Å; Q63-V96 HydrophobicContact CG-CG2 3.67Å
64	W	96.2	Very high	96.9	Very high	19 Å²	19	31.6 Å²	31.6	7%	0.072	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-36.7	177.1	-176.4	90.3	0	0	0	113.6	K60 M61 I62 Y320 L329 G330 R332 F337	K60-W64 WeakPolarHBondContact O-CB 3.36Å; K60-W64 PolarHBondContact O-N 3.27Å; M61-W64 HydrophobicContact CE-CE3 4.49Å; M61-W64 HydrophobicContact CE-CZ3 4.3Å; M61-W64 CarbonylContact O-C 3.41Å; M61-W64 PolarHBondContact O-N 3.31Å; I62-W64 VanDerWaalsContact C-N 3.31Å; I62-W64 PolarHBondContact O-N 3.39Å; W64-Y320 HydrophobicContact CH2-CD2 4.29Å; W64-Y320 HydrophobicContact CH2-CE1 4.29Å; W64-Y320 AromaticContact CH2-CE2 3.71Å; W64-Y320 HydrophobicContact CH2-CE2 3.71Å; W64-Y320 AromaticContact CH2-CZ 3.75Å; W64-Y320 HydrophobicContact CZ2-CE2 4.12Å; W64-Y320 AromaticContact CZ2-CZ 3.84Å; W64-L329 HydrophobicContact CB-CD1 3.88Å; W64-L329 HydrophobicContact CD2-CD2 4.26Å; W64-L329 HydrophobicContact CE3-CD2 4.43Å; W64-L329 HydrophobicContact CG-CB 4.41Å; W64-L329 HydrophobicContact CG-CD1 4.09Å; W64-L329 HydrophobicContact CG-CD2 4.43Å; W64-G330 PolarHBondContact NE1-O 3.45Å; W64-R332 HydrophobicContact CH2-CB 4.44Å; W64-R332 HydrophobicContact CH2-CG 4.15Å; W64-R332 HydrophobicContact CZ2-CB 3.65Å; W64-R332 HydrophobicContact CZ2-CG 3.85Å; W64-R332 WeakPolarHBondContact O-CD 3.49Å; W64-R332 PolarHBondContact O-NH1 3.32Å; W64-F337 HydrophobicContact CH2-CB 4.09Å; W64-F337 HydrophobicContact CH2-CD1 4.17Å; W64-F337 HydrophobicContact CH2-CD2 4.09Å; W64-F337 AromaticContact CH2-CG 3.83Å; W64-F337 HydrophobicContact CH2-CG 3.83Å; W64-F337 HydrophobicContact CZ3-CB 4.48Å; W64-F337 AromaticContact CZ3-CD1 3.81Å; W64-F337 HydrophobicContact CZ3-CD1 3.81Å; W64-F337 HydrophobicContact CZ3-CD2 4.44Å; W64-F337 HydrophobicContact CZ3-CE1 4.12Å; W64-F337 AromaticContact CZ3-CG 3.97Å; W64-F337 HydrophobicContact CZ3-CG 3.97Å
65	I	95.5	Very high	97	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-72.2	-34.6	176.1	-71.5	171.6	0	0	0	111.8	M61 I62 A299 R332 I339	M61-I65 HydrophobicContact CE-CD1 4.34Å; M61-I65 HydrophobicContact CG-CD1 3.68Å; M61-I65 HydrophobicContact CG-CG1 4.05Å; M61-I65 WeakPolarHBondContact O-CB 3.38Å; M61-I65 WeakPolarHBondContact O-CG1 3.31Å; M61-I65 PolarHBondContact O-N 2.87Å; I62-I65 PolarHBondContact O-N 3.39Å; I65-A299 HydrophobicContact CB-CB 4.19Å; I65-A299 HydrophobicContact CD1-CB 4.32Å; I65-A299 HydrophobicContact CG2-CB 3.61Å; I65-R332 PolarHBondContact O-NH1 2.91Å; I65-R332 PolarHBondContact O-NH2 3.47Å; I65-I339 HydrophobicContact CG2-CD1 3.89Å
66	I	93.8	Very high	97	Very high	36 Å²	36	31.1 Å²	31.1	19%	0.185	16%	0.161	C	C	.	.	H	α-helix	trans	-81.4	-28.6	-178.9	-65.4	173.7	0	0	0	111.5	I62 Q63 K68 V71 I302	I62-I66 HydrophobicContact CG2-CD1 3.6Å; I62-I66 HydrophobicContact CG2-CG1 4.3Å; I62-I66 WeakPolarHBondContact O-CG1 3.44Å; I62-I66 PolarHBondContact O-N 2.72Å; Q63-I66 PolarHBondContact O-N 3.44Å; I66-K68 HydrophobicContact CG2-CB 4.13Å; I66-K68 HydrophobicContact CG2-CD 4.43Å; I66-K68 HydrophobicContact CG2-CG 4.28Å; I66-K68 PolarHBondContact O-N 2.62Å; I66-K68 VanDerWaalsContact O-N 3.14Å; I66-V71 HydrophobicContact CB-CG2 3.95Å; I66-V71 HydrophobicContact CD1-CG2 4.08Å; I66-V71 HydrophobicContact CG2-CB 4.42Å; I66-V71 HydrophobicContact CG2-CG1 4.18Å; I66-V71 HydrophobicContact CG2-CG2 3.82Å; I66-I302 HydrophobicContact CD1-CD1 4.47Å
67	Q	89.8	Confident	97	Very high	117 Å²	117	31.1 Å²	31.1	55%	0.547	16%	0.161	S	C	.	.			trans	58.3	24.4	175.5	-102.7	-178.8	-17.9	0	0	114.7	Q63 R332	Q63-Q67 PolarHBondContact O-N 2.91Å; Q67-R332 VanDerWaalsContact NE2-CD 3.34Å; Q67-R332 VanDerWaalsContact OE1-NH1 3.07Å
68	K	93.3	Very high	97	Very high	138 Å²	138	31.1 Å²	31.1	60%	0.6	16%	0.161	S	C	*	.	S	Bend	trans	-115.1	127.9	170.9	-69.5	-178	179.6	-178.2	0	108	Q63 I66 F70 V71	Q63-K68 PolarHBondContact NE2-O 3.08Å; I66-K68 HydrophobicContact CG2-CB 4.13Å; I66-K68 HydrophobicContact CG2-CD 4.43Å; I66-K68 HydrophobicContact CG2-CG 4.28Å; I66-K68 PolarHBondContact O-N 2.62Å; I66-K68 VanDerWaalsContact O-N 3.14Å; K68-F70 PolarHBondContact O-N 3.18Å; K68-V71 HydrophobicContact CB-CG1 3.58Å; K68-V71 WeakPolarHBondContact O-CG2 3.47Å
69	P	95.3	Very high	96.9	Very high	76 Å²	76	31.2 Å²	31.2	49%	0.494	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	140.1	-175.4	27.5	-36	0	0	0	110	V71 D95	P69-V71 PolarHBondContact O-N 2.89Å; P69-D95 HydrophobicContact CB-CB 3.78Å
70	F	96.7	Very high	96.9	Very high	92 Å²	92	35.1 Å²	35.1	40%	0.404	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	48.8	172.6	-43.2	-63.1	0	0	0	112.9	K68 D95 R97	K68-F70 PolarHBondContact O-N 3.18Å; F70-D95 WeakPolarHBondContact CA-O 3.37Å; F70-D95 HydrophobicContact CD1-CB 4.11Å; F70-D95 WeakPolarHBondContact CD1-O 3.37Å; F70-D95 HydrophobicContact CE1-CB 3.96Å; F70-D95 HydrophobicContact CZ-CB 4.29Å; F70-D95 PolarHBondContact N-O 3.34Å; F70-R97 HydrophobicContact CB-CG 3.73Å; F70-R97 HydrophobicContact CD1-CG 3.87Å; F70-R97 HydrophobicContact CG-CG 4.17Å; F70-R97 PolarHBondContact O-NH1 2.86Å; F70-R97 PolarHBondContact O-NH2 2.87Å
71	V	97.1	Very high	96.9	Very high	64 Å²	64	36.4 Å²	36.4	39%	0.388	20%	0.202	S	C	.	.			trans	-93.8	-26.2	169.1	-69.3	0	0	0	0	111.8	I66 K68 P69	I66-V71 HydrophobicContact CB-CG2 3.95Å; I66-V71 HydrophobicContact CD1-CG2 4.08Å; I66-V71 HydrophobicContact CG2-CB 4.42Å; I66-V71 HydrophobicContact CG2-CG1 4.18Å; I66-V71 HydrophobicContact CG2-CG2 3.82Å; K68-V71 HydrophobicContact CB-CG1 3.58Å; K68-V71 WeakPolarHBondContact O-CG2 3.47Å; P69-V71 PolarHBondContact O-N 2.89Å
72	C	98.4	Very high	96.9	Very high	17 Å²	17	42.4 Å²	42.4	12%	0.115	23%	0.233	C	C	.	.			trans	-103.5	147	174.8	-63.3	0	0	0	0	111.9	V59 I62 Q63 R97	V59-C72 HydrophobicContact CG1-CB 3.72Å; I62-C72 VanDerWaalsContact CG2-SG 3.58Å; Q63-C72 HydrophobicContact CB-CB 4.22Å; C72-R97 PolarHBondContact O-N 3.2Å
73	S	98.5	Very high	96.9	Very high	43 Å²	43	44.9 Å²	44.9	30%	0.301	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.7	170.1	-59.5	0	0	0	0	109.8	R97	S73-R97 CarbonylContact C-O 3.48Å; S73-R97 WeakPolarHBondContact CA-O 3.09Å
74	Y	98.8	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.5	177.4	-171.8	-89.1	0	0	0	110.2	G2 N3 P4 T55 L56 V59 R97 T98 D99 F100	G2-Y74 VanDerWaalsContact CA-OH 3.27Å; G2-Y74 WeakPolarHBondContact CA-OH 3.36Å; G2-Y74 PolarHBondContact O-OH 3.43Å; N3-Y74 PolarHBondContact N-OH 2.69Å; P4-Y74 HydrophobicContact CB-CE1 4.13Å; P4-Y74 HydrophobicContact CG-CE1 4.3Å; T55-Y74 HydrophobicContact CG2-CD2 4.44Å; T55-Y74 HydrophobicContact CG2-CE2 3.87Å; L56-Y74 VanDerWaalsContact CA-CE2 3.45Å; L56-Y74 HydrophobicContact CB-CD2 4.38Å; L56-Y74 HydrophobicContact CB-CE2 3.69Å; L56-Y74 HydrophobicContact CD1-CD1 3.99Å; L56-Y74 HydrophobicContact CD1-CD2 3.7Å; L56-Y74 HydrophobicContact CD1-CE1 4.11Å; L56-Y74 HydrophobicContact CD1-CE2 3.82Å; L56-Y74 HydrophobicContact CD1-CG 3.77Å; L56-Y74 HydrophobicContact CG-CE2 4.37Å; V59-Y74 HydrophobicContact CB-CD2 4.28Å; V59-Y74 HydrophobicContact CG1-CD2 4.4Å; V59-Y74 HydrophobicContact CG2-CD2 4.23Å; Y74-R97 PolarHBondContact N-O 3.29Å; Y74-T98 CarbonylContact O-C 3.59Å; Y74-T98 WeakPolarHBondContact O-CA 3.49Å; Y74-D99 PolarHBondContact O-N 2.94Å; Y74-F100 AromaticContact CD1-CE1 3.72Å; Y74-F100 HydrophobicContact CD1-CE1 3.72Å; Y74-F100 HydrophobicContact CD1-CZ 4.09Å; Y74-F100 AromaticContact CE1-CE1 3.74Å; Y74-F100 HydrophobicContact CE1-CE1 3.74Å; Y74-F100 HydrophobicContact CE1-CZ 4.41Å
75	V	98.7	Very high	97.1	Very high	11 Å²	11	50.3 Å²	50.3	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.4	176.1	-178.4	0	0	0	0	108.2	M1 G2 D99 L133 I138 V143 L146	M1-V75 CarbonylContact C-O 3.56Å; M1-V75 WeakPolarHBondContact CA-O 3.47Å; M1-V75 HydrophobicContact CB-CB 4.43Å; M1-V75 HydrophobicContact CG-CB 4.43Å; G2-V75 PolarHBondContact N-O 2.89Å; V75-D99 VanDerWaalsContact CA-O 3.32Å; V75-D99 WeakPolarHBondContact CA-O 3.3Å; V75-D99 HydrophobicContact CG2-CB 4.32Å; V75-L133 HydrophobicContact CG1-CD1 4.38Å; V75-I138 HydrophobicContact CG1-CG1 4.44Å; V75-V143 HydrophobicContact CG1-CG1 3.88Å; V75-V143 HydrophobicContact CG2-CG1 3.8Å; V75-L146 HydrophobicContact CG2-CD1 4.42Å
76	G	98.6	Very high	97.2	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	-177.3	-179.8	0	0	0	0	0	112	D99 F100 Q101	G76-D99 PolarHBondContact N-O 3.32Å; G76-F100 WeakPolarHBondContact O-CA 3.48Å; G76-Q101 PolarHBondContact O-N 3.39Å
77	C	98.8	Very high	97.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.7	177	-172	0	0	0	0	111.2	P4 Q101 A129 L133	P4-C77 VanDerWaalsContact CG-O 3.29Å; P4-C77 WeakPolarHBondContact CG-O 3.46Å; C77-Q101 CarbonylContact C-O 3.58Å; C77-Q101 VanDerWaalsContact CA-O 3.28Å; C77-Q101 WeakPolarHBondContact CA-O 3.44Å; C77-Q101 HydrophobicContact CB-CB 4Å; C77-Q101 PolarHBondContact SG-O 2.89Å; C77-Q101 VanDerWaalsContact SG-O 3.35Å; C77-A129 VanDerWaalsContact CB-O 3.29Å; C77-A129 WeakPolarHBondContact CB-O 3.39Å; C77-A129 PolarHBondContact SG-O 3.34Å; C77-L133 HydrophobicContact CB-CB 3.71Å; C77-L133 HydrophobicContact CB-CD1 4.33Å
78	I	98.7	Very high	97.8	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	163	-179.8	60.9	-178.5	0	0	0	111.1	P4 F100 Q101 I102 T103 T109	P4-I78 HydrophobicContact CB-CG2 3.92Å; P4-I78 HydrophobicContact CG-CG2 3.48Å; P4-I78 VanDerWaalsContact CG-CG2 3.48Å; I78-F100 HydrophobicContact CD1-CB 3.77Å; I78-F100 HydrophobicContact CD1-CD1 4.42Å; I78-F100 HydrophobicContact CD1-CD2 4.12Å; I78-F100 HydrophobicContact CD1-CG 3.87Å; I78-F100 HydrophobicContact CG1-CB 3.97Å; I78-F100 HydrophobicContact CG1-CG 4.33Å; I78-F100 HydrophobicContact CG2-CD1 3.93Å; I78-F100 HydrophobicContact CG2-CE1 4.23Å; I78-F100 HydrophobicContact CG2-CG 4.42Å; I78-Q101 PolarHBondContact N-O 3.24Å; I78-I102 HydrophobicContact CD1-CD1 3.78Å; I78-I102 HydrophobicContact CG1-CD1 3.53Å; I78-T103 PolarHBondContact O-N 2.8Å; I78-T103 VanDerWaalsContact O-N 3.1Å; I78-T109 HydrophobicContact CG2-CG2 4.44Å
79	G	98.4	Very high	98	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.021	26%	0.264	C	S	.	.			trans	-71.9	155.8	170.9	0	0	0	0	0	112.4	D81 T109	G79-D81 PolarHBondContact O-N 2.99Å; G79-T109 WeakPolarHBondContact CA-OG1 3.42Å; G79-T109 PolarHBondContact N-OG1 3.07Å
80	A	97.5	Very high	98.1	Very high	92 Å²	92	48.5 Å²	48.5	76%	0.76	25%	0.254	S	S	*	.	S	Bend	trans	-77.8	53.1	165.9	0	0	0	0	0	111.1	I102	A80-I102 HydrophobicContact CB-CG2 3.78Å
81	D	98	Very high	98.2	Very high	33 Å²	33	44.1 Å²	44.1	18%	0.176	24%	0.235	C	C	.	.	S	Bend	trans	-133.9	176.2	-172.4	59.3	27.1	0	0	0	113.1	G79 Q83 G84 K85 K108 T109	G79-D81 PolarHBondContact O-N 2.99Å; D81-Q83 VanDerWaalsContact C-N 3.27Å; D81-Q83 PolarHBondContact O-N 2.84Å; D81-Q83 PolarHBondContact OD1-N 3.01Å; D81-G84 PolarHBondContact O-N 3.37Å; D81-G84 PolarHBondContact OD1-N 3.2Å; D81-K85 PolarHBondContact O-N 3.02Å; D81-K85 VanDerWaalsContact O-N 3.09Å; D81-K108 WeakPolarHBondContact OD2-CA 3.33Å; D81-K108 VanDerWaalsContact OD2-CB 3.29Å; D81-K108 WeakPolarHBondContact OD2-CB 3.5Å; D81-T109 WeakPolarHBondContact OD1-CB 3.35Å; D81-T109 PolarHBondContact OD1-OG1 2.71Å; D81-T109 PolarHBondContact OD2-N 3.47Å; D81-T109 PolarHBondContact OD2-OG1 3.34Å
82	I	97.8	Very high	98.1	Very high	127 Å²	127	50 Å²	50	65%	0.651	25%	0.25	S	C	*	.	H	α-helix	trans	-66.2	-31.3	-178.2	-169.1	166.7	0	0	0	111.9	K85 Y86	I82-K85 PolarHBondContact O-N 2.8Å; I82-Y86 VanDerWaalsContact O-CB 3.31Å; I82-Y86 WeakPolarHBondContact O-CB 3.43Å; I82-Y86 PolarHBondContact O-N 3.26Å
83	Q	98.1	Very high	98	Very high	64 Å²	64	52.2 Å²	52.2	30%	0.299	28%	0.276	S	S	.	.	H	α-helix	trans	-66.4	-46.3	176.4	-70.7	73.2	25.1	0	0	111.4	L6 D81 K85 Y86 I87 T109	L6-Q83 HydrophobicContact CD2-CB 4.45Å; L6-Q83 HydrophobicContact CD2-CG 3.61Å; L6-Q83 HydrophobicContact CG-CG 4.49Å; D81-Q83 VanDerWaalsContact C-N 3.27Å; D81-Q83 PolarHBondContact O-N 2.84Å; D81-Q83 PolarHBondContact OD1-N 3.01Å; Q83-K85 VanDerWaalsContact C-N 3.33Å; Q83-K85 PolarHBondContact O-N 2.97Å; Q83-Y86 WeakPolarHBondContact O-CB 3.49Å; Q83-Y86 PolarHBondContact O-N 3.3Å; Q83-I87 WeakPolarHBondContact O-CG1 3.42Å; Q83-I87 PolarHBondContact O-N 2.84Å; Q83-T109 HydrophobicContact CB-CG2 4.18Å
84	G	98.4	Very high	97.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-41.6	176.1	0	0	0	0	0	111.6	D81 Y86 I87 K88 T109	D81-G84 PolarHBondContact O-N 3.37Å; D81-G84 PolarHBondContact OD1-N 3.2Å; G84-Y86 VanDerWaalsContact C-N 3.34Å; G84-Y86 PolarHBondContact O-N 2.91Å; G84-I87 PolarHBondContact O-N 3.39Å; G84-K88 WeakPolarHBondContact O-CB 3.14Å; G84-K88 PolarHBondContact O-N 3.1Å; G84-T109 VanDerWaalsContact CA-OG1 3.24Å; G84-T109 WeakPolarHBondContact CA-OG1 3.42Å; G84-T109 PolarHBondContact N-OG1 2.97Å; G84-T109 VanDerWaalsContact N-OG1 3.09Å
85	K	98.2	Very high	97.7	Very high	140 Å²	140	55.2 Å²	55.2	61%	0.609	29%	0.289	S	S	*	.	H	α-helix	trans	-62.4	-40.5	173.5	-173.8	176.3	179.5	179.9	0	112.2	D81 I82 Q83 K88 N89	D81-K85 PolarHBondContact O-N 3.02Å; D81-K85 VanDerWaalsContact O-N 3.09Å; I82-K85 PolarHBondContact O-N 2.8Å; Q83-K85 VanDerWaalsContact C-N 3.33Å; Q83-K85 PolarHBondContact O-N 2.97Å; K85-K88 PolarHBondContact O-N 3.07Å; K85-N89 WeakPolarHBondContact O-CB 3.23Å; K85-N89 VanDerWaalsContact O-CG 3.25Å; K85-N89 PolarHBondContact O-N 2.92Å; K85-N89 PolarHBondContact O-ND2 3.4Å
86	Y	98.3	Very high	97.7	Very high	99 Å²	99	55 Å²	55	39%	0.388	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-49.8	176.7	173.8	-104.3	0	0	0	111.2	L6 Y49 A51 I82 Q83 G84 K88 N89 D90	L6-Y86 HydrophobicContact CD1-CD1 3.72Å; L6-Y86 HydrophobicContact CD1-CE1 3.93Å; Y49-Y86 PolarHBondContact O-OH 2.87Å; A51-Y86 HydrophobicContact CB-CD1 4.32Å; A51-Y86 HydrophobicContact CB-CE1 4.01Å; I82-Y86 VanDerWaalsContact O-CB 3.31Å; I82-Y86 WeakPolarHBondContact O-CB 3.43Å; I82-Y86 PolarHBondContact O-N 3.26Å; Q83-Y86 WeakPolarHBondContact O-CB 3.49Å; Q83-Y86 PolarHBondContact O-N 3.3Å; G84-Y86 VanDerWaalsContact C-N 3.34Å; G84-Y86 PolarHBondContact O-N 2.91Å; Y86-K88 PolarHBondContact O-N 2.89Å; Y86-N89 PolarHBondContact O-N 3.08Å; Y86-D90 PolarHBondContact O-N 3.33Å
87	I	98.6	Very high	97.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-46.2	176.6	-64.6	170.3	0	0	0	111.4	P4 L5 A51 L56 Q83 G84 N89 D90 C91 F100 T109	P4-I87 HydrophobicContact CB-CD1 4.38Å; P4-I87 HydrophobicContact CB-CG2 4.07Å; L5-I87 WeakPolarHBondContact O-CD1 3.41Å; A51-I87 HydrophobicContact CB-CB 4.26Å; A51-I87 HydrophobicContact CB-CG1 3.86Å; A51-I87 HydrophobicContact CB-CG2 4.4Å; L56-I87 HydrophobicContact CD2-CG2 3.6Å; Q83-I87 WeakPolarHBondContact O-CG1 3.42Å; Q83-I87 PolarHBondContact O-N 2.84Å; G84-I87 PolarHBondContact O-N 3.39Å; I87-N89 VanDerWaalsContact C-N 3.3Å; I87-N89 PolarHBondContact O-N 3.29Å; I87-D90 PolarHBondContact O-N 3.14Å; I87-C91 PolarHBondContact O-N 2.95Å; I87-C91 VanDerWaalsContact O-N 3.09Å; I87-C91 PolarHBondContact O-SG 2.98Å; I87-F100 HydrophobicContact CG2-CZ 4.11Å; I87-T109 HydrophobicContact CD1-CG2 3.6Å
88	K	98.3	Very high	97.6	Very high	101 Å²	101	62.2 Å²	62.2	44%	0.439	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-40.2	178.9	-175.6	172.8	-176.9	170.7	0	112.4	G84 K85 Y86 R92 F100	G84-K88 WeakPolarHBondContact O-CB 3.14Å; G84-K88 PolarHBondContact O-N 3.1Å; K85-K88 PolarHBondContact O-N 3.07Å; Y86-K88 PolarHBondContact O-N 2.89Å; K88-R92 WeakPolarHBondContact O-CB 3.32Å; K88-R92 PolarHBondContact O-N 3.17Å; K88-R92 VanDerWaalsContact O-N 3.09Å; K88-F100 HydrophobicContact CB-CD2 4.1Å; K88-F100 HydrophobicContact CB-CE2 3.99Å; K88-F100 HydrophobicContact CD-CD2 4.26Å; K88-F100 HydrophobicContact CG-CD2 3.99Å; K88-F100 HydrophobicContact CG-CE2 4.1Å
89	N	97.8	Very high	97.6	Very high	79 Å²	79	63.6 Å²	63.6	42%	0.422	33%	0.326	S	S	.	.	H	α-helix	trans	-71.1	-38.4	178.1	-73.7	-18.6	0	0	0	112.6	K85 Y86 I87 C91 R92 G93	K85-N89 WeakPolarHBondContact O-CB 3.23Å; K85-N89 VanDerWaalsContact O-CG 3.25Å; K85-N89 PolarHBondContact O-N 2.92Å; K85-N89 PolarHBondContact O-ND2 3.4Å; Y86-N89 PolarHBondContact O-N 3.08Å; I87-N89 VanDerWaalsContact C-N 3.3Å; I87-N89 PolarHBondContact O-N 3.29Å; N89-C91 VanDerWaalsContact C-N 3.34Å; N89-C91 PolarHBondContact O-N 3.31Å; N89-R92 PolarHBondContact O-N 2.85Å; N89-G93 PolarHBondContact O-N 3.21Å
90	D	97	Very high	97.6	Very high	51 Å²	51	64.3 Å²	64.3	27%	0.273	33%	0.329	S	S	.	.	H	α-helix	trans	-57.7	-47.6	174.1	-175.3	67.6	0	0	0	111	A51 K60 Y86 I87 R92 G93 L94	A51-D90 HydrophobicContact CB-CB 3.8Å; A51-D90 WeakPolarHBondContact CB-OD2 3.18Å; K60-D90 WeakPolarHBondContact CD-OD2 3.35Å; K60-D90 IonicContact NZ-OD2 2.65Å; K60-D90 PolarHBondContact NZ-OD2 3.06Å; Y86-D90 PolarHBondContact O-N 3.33Å; I87-D90 PolarHBondContact O-N 3.14Å; D90-R92 PolarHBondContact O-N 3.38Å; D90-G93 PolarHBondContact O-N 2.9Å; D90-L94 PolarHBondContact O-N 3.29Å
91	C	97.6	Very high	97.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-42.2	176.6	-60.5	0	0	0	0	112.6	I87 N89 G93 L94 D95 V96 T98	I87-C91 PolarHBondContact O-N 2.95Å; I87-C91 VanDerWaalsContact O-N 3.09Å; I87-C91 PolarHBondContact O-SG 2.98Å; N89-C91 VanDerWaalsContact C-N 3.34Å; N89-C91 PolarHBondContact O-N 3.31Å; C91-G93 VanDerWaalsContact C-N 3.3Å; C91-G93 PolarHBondContact O-N 2.69Å; C91-L94 PolarHBondContact O-N 2.88Å; C91-D95 PolarHBondContact O-N 3.08Å; C91-V96 HydrophobicContact CB-CB 4.22Å; C91-V96 PolarHBondContact O-N 3.2Å; C91-T98 HydrophobicContact CB-CG2 3.37Å
92	R	96.4	Very high	97.6	Very high	187 Å²	187	63.4 Å²	63.4	71%	0.706	31%	0.309	S	S	*	.	H	α-helix	trans	-62.8	-37.5	177	-178.5	-179.9	172.6	-179.3	-1.4	111.5	K88 N89 D90 L94 D95	K88-R92 WeakPolarHBondContact O-CB 3.32Å; K88-R92 PolarHBondContact O-N 3.17Å; K88-R92 VanDerWaalsContact O-N 3.09Å; N89-R92 PolarHBondContact O-N 2.85Å; D90-R92 PolarHBondContact O-N 3.38Å; R92-L94 PolarHBondContact O-N 2.93Å; R92-D95 PolarHBondContact O-N 2.92Å; R92-D95 VanDerWaalsContact O-N 3.15Å
93	G	94.7	Very high	97.6	Very high	65 Å²	65	57.9 Å²	57.9	67%	0.67	28%	0.282	S	S	*	.	H	α-helix	trans	-64.5	-19.8	176.8	0	0	0	0	0	114.3	N89 D90 C91	N89-G93 PolarHBondContact O-N 3.21Å; D90-G93 PolarHBondContact O-N 2.9Å; C91-G93 VanDerWaalsContact C-N 3.3Å; C91-G93 PolarHBondContact O-N 2.69Å
94	L	95.3	Very high	97.4	Very high	37 Å²	37	61.4 Å²	61.4	19%	0.194	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	5.4	176	-67.6	172.1	0	0	0	113.4	K60 Q63 D90 C91 R92 V96 L329	K60-L94 HydrophobicContact CB-CD1 3.8Å; K60-L94 HydrophobicContact CD-CD1 3.75Å; K60-L94 HydrophobicContact CG-CD1 3.81Å; Q63-L94 WeakPolarHBondContact CG-O 3.49Å; Q63-L94 PolarHBondContact NE2-O 2.68Å; D90-L94 PolarHBondContact O-N 3.29Å; C91-L94 PolarHBondContact O-N 2.88Å; R92-L94 PolarHBondContact O-N 2.93Å; L94-V96 VanDerWaalsContact C-N 3.26Å; L94-V96 HydrophobicContact CB-CG2 4.16Å; L94-V96 PolarHBondContact O-N 3.5Å; L94-L329 HydrophobicContact CD1-CD1 3.98Å
95	D	96.2	Very high	97.2	Very high	69 Å²	69	67.1 Å²	67.1	37%	0.369	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	32.5	-173	-58.5	-46.1	0	0	0	114.1	P69 F70 C91 R92	P69-D95 HydrophobicContact CB-CB 3.78Å; F70-D95 WeakPolarHBondContact CA-O 3.37Å; F70-D95 HydrophobicContact CD1-CB 4.11Å; F70-D95 WeakPolarHBondContact CD1-O 3.37Å; F70-D95 HydrophobicContact CE1-CB 3.96Å; F70-D95 HydrophobicContact CZ-CB 4.29Å; F70-D95 PolarHBondContact N-O 3.34Å; C91-D95 PolarHBondContact O-N 3.08Å; R92-D95 PolarHBondContact O-N 2.92Å; R92-D95 VanDerWaalsContact O-N 3.15Å
96	V	98.1	Very high	97	Very high	5 Å²	5	67.1 Å²	67.1	3%	0.03	35%	0.347	C	S	.	.			trans	-76.8	130.2	169.5	-178.9	0	0	0	0	108.8	V59 K60 Q63 C91 L94 T98	V59-V96 HydrophobicContact CG1-CG1 4Å; K60-V96 HydrophobicContact CG-CG2 4.47Å; Q63-V96 HydrophobicContact CB-CG2 3.86Å; Q63-V96 HydrophobicContact CG-CG2 3.67Å; C91-V96 HydrophobicContact CB-CB 4.22Å; C91-V96 PolarHBondContact O-N 3.2Å; L94-V96 VanDerWaalsContact C-N 3.26Å; L94-V96 HydrophobicContact CB-CG2 4.16Å; L94-V96 PolarHBondContact O-N 3.5Å; V96-T98 HydrophobicContact CB-CG2 4.4Å; V96-T98 HydrophobicContact CG1-CG2 4.04Å; V96-T98 PolarHBondContact O-N 3.48Å
97	R	98.1	Very high	96.9	Very high	113 Å²	113	64.7 Å²	64.7	43%	0.426	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	120.1	167.9	-62.9	-163.3	-173	84.7	9.4	108.6	F70 C72 S73 Y74	F70-R97 HydrophobicContact CB-CG 3.73Å; F70-R97 HydrophobicContact CD1-CG 3.87Å; F70-R97 HydrophobicContact CG-CG 4.17Å; F70-R97 PolarHBondContact O-NH1 2.86Å; F70-R97 PolarHBondContact O-NH2 2.87Å; C72-R97 PolarHBondContact O-N 3.2Å; S73-R97 CarbonylContact C-O 3.48Å; S73-R97 WeakPolarHBondContact CA-O 3.09Å; Y74-R97 PolarHBondContact N-O 3.29Å
98	T	98.1	Very high	96.9	Very high	39 Å²	39	71.9 Å²	71.9	24%	0.239	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.4	178.2	60.6	0	0	0	0	111.3	Y74 C91 V96 F100	Y74-T98 CarbonylContact O-C 3.59Å; Y74-T98 WeakPolarHBondContact O-CA 3.49Å; C91-T98 HydrophobicContact CB-CG2 3.37Å; V96-T98 HydrophobicContact CB-CG2 4.4Å; V96-T98 HydrophobicContact CG1-CG2 4.04Å; V96-T98 PolarHBondContact O-N 3.48Å; T98-F100 HydrophobicContact CG2-CD2 4.47Å; T98-F100 HydrophobicContact CG2-CE2 3.6Å; T98-F100 HydrophobicContact CG2-CZ 3.88Å
99	D	98.2	Very high	96.9	Very high	33 Å²	33	67.3 Å²	67.3	18%	0.176	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	109.9	162.9	-146.2	-53.1	0	0	0	109.1	Y74 V75 G76 H137 H142 V143 L146	Y74-D99 PolarHBondContact O-N 2.94Å; V75-D99 VanDerWaalsContact CA-O 3.32Å; V75-D99 WeakPolarHBondContact CA-O 3.3Å; V75-D99 HydrophobicContact CG2-CB 4.32Å; G76-D99 PolarHBondContact N-O 3.32Å; D99-H137 IonicContact OD1-CE1 3.31Å; D99-H137 PolarHBondContact OD1-CE1 2.95Å; D99-H137 IonicContact OD1-NE2 3.99Å; D99-H142 IonicContact OD2-CD2 2.73Å; D99-H142 PolarHBondContact OD2-CD2 3.29Å; D99-H142 IonicContact OD2-NE2 3.7Å; D99-V143 HydrophobicContact CB-CG2 4.35Å; D99-L146 HydrophobicContact CB-CD1 4.26Å
100	F	98.4	Very high	96.9	Very high	16 Å²	16	63.6 Å²	63.6	7%	0.07	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.5	-177.8	-71	-62.7	0	0	0	109.4	P4 Y74 G76 I78 I87 K88 T98 I102	P4-F100 HydrophobicContact CB-CE1 3.82Å; P4-F100 HydrophobicContact CG-CD1 4.16Å; P4-F100 HydrophobicContact CG-CE1 3.85Å; Y74-F100 AromaticContact CD1-CE1 3.72Å; Y74-F100 HydrophobicContact CD1-CE1 3.72Å; Y74-F100 HydrophobicContact CD1-CZ 4.09Å; Y74-F100 AromaticContact CE1-CE1 3.74Å; Y74-F100 HydrophobicContact CE1-CE1 3.74Å; Y74-F100 HydrophobicContact CE1-CZ 4.41Å; G76-F100 WeakPolarHBondContact O-CA 3.48Å; I78-F100 HydrophobicContact CD1-CB 3.77Å; I78-F100 HydrophobicContact CD1-CD1 4.42Å; I78-F100 HydrophobicContact CD1-CD2 4.12Å; I78-F100 HydrophobicContact CD1-CG 3.87Å; I78-F100 HydrophobicContact CG1-CB 3.97Å; I78-F100 HydrophobicContact CG1-CG 4.33Å; I78-F100 HydrophobicContact CG2-CD1 3.93Å; I78-F100 HydrophobicContact CG2-CE1 4.23Å; I78-F100 HydrophobicContact CG2-CG 4.42Å; I87-F100 HydrophobicContact CG2-CZ 4.11Å; K88-F100 HydrophobicContact CB-CD2 4.1Å; K88-F100 HydrophobicContact CB-CE2 3.99Å; K88-F100 HydrophobicContact CD-CD2 4.26Å; K88-F100 HydrophobicContact CG-CD2 3.99Å; K88-F100 HydrophobicContact CG-CE2 4.1Å; T98-F100 HydrophobicContact CG2-CD2 4.47Å; T98-F100 HydrophobicContact CG2-CE2 3.6Å; T98-F100 HydrophobicContact CG2-CZ 3.88Å; F100-I102 PolarHBondContact O-N 2.83Å
101	Q	98.5	Very high	97	Very high	29 Å²	29	63.4 Å²	63.4	14%	0.136	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	131.9	161.3	-168.5	179.6	-31.3	0	0	108	G76 C77 I78 D132 L133 S134 H137	G76-Q101 PolarHBondContact O-N 3.39Å; C77-Q101 CarbonylContact C-O 3.58Å; C77-Q101 VanDerWaalsContact CA-O 3.28Å; C77-Q101 WeakPolarHBondContact CA-O 3.44Å; C77-Q101 HydrophobicContact CB-CB 4Å; C77-Q101 PolarHBondContact SG-O 2.89Å; C77-Q101 VanDerWaalsContact SG-O 3.35Å; I78-Q101 PolarHBondContact N-O 3.24Å; Q101-D132 PolarHBondContact NE2-O 2.81Å; Q101-D132 PolarHBondContact OE1-O 2.92Å; Q101-L133 HydrophobicContact CB-CD1 4.4Å; Q101-S134 PolarHBondContact OE1-OG 2.78Å; Q101-S134 VanDerWaalsContact OE1-OG 3.1Å; Q101-H137 HydrophobicContact CB-CB 4.42Å; Q101-H137 HydrophobicContact CG-CB 4.21Å; Q101-H137 PolarHBondContact N-NE2 3.06Å
102	I	98.3	Very high	97	Very high	78 Å²	78	63.7 Å²	63.7	40%	0.4	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.7	167.8	-51.8	-55.3	0	0	0	106.5	I78 A80 F100 T104	I78-I102 HydrophobicContact CD1-CD1 3.78Å; I78-I102 HydrophobicContact CG1-CD1 3.53Å; A80-I102 HydrophobicContact CB-CG2 3.78Å; F100-I102 PolarHBondContact O-N 2.83Å; I102-T104 PolarHBondContact O-N 3.11Å
103	T	97.4	Very high	97.1	Very high	11 Å²	11	54.8 Å²	54.8	7%	0.067	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-56	139.2	175.2	172.9	0	0	0	0	110.8	I78 K105 L107 A129 D132	I78-T103 PolarHBondContact O-N 2.8Å; I78-T103 VanDerWaalsContact O-N 3.1Å; T103-K105 PolarHBondContact OG1-N 2.67Å; T103-K105 PolarHBondContact OG1-O 3.26Å; T103-L107 HydrophobicContact CG2-CB 4.2Å; T103-L107 VanDerWaalsContact CG2-O 3.3Å; T103-L107 WeakPolarHBondContact CG2-O 3.4Å; T103-A129 HydrophobicContact CG2-CB 3.69Å; T103-D132 WeakPolarHBondContact CB-OD2 3.3Å; T103-D132 PolarHBondContact OG1-OD2 2.65Å
104	T	93.9	Very high	97.2	Very high	138 Å²	138	51.7 Å²	51.7	85%	0.847	27%	0.265	S	S	*	.	S	Bend	trans	-92.4	-10.3	172.1	55.6	0	0	0	0	112.4	I102	I102-T104 PolarHBondContact O-N 3.11Å
105	K	93.6	Very high	97.3	Very high	119 Å²	119	49.9 Å²	49.9	52%	0.517	26%	0.256	S	S	.	.	S	Bend	trans	-83.1	162.9	174.9	-61.8	-176.1	-164	158.1	0	109.6	T103 L107 D132	T103-K105 PolarHBondContact OG1-N 2.67Å; T103-K105 PolarHBondContact OG1-O 3.26Å; K105-L107 HydrophobicContact CB-CD1 4.24Å; K105-L107 HydrophobicContact CB-CG 4.06Å; K105-L107 HydrophobicContact CD-CD1 4.27Å; K105-L107 PolarHBondContact O-N 3.16Å; K105-D132 WeakPolarHBondContact CB-OD2 3.37Å; K105-D132 WeakPolarHBondContact CD-OD1 3.34Å; K105-D132 VanDerWaalsContact CD-OD2 3.23Å; K105-D132 WeakPolarHBondContact CD-OD2 3.42Å; K105-D132 VanDerWaalsContact CE-OD1 3.27Å; K105-D132 WeakPolarHBondContact CE-OD1 3.12Å; K105-D132 VanDerWaalsContact CG-OD2 3.26Å; K105-D132 WeakPolarHBondContact CG-OD2 3.38Å; K105-D132 IonicContact NZ-OD1 3.68Å; K105-D132 PolarHBondContact NZ-OD1 2.94Å; K105-D132 IonicContact NZ-OD2 3.08Å
106	P	93.9	Very high	97.2	Very high	140 Å²	140	47.1 Å²	47.1	91%	0.909	24%	0.241	S	C	*	.	S	Bend	trans	-73.9	40.1	175	33.3	-37.7	0	0	0	112.6
107	L	96.4	Very high	97	Very high	49 Å²	49	47.6 Å²	47.6	26%	0.257	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-92	136.3	177.8	-66.7	176.4	0	0	0	110.2	T103 K105 A129	T103-L107 HydrophobicContact CG2-CB 4.2Å; T103-L107 VanDerWaalsContact CG2-O 3.3Å; T103-L107 WeakPolarHBondContact CG2-O 3.4Å; K105-L107 HydrophobicContact CB-CD1 4.24Å; K105-L107 HydrophobicContact CB-CG 4.06Å; K105-L107 HydrophobicContact CD-CD1 4.27Å; K105-L107 PolarHBondContact O-N 3.16Å; L107-A129 HydrophobicContact CB-CB 4.42Å
108	K	97.8	Very high	96.5	Very high	150 Å²	150	49.6 Å²	49.6	65%	0.652	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-83	160	169.2	-66.6	-174.8	-179.9	178.3	0	110.5	D81 G110 A129	D81-K108 WeakPolarHBondContact OD2-CA 3.33Å; D81-K108 VanDerWaalsContact OD2-CB 3.29Å; D81-K108 WeakPolarHBondContact OD2-CB 3.5Å; K108-G110 PolarHBondContact O-N 3.37Å; K108-A129 WeakPolarHBondContact O-CB 3.32Å; K108-A129 PolarHBondContact O-N 2.94Å
109	T	98.7	Very high	96	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50	134.7	169.1	-61.8	0	0	0	0	109.5	I78 G79 D81 Q83 G84 I87	I78-T109 HydrophobicContact CG2-CG2 4.44Å; G79-T109 WeakPolarHBondContact CA-OG1 3.42Å; G79-T109 PolarHBondContact N-OG1 3.07Å; D81-T109 WeakPolarHBondContact OD1-CB 3.35Å; D81-T109 PolarHBondContact OD1-OG1 2.71Å; D81-T109 PolarHBondContact OD2-N 3.47Å; D81-T109 PolarHBondContact OD2-OG1 3.34Å; Q83-T109 HydrophobicContact CB-CG2 4.18Å; G84-T109 VanDerWaalsContact CA-OG1 3.24Å; G84-T109 WeakPolarHBondContact CA-OG1 3.42Å; G84-T109 PolarHBondContact N-OG1 2.97Å; G84-T109 VanDerWaalsContact N-OG1 3.09Å; I87-T109 HydrophobicContact CD1-CG2 3.6Å
110	G	98.5	Very high	95.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	158	178.7	0	0	0	0	0	111.9	L5 L6 K108 Y126 L127	L5-G110 WeakPolarHBondContact CA-O 3.21Å; L6-G110 PolarHBondContact N-O 3.03Å; K108-G110 PolarHBondContact O-N 3.37Å; G110-Y126 CarbonylContact C-O 3.58Å; G110-Y126 WeakPolarHBondContact CA-O 3.49Å; G110-L127 VanDerWaalsContact CA-O 3.26Å; G110-L127 WeakPolarHBondContact CA-O 3.4Å
111	K	98.3	Very high	95.2	Very high	48 Å²	48	53.9 Å²	53.9	21%	0.209	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.8	-174.7	56.8	-179.5	177	175	0	111.2	L6 I8 Y38 Y126	L6-K111 CarbonylContact O-C 3.48Å; L6-K111 WeakPolarHBondContact O-CA 3.01Å; L6-K111 WeakPolarHBondContact O-CB 3.14Å; I8-K111 HydrophobicContact CD1-CB 4.25Å; I8-K111 HydrophobicContact CD1-CD 4.15Å; Y38-K111 HydrophobicContact CD1-CD 3.64Å; Y38-K111 HydrophobicContact CD1-CG 3.93Å; Y38-K111 HydrophobicContact CD2-CD 4.4Å; Y38-K111 VanDerWaalsContact CD2-CE 3.46Å; Y38-K111 HydrophobicContact CE1-CD 4.06Å; Y38-K111 HydrophobicContact CE1-CG 3.83Å; Y38-K111 HydrophobicContact CG-CD 3.84Å; Y38-K111 HydrophobicContact CG-CG 4.49Å; Y38-K111 VanDerWaalsContact CG-NZ 3.3Å; K111-Y126 HydrophobicContact CG-CD1 4.33Å; K111-Y126 PolarHBondContact N-O 3.42Å; K111-Y126 PolarHBondContact O-N 2.9Å
112	V	98.4	Very high	95	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.8	176.5	-169.9	0	0	0	0	108.2	L5 L6 D7 I8 V114 M123 V124 T125	L5-V112 HydrophobicContact CB-CG2 3.98Å; L5-V112 HydrophobicContact CD1-CG2 3.56Å; L5-V112 HydrophobicContact CG-CG2 4.36Å; L6-V112 PolarHBondContact O-N 3.24Å; D7-V112 WeakPolarHBondContact OD1-CG2 3.48Å; I8-V112 PolarHBondContact N-O 2.59Å; V112-V114 HydrophobicContact CB-CG2 4.08Å; V112-V114 HydrophobicContact CG1-CG2 3.68Å; V112-V114 PolarHBondContact O-N 3.25Å; V112-M123 HydrophobicContact CG1-CB 3.8Å; V112-M123 HydrophobicContact CG1-CG 4.1Å; V112-M123 HydrophobicContact CG1-SD 4.47Å; V112-V124 WeakPolarHBondContact CA-O 3.46Å; V112-T125 HydrophobicContact CG2-CG2 4.16Å
113	A	98.1	Very high	94.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	112.6	162.6	0	0	0	0	0	107.1	I37 Y38 I41 M123 V124	I37-A113 HydrophobicContact CD1-CB 4.01Å; I37-A113 HydrophobicContact CG1-CB 4.24Å; I37-A113 HydrophobicContact CG2-CB 3.93Å; Y38-A113 HydrophobicContact CD1-CB 4.08Å; Y38-A113 HydrophobicContact CE1-CB 3.87Å; I41-A113 HydrophobicContact CD1-CB 3.49Å; I41-A113 VanDerWaalsContact CD1-CB 3.49Å; A113-M123 WeakPolarHBondContact O-CA 3.5Å; A113-V124 HydrophobicContact CB-CB 4.28Å; A113-V124 PolarHBondContact N-O 3.5Å; A113-V124 PolarHBondContact O-N 3.08Å
114	V	97.5	Very high	94.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	101	180	179.2	0	0	0	0	107.5	D7 I8 L9 V10 V112 I116 R121 M123 N287	D7-V114 HydrophobicContact CB-CG2 4.01Å; I8-V114 PolarHBondContact O-N 3.08Å; L9-V114 WeakPolarHBondContact CA-O 3.2Å; L9-V114 HydrophobicContact CB-CB 4.47Å; L9-V114 HydrophobicContact CD2-CG1 4.28Å; L9-V114 HydrophobicContact CG-CB 3.95Å; L9-V114 HydrophobicContact CG-CG1 4.03Å; L9-V114 HydrophobicContact CG-CG2 4.5Å; V10-V114 PolarHBondContact N-O 3.38Å; V10-V114 VanDerWaalsContact N-O 3.1Å; V112-V114 HydrophobicContact CB-CG2 4.08Å; V112-V114 HydrophobicContact CG1-CG2 3.68Å; V112-V114 PolarHBondContact O-N 3.25Å; V114-I116 HydrophobicContact CG1-CD1 3.69Å; V114-I116 HydrophobicContact CG1-CG1 4.43Å; V114-R121 HydrophobicContact CG1-CB 4.3Å; V114-M123 HydrophobicContact CG2-CG 4.35Å; V114-N287 HydrophobicContact CG1-CB 4.16Å
115	L	96.8	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.4	179.8	-58.2	-168.2	0	0	0	109.1	V10 A12 M16 Y17 L22 I37 I41 R121 S122	V10-L115 HydrophobicContact CG1-CD2 3.83Å; A12-L115 HydrophobicContact CB-CB 3.62Å; A12-L115 HydrophobicContact CB-CD1 4.31Å; A12-L115 HydrophobicContact CB-CD2 4.16Å; A12-L115 HydrophobicContact CB-CG 4.24Å; M16-L115 HydrophobicContact CE-CD2 3.81Å; M16-L115 HydrophobicContact SD-CD2 4.36Å; Y17-L115 HydrophobicContact CE1-CD1 4.34Å; Y17-L115 PolarHBondContact OH-O 3.48Å; L22-L115 HydrophobicContact CD1-CD1 3.54Å; I37-L115 HydrophobicContact CD1-CD1 4.1Å; I37-L115 HydrophobicContact CD1-CD2 4.23Å; I37-L115 HydrophobicContact CD1-CG 4.42Å; I41-L115 HydrophobicContact CG2-CD2 4.03Å; L115-R121 CarbonylContact O-C 3.48Å; L115-R121 WeakPolarHBondContact O-CA 3.21Å; L115-S122 PolarHBondContact N-O 3.46Å; L115-S122 PolarHBondContact O-N 3.31Å
116	I	94.5	Very high	95.3	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.056	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.9	177.5	-55	-54	0	0	0	109.4	V10 A12 V114 L120 R121 D285	V10-I116 PolarHBondContact O-N 2.83Å; A12-I116 PolarHBondContact N-O 3.4Å; V114-I116 HydrophobicContact CG1-CD1 3.69Å; V114-I116 HydrophobicContact CG1-CG1 4.43Å; I116-L120 WeakPolarHBondContact CA-O 3.44Å; I116-R121 HydrophobicContact CD1-CB 3.69Å; I116-D285 HydrophobicContact CD1-CB 3.94Å; I116-D285 HydrophobicContact CG1-CB 4.21Å; I116-D285 HydrophobicContact CG2-CB 3.88Å
117	S	92.6	Very high	95.5	Very high	15 Å²	15	36.6 Å²	36.6	11%	0.105	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	127.7	174.6	-171.5	0	0	0	0	108.6	Y17 K119 L120	Y17-S117 WeakPolarHBondContact OH-CB 3.22Å; S117-K119 PolarHBondContact O-N 2.97Å; S117-K119 VanDerWaalsContact O-N 3.11Å; S117-L120 PolarHBondContact N-O 2.83Å; S117-L120 WeakPolarHBondContact O-CB 3.12Å; S117-L120 PolarHBondContact O-N 3.38Å
118	E	89.3	Confident	95.6	Very high	154 Å²	154	34.5 Å²	34.5	72%	0.72	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	35.9	-176.1	-60.3	172.1	-146.2	0	0	112.9	K24 L120	K24-E118 IonicContact NZ-OE1 3.51Å; E118-L120 PolarHBondContact O-N 3.19Å; E118-L120 VanDerWaalsContact O-N 3.12Å
119	K	87.2	Confident	95.6	Very high	57 Å²	57	27.3 Å²	27.3	25%	0.248	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	-5.8	-175.1	-48.1	155.2	171.7	171.4	0	115.2	S117 D280 M283 T286	S117-K119 PolarHBondContact O-N 2.97Å; S117-K119 VanDerWaalsContact O-N 3.11Å; K119-D280 WeakPolarHBondContact CE-O 3.4Å; K119-D280 PolarHBondContact NZ-O 2.78Å; K119-D280 IonicContact NZ-OD1 3.79Å; K119-D280 PolarHBondContact NZ-OD1 2.73Å; K119-M283 HydrophobicContact CD-CB 3.86Å; K119-M283 WeakPolarHBondContact CE-O 3.29Å; K119-T286 PolarHBondContact O-N 3.16Å; K119-T286 PolarHBondContact O-OG1 3.14Å
120	L	88.9	Confident	95.6	Very high	70 Å²	70	27.1 Å²	27.1	37%	0.366	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	151	172.2	-61.7	179.6	0	0	0	110	D25 I116 S117 E118	D25-L120 HydrophobicContact CB-CB 4.21Å; D25-L120 HydrophobicContact CB-CD1 4.12Å; I116-L120 WeakPolarHBondContact CA-O 3.44Å; S117-L120 PolarHBondContact N-O 2.83Å; S117-L120 WeakPolarHBondContact O-CB 3.12Å; S117-L120 PolarHBondContact O-N 3.38Å; E118-L120 PolarHBondContact O-N 3.19Å; E118-L120 VanDerWaalsContact O-N 3.12Å
121	R	90.4	Very high	95.6	Very high	52 Å²	52	29.9 Å²	29.9	20%	0.196	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.5	-176.1	76.7	-61.7	177.9	-110.2	1.9	111	D25 V114 L115 I116 T286 N287	D25-R121 CarbonylContact C-O 3.51Å; D25-R121 VanDerWaalsContact CA-O 3.32Å; D25-R121 WeakPolarHBondContact CA-O 3.41Å; D25-R121 PolarHBondContact O-NH1 3.23Å; D25-R121 IonicContact OD1-CZ 2.69Å; D25-R121 IonicContact OD1-NH1 3.44Å; D25-R121 PolarHBondContact OD1-NH1 2.96Å; D25-R121 IonicContact OD2-NH1 2.84Å; D25-R121 PolarHBondContact OD2-NH1 3.19Å; V114-R121 HydrophobicContact CG1-CB 4.3Å; L115-R121 CarbonylContact O-C 3.48Å; L115-R121 WeakPolarHBondContact O-CA 3.21Å; I116-R121 HydrophobicContact CD1-CB 3.69Å; R121-T286 VanDerWaalsContact CD-OG1 3.31Å; R121-T286 WeakPolarHBondContact CD-OG1 3.32Å; R121-N287 HydrophobicContact CB-CB 4.38Å
122	S	94	Very high	95.5	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.3	162.3	-66.2	0	0	0	0	110.3	Y17 Q23 K24 D25 N26 L115	Y17-S122 WeakPolarHBondContact CE1-OG 3.36Å; Q23-S122 PolarHBondContact O-OG 3.42Å; K24-S122 VanDerWaalsContact CA-OG 3.29Å; K24-S122 WeakPolarHBondContact CA-OG 3.21Å; D25-S122 PolarHBondContact N-OG 3.47Å; N26-S122 CarbonylContact O-C 3.42Å; N26-S122 WeakPolarHBondContact O-CA 3.4Å; L115-S122 PolarHBondContact N-O 3.46Å; L115-S122 PolarHBondContact O-N 3.31Å
123	M	96.5	Very high	95.5	Very high	36 Å²	36	28.4 Å²	28.4	18%	0.177	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.9	-172.2	-64.7	-173.1	-66.4	0	0	111.1	N26 A27 I28 V112 A113 V114	N26-M123 PolarHBondContact O-N 2.99Å; A27-M123 WeakPolarHBondContact CA-O 3.37Å; A27-M123 HydrophobicContact CB-CB 4.14Å; A27-M123 HydrophobicContact CB-CE 3.66Å; I28-M123 PolarHBondContact N-O 2.99Å; V112-M123 HydrophobicContact CG1-CB 3.8Å; V112-M123 HydrophobicContact CG1-CG 4.1Å; V112-M123 HydrophobicContact CG1-SD 4.47Å; A113-M123 WeakPolarHBondContact O-CA 3.5Å; V114-M123 HydrophobicContact CG2-CG 4.35Å
124	V	97.9	Very high	95.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	110.8	171.8	-174.2	0	0	0	0	108.1	L22 I28 A30 H34 I37 Y38 V112 A113	L22-V124 HydrophobicContact CD1-CG2 3.55Å; L22-V124 HydrophobicContact CD2-CG2 3.57Å; L22-V124 HydrophobicContact CG-CG2 4.22Å; I28-V124 HydrophobicContact CD1-CG1 4.34Å; I28-V124 HydrophobicContact CD1-CG2 4.26Å; I28-V124 HydrophobicContact CG1-CB 4.41Å; I28-V124 HydrophobicContact CG1-CG1 4.25Å; I28-V124 HydrophobicContact CG1-CG2 4.09Å; A30-V124 HydrophobicContact CB-CG1 3.75Å; H34-V124 HydrophobicContact CB-CG1 3.92Å; I37-V124 HydrophobicContact CD1-CB 4.5Å; I37-V124 HydrophobicContact CD1-CG2 4.16Å; Y38-V124 PolarHBondContact OH-O 3.42Å; V112-V124 WeakPolarHBondContact CA-O 3.46Å; A113-V124 HydrophobicContact CB-CB 4.28Å; A113-V124 PolarHBondContact N-O 3.5Å; A113-V124 PolarHBondContact O-N 3.08Å
125	T	98.3	Very high	95.5	Very high	18 Å²	18	32.7 Å²	32.7	11%	0.11	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.2	-167.3	-61	0	0	0	0	112.3	L5 I28 L29 A30 V112 L127	L5-T125 HydrophobicContact CD1-CG2 3.81Å; I28-T125 PolarHBondContact O-N 3.33Å; L29-T125 WeakPolarHBondContact CA-O 3.4Å; L29-T125 HydrophobicContact CD2-CG2 4.32Å; A30-T125 WeakPolarHBondContact CB-O 3.32Å; A30-T125 PolarHBondContact N-O 2.99Å; V112-T125 HydrophobicContact CG2-CG2 4.16Å; T125-L127 HydrophobicContact CG2-CD2 3.87Å; T125-L127 HydrophobicContact CG2-CG 4.29Å
126	Y	98.3	Very high	95.6	Very high	74 Å²	74	35.9 Å²	35.9	29%	0.29	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	108.5	164.6	176.7	-103.8	0	0	0	109.4	M35 Y38 G110 K111 G128	M35-Y126 HydrophobicContact CE-CD2 3.88Å; M35-Y126 HydrophobicContact CE-CE2 4.01Å; M35-Y126 HydrophobicContact CE-CG 4.27Å; M35-Y126 HydrophobicContact SD-CD2 3.94Å; M35-Y126 HydrophobicContact SD-CE2 4.41Å; Y38-Y126 WeakPolarHBondContact OH-CB 3.4Å; Y38-Y126 PolarHBondContact OH-N 3.03Å; G110-Y126 CarbonylContact C-O 3.58Å; G110-Y126 WeakPolarHBondContact CA-O 3.49Å; K111-Y126 HydrophobicContact CG-CD1 4.33Å; K111-Y126 PolarHBondContact N-O 3.42Å; K111-Y126 PolarHBondContact O-N 2.9Å; Y126-G128 VanDerWaalsContact C-N 3.31Å; Y126-G128 VanDerWaalsContact CE1-CA 3.5Å; Y126-G128 PolarHBondContact O-N 3.14Å
127	L	97.8	Very high	95.8	Very high	20 Å²	20	36 Å²	36	11%	0.105	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	-30	-171.8	-67.9	168.5	0	0	0	113.6	L29 G110 T125 A129 A130 C131 N161 T162	L29-L127 HydrophobicContact CD1-CD1 4.33Å; L29-L127 HydrophobicContact CD2-CD1 3.8Å; L29-L127 HydrophobicContact CD2-CD2 4.24Å; L29-L127 HydrophobicContact CD2-CG 3.9Å; G110-L127 VanDerWaalsContact CA-O 3.26Å; G110-L127 WeakPolarHBondContact CA-O 3.4Å; T125-L127 HydrophobicContact CG2-CD2 3.87Å; T125-L127 HydrophobicContact CG2-CG 4.29Å; L127-A129 PolarHBondContact O-N 2.9Å; L127-A130 WeakPolarHBondContact O-CB 3.38Å; L127-A130 PolarHBondContact O-N 3.05Å; L127-C131 WeakPolarHBondContact CB-SG 3.31Å; L127-N161 HydrophobicContact CD1-CB 4.38Å; L127-T162 HydrophobicContact CB-CG2 4.39Å; L127-T162 HydrophobicContact CD1-CG2 3.8Å; L127-T162 HydrophobicContact CD2-CG2 3.89Å; L127-T162 HydrophobicContact CG-CG2 4.24Å
128	G	97.8	Very high	96.1	Very high	4 Å²	4	35.3 Å²	35.3	4%	0.041	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.7	-130	177.9	0	0	0	0	0	112.8	Y126 A130 C131	Y126-G128 VanDerWaalsContact C-N 3.31Å; Y126-G128 VanDerWaalsContact CE1-CA 3.5Å; Y126-G128 PolarHBondContact O-N 3.14Å; G128-A130 PolarHBondContact O-N 2.98Å; G128-A130 VanDerWaalsContact O-N 3.08Å; G128-C131 PolarHBondContact O-N 3.15Å
129	A	98.5	Very high	96.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.4	-20	-179.9	0	0	0	0	0	114.5	C77 T103 L107 K108 L127 C131 D132	C77-A129 VanDerWaalsContact CB-O 3.29Å; C77-A129 WeakPolarHBondContact CB-O 3.39Å; C77-A129 PolarHBondContact SG-O 3.34Å; T103-A129 HydrophobicContact CG2-CB 3.69Å; L107-A129 HydrophobicContact CB-CB 4.42Å; K108-A129 WeakPolarHBondContact O-CB 3.32Å; K108-A129 PolarHBondContact O-N 2.94Å; L127-A129 PolarHBondContact O-N 2.9Å; A129-C131 PolarHBondContact O-N 2.93Å; A129-D132 WeakPolarHBondContact O-CB 3.26Å; A129-D132 PolarHBondContact O-N 3.15Å
130	A	98.3	Very high	97.1	Very high	1 Å²	1	33 Å²	33	1%	0.008	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-60.4	-31.5	177.7	0	0	0	0	0	112.2	N3 L5 L127 G128 D132 L133 T162	N3-A130 HydrophobicContact CB-CB 3.94Å; L5-A130 HydrophobicContact CD2-CB 4.43Å; L127-A130 WeakPolarHBondContact O-CB 3.38Å; L127-A130 PolarHBondContact O-N 3.05Å; G128-A130 PolarHBondContact O-N 2.98Å; G128-A130 VanDerWaalsContact O-N 3.08Å; A130-D132 PolarHBondContact O-N 3.28Å; A130-L133 WeakPolarHBondContact O-CB 3.22Å; A130-L133 PolarHBondContact O-N 3.21Å; A130-T162 HydrophobicContact CB-CG2 4.17Å
131	C	97.5	Very high	97.5	Very high	58 Å²	58	35 Å²	35	39%	0.392	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-66	-15.5	174.9	-65.8	0	0	0	0	114.2	L127 G128 A129	L127-C131 WeakPolarHBondContact CB-SG 3.31Å; G128-C131 PolarHBondContact O-N 3.15Å; A129-C131 PolarHBondContact O-N 2.93Å
132	D	97.8	Very high	97.9	Very high	16 Å²	16	37.1 Å²	37.1	9%	0.086	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-91.1	-2	179	-87.9	10.1	0	0	0	113.3	Q101 T103 K105 A129 A130 S134	Q101-D132 PolarHBondContact NE2-O 2.81Å; Q101-D132 PolarHBondContact OE1-O 2.92Å; T103-D132 WeakPolarHBondContact CB-OD2 3.3Å; T103-D132 PolarHBondContact OG1-OD2 2.65Å; K105-D132 WeakPolarHBondContact CB-OD2 3.37Å; K105-D132 WeakPolarHBondContact CD-OD1 3.34Å; K105-D132 VanDerWaalsContact CD-OD2 3.23Å; K105-D132 WeakPolarHBondContact CD-OD2 3.42Å; K105-D132 VanDerWaalsContact CE-OD1 3.27Å; K105-D132 WeakPolarHBondContact CE-OD1 3.12Å; K105-D132 VanDerWaalsContact CG-OD2 3.26Å; K105-D132 WeakPolarHBondContact CG-OD2 3.38Å; K105-D132 IonicContact NZ-OD1 3.68Å; K105-D132 PolarHBondContact NZ-OD1 2.94Å; K105-D132 IonicContact NZ-OD2 3.08Å; A129-D132 WeakPolarHBondContact O-CB 3.26Å; A129-D132 PolarHBondContact O-N 3.15Å; A130-D132 PolarHBondContact O-N 3.28Å; D132-S134 PolarHBondContact O-N 3.25Å; D132-S134 VanDerWaalsContact O-N 3.12Å
133	L	98.3	Very high	98.1	Very high	6 Å²	6	37 Å²	37	3%	0.031	21%	0.206	C	C	.	.			trans	-57.7	120.9	170.7	-178.4	62.7	0	0	0	108.9	M1 V75 C77 Q101 A130 I138 C163	M1-L133 HydrophobicContact CG-CD2 3.83Å; M1-L133 HydrophobicContact SD-CD2 3.91Å; V75-L133 HydrophobicContact CG1-CD1 4.38Å; C77-L133 HydrophobicContact CB-CB 3.71Å; C77-L133 HydrophobicContact CB-CD1 4.33Å; Q101-L133 HydrophobicContact CB-CD1 4.4Å; A130-L133 WeakPolarHBondContact O-CB 3.22Å; A130-L133 PolarHBondContact O-N 3.21Å; L133-I138 HydrophobicContact CD1-CG1 4.33Å; L133-I138 HydrophobicContact CD2-CD1 4.35Å; L133-I138 HydrophobicContact CG-CD1 4.27Å; L133-C163 HydrophobicContact CB-CB 4.09Å; L133-C163 HydrophobicContact CD2-CB 3.9Å; L133-C163 HydrophobicContact CG-CB 3.99Å; L133-C163 PolarHBondContact O-SG 3.31Å
134	S	97.7	Very high	98.2	Very high	38 Å²	38	37 Å²	37	27%	0.266	20%	0.204	S	C	.	.			trans	-112.9	148.6	-172.6	64.7	0	0	0	0	111.9	Q101 D132 A136 H137 I138	Q101-S134 PolarHBondContact OE1-OG 2.78Å; Q101-S134 VanDerWaalsContact OE1-OG 3.1Å; D132-S134 PolarHBondContact O-N 3.25Å; D132-S134 VanDerWaalsContact O-N 3.12Å; S134-A136 PolarHBondContact O-N 3.26Å; S134-H137 PolarHBondContact O-N 3.39Å; S134-H137 VanDerWaalsContact O-N 3.11Å; S134-H137 WeakPolarHBondContact OG-CB 3.44Å; S134-H137 PolarHBondContact OG-N 3.46Å; S134-H137 VanDerWaalsContact OG-N 3.15Å; S134-I138 WeakPolarHBondContact O-CG1 3.25Å; S134-I138 PolarHBondContact O-N 3.45Å; S134-I138 VanDerWaalsContact O-N 3.15Å
135	L	98.2	Very high	98.2	Very high	53 Å²	53	38.2 Å²	38.2	28%	0.277	21%	0.213	S	C	.	.	H	α-helix	trans	-55.6	-40.6	169.3	179.5	61.8	0	0	0	110.9	H137 I138 E139 E165 K169	L135-H137 VanDerWaalsContact C-N 3.27Å; L135-H137 PolarHBondContact O-N 2.84Å; L135-I138 WeakPolarHBondContact O-CB 3.24Å; L135-I138 PolarHBondContact O-N 3.04Å; L135-E139 HydrophobicContact CD1-CG 3.95Å; L135-E139 HydrophobicContact CG-CG 4.1Å; L135-E139 WeakPolarHBondContact O-CB 3.31Å; L135-E139 VanDerWaalsContact O-CG 3.28Å; L135-E139 WeakPolarHBondContact O-CG 3.01Å; L135-E139 PolarHBondContact O-N 3.32Å; L135-E165 HydrophobicContact CD2-CB 4.38Å; L135-K169 HydrophobicContact CD1-CB 4.19Å; L135-K169 HydrophobicContact CD1-CD 3.74Å
136	A	98.3	Very high	98.2	Very high	66 Å²	66	38.8 Å²	38.8	55%	0.545	22%	0.216	S	C	.	.	H	α-helix	trans	-58.7	-34.8	177.7	0	0	0	0	0	113.3	S134 Q140	S134-A136 PolarHBondContact O-N 3.26Å; A136-Q140 VanDerWaalsContact O-CG 3.3Å; A136-Q140 WeakPolarHBondContact O-CG 3.07Å
137	H	98.3	Very high	98.2	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.06	20%	0.204	C	C	.	.	H	α-helix	trans	-71.7	-44.4	172.7	176.6	70.9	0	0	0	111.8	D99 Q101 S134 L135 E139 Q140 V143	D99-H137 IonicContact OD1-CE1 3.31Å; D99-H137 PolarHBondContact OD1-CE1 2.95Å; D99-H137 IonicContact OD1-NE2 3.99Å; Q101-H137 HydrophobicContact CB-CB 4.42Å; Q101-H137 HydrophobicContact CG-CB 4.21Å; Q101-H137 PolarHBondContact N-NE2 3.06Å; S134-H137 PolarHBondContact O-N 3.39Å; S134-H137 VanDerWaalsContact O-N 3.11Å; S134-H137 WeakPolarHBondContact OG-CB 3.44Å; S134-H137 PolarHBondContact OG-N 3.46Å; S134-H137 VanDerWaalsContact OG-N 3.15Å; L135-H137 VanDerWaalsContact C-N 3.27Å; L135-H137 PolarHBondContact O-N 2.84Å; H137-E139 PolarHBondContact O-N 2.7Å; H137-Q140 WeakPolarHBondContact O-CB 3.07Å; H137-Q140 WeakPolarHBondContact O-CG 3.47Å; H137-Q140 PolarHBondContact O-N 2.81Å; H137-Q140 VanDerWaalsContact O-N 3.09Å; H137-V143 WeakPolarHBondContact O-CG2 3.35Å
138	I	98.4	Very high	98.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-36.3	178.4	-66.1	164.3	0	0	0	111.4	M1 V75 L133 S134 L135 Q140 W144 I170	M1-I138 HydrophobicContact SD-CD1 3.44Å; M1-I138 WeakPolarHBondContact SD-CD1 3.44Å; M1-I138 HydrophobicContact SD-CG1 4.23Å; V75-I138 HydrophobicContact CG1-CG1 4.44Å; L133-I138 HydrophobicContact CD1-CG1 4.33Å; L133-I138 HydrophobicContact CD2-CD1 4.35Å; L133-I138 HydrophobicContact CG-CD1 4.27Å; S134-I138 WeakPolarHBondContact O-CG1 3.25Å; S134-I138 PolarHBondContact O-N 3.45Å; S134-I138 VanDerWaalsContact O-N 3.15Å; L135-I138 WeakPolarHBondContact O-CB 3.24Å; L135-I138 PolarHBondContact O-N 3.04Å; I138-Q140 VanDerWaalsContact C-N 3.3Å; I138-Q140 PolarHBondContact O-N 2.97Å; I138-W144 HydrophobicContact CG2-CE3 3.91Å; I138-W144 HydrophobicContact CG2-CZ3 3.85Å; I138-W144 PolarHBondContact O-N 3.19Å; I138-I170 HydrophobicContact CG2-CD1 4.29Å; I138-I170 HydrophobicContact CG2-CG1 4.47Å
139	E	98.5	Very high	98.3	Very high	83 Å²	83	46.9 Å²	46.9	39%	0.388	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.5	179.6	-69.7	179.1	147.8	0	0	114.3	L135 H137 K169	L135-E139 HydrophobicContact CD1-CG 3.95Å; L135-E139 HydrophobicContact CG-CG 4.1Å; L135-E139 WeakPolarHBondContact O-CB 3.31Å; L135-E139 VanDerWaalsContact O-CG 3.28Å; L135-E139 WeakPolarHBondContact O-CG 3.01Å; L135-E139 PolarHBondContact O-N 3.32Å; H137-E139 PolarHBondContact O-N 2.7Å; E139-K169 HydrophobicContact CG-CD 4.25Å; E139-K169 IonicContact OE1-NZ 3.61Å; E139-K169 PolarHBondContact OE1-NZ 3.19Å
140	Q	98.6	Very high	98.3	Very high	80 Å²	80	48.2 Å²	48.2	37%	0.374	26%	0.264	S	S	.	.	S	Bend	trans	-61.6	137.4	177.6	-64.2	-175.4	22.4	0	0	109.7	A136 H137 I138 H142 V143 W144	A136-Q140 VanDerWaalsContact O-CG 3.3Å; A136-Q140 WeakPolarHBondContact O-CG 3.07Å; H137-Q140 WeakPolarHBondContact O-CB 3.07Å; H137-Q140 WeakPolarHBondContact O-CG 3.47Å; H137-Q140 PolarHBondContact O-N 2.81Å; H137-Q140 VanDerWaalsContact O-N 3.09Å; I138-Q140 VanDerWaalsContact C-N 3.3Å; I138-Q140 PolarHBondContact O-N 2.97Å; Q140-H142 PolarHBondContact O-N 3.41Å; Q140-H142 PolarHBondContact OE1-CE1 2.89Å; Q140-V143 HydrophobicContact CB-CG2 4.21Å; Q140-V143 PolarHBondContact O-N 3.43Å; Q140-W144 PolarHBondContact O-N 3.2Å
141	P	98.6	Very high	98.3	Very high	112 Å²	112	54.3 Å²	54.3	73%	0.727	29%	0.292	S	S	*	.	H	α-helix	trans	-53.2	-37.1	-171.2	-31.1	35.3	0	0	0	114.8	S145	P141-S145 VanDerWaalsContact O-CB 3.29Å; P141-S145 WeakPolarHBondContact O-CB 3.23Å; P141-S145 PolarHBondContact O-N 2.66Å
142	H	97.9	Very high	98.3	Very high	96 Å²	96	53.8 Å²	53.8	44%	0.444	29%	0.287	S	S	.	.	H	α-helix	trans	-70.5	-37.8	179.1	61.9	-86.6	0	0	0	112.6	D99 Q140 S145	D99-H142 IonicContact OD2-CD2 2.73Å; D99-H142 PolarHBondContact OD2-CD2 3.29Å; D99-H142 IonicContact OD2-NE2 3.7Å; Q140-H142 PolarHBondContact O-N 3.41Å; Q140-H142 PolarHBondContact OE1-CE1 2.89Å; H142-S145 PolarHBondContact O-OG 3.31Å
143	V	98.5	Very high	98.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-72.3	-49.7	175.8	-172.3	0	0	0	0	110.6	V75 D99 H137 Q140 S145 L146	V75-V143 HydrophobicContact CG1-CG1 3.88Å; V75-V143 HydrophobicContact CG2-CG1 3.8Å; D99-V143 HydrophobicContact CB-CG2 4.35Å; H137-V143 WeakPolarHBondContact O-CG2 3.35Å; Q140-V143 HydrophobicContact CB-CG2 4.21Å; Q140-V143 PolarHBondContact O-N 3.43Å; V143-S145 PolarHBondContact O-N 2.97Å; V143-L146 VanDerWaalsContact O-CB 3.22Å; V143-L146 WeakPolarHBondContact O-CB 3.38Å; V143-L146 PolarHBondContact O-N 3.08Å
144	W	98.6	Very high	98.4	Very high	36 Å²	36	54.2 Å²	54.2	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-31.4	-179.4	-163.5	-105	0	0	0	112.1	I138 Q140 L146 V147 E148 K169 I170 H173	I138-W144 HydrophobicContact CG2-CE3 3.91Å; I138-W144 HydrophobicContact CG2-CZ3 3.85Å; I138-W144 PolarHBondContact O-N 3.19Å; Q140-W144 PolarHBondContact O-N 3.2Å; W144-L146 PolarHBondContact O-N 2.96Å; W144-L146 VanDerWaalsContact O-N 3.15Å; W144-V147 HydrophobicContact CD2-CB 4.23Å; W144-V147 HydrophobicContact CD2-CG1 4.47Å; W144-V147 HydrophobicContact CE3-CB 4.12Å; W144-V147 HydrophobicContact CE3-CG1 4.29Å; W144-V147 HydrophobicContact CE3-CG2 3.96Å; W144-V147 HydrophobicContact CH2-CG1 3.94Å; W144-V147 HydrophobicContact CZ2-CG1 4.14Å; W144-V147 HydrophobicContact CZ3-CB 4.34Å; W144-V147 HydrophobicContact CZ3-CG1 4.04Å; W144-V147 HydrophobicContact CZ3-CG2 4.15Å; W144-V147 WeakPolarHBondContact O-CA 3.46Å; W144-V147 VanDerWaalsContact O-CB 3.3Å; W144-V147 WeakPolarHBondContact O-CB 3.28Å; W144-V147 PolarHBondContact O-N 3.17Å; W144-E148 PolarHBondContact O-N 3.11Å; W144-K169 HydrophobicContact CH2-CB 4.5Å; W144-K169 HydrophobicContact CH2-CD 3.92Å; W144-K169 HydrophobicContact CH2-CG 3.73Å; W144-K169 HydrophobicContact CZ3-CD 4.07Å; W144-K169 HydrophobicContact CZ3-CG 4.2Å; W144-I170 HydrophobicContact CH2-CG1 4.47Å; W144-I170 HydrophobicContact CZ3-CG1 4.08Å; W144-H173 HydrophobicContact CH2-CB 4.2Å; W144-H173 HydrophobicContact CZ2-CB 4.05Å
145	S	98.5	Very high	98.5	Very high	28 Å²	28	52.6 Å²	52.6	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-26.5	172.6	83.1	0	0	0	0	113.5	P141 H142 V143 K149	P141-S145 VanDerWaalsContact O-CB 3.29Å; P141-S145 WeakPolarHBondContact O-CB 3.23Å; P141-S145 PolarHBondContact O-N 2.66Å; H142-S145 PolarHBondContact O-OG 3.31Å; V143-S145 PolarHBondContact O-N 2.97Å; S145-K149 WeakPolarHBondContact O-CB 3.38Å; S145-K149 WeakPolarHBondContact O-CD 3.5Å; S145-K149 WeakPolarHBondContact O-CG 3.5Å; S145-K149 PolarHBondContact O-N 3.12Å; S145-K149 VanDerWaalsContact O-N 3.14Å
146	L	98.3	Very high	98.5	Very high	30 Å²	30	50 Å²	50	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-71.7	-39.9	173.2	-55.2	174.7	0	0	0	110.6	V75 D99 V143 W144 K149 A150	V75-L146 HydrophobicContact CG2-CD1 4.42Å; D99-L146 HydrophobicContact CB-CD1 4.26Å; V143-L146 VanDerWaalsContact O-CB 3.22Å; V143-L146 WeakPolarHBondContact O-CB 3.38Å; V143-L146 PolarHBondContact O-N 3.08Å; W144-L146 PolarHBondContact O-N 2.96Å; W144-L146 VanDerWaalsContact O-N 3.15Å; L146-K149 PolarHBondContact O-N 3.01Å; L146-A150 WeakPolarHBondContact O-CB 3.21Å; L146-A150 PolarHBondContact O-N 2.95Å; L146-A150 VanDerWaalsContact O-N 3.08Å
147	V	98.6	Very high	98.5	Very high	8 Å²	8	46.9 Å²	46.9	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-47.3	175.2	178.4	0	0	0	0	109.9	W144 K149 A150 Y153 I170	W144-V147 HydrophobicContact CD2-CB 4.23Å; W144-V147 HydrophobicContact CD2-CG1 4.47Å; W144-V147 HydrophobicContact CE3-CB 4.12Å; W144-V147 HydrophobicContact CE3-CG1 4.29Å; W144-V147 HydrophobicContact CE3-CG2 3.96Å; W144-V147 HydrophobicContact CH2-CG1 3.94Å; W144-V147 HydrophobicContact CZ2-CG1 4.14Å; W144-V147 HydrophobicContact CZ3-CB 4.34Å; W144-V147 HydrophobicContact CZ3-CG1 4.04Å; W144-V147 HydrophobicContact CZ3-CG2 4.15Å; W144-V147 WeakPolarHBondContact O-CA 3.46Å; W144-V147 VanDerWaalsContact O-CB 3.3Å; W144-V147 WeakPolarHBondContact O-CB 3.28Å; W144-V147 PolarHBondContact O-N 3.17Å; V147-K149 PolarHBondContact O-N 3.35Å; V147-A150 PolarHBondContact O-N 3.14Å; V147-Y153 HydrophobicContact CG1-CE1 3.92Å; V147-Y153 WeakPolarHBondContact O-CE1 3.39Å; V147-Y153 PolarHBondContact O-OH 3.11Å; V147-I170 HydrophobicContact CG1-CG1 4.17Å; V147-I170 HydrophobicContact CG1-CG2 4.29Å; V147-I170 HydrophobicContact CG2-CD1 4.11Å; V147-I170 HydrophobicContact CG2-CG1 4.08Å
148	E	98.6	Very high	98.4	Very high	106 Å²	106	48.1 Å²	48.1	50%	0.495	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-35.1	-179.7	-68.6	175.9	146.5	0	0	113.2	W144 K179	W144-E148 PolarHBondContact O-N 3.11Å; E148-K179 PolarHBondContact O-NZ 3.37Å
149	K	98.1	Very high	98.5	Very high	153 Å²	153	48.1 Å²	48.1	67%	0.665	24%	0.242	S	C	*	.	H	α-helix	trans	-76.4	-33.9	178.8	-73.8	168.7	-173.7	164.2	0	113.2	S145 L146 V147 Q151	S145-K149 WeakPolarHBondContact O-CB 3.38Å; S145-K149 WeakPolarHBondContact O-CD 3.5Å; S145-K149 WeakPolarHBondContact O-CG 3.5Å; S145-K149 PolarHBondContact O-N 3.12Å; S145-K149 VanDerWaalsContact O-N 3.14Å; L146-K149 PolarHBondContact O-N 3.01Å; V147-K149 PolarHBondContact O-N 3.35Å; K149-Q151 PolarHBondContact O-NE2 2.93Å
150	A	98.4	Very high	98.4	Very high	29 Å²	29	44.8 Å²	44.8	24%	0.24	23%	0.226	C	C	.	.			trans	-60	139.2	-177.9	0	0	0	0	0	111.2	L146 V147 Y153 K179	L146-A150 WeakPolarHBondContact O-CB 3.21Å; L146-A150 PolarHBondContact O-N 2.95Å; L146-A150 VanDerWaalsContact O-N 3.08Å; V147-A150 PolarHBondContact O-N 3.14Å; A150-Y153 HydrophobicContact CB-CD1 4.28Å; A150-Y153 HydrophobicContact CB-CE1 3.71Å; A150-Y153 PolarHBondContact O-OH 3.14Å; A150-K179 VanDerWaalsContact O-CD 3.23Å; A150-K179 WeakPolarHBondContact O-CD 3.38Å; A150-K179 WeakPolarHBondContact O-CE 3.37Å; A150-K179 PolarHBondContact O-NZ 3.19Å
151	Q	98.2	Very high	98.4	Very high	129 Å²	129	43.3 Å²	43.3	60%	0.603	22%	0.221	S	C	*	.	S	Bend	trans	-100.4	-17.9	172.9	-59.8	-57.4	-55.9	0	0	112.1	K149 L180	K149-Q151 PolarHBondContact O-NE2 2.93Å; Q151-L180 PolarHBondContact O-N 2.85Å; Q151-L180 VanDerWaalsContact O-N 3.09Å
152	V	98.6	Very high	98.3	Very high	47 Å²	47	39 Å²	39	29%	0.285	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.1	-177.5	-173.7	0	0	0	0	108.5	L180 I298 I302	V152-L180 CarbonylContact C-O 3.6Å; V152-L180 VanDerWaalsContact CA-O 3.3Å; V152-L180 WeakPolarHBondContact CA-O 3.47Å; V152-L180 HydrophobicContact CG1-CB 4.3Å; V152-L180 HydrophobicContact CG1-CD2 3.96Å; V152-L180 HydrophobicContact CG1-CG 4.1Å; V152-L180 HydrophobicContact CG2-CB 4.21Å; V152-L180 HydrophobicContact CG2-CD2 4.19Å; V152-I298 HydrophobicContact CG1-CG2 4.47Å; V152-I302 HydrophobicContact CB-CG2 4.45Å; V152-I302 HydrophobicContact CG1-CG2 4.03Å; V152-I302 HydrophobicContact CG2-CB 4.24Å; V152-I302 HydrophobicContact CG2-CG2 3.73Å
153	Y	98.8	Very high	98.3	Very high	15 Å²	15	34.8 Å²	34.8	6%	0.059	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.7	175.8	-51.6	-88.2	0	0	0	108.9	V147 A150 I170 H173 S174 K179 L180 F181 C182	V147-Y153 HydrophobicContact CG1-CE1 3.92Å; V147-Y153 WeakPolarHBondContact O-CE1 3.39Å; V147-Y153 PolarHBondContact O-OH 3.11Å; A150-Y153 HydrophobicContact CB-CD1 4.28Å; A150-Y153 HydrophobicContact CB-CE1 3.71Å; A150-Y153 PolarHBondContact O-OH 3.14Å; Y153-I170 HydrophobicContact CD1-CG2 3.54Å; Y153-I170 HydrophobicContact CE1-CG2 3.92Å; Y153-I170 HydrophobicContact CG-CG2 4.09Å; Y153-H173 PolarHBondContact OH-CD2 3.27Å; Y153-H173 VanDerWaalsContact OH-CD2 3.24Å; Y153-H173 PolarHBondContact OH-NE2 3.36Å; Y153-S174 VanDerWaalsContact CD2-CB 3.5Å; Y153-S174 VanDerWaalsContact CE2-CB 3.42Å; Y153-K179 HydrophobicContact CD2-CB 4.46Å; Y153-K179 HydrophobicContact CE2-CB 3.72Å; Y153-K179 HydrophobicContact CE2-CD 3.74Å; Y153-K179 HydrophobicContact CE2-CG 4.41Å; Y153-K179 WeakPolarHBondContact OH-CD 3.3Å; Y153-K179 PolarHBondContact OH-NZ 2.68Å; Y153-K179 VanDerWaalsContact OH-NZ 3.08Å; Y153-L180 WeakPolarHBondContact CD2-O 3.13Å; Y153-L180 PolarHBondContact N-O 3.31Å; Y153-F181 HydrophobicContact CD2-CD2 4.25Å; Y153-F181 HydrophobicContact CG-CD2 4.12Å; Y153-C182 WeakPolarHBondContact O-CA 3.32Å; Y153-C182 WeakPolarHBondContact O-CB 3.3Å; Y153-C182 PolarHBondContact O-N 2.77Å
154	Y	98.8	Very high	98.3	Very high	16 Å²	16	36.5 Å²	36.5	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.5	168.3	178.4	-95.6	0	0	0	108.8	T55 T58 C182 N184 A294 I298	T55-Y154 HydrophobicContact CG2-CD1 4.04Å; T55-Y154 WeakPolarHBondContact CG2-O 3.47Å; T58-Y154 HydrophobicContact CG2-CD1 3.64Å; T58-Y154 HydrophobicContact CG2-CD2 4.42Å; T58-Y154 HydrophobicContact CG2-CE1 3.47Å; T58-Y154 VanDerWaalsContact CG2-CE1 3.47Å; T58-Y154 HydrophobicContact CG2-CE2 4.27Å; T58-Y154 HydrophobicContact CG2-CG 4.11Å; T58-Y154 WeakPolarHBondContact OG1-CE1 3.41Å; T58-Y154 PolarHBondContact OG1-OH 3.28Å; Y154-C182 WeakPolarHBondContact CA-O 3.49Å; Y154-C182 HydrophobicContact CD2-CB 3.82Å; Y154-N184 HydrophobicContact CE2-CB 4.12Å; Y154-N184 WeakPolarHBondContact OH-CB 3.46Å; Y154-N184 PolarHBondContact OH-ND2 2.94Å; Y154-A294 HydrophobicContact CE2-CB 3.98Å; Y154-I298 HydrophobicContact CD2-CD1 3.33Å; Y154-I298 HydrophobicContact CE2-CD1 3.8Å; Y154-I298 HydrophobicContact CG-CD1 4.07Å
155	I	98.8	Very high	98.3	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	125.4	178.5	-52.7	-178.2	0	0	0	108.7	M1 V159 M167 I170 F181 C182 F183 N184	M1-I155 HydrophobicContact CB-CD1 4.3Å; M1-I155 HydrophobicContact CE-CD1 3.88Å; M1-I155 HydrophobicContact CE-CG2 4.47Å; I155-V159 HydrophobicContact CG2-CB 3.98Å; I155-V159 HydrophobicContact CG2-CG2 3.67Å; I155-M167 HydrophobicContact CB-CE 3.82Å; I155-M167 HydrophobicContact CD1-CG 4.25Å; I155-M167 HydrophobicContact CG2-CE 3.43Å; I155-M167 VanDerWaalsContact CG2-CE 3.43Å; I155-M167 HydrophobicContact CG2-CG 4.08Å; I155-M167 HydrophobicContact CG2-SD 3.74Å; I155-I170 HydrophobicContact CD1-CG2 4.24Å; I155-F181 HydrophobicContact CB-CZ 4.25Å; I155-F181 HydrophobicContact CD1-CE2 3.77Å; I155-F181 HydrophobicContact CD1-CZ 3.72Å; I155-F181 HydrophobicContact CG1-CE2 4.31Å; I155-F181 HydrophobicContact CG1-CZ 4.11Å; I155-C182 PolarHBondContact N-O 3.26Å; I155-C182 VanDerWaalsContact N-O 3.12Å; I155-F183 WeakPolarHBondContact O-CD2 3.38Å; I155-N184 PolarHBondContact O-N 3.01Å
156	A	98.5	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	149	172.5	0	0	0	0	0	111.2	A54 T55 F158 V159 S186	A54-A156 HydrophobicContact CB-CB 4.04Å; T55-A156 WeakPolarHBondContact OG1-CB 3.2Å; T55-A156 PolarHBondContact OG1-N 2.95Å; A156-F158 HydrophobicContact CB-CD2 4.13Å; A156-F158 PolarHBondContact O-N 2.88Å; A156-F158 VanDerWaalsContact O-N 3.08Å; A156-V159 PolarHBondContact O-N 2.98Å; A156-S186 WeakPolarHBondContact CB-OG 3.49Å
157	G	98.3	Very high	98.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-57.7	-22.5	179.9	0	0	0	0	0	114.4	V159 I160 N184 S186 L190	G157-V159 PolarHBondContact O-N 3.37Å; G157-I160 VanDerWaalsContact O-CB 3.24Å; G157-I160 WeakPolarHBondContact O-CB 3.46Å; G157-I160 VanDerWaalsContact O-CG1 3.26Å; G157-I160 WeakPolarHBondContact O-CG1 3.45Å; G157-I160 PolarHBondContact O-N 2.91Å; G157-N184 WeakPolarHBondContact CA-O 3.26Å; G157-N184 PolarHBondContact N-O 2.85Å; G157-S186 PolarHBondContact N-OG 3.09Å; G157-L190 VanDerWaalsContact C-CD1 3.44Å
158	F	98	Very high	98.3	Very high	39 Å²	39	37.7 Å²	37.7	17%	0.171	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-56.2	-19	175	-61.5	-58.1	0	0	0	114.9	N3 A54 A156 I160 S186 A187 F189 L190	N3-F158 PolarHBondContact ND2-O 3.26Å; A54-F158 HydrophobicContact CB-CD2 3.84Å; A54-F158 HydrophobicContact CB-CE2 3.81Å; A156-F158 HydrophobicContact CB-CD2 4.13Å; A156-F158 PolarHBondContact O-N 2.88Å; A156-F158 VanDerWaalsContact O-N 3.08Å; F158-I160 PolarHBondContact O-N 2.69Å; F158-S186 WeakPolarHBondContact CZ-O 3.16Å; F158-A187 HydrophobicContact CE1-CB 3.72Å; F158-A187 HydrophobicContact CZ-CB 4.08Å; F158-F189 HydrophobicContact CD1-CE1 4.42Å; F158-F189 HydrophobicContact CD1-CZ 4.08Å; F158-F189 AromaticContact CE1-CE1 3.97Å; F158-F189 HydrophobicContact CE1-CE1 3.97Å; F158-F189 HydrophobicContact CE1-CZ 4.1Å; F158-L190 HydrophobicContact CD1-CD1 4.11Å; F158-L190 HydrophobicContact CE1-CD1 4.38Å
159	V	98.5	Very high	98.3	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-71.3	-19.6	175.4	-177	0	0	0	0	112.4	M1 I155 A156 G157 N161 T162 C163 Y164 M167	M1-V159 HydrophobicContact CE-CG1 3.63Å; I155-V159 HydrophobicContact CG2-CB 3.98Å; I155-V159 HydrophobicContact CG2-CG2 3.67Å; A156-V159 PolarHBondContact O-N 2.98Å; G157-V159 PolarHBondContact O-N 3.37Å; V159-N161 PolarHBondContact O-N 3.47Å; V159-T162 WeakPolarHBondContact CA-OG1 3.47Å; V159-T162 PolarHBondContact O-N 3.21Å; V159-T162 PolarHBondContact O-OG1 3.3Å; V159-C163 HydrophobicContact CG1-CB 4.19Å; V159-C163 CarbonylContact O-C 3.58Å; V159-C163 PolarHBondContact O-N 2.85Å; V159-Y164 PolarHBondContact O-N 2.6Å; V159-M167 HydrophobicContact CB-SD 3.91Å; V159-M167 HydrophobicContact CG1-CB 3.98Å; V159-M167 HydrophobicContact CG1-SD 4.29Å
160	I	98.5	Very high	98.4	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.062	15%	0.145	C	C	.	.	H	α-helix	trans	-55.9	-40	175.1	-67.7	168.7	0	0	0	110.7	G157 F158 T162 Y164 M167 F183 L190 N194 E197 V198	G157-I160 VanDerWaalsContact O-CB 3.24Å; G157-I160 WeakPolarHBondContact O-CB 3.46Å; G157-I160 VanDerWaalsContact O-CG1 3.26Å; G157-I160 WeakPolarHBondContact O-CG1 3.45Å; G157-I160 PolarHBondContact O-N 2.91Å; F158-I160 PolarHBondContact O-N 2.69Å; I160-T162 VanDerWaalsContact C-N 3.32Å; I160-T162 PolarHBondContact O-N 3.13Å; I160-Y164 HydrophobicContact CG1-CD2 4.12Å; I160-Y164 HydrophobicContact CG2-CD2 4.4Å; I160-M167 HydrophobicContact CG1-SD 4.25Å; I160-F183 HydrophobicContact CD1-CZ 4.2Å; I160-L190 HydrophobicContact CB-CD2 4.28Å; I160-L190 HydrophobicContact CD1-CD2 4.39Å; I160-N194 HydrophobicContact CG2-CB 3.85Å; I160-E197 HydrophobicContact CD1-CB 4Å; I160-E197 HydrophobicContact CG1-CB 4.18Å; I160-E197 HydrophobicContact CG2-CB 3.66Å; I160-E197 HydrophobicContact CG2-CG 3.9Å; I160-V198 HydrophobicContact CD1-CG2 3.76Å
161	N	96.8	Very high	98.4	Very high	49 Å²	49	27.8 Å²	27.8	26%	0.262	13%	0.134	S	C	.	.	H	α-helix	trans	-87.4	6.7	179.9	-48.3	116.7	0	0	0	114.3	L29 L127 V159 F189 L190 N194	L29-N161 HydrophobicContact CD1-CB 4.25Å; L127-N161 HydrophobicContact CD1-CB 4.38Å; V159-N161 PolarHBondContact O-N 3.47Å; N161-F189 VanDerWaalsContact OD1-CE2 3.32Å; N161-F189 WeakPolarHBondContact OD1-CE2 3.32Å; N161-L190 WeakPolarHBondContact OD1-CD2 3.31Å; N161-N194 PolarHBondContact ND2-OD1 3.46Å
162	T	97.4	Very high	98.4	Very high	21 Å²	21	25.5 Å²	25.5	13%	0.129	12%	0.122	C	C	.	.	H	α-helix	trans	-124.2	-57.3	176.5	55.7	0	0	0	0	112.9	N3 L127 A130 V159 I160	N3-T162 WeakPolarHBondContact OD1-CG2 3.36Å; N3-T162 PolarHBondContact OD1-OG1 3.29Å; L127-T162 HydrophobicContact CB-CG2 4.39Å; L127-T162 HydrophobicContact CD1-CG2 3.8Å; L127-T162 HydrophobicContact CD2-CG2 3.89Å; L127-T162 HydrophobicContact CG-CG2 4.24Å; A130-T162 HydrophobicContact CB-CG2 4.17Å; V159-T162 WeakPolarHBondContact CA-OG1 3.47Å; V159-T162 PolarHBondContact O-N 3.21Å; V159-T162 PolarHBondContact O-OG1 3.3Å; I160-T162 VanDerWaalsContact C-N 3.32Å; I160-T162 PolarHBondContact O-N 3.13Å
163	C	98.1	Very high	98.4	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.061	11%	0.113	C	C	.	.	H	α-helix	trans	-141.7	59.8	-174.1	-162.2	0	0	0	0	111.5	L133 V159 E165 G166 M167	L133-C163 HydrophobicContact CB-CB 4.09Å; L133-C163 HydrophobicContact CD2-CB 3.9Å; L133-C163 HydrophobicContact CG-CB 3.99Å; L133-C163 PolarHBondContact O-SG 3.31Å; V159-C163 HydrophobicContact CG1-CB 4.19Å; V159-C163 CarbonylContact O-C 3.58Å; V159-C163 PolarHBondContact O-N 2.85Å; C163-E165 VanDerWaalsContact C-N 3.35Å; C163-E165 PolarHBondContact O-N 3.08Å; C163-G166 PolarHBondContact O-N 2.67Å; C163-M167 PolarHBondContact O-N 3.35Å
164	Y	98.5	Very high	98.4	Very high	36 Å²	36	23.5 Å²	23.5	14%	0.141	11%	0.11	C	C	.	.	H	α-helix	trans	-54.3	-47.4	-179.9	-179.2	-117	0	0	0	113	V159 I160 G166 M167 L168 E197 E200 M201	V159-Y164 PolarHBondContact O-N 2.6Å; I160-Y164 HydrophobicContact CG1-CD2 4.12Å; I160-Y164 HydrophobicContact CG2-CD2 4.4Å; Y164-G166 VanDerWaalsContact C-N 3.29Å; Y164-G166 PolarHBondContact O-N 2.95Å; Y164-M167 WeakPolarHBondContact O-CA 2.96Å; Y164-M167 WeakPolarHBondContact O-CB 3.38Å; Y164-M167 PolarHBondContact O-N 3.46Å; Y164-M167 VanDerWaalsContact O-N 3.07Å; Y164-L168 HydrophobicContact CE1-CD2 4.15Å; Y164-L168 WeakPolarHBondContact O-CB 3.38Å; Y164-L168 PolarHBondContact O-N 3.38Å; Y164-E197 HydrophobicContact CD1-CG 4.29Å; Y164-E197 HydrophobicContact CD2-CB 4.07Å; Y164-E197 HydrophobicContact CD2-CG 4.06Å; Y164-E197 HydrophobicContact CE1-CG 4Å; Y164-E197 HydrophobicContact CE2-CB 3.58Å; Y164-E197 HydrophobicContact CE2-CG 3.77Å; Y164-E197 HydrophobicContact CG-CG 4.3Å; Y164-E200 WeakPolarHBondContact OH-CB 3.15Å; Y164-E200 WeakPolarHBondContact OH-CG 3.23Å; Y164-E200 PolarHBondContact OH-OE2 2.86Å; Y164-M201 HydrophobicContact CE2-CG 4.11Å; Y164-M201 HydrophobicContact CE2-SD 4.09Å
165	E	98.3	Very high	98.4	Very high	117 Å²	117	23.5 Å²	23.5	55%	0.547	11%	0.111	S	C	.	.	H	α-helix	trans	-58.9	-39.9	179.5	-65.3	-58.8	145.3	0	0	112.7	L135 C163 K169	L135-E165 HydrophobicContact CD2-CB 4.38Å; C163-E165 VanDerWaalsContact C-N 3.35Å; C163-E165 PolarHBondContact O-N 3.08Å; E165-K169 WeakPolarHBondContact O-CB 3.27Å; E165-K169 PolarHBondContact O-N 3.32Å
166	G	98.6	Very high	98.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.8	-43	174.9	0	0	0	0	0	112.5	C163 Y164 K169 I170	C163-G166 PolarHBondContact O-N 2.67Å; Y164-G166 VanDerWaalsContact C-N 3.29Å; Y164-G166 PolarHBondContact O-N 2.95Å; G166-K169 PolarHBondContact O-N 3.41Å; G166-I170 WeakPolarHBondContact O-CG1 3.26Å; G166-I170 PolarHBondContact O-N 2.98Å; G166-I170 VanDerWaalsContact O-N 3.14Å
167	M	98.7	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-48.5	175.6	177.4	170	-166.1	0	0	111.9	M1 I155 V159 I160 C163 Y164 K169 I170 A171 F181 F183 M201	M1-M167 HydrophobicContact CE-CB 3.58Å; M1-M167 HydrophobicContact CE-CG 4.39Å; M1-M167 VanDerWaalsContact CE-N 3.33Å; I155-M167 HydrophobicContact CB-CE 3.82Å; I155-M167 HydrophobicContact CD1-CG 4.25Å; I155-M167 HydrophobicContact CG2-CE 3.43Å; I155-M167 VanDerWaalsContact CG2-CE 3.43Å; I155-M167 HydrophobicContact CG2-CG 4.08Å; I155-M167 HydrophobicContact CG2-SD 3.74Å; V159-M167 HydrophobicContact CB-SD 3.91Å; V159-M167 HydrophobicContact CG1-CB 3.98Å; V159-M167 HydrophobicContact CG1-SD 4.29Å; I160-M167 HydrophobicContact CG1-SD 4.25Å; C163-M167 PolarHBondContact O-N 3.35Å; Y164-M167 WeakPolarHBondContact O-CA 2.96Å; Y164-M167 WeakPolarHBondContact O-CB 3.38Å; Y164-M167 PolarHBondContact O-N 3.46Å; Y164-M167 VanDerWaalsContact O-N 3.07Å; M167-K169 VanDerWaalsContact C-N 3.35Å; M167-K169 PolarHBondContact O-N 3.12Å; M167-I170 PolarHBondContact O-N 3.26Å; M167-A171 WeakPolarHBondContact O-CB 3.49Å; M167-A171 PolarHBondContact O-N 2.91Å; M167-F181 HydrophobicContact CE-CZ 4.44Å; M167-F183 HydrophobicContact CE-CD2 3.3Å; M167-F183 HydrophobicContact CE-CE2 3.2Å; M167-F183 HydrophobicContact CE-CZ 4.43Å; M167-M201 HydrophobicContact CE-CB 4.39Å; M167-M201 HydrophobicContact CE-CE 3.55Å; M167-M201 HydrophobicContact CE-CG 3.9Å; M167-M201 HydrophobicContact CE-SD 4.2Å; M167-M201 HydrophobicContact CG-CE 3.5Å; M167-M201 VanDerWaalsContact CG-CE 3.5Å; M167-M201 HydrophobicContact CG-CG 4.47Å; M167-M201 HydrophobicContact CG-SD 3.74Å; M167-M201 HydrophobicContact SD-CE 4.17Å; M167-M201 HydrophobicContact SD-CG 4.19Å; M167-M201 HydrophobicContact SD-SD 4.23Å
168	L	98.8	Very high	98.3	Very high	9 Å²	9	41.1 Å²	41.1	5%	0.047	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-41.5	179	-177.6	57.9	0	0	0	111.5	Y164 I170 A171 K172 E200 M201 Y204	Y164-L168 HydrophobicContact CE1-CD2 4.15Å; Y164-L168 WeakPolarHBondContact O-CB 3.38Å; Y164-L168 PolarHBondContact O-N 3.38Å; L168-I170 PolarHBondContact O-N 3.33Å; L168-A171 PolarHBondContact O-N 2.86Å; L168-K172 HydrophobicContact CD1-CD 4.44Å; L168-K172 HydrophobicContact CD1-CG 4.42Å; L168-K172 HydrophobicContact CG-CD 4.26Å; L168-K172 WeakPolarHBondContact O-CG 3.15Å; L168-K172 PolarHBondContact O-N 3.21Å; L168-E200 HydrophobicContact CD1-CG 3.89Å; L168-E200 WeakPolarHBondContact CD1-OE1 3.19Å; L168-M201 HydrophobicContact CD1-SD 4.35Å; L168-Y204 HydrophobicContact CD1-CD2 4.26Å; L168-Y204 HydrophobicContact CD1-CE2 3.48Å; L168-Y204 VanDerWaalsContact CD1-CE2 3.48Å
169	K	98.8	Very high	98.3	Very high	72 Å²	72	40.3 Å²	40.3	31%	0.313	19%	0.192	S	C	.	.	H	α-helix	trans	-62.6	-42.7	177.5	-166	178.9	179.6	173	0	112.3	L135 E139 W144 E165 G166 M167 H173	L135-K169 HydrophobicContact CD1-CB 4.19Å; L135-K169 HydrophobicContact CD1-CD 3.74Å; E139-K169 HydrophobicContact CG-CD 4.25Å; E139-K169 IonicContact OE1-NZ 3.61Å; E139-K169 PolarHBondContact OE1-NZ 3.19Å; W144-K169 HydrophobicContact CH2-CB 4.5Å; W144-K169 HydrophobicContact CH2-CD 3.92Å; W144-K169 HydrophobicContact CH2-CG 3.73Å; W144-K169 HydrophobicContact CZ3-CD 4.07Å; W144-K169 HydrophobicContact CZ3-CG 4.2Å; E165-K169 WeakPolarHBondContact O-CB 3.27Å; E165-K169 PolarHBondContact O-N 3.32Å; G166-K169 PolarHBondContact O-N 3.41Å; M167-K169 VanDerWaalsContact C-N 3.35Å; M167-K169 PolarHBondContact O-N 3.12Å; K169-H173 WeakPolarHBondContact O-CB 3.39Å; K169-H173 PolarHBondContact O-N 2.98Å
170	I	98.8	Very high	98.3	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-65	-40.9	175.9	-67	172.3	0	0	0	110.7	M1 I138 W144 V147 Y153 I155 G166 M167 L168 H173 S174 F181	M1-I170 HydrophobicContact CB-CD1 4.25Å; M1-I170 HydrophobicContact CE-CD1 4.09Å; M1-I170 HydrophobicContact SD-CD1 3.85Å; I138-I170 HydrophobicContact CG2-CD1 4.29Å; I138-I170 HydrophobicContact CG2-CG1 4.47Å; W144-I170 HydrophobicContact CH2-CG1 4.47Å; W144-I170 HydrophobicContact CZ3-CG1 4.08Å; V147-I170 HydrophobicContact CG1-CG1 4.17Å; V147-I170 HydrophobicContact CG1-CG2 4.29Å; V147-I170 HydrophobicContact CG2-CD1 4.11Å; V147-I170 HydrophobicContact CG2-CG1 4.08Å; Y153-I170 HydrophobicContact CD1-CG2 3.54Å; Y153-I170 HydrophobicContact CE1-CG2 3.92Å; Y153-I170 HydrophobicContact CG-CG2 4.09Å; I155-I170 HydrophobicContact CD1-CG2 4.24Å; G166-I170 WeakPolarHBondContact O-CG1 3.26Å; G166-I170 PolarHBondContact O-N 2.98Å; G166-I170 VanDerWaalsContact O-N 3.14Å; M167-I170 PolarHBondContact O-N 3.26Å; L168-I170 PolarHBondContact O-N 3.33Å; I170-H173 PolarHBondContact O-N 3.28Å; I170-S174 WeakPolarHBondContact O-CB 3.49Å; I170-S174 PolarHBondContact O-N 3.48Å; I170-F181 HydrophobicContact CG2-CE2 4.14Å
171	A	98.8	Very high	98.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-45	178.5	0	0	0	0	0	112.5	M167 L168 S174 L175 F181 M201 Y204	M167-A171 WeakPolarHBondContact O-CB 3.49Å; M167-A171 PolarHBondContact O-N 2.91Å; L168-A171 PolarHBondContact O-N 2.86Å; A171-S174 PolarHBondContact O-N 3Å; A171-S174 PolarHBondContact O-OG 3.08Å; A171-L175 PolarHBondContact O-N 3.49Å; A171-L175 VanDerWaalsContact O-N 3.07Å; A171-F181 HydrophobicContact CB-CD2 4.15Å; A171-F181 HydrophobicContact CB-CE1 4.28Å; A171-F181 HydrophobicContact CB-CE2 3.74Å; A171-F181 HydrophobicContact CB-CZ 3.81Å; A171-M201 HydrophobicContact CB-CE 3.39Å; A171-M201 HydrophobicContact CB-SD 4.39Å; A171-Y204 HydrophobicContact CB-CD1 4.43Å; A171-Y204 HydrophobicContact CB-CD2 3.97Å; A171-Y204 HydrophobicContact CB-CG 3.8Å
172	K	98.8	Very high	98.4	Very high	82 Å²	82	38.3 Å²	38.3	36%	0.357	18%	0.181	S	C	.	.	H	α-helix	trans	-57.3	-50.8	172.4	-74.3	174.8	177.5	172.4	0	111.6	L168 S174 L175 E176 Y204	L168-K172 HydrophobicContact CD1-CD 4.44Å; L168-K172 HydrophobicContact CD1-CG 4.42Å; L168-K172 HydrophobicContact CG-CD 4.26Å; L168-K172 WeakPolarHBondContact O-CG 3.15Å; L168-K172 PolarHBondContact O-N 3.21Å; K172-S174 VanDerWaalsContact C-N 3.27Å; K172-S174 PolarHBondContact O-N 3.29Å; K172-L175 PolarHBondContact O-N 3.4Å; K172-L175 VanDerWaalsContact O-N 3.16Å; K172-E176 WeakPolarHBondContact O-CB 3.43Å; K172-E176 VanDerWaalsContact O-CG 3.3Å; K172-E176 WeakPolarHBondContact O-CG 3.18Å; K172-E176 PolarHBondContact O-N 3.14Å; K172-Y204 HydrophobicContact CB-CE1 4.42Å; K172-Y204 WeakPolarHBondContact CE-OH 3.37Å; K172-Y204 HydrophobicContact CG-CD1 4.42Å; K172-Y204 HydrophobicContact CG-CE1 3.59Å
173	H	98.8	Very high	98.5	Very high	20 Å²	20	37.3 Å²	37.3	9%	0.093	18%	0.175	C	C	.	.	H	α-helix	trans	-55.2	-43.2	175.5	172.8	82.9	0	0	0	112	W144 Y153 K169 I170 L175 N177 K179	W144-H173 HydrophobicContact CH2-CB 4.2Å; W144-H173 HydrophobicContact CZ2-CB 4.05Å; Y153-H173 PolarHBondContact OH-CD2 3.27Å; Y153-H173 VanDerWaalsContact OH-CD2 3.24Å; Y153-H173 PolarHBondContact OH-NE2 3.36Å; K169-H173 WeakPolarHBondContact O-CB 3.39Å; K169-H173 PolarHBondContact O-N 2.98Å; I170-H173 PolarHBondContact O-N 3.28Å; H173-L175 PolarHBondContact O-N 3.33Å; H173-N177 PolarHBondContact CE1-ND2 3.2Å; H173-N177 PolarHBondContact ND1-ND2 3.49Å; H173-N177 WeakPolarHBondContact O-CB 3.31Å; H173-N177 PolarHBondContact O-N 3.03Å; H173-N177 VanDerWaalsContact O-N 3.11Å; H173-N177 PolarHBondContact O-ND2 3.09Å; H173-K179 PolarHBondContact NE2-NZ 2.93Å; H173-K179 VanDerWaalsContact NE2-NZ 3.19Å
174	S	98.5	Very high	98.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-42.2	-179.5	80.5	0	0	0	0	112.3	Y153 I170 A171 K172 E178 K179 F181	Y153-S174 VanDerWaalsContact CD2-CB 3.5Å; Y153-S174 VanDerWaalsContact CE2-CB 3.42Å; I170-S174 WeakPolarHBondContact O-CB 3.49Å; I170-S174 PolarHBondContact O-N 3.48Å; A171-S174 PolarHBondContact O-N 3Å; A171-S174 PolarHBondContact O-OG 3.08Å; K172-S174 VanDerWaalsContact C-N 3.27Å; K172-S174 PolarHBondContact O-N 3.29Å; S174-E178 PolarHBondContact O-N 3.42Å; S174-E178 VanDerWaalsContact O-N 3.16Å; S174-K179 PolarHBondContact O-N 3.16Å; S174-F181 WeakPolarHBondContact OG-CB 3.39Å
175	L	98.1	Very high	98.5	Very high	16 Å²	16	35.8 Å²	35.8	8%	0.084	17%	0.169	C	C	.	.	H	α-helix	trans	-71.6	-44.8	-178.9	-175.8	65.5	0	0	0	111.2	A171 K172 H173 N177 E178 Y204 F241 A242 D243	A171-L175 PolarHBondContact O-N 3.49Å; A171-L175 VanDerWaalsContact O-N 3.07Å; K172-L175 PolarHBondContact O-N 3.4Å; K172-L175 VanDerWaalsContact O-N 3.16Å; H173-L175 PolarHBondContact O-N 3.33Å; L175-N177 PolarHBondContact O-N 2.82Å; L175-E178 PolarHBondContact O-N 3.43Å; L175-E178 VanDerWaalsContact O-N 3.16Å; L175-Y204 HydrophobicContact CB-CD1 4Å; L175-Y204 HydrophobicContact CD2-CD1 3.65Å; L175-Y204 HydrophobicContact CD2-CE1 4.07Å; L175-Y204 HydrophobicContact CG-CD1 4.46Å; L175-F241 HydrophobicContact CD1-CD1 4.23Å; L175-A242 HydrophobicContact CD2-CB 3.91Å; L175-D243 HydrophobicContact CD2-CB 4.13Å
176	E	98.2	Very high	98.4	Very high	143 Å²	143	30.9 Å²	30.9	67%	0.668	15%	0.148	S	C	*	.	H	α-helix	trans	-58	-32.7	176.8	-73.7	169.1	-177.6	0	0	112.6	K172	K172-E176 WeakPolarHBondContact O-CB 3.43Å; K172-E176 VanDerWaalsContact O-CG 3.3Å; K172-E176 WeakPolarHBondContact O-CG 3.18Å; K172-E176 PolarHBondContact O-N 3.14Å
177	N	98.3	Very high	98.2	Very high	83 Å²	83	31.1 Å²	31.1	44%	0.444	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	13.9	-178.1	-66	-92.1	0	0	0	113.1	H173 L175 K179	H173-N177 PolarHBondContact CE1-ND2 3.2Å; H173-N177 PolarHBondContact ND1-ND2 3.49Å; H173-N177 WeakPolarHBondContact O-CB 3.31Å; H173-N177 PolarHBondContact O-N 3.03Å; H173-N177 VanDerWaalsContact O-N 3.11Å; H173-N177 PolarHBondContact O-ND2 3.09Å; L175-N177 PolarHBondContact O-N 2.82Å; N177-K179 HydrophobicContact CB-CD 4.16Å; N177-K179 HydrophobicContact CB-CG 4.31Å; N177-K179 PolarHBondContact O-N 3.46Å; N177-K179 VanDerWaalsContact O-N 3.17Å
178	E	97.4	Very high	98	Very high	147 Å²	147	32.8 Å²	32.8	69%	0.687	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	29.2	176.8	-53.9	-167.9	125.1	0	0	115.3	S174 L175	S174-E178 PolarHBondContact O-N 3.42Å; S174-E178 VanDerWaalsContact O-N 3.16Å; L175-E178 PolarHBondContact O-N 3.43Å; L175-E178 VanDerWaalsContact O-N 3.16Å
179	K	98.2	Very high	97.8	Very high	22 Å²	22	33.7 Å²	33.7	10%	0.096	16%	0.163	C	C	.	.			trans	-88.8	166.1	179.3	-66.7	171.3	175.6	-176.2	0	111.9	E148 A150 Y153 H173 S174 N177	E148-K179 PolarHBondContact O-NZ 3.37Å; A150-K179 VanDerWaalsContact O-CD 3.23Å; A150-K179 WeakPolarHBondContact O-CD 3.38Å; A150-K179 WeakPolarHBondContact O-CE 3.37Å; A150-K179 PolarHBondContact O-NZ 3.19Å; Y153-K179 HydrophobicContact CD2-CB 4.46Å; Y153-K179 HydrophobicContact CE2-CB 3.72Å; Y153-K179 HydrophobicContact CE2-CD 3.74Å; Y153-K179 HydrophobicContact CE2-CG 4.41Å; Y153-K179 WeakPolarHBondContact OH-CD 3.3Å; Y153-K179 PolarHBondContact OH-NZ 2.68Å; Y153-K179 VanDerWaalsContact OH-NZ 3.08Å; H173-K179 PolarHBondContact NE2-NZ 2.93Å; H173-K179 VanDerWaalsContact NE2-NZ 3.19Å; S174-K179 PolarHBondContact O-N 3.16Å; N177-K179 HydrophobicContact CB-CD 4.16Å; N177-K179 HydrophobicContact CB-CG 4.31Å; N177-K179 PolarHBondContact O-N 3.46Å; N177-K179 VanDerWaalsContact O-N 3.17Å
180	L	98.4	Very high	97.8	Very high	19 Å²	19	30.2 Å²	30.2	10%	0.099	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	114.7	-178.2	178.9	58.1	0	0	0	111.1	Q151 V152 Y153 R206 I207 I302	Q151-L180 PolarHBondContact O-N 2.85Å; Q151-L180 VanDerWaalsContact O-N 3.09Å; V152-L180 CarbonylContact C-O 3.6Å; V152-L180 VanDerWaalsContact CA-O 3.3Å; V152-L180 WeakPolarHBondContact CA-O 3.47Å; V152-L180 HydrophobicContact CG1-CB 4.3Å; V152-L180 HydrophobicContact CG1-CD2 3.96Å; V152-L180 HydrophobicContact CG1-CG 4.1Å; V152-L180 HydrophobicContact CG2-CB 4.21Å; V152-L180 HydrophobicContact CG2-CD2 4.19Å; Y153-L180 WeakPolarHBondContact CD2-O 3.13Å; Y153-L180 PolarHBondContact N-O 3.31Å; L180-R206 HydrophobicContact CD1-CB 3.68Å; L180-I207 HydrophobicContact CD1-CD1 4.01Å; L180-I207 HydrophobicContact CD1-CG1 4.06Å; L180-I207 HydrophobicContact CD2-CD1 4.06Å; L180-I207 HydrophobicContact CG-CD1 4.47Å; L180-I302 HydrophobicContact CD2-CG2 3.99Å
181	F	98.8	Very high	97.6	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.8	169.6	-162.1	-88.7	0	0	0	111	Y153 I155 M167 I170 A171 S174 F183 M201 S205 R206 I207	Y153-F181 HydrophobicContact CD2-CD2 4.25Å; Y153-F181 HydrophobicContact CG-CD2 4.12Å; I155-F181 HydrophobicContact CB-CZ 4.25Å; I155-F181 HydrophobicContact CD1-CE2 3.77Å; I155-F181 HydrophobicContact CD1-CZ 3.72Å; I155-F181 HydrophobicContact CG1-CE2 4.31Å; I155-F181 HydrophobicContact CG1-CZ 4.11Å; M167-F181 HydrophobicContact CE-CZ 4.44Å; I170-F181 HydrophobicContact CG2-CE2 4.14Å; A171-F181 HydrophobicContact CB-CD2 4.15Å; A171-F181 HydrophobicContact CB-CE1 4.28Å; A171-F181 HydrophobicContact CB-CE2 3.74Å; A171-F181 HydrophobicContact CB-CZ 3.81Å; S174-F181 WeakPolarHBondContact OG-CB 3.39Å; F181-F183 HydrophobicContact CD1-CB 4.42Å; F181-F183 HydrophobicContact CE1-CB 4.13Å; F181-M201 HydrophobicContact CE1-CE 3.6Å; F181-M201 HydrophobicContact CZ-CE 3.5Å; F181-M201 VanDerWaalsContact CZ-CE 3.5Å; F181-S205 WeakPolarHBondContact CD1-OG 3.29Å; F181-R206 PolarHBondContact O-N 2.9Å; F181-I207 PolarHBondContact O-N 3.31Å
182	C	98.9	Very high	97.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.8	177.1	-53	0	0	0	0	109.2	Y153 Y154 I155 I207 I298	Y153-C182 WeakPolarHBondContact O-CA 3.32Å; Y153-C182 WeakPolarHBondContact O-CB 3.3Å; Y153-C182 PolarHBondContact O-N 2.77Å; Y154-C182 WeakPolarHBondContact CA-O 3.49Å; Y154-C182 HydrophobicContact CD2-CB 3.82Å; I155-C182 PolarHBondContact N-O 3.26Å; I155-C182 VanDerWaalsContact N-O 3.12Å; C182-I207 CarbonylContact C-O 3.53Å; C182-I207 WeakPolarHBondContact CA-O 3.41Å; C182-I207 HydrophobicContact CB-CB 4.22Å; C182-I298 HydrophobicContact CB-CD1 4.21Å
183	F	98.9	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	143.2	179.4	179.4	-120.7	0	0	0	110.4	I155 I160 M167 F181 L185 V198 M201 I202 S205 I207 V208 I209	I155-F183 WeakPolarHBondContact O-CD2 3.38Å; I160-F183 HydrophobicContact CD1-CZ 4.2Å; M167-F183 HydrophobicContact CE-CD2 3.3Å; M167-F183 HydrophobicContact CE-CE2 3.2Å; M167-F183 HydrophobicContact CE-CZ 4.43Å; F181-F183 HydrophobicContact CD1-CB 4.42Å; F181-F183 HydrophobicContact CE1-CB 4.13Å; F183-L185 HydrophobicContact CD1-CD2 4.48Å; F183-L185 HydrophobicContact CE1-CD2 4.06Å; F183-V198 HydrophobicContact CE1-CG1 4.25Å; F183-M201 HydrophobicContact CD1-CB 4.24Å; F183-M201 HydrophobicContact CD2-CB 4.11Å; F183-M201 HydrophobicContact CE1-CB 4.02Å; F183-M201 HydrophobicContact CE2-CB 3.88Å; F183-M201 HydrophobicContact CE2-CG 4.29Å; F183-M201 HydrophobicContact CG-CB 4.29Å; F183-M201 HydrophobicContact CZ-CB 3.84Å; F183-M201 HydrophobicContact CZ-CG 4.46Å; F183-I202 HydrophobicContact CD1-CG1 4Å; F183-I202 HydrophobicContact CE1-CG1 4.12Å; F183-S205 WeakPolarHBondContact CB-OG 3.45Å; F183-I207 PolarHBondContact N-O 2.93Å; F183-V208 CarbonylContact O-C 3.59Å; F183-V208 VanDerWaalsContact O-CA 3.31Å; F183-V208 WeakPolarHBondContact O-CA 3.41Å; F183-I209 PolarHBondContact O-N 3.43Å
184	N	98.8	Very high	97.3	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.6	175.8	-173.4	-48.4	0	0	0	109.7	Y154 I155 G157 S186 I209	Y154-N184 HydrophobicContact CE2-CB 4.12Å; Y154-N184 WeakPolarHBondContact OH-CB 3.46Å; Y154-N184 PolarHBondContact OH-ND2 2.94Å; I155-N184 PolarHBondContact O-N 3.01Å; G157-N184 WeakPolarHBondContact CA-O 3.26Å; G157-N184 PolarHBondContact N-O 2.85Å; N184-S186 VanDerWaalsContact C-N 3.29Å; N184-S186 PolarHBondContact O-N 2.92Å; N184-S186 PolarHBondContact O-OG 3.44Å; N184-S186 VanDerWaalsContact OD1-CA 3.24Å; N184-S186 WeakPolarHBondContact OD1-CA 3.36Å; N184-S186 PolarHBondContact OD1-N 3.27Å; N184-S186 PolarHBondContact OD1-OG 3.04Å; N184-S186 VanDerWaalsContact OD1-OG 3.04Å; N184-I209 CarbonylContact C-O 3.57Å; N184-I209 WeakPolarHBondContact CA-O 3.27Å
185	L	98.1	Very high	97.3	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.			trans	-65.8	-32.2	-179.7	-62.6	-178.2	0	0	0	112.5	F183 A187 L190 V198 I202 V208 I209 E214 I236	F183-L185 HydrophobicContact CD1-CD2 4.48Å; F183-L185 HydrophobicContact CE1-CD2 4.06Å; L185-A187 VanDerWaalsContact C-N 3.26Å; L185-A187 PolarHBondContact O-N 3.17Å; L185-L190 VanDerWaalsContact O-CD1 3.23Å; L185-L190 WeakPolarHBondContact O-CD1 3.32Å; L185-V198 HydrophobicContact CD2-CG1 4.06Å; L185-I202 HydrophobicContact CD2-CD1 4.17Å; L185-V208 HydrophobicContact CD2-CG1 4.05Å; L185-V208 HydrophobicContact CG-CG1 4.11Å; L185-I209 PolarHBondContact N-O 3.15Å; L185-E214 HydrophobicContact CB-CB 4.01Å; L185-E214 HydrophobicContact CB-CG 4.34Å; L185-E214 HydrophobicContact CD1-CB 4.2Å; L185-I236 HydrophobicContact CD1-CD1 4.25Å
186	S	95.9	Very high	97.3	Very high	14 Å²	14	47.4 Å²	47.4	10%	0.098	22%	0.224	C	C	.	.			trans	70	-36.9	161.1	-58.3	0	0	0	0	118.8	A156 G157 F158 N184 E214	A156-S186 WeakPolarHBondContact CB-OG 3.49Å; G157-S186 PolarHBondContact N-OG 3.09Å; F158-S186 WeakPolarHBondContact CZ-O 3.16Å; N184-S186 VanDerWaalsContact C-N 3.29Å; N184-S186 PolarHBondContact O-N 2.92Å; N184-S186 PolarHBondContact O-OG 3.44Å; N184-S186 VanDerWaalsContact OD1-CA 3.24Å; N184-S186 WeakPolarHBondContact OD1-CA 3.36Å; N184-S186 PolarHBondContact OD1-N 3.27Å; N184-S186 PolarHBondContact OD1-OG 3.04Å; N184-S186 VanDerWaalsContact OD1-OG 3.04Å; S186-E214 PolarHBondContact N-OE2 2.9Å
187	A	94.5	Very high	97.3	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.033	21%	0.205	C	C	.	.			trans	-163	150.7	174.5	0	0	0	0	0	111.2	A27 F158 L185 F189 L190 P191 E214	A27-A187 HydrophobicContact CB-CB 4.47Å; F158-A187 HydrophobicContact CE1-CB 3.72Å; F158-A187 HydrophobicContact CZ-CB 4.08Å; L185-A187 VanDerWaalsContact C-N 3.26Å; L185-A187 PolarHBondContact O-N 3.17Å; A187-F189 VanDerWaalsContact C-N 3.25Å; A187-F189 HydrophobicContact CB-CD1 3.44Å; A187-F189 VanDerWaalsContact CB-CD1 3.44Å; A187-F189 HydrophobicContact CB-CE1 3.37Å; A187-F189 HydrophobicContact CB-CG 4.38Å; A187-F189 HydrophobicContact CB-CZ 4.27Å; A187-F189 PolarHBondContact O-N 2.78Å; A187-L190 HydrophobicContact CB-CD1 4.28Å; A187-L190 WeakPolarHBondContact O-CB 3.5Å; A187-L190 PolarHBondContact O-N 3.45Å; A187-L190 VanDerWaalsContact O-N 3.07Å; A187-P191 WeakPolarHBondContact O-CD 3.46Å; A187-E214 PolarHBondContact N-OE1 3.48Å
188	T	94.3	Very high	97.3	Very high	35 Å²	35	39.4 Å²	39.4	22%	0.215	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.1	-179	55.2	0	0	0	0	113.3	L190 P191 R192 T217	T188-L190 PolarHBondContact O-N 3.05Å; T188-P191 WeakPolarHBondContact O-CD 3.31Å; T188-R192 PolarHBondContact O-N 3.34Å; T188-T217 WeakPolarHBondContact O-CG2 3.28Å
189	F	95	Very high	97.4	Very high	28 Å²	28	34.8 Å²	34.8	12%	0.123	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-24.4	179.5	80.1	-103.7	0	0	0	112.5	L29 F158 N161 A187 R192 F193	L29-F189 HydrophobicContact CG-CZ 4.26Å; F158-F189 HydrophobicContact CD1-CE1 4.42Å; F158-F189 HydrophobicContact CD1-CZ 4.08Å; F158-F189 AromaticContact CE1-CE1 3.97Å; F158-F189 HydrophobicContact CE1-CE1 3.97Å; F158-F189 HydrophobicContact CE1-CZ 4.1Å; N161-F189 VanDerWaalsContact OD1-CE2 3.32Å; N161-F189 WeakPolarHBondContact OD1-CE2 3.32Å; A187-F189 VanDerWaalsContact C-N 3.25Å; A187-F189 HydrophobicContact CB-CD1 3.44Å; A187-F189 VanDerWaalsContact CB-CD1 3.44Å; A187-F189 HydrophobicContact CB-CE1 3.37Å; A187-F189 HydrophobicContact CB-CG 4.38Å; A187-F189 HydrophobicContact CB-CZ 4.27Å; A187-F189 PolarHBondContact O-N 2.78Å; F189-R192 PolarHBondContact O-N 2.88Å; F189-F193 HydrophobicContact CB-CD2 3.77Å; F189-F193 HydrophobicContact CB-CE2 3.97Å; F189-F193 WeakPolarHBondContact O-CB 3.24Å; F189-F193 VanDerWaalsContact O-CD2 3.31Å; F189-F193 WeakPolarHBondContact O-CD2 3.45Å; F189-F193 PolarHBondContact O-N 2.91Å
190	L	97.4	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-70.8	-56	-178.6	-71.1	163.8	0	0	0	111.7	G157 F158 I160 N161 L185 A187 T188 R192 N194 V198	G157-L190 VanDerWaalsContact C-CD1 3.44Å; F158-L190 HydrophobicContact CD1-CD1 4.11Å; F158-L190 HydrophobicContact CE1-CD1 4.38Å; I160-L190 HydrophobicContact CB-CD2 4.28Å; I160-L190 HydrophobicContact CD1-CD2 4.39Å; N161-L190 WeakPolarHBondContact OD1-CD2 3.31Å; L185-L190 VanDerWaalsContact O-CD1 3.23Å; L185-L190 WeakPolarHBondContact O-CD1 3.32Å; A187-L190 HydrophobicContact CB-CD1 4.28Å; A187-L190 WeakPolarHBondContact O-CB 3.5Å; A187-L190 PolarHBondContact O-N 3.45Å; A187-L190 VanDerWaalsContact O-N 3.07Å; T188-L190 PolarHBondContact O-N 3.05Å; L190-R192 PolarHBondContact O-N 3.15Å; L190-N194 CarbonylContact O-C 3.54Å; L190-N194 VanDerWaalsContact O-CA 3.23Å; L190-N194 WeakPolarHBondContact O-CA 3.28Å; L190-N194 WeakPolarHBondContact O-CB 3.47Å; L190-N194 PolarHBondContact O-N 3.49Å; L190-V198 HydrophobicContact CB-CG2 4.09Å
191	P	95.7	Very high	97.4	Very high	1 Å²	1	36 Å²	36	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-30.5	172	-25.7	34	0	0	0	113.9	A187 T188 T195 T217 F218	A187-P191 WeakPolarHBondContact O-CD 3.46Å; T188-P191 WeakPolarHBondContact O-CD 3.31Å; P191-T195 WeakPolarHBondContact O-CA 3.46Å; P191-T195 WeakPolarHBondContact O-CB 3.33Å; P191-T195 PolarHBondContact O-OG1 3.12Å; P191-T217 HydrophobicContact CB-CG2 4.4Å; P191-F218 HydrophobicContact CB-CB 4.18Å; P191-F218 HydrophobicContact CB-CD2 4.15Å; P191-F218 HydrophobicContact CG-CB 4.42Å; P191-F218 HydrophobicContact CG-CD2 4.44Å
192	R	95.4	Very high	97.4	Very high	99 Å²	99	36 Å²	36	37%	0.374	17%	0.169	S	C	.	.	H	α-helix	trans	-78.5	-44.8	-176.7	-168.7	174.4	-66.5	-94.6	-1	114.1	T188 F189 L190 T195 T217 E220	T188-R192 PolarHBondContact O-N 3.34Å; F189-R192 PolarHBondContact O-N 2.88Å; L190-R192 PolarHBondContact O-N 3.15Å; R192-T195 PolarHBondContact O-OG1 2.9Å; R192-T217 HydrophobicContact CB-CG2 4.03Å; R192-E220 IonicContact CZ-OE1 3.57Å; R192-E220 IonicContact CZ-OE2 3.5Å; R192-E220 IonicContact NH1-OE1 2.75Å; R192-E220 PolarHBondContact NH1-OE1 2.99Å; R192-E220 IonicContact NH1-OE2 3.68Å; R192-E220 VanDerWaalsContact NH2-CD 3.33Å; R192-E220 IonicContact NH2-OE1 2.73Å; R192-E220 PolarHBondContact NH2-OE1 3.24Å; R192-E220 IonicContact NH2-OE2 3.26Å; R192-E220 PolarHBondContact NH2-OE2 2.57Å
193	F	96.8	Very high	97.4	Very high	150 Å²	150	37 Å²	37	66%	0.658	18%	0.176	S	C	*	.	H	α-helix	trans	-109.6	-16.5	-173.7	-54.3	-58.8	0	0	0	113.7	F189	F189-F193 HydrophobicContact CB-CD2 3.77Å; F189-F193 HydrophobicContact CB-CE2 3.97Å; F189-F193 WeakPolarHBondContact O-CB 3.24Å; F189-F193 VanDerWaalsContact O-CD2 3.31Å; F189-F193 WeakPolarHBondContact O-CD2 3.45Å; F189-F193 PolarHBondContact O-N 2.91Å
194	N	98.1	Very high	97.4	Very high	26 Å²	26	38 Å²	38	14%	0.139	18%	0.18	C	C	.	.	S	Bend	trans	-120.3	38	175.8	-64.3	111.5	0	0	0	111.3	I160 N161 L190 K196 E197 V198	I160-N194 HydrophobicContact CG2-CB 3.85Å; N161-N194 PolarHBondContact ND2-OD1 3.46Å; L190-N194 CarbonylContact O-C 3.54Å; L190-N194 VanDerWaalsContact O-CA 3.23Å; L190-N194 WeakPolarHBondContact O-CA 3.28Å; L190-N194 WeakPolarHBondContact O-CB 3.47Å; L190-N194 PolarHBondContact O-N 3.49Å; N194-K196 VanDerWaalsContact C-N 3.26Å; N194-K196 PolarHBondContact O-N 3.18Å; N194-E197 VanDerWaalsContact C-OE2 3.22Å; N194-E197 VanDerWaalsContact CA-OE2 3.24Å; N194-E197 WeakPolarHBondContact CA-OE2 3.25Å; N194-E197 HydrophobicContact CB-CB 4.38Å; N194-E197 PolarHBondContact O-N 3.27Å; N194-V198 WeakPolarHBondContact O-CB 3.44Å; N194-V198 WeakPolarHBondContact O-CG2 3.34Å; N194-V198 PolarHBondContact O-N 2.88Å
195	T	98	Very high	97.4	Very high	38 Å²	38	37.4 Å²	37.4	23%	0.233	18%	0.177	C	C	.	.	H	α-helix	trans	-52.9	-42.8	-174.8	-47.4	0	0	0	0	112.6	P191 R192 N199 V221	P191-T195 WeakPolarHBondContact O-CA 3.46Å; P191-T195 WeakPolarHBondContact O-CB 3.33Å; P191-T195 PolarHBondContact O-OG1 3.12Å; R192-T195 PolarHBondContact O-OG1 2.9Å; T195-N199 WeakPolarHBondContact O-CB 3.44Å; T195-N199 PolarHBondContact O-N 2.95Å; T195-N199 PolarHBondContact O-ND2 2.89Å; T195-V221 HydrophobicContact CG2-CG1 3.45Å; T195-V221 VanDerWaalsContact CG2-CG1 3.45Å
196	K	98.4	Very high	97.4	Very high	173 Å²	173	41.6 Å²	41.6	75%	0.752	19%	0.193	S	C	*	.	H	α-helix	trans	-66	-46.7	-178.1	-70.3	-177.1	-179.8	177.1	0	111.1	N194 N199 E200	N194-K196 VanDerWaalsContact C-N 3.26Å; N194-K196 PolarHBondContact O-N 3.18Å; K196-N199 PolarHBondContact O-N 2.98Å; K196-E200 WeakPolarHBondContact O-CB 3.47Å; K196-E200 PolarHBondContact O-N 3.38Å
197	E	98.8	Very high	97.6	Very high	57 Å²	57	41 Å²	41	27%	0.266	19%	0.189	S	C	.	.	H	α-helix	trans	-66.6	-42.5	-179.7	-62.7	79.7	-175	0	0	110.9	I160 Y164 N194 E200 M201	I160-E197 HydrophobicContact CD1-CB 4Å; I160-E197 HydrophobicContact CG1-CB 4.18Å; I160-E197 HydrophobicContact CG2-CB 3.66Å; I160-E197 HydrophobicContact CG2-CG 3.9Å; Y164-E197 HydrophobicContact CD1-CG 4.29Å; Y164-E197 HydrophobicContact CD2-CB 4.07Å; Y164-E197 HydrophobicContact CD2-CG 4.06Å; Y164-E197 HydrophobicContact CE1-CG 4Å; Y164-E197 HydrophobicContact CE2-CB 3.58Å; Y164-E197 HydrophobicContact CE2-CG 3.77Å; Y164-E197 HydrophobicContact CG-CG 4.3Å; N194-E197 VanDerWaalsContact C-OE2 3.22Å; N194-E197 VanDerWaalsContact CA-OE2 3.24Å; N194-E197 WeakPolarHBondContact CA-OE2 3.25Å; N194-E197 HydrophobicContact CB-CB 4.38Å; N194-E197 PolarHBondContact O-N 3.27Å; E197-E200 PolarHBondContact O-N 3.5Å; E197-M201 WeakPolarHBondContact O-CB 3.28Å; E197-M201 VanDerWaalsContact O-CG 3.25Å; E197-M201 WeakPolarHBondContact O-CG 3.31Å; E197-M201 PolarHBondContact O-N 2.8Å
198	V	98.8	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-48	175	169.5	0	0	0	0	110.9	I160 F183 L185 L190 N194 E200 M201 I202 F218	I160-V198 HydrophobicContact CD1-CG2 3.76Å; F183-V198 HydrophobicContact CE1-CG1 4.25Å; L185-V198 HydrophobicContact CD2-CG1 4.06Å; L190-V198 HydrophobicContact CB-CG2 4.09Å; N194-V198 WeakPolarHBondContact O-CB 3.44Å; N194-V198 WeakPolarHBondContact O-CG2 3.34Å; N194-V198 PolarHBondContact O-N 2.88Å; V198-E200 PolarHBondContact O-N 3.36Å; V198-M201 PolarHBondContact O-N 3.3Å; V198-I202 HydrophobicContact CG1-CD1 3.86Å; V198-I202 VanDerWaalsContact O-CG1 3.31Å; V198-I202 WeakPolarHBondContact O-CG1 3.38Å; V198-I202 PolarHBondContact O-N 2.79Å; V198-F218 HydrophobicContact CG1-CD2 4.22Å; V198-F218 HydrophobicContact CG1-CE2 4.05Å
199	N	98.5	Very high	98	Very high	50 Å²	50	39.3 Å²	39.3	27%	0.267	18%	0.178	S	C	.	.	H	α-helix	trans	-63.9	-41.8	178.6	-73.6	-8.6	0	0	0	112.3	T195 K196 I202 S203 F218 H222	T195-N199 WeakPolarHBondContact O-CB 3.44Å; T195-N199 PolarHBondContact O-N 2.95Å; T195-N199 PolarHBondContact O-ND2 2.89Å; K196-N199 PolarHBondContact O-N 2.98Å; N199-I202 PolarHBondContact O-N 3.41Å; N199-S203 PolarHBondContact O-N 3.46Å; N199-S203 VanDerWaalsContact O-N 3.11Å; N199-F218 VanDerWaalsContact OD1-CE2 3.32Å; N199-F218 WeakPolarHBondContact OD1-CE2 3.42Å; N199-F218 WeakPolarHBondContact OD1-CZ 3.39Å; N199-H222 PolarHBondContact ND2-NE2 3.42Å; N199-H222 PolarHBondContact OD1-CE1 3.25Å; N199-H222 VanDerWaalsContact OD1-CE1 3.31Å; N199-H222 PolarHBondContact OD1-NE2 3.45Å
200	E	98.8	Very high	98.1	Very high	67 Å²	67	38.1 Å²	38.1	31%	0.313	17%	0.173	S	C	.	.	H	α-helix	trans	-61.3	-45.5	175.5	-179.1	164.1	-160.5	0	0	110.3	Y164 L168 K196 E197 V198 I202 S203 Y204	Y164-E200 WeakPolarHBondContact OH-CB 3.15Å; Y164-E200 WeakPolarHBondContact OH-CG 3.23Å; Y164-E200 PolarHBondContact OH-OE2 2.86Å; L168-E200 HydrophobicContact CD1-CG 3.89Å; L168-E200 WeakPolarHBondContact CD1-OE1 3.19Å; K196-E200 WeakPolarHBondContact O-CB 3.47Å; K196-E200 PolarHBondContact O-N 3.38Å; E197-E200 PolarHBondContact O-N 3.5Å; V198-E200 PolarHBondContact O-N 3.36Å; E200-I202 PolarHBondContact O-N 3.3Å; E200-S203 WeakPolarHBondContact O-CB 3.2Å; E200-S203 PolarHBondContact O-N 3.04Å; E200-S203 VanDerWaalsContact O-N 3.12Å; E200-S203 PolarHBondContact O-OG 2.93Å; E200-Y204 HydrophobicContact CG-CE2 3.79Å; E200-Y204 WeakPolarHBondContact O-CD2 3.44Å; E200-Y204 WeakPolarHBondContact O-CE2 3.39Å
201	M	98.8	Very high	98.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-37.6	177.6	-67.6	-49.7	-49.5	0	0	113.3	Y164 M167 L168 A171 F181 F183 E197 V198 S203 Y204 S205	Y164-M201 HydrophobicContact CE2-CG 4.11Å; Y164-M201 HydrophobicContact CE2-SD 4.09Å; M167-M201 HydrophobicContact CE-CB 4.39Å; M167-M201 HydrophobicContact CE-CE 3.55Å; M167-M201 HydrophobicContact CE-CG 3.9Å; M167-M201 HydrophobicContact CE-SD 4.2Å; M167-M201 HydrophobicContact CG-CE 3.5Å; M167-M201 VanDerWaalsContact CG-CE 3.5Å; M167-M201 HydrophobicContact CG-CG 4.47Å; M167-M201 HydrophobicContact CG-SD 3.74Å; M167-M201 HydrophobicContact SD-CE 4.17Å; M167-M201 HydrophobicContact SD-CG 4.19Å; M167-M201 HydrophobicContact SD-SD 4.23Å; L168-M201 HydrophobicContact CD1-SD 4.35Å; A171-M201 HydrophobicContact CB-CE 3.39Å; A171-M201 HydrophobicContact CB-SD 4.39Å; F181-M201 HydrophobicContact CE1-CE 3.6Å; F181-M201 HydrophobicContact CZ-CE 3.5Å; F181-M201 VanDerWaalsContact CZ-CE 3.5Å; F183-M201 HydrophobicContact CD1-CB 4.24Å; F183-M201 HydrophobicContact CD2-CB 4.11Å; F183-M201 HydrophobicContact CE1-CB 4.02Å; F183-M201 HydrophobicContact CE2-CB 3.88Å; F183-M201 HydrophobicContact CE2-CG 4.29Å; F183-M201 HydrophobicContact CG-CB 4.29Å; F183-M201 HydrophobicContact CZ-CB 3.84Å; F183-M201 HydrophobicContact CZ-CG 4.46Å; E197-M201 WeakPolarHBondContact O-CB 3.28Å; E197-M201 VanDerWaalsContact O-CG 3.25Å; E197-M201 WeakPolarHBondContact O-CG 3.31Å; E197-M201 PolarHBondContact O-N 2.8Å; V198-M201 PolarHBondContact O-N 3.3Å; M201-S203 PolarHBondContact O-N 2.85Å; M201-Y204 PolarHBondContact O-N 2.93Å; M201-S205 PolarHBondContact O-N 3.44Å; M201-S205 PolarHBondContact O-OG 3.29Å
202	I	98.8	Very high	98.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-35.6	173.4	-70.8	165.9	0	0	0	111.2	F183 L185 V198 N199 E200 Y204 S205 V208 F218 I236 L239 R249	F183-I202 HydrophobicContact CD1-CG1 4Å; F183-I202 HydrophobicContact CE1-CG1 4.12Å; L185-I202 HydrophobicContact CD2-CD1 4.17Å; V198-I202 HydrophobicContact CG1-CD1 3.86Å; V198-I202 VanDerWaalsContact O-CG1 3.31Å; V198-I202 WeakPolarHBondContact O-CG1 3.38Å; V198-I202 PolarHBondContact O-N 2.79Å; N199-I202 PolarHBondContact O-N 3.41Å; E200-I202 PolarHBondContact O-N 3.3Å; I202-Y204 PolarHBondContact O-N 3.32Å; I202-Y204 VanDerWaalsContact O-N 3.14Å; I202-S205 PolarHBondContact O-N 2.83Å; I202-V208 HydrophobicContact CG1-CG2 4.29Å; I202-V208 HydrophobicContact CG2-CG2 4.39Å; I202-F218 HydrophobicContact CD1-CD2 4.33Å; I202-F218 HydrophobicContact CD1-CE2 3.48Å; I202-F218 VanDerWaalsContact CD1-CE2 3.48Å; I202-F218 HydrophobicContact CD1-CZ 3.94Å; I202-I236 HydrophobicContact CD1-CG2 4.33Å; I202-I236 HydrophobicContact CG2-CG2 4Å; I202-L239 HydrophobicContact CG2-CB 4.42Å; I202-L239 HydrophobicContact CG2-CD1 3.78Å; I202-R249 PolarHBondContact O-NE 3.07Å; I202-R249 PolarHBondContact O-NH2 2.88Å
203	S	98.5	Very high	98	Very high	22 Å²	22	40.5 Å²	40.5	15%	0.154	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-17	179.5	82	0	0	0	0	114.3	N199 E200 M201 F241 A242	N199-S203 PolarHBondContact O-N 3.46Å; N199-S203 VanDerWaalsContact O-N 3.11Å; E200-S203 WeakPolarHBondContact O-CB 3.2Å; E200-S203 PolarHBondContact O-N 3.04Å; E200-S203 VanDerWaalsContact O-N 3.12Å; E200-S203 PolarHBondContact O-OG 2.93Å; M201-S203 PolarHBondContact O-N 2.85Å; S203-F241 CarbonylContact O-C 3.58Å; S203-F241 VanDerWaalsContact O-CA 3.23Å; S203-F241 WeakPolarHBondContact O-CA 3.44Å; S203-F241 WeakPolarHBondContact O-CD1 3.17Å; S203-A242 PolarHBondContact O-N 2.86Å
204	Y	98.7	Very high	97.9	Very high	22 Å²	22	33.9 Å²	33.9	9%	0.086	17%	0.167	C	C	.	.	H	α-helix	trans	-100.2	-10.9	172	-58.6	-80.7	0	0	0	113.2	L168 A171 K172 L175 E200 M201 I202 A242	L168-Y204 HydrophobicContact CD1-CD2 4.26Å; L168-Y204 HydrophobicContact CD1-CE2 3.48Å; L168-Y204 VanDerWaalsContact CD1-CE2 3.48Å; A171-Y204 HydrophobicContact CB-CD1 4.43Å; A171-Y204 HydrophobicContact CB-CD2 3.97Å; A171-Y204 HydrophobicContact CB-CG 3.8Å; K172-Y204 HydrophobicContact CB-CE1 4.42Å; K172-Y204 WeakPolarHBondContact CE-OH 3.37Å; K172-Y204 HydrophobicContact CG-CD1 4.42Å; K172-Y204 HydrophobicContact CG-CE1 3.59Å; L175-Y204 HydrophobicContact CB-CD1 4Å; L175-Y204 HydrophobicContact CD2-CD1 3.65Å; L175-Y204 HydrophobicContact CD2-CE1 4.07Å; L175-Y204 HydrophobicContact CG-CD1 4.46Å; E200-Y204 HydrophobicContact CG-CE2 3.79Å; E200-Y204 WeakPolarHBondContact O-CD2 3.44Å; E200-Y204 WeakPolarHBondContact O-CE2 3.39Å; M201-Y204 PolarHBondContact O-N 2.93Å; I202-Y204 PolarHBondContact O-N 3.32Å; I202-Y204 VanDerWaalsContact O-N 3.14Å; Y204-A242 HydrophobicContact CD1-CB 3.93Å; Y204-A242 HydrophobicContact CE1-CB 3.46Å; Y204-A242 VanDerWaalsContact CE1-CB 3.46Å; Y204-A242 HydrophobicContact CE2-CB 4.37Å
205	S	98.7	Very high	97.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.			trans	-91	127.1	-167	-61.7	0	0	0	0	111.8	F181 F183 M201 I202 F241 R249	F181-S205 WeakPolarHBondContact CD1-OG 3.29Å; F183-S205 WeakPolarHBondContact CB-OG 3.45Å; M201-S205 PolarHBondContact O-N 3.44Å; M201-S205 PolarHBondContact O-OG 3.29Å; I202-S205 PolarHBondContact O-N 2.83Å; S205-F241 WeakPolarHBondContact O-CE1 3.14Å; S205-R249 PolarHBondContact O-NE 2.89Å
206	R	98.4	Very high	97.7	Very high	88 Å²	88	32.9 Å²	32.9	33%	0.332	17%	0.167	S	C	.	.	S	Bend	trans	-92.5	-19.1	171.4	-72.1	179.2	63.7	-158.4	-1.6	112.5	L180 F181 F241 R249 L250	L180-R206 HydrophobicContact CD1-CB 3.68Å; F181-R206 PolarHBondContact O-N 2.9Å; R206-F241 HydrophobicContact CG-CE1 3.81Å; R206-F241 HydrophobicContact CG-CZ 3.98Å; R206-R249 WeakPolarHBondContact O-CA 3.36Å; R206-L250 PolarHBondContact O-N 3.18Å
207	I	98.7	Very high	97.6	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.3	169.7	-61.7	175.7	0	0	0	107.6	L180 F181 C182 F183 I209 L250 F297 Y301	L180-I207 HydrophobicContact CD1-CD1 4.01Å; L180-I207 HydrophobicContact CD1-CG1 4.06Å; L180-I207 HydrophobicContact CD2-CD1 4.06Å; L180-I207 HydrophobicContact CG-CD1 4.47Å; F181-I207 PolarHBondContact O-N 3.31Å; C182-I207 CarbonylContact C-O 3.53Å; C182-I207 WeakPolarHBondContact CA-O 3.41Å; C182-I207 HydrophobicContact CB-CB 4.22Å; F183-I207 PolarHBondContact N-O 2.93Å; I207-I209 HydrophobicContact CG2-CD1 4.28Å; I207-I209 HydrophobicContact CG2-CG1 3.97Å; I207-L250 CarbonylContact C-O 3.59Å; I207-L250 VanDerWaalsContact CA-O 3.28Å; I207-L250 WeakPolarHBondContact CA-O 3.41Å; I207-L250 HydrophobicContact CG1-CB 4.4Å; I207-L250 HydrophobicContact CG1-CD2 4.49Å; I207-F297 HydrophobicContact CD1-CE1 4.25Å; I207-F297 HydrophobicContact CG2-CE1 4.41Å; I207-Y301 HydrophobicContact CD1-CD1 3.6Å; I207-Y301 HydrophobicContact CD1-CE1 3.56Å; I207-Y301 HydrophobicContact CG1-CE1 4.46Å
208	V	98.9	Very high	97.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.7	171.2	-178.1	0	0	0	0	108.3	F183 L185 I202 I236 L250 V251 I252	F183-V208 CarbonylContact O-C 3.59Å; F183-V208 VanDerWaalsContact O-CA 3.31Å; F183-V208 WeakPolarHBondContact O-CA 3.41Å; L185-V208 HydrophobicContact CD2-CG1 4.05Å; L185-V208 HydrophobicContact CG-CG1 4.11Å; I202-V208 HydrophobicContact CG1-CG2 4.29Å; I202-V208 HydrophobicContact CG2-CG2 4.39Å; V208-I236 HydrophobicContact CB-CG2 4.09Å; V208-I236 HydrophobicContact CG1-CG2 4.07Å; V208-I236 HydrophobicContact CG2-CG2 4.07Å; V208-L250 PolarHBondContact N-O 2.56Å; V208-V251 HydrophobicContact CB-CG1 4.49Å; V208-V251 HydrophobicContact CB-CG2 4.35Å; V208-V251 CarbonylContact O-C 3.21Å; V208-V251 VanDerWaalsContact O-CA 3.32Å; V208-V251 WeakPolarHBondContact O-CA 3.26Å; V208-I252 PolarHBondContact O-N 2.97Å
209	I	98.8	Very high	97.4	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.2	177.8	-58.5	176.3	0	0	0	108.4	F183 N184 L185 I207 I252 A294 I298	F183-I209 PolarHBondContact O-N 3.43Å; N184-I209 CarbonylContact C-O 3.57Å; N184-I209 WeakPolarHBondContact CA-O 3.27Å; L185-I209 PolarHBondContact N-O 3.15Å; I207-I209 HydrophobicContact CG2-CD1 4.28Å; I207-I209 HydrophobicContact CG2-CG1 3.97Å; I209-I252 WeakPolarHBondContact CA-O 3.24Å; I209-A294 HydrophobicContact CD1-CB 3.83Å; I209-I298 HydrophobicContact CD1-CD1 4.32Å
210	G	97.9	Very high	97.2	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	-174.8	170.2	0	0	0	0	0	111.7	E214 I252 I253 T254	G210-E214 WeakPolarHBondContact CA-OE2 3.35Å; G210-I252 PolarHBondContact N-O 2.98Å; G210-I253 VanDerWaalsContact O-CA 3.31Å; G210-I253 WeakPolarHBondContact O-CA 3.5Å; G210-T254 PolarHBondContact O-N 3.44Å; G210-T254 PolarHBondContact O-OG1 2.74Å
211	N	96.2	Very high	97.1	Very high	28 Å²	28	24.7 Å²	24.7	15%	0.15	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	174.2	170.4	69	36.7	0	0	0	112.3	S213 E214 A215 I253 T254	N211-S213 VanDerWaalsContact C-N 3.3Å; N211-S213 PolarHBondContact O-N 3.02Å; N211-S213 PolarHBondContact OD1-N 2.82Å; N211-S213 VanDerWaalsContact OD1-N 3.12Å; N211-E214 VanDerWaalsContact CG-CD 3.41Å; N211-E214 PolarHBondContact N-OE2 3.31Å; N211-E214 PolarHBondContact ND2-OE1 3.19Å; N211-E214 PolarHBondContact O-N 2.98Å; N211-E214 WeakPolarHBondContact OD1-CB 3.48Å; N211-E214 VanDerWaalsContact OD1-CG 3.28Å; N211-E214 WeakPolarHBondContact OD1-CG 3.39Å; N211-E214 PolarHBondContact OD1-N 3.08Å; N211-A215 WeakPolarHBondContact O-CB 3.43Å; N211-A215 PolarHBondContact O-N 3.47Å; N211-I253 WeakPolarHBondContact O-CG2 3.45Å; N211-T254 CarbonylContact C-O 3.58Å; N211-T254 VanDerWaalsContact CA-O 3.26Å; N211-T254 WeakPolarHBondContact CA-O 3.35Å
212	E	95.7	Very high	97	Very high	61 Å²	61	26.5 Å²	26.5	29%	0.285	14%	0.142	S	C	.	.	H	α-helix	trans	-52.8	-44.9	-179.2	62.7	-82.3	-147.8	0	0	112.7	A215 A216 V229 T254 Q255	E212-A215 PolarHBondContact O-N 2.85Å; E212-A216 VanDerWaalsContact O-CB 3.26Å; E212-A216 WeakPolarHBondContact O-CB 3.42Å; E212-A216 PolarHBondContact O-N 2.92Å; E212-V229 HydrophobicContact CB-CG2 4.1Å; E212-T254 PolarHBondContact N-O 2.91Å; E212-T254 VanDerWaalsContact N-O 3.08Å; E212-Q255 HydrophobicContact CB-CB 4.45Å; E212-Q255 HydrophobicContact CB-CG 4.06Å; E212-Q255 VanDerWaalsContact OE2-CA 3.32Å; E212-Q255 WeakPolarHBondContact OE2-CA 3.45Å
213	S	93.8	Very high	96.8	Very high	61 Å²	61	31.2 Å²	31.2	43%	0.427	18%	0.176	S	C	.	.	H	α-helix	trans	-70.1	-40.2	-177.4	-62.2	0	0	0	0	111.8	N211 T217	N211-S213 VanDerWaalsContact C-N 3.3Å; N211-S213 PolarHBondContact O-N 3.02Å; N211-S213 PolarHBondContact OD1-N 2.82Å; N211-S213 VanDerWaalsContact OD1-N 3.12Å; S213-T217 WeakPolarHBondContact O-CB 3.49Å; S213-T217 PolarHBondContact O-N 2.86Å; S213-T217 PolarHBondContact O-OG1 3.48Å
214	E	95.5	Very high	96.5	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.047	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-43.7	175.4	-71.2	157.6	-163.1	0	0	111.5	L185 S186 A187 G210 N211 T217 F218	L185-E214 HydrophobicContact CB-CB 4.01Å; L185-E214 HydrophobicContact CB-CG 4.34Å; L185-E214 HydrophobicContact CD1-CB 4.2Å; S186-E214 PolarHBondContact N-OE2 2.9Å; A187-E214 PolarHBondContact N-OE1 3.48Å; G210-E214 WeakPolarHBondContact CA-OE2 3.35Å; N211-E214 VanDerWaalsContact CG-CD 3.41Å; N211-E214 PolarHBondContact N-OE2 3.31Å; N211-E214 PolarHBondContact ND2-OE1 3.19Å; N211-E214 PolarHBondContact O-N 2.98Å; N211-E214 WeakPolarHBondContact OD1-CB 3.48Å; N211-E214 VanDerWaalsContact OD1-CG 3.28Å; N211-E214 WeakPolarHBondContact OD1-CG 3.39Å; N211-E214 PolarHBondContact OD1-N 3.08Å; E214-T217 PolarHBondContact O-N 3.22Å; E214-F218 WeakPolarHBondContact O-CB 3.49Å; E214-F218 PolarHBondContact O-N 3.46Å
215	A	96.6	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-44.3	177.5	0	0	0	0	0	111.7	N211 E212 F218 G219 V229 A232 I253	N211-A215 WeakPolarHBondContact O-CB 3.43Å; N211-A215 PolarHBondContact O-N 3.47Å; E212-A215 PolarHBondContact O-N 2.85Å; A215-F218 WeakPolarHBondContact O-CB 3.13Å; A215-F218 PolarHBondContact O-N 3.45Å; A215-G219 PolarHBondContact O-N 2.89Å; A215-V229 HydrophobicContact CB-CG1 4.07Å; A215-A232 HydrophobicContact CB-CB 4.21Å; A215-A232 VanDerWaalsContact O-CB 3.3Å; A215-A232 WeakPolarHBondContact O-CB 3.44Å; A215-I253 HydrophobicContact CB-CD1 3.94Å; A215-I253 HydrophobicContact CB-CG1 4.13Å; A215-I253 HydrophobicContact CB-CG2 3.89Å
216	A	95.3	Very high	94.5	Very high	44 Å²	44	41.8 Å²	41.8	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-45	175.3	0	0	0	0	0	111.4	E212 F218 G219 E220	E212-A216 VanDerWaalsContact O-CB 3.26Å; E212-A216 WeakPolarHBondContact O-CB 3.42Å; E212-A216 PolarHBondContact O-N 2.92Å; A216-F218 VanDerWaalsContact C-N 3.34Å; A216-F218 PolarHBondContact O-N 2.86Å; A216-G219 PolarHBondContact O-N 3.5Å; A216-E220 PolarHBondContact O-N 2.76Å
217	T	95	Very high	93.1	Very high	12 Å²	12	40.1 Å²	40.1	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-40.9	176.2	-57.4	0	0	0	0	111.6	T188 P191 R192 S213 E214 G219 E220 V221	T188-T217 WeakPolarHBondContact O-CG2 3.28Å; P191-T217 HydrophobicContact CB-CG2 4.4Å; R192-T217 HydrophobicContact CB-CG2 4.03Å; S213-T217 WeakPolarHBondContact O-CB 3.49Å; S213-T217 PolarHBondContact O-N 2.86Å; S213-T217 PolarHBondContact O-OG1 3.48Å; E214-T217 PolarHBondContact O-N 3.22Å; T217-G219 VanDerWaalsContact C-N 3.34Å; T217-E220 PolarHBondContact O-N 2.78Å; T217-V221 VanDerWaalsContact O-CG2 3.28Å; T217-V221 WeakPolarHBondContact O-CG2 3.48Å; T217-V221 PolarHBondContact O-N 3.47Å; T217-V221 VanDerWaalsContact O-N 3.11Å
218	F	97.2	Very high	92.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-44.8	175.2	-173.9	-79.6	0	0	0	111.2	P191 V198 N199 I202 E214 A215 A216 V221 H222 Y235 I236 L239	P191-F218 HydrophobicContact CB-CB 4.18Å; P191-F218 HydrophobicContact CB-CD2 4.15Å; P191-F218 HydrophobicContact CG-CB 4.42Å; P191-F218 HydrophobicContact CG-CD2 4.44Å; V198-F218 HydrophobicContact CG1-CD2 4.22Å; V198-F218 HydrophobicContact CG1-CE2 4.05Å; N199-F218 VanDerWaalsContact OD1-CE2 3.32Å; N199-F218 WeakPolarHBondContact OD1-CE2 3.42Å; N199-F218 WeakPolarHBondContact OD1-CZ 3.39Å; I202-F218 HydrophobicContact CD1-CD2 4.33Å; I202-F218 HydrophobicContact CD1-CE2 3.48Å; I202-F218 VanDerWaalsContact CD1-CE2 3.48Å; I202-F218 HydrophobicContact CD1-CZ 3.94Å; E214-F218 WeakPolarHBondContact O-CB 3.49Å; E214-F218 PolarHBondContact O-N 3.46Å; A215-F218 WeakPolarHBondContact O-CB 3.13Å; A215-F218 PolarHBondContact O-N 3.45Å; A216-F218 VanDerWaalsContact C-N 3.34Å; A216-F218 PolarHBondContact O-N 2.86Å; F218-V221 PolarHBondContact O-N 3.29Å; F218-H222 AromaticContact CD1-ND1 3.58Å; F218-H222 AromaticContact CD2-CE1 3.95Å; F218-H222 AromaticContact CE1-CE1 3.5Å; F218-H222 VanDerWaalsContact CE1-CE1 3.5Å; F218-H222 WeakPolarHBondContact CE1-CE1 3.32Å; F218-H222 AromaticContact CE1-CG 3.82Å; F218-H222 AromaticContact CE1-ND1 3.32Å; F218-H222 VanDerWaalsContact CE1-ND1 3.32Å; F218-H222 WeakPolarHBondContact CE1-ND1 3.35Å; F218-H222 AromaticContact CE2-CE1 3.41Å; F218-H222 VanDerWaalsContact CE2-CE1 3.41Å; F218-H222 WeakPolarHBondContact CE2-CE1 3.41Å; F218-H222 AromaticContact CE2-ND1 3.95Å; F218-H222 AromaticContact CG-ND1 3.97Å; F218-H222 AromaticContact CZ-CE1 3.16Å; F218-H222 WeakPolarHBondContact CZ-CE1 3.38Å; F218-H222 AromaticContact CZ-ND1 3.54Å; F218-H222 AromaticContact CZ-NE2 3.66Å; F218-H222 PolarHBondContact O-N 3.38Å; F218-H222 VanDerWaalsContact O-N 3.12Å; F218-H222 PolarHBondContact O-ND1 2.96Å; F218-Y235 AromaticContact CE1-CD1 3.77Å; F218-Y235 HydrophobicContact CE1-CD1 3.77Å; F218-Y235 AromaticContact CE1-CE1 3.93Å; F218-Y235 HydrophobicContact CE1-CE1 3.93Å; F218-Y235 HydrophobicContact CZ-CE1 4.45Å; F218-I236 HydrophobicContact CD1-CD1 3.84Å; F218-I236 HydrophobicContact CD1-CG1 3.81Å; F218-I236 HydrophobicContact CD2-CD1 4.38Å; F218-I236 HydrophobicContact CE1-CD1 4.07Å; F218-I236 HydrophobicContact CE1-CG1 3.53Å; F218-I236 HydrophobicContact CE2-CG1 4.41Å; F218-I236 HydrophobicContact CG-CD1 4.03Å; F218-I236 HydrophobicContact CG-CG1 4.39Å; F218-I236 HydrophobicContact CZ-CD1 4.42Å; F218-I236 HydrophobicContact CZ-CG1 3.85Å; F218-L239 HydrophobicContact CZ-CD1 4.18Å
219	G	96.9	Very high	92	Very high	3 Å²	3	43 Å²	43	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-43.5	178	0	0	0	0	0	113.3	A215 A216 T217 V221 H222 S223 L224	A215-G219 PolarHBondContact O-N 2.89Å; A216-G219 PolarHBondContact O-N 3.5Å; T217-G219 VanDerWaalsContact C-N 3.34Å; G219-V221 PolarHBondContact O-N 3.07Å; G219-H222 CarbonylContact O-C 3.53Å; G219-H222 PolarHBondContact O-N 3.03Å; G219-S223 PolarHBondContact O-N 2.73Å; G219-L224 PolarHBondContact O-N 3.09Å
220	E	95.1	Very high	91.8	Very high	113 Å²	113	45.8 Å²	45.8	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-55.8	-50.6	174.3	-176.6	-165.9	145.7	0	0	111.2	R192 A216 T217 H222 S223	R192-E220 IonicContact CZ-OE1 3.57Å; R192-E220 IonicContact CZ-OE2 3.5Å; R192-E220 IonicContact NH1-OE1 2.75Å; R192-E220 PolarHBondContact NH1-OE1 2.99Å; R192-E220 IonicContact NH1-OE2 3.68Å; R192-E220 VanDerWaalsContact NH2-CD 3.33Å; R192-E220 IonicContact NH2-OE1 2.73Å; R192-E220 PolarHBondContact NH2-OE1 3.24Å; R192-E220 IonicContact NH2-OE2 3.26Å; R192-E220 PolarHBondContact NH2-OE2 2.57Å; A216-E220 PolarHBondContact O-N 2.76Å; T217-E220 PolarHBondContact O-N 2.78Å; E220-H222 PolarHBondContact O-N 3.37Å; E220-S223 PolarHBondContact O-N 3.06Å
221	V	95.6	Very high	91.7	Very high	47 Å²	47	48.1 Å²	48.1	29%	0.285	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-32	-179.1	171	0	0	0	0	112.1	T195 T217 F218 G219 S223	T195-V221 HydrophobicContact CG2-CG1 3.45Å; T195-V221 VanDerWaalsContact CG2-CG1 3.45Å; T217-V221 VanDerWaalsContact O-CG2 3.28Å; T217-V221 WeakPolarHBondContact O-CG2 3.48Å; T217-V221 PolarHBondContact O-N 3.47Å; T217-V221 VanDerWaalsContact O-N 3.11Å; F218-V221 PolarHBondContact O-N 3.29Å; G219-V221 PolarHBondContact O-N 3.07Å; V221-S223 VanDerWaalsContact C-N 3.33Å
222	H	96.2	Very high	91.7	Very high	37 Å²	37	46.8 Å²	46.8	17%	0.171	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	7.5	177.5	-68.9	80.9	0	0	0	113.6	N199 F218 G219 E220 L224 Y235	N199-H222 PolarHBondContact ND2-NE2 3.42Å; N199-H222 PolarHBondContact OD1-CE1 3.25Å; N199-H222 VanDerWaalsContact OD1-CE1 3.31Å; N199-H222 PolarHBondContact OD1-NE2 3.45Å; F218-H222 AromaticContact CD1-ND1 3.58Å; F218-H222 AromaticContact CD2-CE1 3.95Å; F218-H222 AromaticContact CE1-CE1 3.5Å; F218-H222 VanDerWaalsContact CE1-CE1 3.5Å; F218-H222 WeakPolarHBondContact CE1-CE1 3.32Å; F218-H222 AromaticContact CE1-CG 3.82Å; F218-H222 AromaticContact CE1-ND1 3.32Å; F218-H222 VanDerWaalsContact CE1-ND1 3.32Å; F218-H222 WeakPolarHBondContact CE1-ND1 3.35Å; F218-H222 AromaticContact CE2-CE1 3.41Å; F218-H222 VanDerWaalsContact CE2-CE1 3.41Å; F218-H222 WeakPolarHBondContact CE2-CE1 3.41Å; F218-H222 AromaticContact CE2-ND1 3.95Å; F218-H222 AromaticContact CG-ND1 3.97Å; F218-H222 AromaticContact CZ-CE1 3.16Å; F218-H222 WeakPolarHBondContact CZ-CE1 3.38Å; F218-H222 AromaticContact CZ-ND1 3.54Å; F218-H222 AromaticContact CZ-NE2 3.66Å; F218-H222 PolarHBondContact O-N 3.38Å; F218-H222 VanDerWaalsContact O-N 3.12Å; F218-H222 PolarHBondContact O-ND1 2.96Å; G219-H222 CarbonylContact O-C 3.53Å; G219-H222 PolarHBondContact O-N 3.03Å; E220-H222 PolarHBondContact O-N 3.37Å; H222-L224 HydrophobicContact CB-CD2 4.17Å; H222-L224 HydrophobicContact CB-CG 4.05Å; H222-L224 PolarHBondContact O-N 3.3Å; H222-Y235 HydrophobicContact CB-CE1 4.25Å; H222-Y235 AromaticContact CD2-CE1 3.82Å
223	S	94.7	Very high	91.7	Very high	100 Å²	100	43.9 Å²	43.9	70%	0.699	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	37.5	-179.8	-53.8	0	0	0	0	113.3	G219 E220 V221	G219-S223 PolarHBondContact O-N 2.73Å; E220-S223 PolarHBondContact O-N 3.06Å; V221-S223 VanDerWaalsContact C-N 3.33Å
224	L	93.8	Very high	91.9	Very high	24 Å²	24	42.4 Å²	42.4	13%	0.126	25%	0.253	C	S	.	.			trans	-70.5	127.9	175.3	-57.5	-170.7	0	0	0	109.4	G219 H222 E231 A232 Y235	G219-L224 PolarHBondContact O-N 3.09Å; H222-L224 HydrophobicContact CB-CD2 4.17Å; H222-L224 HydrophobicContact CB-CG 4.05Å; H222-L224 PolarHBondContact O-N 3.3Å; L224-E231 VanDerWaalsContact C-OE2 3.32Å; L224-E231 HydrophobicContact CB-CG 4.23Å; L224-E231 VanDerWaalsContact CB-OE2 3.32Å; L224-E231 WeakPolarHBondContact CB-OE2 3.32Å; L224-E231 HydrophobicContact CD1-CG 4.27Å; L224-A232 HydrophobicContact CD1-CB 4.28Å; L224-Y235 HydrophobicContact CD1-CD1 4.26Å; L224-Y235 HydrophobicContact CD1-CD2 4.44Å; L224-Y235 HydrophobicContact CD1-CG 3.92Å; L224-Y235 HydrophobicContact CD2-CD1 4.44Å; L224-Y235 HydrophobicContact CD2-CD2 3.58Å; L224-Y235 HydrophobicContact CD2-CE2 3.85Å; L224-Y235 HydrophobicContact CD2-CG 3.9Å
225	T	78.9	Confident	91.9	Very high	135 Å²	135	46 Å²	46	83%	0.828	27%	0.267	S	S	*	.	S	Bend	trans	-83	-26.4	-161	46.8	0	0	0	0	115.1	G227 E231	T225-G227 VanDerWaalsContact C-N 3.33Å; T225-E231 PolarHBondContact N-OE1 3.28Å; T225-E231 PolarHBondContact N-OE2 3.46Å; T225-E231 VanDerWaalsContact N-OE2 3.15Å
226	D	75.4	Confident	92	Very high	107 Å²	107	46 Å²	46	57%	0.572	27%	0.267	S	S	*	.	S	Bend	trans	-78.4	-25.5	177	-167.8	29.9	0	0	0	110.3	T228 E231	D226-T228 HydrophobicContact CB-CG2 4.35Å; D226-T228 VanDerWaalsContact CG-CG2 3.41Å; D226-T228 PolarHBondContact O-N 2.94Å; D226-T228 WeakPolarHBondContact OD2-CB 3.33Å; D226-T228 WeakPolarHBondContact OD2-CG2 3.28Å; D226-T228 PolarHBondContact OD2-OG1 2.99Å; D226-E231 WeakPolarHBondContact CA-OE2 3.43Å; D226-E231 HydrophobicContact CB-CB 4.16Å; D226-E231 HydrophobicContact CB-CG 4.47Å; D226-E231 WeakPolarHBondContact CB-OE2 3.35Å; D226-E231 PolarHBondContact N-OE2 2.93Å
227	G	68.1	Low	92.1	Very high	52 Å²	52	43.9 Å²	43.9	54%	0.536	25%	0.249	S	C	.	.			trans	63.9	9.4	-179.3	0	0	0	0	0	113.4	T225 E231	T225-G227 VanDerWaalsContact C-N 3.33Å; G227-E231 PolarHBondContact N-OE2 3.21Å
228	T	83.7	Confident	92.1	Very high	44 Å²	44	47.7 Å²	47.7	27%	0.27	27%	0.269	S	S	.	.			trans	-85.9	152	-178.6	64.4	0	0	0	0	111.3	D226 H230 E231 A232	D226-T228 HydrophobicContact CB-CG2 4.35Å; D226-T228 VanDerWaalsContact CG-CG2 3.41Å; D226-T228 PolarHBondContact O-N 2.94Å; D226-T228 WeakPolarHBondContact OD2-CB 3.33Å; D226-T228 WeakPolarHBondContact OD2-CG2 3.28Å; D226-T228 PolarHBondContact OD2-OG1 2.99Å; T228-H230 PolarHBondContact O-N 3.45Å; T228-E231 PolarHBondContact O-N 3Å; T228-E231 PolarHBondContact OG1-N 3.42Å; T228-A232 PolarHBondContact O-N 3.46Å
229	V	92.6	Very high	92.2	Very high	19 Å²	19	49.4 Å²	49.4	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-30.9	170.7	174.3	0	0	0	0	111.2	E212 A215 A233 I253 I261	E212-V229 HydrophobicContact CB-CG2 4.1Å; A215-V229 HydrophobicContact CB-CG1 4.07Å; V229-A233 WeakPolarHBondContact O-CB 3.41Å; V229-A233 PolarHBondContact O-N 3.39Å; V229-I253 HydrophobicContact CG1-CB 3.81Å; V229-I253 HydrophobicContact CG1-CG1 4.04Å; V229-I253 HydrophobicContact CG1-CG2 3.48Å; V229-I253 VanDerWaalsContact CG1-CG2 3.48Å; V229-I261 HydrophobicContact CG1-CB 4.49Å; V229-I261 HydrophobicContact CG1-CG1 4.18Å
230	H	94.3	Very high	92.2	Very high	62 Å²	62	53.7 Å²	53.7	29%	0.287	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-47.8	177.9	-59.9	66.8	0	0	0	112.4	T228 A233 Q234 I261 V270 Q272	T228-H230 PolarHBondContact O-N 3.45Å; H230-A233 PolarHBondContact O-N 2.99Å; H230-Q234 PolarHBondContact O-N 3.34Å; H230-I261 WeakPolarHBondContact NE2-CD1 3.44Å; H230-V270 HydrophobicContact CB-CG1 4.08Å; H230-V270 HydrophobicContact CB-CG2 4.48Å; H230-Q272 PolarHBondContact NE2-NE2 3.42Å
231	E	94.3	Very high	92.3	Very high	52 Å²	52	49 Å²	49	24%	0.243	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-44.2	178	-170.1	-177.7	-156.3	0	0	110.7	L224 T225 D226 G227 T228 A233 Q234 Y235	L224-E231 VanDerWaalsContact C-OE2 3.32Å; L224-E231 HydrophobicContact CB-CG 4.23Å; L224-E231 VanDerWaalsContact CB-OE2 3.32Å; L224-E231 WeakPolarHBondContact CB-OE2 3.32Å; L224-E231 HydrophobicContact CD1-CG 4.27Å; T225-E231 PolarHBondContact N-OE1 3.28Å; T225-E231 PolarHBondContact N-OE2 3.46Å; T225-E231 VanDerWaalsContact N-OE2 3.15Å; D226-E231 WeakPolarHBondContact CA-OE2 3.43Å; D226-E231 HydrophobicContact CB-CB 4.16Å; D226-E231 HydrophobicContact CB-CG 4.47Å; D226-E231 WeakPolarHBondContact CB-OE2 3.35Å; D226-E231 PolarHBondContact N-OE2 2.93Å; G227-E231 PolarHBondContact N-OE2 3.21Å; T228-E231 PolarHBondContact O-N 3Å; T228-E231 PolarHBondContact OG1-N 3.42Å; E231-A233 PolarHBondContact O-N 2.95Å; E231-Q234 PolarHBondContact O-N 3.3Å; E231-Y235 WeakPolarHBondContact O-CB 3.03Å; E231-Y235 PolarHBondContact O-N 3.01Å
232	A	96.3	Very high	92.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-43.7	176.1	0	0	0	0	0	112.2	A215 L224 T228 Y235 I236	A215-A232 HydrophobicContact CB-CB 4.21Å; A215-A232 VanDerWaalsContact O-CB 3.3Å; A215-A232 WeakPolarHBondContact O-CB 3.44Å; L224-A232 HydrophobicContact CD1-CB 4.28Å; T228-A232 PolarHBondContact O-N 3.46Å; A232-Y235 PolarHBondContact O-N 2.96Å; A232-I236 WeakPolarHBondContact O-CB 3.23Å; A232-I236 WeakPolarHBondContact O-CD1 3.49Å; A232-I236 WeakPolarHBondContact O-CG1 3.37Å; A232-I236 PolarHBondContact O-N 3.06Å
233	A	97.5	Very high	92.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-46.6	178.5	0	0	0	0	0	112.1	V229 H230 E231 A237 V251 I253 I261 A263	V229-A233 WeakPolarHBondContact O-CB 3.41Å; V229-A233 PolarHBondContact O-N 3.39Å; H230-A233 PolarHBondContact O-N 2.99Å; E231-A233 PolarHBondContact O-N 2.95Å; A233-A237 WeakPolarHBondContact O-CB 3.47Å; A233-A237 PolarHBondContact O-N 3.21Å; A233-V251 HydrophobicContact CB-CG1 4.26Å; A233-I253 HydrophobicContact CB-CG1 4.02Å; A233-I261 HydrophobicContact CB-CG2 4.16Å; A233-A263 HydrophobicContact CB-CB 4.31Å
234	Q	96	Very high	92.6	Very high	29 Å²	29	48.6 Å²	48.6	14%	0.136	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-44.5	178	-172.2	60.1	48.5	0	0	111.6	H230 E231 I236 A237 D238 V270	H230-Q234 PolarHBondContact O-N 3.34Å; E231-Q234 PolarHBondContact O-N 3.3Å; Q234-I236 PolarHBondContact O-N 3.12Å; Q234-A237 WeakPolarHBondContact O-CA 3.35Å; Q234-A237 WeakPolarHBondContact O-CB 3.32Å; Q234-A237 PolarHBondContact O-N 2.78Å; Q234-D238 VanDerWaalsContact NE2-CG 3.31Å; Q234-D238 PolarHBondContact NE2-OD1 2.9Å; Q234-D238 PolarHBondContact NE2-OD2 3.31Å; Q234-D238 PolarHBondContact O-N 2.83Å; Q234-V270 HydrophobicContact CB-CG2 3.95Å
235	Y	96.5	Very high	92.7	Very high	86 Å²	86	53.4 Å²	53.4	34%	0.337	32%	0.315	S	S	.	.	H	α-helix	trans	-58	-47.2	178.2	-178.8	-89.1	0	0	0	111.6	F218 H222 L224 E231 A232 A237 D238 L239	F218-Y235 AromaticContact CE1-CD1 3.77Å; F218-Y235 HydrophobicContact CE1-CD1 3.77Å; F218-Y235 AromaticContact CE1-CE1 3.93Å; F218-Y235 HydrophobicContact CE1-CE1 3.93Å; F218-Y235 HydrophobicContact CZ-CE1 4.45Å; H222-Y235 HydrophobicContact CB-CE1 4.25Å; H222-Y235 AromaticContact CD2-CE1 3.82Å; L224-Y235 HydrophobicContact CD1-CD1 4.26Å; L224-Y235 HydrophobicContact CD1-CD2 4.44Å; L224-Y235 HydrophobicContact CD1-CG 3.92Å; L224-Y235 HydrophobicContact CD2-CD1 4.44Å; L224-Y235 HydrophobicContact CD2-CD2 3.58Å; L224-Y235 HydrophobicContact CD2-CE2 3.85Å; L224-Y235 HydrophobicContact CD2-CG 3.9Å; E231-Y235 WeakPolarHBondContact O-CB 3.03Å; E231-Y235 PolarHBondContact O-N 3.01Å; A232-Y235 PolarHBondContact O-N 2.96Å; Y235-A237 VanDerWaalsContact C-N 3.3Å; Y235-A237 PolarHBondContact O-N 3.42Å; Y235-D238 PolarHBondContact O-N 2.89Å; Y235-L239 HydrophobicContact CD1-CD1 4.43Å; Y235-L239 HydrophobicContact CD1-CD2 4.49Å; Y235-L239 HydrophobicContact CD1-CG 4.35Å; Y235-L239 HydrophobicContact CE1-CD1 4.19Å; Y235-L239 HydrophobicContact CE1-CD2 3.81Å; Y235-L239 HydrophobicContact CE1-CG 4.12Å; Y235-L239 WeakPolarHBondContact O-CG 3.45Å; Y235-L239 PolarHBondContact O-N 3.46Å
236	I	97.8	Very high	93.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-41.1	175.8	-66.8	167	0	0	0	110.6	L185 I202 V208 F218 A232 Q234 D238 L239 R249 V251	L185-I236 HydrophobicContact CD1-CD1 4.25Å; I202-I236 HydrophobicContact CD1-CG2 4.33Å; I202-I236 HydrophobicContact CG2-CG2 4Å; V208-I236 HydrophobicContact CB-CG2 4.09Å; V208-I236 HydrophobicContact CG1-CG2 4.07Å; V208-I236 HydrophobicContact CG2-CG2 4.07Å; F218-I236 HydrophobicContact CD1-CD1 3.84Å; F218-I236 HydrophobicContact CD1-CG1 3.81Å; F218-I236 HydrophobicContact CD2-CD1 4.38Å; F218-I236 HydrophobicContact CE1-CD1 4.07Å; F218-I236 HydrophobicContact CE1-CG1 3.53Å; F218-I236 HydrophobicContact CE2-CG1 4.41Å; F218-I236 HydrophobicContact CG-CD1 4.03Å; F218-I236 HydrophobicContact CG-CG1 4.39Å; F218-I236 HydrophobicContact CZ-CD1 4.42Å; F218-I236 HydrophobicContact CZ-CG1 3.85Å; A232-I236 WeakPolarHBondContact O-CB 3.23Å; A232-I236 WeakPolarHBondContact O-CD1 3.49Å; A232-I236 WeakPolarHBondContact O-CG1 3.37Å; A232-I236 PolarHBondContact O-N 3.06Å; Q234-I236 PolarHBondContact O-N 3.12Å; I236-D238 VanDerWaalsContact C-N 3.26Å; I236-D238 PolarHBondContact O-N 3.21Å; I236-L239 PolarHBondContact O-N 3.22Å; I236-R249 WeakPolarHBondContact O-CD 3.44Å; I236-R249 PolarHBondContact O-NH1 3.45Å; I236-V251 HydrophobicContact CB-CG1 4.36Å; I236-V251 HydrophobicContact CB-CG2 3.93Å; I236-V251 HydrophobicContact CG2-CG1 4.23Å; I236-V251 HydrophobicContact CG2-CG2 3.56Å
237	A	97.7	Very high	94.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.5	-40.1	178.3	0	0	0	0	0	111.1	A233 Q234 Y235 R249 V251 A263 S265	A233-A237 WeakPolarHBondContact O-CB 3.47Å; A233-A237 PolarHBondContact O-N 3.21Å; Q234-A237 WeakPolarHBondContact O-CA 3.35Å; Q234-A237 WeakPolarHBondContact O-CB 3.32Å; Q234-A237 PolarHBondContact O-N 2.78Å; Y235-A237 VanDerWaalsContact C-N 3.3Å; Y235-A237 PolarHBondContact O-N 3.42Å; A237-R249 PolarHBondContact O-NH1 3.11Å; A237-V251 HydrophobicContact CB-CG2 3.81Å; A237-A263 HydrophobicContact CB-CB 4.5Å; A237-S265 VanDerWaalsContact O-CB 3.22Å; A237-S265 WeakPolarHBondContact O-CB 3.44Å
238	D	96.6	Very high	95.6	Very high	92 Å²	92	55.6 Å²	55.6	49%	0.492	29%	0.292	S	S	.	.	H	α-helix	trans	-84.8	-9.4	-174.3	-66.9	-27.9	0	0	0	115.1	Q234 Y235 I236	Q234-D238 VanDerWaalsContact NE2-CG 3.31Å; Q234-D238 PolarHBondContact NE2-OD1 2.9Å; Q234-D238 PolarHBondContact NE2-OD2 3.31Å; Q234-D238 PolarHBondContact O-N 2.83Å; Y235-D238 PolarHBondContact O-N 2.89Å; I236-D238 VanDerWaalsContact C-N 3.26Å; I236-D238 PolarHBondContact O-N 3.21Å
239	L	97.3	Very high	96.3	Very high	35 Å²	35	53.5 Å²	53.5	18%	0.183	28%	0.279	C	S	.	.	S	Bend	trans	-55.6	141.7	177.6	-77.3	172.4	0	0	0	112.1	I202 F218 Y235 I236 R249	I202-L239 HydrophobicContact CG2-CB 4.42Å; I202-L239 HydrophobicContact CG2-CD1 3.78Å; F218-L239 HydrophobicContact CZ-CD1 4.18Å; Y235-L239 HydrophobicContact CD1-CD1 4.43Å; Y235-L239 HydrophobicContact CD1-CD2 4.49Å; Y235-L239 HydrophobicContact CD1-CG 4.35Å; Y235-L239 HydrophobicContact CE1-CD1 4.19Å; Y235-L239 HydrophobicContact CE1-CD2 3.81Å; Y235-L239 HydrophobicContact CE1-CG 4.12Å; Y235-L239 WeakPolarHBondContact O-CG 3.45Å; Y235-L239 PolarHBondContact O-N 3.46Å; I236-L239 PolarHBondContact O-N 3.22Å; L239-R249 PolarHBondContact O-NH1 3.47Å; L239-R249 PolarHBondContact O-NH2 3.36Å
240	P	97.3	Very high	96.6	Very high	94 Å²	94	52.6 Å²	52.6	61%	0.61	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-65.2	149.6	-179.9	26.8	-34.1	0	0	0	111.9
241	F	98.4	Very high	96.8	Very high	13 Å²	13	49.7 Å²	49.7	6%	0.057	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-76.6	150.7	166.7	-77	-90.9	0	0	0	110.5	L175 S203 S205 R206 D243 G244 R247 R249	L175-F241 HydrophobicContact CD1-CD1 4.23Å; S203-F241 CarbonylContact O-C 3.58Å; S203-F241 VanDerWaalsContact O-CA 3.23Å; S203-F241 WeakPolarHBondContact O-CA 3.44Å; S203-F241 WeakPolarHBondContact O-CD1 3.17Å; S205-F241 WeakPolarHBondContact O-CE1 3.14Å; R206-F241 HydrophobicContact CG-CE1 3.81Å; R206-F241 HydrophobicContact CG-CZ 3.98Å; F241-D243 PolarHBondContact O-N 3.21Å; F241-D243 VanDerWaalsContact O-N 3.11Å; F241-G244 PolarHBondContact O-N 2.7Å; F241-R247 HydrophobicContact CD2-CB 4.02Å; F241-R247 HydrophobicContact CE2-CB 3.66Å; F241-R247 WeakPolarHBondContact CE2-O 3.23Å; F241-R247 HydrophobicContact CZ-CB 3.96Å; F241-R249 HydrophobicContact CE2-CB 4.22Å; F241-R249 HydrophobicContact CZ-CB 3.95Å
242	A	98.2	Very high	97	Very high	52 Å²	52	47.2 Å²	47.2	43%	0.43	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.5	-175.5	0	0	0	0	0	114.3	L175 S203 Y204	L175-A242 HydrophobicContact CD2-CB 3.91Å; S203-A242 PolarHBondContact O-N 2.86Å; Y204-A242 HydrophobicContact CD1-CB 3.93Å; Y204-A242 HydrophobicContact CE1-CB 3.46Å; Y204-A242 VanDerWaalsContact CE1-CB 3.46Å; Y204-A242 HydrophobicContact CE2-CB 4.37Å
243	D	97.4	Very high	97.1	Very high	62 Å²	62	47.2 Å²	47.2	33%	0.332	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	6.5	179.1	75.9	-18.9	0	0	0	113.8	L175 F241 K245 R247	L175-D243 HydrophobicContact CD2-CB 4.13Å; F241-D243 PolarHBondContact O-N 3.21Å; F241-D243 VanDerWaalsContact O-N 3.11Å; D243-K245 PolarHBondContact O-N 3.21Å; D243-K245 VanDerWaalsContact O-N 3.1Å; D243-K245 PolarHBondContact OD1-N 3.11Å; D243-K245 VanDerWaalsContact OD1-N 3.14Å; D243-K245 WeakPolarHBondContact OD2-CD 3.39Å; D243-R247 IonicContact OD1-CZ 3.83Å; D243-R247 IonicContact OD1-NH1 2.63Å; D243-R247 PolarHBondContact OD1-NH1 2.9Å; D243-R247 IonicContact OD1-NH2 3.48Å; D243-R247 IonicContact OD2-CZ 2.72Å; D243-R247 IonicContact OD2-NH1 3.84Å; D243-R247 PolarHBondContact OD2-NH1 3Å; D243-R247 IonicContact OD2-NH2 2.61Å; D243-R247 PolarHBondContact OD2-NH2 2.61Å
244	G	96.7	Very high	97.1	Very high	63 Å²	63	48.4 Å²	48.4	65%	0.649	26%	0.256	S	S	*	.			trans	70.8	-2.2	178.1	0	0	0	0	0	115.5	F241	F241-G244 PolarHBondContact O-N 2.7Å
245	K	96	Very high	97.1	Very high	125 Å²	125	48.5 Å²	48.5	54%	0.543	26%	0.257	S	S	.	.			trans	-80.6	136.3	179.4	-62	179.7	-170.2	165.6	0	110.6	D243 R247	D243-K245 PolarHBondContact O-N 3.21Å; D243-K245 VanDerWaalsContact O-N 3.1Å; D243-K245 PolarHBondContact OD1-N 3.11Å; D243-K245 VanDerWaalsContact OD1-N 3.14Å; D243-K245 WeakPolarHBondContact OD2-CD 3.39Å; K245-R247 PolarHBondContact O-N 2.95Å; K245-R247 PolarHBondContact O-NH1 3.12Å
246	K	93.3	Very high	96.9	Very high	212 Å²	212	47.3 Å²	47.3	92%	0.922	27%	0.271	S	S	*	.			trans	-66.9	126.1	175.2	-67.3	-169.5	177.5	-171.6	0	110.4
247	R	94	Very high	96.6	Very high	49 Å²	49	54.1 Å²	54.1	19%	0.185	30%	0.3	C	S	.	.			trans	-143.5	159.8	172.6	-61.7	-177.9	-173.6	80.6	-5.2	109	F241 D243 K245 R249 S265	F241-R247 HydrophobicContact CD2-CB 4.02Å; F241-R247 HydrophobicContact CE2-CB 3.66Å; F241-R247 WeakPolarHBondContact CE2-O 3.23Å; F241-R247 HydrophobicContact CZ-CB 3.96Å; D243-R247 IonicContact OD1-CZ 3.83Å; D243-R247 IonicContact OD1-NH1 2.63Å; D243-R247 PolarHBondContact OD1-NH1 2.9Å; D243-R247 IonicContact OD1-NH2 3.48Å; D243-R247 IonicContact OD2-CZ 2.72Å; D243-R247 IonicContact OD2-NH1 3.84Å; D243-R247 PolarHBondContact OD2-NH1 3Å; D243-R247 IonicContact OD2-NH2 2.61Å; D243-R247 PolarHBondContact OD2-NH2 2.61Å; K245-R247 PolarHBondContact O-N 2.95Å; K245-R247 PolarHBondContact O-NH1 3.12Å; R247-R249 PolarHBondContact O-N 3.36Å; R247-S265 PolarHBondContact O-OG 3.16Å; R247-S265 VanDerWaalsContact O-OG 3.13Å
248	K	96.1	Very high	96.5	Very high	78 Å²	78	58.3 Å²	58.3	34%	0.339	32%	0.322	S	S	.	.			trans	-71.4	121.5	169.9	-178.1	170	176.3	134.7	0	110	D264 S265 T266	K248-D264 VanDerWaalsContact CE-OD2 3.25Å; K248-D264 WeakPolarHBondContact CE-OD2 3.46Å; K248-D264 HydrophobicContact CG-CB 4.26Å; K248-D264 IonicContact NZ-OD1 3.59Å; K248-D264 PolarHBondContact NZ-OD1 3.04Å; K248-D264 IonicContact NZ-OD2 3.36Å; K248-D264 PolarHBondContact NZ-OD2 2.9Å; K248-S265 WeakPolarHBondContact CA-OG 3.28Å; K248-T266 HydrophobicContact CB-CG2 4.16Å; K248-T266 HydrophobicContact CG-CG2 4.3Å
249	R	98.1	Very high	96.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.31	C	S	.	.			trans	-103.8	134.2	160.2	-174.4	179.2	-62.4	110	1.8	109.1	I202 S205 R206 I236 A237 L239 F241 R247 V251 D264 S265	I202-R249 PolarHBondContact O-NE 3.07Å; I202-R249 PolarHBondContact O-NH2 2.88Å; S205-R249 PolarHBondContact O-NE 2.89Å; R206-R249 WeakPolarHBondContact O-CA 3.36Å; I236-R249 WeakPolarHBondContact O-CD 3.44Å; I236-R249 PolarHBondContact O-NH1 3.45Å; A237-R249 PolarHBondContact O-NH1 3.11Å; L239-R249 PolarHBondContact O-NH1 3.47Å; L239-R249 PolarHBondContact O-NH2 3.36Å; F241-R249 HydrophobicContact CE2-CB 4.22Å; F241-R249 HydrophobicContact CZ-CB 3.95Å; R247-R249 PolarHBondContact O-N 3.36Å; R249-V251 HydrophobicContact CG-CG2 4.36Å; R249-D264 CarbonylContact O-C 3.51Å; R249-D264 WeakPolarHBondContact O-CA 3.29Å; R249-D264 WeakPolarHBondContact O-CB 3.48Å; R249-S265 PolarHBondContact N-OG 3.11Å; R249-S265 VanDerWaalsContact N-OG 3.16Å; R249-S265 PolarHBondContact O-N 3.42Å
250	L	98.4	Very high	96.6	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.9	170.5	173.2	66.1	0	0	0	109.2	R206 I207 V208 I252 Y262 D264 F297 Y301 M307	R206-L250 PolarHBondContact O-N 3.18Å; I207-L250 CarbonylContact C-O 3.59Å; I207-L250 VanDerWaalsContact CA-O 3.28Å; I207-L250 WeakPolarHBondContact CA-O 3.41Å; I207-L250 HydrophobicContact CG1-CB 4.4Å; I207-L250 HydrophobicContact CG1-CD2 4.49Å; V208-L250 PolarHBondContact N-O 2.56Å; L250-I252 HydrophobicContact CD1-CG1 4.29Å; L250-I252 HydrophobicContact CD2-CD1 3.96Å; L250-I252 HydrophobicContact CD2-CG1 4.27Å; L250-I252 HydrophobicContact CG-CD1 4.27Å; L250-I252 HydrophobicContact CG-CG1 4.03Å; L250-Y262 HydrophobicContact CD1-CD2 4.42Å; L250-D264 HydrophobicContact CD1-CB 4.32Å; L250-F297 HydrophobicContact CD2-CE1 4.18Å; L250-F297 HydrophobicContact CD2-CZ 3.6Å; L250-Y301 HydrophobicContact CD2-CE2 4.23Å; L250-M307 HydrophobicContact CD1-CE 3.66Å; L250-M307 HydrophobicContact CD1-SD 4.49Å; L250-M307 HydrophobicContact CD2-CE 3.44Å; L250-M307 VanDerWaalsContact CD2-CE 3.44Å; L250-M307 HydrophobicContact CD2-SD 4.21Å; L250-M307 HydrophobicContact CG-CE 4.19Å
251	V	98.7	Very high	96.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134	174.1	-174	0	0	0	0	108.5	V208 A233 I236 A237 R249 I253 Y262 A263	V208-V251 HydrophobicContact CB-CG1 4.49Å; V208-V251 HydrophobicContact CB-CG2 4.35Å; V208-V251 CarbonylContact O-C 3.21Å; V208-V251 VanDerWaalsContact O-CA 3.32Å; V208-V251 WeakPolarHBondContact O-CA 3.26Å; A233-V251 HydrophobicContact CB-CG1 4.26Å; I236-V251 HydrophobicContact CB-CG1 4.36Å; I236-V251 HydrophobicContact CB-CG2 3.93Å; I236-V251 HydrophobicContact CG2-CG1 4.23Å; I236-V251 HydrophobicContact CG2-CG2 3.56Å; A237-V251 HydrophobicContact CB-CG2 3.81Å; R249-V251 HydrophobicContact CG-CG2 4.36Å; V251-I253 HydrophobicContact CG1-CD1 3.84Å; V251-I253 HydrophobicContact CG1-CG1 4.34Å; V251-Y262 CarbonylContact O-C 3.48Å; V251-Y262 WeakPolarHBondContact O-CA 3.42Å; V251-Y262 WeakPolarHBondContact O-CB 3.17Å; V251-A263 PolarHBondContact N-O 2.93Å; V251-A263 PolarHBondContact O-N 2.83Å
252	I	98.8	Very high	96.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.3	179.2	-54.6	171.8	0	0	0	108.7	V208 I209 G210 L250 I260 I261 F293 F297 L311	V208-I252 PolarHBondContact O-N 2.97Å; I209-I252 WeakPolarHBondContact CA-O 3.24Å; G210-I252 PolarHBondContact N-O 2.98Å; L250-I252 HydrophobicContact CD1-CG1 4.29Å; L250-I252 HydrophobicContact CD2-CD1 3.96Å; L250-I252 HydrophobicContact CD2-CG1 4.27Å; L250-I252 HydrophobicContact CG-CD1 4.27Å; L250-I252 HydrophobicContact CG-CG1 4.03Å; I252-I260 HydrophobicContact CG2-CG2 3.5Å; I252-I261 CarbonylContact C-O 3.59Å; I252-I261 WeakPolarHBondContact CA-O 3.33Å; I252-F293 HydrophobicContact CG2-CE1 3.69Å; I252-F293 HydrophobicContact CG2-CZ 3.77Å; I252-F297 HydrophobicContact CD1-CD1 3.76Å; I252-F297 HydrophobicContact CD1-CD2 3.78Å; I252-F297 HydrophobicContact CD1-CE1 3.42Å; I252-F297 VanDerWaalsContact CD1-CE1 3.42Å; I252-F297 HydrophobicContact CD1-CE2 3.45Å; I252-F297 VanDerWaalsContact CD1-CE2 3.45Å; I252-F297 HydrophobicContact CD1-CG 3.96Å; I252-F297 HydrophobicContact CD1-CZ 3.29Å; I252-L311 HydrophobicContact CD1-CD2 4.3Å; I252-L311 HydrophobicContact CG2-CD2 4.16Å
253	I	98.5	Very high	96.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114	177.3	-47	-57.6	0	0	0	109.1	G210 N211 A215 V229 A233 V251 I261	G210-I253 VanDerWaalsContact O-CA 3.31Å; G210-I253 WeakPolarHBondContact O-CA 3.5Å; N211-I253 WeakPolarHBondContact O-CG2 3.45Å; A215-I253 HydrophobicContact CB-CD1 3.94Å; A215-I253 HydrophobicContact CB-CG1 4.13Å; A215-I253 HydrophobicContact CB-CG2 3.89Å; V229-I253 HydrophobicContact CG1-CB 3.81Å; V229-I253 HydrophobicContact CG1-CG1 4.04Å; V229-I253 HydrophobicContact CG1-CG2 3.48Å; V229-I253 VanDerWaalsContact CG1-CG2 3.48Å; A233-I253 HydrophobicContact CB-CG1 4.02Å; V251-I253 HydrophobicContact CG1-CD1 3.84Å; V251-I253 HydrophobicContact CG1-CG1 4.34Å; I253-I261 HydrophobicContact CB-CB 4.28Å; I253-I261 PolarHBondContact N-O 3.38Å; I253-I261 PolarHBondContact O-N 3.29Å
254	T	97.8	Very high	96.5	Very high	26 Å²	26	45.5 Å²	45.5	16%	0.16	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	151.1	171.7	58.7	0	0	0	0	110.3	G210 N211 E212 F293	G210-T254 PolarHBondContact O-N 3.44Å; G210-T254 PolarHBondContact O-OG1 2.74Å; N211-T254 CarbonylContact C-O 3.58Å; N211-T254 VanDerWaalsContact CA-O 3.26Å; N211-T254 WeakPolarHBondContact CA-O 3.35Å; E212-T254 PolarHBondContact N-O 2.91Å; E212-T254 VanDerWaalsContact N-O 3.08Å; T254-F293 HydrophobicContact CG2-CB 4.48Å; T254-F293 HydrophobicContact CG2-CD1 3.45Å; T254-F293 VanDerWaalsContact CG2-CD1 3.45Å; T254-F293 HydrophobicContact CG2-CD2 4.18Å; T254-F293 HydrophobicContact CG2-CE1 3.63Å; T254-F293 HydrophobicContact CG2-CE2 4.35Å; T254-F293 HydrophobicContact CG2-CG 3.75Å; T254-F293 HydrophobicContact CG2-CZ 4.09Å
255	Q	95.9	Very high	96.4	Very high	31 Å²	31	44.3 Å²	44.3	15%	0.145	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	44.4	-176.6	-55.3	-164.3	97.3	0	0	112.2	E212 K257 D258 P259 I261	E212-Q255 HydrophobicContact CB-CB 4.45Å; E212-Q255 HydrophobicContact CB-CG 4.06Å; E212-Q255 VanDerWaalsContact OE2-CA 3.32Å; E212-Q255 WeakPolarHBondContact OE2-CA 3.45Å; Q255-K257 PolarHBondContact O-N 3.26Å; Q255-D258 HydrophobicContact CB-CB 3.78Å; Q255-D258 WeakPolarHBondContact O-CB 3.41Å; Q255-D258 PolarHBondContact O-N 3.27Å; Q255-P259 PolarHBondContact NE2-O 3.03Å; Q255-I261 VanDerWaalsContact NE2-CG1 3.3Å
256	G	92.1	Very high	96.2	Very high	61 Å²	61	43 Å²	43	63%	0.629	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	-110.5	-171.9	0	0	0	0	0	112.2
257	K	91.6	Very high	96.2	Very high	143 Å²	143	35.1 Å²	35.1	62%	0.622	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-20.7	176.1	63.6	179	-177.8	-174.4	0	113.7	Q255 Q277	Q255-K257 PolarHBondContact O-N 3.26Å; K257-Q277 VanDerWaalsContact CB-OE1 3.24Å; K257-Q277 PolarHBondContact O-NE2 2.85Å
258	D	95.4	Very high	95.9	Very high	87 Å²	87	38.3 Å²	38.3	47%	0.465	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	161.7	-177.6	-62.5	-38.6	0	0	0	110.7	Q255 I260	Q255-D258 HydrophobicContact CB-CB 3.78Å; Q255-D258 WeakPolarHBondContact O-CB 3.41Å; Q255-D258 PolarHBondContact O-N 3.27Å; D258-I260 PolarHBondContact O-N 3.43Å
259	P	97.3	Very high	95.8	Very high	36 Å²	36	38.1 Å²	38.1	23%	0.234	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	137.3	-178.3	-27.1	35.6	0	0	0	112.5	Q255 I261 Q272 Y273	Q255-P259 PolarHBondContact NE2-O 3.03Å; P259-I261 PolarHBondContact O-N 3.2Å; P259-Q272 HydrophobicContact CB-CB 4.13Å; P259-Y273 CarbonylContact C-O 3.51Å; P259-Y273 VanDerWaalsContact CA-O 3.31Å; P259-Y273 WeakPolarHBondContact CA-O 3.2Å
260	I	98.2	Very high	95.7	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	131	171.3	-67.3	157.7	0	0	0	108.1	I252 D258 Q272 Y273 V275 F293 L311 V315	I252-I260 HydrophobicContact CG2-CG2 3.5Å; D258-I260 PolarHBondContact O-N 3.43Å; I260-Q272 CarbonylContact O-C 3.6Å; I260-Q272 VanDerWaalsContact O-CA 3.29Å; I260-Q272 WeakPolarHBondContact O-CA 3.31Å; I260-Y273 HydrophobicContact CD1-CD1 4.17Å; I260-Y273 PolarHBondContact N-O 2.87Å; I260-Y273 PolarHBondContact O-N 3.17Å; I260-V275 HydrophobicContact CD1-CG2 3.78Å; I260-V275 HydrophobicContact CG1-CG2 3.72Å; I260-F293 HydrophobicContact CD1-CD2 4.2Å; I260-F293 HydrophobicContact CD1-CE2 3.36Å; I260-F293 HydrophobicContact CD1-CZ 3.86Å; I260-F293 HydrophobicContact CG1-CE2 4.38Å; I260-F293 HydrophobicContact CG2-CZ 4.38Å; I260-L311 HydrophobicContact CG2-CD2 4.1Å; I260-V315 HydrophobicContact CD1-CG2 3.56Å
261	I	97.9	Very high	95.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.8	172.3	-54	-53.6	0	0	0	108.7	V229 H230 A233 I252 I253 Q255 P259 V270 H271 Q272	V229-I261 HydrophobicContact CG1-CB 4.49Å; V229-I261 HydrophobicContact CG1-CG1 4.18Å; H230-I261 WeakPolarHBondContact NE2-CD1 3.44Å; A233-I261 HydrophobicContact CB-CG2 4.16Å; I252-I261 CarbonylContact C-O 3.59Å; I252-I261 WeakPolarHBondContact CA-O 3.33Å; I253-I261 HydrophobicContact CB-CB 4.28Å; I253-I261 PolarHBondContact N-O 3.38Å; I253-I261 PolarHBondContact O-N 3.29Å; Q255-I261 VanDerWaalsContact NE2-CG1 3.3Å; P259-I261 PolarHBondContact O-N 3.2Å; I261-V270 HydrophobicContact CG2-CG1 3.25Å; I261-H271 WeakPolarHBondContact CA-O 3.37Å; I261-Q272 HydrophobicContact CD1-CB 4.42Å; I261-Q272 HydrophobicContact CD1-CG 3.66Å
262	Y	98	Very high	95.5	Very high	26 Å²	26	47.8 Å²	47.8	10%	0.102	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.5	168.6	69.5	-84.7	0	0	0	111.8	L250 V251 H271 M307 L311	L250-Y262 HydrophobicContact CD1-CD2 4.42Å; V251-Y262 CarbonylContact O-C 3.48Å; V251-Y262 WeakPolarHBondContact O-CA 3.42Å; V251-Y262 WeakPolarHBondContact O-CB 3.17Å; Y262-H271 HydrophobicContact CD1-CB 3.86Å; Y262-H271 HydrophobicContact CD2-CB 3.95Å; Y262-H271 HydrophobicContact CE1-CB 3.38Å; Y262-H271 HydrophobicContact CE2-CB 3.45Å; Y262-H271 VanDerWaalsContact CE2-CB 3.45Å; Y262-H271 AromaticContact CE2-CD2 3.89Å; Y262-H271 AromaticContact CE2-CG 3.7Å; Y262-H271 HydrophobicContact CG-CB 4.13Å; Y262-H271 AromaticContact CZ-CG 3.67Å; Y262-H271 PolarHBondContact N-O 3.15Å; Y262-H271 PolarHBondContact O-N 3.1Å; Y262-H271 WeakPolarHBondContact OH-CB 3.4Å; Y262-M307 HydrophobicContact CD2-CG 4.3Å; Y262-M307 HydrophobicContact CE2-CG 3.91Å; Y262-L311 HydrophobicContact CD1-CD1 3.65Å; Y262-L311 HydrophobicContact CE1-CD1 3.6Å; Y262-L311 HydrophobicContact CG-CD1 4.31Å
263	A	97.8	Very high	95.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.5	-179.8	0	0	0	0	0	109.3	A233 A237 V251 V270	A233-A263 HydrophobicContact CB-CB 4.31Å; A237-A263 HydrophobicContact CB-CB 4.5Å; V251-A263 PolarHBondContact N-O 2.93Å; V251-A263 PolarHBondContact O-N 2.83Å; A263-V270 HydrophobicContact CB-CG2 4.24Å
264	D	95.6	Very high	95.4	Very high	13 Å²	13	55 Å²	55	7%	0.07	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	151.7	170.7	77.2	72.4	0	0	0	112.7	K248 R249 L250 T266 D267	K248-D264 VanDerWaalsContact CE-OD2 3.25Å; K248-D264 WeakPolarHBondContact CE-OD2 3.46Å; K248-D264 HydrophobicContact CG-CB 4.26Å; K248-D264 IonicContact NZ-OD1 3.59Å; K248-D264 PolarHBondContact NZ-OD1 3.04Å; K248-D264 IonicContact NZ-OD2 3.36Å; K248-D264 PolarHBondContact NZ-OD2 2.9Å; R249-D264 CarbonylContact O-C 3.51Å; R249-D264 WeakPolarHBondContact O-CA 3.29Å; R249-D264 WeakPolarHBondContact O-CB 3.48Å; L250-D264 HydrophobicContact CD1-CB 4.32Å; D264-T266 PolarHBondContact O-N 3.15Å; D264-T266 WeakPolarHBondContact OD1-CA 3.29Å; D264-T266 WeakPolarHBondContact OD1-CB 3.43Å; D264-T266 PolarHBondContact OD1-N 3.33Å; D264-T266 PolarHBondContact OD1-OG1 3.12Å; D264-D267 PolarHBondContact O-N 2.87Å; D264-D267 VanDerWaalsContact O-N 3.08Å; D264-D267 PolarHBondContact OD1-N 3.26Å
265	S	93.9	Very high	95.2	Very high	38 Å²	38	54.7 Å²	54.7	27%	0.266	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	3.1	-172	74.1	0	0	0	0	114.9	A237 R247 K248 R249	A237-S265 VanDerWaalsContact O-CB 3.22Å; A237-S265 WeakPolarHBondContact O-CB 3.44Å; R247-S265 PolarHBondContact O-OG 3.16Å; R247-S265 VanDerWaalsContact O-OG 3.13Å; K248-S265 WeakPolarHBondContact CA-OG 3.28Å; R249-S265 PolarHBondContact N-OG 3.11Å; R249-S265 VanDerWaalsContact N-OG 3.16Å; R249-S265 PolarHBondContact O-N 3.42Å
266	T	93.4	Very high	95	Very high	98 Å²	98	59.7 Å²	59.7	60%	0.601	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-8.3	177.4	64.5	0	0	0	0	113.3	K248 D264	K248-T266 HydrophobicContact CB-CG2 4.16Å; K248-T266 HydrophobicContact CG-CG2 4.3Å; D264-T266 PolarHBondContact O-N 3.15Å; D264-T266 WeakPolarHBondContact OD1-CA 3.29Å; D264-T266 WeakPolarHBondContact OD1-CB 3.43Å; D264-T266 PolarHBondContact OD1-N 3.33Å; D264-T266 PolarHBondContact OD1-OG1 3.12Å
267	D	92.5	Very high	94.8	Very high	46 Å²	46	61.9 Å²	61.9	25%	0.246	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.5	178.1	-175.1	-6.9	0	0	0	108.9	D264 T269 H271	D264-D267 PolarHBondContact O-N 2.87Å; D264-D267 VanDerWaalsContact O-N 3.08Å; D264-D267 PolarHBondContact OD1-N 3.26Å; D267-T269 PolarHBondContact O-N 2.93Å; D267-T269 VanDerWaalsContact O-N 3.12Å; D267-T269 WeakPolarHBondContact OD1-CB 3.3Å; D267-T269 PolarHBondContact OD1-N 3.35Å; D267-T269 PolarHBondContact OD1-OG1 3.33Å; D267-H271 IonicContact OD2-CD2 2.76Å; D267-H271 IonicContact OD2-CE1 3.52Å; D267-H271 IonicContact OD2-NE2 3.18Å; D267-H271 PolarHBondContact OD2-NE2 3.06Å
268	P	88.5	Confident	94.8	Very high	116 Å²	116	56.6 Å²	56.6	75%	0.753	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	-6	177.2	31.2	-37.1	0	0	0	113.2
269	T	93.4	Very high	94.6	Very high	74 Å²	74	59.2 Å²	59.2	45%	0.454	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126	179.9	-43.4	0	0	0	0	110.5	D267 H271	D267-T269 PolarHBondContact O-N 2.93Å; D267-T269 VanDerWaalsContact O-N 3.12Å; D267-T269 WeakPolarHBondContact OD1-CB 3.3Å; D267-T269 PolarHBondContact OD1-N 3.35Å; D267-T269 PolarHBondContact OD1-OG1 3.33Å; T269-H271 PolarHBondContact O-CD2 2.92Å; T269-H271 PolarHBondContact O-NE2 2.98Å
270	V	94.9	Very high	94.2	Very high	37 Å²	37	62.4 Å²	62.4	22%	0.224	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	119.6	166.3	-178.3	0	0	0	0	109	H230 Q234 I261 A263	H230-V270 HydrophobicContact CB-CG1 4.08Å; H230-V270 HydrophobicContact CB-CG2 4.48Å; Q234-V270 HydrophobicContact CB-CG2 3.95Å; I261-V270 HydrophobicContact CG2-CG1 3.25Å; A263-V270 HydrophobicContact CB-CG2 4.24Å
271	H	97.3	Very high	93.9	Very high	55 Å²	55	70 Å²	70	26%	0.255	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	161.3	-175.7	-64.6	-93.4	0	0	0	112.3	I261 Y262 D267 T269	I261-H271 WeakPolarHBondContact CA-O 3.37Å; Y262-H271 HydrophobicContact CD1-CB 3.86Å; Y262-H271 HydrophobicContact CD2-CB 3.95Å; Y262-H271 HydrophobicContact CE1-CB 3.38Å; Y262-H271 HydrophobicContact CE2-CB 3.45Å; Y262-H271 VanDerWaalsContact CE2-CB 3.45Å; Y262-H271 AromaticContact CE2-CD2 3.89Å; Y262-H271 AromaticContact CE2-CG 3.7Å; Y262-H271 HydrophobicContact CG-CB 4.13Å; Y262-H271 AromaticContact CZ-CG 3.67Å; Y262-H271 PolarHBondContact N-O 3.15Å; Y262-H271 PolarHBondContact O-N 3.1Å; Y262-H271 WeakPolarHBondContact OH-CB 3.4Å; D267-H271 IonicContact OD2-CD2 2.76Å; D267-H271 IonicContact OD2-CE1 3.52Å; D267-H271 IonicContact OD2-NE2 3.18Å; D267-H271 PolarHBondContact OD2-NE2 3.06Å; T269-H271 PolarHBondContact O-CD2 2.92Å; T269-H271 PolarHBondContact O-NE2 2.98Å
272	Q	97.4	Very high	93.6	Very high	112 Å²	112	73.4 Å²	73.4	52%	0.523	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.6	176.6	-52.1	-168.5	5	0	0	111.1	H230 P259 I260 I261	H230-Q272 PolarHBondContact NE2-NE2 3.42Å; P259-Q272 HydrophobicContact CB-CB 4.13Å; I260-Q272 CarbonylContact O-C 3.6Å; I260-Q272 VanDerWaalsContact O-CA 3.29Å; I260-Q272 WeakPolarHBondContact O-CA 3.31Å; I261-Q272 HydrophobicContact CD1-CB 4.42Å; I261-Q272 HydrophobicContact CD1-CG 3.66Å
273	Y	97.7	Very high	93.4	Very high	41 Å²	41	74.4 Å²	74.4	16%	0.161	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117.9	172	178.8	-92.3	0	0	0	110.1	P259 I260 V275 I308 L311 Q312 V315	P259-Y273 CarbonylContact C-O 3.51Å; P259-Y273 VanDerWaalsContact CA-O 3.31Å; P259-Y273 WeakPolarHBondContact CA-O 3.2Å; I260-Y273 HydrophobicContact CD1-CD1 4.17Å; I260-Y273 PolarHBondContact N-O 2.87Å; I260-Y273 PolarHBondContact O-N 3.17Å; Y273-V275 PolarHBondContact O-N 3.48Å; Y273-I308 HydrophobicContact CD2-CD1 4.13Å; Y273-I308 HydrophobicContact CD2-CG2 4.28Å; Y273-I308 HydrophobicContact CE2-CG2 3.81Å; Y273-L311 HydrophobicContact CD1-CB 4.17Å; Y273-L311 HydrophobicContact CD2-CB 4.42Å; Y273-L311 HydrophobicContact CD2-CD1 4.39Å; Y273-L311 HydrophobicContact CE1-CB 4.43Å; Y273-L311 HydrophobicContact CG-CB 4.15Å; Y273-L311 HydrophobicContact CG-CD1 4.11Å; Y273-Q312 WeakPolarHBondContact OH-CB 3.28Å; Y273-V315 HydrophobicContact CD1-CG2 4.45Å; Y273-V315 HydrophobicContact CE1-CG2 4.02Å
274	V	96.9	Very high	93.1	Very high	110 Å²	110	77.7 Å²	77.7	67%	0.667	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-68.4	123.4	179.7	179.9	0	0	0	0	109.6
275	V	93.6	Very high	93	Very high	19 Å²	19	77.2 Å²	77.2	12%	0.115	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-78.6	133	177.9	-179.5	0	0	0	0	109.4	I260 Y273 Q277 V315	I260-V275 HydrophobicContact CD1-CG2 3.78Å; I260-V275 HydrophobicContact CG1-CG2 3.72Å; Y273-V275 PolarHBondContact O-N 3.48Å; V275-Q277 PolarHBondContact O-N 3.45Å; V275-Q277 PolarHBondContact O-NE2 3.48Å; V275-V315 HydrophobicContact CG1-CG1 3.8Å; V275-V315 HydrophobicContact CG1-CG2 4.13Å; V275-V315 HydrophobicContact CG2-CG2 4.19Å
276	E	90.7	Very high	93	Very high	137 Å²	137	76.4 Å²	76.4	64%	0.64	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-66.8	120.5	170	-175.4	179.4	173.3	0	0	109.2
277	Q	89.1	Confident	93	Very high	106 Å²	106	71.9 Å²	71.9	50%	0.495	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-76.3	135	-175.1	-59.9	-59.1	-34.1	0	0	111.2	K257 V275	K257-Q277 VanDerWaalsContact CB-OE1 3.24Å; K257-Q277 PolarHBondContact O-NE2 2.85Å; V275-Q277 PolarHBondContact O-N 3.45Å; V275-Q277 PolarHBondContact O-NE2 3.48Å
278	L	90.3	Very high	93.1	Very high	32 Å²	32	70 Å²	70	17%	0.168	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-80.6	146.3	164.1	-64.2	-171.2	0	0	0	109.9	M283 A319 I322 R323	L278-M283 HydrophobicContact CB-CG 3.94Å; L278-M283 HydrophobicContact CB-SD 4.38Å; L278-M283 HydrophobicContact CD1-CG 4.23Å; L278-A319 HydrophobicContact CD1-CB 4.09Å; L278-A319 HydrophobicContact CD2-CB 4.07Å; L278-A319 HydrophobicContact CG-CB 4.33Å; L278-I322 HydrophobicContact CD1-CB 4.01Å; L278-I322 HydrophobicContact CD1-CG2 3.75Å; L278-R323 HydrophobicContact CD1-CG 4.35Å
279	K	91.6	Very high	93.5	Very high	142 Å²	142	65.3 Å²	65.3	62%	0.617	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-70.5	146.7	166.1	-59.6	-178.7	-180	179	0	109	E281 E282	K279-E281 WeakPolarHBondContact CB-OE2 3.29Å; K279-E281 PolarHBondContact O-N 2.84Å; K279-E281 VanDerWaalsContact O-N 3.14Å; K279-E282 HydrophobicContact CB-CG 4.23Å; K279-E282 PolarHBondContact N-OE2 3.26Å; K279-E282 VanDerWaalsContact N-OE2 3.08Å; K279-E282 WeakPolarHBondContact O-CB 3.46Å; K279-E282 PolarHBondContact O-N 3.09Å
280	D	89.2	Confident	93.6	Very high	104 Å²	104	63.5 Å²	63.5	56%	0.556	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-56.6	-33.1	179.4	-88.2	-40.6	0	0	0	112.4	K119 E282 M283	K119-D280 WeakPolarHBondContact CE-O 3.4Å; K119-D280 PolarHBondContact NZ-O 2.78Å; K119-D280 IonicContact NZ-OD1 3.79Å; K119-D280 PolarHBondContact NZ-OD1 2.73Å; D280-E282 PolarHBondContact O-N 3.41Å; D280-M283 PolarHBondContact O-N 3.39Å
281	E	92.6	Very high	93.8	Very high	164 Å²	164	62.8 Å²	62.8	77%	0.766	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-73.2	-16.4	179.8	-51.4	78.4	-161.3	0	0	113.3	K279	K279-E281 WeakPolarHBondContact CB-OE2 3.29Å; K279-E281 PolarHBondContact O-N 2.84Å; K279-E281 VanDerWaalsContact O-N 3.14Å
282	E	91.7	Very high	93.8	Very high	71 Å²	71	60.1 Å²	60.1	33%	0.332	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-85.2	-18.4	175.1	-63.6	179.6	90.3	0	0	112.4	K279 D280 R323	K279-E282 HydrophobicContact CB-CG 4.23Å; K279-E282 PolarHBondContact N-OE2 3.26Å; K279-E282 VanDerWaalsContact N-OE2 3.08Å; K279-E282 WeakPolarHBondContact O-CB 3.46Å; K279-E282 PolarHBondContact O-N 3.09Å; D280-E282 PolarHBondContact O-N 3.41Å; E282-R323 HydrophobicContact CB-CG 4.36Å; E282-R323 WeakPolarHBondContact O-CA 3.15Å; E282-R323 WeakPolarHBondContact O-CG 3.39Å; E282-R323 IonicContact OE1-CZ 3.2Å; E282-R323 IonicContact OE1-NE 3.58Å; E282-R323 PolarHBondContact OE1-NE 3.47Å; E282-R323 VanDerWaalsContact OE1-NE 3.08Å; E282-R323 IonicContact OE1-NH2 3.4Å; E282-R323 PolarHBondContact OE1-NH2 3.21Å; E282-R323 IonicContact OE2-NH2 2.61Å
283	M	92.9	Very high	93.9	Very high	48 Å²	48	55.1 Å²	55.1	24%	0.236	29%	0.288	C	S	.	.			trans	-85.3	125.2	-174.2	-62.6	177.6	62.3	0	0	111.1	K119 L278 D280 T286 I322	K119-M283 HydrophobicContact CD-CB 3.86Å; K119-M283 WeakPolarHBondContact CE-O 3.29Å; L278-M283 HydrophobicContact CB-CG 3.94Å; L278-M283 HydrophobicContact CB-SD 4.38Å; L278-M283 HydrophobicContact CD1-CG 4.23Å; D280-M283 PolarHBondContact O-N 3.39Å; M283-T286 HydrophobicContact CE-CG2 4.29Å; M283-I322 HydrophobicContact CB-CG2 3.97Å; M283-I322 HydrophobicContact CE-CG2 4.05Å; M283-I322 HydrophobicContact CG-CG2 3.74Å
284	V	92.6	Very high	93.9	Very high	69 Å²	69	53.1 Å²	53.1	42%	0.418	28%	0.281	S	S	.	.			trans	-96.4	-65.2	175.3	176.8	0	0	0	0	109.8	I322 R323	V284-I322 PolarHBondContact N-O 3.41Å; V284-R323 WeakPolarHBondContact CG2-O 3.33Å
285	D	92.6	Very high	94	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	25%	0.249	C	C	.	.			trans	-152.1	168.1	171.8	69.6	67.7	0	0	0	110.9	I116 N287 I322 S325 G326	I116-D285 HydrophobicContact CD1-CB 3.94Å; I116-D285 HydrophobicContact CG1-CB 4.21Å; I116-D285 HydrophobicContact CG2-CB 3.88Å; D285-N287 VanDerWaalsContact OD1-CB 3.23Å; D285-N287 WeakPolarHBondContact OD1-CB 3.21Å; D285-N287 PolarHBondContact OD1-N 2.75Å; D285-I322 PolarHBondContact N-O 3.14Å; D285-I322 VanDerWaalsContact O-CA 3.25Å; D285-I322 WeakPolarHBondContact O-CA 3.5Å; D285-S325 WeakPolarHBondContact OD2-CA 3.4Å; D285-S325 PolarHBondContact OD2-OG 3.23Å; D285-G326 PolarHBondContact OD1-N 3.32Å; D285-G326 PolarHBondContact OD2-N 3.14Å
286	T	93.4	Very high	94.2	Very high	20 Å²	20	47 Å²	47	12%	0.123	24%	0.244	C	C	.	.			trans	-101.5	9.1	-177.2	49	0	0	0	0	113.2	K119 R121 M283 G288 A289	K119-T286 PolarHBondContact O-N 3.16Å; K119-T286 PolarHBondContact O-OG1 3.14Å; R121-T286 VanDerWaalsContact CD-OG1 3.31Å; R121-T286 WeakPolarHBondContact CD-OG1 3.32Å; M283-T286 HydrophobicContact CE-CG2 4.29Å; T286-G288 PolarHBondContact O-N 3.25Å; T286-A289 VanDerWaalsContact O-CB 3.28Å; T286-A289 WeakPolarHBondContact O-CB 3.41Å; T286-A289 PolarHBondContact O-N 3.26Å; T286-A289 VanDerWaalsContact O-N 3.15Å
287	N	93.7	Very high	94.6	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	125.3	-177.6	-177.2	37	0	0	0	111.1	L9 V114 R121 D285 A289 I321	L9-N287 HydrophobicContact CD2-CB 4.45Å; V114-N287 HydrophobicContact CG1-CB 4.16Å; R121-N287 HydrophobicContact CB-CB 4.38Å; D285-N287 VanDerWaalsContact OD1-CB 3.23Å; D285-N287 WeakPolarHBondContact OD1-CB 3.21Å; D285-N287 PolarHBondContact OD1-N 2.75Å; N287-A289 VanDerWaalsContact C-N 3.28Å; N287-A289 PolarHBondContact O-N 3.48Å; N287-I321 WeakPolarHBondContact O-CG2 3.24Å
288	G	95.4	Very high	95.1	Very high	6 Å²	6	35.6 Å²	35.6	6%	0.062	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	10.2	-176.5	0	0	0	0	0	115.1	T286 G290 D291 S292	T286-G288 PolarHBondContact O-N 3.25Å; G288-G290 PolarHBondContact O-N 2.85Å; G288-D291 PolarHBondContact O-N 3.4Å; G288-S292 WeakPolarHBondContact O-CB 3.17Å; G288-S292 PolarHBondContact O-N 3.47Å; G288-S292 PolarHBondContact O-OG 2.81Å
289	A	95.8	Very high	95.4	Very high	18 Å²	18	34.1 Å²	34.1	15%	0.149	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-45	175.5	0	0	0	0	0	112.2	T286 N287 S292 F293 I322	T286-A289 VanDerWaalsContact O-CB 3.28Å; T286-A289 WeakPolarHBondContact O-CB 3.41Å; T286-A289 PolarHBondContact O-N 3.26Å; T286-A289 VanDerWaalsContact O-N 3.15Å; N287-A289 VanDerWaalsContact C-N 3.28Å; N287-A289 PolarHBondContact O-N 3.48Å; A289-S292 WeakPolarHBondContact O-CB 3.17Å; A289-S292 PolarHBondContact O-N 2.72Å; A289-F293 PolarHBondContact O-N 3.41Å; A289-I322 HydrophobicContact CB-CD1 3.98Å; A289-I322 HydrophobicContact CB-CG1 3.82Å
290	G	96.8	Very high	95.7	Very high	36 Å²	36	27.4 Å²	27.4	37%	0.371	15%	0.153	S	C	.	.	H	α-helix	trans	-65.2	-41.7	176.2	0	0	0	0	0	113.3	G288 S292 F293 A294	G288-G290 PolarHBondContact O-N 2.85Å; G290-S292 VanDerWaalsContact C-N 3.26Å; G290-S292 PolarHBondContact O-N 2.8Å; G290-F293 PolarHBondContact O-N 2.92Å; G290-A294 PolarHBondContact O-N 2.84Å
291	D	98.3	Very high	96.1	Very high	21 Å²	21	25.1 Å²	25.1	11%	0.112	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-40.4	175	-60.1	-30.6	0	0	0	111.4	A54 N57 T58 G288 A294 A295 F327	A54-D291 VanDerWaalsContact CA-OD1 3.28Å; A54-D291 WeakPolarHBondContact CA-OD1 3.48Å; A54-D291 WeakPolarHBondContact CA-OD2 3.32Å; A54-D291 VanDerWaalsContact CB-OD1 3.31Å; A54-D291 WeakPolarHBondContact CB-OD1 3.38Å; N57-D291 HydrophobicContact CB-CB 3.66Å; N57-D291 VanDerWaalsContact CB-OD2 3.29Å; N57-D291 WeakPolarHBondContact CB-OD2 3.48Å; N57-D291 PolarHBondContact ND2-OD2 2.93Å; T58-D291 WeakPolarHBondContact OG1-CA 3.35Å; T58-D291 PolarHBondContact OG1-O 3.47Å; G288-D291 PolarHBondContact O-N 3.4Å; D291-A294 PolarHBondContact O-N 2.97Å; D291-A295 WeakPolarHBondContact O-CB 3.41Å; D291-A295 PolarHBondContact O-N 2.88Å; D291-F327 HydrophobicContact CB-CE2 4.18Å
292	S	98.3	Very high	96.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69.2	-42.3	178.9	-54	0	0	0	0	111.5	M61 G288 A289 G290 A295 G296 A317 I321 F327	M61-S292 VanDerWaalsContact SD-CB 3.57Å; G288-S292 WeakPolarHBondContact O-CB 3.17Å; G288-S292 PolarHBondContact O-N 3.47Å; G288-S292 PolarHBondContact O-OG 2.81Å; A289-S292 WeakPolarHBondContact O-CB 3.17Å; A289-S292 PolarHBondContact O-N 2.72Å; G290-S292 VanDerWaalsContact C-N 3.26Å; G290-S292 PolarHBondContact O-N 2.8Å; S292-A295 WeakPolarHBondContact O-CB 3.26Å; S292-A295 PolarHBondContact O-N 2.97Å; S292-G296 PolarHBondContact O-N 2.92Å; S292-A317 WeakPolarHBondContact CB-O 3.43Å; S292-A317 WeakPolarHBondContact O-CB 3.23Å; S292-I321 WeakPolarHBondContact OG-CB 3.21Å; S292-I321 WeakPolarHBondContact OG-CG1 3.4Å; S292-F327 VanDerWaalsContact OG-CE2 3.23Å; S292-F327 WeakPolarHBondContact OG-CE2 3.24Å
293	F	98.5	Very high	96.5	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-56.7	-52.1	172.9	175.4	-92.9	0	0	0	110.8	I252 T254 I260 A289 G290 A295 G296 F297 L311 G314 V315 A318	I252-F293 HydrophobicContact CG2-CE1 3.69Å; I252-F293 HydrophobicContact CG2-CZ 3.77Å; T254-F293 HydrophobicContact CG2-CB 4.48Å; T254-F293 HydrophobicContact CG2-CD1 3.45Å; T254-F293 VanDerWaalsContact CG2-CD1 3.45Å; T254-F293 HydrophobicContact CG2-CD2 4.18Å; T254-F293 HydrophobicContact CG2-CE1 3.63Å; T254-F293 HydrophobicContact CG2-CE2 4.35Å; T254-F293 HydrophobicContact CG2-CG 3.75Å; T254-F293 HydrophobicContact CG2-CZ 4.09Å; I260-F293 HydrophobicContact CD1-CD2 4.2Å; I260-F293 HydrophobicContact CD1-CE2 3.36Å; I260-F293 HydrophobicContact CD1-CZ 3.86Å; I260-F293 HydrophobicContact CG1-CE2 4.38Å; I260-F293 HydrophobicContact CG2-CZ 4.38Å; A289-F293 PolarHBondContact O-N 3.41Å; G290-F293 PolarHBondContact O-N 2.92Å; F293-A295 VanDerWaalsContact C-N 3.27Å; F293-A295 PolarHBondContact O-N 2.87Å; F293-G296 PolarHBondContact O-N 3.27Å; F293-F297 HydrophobicContact CE1-CB 4.43Å; F293-F297 HydrophobicContact CZ-CB 4.48Å; F293-F297 VanDerWaalsContact O-CB 3.32Å; F293-F297 WeakPolarHBondContact O-CB 3.45Å; F293-F297 PolarHBondContact O-N 2.91Å; F293-L311 HydrophobicContact CZ-CD2 3.99Å; F293-G314 WeakPolarHBondContact CA-O 3.35Å; F293-G314 WeakPolarHBondContact O-CA 3.09Å; F293-V315 HydrophobicContact CE2-CG2 4.37Å; F293-A318 HydrophobicContact CB-CB 4.25Å
294	A	98.7	Very high	96.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-56.6	-43.5	177.4	0	0	0	0	0	111.1	T58 Y154 I209 G290 D291 I298	T58-A294 HydrophobicContact CG2-CB 4.05Å; Y154-A294 HydrophobicContact CE2-CB 3.98Å; I209-A294 HydrophobicContact CD1-CB 3.83Å; G290-A294 PolarHBondContact O-N 2.84Å; D291-A294 PolarHBondContact O-N 2.97Å; A294-I298 VanDerWaalsContact O-CB 3.23Å; A294-I298 WeakPolarHBondContact O-CB 3.43Å; A294-I298 WeakPolarHBondContact O-CD1 3.44Å; A294-I298 WeakPolarHBondContact O-CG1 3.31Å; A294-I298 PolarHBondContact O-N 3.44Å
295	A	98.7	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-51	178.1	0	0	0	0	0	112.8	T58 M61 I62 D291 S292 F293 F297 I298 A299	T58-A295 HydrophobicContact CG2-CB 4.02Å; T58-A295 WeakPolarHBondContact O-CB 3.39Å; M61-A295 HydrophobicContact CB-CB 3.66Å; M61-A295 HydrophobicContact CG-CB 3.69Å; M61-A295 HydrophobicContact SD-CB 4.12Å; I62-A295 HydrophobicContact CG1-CB 3.83Å; D291-A295 WeakPolarHBondContact O-CB 3.41Å; D291-A295 PolarHBondContact O-N 2.88Å; S292-A295 WeakPolarHBondContact O-CB 3.26Å; S292-A295 PolarHBondContact O-N 2.97Å; F293-A295 VanDerWaalsContact C-N 3.27Å; F293-A295 PolarHBondContact O-N 2.87Å; A295-F297 PolarHBondContact O-N 3.1Å; A295-I298 PolarHBondContact O-N 2.9Å; A295-A299 WeakPolarHBondContact O-CB 3.42Å; A295-A299 PolarHBondContact O-N 2.79Å
296	G	98.4	Very high	97.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-43.1	-179.8	0	0	0	0	0	112.4	S292 F293 D300 S313	S292-G296 PolarHBondContact O-N 2.92Å; F293-G296 PolarHBondContact O-N 3.27Å; G296-D300 PolarHBondContact O-N 3.44Å; G296-S313 WeakPolarHBondContact O-CB 3.35Å
297	F	98.7	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-54.9	176.1	175	-93.7	0	0	0	111.6	I207 L250 I252 F293 A295 A299 D300 Y301 M307 S310 L311	I207-F297 HydrophobicContact CD1-CE1 4.25Å; I207-F297 HydrophobicContact CG2-CE1 4.41Å; L250-F297 HydrophobicContact CD2-CE1 4.18Å; L250-F297 HydrophobicContact CD2-CZ 3.6Å; I252-F297 HydrophobicContact CD1-CD1 3.76Å; I252-F297 HydrophobicContact CD1-CD2 3.78Å; I252-F297 HydrophobicContact CD1-CE1 3.42Å; I252-F297 VanDerWaalsContact CD1-CE1 3.42Å; I252-F297 HydrophobicContact CD1-CE2 3.45Å; I252-F297 VanDerWaalsContact CD1-CE2 3.45Å; I252-F297 HydrophobicContact CD1-CG 3.96Å; I252-F297 HydrophobicContact CD1-CZ 3.29Å; F293-F297 HydrophobicContact CE1-CB 4.43Å; F293-F297 HydrophobicContact CZ-CB 4.48Å; F293-F297 VanDerWaalsContact O-CB 3.32Å; F293-F297 WeakPolarHBondContact O-CB 3.45Å; F293-F297 PolarHBondContact O-N 2.91Å; A295-F297 PolarHBondContact O-N 3.1Å; F297-A299 VanDerWaalsContact C-N 3.34Å; F297-A299 PolarHBondContact O-N 2.89Å; F297-D300 PolarHBondContact O-N 3.15Å; F297-Y301 HydrophobicContact CE1-CD1 4.48Å; F297-Y301 HydrophobicContact CE1-CD2 4.32Å; F297-Y301 HydrophobicContact CE1-CG 4.01Å; F297-Y301 HydrophobicContact CE2-CD2 4.29Å; F297-Y301 AromaticContact CZ-CD2 3.64Å; F297-Y301 HydrophobicContact CZ-CD2 3.64Å; F297-Y301 HydrophobicContact CZ-CE2 4.27Å; F297-Y301 AromaticContact CZ-CG 3.79Å; F297-Y301 HydrophobicContact CZ-CG 3.79Å; F297-Y301 VanDerWaalsContact O-CB 3.26Å; F297-Y301 WeakPolarHBondContact O-CB 3.41Å; F297-Y301 PolarHBondContact O-N 2.85Å; F297-M307 HydrophobicContact CE2-SD 3.81Å; F297-M307 HydrophobicContact CZ-SD 4.18Å; F297-S310 WeakPolarHBondContact CA-O 2.99Å; F297-L311 HydrophobicContact CD2-CD2 4.03Å; F297-L311 HydrophobicContact CD2-CG 4.39Å; F297-L311 HydrophobicContact CE2-CD2 4.17Å; F297-L311 HydrophobicContact CE2-CG 4.37Å
298	I	98.5	Very high	97.5	Very high	3 Å²	3	33 Å²	33	2%	0.015	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-44.3	-176.3	-69.6	168.1	0	0	0	110.3	I62 V152 Y154 C182 I209 A294 A295 D300 Y301 I302	I62-I298 HydrophobicContact CD1-CB 4.16Å; I62-I298 HydrophobicContact CD1-CG2 3.87Å; V152-I298 HydrophobicContact CG1-CG2 4.47Å; Y154-I298 HydrophobicContact CD2-CD1 3.33Å; Y154-I298 HydrophobicContact CE2-CD1 3.8Å; Y154-I298 HydrophobicContact CG-CD1 4.07Å; C182-I298 HydrophobicContact CB-CD1 4.21Å; I209-I298 HydrophobicContact CD1-CD1 4.32Å; A294-I298 VanDerWaalsContact O-CB 3.23Å; A294-I298 WeakPolarHBondContact O-CB 3.43Å; A294-I298 WeakPolarHBondContact O-CD1 3.44Å; A294-I298 WeakPolarHBondContact O-CG1 3.31Å; A294-I298 PolarHBondContact O-N 3.44Å; A295-I298 PolarHBondContact O-N 2.9Å; I298-D300 VanDerWaalsContact C-N 3.27Å; I298-D300 PolarHBondContact O-N 2.87Å; I298-Y301 PolarHBondContact O-N 3.32Å; I298-I302 HydrophobicContact CG2-CG2 3.9Å; I298-I302 VanDerWaalsContact O-CG1 3.29Å; I298-I302 WeakPolarHBondContact O-CG1 3.3Å; I298-I302 VanDerWaalsContact O-CG2 3.26Å; I298-I302 WeakPolarHBondContact O-CG2 3.46Å; I298-I302 PolarHBondContact O-N 3.41Å
299	A	98	Very high	97.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-38.6	-177.9	0	0	0	0	0	112.8	I62 I65 A295 F297 R303	I62-A299 HydrophobicContact CG2-CB 4.42Å; I65-A299 HydrophobicContact CB-CB 4.19Å; I65-A299 HydrophobicContact CD1-CB 4.32Å; I65-A299 HydrophobicContact CG2-CB 3.61Å; A295-A299 WeakPolarHBondContact O-CB 3.42Å; A295-A299 PolarHBondContact O-N 2.79Å; F297-A299 VanDerWaalsContact C-N 3.34Å; F297-A299 PolarHBondContact O-N 2.89Å; A299-R303 WeakPolarHBondContact O-CG 3.49Å; A299-R303 PolarHBondContact O-NE 3.08Å
300	D	97.8	Very high	97.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-81.9	-41.4	176.6	-88.2	10.3	0	0	0	112.7	G296 F297 I298 I302 R303 K305 S313	G296-D300 PolarHBondContact O-N 3.44Å; F297-D300 PolarHBondContact O-N 3.15Å; I298-D300 VanDerWaalsContact C-N 3.27Å; I298-D300 PolarHBondContact O-N 2.87Å; D300-I302 VanDerWaalsContact C-N 3.35Å; D300-I302 PolarHBondContact O-N 3.46Å; D300-R303 CarbonylContact O-C 3.54Å; D300-R303 WeakPolarHBondContact O-CA 3.33Å; D300-R303 PolarHBondContact O-N 2.89Å; D300-R303 IonicContact OD1-CZ 3.5Å; D300-R303 IonicContact OD1-NE 3.34Å; D300-R303 IonicContact OD1-NH2 2.57Å; D300-R303 PolarHBondContact OD1-NH2 2.89Å; D300-K305 HydrophobicContact CB-CB 4.03Å; D300-K305 HydrophobicContact CB-CG 4.01Å; D300-K305 WeakPolarHBondContact O-CB 3.38Å; D300-K305 WeakPolarHBondContact O-CG 3.49Å; D300-K305 PolarHBondContact O-N 3.31Å; D300-S313 WeakPolarHBondContact OD2-CB 3.36Å; D300-S313 PolarHBondContact OD2-OG 2.81Å
301	Y	97.7	Very high	97.8	Very high	56 Å²	56	32.7 Å²	32.7	22%	0.22	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-43.3	-178.4	-170.9	-99.8	0	0	0	112.1	I207 L250 F297 I298 R303 N304 M307 S310	I207-Y301 HydrophobicContact CD1-CD1 3.6Å; I207-Y301 HydrophobicContact CD1-CE1 3.56Å; I207-Y301 HydrophobicContact CG1-CE1 4.46Å; L250-Y301 HydrophobicContact CD2-CE2 4.23Å; F297-Y301 HydrophobicContact CE1-CD1 4.48Å; F297-Y301 HydrophobicContact CE1-CD2 4.32Å; F297-Y301 HydrophobicContact CE1-CG 4.01Å; F297-Y301 HydrophobicContact CE2-CD2 4.29Å; F297-Y301 AromaticContact CZ-CD2 3.64Å; F297-Y301 HydrophobicContact CZ-CD2 3.64Å; F297-Y301 HydrophobicContact CZ-CE2 4.27Å; F297-Y301 AromaticContact CZ-CG 3.79Å; F297-Y301 HydrophobicContact CZ-CG 3.79Å; F297-Y301 VanDerWaalsContact O-CB 3.26Å; F297-Y301 WeakPolarHBondContact O-CB 3.41Å; F297-Y301 PolarHBondContact O-N 2.85Å; I298-Y301 PolarHBondContact O-N 3.32Å; Y301-R303 PolarHBondContact O-N 3.2Å; Y301-N304 PolarHBondContact O-N 3Å; Y301-M307 HydrophobicContact CE2-CE 3.95Å; Y301-S310 WeakPolarHBondContact CA-OG 3.37Å; Y301-S310 PolarHBondContact N-OG 3.42Å
302	I	95.8	Very high	97.7	Very high	57 Å²	57	35 Å²	35	29%	0.292	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.8	178.5	72.1	-179.2	0	0	0	113.1	I66 V152 L180 I298 D300 N304	I66-I302 HydrophobicContact CD1-CD1 4.47Å; V152-I302 HydrophobicContact CB-CG2 4.45Å; V152-I302 HydrophobicContact CG1-CG2 4.03Å; V152-I302 HydrophobicContact CG2-CB 4.24Å; V152-I302 HydrophobicContact CG2-CG2 3.73Å; L180-I302 HydrophobicContact CD2-CG2 3.99Å; I298-I302 HydrophobicContact CG2-CG2 3.9Å; I298-I302 VanDerWaalsContact O-CG1 3.29Å; I298-I302 WeakPolarHBondContact O-CG1 3.3Å; I298-I302 VanDerWaalsContact O-CG2 3.26Å; I298-I302 WeakPolarHBondContact O-CG2 3.46Å; I298-I302 PolarHBondContact O-N 3.41Å; D300-I302 VanDerWaalsContact C-N 3.35Å; D300-I302 PolarHBondContact O-N 3.46Å; I302-N304 VanDerWaalsContact C-N 3.3Å
303	R	95.3	Very high	97.7	Very high	68 Å²	68	35.4 Å²	35.4	26%	0.257	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	16.2	173	-67.3	-176.5	-70.8	-178.9	-5.8	112.1	A299 D300 Y301 K305 L341	A299-R303 WeakPolarHBondContact O-CG 3.49Å; A299-R303 PolarHBondContact O-NE 3.08Å; D300-R303 CarbonylContact O-C 3.54Å; D300-R303 WeakPolarHBondContact O-CA 3.33Å; D300-R303 PolarHBondContact O-N 2.89Å; D300-R303 IonicContact OD1-CZ 3.5Å; D300-R303 IonicContact OD1-NE 3.34Å; D300-R303 IonicContact OD1-NH2 2.57Å; D300-R303 PolarHBondContact OD1-NH2 2.89Å; Y301-R303 PolarHBondContact O-N 3.2Å; R303-K305 PolarHBondContact O-N 3.25Å; R303-L341 VanDerWaalsContact NH1-CD2 3.28Å
304	N	96	Very high	97.7	Very high	152 Å²	152	35.1 Å²	35.1	81%	0.813	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	30.1	179.9	-57	-53.2	0	0	0	113.8	Y301 I302	Y301-N304 PolarHBondContact O-N 3Å; I302-N304 VanDerWaalsContact C-N 3.3Å
305	K	97.5	Very high	97.6	Very high	60 Å²	60	35.6 Å²	35.6	26%	0.261	18%	0.182	S	C	.	.			trans	-71.2	150.8	170.4	-60.6	-63.9	-175.6	175.8	0	109.9	D300 R303 T309 L341	D300-K305 HydrophobicContact CB-CB 4.03Å; D300-K305 HydrophobicContact CB-CG 4.01Å; D300-K305 WeakPolarHBondContact O-CB 3.38Å; D300-K305 WeakPolarHBondContact O-CG 3.49Å; D300-K305 PolarHBondContact O-N 3.31Å; R303-K305 PolarHBondContact O-N 3.25Å; K305-T309 HydrophobicContact CB-CG2 4.22Å; K305-L341 PolarHBondContact NZ-OXT 3.25Å
306	P	97.7	Very high	97.5	Very high	84 Å²	84	40 Å²	40	55%	0.545	20%	0.201	S	C	.	.			trans	-58.6	151.5	177.6	-24.3	34.2	0	0	0	112.7	I308 T309 S310	P306-I308 VanDerWaalsContact C-N 3.31Å; P306-I308 PolarHBondContact O-N 2.99Å; P306-T309 WeakPolarHBondContact O-CA 3.5Å; P306-T309 WeakPolarHBondContact O-CB 3.39Å; P306-T309 PolarHBondContact O-N 3.09Å; P306-S310 PolarHBondContact O-N 3.1Å; P306-S310 PolarHBondContact O-OG 2.97Å
307	M	97.1	Very high	97.5	Very high	42 Å²	42	39.9 Å²	39.9	21%	0.207	20%	0.2	C	C	.	.	H	α-helix	trans	-47.1	-51.7	-178.9	-178	55.7	71.7	0	0	113	L250 Y262 F297 Y301 T309 S310 L311	L250-M307 HydrophobicContact CD1-CE 3.66Å; L250-M307 HydrophobicContact CD1-SD 4.49Å; L250-M307 HydrophobicContact CD2-CE 3.44Å; L250-M307 VanDerWaalsContact CD2-CE 3.44Å; L250-M307 HydrophobicContact CD2-SD 4.21Å; L250-M307 HydrophobicContact CG-CE 4.19Å; Y262-M307 HydrophobicContact CD2-CG 4.3Å; Y262-M307 HydrophobicContact CE2-CG 3.91Å; F297-M307 HydrophobicContact CE2-SD 3.81Å; F297-M307 HydrophobicContact CZ-SD 4.18Å; Y301-M307 HydrophobicContact CE2-CE 3.95Å; M307-T309 VanDerWaalsContact C-N 3.31Å; M307-T309 PolarHBondContact O-N 2.87Å; M307-S310 PolarHBondContact O-N 2.81Å; M307-L311 HydrophobicContact CG-CD1 4.06Å; M307-L311 WeakPolarHBondContact O-CG 3.2Å; M307-L311 PolarHBondContact O-N 3.24Å; M307-L311 HydrophobicContact SD-CD1 4.3Å; M307-L311 HydrophobicContact SD-CG 4.26Å
308	I	97.6	Very high	97.4	Very high	83 Å²	83	40.5 Å²	40.5	43%	0.426	21%	0.205	S	C	.	.	H	α-helix	trans	-62.3	-38.4	-178.9	-59.7	-55.8	0	0	0	111.7	Y273 P306 L311 Q312	Y273-I308 HydrophobicContact CD2-CD1 4.13Å; Y273-I308 HydrophobicContact CD2-CG2 4.28Å; Y273-I308 HydrophobicContact CE2-CG2 3.81Å; P306-I308 VanDerWaalsContact C-N 3.31Å; P306-I308 PolarHBondContact O-N 2.99Å; I308-L311 HydrophobicContact CD1-CD1 4.41Å; I308-L311 PolarHBondContact O-N 3.43Å; I308-Q312 WeakPolarHBondContact O-CB 3.47Å; I308-Q312 PolarHBondContact O-N 2.64Å
309	T	97.8	Very high	97.3	Very high	52 Å²	52	41 Å²	41	32%	0.319	21%	0.209	S	C	.	.	H	α-helix	trans	-65.7	-43.4	175.5	-55.3	0	0	0	0	111.2	K305 P306 M307 Q312 S313	K305-T309 HydrophobicContact CB-CG2 4.22Å; P306-T309 WeakPolarHBondContact O-CA 3.5Å; P306-T309 WeakPolarHBondContact O-CB 3.39Å; P306-T309 PolarHBondContact O-N 3.09Å; M307-T309 VanDerWaalsContact C-N 3.31Å; M307-T309 PolarHBondContact O-N 2.87Å; T309-Q312 PolarHBondContact O-N 2.76Å; T309-S313 PolarHBondContact O-N 3.06Å; T309-S313 PolarHBondContact O-OG 2.84Å
310	S	98.3	Very high	97.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-43.4	176.4	-60.8	0	0	0	0	112.1	F297 Y301 P306 M307 S313 G314	F297-S310 WeakPolarHBondContact CA-O 2.99Å; Y301-S310 WeakPolarHBondContact CA-OG 3.37Å; Y301-S310 PolarHBondContact N-OG 3.42Å; P306-S310 PolarHBondContact O-N 3.1Å; P306-S310 PolarHBondContact O-OG 2.97Å; M307-S310 PolarHBondContact O-N 2.81Å; S310-S313 PolarHBondContact O-N 3.38Å; S310-G314 PolarHBondContact O-N 3.37Å
311	L	98.3	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-44.7	175	-70.5	171.4	0	0	0	111.3	I252 I260 Y262 Y273 F293 F297 M307 I308 S313 G314 V315	I252-L311 HydrophobicContact CD1-CD2 4.3Å; I252-L311 HydrophobicContact CG2-CD2 4.16Å; I260-L311 HydrophobicContact CG2-CD2 4.1Å; Y262-L311 HydrophobicContact CD1-CD1 3.65Å; Y262-L311 HydrophobicContact CE1-CD1 3.6Å; Y262-L311 HydrophobicContact CG-CD1 4.31Å; Y273-L311 HydrophobicContact CD1-CB 4.17Å; Y273-L311 HydrophobicContact CD2-CB 4.42Å; Y273-L311 HydrophobicContact CD2-CD1 4.39Å; Y273-L311 HydrophobicContact CE1-CB 4.43Å; Y273-L311 HydrophobicContact CG-CB 4.15Å; Y273-L311 HydrophobicContact CG-CD1 4.11Å; F293-L311 HydrophobicContact CZ-CD2 3.99Å; F297-L311 HydrophobicContact CD2-CD2 4.03Å; F297-L311 HydrophobicContact CD2-CG 4.39Å; F297-L311 HydrophobicContact CE2-CD2 4.17Å; F297-L311 HydrophobicContact CE2-CG 4.37Å; M307-L311 HydrophobicContact CG-CD1 4.06Å; M307-L311 WeakPolarHBondContact O-CG 3.2Å; M307-L311 PolarHBondContact O-N 3.24Å; M307-L311 HydrophobicContact SD-CD1 4.3Å; M307-L311 HydrophobicContact SD-CG 4.26Å; I308-L311 HydrophobicContact CD1-CD1 4.41Å; I308-L311 PolarHBondContact O-N 3.43Å; L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 3.2Å; L311-G314 PolarHBondContact O-N 3.49Å; L311-V315 WeakPolarHBondContact O-CG2 3.21Å; L311-V315 PolarHBondContact O-N 3.13Å
312	Q	97.8	Very high	97	Very high	70 Å²	70	39.8 Å²	39.8	33%	0.327	21%	0.206	S	C	.	.	H	α-helix	trans	-59.6	-41.2	175.6	-170	-176.5	19.2	0	0	111.9	Y273 I308 T309 V315 K316	Y273-Q312 WeakPolarHBondContact OH-CB 3.28Å; I308-Q312 WeakPolarHBondContact O-CB 3.47Å; I308-Q312 PolarHBondContact O-N 2.64Å; T309-Q312 PolarHBondContact O-N 2.76Å; Q312-V315 PolarHBondContact O-N 3.49Å; Q312-K316 HydrophobicContact CG-CD 4.45Å; Q312-K316 WeakPolarHBondContact O-CG 3.33Å; Q312-K316 PolarHBondContact O-N 2.73Å
313	S	97.8	Very high	97	Very high	8 Å²	8	41.8 Å²	41.8	6%	0.056	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-36.4	176.6	-74.4	0	0	0	0	112.7	G296 D300 T309 S310 L311 K316 A317	G296-S313 WeakPolarHBondContact O-CB 3.35Å; D300-S313 WeakPolarHBondContact OD2-CB 3.36Å; D300-S313 PolarHBondContact OD2-OG 2.81Å; T309-S313 PolarHBondContact O-N 3.06Å; T309-S313 PolarHBondContact O-OG 2.84Å; S310-S313 PolarHBondContact O-N 3.38Å; L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 3.2Å; S313-K316 PolarHBondContact O-N 3.01Å; S313-A317 VanDerWaalsContact O-CB 3.29Å; S313-A317 WeakPolarHBondContact O-CB 3.43Å; S313-A317 PolarHBondContact O-N 3.01Å
314	G	98.1	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-49.5	168.8	0	0	0	0	0	111.9	F293 S310 L311 K316 A317 A318	F293-G314 WeakPolarHBondContact CA-O 3.35Å; F293-G314 WeakPolarHBondContact O-CA 3.09Å; S310-G314 PolarHBondContact O-N 3.37Å; L311-G314 PolarHBondContact O-N 3.49Å; G314-K316 PolarHBondContact O-N 3.1Å; G314-A317 WeakPolarHBondContact O-CB 3.26Å; G314-A317 PolarHBondContact O-N 3.18Å; G314-A318 PolarHBondContact O-N 3.39Å
315	V	97.7	Very high	96.7	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.067	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-45.1	177.6	170	0	0	0	0	111.7	I260 Y273 V275 F293 L311 Q312 A317 A318 A319	I260-V315 HydrophobicContact CD1-CG2 3.56Å; Y273-V315 HydrophobicContact CD1-CG2 4.45Å; Y273-V315 HydrophobicContact CE1-CG2 4.02Å; V275-V315 HydrophobicContact CG1-CG1 3.8Å; V275-V315 HydrophobicContact CG1-CG2 4.13Å; V275-V315 HydrophobicContact CG2-CG2 4.19Å; F293-V315 HydrophobicContact CE2-CG2 4.37Å; L311-V315 WeakPolarHBondContact O-CG2 3.21Å; L311-V315 PolarHBondContact O-N 3.13Å; Q312-V315 PolarHBondContact O-N 3.49Å; V315-A317 VanDerWaalsContact C-N 3.3Å; V315-A317 PolarHBondContact O-N 3.42Å; V315-A318 PolarHBondContact O-N 3.22Å; V315-A319 WeakPolarHBondContact O-CB 3.35Å; V315-A319 PolarHBondContact O-N 2.9Å
316	K	96.6	Very high	96.5	Very high	91 Å²	91	33.5 Å²	33.5	40%	0.396	17%	0.171	S	C	.	.	H	α-helix	trans	-60.4	-40.5	176.4	-75.6	174.8	179.5	171.8	0	112.1	Q312 S313 G314 A319 Y320 F337	Q312-K316 HydrophobicContact CG-CD 4.45Å; Q312-K316 WeakPolarHBondContact O-CG 3.33Å; Q312-K316 PolarHBondContact O-N 2.73Å; S313-K316 PolarHBondContact O-N 3.01Å; G314-K316 PolarHBondContact O-N 3.1Å; K316-A319 PolarHBondContact O-N 2.79Å; K316-Y320 WeakPolarHBondContact O-CB 3.29Å; K316-Y320 PolarHBondContact O-N 2.71Å; K316-F337 HydrophobicContact CB-CZ 4.25Å; K316-F337 WeakPolarHBondContact O-CZ 3.21Å
317	A	97.4	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-46.3	177.5	0	0	0	0	0	112	M61 S292 S313 G314 V315 Y320 I321	M61-A317 HydrophobicContact CE-CB 3.38Å; M61-A317 HydrophobicContact SD-CB 3.84Å; S292-A317 WeakPolarHBondContact CB-O 3.43Å; S292-A317 WeakPolarHBondContact O-CB 3.23Å; S313-A317 VanDerWaalsContact O-CB 3.29Å; S313-A317 WeakPolarHBondContact O-CB 3.43Å; S313-A317 PolarHBondContact O-N 3.01Å; G314-A317 WeakPolarHBondContact O-CB 3.26Å; G314-A317 PolarHBondContact O-N 3.18Å; V315-A317 VanDerWaalsContact C-N 3.3Å; V315-A317 PolarHBondContact O-N 3.42Å; A317-Y320 WeakPolarHBondContact O-CB 3.27Å; A317-Y320 PolarHBondContact O-N 2.79Å; A317-I321 PolarHBondContact O-N 3.16Å
318	A	97.1	Very high	96.3	Very high	13 Å²	13	30.2 Å²	30.2	11%	0.107	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-49.5	172.7	0	0	0	0	0	111.3	F293 G314 V315 Y320 I321 I322	F293-A318 HydrophobicContact CB-CB 4.25Å; G314-A318 PolarHBondContact O-N 3.39Å; V315-A318 PolarHBondContact O-N 3.22Å; A318-Y320 PolarHBondContact O-N 2.53Å; A318-I321 PolarHBondContact O-N 3.22Å; A318-I321 VanDerWaalsContact O-N 3.08Å; A318-I322 HydrophobicContact CB-CD1 4.43Å; A318-I322 VanDerWaalsContact O-CG1 3.24Å; A318-I322 WeakPolarHBondContact O-CG1 3.47Å; A318-I322 PolarHBondContact O-N 3.06Å
319	A	96	Very high	96.1	Very high	12 Å²	12	27.9 Å²	27.9	10%	0.099	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-25.8	178.2	0	0	0	0	0	113.7	L278 V315 K316 R323	L278-A319 HydrophobicContact CD1-CB 4.09Å; L278-A319 HydrophobicContact CD2-CB 4.07Å; L278-A319 HydrophobicContact CG-CB 4.33Å; V315-A319 WeakPolarHBondContact O-CB 3.35Å; V315-A319 PolarHBondContact O-N 2.9Å; K316-A319 PolarHBondContact O-N 2.79Å; A319-R323 VanDerWaalsContact O-CG 3.31Å; A319-R323 WeakPolarHBondContact O-CG 3.22Å; A319-R323 PolarHBondContact O-NH1 3.37Å
320	Y	95.9	Very high	95.6	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-71.3	-46.1	173.3	176.1	-85.4	0	0	0	111.5	M61 W64 K316 A317 A318 R324 L329 G330 F337	M61-Y320 HydrophobicContact CE-CD1 4.19Å; W64-Y320 HydrophobicContact CH2-CD2 4.29Å; W64-Y320 HydrophobicContact CH2-CE1 4.29Å; W64-Y320 AromaticContact CH2-CE2 3.71Å; W64-Y320 HydrophobicContact CH2-CE2 3.71Å; W64-Y320 AromaticContact CH2-CZ 3.75Å; W64-Y320 HydrophobicContact CZ2-CE2 4.12Å; W64-Y320 AromaticContact CZ2-CZ 3.84Å; K316-Y320 WeakPolarHBondContact O-CB 3.29Å; K316-Y320 PolarHBondContact O-N 2.71Å; A317-Y320 WeakPolarHBondContact O-CB 3.27Å; A317-Y320 PolarHBondContact O-N 2.79Å; A318-Y320 PolarHBondContact O-N 2.53Å; Y320-R324 VanDerWaalsContact CD1-NH1 3.34Å; Y320-R324 VanDerWaalsContact CE1-NH1 3.27Å; Y320-R324 PolarHBondContact O-NH1 3.05Å; Y320-R324 PolarHBondContact OH-NE 3.33Å; Y320-R324 PolarHBondContact OH-NH2 3.36Å; Y320-R324 VanDerWaalsContact OH-NH2 3.16Å; Y320-L329 HydrophobicContact CE1-CD2 4.1Å; Y320-G330 PolarHBondContact OH-N 2.74Å; Y320-F337 AromaticContact CD2-CD2 3.62Å; Y320-F337 HydrophobicContact CD2-CD2 3.62Å; Y320-F337 AromaticContact CD2-CE2 3.28Å; Y320-F337 HydrophobicContact CD2-CE2 3.28Å; Y320-F337 HydrophobicContact CD2-CZ 4.15Å; Y320-F337 HydrophobicContact CE2-CD2 4.15Å; Y320-F337 HydrophobicContact CE2-CE2 4.22Å; Y320-F337 HydrophobicContact CG-CD2 4.39Å; Y320-F337 AromaticContact CG-CE2 3.67Å; Y320-F337 HydrophobicContact CG-CE2 3.67Å; Y320-F337 HydrophobicContact CG-CZ 4.12Å
321	I	95.9	Very high	94.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-72.1	-37.2	179	-74	-53.1	0	0	0	111.4	N287 S292 A317 A318 R323 R324 F327 S328 L329	N287-I321 WeakPolarHBondContact O-CG2 3.24Å; S292-I321 WeakPolarHBondContact OG-CB 3.21Å; S292-I321 WeakPolarHBondContact OG-CG1 3.4Å; A317-I321 PolarHBondContact O-N 3.16Å; A318-I321 PolarHBondContact O-N 3.22Å; A318-I321 VanDerWaalsContact O-N 3.08Å; I321-R323 PolarHBondContact O-N 2.98Å; I321-R323 VanDerWaalsContact O-N 3.13Å; I321-R324 CarbonylContact O-C 3.54Å; I321-R324 WeakPolarHBondContact O-CA 3.31Å; I321-R324 WeakPolarHBondContact O-CB 3.42Å; I321-R324 PolarHBondContact O-N 2.9Å; I321-R324 VanDerWaalsContact O-O 3.06Å; I321-F327 HydrophobicContact CD1-CD2 4.3Å; I321-F327 HydrophobicContact CD1-CG 4.48Å; I321-F327 HydrophobicContact CG1-CD2 4.05Å; I321-F327 HydrophobicContact CG1-CE2 4.09Å; I321-F327 HydrophobicContact CG2-CD2 4.31Å; I321-S328 VanDerWaalsContact CD1-O 3.27Å; I321-S328 WeakPolarHBondContact CD1-O 3.38Å; I321-L329 HydrophobicContact CD1-CD2 4.1Å
322	I	95.2	Very high	93.3	Very high	25 Å²	25	35.9 Å²	35.9	13%	0.128	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-28.5	179.4	-67.3	164.6	0	0	0	112.8	L278 M283 V284 D285 A289 A318 R324	L278-I322 HydrophobicContact CD1-CB 4.01Å; L278-I322 HydrophobicContact CD1-CG2 3.75Å; M283-I322 HydrophobicContact CB-CG2 3.97Å; M283-I322 HydrophobicContact CE-CG2 4.05Å; M283-I322 HydrophobicContact CG-CG2 3.74Å; V284-I322 PolarHBondContact N-O 3.41Å; D285-I322 PolarHBondContact N-O 3.14Å; D285-I322 VanDerWaalsContact O-CA 3.25Å; D285-I322 WeakPolarHBondContact O-CA 3.5Å; A289-I322 HydrophobicContact CB-CD1 3.98Å; A289-I322 HydrophobicContact CB-CG1 3.82Å; A318-I322 HydrophobicContact CB-CD1 4.43Å; A318-I322 VanDerWaalsContact O-CG1 3.24Å; A318-I322 WeakPolarHBondContact O-CG1 3.47Å; A318-I322 PolarHBondContact O-N 3.06Å; I322-R324 PolarHBondContact O-N 2.87Å
323	R	95.3	Very high	91.3	Very high	99 Å²	99	41.8 Å²	41.8	37%	0.374	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	5.3	175.1	-68.9	-179.3	177.1	101.7	-10.9	113.8	L278 E282 V284 A319 I321	L278-R323 HydrophobicContact CD1-CG 4.35Å; E282-R323 HydrophobicContact CB-CG 4.36Å; E282-R323 WeakPolarHBondContact O-CA 3.15Å; E282-R323 WeakPolarHBondContact O-CG 3.39Å; E282-R323 IonicContact OE1-CZ 3.2Å; E282-R323 IonicContact OE1-NE 3.58Å; E282-R323 PolarHBondContact OE1-NE 3.47Å; E282-R323 VanDerWaalsContact OE1-NE 3.08Å; E282-R323 IonicContact OE1-NH2 3.4Å; E282-R323 PolarHBondContact OE1-NH2 3.21Å; E282-R323 IonicContact OE2-NH2 2.61Å; V284-R323 WeakPolarHBondContact CG2-O 3.33Å; A319-R323 VanDerWaalsContact O-CG 3.31Å; A319-R323 WeakPolarHBondContact O-CG 3.22Å; A319-R323 PolarHBondContact O-NH1 3.37Å; I321-R323 PolarHBondContact O-N 2.98Å; I321-R323 VanDerWaalsContact O-N 3.13Å
324	R	93.9	Very high	88.9	Confident	72 Å²	72	43.7 Å²	43.7	27%	0.272	23%	0.228	S	C	.	.	S	Bend	trans	-131.8	159.7	-175.6	-67.7	-179.6	173.8	75.6	1.8	109.6	Y320 I321 I322 G326 S328	Y320-R324 VanDerWaalsContact CD1-NH1 3.34Å; Y320-R324 VanDerWaalsContact CE1-NH1 3.27Å; Y320-R324 PolarHBondContact O-NH1 3.05Å; Y320-R324 PolarHBondContact OH-NE 3.33Å; Y320-R324 PolarHBondContact OH-NH2 3.36Å; Y320-R324 VanDerWaalsContact OH-NH2 3.16Å; I321-R324 CarbonylContact O-C 3.54Å; I321-R324 WeakPolarHBondContact O-CA 3.31Å; I321-R324 WeakPolarHBondContact O-CB 3.42Å; I321-R324 PolarHBondContact O-N 2.9Å; I321-R324 VanDerWaalsContact O-O 3.06Å; I322-R324 PolarHBondContact O-N 2.87Å; R324-G326 PolarHBondContact O-N 3.23Å; R324-S328 WeakPolarHBondContact CD-O 3.49Å
325	S	92	Very high	86.2	Confident	34 Å²	34	48.7 Å²	48.7	24%	0.238	26%	0.263	C	S	.	.	S	Bend	trans	-82.9	116.7	175.3	-169.3	0	0	0	0	110.2	K48 D285	K48-S325 WeakPolarHBondContact CD-OG 3.23Å; K48-S325 VanDerWaalsContact NZ-CB 3.3Å; K48-S325 PolarHBondContact NZ-OG 3.32Å; D285-S325 WeakPolarHBondContact OD2-CA 3.4Å; D285-S325 PolarHBondContact OD2-OG 3.23Å
326	G	93.4	Very high	83.7	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	61	-171.7	-174.4	0	0	0	0	0	114.6	D285 R324 S328	D285-G326 PolarHBondContact OD1-N 3.32Å; D285-G326 PolarHBondContact OD2-N 3.14Å; R324-G326 PolarHBondContact O-N 3.23Å; G326-S328 VanDerWaalsContact C-N 3.34Å; G326-S328 PolarHBondContact O-N 3.05Å
327	F	95.7	Very high	81.3	Confident	5 Å²	5	48.7 Å²	48.7	2%	0.022	28%	0.277	C	S	.	.	S	Bend	trans	-75.6	86	176.3	-162.5	-85.5	0	0	0	111.5	N57 K60 M61 D291 S292 I321 L329	N57-F327 VanDerWaalsContact C-CZ 3.4Å; N57-F327 HydrophobicContact CB-CD1 3.97Å; N57-F327 HydrophobicContact CB-CD2 3.65Å; N57-F327 HydrophobicContact CB-CE1 3.96Å; N57-F327 HydrophobicContact CB-CE2 3.61Å; N57-F327 HydrophobicContact CB-CG 3.8Å; N57-F327 HydrophobicContact CB-CZ 3.75Å; N57-F327 VanDerWaalsContact CG-CG 3.44Å; N57-F327 WeakPolarHBondContact O-CE1 3.23Å; N57-F327 WeakPolarHBondContact O-CZ 3.26Å; N57-F327 WeakPolarHBondContact OD1-CD1 3.24Å; N57-F327 WeakPolarHBondContact OD1-CG 3.5Å; K60-F327 HydrophobicContact CB-CE1 4.26Å; M61-F327 HydrophobicContact CB-CE1 4.38Å; M61-F327 HydrophobicContact CB-CZ 3.61Å; M61-F327 HydrophobicContact SD-CZ 4.36Å; D291-F327 HydrophobicContact CB-CE2 4.18Å; S292-F327 VanDerWaalsContact OG-CE2 3.23Å; S292-F327 WeakPolarHBondContact OG-CE2 3.24Å; I321-F327 HydrophobicContact CD1-CD2 4.3Å; I321-F327 HydrophobicContact CD1-CG 4.48Å; I321-F327 HydrophobicContact CG1-CD2 4.05Å; I321-F327 HydrophobicContact CG1-CE2 4.09Å; I321-F327 HydrophobicContact CG2-CD2 4.31Å; F327-L329 HydrophobicContact CE1-CD1 3.92Å; F327-L329 HydrophobicContact CE1-CD2 4.22Å; F327-L329 HydrophobicContact CE1-CG 3.92Å; F327-L329 HydrophobicContact CZ-CD2 4.44Å
328	S	93.6	Very high	78.4	Confident	53 Å²	53	56.8 Å²	56.8	37%	0.371	31%	0.312	S	S	.	.			trans	-119.6	120.1	-179	-171.8	0	0	0	0	112	I321 R324 G326	I321-S328 VanDerWaalsContact CD1-O 3.27Å; I321-S328 WeakPolarHBondContact CD1-O 3.38Å; R324-S328 WeakPolarHBondContact CD-O 3.49Å; G326-S328 VanDerWaalsContact C-N 3.34Å; G326-S328 PolarHBondContact O-N 3.05Å
329	L	94.2	Very high	75.9	Confident	34 Å²	34	57.8 Å²	57.8	18%	0.178	32%	0.315	C	S	.	.			trans	-99.1	123	175.9	-60.4	176.1	0	0	0	109.2	K60 M61 W64 L94 Y320 I321 F327	K60-L329 HydrophobicContact CB-CD1 4.03Å; M61-L329 HydrophobicContact CB-CD1 4.31Å; M61-L329 HydrophobicContact CB-CD2 4.26Å; M61-L329 HydrophobicContact CG-CD2 4.34Å; M61-L329 HydrophobicContact SD-CD2 4.49Å; W64-L329 HydrophobicContact CB-CD1 3.88Å; W64-L329 HydrophobicContact CD2-CD2 4.26Å; W64-L329 HydrophobicContact CE3-CD2 4.43Å; W64-L329 HydrophobicContact CG-CB 4.41Å; W64-L329 HydrophobicContact CG-CD1 4.09Å; W64-L329 HydrophobicContact CG-CD2 4.43Å; L94-L329 HydrophobicContact CD1-CD1 3.98Å; Y320-L329 HydrophobicContact CE1-CD2 4.1Å; I321-L329 HydrophobicContact CD1-CD2 4.1Å; F327-L329 HydrophobicContact CE1-CD1 3.92Å; F327-L329 HydrophobicContact CE1-CD2 4.22Å; F327-L329 HydrophobicContact CE1-CG 3.92Å; F327-L329 HydrophobicContact CZ-CD2 4.44Å
330	G	87.4	Confident	73.1	Confident	31 Å²	31	64 Å²	64	32%	0.32	35%	0.347	S	S	.	.			trans	-91.8	-177.3	178.1	0	0	0	0	0	111.2	W64 Y320 R332	W64-G330 PolarHBondContact NE1-O 3.45Å; Y320-G330 PolarHBondContact OH-N 2.74Å; G330-R332 PolarHBondContact O-N 3.2Å
331	L	79.7	Confident	70.3	Confident	158 Å²	158	71.6 Å²	71.6	83%	0.827	39%	0.387	S	S	*	.			trans	-63.6	126.8	168.8	-65.8	175.2	0	0	0	109.5	E333	L331-E333 PolarHBondContact O-N 3.29Å
332	R	68.5	Low	69	Low	30 Å²	30	75.2 Å²	75.2	11%	0.113	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.5	-177.6	-174	161.9	163.1	-151.9	-2.9	113.8	W64 I65 Q67 G330 S334 F337	W64-R332 HydrophobicContact CH2-CB 4.44Å; W64-R332 HydrophobicContact CH2-CG 4.15Å; W64-R332 HydrophobicContact CZ2-CB 3.65Å; W64-R332 HydrophobicContact CZ2-CG 3.85Å; W64-R332 WeakPolarHBondContact O-CD 3.49Å; W64-R332 PolarHBondContact O-NH1 3.32Å; I65-R332 PolarHBondContact O-NH1 2.91Å; I65-R332 PolarHBondContact O-NH2 3.47Å; Q67-R332 VanDerWaalsContact NE2-CD 3.34Å; Q67-R332 VanDerWaalsContact OE1-NH1 3.07Å; G330-R332 PolarHBondContact O-N 3.2Å; R332-S334 PolarHBondContact O-N 3.19Å; R332-F337 HydrophobicContact CG-CB 4.39Å
333	E	55.3	Low	67.6	Low	194 Å²	194	77.8 Å²	77.8	91%	0.907	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-6	176.4	-64.7	-159.2	169.7	0	0	114.2	L331 S335	L331-E333 PolarHBondContact O-N 3.29Å; E333-S335 PolarHBondContact O-N 3.23Å
334	S	47.1	Very low	66.1	Low	49 Å²	49	76.7 Å²	76.7	34%	0.343	42%	0.424	S	S	.	.	S	Bend	trans	-64.2	119.4	163.6	63.9	0	0	0	0	110.3	R332 A336 F337	R332-S334 PolarHBondContact O-N 3.19Å; S334-A336 PolarHBondContact O-N 3.06Å; S334-F337 PolarHBondContact O-N 3.11Å
335	S	42	Very low	64.4	Low	105 Å²	105	76.9 Å²	76.9	73%	0.734	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-48.9	-11.5	177.8	48.4	0	0	0	0	115.8	E333 F337	E333-S335 PolarHBondContact O-N 3.23Å; S335-F337 VanDerWaalsContact C-N 3.26Å; S335-F337 PolarHBondContact O-N 3.09Å
336	A	44.9	Very low	62.7	Low	80 Å²	80	79.6 Å²	79.6	66%	0.661	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-63.5	-22	176.6	0	0	0	0	0	114.5	S334	S334-A336 PolarHBondContact O-N 3.06Å
337	F	46.3	Very low	60.7	Low	21 Å²	21	84.9 Å²	84.9	9%	0.092	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-119.1	45	178.4	-95	-100	0	0	0	113.3	W64 K316 Y320 R332 S334 S335 I339	W64-F337 HydrophobicContact CH2-CB 4.09Å; W64-F337 HydrophobicContact CH2-CD1 4.17Å; W64-F337 HydrophobicContact CH2-CD2 4.09Å; W64-F337 AromaticContact CH2-CG 3.83Å; W64-F337 HydrophobicContact CH2-CG 3.83Å; W64-F337 HydrophobicContact CZ3-CB 4.48Å; W64-F337 AromaticContact CZ3-CD1 3.81Å; W64-F337 HydrophobicContact CZ3-CD1 3.81Å; W64-F337 HydrophobicContact CZ3-CD2 4.44Å; W64-F337 HydrophobicContact CZ3-CE1 4.12Å; W64-F337 AromaticContact CZ3-CG 3.97Å; W64-F337 HydrophobicContact CZ3-CG 3.97Å; K316-F337 HydrophobicContact CB-CZ 4.25Å; K316-F337 WeakPolarHBondContact O-CZ 3.21Å; Y320-F337 AromaticContact CD2-CD2 3.62Å; Y320-F337 HydrophobicContact CD2-CD2 3.62Å; Y320-F337 AromaticContact CD2-CE2 3.28Å; Y320-F337 HydrophobicContact CD2-CE2 3.28Å; Y320-F337 HydrophobicContact CD2-CZ 4.15Å; Y320-F337 HydrophobicContact CE2-CD2 4.15Å; Y320-F337 HydrophobicContact CE2-CE2 4.22Å; Y320-F337 HydrophobicContact CG-CD2 4.39Å; Y320-F337 AromaticContact CG-CE2 3.67Å; Y320-F337 HydrophobicContact CG-CE2 3.67Å; Y320-F337 HydrophobicContact CG-CZ 4.12Å; R332-F337 HydrophobicContact CG-CB 4.39Å; S334-F337 PolarHBondContact O-N 3.11Å; S335-F337 VanDerWaalsContact C-N 3.26Å; S335-F337 PolarHBondContact O-N 3.09Å; F337-I339 HydrophobicContact CD1-CD1 4.11Å; F337-I339 HydrophobicContact CD1-CG1 4.29Å; F337-I339 HydrophobicContact CE1-CD1 4.45Å; F337-I339 PolarHBondContact O-N 3.46Å
338	K	37.9	Very low	58.1	Low	171 Å²	171	90.6 Å²	90.6	74%	0.743	51%	0.507	S	S	*	.			trans	-73.9	78.4	155.9	-74.6	-170.2	179.4	-177.9	0	109.1	N340	K338-N340 VanDerWaalsContact C-N 3.33Å; K338-N340 PolarHBondContact O-N 3.33Å; K338-N340 VanDerWaalsContact O-N 3.11Å
339	I	44.6	Very low	55.4	Low	33 Å²	33	93.5 Å²	93.5	17%	0.169	52%	0.517	C	S	.	.			trans	-68.2	102.9	155	-59.3	171.6	0	0	0	104.2	I65 F337 L341	I65-I339 HydrophobicContact CG2-CD1 3.89Å; F337-I339 HydrophobicContact CD1-CD1 4.11Å; F337-I339 HydrophobicContact CD1-CG1 4.29Å; F337-I339 HydrophobicContact CE1-CD1 4.45Å; F337-I339 PolarHBondContact O-N 3.46Å; I339-L341 PolarHBondContact O-N 2.95Å
340	N	37.3	Very low	52.2	Low	142 Å²	142	98.5 Å²	98.5	76%	0.759	55%	0.546	S	S	*	.			trans	-58.7	112.7	172	-74.4	-28	0	0	0	107.1	K338	K338-N340 VanDerWaalsContact C-N 3.33Å; K338-N340 PolarHBondContact O-N 3.33Å; K338-N340 VanDerWaalsContact O-N 3.11Å
341	L	35.5	Very low	49	Very low	168 Å²	168	104.6 Å²	104.6	88%	0.88	57%	0.566	S	S	*	*			trans	-61.8	0	-179.7	-78.4	168.4	0	0	0	111.2	R303 K305 I339	R303-L341 VanDerWaalsContact NH1-CD2 3.28Å; K305-L341 PolarHBondContact NZ-OXT 3.25Å; I339-L341 PolarHBondContact O-N 2.95Å

Retrieved 341 of 341 residues in 514.9 ms (Link to these results)

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