A0A077Z0F2_TRITR Loading...

Metallophos domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0F2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 286 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	35.4	Very low	56.9	Low	243 Å²	243	124.9 Å²	124.9	100%	1.197	63%	0.625	S	S	*	*				0	124.2	0	-96.2	172.4	-130.1	0	0	106.5	D3	M1-D3 PolarHBondContact O-N 2.82Å; M1-D3 VanDerWaalsContact O-N 3.12Å
2	A	39.6	Very low	60.2	Low	91 Å²	91	118 Å²	118	75%	0.752	59%	0.587	S	S	*	*			trans	-60	115.6	-177.9	0	0	0	0	0	108.8	F4	A2-F4 PolarHBondContact O-N 2.94Å
3	D	44.2	Very low	63	Low	127 Å²	127	112.5 Å²	112.5	68%	0.679	56%	0.56	S	S	*	*			trans	-65	84.9	157.8	-156.5	17.8	0	0	0	103.5	M1 D5	M1-D3 PolarHBondContact O-N 2.82Å; M1-D3 VanDerWaalsContact O-N 3.12Å; D3-D5 VanDerWaalsContact C-N 3.35Å; D3-D5 PolarHBondContact O-N 3.12Å
4	F	47	Very low	65.5	Low	181 Å²	181	104.6 Å²	104.6	79%	0.794	52%	0.522	S	S	*	.			trans	-51.4	111	168.4	-128.3	-94.8	0	0	0	103.3	A2 E6	A2-F4 PolarHBondContact O-N 2.94Å; F4-E6 PolarHBondContact O-N 3.28Å
5	D	51.2	Low	67.7	Low	62 Å²	62	97.9 Å²	97.9	33%	0.332	49%	0.489	S	S	.	.			trans	-66.3	86.6	-174.7	-163.6	5.7	0	0	0	106.6	D3 R7 R8	D3-D5 VanDerWaalsContact C-N 3.35Å; D3-D5 PolarHBondContact O-N 3.12Å; D5-R7 PolarHBondContact O-N 3.35Å; D5-R7 IonicContact OD1-CZ 3.68Å; D5-R7 VanDerWaalsContact OD1-CZ 3.25Å; D5-R7 IonicContact OD1-NE 3.49Å; D5-R7 PolarHBondContact OD1-NE 2.69Å; D5-R7 IonicContact OD1-NH2 3.43Å; D5-R7 PolarHBondContact OD1-NH2 3Å; D5-R7 IonicContact OD2-NH2 3.48Å; D5-R7 PolarHBondContact OD2-NH2 2.9Å; D5-R8 HydrophobicContact CB-CG 4.29Å; D5-R8 WeakPolarHBondContact O-CB 3.38Å; D5-R8 PolarHBondContact O-N 3.49Å
6	E	52.9	Low	69.6	Low	98 Å²	98	91.8 Å²	91.8	46%	0.458	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-53.5	-21.4	-174.9	-69.9	177.1	154	0	0	111.3	F4 R8 S9 R257 Y259	F4-E6 PolarHBondContact O-N 3.28Å; E6-R8 PolarHBondContact O-N 3.32Å; E6-S9 PolarHBondContact O-N 2.84Å; E6-S9 PolarHBondContact O-OG 2.92Å; E6-R257 IonicContact OE2-NH1 3.18Å; E6-R257 PolarHBondContact OE2-NH1 3.41Å; E6-Y259 WeakPolarHBondContact CB-OH 3.38Å
7	R	57	Low	71.3	Confident	84 Å²	84	86.4 Å²	86.4	32%	0.317	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-65.6	-15.3	174	-62.4	179.9	-66.3	163.4	9.2	114.3	D5 S9 Y12	D5-R7 PolarHBondContact O-N 3.35Å; D5-R7 IonicContact OD1-CZ 3.68Å; D5-R7 VanDerWaalsContact OD1-CZ 3.25Å; D5-R7 IonicContact OD1-NE 3.49Å; D5-R7 PolarHBondContact OD1-NE 2.69Å; D5-R7 IonicContact OD1-NH2 3.43Å; D5-R7 PolarHBondContact OD1-NH2 3Å; D5-R7 IonicContact OD2-NH2 3.48Å; D5-R7 PolarHBondContact OD2-NH2 2.9Å; R7-S9 VanDerWaalsContact C-N 3.26Å; R7-S9 PolarHBondContact O-N 2.9Å; R7-Y12 HydrophobicContact CB-CD1 4.42Å; R7-Y12 HydrophobicContact CG-CD1 4.49Å; R7-Y12 HydrophobicContact CG-CE1 4.37Å
8	R	56	Low	72.9	Confident	217 Å²	217	81.6 Å²	81.6	82%	0.819	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-82.6	2.7	176	-72.4	-171.9	173.5	-168.4	-3.2	113.8	D5 E6	D5-R8 HydrophobicContact CB-CG 4.29Å; D5-R8 WeakPolarHBondContact O-CB 3.38Å; D5-R8 PolarHBondContact O-N 3.49Å; E6-R8 PolarHBondContact O-N 3.32Å
9	S	71.9	Confident	74.2	Confident	50 Å²	50	77.3 Å²	77.3	35%	0.35	39%	0.386	S	S	.	.	S	Bend	trans	-74.9	140.7	169.3	61.4	0	0	0	0	110.1	E6 R7 D11 Y12	E6-S9 PolarHBondContact O-N 2.84Å; E6-S9 PolarHBondContact O-OG 2.92Å; R7-S9 VanDerWaalsContact C-N 3.26Å; R7-S9 PolarHBondContact O-N 2.9Å; S9-D11 PolarHBondContact O-N 3.18Å; S9-Y12 PolarHBondContact O-N 2.67Å
10	D	78.7	Confident	75.5	Confident	153 Å²	153	73.5 Å²	73.5	82%	0.818	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-2.5	173.1	-70	-33.2	0	0	0	113	K260	D10-K260 VanDerWaalsContact O-CE 3.25Å; D10-K260 WeakPolarHBondContact O-CE 3.37Å; D10-K260 PolarHBondContact O-NZ 3.02Å
11	D	92.4	Very high	76.5	Confident	68 Å²	68	70 Å²	70	36%	0.364	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-7.1	-173.9	-63.7	-26.5	0	0	0	113.9	S9 Y259 K260	S9-D11 PolarHBondContact O-N 3.18Å; D11-Y259 CarbonylContact O-C 3.54Å; D11-Y259 WeakPolarHBondContact O-CA 3.3Å; D11-K260 HydrophobicContact CB-CB 4.12Å; D11-K260 HydrophobicContact CB-CD 4.31Å; D11-K260 HydrophobicContact CB-CG 4.29Å; D11-K260 PolarHBondContact O-N 2.86Å; D11-K260 WeakPolarHBondContact OD1-CD 3.44Å; D11-K260 IonicContact OD1-NZ 2.94Å; D11-K260 PolarHBondContact OD1-NZ 2.82Å
12	Y	96	Very high	79.5	Confident	42 Å²	42	58.4 Å²	58.4	17%	0.165	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129	176.8	179.5	-110	0	0	0	111.6	R7 S9 G14 S15 E53 R257 Y259	R7-Y12 HydrophobicContact CB-CD1 4.42Å; R7-Y12 HydrophobicContact CG-CD1 4.49Å; R7-Y12 HydrophobicContact CG-CE1 4.37Å; S9-Y12 PolarHBondContact O-N 2.67Å; Y12-G14 VanDerWaalsContact CE2-O 3.25Å; Y12-G14 WeakPolarHBondContact CE2-O 3.25Å; Y12-G14 VanDerWaalsContact CZ-CA 3.41Å; Y12-G14 WeakPolarHBondContact OH-CA 3.41Å; Y12-G14 PolarHBondContact OH-O 2.84Å; Y12-S15 PolarHBondContact OH-N 3.49Å; Y12-E53 VanDerWaalsContact CE1-OE1 3.3Å; Y12-E53 WeakPolarHBondContact CE1-OE1 3.44Å; Y12-E53 WeakPolarHBondContact CE1-OE2 3.35Å; Y12-E53 PolarHBondContact OH-OE1 2.88Å; Y12-E53 PolarHBondContact OH-OE2 2.75Å; Y12-R257 HydrophobicContact CE2-CB 4.07Å; Y12-R257 HydrophobicContact CE2-CG 4.14Å; Y12-Y259 HydrophobicContact CD2-CD1 4.11Å; Y12-Y259 AromaticContact CD2-CE1 3.71Å; Y12-Y259 HydrophobicContact CD2-CE1 3.71Å; Y12-Y259 HydrophobicContact CD2-CE2 4.43Å; Y12-Y259 AromaticContact CD2-CZ 3.89Å; Y12-Y259 HydrophobicContact CG-CE1 4.26Å
13	I	96.5	Very high	82.3	Confident	46 Å²	46	54.1 Å²	54.1	24%	0.236	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-42.4	-179	-60.8	178.7	0	0	0	111.1	L127 D128 V258 K260	I13-L127 HydrophobicContact CG2-CB 3.9Å; I13-L127 HydrophobicContact CG2-CD2 4.11Å; I13-D128 HydrophobicContact CD1-CB 4.36Å; I13-V258 HydrophobicContact CB-CG1 4.41Å; I13-V258 WeakPolarHBondContact CB-O 3.16Å; I13-V258 HydrophobicContact CD1-CG1 4.36Å; I13-V258 PolarHBondContact N-O 2.73Å; I13-K260 HydrophobicContact CD1-CG 4.17Å; I13-K260 HydrophobicContact CG1-CG 4.29Å
14	G	97.7	Very high	84.9	Confident	3 Å²	3	48 Å²	48	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-164.5	-178.1	0	0	0	0	0	112.5	Y12 V258	Y12-G14 VanDerWaalsContact CE2-O 3.25Å; Y12-G14 WeakPolarHBondContact CE2-O 3.25Å; Y12-G14 VanDerWaalsContact CZ-CA 3.41Å; Y12-G14 WeakPolarHBondContact OH-CA 3.41Å; Y12-G14 PolarHBondContact OH-O 2.84Å; G14-V258 PolarHBondContact N-O 3.26Å; G14-V258 PolarHBondContact O-N 3.13Å
15	S	98.4	Very high	87.2	Confident	4 Å²	4	39.5 Å²	39.5	3%	0.028	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	162	-179	61.7	0	0	0	0	113.6	Y12 P55 S56 V256	Y12-S15 PolarHBondContact OH-N 3.49Å; S15-P55 CarbonylContact O-C 3.51Å; S15-P55 WeakPolarHBondContact O-CA 3.45Å; S15-S56 PolarHBondContact O-N 2.8Å; S15-V256 CarbonylContact C-O 3.56Å; S15-V256 WeakPolarHBondContact CA-O 3.36Å; S15-V256 WeakPolarHBondContact CB-O 3.31Å
16	F	98.8	Very high	89.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	159.1	164.1	67.3	-83.8	0	0	0	109.2	I18 F57 L127 F131 V172 L174 F222 V256 V258	F16-I18 HydrophobicContact CD2-CG1 4.01Å; F16-I18 HydrophobicContact CE2-CD1 3.78Å; F16-I18 HydrophobicContact CE2-CG1 3.75Å; F16-F57 WeakPolarHBondContact CA-O 3.42Å; F16-F57 HydrophobicContact CB-CD1 4.03Å; F16-F57 HydrophobicContact CB-CD2 3.85Å; F16-F57 HydrophobicContact CB-CE1 3.72Å; F16-F57 HydrophobicContact CB-CE2 3.53Å; F16-F57 HydrophobicContact CB-CG 4.09Å; F16-F57 HydrophobicContact CB-CZ 3.46Å; F16-F57 VanDerWaalsContact CB-CZ 3.46Å; F16-F57 WeakPolarHBondContact CB-O 3.15Å; F16-F57 AromaticContact CD1-CZ 3.99Å; F16-F57 HydrophobicContact CD1-CZ 3.99Å; F16-F57 HydrophobicContact CD2-CD2 4.42Å; F16-F57 AromaticContact CD2-CE2 3.54Å; F16-F57 HydrophobicContact CD2-CE2 3.54Å; F16-F57 AromaticContact CD2-CZ 3.76Å; F16-F57 HydrophobicContact CD2-CZ 3.76Å; F16-F57 HydrophobicContact CE2-CE2 4.35Å; F16-F57 HydrophobicContact CE2-CZ 4.44Å; F16-F57 HydrophobicContact CG-CD2 4.44Å; F16-F57 HydrophobicContact CG-CE1 4.14Å; F16-F57 AromaticContact CG-CE2 3.66Å; F16-F57 HydrophobicContact CG-CE2 3.66Å; F16-F57 AromaticContact CG-CZ 3.48Å; F16-F57 HydrophobicContact CG-CZ 3.48Å; F16-F57 VanDerWaalsContact CG-CZ 3.48Å; F16-L127 HydrophobicContact CD1-CD1 4.36Å; F16-F131 AromaticContact CD1-CE1 3.88Å; F16-F131 HydrophobicContact CD1-CE1 3.88Å; F16-F131 AromaticContact CD1-CZ 3.99Å; F16-F131 HydrophobicContact CD1-CZ 3.99Å; F16-F131 AromaticContact CE1-CE1 3.43Å; F16-F131 HydrophobicContact CE1-CE1 3.43Å; F16-F131 VanDerWaalsContact CE1-CE1 3.43Å; F16-F131 AromaticContact CE1-CZ 3.87Å; F16-F131 HydrophobicContact CE1-CZ 3.87Å; F16-F131 HydrophobicContact CE2-CE1 4.5Å; F16-F131 AromaticContact CZ-CE1 3.77Å; F16-F131 HydrophobicContact CZ-CE1 3.77Å; F16-V172 HydrophobicContact CZ-CG1 4.47Å; F16-L174 HydrophobicContact CE2-CD2 4.31Å; F16-F222 HydrophobicContact CZ-CD2 4.36Å; F16-F222 HydrophobicContact CZ-CE2 4.08Å; F16-V256 HydrophobicContact CD1-CB 3.87Å; F16-V256 HydrophobicContact CD1-CG1 4.08Å; F16-V256 HydrophobicContact CD2-CB 4.2Å; F16-V256 HydrophobicContact CD2-CG2 4.3Å; F16-V256 HydrophobicContact CE1-CB 3.47Å; F16-V256 VanDerWaalsContact CE1-CB 3.47Å; F16-V256 HydrophobicContact CE1-CG1 3.27Å; F16-V256 HydrophobicContact CE1-CG2 4.22Å; F16-V256 HydrophobicContact CE2-CB 3.85Å; F16-V256 HydrophobicContact CE2-CG1 4.28Å; F16-V256 HydrophobicContact CE2-CG2 3.73Å; F16-V256 HydrophobicContact CG-CB 4.22Å; F16-V256 HydrophobicContact CZ-CB 3.47Å; F16-V256 VanDerWaalsContact CZ-CB 3.47Å; F16-V256 HydrophobicContact CZ-CG1 3.41Å; F16-V256 VanDerWaalsContact CZ-CG1 3.41Å; F16-V256 HydrophobicContact CZ-CG2 3.68Å; F16-V256 PolarHBondContact N-O 2.91Å; F16-V256 PolarHBondContact O-N 3.32Å; F16-V258 HydrophobicContact CD1-CG2 4.2Å; F16-V258 HydrophobicContact CE1-CG2 4.12Å
17	A	98.9	Very high	91.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	156.4	174.8	0	0	0	0	0	111.1	I48 P55 F57 V58 A59 Y253 R254	A17-I48 HydrophobicContact CB-CD1 4.09Å; A17-I48 HydrophobicContact CB-CG1 4.43Å; A17-P55 HydrophobicContact CB-CB 4.42Å; A17-P55 HydrophobicContact CB-CG 4.16Å; A17-F57 PolarHBondContact N-O 2.84Å; A17-F57 VanDerWaalsContact N-O 3.08Å; A17-V58 HydrophobicContact CB-CG1 4.27Å; A17-V58 HydrophobicContact CB-CG2 4.04Å; A17-V58 CarbonylContact O-C 3.49Å; A17-V58 VanDerWaalsContact O-CA 3.29Å; A17-V58 WeakPolarHBondContact O-CA 3.33Å; A17-A59 PolarHBondContact O-N 2.79Å; A17-Y253 HydrophobicContact CB-CD2 3.92Å; A17-Y253 HydrophobicContact CB-CE2 4.32Å; A17-R254 CarbonylContact C-O 3.58Å; A17-R254 VanDerWaalsContact CA-O 3.31Å; A17-R254 WeakPolarHBondContact CA-O 3.43Å
18	I	98.9	Very high	93	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.1	177.3	-52.3	177.5	0	0	0	108.8	F16 A59 V61 L174 F222 Y253 R254 V256	F16-I18 HydrophobicContact CD2-CG1 4.01Å; F16-I18 HydrophobicContact CE2-CD1 3.78Å; F16-I18 HydrophobicContact CE2-CG1 3.75Å; I18-A59 CarbonylContact C-O 3.49Å; I18-A59 VanDerWaalsContact CA-O 3.31Å; I18-A59 WeakPolarHBondContact CA-O 3.46Å; I18-V61 HydrophobicContact CG2-CB 4.4Å; I18-V61 HydrophobicContact CG2-CG1 3.69Å; I18-V61 HydrophobicContact CG2-CG2 3.77Å; I18-L174 HydrophobicContact CD1-CD2 4.37Å; I18-F222 HydrophobicContact CD1-CB 3.48Å; I18-F222 VanDerWaalsContact CD1-CB 3.48Å; I18-F222 HydrophobicContact CD1-CD1 3.48Å; I18-F222 VanDerWaalsContact CD1-CD1 3.48Å; I18-F222 HydrophobicContact CD1-CD2 4.21Å; I18-F222 HydrophobicContact CD1-CE1 4.26Å; I18-F222 HydrophobicContact CD1-CG 3.45Å; I18-F222 VanDerWaalsContact CD1-CG 3.45Å; I18-Y253 WeakPolarHBondContact O-CA 3.39Å; I18-Y253 WeakPolarHBondContact O-CB 3.21Å; I18-R254 HydrophobicContact CB-CB 4.2Å; I18-R254 PolarHBondContact N-O 3.39Å; I18-R254 PolarHBondContact O-N 2.9Å; I18-V256 HydrophobicContact CD1-CG2 3.9Å; I18-V256 HydrophobicContact CG1-CG2 4.27Å
19	I	98.9	Very high	94.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.7	169.6	-68.9	175.8	0	0	0	106.9	L41 T44 I48 V58 A59 F60 V61 T245	I19-L41 HydrophobicContact CD1-CD1 3.99Å; I19-L41 HydrophobicContact CG2-CD1 4.21Å; I19-T44 HydrophobicContact CD1-CG2 3.84Å; I19-T44 HydrophobicContact CG1-CG2 3.99Å; I19-I48 HydrophobicContact CD1-CD1 3.84Å; I19-I48 HydrophobicContact CG1-CD1 4.18Å; I19-V58 HydrophobicContact CD1-CG1 3.9Å; I19-V58 HydrophobicContact CG1-CG1 4Å; I19-A59 PolarHBondContact N-O 3.46Å; I19-F60 HydrophobicContact CB-CD1 3.9Å; I19-F60 HydrophobicContact CB-CE1 3.93Å; I19-F60 HydrophobicContact CB-CG 4.46Å; I19-F60 HydrophobicContact CB-CZ 4.5Å; I19-F60 HydrophobicContact CD1-CE1 3.81Å; I19-F60 HydrophobicContact CD1-CZ 3.77Å; I19-F60 HydrophobicContact CG1-CE1 4.47Å; I19-F60 HydrophobicContact CG2-CD1 3.69Å; I19-F60 HydrophobicContact CG2-CE1 3.68Å; I19-F60 VanDerWaalsContact O-CA 3.27Å; I19-F60 WeakPolarHBondContact O-CA 3.37Å; I19-V61 PolarHBondContact O-N 3.07Å; I19-T245 HydrophobicContact CG2-CG2 3.74Å
20	A	98.7	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-120.1	139.2	-178	0	0	0	0	0	109.8	V61 T242 S244 T245	A20-V61 HydrophobicContact CB-CG2 3.54Å; A20-T242 HydrophobicContact CB-CG2 4.04Å; A20-T242 WeakPolarHBondContact CB-O 3.47Å; A20-S244 VanDerWaalsContact O-CA 3.31Å; A20-S244 WeakPolarHBondContact O-CA 3.34Å; A20-T245 PolarHBondContact O-N 3.45Å
21	D	98.5	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.			trans	47.8	55.8	166.3	-47.8	-114.5	0	0	0	113.8	Q23 G62 D63 H176 G224 H225 H227 S244 T246	D21-Q23 PolarHBondContact O-N 2.78Å; D21-G62 WeakPolarHBondContact CA-O 3.25Å; D21-G62 PolarHBondContact N-O 3.26Å; D21-D63 CarbonylContact C-O 3.57Å; D21-D63 HydrophobicContact CB-CB 4.23Å; D21-H176 IonicContact OD1-CE1 2.78Å; D21-H176 PolarHBondContact OD1-CE1 2.75Å; D21-H176 IonicContact OD1-ND1 2.73Å; D21-G224 VanDerWaalsContact OD2-CA 3.27Å; D21-G224 WeakPolarHBondContact OD2-CA 3.39Å; D21-H225 VanDerWaalsContact CG-N 3.35Å; D21-H225 VanDerWaalsContact OD1-CA 3.22Å; D21-H225 WeakPolarHBondContact OD1-CA 3.45Å; D21-H225 PolarHBondContact OD1-N 3.47Å; D21-H225 PolarHBondContact OD2-N 2.93Å; D21-H227 IonicContact OD1-CD2 3.85Å; D21-H227 IonicContact OD1-NE2 2.78Å; D21-H227 PolarHBondContact OD1-NE2 2.9Å; D21-S244 PolarHBondContact O-OG 3.37Å; D21-T246 WeakPolarHBondContact O-CG2 3Å
22	P	98.3	Very high	96.1	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.149	C	C	.	.			trans	-66.3	-24.4	174.7	28.6	-33.5	0	0	0	112.8	F24 L41 F60 D63 F81 T245 T246	P22-F24 VanDerWaalsContact C-N 3.33Å; P22-F24 HydrophobicContact CB-CD2 4.35Å; P22-F24 HydrophobicContact CB-CE2 4.27Å; P22-F24 PolarHBondContact O-N 3.18Å; P22-F24 VanDerWaalsContact O-N 3.08Å; P22-L41 HydrophobicContact CB-CD2 4.33Å; P22-F60 HydrophobicContact CG-CD1 4.37Å; P22-D63 WeakPolarHBondContact CD-O 3.49Å; P22-F81 HydrophobicContact CB-CE2 4.41Å; P22-F81 HydrophobicContact CG-CD2 4.23Å; P22-F81 HydrophobicContact CG-CE2 3.71Å; P22-T245 WeakPolarHBondContact CA-OG1 3.36Å; P22-T245 WeakPolarHBondContact CB-OG1 3.49Å; P22-T246 WeakPolarHBondContact O-CG2 3.45Å
23	Q	97.3	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.			trans	39.8	55.3	159.7	-148.9	-179.9	4.5	0	0	114.4	D21 G25 L26 D63 L64 H66 H99 H227 T246	D21-Q23 PolarHBondContact O-N 2.78Å; Q23-G25 PolarHBondContact O-N 3.46Å; Q23-G25 VanDerWaalsContact O-N 3.15Å; Q23-L26 HydrophobicContact CB-CB 4.26Å; Q23-L26 HydrophobicContact CG-CB 4.13Å; Q23-L26 VanDerWaalsContact O-CB 3.23Å; Q23-L26 WeakPolarHBondContact O-CB 3.45Å; Q23-L26 PolarHBondContact O-N 3.36Å; Q23-L26 VanDerWaalsContact O-N 3.08Å; Q23-D63 WeakPolarHBondContact CA-O 3.22Å; Q23-D63 HydrophobicContact CB-CB 4.49Å; Q23-D63 WeakPolarHBondContact CB-O 3.47Å; Q23-D63 HydrophobicContact CG-CB 4.24Å; Q23-D63 PolarHBondContact N-O 3.13Å; Q23-L64 PolarHBondContact N-O 3.27Å; Q23-H66 HydrophobicContact CG-CB 3.87Å; Q23-H66 PolarHBondContact NE2-ND1 3.02Å; Q23-H99 PolarHBondContact NE2-CD2 2.83Å; Q23-H99 PolarHBondContact NE2-CE1 3.06Å; Q23-H99 VanDerWaalsContact NE2-CG 3.34Å; Q23-H99 PolarHBondContact NE2-ND1 2.99Å; Q23-H99 PolarHBondContact NE2-NE2 2.85Å; Q23-H227 PolarHBondContact OE1-CE1 2.86Å; Q23-H227 PolarHBondContact OE1-NE2 2.9Å; Q23-T246 HydrophobicContact CB-CG2 4.06Å
24	F	98.1	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-53.6	121	-178	-84.4	-139.7	0	0	0	110.4	P22 W34 E37 K38 L41 H66 Q77 D80 F81	P22-F24 VanDerWaalsContact C-N 3.33Å; P22-F24 HydrophobicContact CB-CD2 4.35Å; P22-F24 HydrophobicContact CB-CE2 4.27Å; P22-F24 PolarHBondContact O-N 3.18Å; P22-F24 VanDerWaalsContact O-N 3.08Å; F24-W34 HydrophobicContact CB-CB 4.06Å; F24-W34 HydrophobicContact CB-CG 4.23Å; F24-W34 HydrophobicContact CD1-CB 4.31Å; F24-W34 AromaticContact CD1-CD1 3.48Å; F24-W34 VanDerWaalsContact CD1-CD1 3.48Å; F24-W34 HydrophobicContact CD1-CG 4.02Å; F24-W34 HydrophobicContact CG-CB 4.4Å; F24-W34 HydrophobicContact CG-CG 4.49Å; F24-E37 HydrophobicContact CD2-CB 3.92Å; F24-E37 HydrophobicContact CE2-CB 4.18Å; F24-E37 HydrophobicContact CG-CB 4.33Å; F24-K38 HydrophobicContact CE1-CB 4.07Å; F24-K38 HydrophobicContact CZ-CB 4.2Å; F24-L41 HydrophobicContact CE2-CB 4.11Å; F24-L41 HydrophobicContact CE2-CD2 3.64Å; F24-L41 HydrophobicContact CZ-CB 4.3Å; F24-L41 HydrophobicContact CZ-CD2 3.8Å; F24-H66 WeakPolarHBondContact O-CB 3.32Å; F24-H66 PolarHBondContact O-N 2.99Å; F24-Q77 HydrophobicContact CB-CB 4.21Å; F24-Q77 HydrophobicContact CB-CG 4.4Å; F24-Q77 PolarHBondContact O-NE2 3.05Å; F24-Q77 PolarHBondContact O-OE1 3.4Å; F24-D80 HydrophobicContact CD1-CB 4.23Å; F24-D80 HydrophobicContact CE1-CB 4.15Å; F24-F81 HydrophobicContact CD1-CB 4.31Å; F24-F81 HydrophobicContact CD2-CD2 4.42Å; F24-F81 HydrophobicContact CE1-CB 4.34Å; F24-F81 HydrophobicContact CE2-CD2 4.22Å; F24-F81 HydrophobicContact CG-CB 4.5Å
25	G	96.8	Very high	96	Very high	2 Å²	2	32 Å²	32	2%	0.021	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.2	0.5	178.4	0	0	0	0	0	114.1	Q23 P29 W34 E37 H66	Q23-G25 PolarHBondContact O-N 3.46Å; Q23-G25 VanDerWaalsContact O-N 3.15Å; G25-P29 WeakPolarHBondContact O-CA 3.48Å; G25-W34 VanDerWaalsContact N-CB 3.34Å; G25-E37 PolarHBondContact N-OE1 3.41Å; G25-E37 VanDerWaalsContact N-OE1 3.1Å; G25-H66 PolarHBondContact O-CD2 3.41Å
26	L	95.6	Very high	95.8	Very high	11 Å²	11	32.1 Å²	32.1	6%	0.058	17%	0.165	C	C	.	.	S	Bend	trans	-67.2	-40.2	176.9	172.7	73	0	0	0	112.7	Q23 P29 E37 H66 T246 F282	Q23-L26 HydrophobicContact CB-CB 4.26Å; Q23-L26 HydrophobicContact CG-CB 4.13Å; Q23-L26 VanDerWaalsContact O-CB 3.23Å; Q23-L26 WeakPolarHBondContact O-CB 3.45Å; Q23-L26 PolarHBondContact O-N 3.36Å; Q23-L26 VanDerWaalsContact O-N 3.08Å; L26-P29 WeakPolarHBondContact O-CD 3.39Å; L26-E37 PolarHBondContact N-OE1 3.49Å; L26-H66 HydrophobicContact CB-CB 4.3Å; L26-T246 HydrophobicContact CD2-CG2 3.87Å; L26-T246 WeakPolarHBondContact CD2-OG1 3.35Å; L26-F282 HydrophobicContact CD1-CE2 3.85Å; L26-F282 HydrophobicContact CD1-CZ 4.39Å; L26-F282 HydrophobicContact CD2-CE2 3.87Å; L26-F282 HydrophobicContact CG-CE2 4.46Å
27	L	94.2	Very high	95.8	Very high	18 Å²	18	32.2 Å²	32.2	9%	0.094	17%	0.166	C	C	.	.	S	Bend	trans	-79.7	-26.3	-165.3	-67.2	-175.8	0	0	0	113	V36 E37 L40 V248 P278	L27-V36 HydrophobicContact CD1-CB 3.93Å; L27-V36 HydrophobicContact CD1-CG1 3.51Å; L27-E37 WeakPolarHBondContact CB-OE1 3.23Å; L27-E37 HydrophobicContact CD1-CG 4.02Å; L27-E37 HydrophobicContact CG-CG 4.09Å; L27-E37 WeakPolarHBondContact CG-OE1 3.14Å; L27-E37 PolarHBondContact N-OE1 3.35Å; L27-L40 HydrophobicContact CD1-CD1 4.39Å; L27-V248 HydrophobicContact CD1-CG2 4.38Å; L27-P278 HydrophobicContact CB-CG 3.89Å; L27-P278 HydrophobicContact CD1-CG 4.09Å; L27-P278 HydrophobicContact CD2-CG 4.05Å; L27-P278 HydrophobicContact CG-CG 4.21Å
28	K	92.5	Very high	95.7	Very high	57 Å²	57	35.1 Å²	35.1	25%	0.248	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-143	57	-177.1	-68.1	-173	-159.3	168.3	0	111.8	E30 Q31 N32 D33	K28-E30 VanDerWaalsContact C-N 3.34Å; K28-E30 PolarHBondContact O-N 2.81Å; K28-Q31 HydrophobicContact CB-CB 4.35Å; K28-Q31 PolarHBondContact O-N 3.29Å; K28-Q31 VanDerWaalsContact O-N 3.11Å; K28-N32 PolarHBondContact O-N 2.82Å; K28-D33 HydrophobicContact CB-CB 4.19Å; K28-D33 HydrophobicContact CD-CB 4.14Å; K28-D33 VanDerWaalsContact CD-OD2 3.31Å; K28-D33 WeakPolarHBondContact CD-OD2 3.26Å; K28-D33 IonicContact NZ-OD2 4Å; K28-D33 PolarHBondContact NZ-OD2 2.85Å
29	P	89.7	Confident	95.6	Very high	57 Å²	57	37.6 Å²	37.6	37%	0.37	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-61.9	-41.7	-172	24.3	-33.5	0	0	0	111.8	G25 L26 Q31 N32	G25-P29 WeakPolarHBondContact O-CA 3.48Å; L26-P29 WeakPolarHBondContact O-CD 3.39Å; P29-Q31 PolarHBondContact O-N 3.49Å; P29-Q31 VanDerWaalsContact O-N 3.15Å; P29-N32 PolarHBondContact O-N 3.17Å; P29-N32 VanDerWaalsContact O-N 3.09Å; P29-N32 PolarHBondContact O-OD1 3.45Å
30	E	90.2	Very high	95.5	Very high	171 Å²	171	37.6 Å²	37.6	80%	0.799	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-65.7	-17.7	179.6	-57.7	-60.6	160.1	0	0	114	K28	K28-E30 VanDerWaalsContact C-N 3.34Å; K28-E30 PolarHBondContact O-N 2.81Å
31	Q	92.3	Very high	95.5	Very high	125 Å²	125	37.6 Å²	37.6	58%	0.584	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-99.9	-3.2	178	-63.6	84.5	44.4	0	0	112.9	K28 P29 D33	K28-Q31 HydrophobicContact CB-CB 4.35Å; K28-Q31 PolarHBondContact O-N 3.29Å; K28-Q31 VanDerWaalsContact O-N 3.11Å; P29-Q31 PolarHBondContact O-N 3.49Å; P29-Q31 VanDerWaalsContact O-N 3.15Å; Q31-D33 HydrophobicContact CB-CB 4.1Å; Q31-D33 PolarHBondContact O-N 2.96Å
32	N	91.9	Very high	95.5	Very high	93 Å²	93	39.7 Å²	39.7	50%	0.497	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	42.4	-170.1	-68.6	-27.3	0	0	0	112.1	K28 P29 W34 E73	K28-N32 PolarHBondContact O-N 2.82Å; P29-N32 PolarHBondContact O-N 3.17Å; P29-N32 VanDerWaalsContact O-N 3.09Å; P29-N32 PolarHBondContact O-OD1 3.45Å; N32-W34 WeakPolarHBondContact O-CZ3 3.25Å; N32-E73 WeakPolarHBondContact OD1-CG 3.46Å
33	D	95.1	Very high	95.5	Very high	45 Å²	45	41 Å²	41	24%	0.241	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-119.9	124.6	-176.4	175.9	14.6	0	0	0	109.9	K28 Q31 S35	K28-D33 HydrophobicContact CB-CB 4.19Å; K28-D33 HydrophobicContact CD-CB 4.14Å; K28-D33 VanDerWaalsContact CD-OD2 3.31Å; K28-D33 WeakPolarHBondContact CD-OD2 3.26Å; K28-D33 IonicContact NZ-OD2 4Å; K28-D33 PolarHBondContact NZ-OD2 2.85Å; Q31-D33 HydrophobicContact CB-CB 4.1Å; Q31-D33 PolarHBondContact O-N 2.96Å; D33-S35 WeakPolarHBondContact OD1-CB 3.4Å; D33-S35 PolarHBondContact OD1-N 2.97Å; D33-S35 PolarHBondContact OD1-OG 2.81Å; D33-S35 PolarHBondContact OD2-OG 3.46Å
34	W	96.4	Very high	95.5	Very high	32 Å²	32	41 Å²	41	12%	0.121	21%	0.212	C	C	.	.			trans	-126.2	24.7	175.4	52.6	82	0	0	0	112.2	F24 G25 N32 V36 E37 K38 A76 Q77 D80	F24-W34 HydrophobicContact CB-CB 4.06Å; F24-W34 HydrophobicContact CB-CG 4.23Å; F24-W34 HydrophobicContact CD1-CB 4.31Å; F24-W34 AromaticContact CD1-CD1 3.48Å; F24-W34 VanDerWaalsContact CD1-CD1 3.48Å; F24-W34 HydrophobicContact CD1-CG 4.02Å; F24-W34 HydrophobicContact CG-CB 4.4Å; F24-W34 HydrophobicContact CG-CG 4.49Å; G25-W34 VanDerWaalsContact N-CB 3.34Å; N32-W34 WeakPolarHBondContact O-CZ3 3.25Å; W34-V36 VanDerWaalsContact C-N 3.25Å; W34-V36 PolarHBondContact O-N 2.97Å; W34-E37 VanDerWaalsContact CA-OE2 3.32Å; W34-E37 WeakPolarHBondContact CA-OE2 3.14Å; W34-E37 PolarHBondContact O-N 2.86Å; W34-K38 WeakPolarHBondContact O-CB 3.47Å; W34-K38 PolarHBondContact O-N 3.14Å; W34-A76 HydrophobicContact CH2-CB 3.65Å; W34-A76 HydrophobicContact CZ2-CB 3.83Å; W34-Q77 HydrophobicContact CD2-CG 4.02Å; W34-Q77 HydrophobicContact CE3-CG 3.75Å; W34-Q77 HydrophobicContact CH2-CG 4.22Å; W34-Q77 HydrophobicContact CZ2-CG 4.46Å; W34-Q77 HydrophobicContact CZ3-CG 3.86Å; W34-D80 VanDerWaalsContact NE1-CB 3.34Å; W34-D80 PolarHBondContact NE1-OD2 3.28Å
35	S	95.9	Very high	95.6	Very high	56 Å²	56	41.1 Å²	41.1	39%	0.392	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-30.9	179	56.9	0	0	0	0	113.2	D33 T39	D33-S35 WeakPolarHBondContact OD1-CB 3.4Å; D33-S35 PolarHBondContact OD1-N 2.97Å; D33-S35 PolarHBondContact OD1-OG 2.81Å; D33-S35 PolarHBondContact OD2-OG 3.46Å; S35-T39 PolarHBondContact O-N 2.83Å; S35-T39 VanDerWaalsContact O-N 3.1Å; S35-T39 PolarHBondContact O-OG1 3.34Å
36	V	95.8	Very high	95.6	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-70.6	-50.8	177.1	179.9	0	0	0	0	109.6	L27 W34 K38 T39 L40 V248 L275	L27-V36 HydrophobicContact CD1-CB 3.93Å; L27-V36 HydrophobicContact CD1-CG1 3.51Å; W34-V36 VanDerWaalsContact C-N 3.25Å; W34-V36 PolarHBondContact O-N 2.97Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 2.91Å; V36-T39 PolarHBondContact O-N 2.97Å; V36-T39 VanDerWaalsContact O-N 3.11Å; V36-L40 HydrophobicContact CG1-CD1 3.96Å; V36-L40 HydrophobicContact CG1-CG 4.38Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.3Å; V36-L40 PolarHBondContact O-N 3.5Å; V36-V248 HydrophobicContact CG1-CG2 4.02Å; V36-L275 HydrophobicContact CG1-CD1 4.26Å
37	E	97	Very high	95.8	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-42.5	176.6	-64.2	92.4	138.5	0	0	111.6	F24 G25 L26 L27 W34 T39 L40 L41 T246	F24-E37 HydrophobicContact CD2-CB 3.92Å; F24-E37 HydrophobicContact CE2-CB 4.18Å; F24-E37 HydrophobicContact CG-CB 4.33Å; G25-E37 PolarHBondContact N-OE1 3.41Å; G25-E37 VanDerWaalsContact N-OE1 3.1Å; L26-E37 PolarHBondContact N-OE1 3.49Å; L27-E37 WeakPolarHBondContact CB-OE1 3.23Å; L27-E37 HydrophobicContact CD1-CG 4.02Å; L27-E37 HydrophobicContact CG-CG 4.09Å; L27-E37 WeakPolarHBondContact CG-OE1 3.14Å; L27-E37 PolarHBondContact N-OE1 3.35Å; W34-E37 VanDerWaalsContact CA-OE2 3.32Å; W34-E37 WeakPolarHBondContact CA-OE2 3.14Å; W34-E37 PolarHBondContact O-N 2.86Å; E37-T39 PolarHBondContact O-N 2.71Å; E37-L40 PolarHBondContact O-N 2.77Å; E37-L41 WeakPolarHBondContact O-CB 3.36Å; E37-L41 PolarHBondContact O-N 3.17Å; E37-T246 HydrophobicContact CG-CG2 3.87Å
38	K	97.1	Very high	96	Very high	62 Å²	62	44.5 Å²	44.5	27%	0.27	24%	0.24	S	C	.	.	H	α-helix	trans	-55.1	-50.5	172.6	-178.1	162.9	-168.5	168.9	0	111.8	F24 W34 V36 L40 L41 D42 D80 S83	F24-K38 HydrophobicContact CE1-CB 4.07Å; F24-K38 HydrophobicContact CZ-CB 4.2Å; W34-K38 WeakPolarHBondContact O-CB 3.47Å; W34-K38 PolarHBondContact O-N 3.14Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 2.91Å; K38-L40 PolarHBondContact O-N 3.17Å; K38-L41 PolarHBondContact O-N 3.1Å; K38-D42 WeakPolarHBondContact O-CB 3.22Å; K38-D42 PolarHBondContact O-N 3.32Å; K38-D80 IonicContact NZ-OD1 2.8Å; K38-D80 PolarHBondContact NZ-OD1 2.91Å; K38-S83 PolarHBondContact NZ-OG 3.1Å
39	T	97.1	Very high	96.3	Very high	51 Å²	51	42.9 Å²	42.9	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-41.5	178.7	-53.5	0	0	0	0	112.1	S35 V36 E37 D42 N43 L275	S35-T39 PolarHBondContact O-N 2.83Å; S35-T39 VanDerWaalsContact O-N 3.1Å; S35-T39 PolarHBondContact O-OG1 3.34Å; V36-T39 PolarHBondContact O-N 2.97Å; V36-T39 VanDerWaalsContact O-N 3.11Å; E37-T39 PolarHBondContact O-N 2.71Å; T39-D42 PolarHBondContact O-N 2.79Å; T39-N43 WeakPolarHBondContact O-CB 3.44Å; T39-N43 VanDerWaalsContact O-CG 3.24Å; T39-N43 PolarHBondContact O-N 3.12Å; T39-N43 PolarHBondContact O-OD1 3.09Å; T39-L275 HydrophobicContact CG2-CD1 3.79Å; T39-L275 HydrophobicContact CG2-CD2 4.34Å; T39-L275 HydrophobicContact CG2-CG 4.46Å
40	L	97.9	Very high	96.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-41.6	179.1	-67.1	171.5	0	0	0	111.8	L27 V36 E37 K38 T44 T245 V248 N251 S272 L275	L27-L40 HydrophobicContact CD1-CD1 4.39Å; V36-L40 HydrophobicContact CG1-CD1 3.96Å; V36-L40 HydrophobicContact CG1-CG 4.38Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.3Å; V36-L40 PolarHBondContact O-N 3.5Å; E37-L40 PolarHBondContact O-N 2.77Å; K38-L40 PolarHBondContact O-N 3.17Å; L40-T44 PolarHBondContact O-N 3.17Å; L40-T44 VanDerWaalsContact O-N 3.08Å; L40-T44 PolarHBondContact O-OG1 3.5Å; L40-T245 WeakPolarHBondContact CB-O 3.5Å; L40-T245 VanDerWaalsContact CD1-O 3.24Å; L40-T245 WeakPolarHBondContact CD1-O 3.48Å; L40-V248 HydrophobicContact CD1-CG2 4.01Å; L40-N251 HydrophobicContact CD2-CB 3.92Å; L40-N251 PolarHBondContact O-ND2 3.03Å; L40-S272 WeakPolarHBondContact CD2-OG 3.35Å; L40-L275 HydrophobicContact CD2-CD1 3.64Å; L40-L275 HydrophobicContact CG-CD1 3.94Å
41	L	98.4	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69	-44.4	176.1	-178.8	57.5	0	0	0	111.6	I19 P22 F24 E37 K38 N43 T44 I45 F60 F81 C84 V85	I19-L41 HydrophobicContact CD1-CD1 3.99Å; I19-L41 HydrophobicContact CG2-CD1 4.21Å; P22-L41 HydrophobicContact CB-CD2 4.33Å; F24-L41 HydrophobicContact CE2-CB 4.11Å; F24-L41 HydrophobicContact CE2-CD2 3.64Å; F24-L41 HydrophobicContact CZ-CB 4.3Å; F24-L41 HydrophobicContact CZ-CD2 3.8Å; E37-L41 WeakPolarHBondContact O-CB 3.36Å; E37-L41 PolarHBondContact O-N 3.17Å; K38-L41 PolarHBondContact O-N 3.1Å; L41-N43 VanDerWaalsContact C-N 3.3Å; L41-N43 PolarHBondContact O-N 3.48Å; L41-T44 WeakPolarHBondContact O-CB 3.31Å; L41-T44 PolarHBondContact O-N 2.87Å; L41-T44 VanDerWaalsContact O-N 3.1Å; L41-I45 HydrophobicContact CD1-CD1 4.04Å; L41-I45 HydrophobicContact CD1-CG1 4.07Å; L41-I45 HydrophobicContact CD2-CD1 4.48Å; L41-I45 HydrophobicContact CG-CD1 3.89Å; L41-I45 HydrophobicContact CG-CG1 4.34Å; L41-I45 WeakPolarHBondContact O-CG1 3.5Å; L41-I45 PolarHBondContact O-N 2.73Å; L41-F60 HydrophobicContact CD1-CE1 4.01Å; L41-F81 HydrophobicContact CD2-CD2 3.85Å; L41-F81 HydrophobicContact CD2-CE2 3.91Å; L41-C84 HydrophobicContact CD2-CB 3.79Å; L41-C84 HydrophobicContact CG-CB 4.1Å; L41-V85 HydrophobicContact CD2-CG2 4.44Å
42	D	98.1	Very high	97.1	Very high	45 Å²	45	38.9 Å²	38.9	24%	0.241	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-39.7	176.8	-81.4	-28	0	0	0	112	K38 T39 S46 C84	K38-D42 WeakPolarHBondContact O-CB 3.22Å; K38-D42 PolarHBondContact O-N 3.32Å; T39-D42 PolarHBondContact O-N 2.79Å; D42-S46 VanDerWaalsContact O-CB 3.29Å; D42-S46 WeakPolarHBondContact O-CB 3.16Å; D42-S46 PolarHBondContact O-N 3.1Å; D42-S46 PolarHBondContact O-OG 2.81Å; D42-C84 WeakPolarHBondContact OD1-CB 3.42Å
43	N	98	Very high	97.3	Very high	29 Å²	29	37.5 Å²	37.5	16%	0.155	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-45	172.8	-76.2	-3.6	0	0	0	111.5	T39 L41 S46 A47 V270 P271 N273	T39-N43 WeakPolarHBondContact O-CB 3.44Å; T39-N43 VanDerWaalsContact O-CG 3.24Å; T39-N43 PolarHBondContact O-N 3.12Å; T39-N43 PolarHBondContact O-OD1 3.09Å; L41-N43 VanDerWaalsContact C-N 3.3Å; L41-N43 PolarHBondContact O-N 3.48Å; N43-S46 PolarHBondContact O-N 2.88Å; N43-A47 WeakPolarHBondContact O-CB 3.18Å; N43-A47 PolarHBondContact O-N 3.17Å; N43-V270 HydrophobicContact CB-CG1 3.83Å; N43-P271 PolarHBondContact ND2-O 2.97Å; N43-N273 PolarHBondContact ND2-ND2 3.49Å; N43-N273 VanDerWaalsContact ND2-ND2 3.15Å; N43-N273 PolarHBondContact OD1-ND2 3.36Å
44	T	98.6	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-45	179.4	-63.5	0	0	0	0	111.6	I19 L40 L41 S46 A47 I48 T245 N251 Y253	I19-T44 HydrophobicContact CD1-CG2 3.84Å; I19-T44 HydrophobicContact CG1-CG2 3.99Å; L40-T44 PolarHBondContact O-N 3.17Å; L40-T44 VanDerWaalsContact O-N 3.08Å; L40-T44 PolarHBondContact O-OG1 3.5Å; L41-T44 WeakPolarHBondContact O-CB 3.31Å; L41-T44 PolarHBondContact O-N 2.87Å; L41-T44 VanDerWaalsContact O-N 3.1Å; T44-S46 VanDerWaalsContact C-N 3.34Å; T44-S46 PolarHBondContact O-N 2.85Å; T44-A47 PolarHBondContact O-N 2.75Å; T44-I48 HydrophobicContact CG2-CD1 4.21Å; T44-I48 WeakPolarHBondContact O-CG1 3.45Å; T44-I48 PolarHBondContact O-N 3.43Å; T44-T245 HydrophobicContact CG2-CG2 4.28Å; T44-N251 PolarHBondContact OG1-ND2 2.95Å; T44-N251 PolarHBondContact OG1-OD1 2.98Å; T44-Y253 HydrophobicContact CG2-CD1 3.99Å; T44-Y253 HydrophobicContact CG2-CG 4.31Å
45	I	98.6	Very high	97.5	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-44	174.8	-71.4	175.2	0	0	0	110.6	L41 A47 I48 N49 C84 N87 L88	L41-I45 HydrophobicContact CD1-CD1 4.04Å; L41-I45 HydrophobicContact CD1-CG1 4.07Å; L41-I45 HydrophobicContact CD2-CD1 4.48Å; L41-I45 HydrophobicContact CG-CD1 3.89Å; L41-I45 HydrophobicContact CG-CG1 4.34Å; L41-I45 WeakPolarHBondContact O-CG1 3.5Å; L41-I45 PolarHBondContact O-N 2.73Å; I45-A47 VanDerWaalsContact C-N 3.33Å; I45-A47 PolarHBondContact O-N 2.98Å; I45-I48 PolarHBondContact O-N 2.76Å; I45-N49 WeakPolarHBondContact O-CB 3.27Å; I45-N49 VanDerWaalsContact O-CG 3.26Å; I45-N49 PolarHBondContact O-N 3.12Å; I45-C84 HydrophobicContact CD1-CB 4.12Å; I45-C84 VanDerWaalsContact CD1-O 3.29Å; I45-C84 WeakPolarHBondContact CD1-O 3.47Å; I45-N87 HydrophobicContact CG2-CB 4.27Å; I45-L88 HydrophobicContact CB-CD1 4.46Å; I45-L88 HydrophobicContact CG1-CD1 4.29Å; I45-L88 HydrophobicContact CG2-CB 4.17Å; I45-L88 HydrophobicContact CG2-CD1 3.98Å
46	S	98.2	Very high	97.7	Very high	71 Å²	71	36.2 Å²	36.2	50%	0.497	21%	0.213	S	C	.	.	H	α-helix	trans	-61.3	-41.2	176.9	-62.7	0	0	0	0	112	D42 N43 T44 N49 A50	D42-S46 VanDerWaalsContact O-CB 3.29Å; D42-S46 WeakPolarHBondContact O-CB 3.16Å; D42-S46 PolarHBondContact O-N 3.1Å; D42-S46 PolarHBondContact O-OG 2.81Å; N43-S46 PolarHBondContact O-N 2.88Å; T44-S46 VanDerWaalsContact C-N 3.34Å; T44-S46 PolarHBondContact O-N 2.85Å; S46-N49 PolarHBondContact O-N 3.11Å; S46-A50 WeakPolarHBondContact O-CB 3.27Å; S46-A50 PolarHBondContact O-N 2.82Å
47	A	98.5	Very high	97.8	Very high	30 Å²	30	36 Å²	36	25%	0.248	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-39.5	176.3	0	0	0	0	0	112.6	N43 T44 I45 A50 Y253 V270	N43-A47 WeakPolarHBondContact O-CB 3.18Å; N43-A47 PolarHBondContact O-N 3.17Å; T44-A47 PolarHBondContact O-N 2.75Å; I45-A47 VanDerWaalsContact C-N 3.33Å; I45-A47 PolarHBondContact O-N 2.98Å; A47-A50 PolarHBondContact O-N 2.82Å; A47-Y253 HydrophobicContact CB-CE1 4.12Å; A47-V270 HydrophobicContact CB-CG1 4.16Å; A47-V270 HydrophobicContact CB-CG2 3.63Å
48	I	98.7	Very high	97.9	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-45.7	174.3	-67.6	166.9	0	0	0	110.7	A17 I19 T44 I45 A50 L51 Q54 P55 V58 L88 Y253	A17-I48 HydrophobicContact CB-CD1 4.09Å; A17-I48 HydrophobicContact CB-CG1 4.43Å; I19-I48 HydrophobicContact CD1-CD1 3.84Å; I19-I48 HydrophobicContact CG1-CD1 4.18Å; T44-I48 HydrophobicContact CG2-CD1 4.21Å; T44-I48 WeakPolarHBondContact O-CG1 3.45Å; T44-I48 PolarHBondContact O-N 3.43Å; I45-I48 PolarHBondContact O-N 2.76Å; I48-A50 PolarHBondContact O-N 2.86Å; I48-L51 HydrophobicContact CG2-CD1 4.4Å; I48-L51 VanDerWaalsContact O-CB 3.29Å; I48-L51 WeakPolarHBondContact O-CB 3.36Å; I48-L51 WeakPolarHBondContact O-CG 3.49Å; I48-L51 PolarHBondContact O-N 3.46Å; I48-Q54 PolarHBondContact O-NE2 3.13Å; I48-Q54 VanDerWaalsContact O-NE2 3.1Å; I48-P55 HydrophobicContact CG2-CG 3.98Å; I48-V58 HydrophobicContact CD1-CG1 4.38Å; I48-V58 HydrophobicContact CD1-CG2 4.47Å; I48-V58 HydrophobicContact CG2-CG2 4.21Å; I48-L88 HydrophobicContact CB-CD1 4.41Å; I48-L88 HydrophobicContact CG2-CD1 4.06Å; I48-Y253 HydrophobicContact CD1-CD1 4.24Å; I48-Y253 HydrophobicContact CD1-CD2 4.07Å; I48-Y253 HydrophobicContact CD1-CG 3.92Å; I48-Y253 HydrophobicContact CG1-CD1 3.82Å; I48-Y253 HydrophobicContact CG1-CD2 3.81Å; I48-Y253 HydrophobicContact CG1-CE1 3.77Å; I48-Y253 HydrophobicContact CG1-CE2 3.76Å; I48-Y253 HydrophobicContact CG1-CG 3.83Å
49	N	98.7	Very high	98	Very high	24 Å²	24	33 Å²	33	13%	0.128	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-22.9	178.1	-76.4	-16.5	0	0	0	113.2	I45 S46 Q54 N87 R89	I45-N49 WeakPolarHBondContact O-CB 3.27Å; I45-N49 VanDerWaalsContact O-CG 3.26Å; I45-N49 PolarHBondContact O-N 3.12Å; S46-N49 PolarHBondContact O-N 3.11Å; N49-Q54 PolarHBondContact O-NE2 3.05Å; N49-Q54 VanDerWaalsContact O-NE2 3.08Å; N49-N87 PolarHBondContact ND2-O 2.92Å; N49-R89 HydrophobicContact CB-CG 4.49Å; N49-R89 PolarHBondContact O-NH1 3Å; N49-R89 WeakPolarHBondContact OD1-CB 3.3Å; N49-R89 WeakPolarHBondContact OD1-CG 3.38Å; N49-R89 PolarHBondContact OD1-N 3.22Å
50	A	98	Very high	98.1	Very high	76 Å²	76	30.6 Å²	30.6	63%	0.628	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-4.8	177	0	0	0	0	0	113.8	S46 A47 I48 N52	S46-A50 WeakPolarHBondContact O-CB 3.27Å; S46-A50 PolarHBondContact O-N 2.82Å; A47-A50 PolarHBondContact O-N 2.82Å; I48-A50 PolarHBondContact O-N 2.86Å; A50-N52 PolarHBondContact O-N 3.23Å
51	L	97.7	Very high	98.1	Very high	41 Å²	41	30.6 Å²	30.6	22%	0.215	18%	0.183	C	C	.	.	S	Bend	trans	-59.7	134	172.1	-69.2	171.7	0	0	0	110.3	I48 E53 Q54 P55 Y253 L255	I48-L51 HydrophobicContact CG2-CD1 4.4Å; I48-L51 VanDerWaalsContact O-CB 3.29Å; I48-L51 WeakPolarHBondContact O-CB 3.36Å; I48-L51 WeakPolarHBondContact O-CG 3.49Å; I48-L51 PolarHBondContact O-N 3.46Å; L51-E53 VanDerWaalsContact CB-O 3.24Å; L51-E53 WeakPolarHBondContact CB-O 3.17Å; L51-E53 PolarHBondContact O-N 2.91Å; L51-Q54 PolarHBondContact O-NE2 2.87Å; L51-P55 HydrophobicContact CD1-CG 3.8Å; L51-Y253 HydrophobicContact CD1-CE2 4.39Å; L51-Y253 WeakPolarHBondContact CD2-OH 3.18Å; L51-L255 HydrophobicContact CD1-CD1 4.06Å
52	N	94.6	Very high	98.1	Very high	151 Å²	151	30.6 Å²	30.6	81%	0.807	18%	0.183	S	C	*	.	S	Bend	trans	-55	-33.3	177.3	-71.7	-28.5	0	0	0	112.6	A50	A50-N52 PolarHBondContact O-N 3.23Å
53	E	95.1	Very high	98.1	Very high	64 Å²	64	28.6 Å²	28.6	30%	0.299	17%	0.172	S	C	.	.	S	Bend	trans	-119.1	127.9	172	-177.2	-168.1	158.3	0	0	107.7	Y12 L51	Y12-E53 VanDerWaalsContact CE1-OE1 3.3Å; Y12-E53 WeakPolarHBondContact CE1-OE1 3.44Å; Y12-E53 WeakPolarHBondContact CE1-OE2 3.35Å; Y12-E53 PolarHBondContact OH-OE1 2.88Å; Y12-E53 PolarHBondContact OH-OE2 2.75Å; L51-E53 VanDerWaalsContact CB-O 3.24Å; L51-E53 WeakPolarHBondContact CB-O 3.17Å; L51-E53 PolarHBondContact O-N 2.91Å
54	Q	97.8	Very high	98.2	Very high	60 Å²	60	27.2 Å²	27.2	28%	0.28	17%	0.165	S	C	.	.			trans	-76.1	134.2	179.3	-74.6	-60.4	-62.8	0	0	110.8	I48 N49 L51	I48-Q54 PolarHBondContact O-NE2 3.13Å; I48-Q54 VanDerWaalsContact O-NE2 3.1Å; N49-Q54 PolarHBondContact O-NE2 3.05Å; N49-Q54 VanDerWaalsContact O-NE2 3.08Å; L51-Q54 PolarHBondContact O-NE2 2.87Å
55	P	98.6	Very high	98.2	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.026	17%	0.165	C	C	.	.			trans	-59.8	145.8	170.5	-17.6	29.6	0	0	0	110.7	S15 A17 I48 L51 F57 A90 L255	S15-P55 CarbonylContact O-C 3.51Å; S15-P55 WeakPolarHBondContact O-CA 3.45Å; A17-P55 HydrophobicContact CB-CB 4.42Å; A17-P55 HydrophobicContact CB-CG 4.16Å; I48-P55 HydrophobicContact CG2-CG 3.98Å; L51-P55 HydrophobicContact CD1-CG 3.8Å; P55-F57 PolarHBondContact O-N 2.88Å; P55-A90 WeakPolarHBondContact O-CB 3.31Å; P55-L255 HydrophobicContact CG-CD1 4.46Å
56	S	98.6	Very high	98.1	Very high	43 Å²	43	29.1 Å²	29.1	30%	0.301	17%	0.174	S	C	.	.	S	Bend	trans	-61.8	-33.5	177.4	-71.9	0	0	0	0	112.3	S15 L127	S15-S56 PolarHBondContact O-N 2.8Å; S56-L127 WeakPolarHBondContact OG-CD2 3.3Å
57	F	98.9	Very high	98	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	167.7	173.6	61.8	-92.9	0	0	0	110.5	F16 A17 P55 A59 R91 L93 I124 Q126 F131 F133	F16-F57 WeakPolarHBondContact CA-O 3.42Å; F16-F57 HydrophobicContact CB-CD1 4.03Å; F16-F57 HydrophobicContact CB-CD2 3.85Å; F16-F57 HydrophobicContact CB-CE1 3.72Å; F16-F57 HydrophobicContact CB-CE2 3.53Å; F16-F57 HydrophobicContact CB-CG 4.09Å; F16-F57 HydrophobicContact CB-CZ 3.46Å; F16-F57 VanDerWaalsContact CB-CZ 3.46Å; F16-F57 WeakPolarHBondContact CB-O 3.15Å; F16-F57 AromaticContact CD1-CZ 3.99Å; F16-F57 HydrophobicContact CD1-CZ 3.99Å; F16-F57 HydrophobicContact CD2-CD2 4.42Å; F16-F57 AromaticContact CD2-CE2 3.54Å; F16-F57 HydrophobicContact CD2-CE2 3.54Å; F16-F57 AromaticContact CD2-CZ 3.76Å; F16-F57 HydrophobicContact CD2-CZ 3.76Å; F16-F57 HydrophobicContact CE2-CE2 4.35Å; F16-F57 HydrophobicContact CE2-CZ 4.44Å; F16-F57 HydrophobicContact CG-CD2 4.44Å; F16-F57 HydrophobicContact CG-CE1 4.14Å; F16-F57 AromaticContact CG-CE2 3.66Å; F16-F57 HydrophobicContact CG-CE2 3.66Å; F16-F57 AromaticContact CG-CZ 3.48Å; F16-F57 HydrophobicContact CG-CZ 3.48Å; F16-F57 VanDerWaalsContact CG-CZ 3.48Å; A17-F57 PolarHBondContact N-O 2.84Å; A17-F57 VanDerWaalsContact N-O 3.08Å; P55-F57 PolarHBondContact O-N 2.88Å; F57-A59 HydrophobicContact CD2-CB 4.42Å; F57-A59 HydrophobicContact CE2-CB 4.26Å; F57-R91 CarbonylContact C-O 3.55Å; F57-R91 WeakPolarHBondContact CA-O 3.36Å; F57-R91 HydrophobicContact CB-CB 4.37Å; F57-R91 VanDerWaalsContact CB-O 3.3Å; F57-R91 WeakPolarHBondContact CB-O 3.43Å; F57-L93 HydrophobicContact CB-CD1 3.86Å; F57-L93 HydrophobicContact CB-CG 4.24Å; F57-L93 HydrophobicContact CD1-CD1 4.37Å; F57-L93 HydrophobicContact CD2-CD1 3.53Å; F57-L93 HydrophobicContact CD2-CG 4.39Å; F57-L93 HydrophobicContact CE2-CD1 4.13Å; F57-L93 HydrophobicContact CG-CD1 3.67Å; F57-I124 HydrophobicContact CD1-CD1 3.97Å; F57-I124 HydrophobicContact CE1-CD1 3.95Å; F57-I124 HydrophobicContact CG-CD1 4.43Å; F57-I124 HydrophobicContact CZ-CD1 4.39Å; F57-Q126 HydrophobicContact CD1-CG 4.12Å; F57-Q126 HydrophobicContact CE1-CB 4.31Å; F57-Q126 HydrophobicContact CE1-CG 4.2Å; F57-F131 HydrophobicContact CE1-CD2 4.11Å; F57-F131 HydrophobicContact CE1-CE1 4.48Å; F57-F131 AromaticContact CE1-CE2 3.96Å; F57-F131 HydrophobicContact CE1-CE2 3.96Å; F57-F131 HydrophobicContact CE1-CG 4.42Å; F57-F131 HydrophobicContact CE1-CZ 4.16Å; F57-F131 AromaticContact CZ-CD1 3.86Å; F57-F131 HydrophobicContact CZ-CD1 3.86Å; F57-F131 HydrophobicContact CZ-CD2 4.14Å; F57-F131 AromaticContact CZ-CE1 3.88Å; F57-F131 HydrophobicContact CZ-CE1 3.88Å; F57-F131 HydrophobicContact CZ-CE2 4.13Å; F57-F131 AromaticContact CZ-CG 3.99Å; F57-F131 HydrophobicContact CZ-CG 3.99Å; F57-F131 HydrophobicContact CZ-CZ 4.02Å; F57-F133 HydrophobicContact CE2-CZ 4.18Å
58	V	98.9	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.1	168.2	-177.1	0	0	0	0	109.1	A17 I19 I48 F60 L88 A90 R91 P92 L93	A17-V58 HydrophobicContact CB-CG1 4.27Å; A17-V58 HydrophobicContact CB-CG2 4.04Å; A17-V58 CarbonylContact O-C 3.49Å; A17-V58 VanDerWaalsContact O-CA 3.29Å; A17-V58 WeakPolarHBondContact O-CA 3.33Å; I19-V58 HydrophobicContact CD1-CG1 3.9Å; I19-V58 HydrophobicContact CG1-CG1 4Å; I48-V58 HydrophobicContact CD1-CG1 4.38Å; I48-V58 HydrophobicContact CD1-CG2 4.47Å; I48-V58 HydrophobicContact CG2-CG2 4.21Å; V58-F60 HydrophobicContact CB-CE2 4.42Å; V58-F60 HydrophobicContact CG1-CD2 4.39Å; V58-F60 HydrophobicContact CG1-CE2 3.98Å; V58-F60 HydrophobicContact CG1-CZ 4.47Å; V58-L88 HydrophobicContact CB-CD2 3.67Å; V58-L88 HydrophobicContact CG1-CD2 4.22Å; V58-L88 HydrophobicContact CG2-CD1 4.02Å; V58-L88 HydrophobicContact CG2-CD2 3.64Å; V58-L88 HydrophobicContact CG2-CG 4.19Å; V58-A90 HydrophobicContact CG2-CB 3.88Å; V58-R91 PolarHBondContact N-O 3.08Å; V58-P92 CarbonylContact O-C 3.58Å; V58-P92 WeakPolarHBondContact O-CA 3.26Å; V58-L93 PolarHBondContact O-N 3.37Å
59	A	98.9	Very high	97.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.5	175.1	0	0	0	0	0	110.4	A17 I18 I19 F57 V61 L93 F133 L174	A17-A59 PolarHBondContact O-N 2.79Å; I18-A59 CarbonylContact C-O 3.49Å; I18-A59 VanDerWaalsContact CA-O 3.31Å; I18-A59 WeakPolarHBondContact CA-O 3.46Å; I19-A59 PolarHBondContact N-O 3.46Å; F57-A59 HydrophobicContact CD2-CB 4.42Å; F57-A59 HydrophobicContact CE2-CB 4.26Å; A59-V61 HydrophobicContact CB-CG1 4.41Å; A59-L93 CarbonylContact C-O 3.59Å; A59-L93 WeakPolarHBondContact CA-O 3.24Å; A59-F133 HydrophobicContact CB-CE1 3.88Å; A59-F133 HydrophobicContact CB-CZ 4.4Å; A59-L174 HydrophobicContact CB-CD2 3.42Å; A59-L174 VanDerWaalsContact CB-CD2 3.42Å
60	F	98.9	Very high	97.6	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	108.7	167.8	-69.4	-100.2	0	0	0	108.2	I19 P22 L41 V58 G62 L64 F81 V85 L88 P92 L93 F94 L95	I19-F60 HydrophobicContact CB-CD1 3.9Å; I19-F60 HydrophobicContact CB-CE1 3.93Å; I19-F60 HydrophobicContact CB-CG 4.46Å; I19-F60 HydrophobicContact CB-CZ 4.5Å; I19-F60 HydrophobicContact CD1-CE1 3.81Å; I19-F60 HydrophobicContact CD1-CZ 3.77Å; I19-F60 HydrophobicContact CG1-CE1 4.47Å; I19-F60 HydrophobicContact CG2-CD1 3.69Å; I19-F60 HydrophobicContact CG2-CE1 3.68Å; I19-F60 VanDerWaalsContact O-CA 3.27Å; I19-F60 WeakPolarHBondContact O-CA 3.37Å; P22-F60 HydrophobicContact CG-CD1 4.37Å; L41-F60 HydrophobicContact CD1-CE1 4.01Å; V58-F60 HydrophobicContact CB-CE2 4.42Å; V58-F60 HydrophobicContact CG1-CD2 4.39Å; V58-F60 HydrophobicContact CG1-CE2 3.98Å; V58-F60 HydrophobicContact CG1-CZ 4.47Å; F60-G62 VanDerWaalsContact C-N 3.29Å; F60-G62 PolarHBondContact O-N 2.59Å; F60-G62 VanDerWaalsContact O-N 3.16Å; F60-L64 HydrophobicContact CB-CD2 3.58Å; F60-L64 HydrophobicContact CD1-CD2 4.41Å; F60-L64 HydrophobicContact CG-CD2 4.37Å; F60-F81 AromaticContact CD1-CE2 3.92Å; F60-F81 HydrophobicContact CD1-CE2 3.92Å; F60-F81 AromaticContact CD1-CZ 3.76Å; F60-F81 HydrophobicContact CD1-CZ 3.76Å; F60-F81 AromaticContact CE1-CE2 3.86Å; F60-F81 HydrophobicContact CE1-CE2 3.86Å; F60-F81 AromaticContact CE1-CZ 3.9Å; F60-F81 HydrophobicContact CE1-CZ 3.9Å; F60-F81 HydrophobicContact CG-CZ 4.25Å; F60-V85 HydrophobicContact CE1-CG2 4.09Å; F60-V85 HydrophobicContact CE2-CG1 4.33Å; F60-V85 HydrophobicContact CE2-CG2 4.35Å; F60-V85 HydrophobicContact CZ-CG1 4.39Å; F60-V85 HydrophobicContact CZ-CG2 3.73Å; F60-L88 HydrophobicContact CE2-CD2 4.14Å; F60-L88 HydrophobicContact CZ-CD2 4.46Å; F60-P92 HydrophobicContact CD2-CB 4.41Å; F60-P92 HydrophobicContact CE2-CB 3.99Å; F60-L93 PolarHBondContact N-O 3.1Å; F60-F94 HydrophobicContact CB-CD1 3.86Å; F60-F94 HydrophobicContact CB-CE1 4.49Å; F60-F94 AromaticContact CD2-CD1 3.85Å; F60-F94 HydrophobicContact CD2-CD1 3.85Å; F60-F94 AromaticContact CD2-CE1 3.7Å; F60-F94 HydrophobicContact CD2-CE1 3.7Å; F60-F94 HydrophobicContact CE2-CE1 4.09Å; F60-F94 AromaticContact CG-CD1 3.96Å; F60-F94 HydrophobicContact CG-CD1 3.96Å; F60-F94 HydrophobicContact CG-CE1 4.09Å; F60-L95 PolarHBondContact O-N 2.59Å
61	V	98.8	Very high	97.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	46.3	-168.6	-66.3	0	0	0	0	113.3	I18 I19 A20 A59 L95 L174 H176	I18-V61 HydrophobicContact CG2-CB 4.4Å; I18-V61 HydrophobicContact CG2-CG1 3.69Å; I18-V61 HydrophobicContact CG2-CG2 3.77Å; I19-V61 PolarHBondContact O-N 3.07Å; A20-V61 HydrophobicContact CB-CG2 3.54Å; A59-V61 HydrophobicContact CB-CG1 4.41Å; V61-L95 HydrophobicContact CB-CD1 4.47Å; V61-L95 HydrophobicContact CG1-CD1 4.22Å; V61-L174 HydrophobicContact CG1-CB 4.4Å; V61-L174 HydrophobicContact CG1-CD2 4.14Å; V61-H176 VanDerWaalsContact O-CA 3.31Å; V61-H176 WeakPolarHBondContact O-CA 3.05Å; V61-H176 WeakPolarHBondContact O-CB 3.45Å; V61-H176 PolarHBondContact O-ND1 3.01Å
62	G	98.5	Very high	97.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	92.1	173.5	175.1	0	0	0	0	0	115.7	D21 F60 L95 H176	D21-G62 WeakPolarHBondContact CA-O 3.25Å; D21-G62 PolarHBondContact N-O 3.26Å; F60-G62 VanDerWaalsContact C-N 3.29Å; F60-G62 PolarHBondContact O-N 2.59Å; F60-G62 VanDerWaalsContact O-N 3.16Å; G62-L95 VanDerWaalsContact CA-O 3.29Å; G62-L95 WeakPolarHBondContact CA-O 3.4Å; G62-L95 PolarHBondContact N-O 2.73Å; G62-H176 WeakPolarHBondContact CA-ND1 3.33Å
63	D	98.4	Very high	97.6	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.011	17%	0.169	C	C	.	.			trans	48.6	56.7	-172.8	-76	0.1	0	0	0	111.8	D21 P22 Q23 T65 G97 N98 H99 D100 H176	D21-D63 CarbonylContact C-O 3.57Å; D21-D63 HydrophobicContact CB-CB 4.23Å; P22-D63 WeakPolarHBondContact CD-O 3.49Å; Q23-D63 WeakPolarHBondContact CA-O 3.22Å; Q23-D63 HydrophobicContact CB-CB 4.49Å; Q23-D63 WeakPolarHBondContact CB-O 3.47Å; Q23-D63 HydrophobicContact CG-CB 4.24Å; Q23-D63 PolarHBondContact N-O 3.13Å; D63-T65 VanDerWaalsContact C-N 3.27Å; D63-T65 PolarHBondContact O-N 3.37Å; D63-G97 VanDerWaalsContact OD1-CA 3.25Å; D63-G97 WeakPolarHBondContact OD1-CA 3.19Å; D63-N98 PolarHBondContact OD1-N 2.72Å; D63-H99 HydrophobicContact CB-CB 4.47Å; D63-H99 WeakPolarHBondContact OD1-CB 3.42Å; D63-H99 IonicContact OD1-CD2 2.73Å; D63-H99 IonicContact OD1-CG 2.93Å; D63-H99 PolarHBondContact OD1-N 3.01Å; D63-H99 IonicContact OD2-CD2 3.44Å; D63-H99 PolarHBondContact OD2-CD2 2.84Å; D63-H99 IonicContact OD2-CG 3.43Å; D63-D100 WeakPolarHBondContact CA-OD2 3.29Å; D63-D100 PolarHBondContact N-OD2 3.09Å; D63-H176 IonicContact OD1-CE1 3.82Å; D63-H176 IonicContact OD1-NE2 2.6Å; D63-H176 PolarHBondContact OD1-NE2 3.17Å; D63-H176 IonicContact OD2-CE1 3.46Å; D63-H176 PolarHBondContact OD2-CE1 2.82Å; D63-H176 IonicContact OD2-NE2 2.81Å; D63-H176 PolarHBondContact OD2-NE2 3.47Å
64	L	98.8	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.			trans	-68	-33	-177.1	-50.3	-179.9	0	0	0	111.4	Q23 F60 F81 F94 D100 Y113 F117	Q23-L64 PolarHBondContact N-O 3.27Å; F60-L64 HydrophobicContact CB-CD2 3.58Å; F60-L64 HydrophobicContact CD1-CD2 4.41Å; F60-L64 HydrophobicContact CG-CD2 4.37Å; L64-F81 HydrophobicContact CB-CE1 4.35Å; L64-F81 HydrophobicContact CB-CE2 4.36Å; L64-F81 HydrophobicContact CB-CZ 4.19Å; L64-F81 HydrophobicContact CD1-CE1 4.32Å; L64-F81 HydrophobicContact CD1-CZ 4.46Å; L64-F81 HydrophobicContact CD2-CE2 4.49Å; L64-F81 HydrophobicContact CD2-CZ 4.02Å; L64-F81 HydrophobicContact CG-CZ 4.45Å; L64-F94 HydrophobicContact CD1-CB 4.11Å; L64-F94 HydrophobicContact CD1-CD1 4.13Å; L64-F94 HydrophobicContact CD1-CG 4.37Å; L64-F94 HydrophobicContact CD2-CD1 4.49Å; L64-D100 WeakPolarHBondContact CB-OD1 3.39Å; L64-D100 PolarHBondContact N-OD1 2.79Å; L64-D100 PolarHBondContact N-OD2 3.24Å; L64-D100 VanDerWaalsContact N-OD2 3.13Å; L64-Y113 HydrophobicContact CD1-CE2 4.35Å; L64-F117 HydrophobicContact CB-CE1 4.45Å; L64-F117 HydrophobicContact CB-CZ 4.27Å; L64-F117 HydrophobicContact CD1-CD1 3.5Å; L64-F117 HydrophobicContact CD1-CD2 4.32Å; L64-F117 HydrophobicContact CD1-CE1 3.36Å; L64-F117 HydrophobicContact CD1-CE2 4.18Å; L64-F117 HydrophobicContact CD1-CG 4Å; L64-F117 HydrophobicContact CD1-CZ 3.71Å
65	T	98.3	Very high	97.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-140.3	151.9	-177.6	51.4	0	0	0	0	109.7	D63 K74 Q77 I78 F81 H99 D100	D63-T65 VanDerWaalsContact C-N 3.27Å; D63-T65 PolarHBondContact O-N 3.37Å; T65-K74 WeakPolarHBondContact OG1-CE 3.46Å; T65-K74 PolarHBondContact OG1-NZ 3.04Å; T65-Q77 HydrophobicContact CG2-CB 3.71Å; T65-I78 HydrophobicContact CG2-CG1 3.92Å; T65-F81 HydrophobicContact CG2-CB 4.35Å; T65-H99 WeakPolarHBondContact O-CB 3.35Å; T65-D100 PolarHBondContact N-OD1 3.27Å; T65-D100 PolarHBondContact OG1-OD1 3.28Å
66	H	97.5	Very high	97.7	Very high	42 Å²	42	32.4 Å²	32.4	19%	0.194	18%	0.179	C	C	.	.			trans	-87.4	-38.6	-173.8	-173.4	63	0	0	0	114	Q23 F24 G25 L26 Q77 H99	Q23-H66 HydrophobicContact CG-CB 3.87Å; Q23-H66 PolarHBondContact NE2-ND1 3.02Å; F24-H66 WeakPolarHBondContact O-CB 3.32Å; F24-H66 PolarHBondContact O-N 2.99Å; G25-H66 PolarHBondContact O-CD2 3.41Å; L26-H66 HydrophobicContact CB-CB 4.3Å; H66-Q77 VanDerWaalsContact N-OE1 3.09Å; H66-H99 AromaticContact CE1-CE1 3.53Å; H66-H99 AromaticContact CE1-ND1 3.86Å; H66-H99 AromaticContact ND1-CE1 3.52Å; H66-H99 AromaticContact ND1-ND1 3.47Å; H66-H99 PolarHBondContact ND1-ND1 2.88Å; H66-H99 PolarHBondContact O-ND1 2.92Å
67	A	96.5	Very high	97.7	Very high	11 Å²	11	30.7 Å²	30.7	9%	0.091	17%	0.166	C	C	.	.	S	Bend	trans	-60.7	141.2	-174.4	0	0	0	0	0	111.4	E73 K74 Q77	A67-E73 HydrophobicContact CB-CB 4.02Å; A67-K74 HydrophobicContact CB-CB 4.27Å; A67-K74 HydrophobicContact CB-CD 4.38Å; A67-K74 WeakPolarHBondContact O-CD 3.49Å; A67-K74 WeakPolarHBondContact O-CE 3.39Å; A67-K74 PolarHBondContact O-NZ 3.28Å; A67-Q77 VanDerWaalsContact CB-OE1 3.26Å
68	E	94.7	Very high	97.6	Very high	74 Å²	74	31 Å²	31	35%	0.346	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-58.7	154	174	-73.1	-61.6	140.7	0	0	111.4	F70 T71	E68-F70 PolarHBondContact O-N 3.18Å; E68-T71 HydrophobicContact CB-CG2 3.84Å; E68-T71 PolarHBondContact O-N 3.08Å
69	P	96	Very high	97.6	Very high	20 Å²	20	37.1 Å²	37.1	13%	0.13	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	136.9	170.3	-24	33.5	0	0	0	111.4	T71 I101	P69-T71 VanDerWaalsContact C-N 3.32Å; P69-T71 PolarHBondContact O-N 3.1Å; P69-I101 VanDerWaalsContact CG-C 3.47Å
70	F	96.8	Very high	97.6	Very high	136 Å²	136	39.4 Å²	39.4	60%	0.596	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	6.8	175.8	-42.8	-67.7	0	0	0	117.4	E68 N108 A112	E68-F70 PolarHBondContact O-N 3.18Å; F70-N108 HydrophobicContact CE2-CB 4.27Å; F70-N108 HydrophobicContact CZ-CB 3.79Å; F70-A112 HydrophobicContact CE1-CB 3.99Å; F70-A112 HydrophobicContact CZ-CB 4.18Å
71	T	96.5	Very high	97.6	Very high	54 Å²	54	39.4 Å²	39.4	33%	0.331	21%	0.209	S	C	.	.	S	Bend	trans	-75	164.2	165.9	81.3	0	0	0	0	111.4	E68 P69 E73 K74	E68-T71 HydrophobicContact CB-CG2 3.84Å; E68-T71 PolarHBondContact O-N 3.08Å; P69-T71 VanDerWaalsContact C-N 3.32Å; P69-T71 PolarHBondContact O-N 3.1Å; T71-E73 VanDerWaalsContact CB-OE2 3.25Å; T71-E73 WeakPolarHBondContact CB-OE2 3.46Å; T71-E73 PolarHBondContact O-N 3.05Å; T71-E73 PolarHBondContact OG1-OE2 3.18Å; T71-K74 PolarHBondContact O-N 3.43Å
72	S	95.6	Very high	97.6	Very high	104 Å²	104	41.7 Å²	41.7	73%	0.727	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.9	179.7	26.9	0	0	0	0	113.5
73	E	96.7	Very high	97.6	Very high	45 Å²	45	43.3 Å²	43.3	21%	0.21	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-27	-173.2	-57.4	66.1	-137.1	0	0	112.1	N32 A67 T71 Q75 A76 Q77	N32-E73 WeakPolarHBondContact OD1-CG 3.46Å; A67-E73 HydrophobicContact CB-CB 4.02Å; T71-E73 VanDerWaalsContact CB-OE2 3.25Å; T71-E73 WeakPolarHBondContact CB-OE2 3.46Å; T71-E73 PolarHBondContact O-N 3.05Å; T71-E73 PolarHBondContact OG1-OE2 3.18Å; E73-Q75 VanDerWaalsContact C-N 3.34Å; E73-Q75 PolarHBondContact O-N 3.01Å; E73-A76 WeakPolarHBondContact O-CB 3.46Å; E73-A76 PolarHBondContact O-N 3.03Å; E73-Q77 PolarHBondContact O-N 3.06Å
74	K	97.6	Very high	97.6	Very high	11 Å²	11	43.2 Å²	43.2	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-52.7	-48.2	-170.7	-175.7	55.9	154.8	-161.9	0	112.9	T65 A67 T71 A76 Q77 I78 H99	T65-K74 WeakPolarHBondContact OG1-CE 3.46Å; T65-K74 PolarHBondContact OG1-NZ 3.04Å; A67-K74 HydrophobicContact CB-CB 4.27Å; A67-K74 HydrophobicContact CB-CD 4.38Å; A67-K74 WeakPolarHBondContact O-CD 3.49Å; A67-K74 WeakPolarHBondContact O-CE 3.39Å; A67-K74 PolarHBondContact O-NZ 3.28Å; T71-K74 PolarHBondContact O-N 3.43Å; K74-A76 PolarHBondContact O-N 3.41Å; K74-Q77 PolarHBondContact O-N 3.18Å; K74-I78 HydrophobicContact CD-CD1 4.08Å; K74-I78 HydrophobicContact CD-CG1 4.39Å; K74-I78 HydrophobicContact CG-CD1 3.99Å; K74-I78 VanDerWaalsContact O-CG1 3.25Å; K74-I78 WeakPolarHBondContact O-CG1 3.43Å; K74-I78 PolarHBondContact O-N 3.45Å; K74-H99 PolarHBondContact NZ-O 2.9Å
75	Q	98	Very high	97.6	Very high	98 Å²	98	43.5 Å²	43.5	46%	0.458	23%	0.232	S	C	.	.	H	α-helix	trans	-68.5	-35.5	-178.8	-69.1	-59.4	-43.1	0	0	112.6	E73 I78 Q79	E73-Q75 VanDerWaalsContact C-N 3.34Å; E73-Q75 PolarHBondContact O-N 3.01Å; Q75-I78 PolarHBondContact O-N 3.02Å; Q75-Q79 WeakPolarHBondContact O-CB 3.4Å; Q75-Q79 VanDerWaalsContact O-CG 3.23Å; Q75-Q79 WeakPolarHBondContact O-CG 3.37Å; Q75-Q79 PolarHBondContact O-N 3.38Å
76	A	98.2	Very high	97.6	Very high	37 Å²	37	52.9 Å²	52.9	31%	0.306	27%	0.267	S	S	.	.	H	α-helix	trans	-66.8	-43.3	176.7	0	0	0	0	0	111.2	W34 E73 K74 I78 Q79 D80	W34-A76 HydrophobicContact CH2-CB 3.65Å; W34-A76 HydrophobicContact CZ2-CB 3.83Å; E73-A76 WeakPolarHBondContact O-CB 3.46Å; E73-A76 PolarHBondContact O-N 3.03Å; K74-A76 PolarHBondContact O-N 3.41Å; A76-I78 PolarHBondContact O-N 3.09Å; A76-Q79 PolarHBondContact O-N 3.37Å; A76-D80 PolarHBondContact O-N 2.91Å
77	Q	98.4	Very high	97.7	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-44.1	174.8	-67.6	176.3	5.3	0	0	111.9	F24 W34 T65 H66 A67 E73 K74 Q79 D80 F81	F24-Q77 HydrophobicContact CB-CB 4.21Å; F24-Q77 HydrophobicContact CB-CG 4.4Å; F24-Q77 PolarHBondContact O-NE2 3.05Å; F24-Q77 PolarHBondContact O-OE1 3.4Å; W34-Q77 HydrophobicContact CD2-CG 4.02Å; W34-Q77 HydrophobicContact CE3-CG 3.75Å; W34-Q77 HydrophobicContact CH2-CG 4.22Å; W34-Q77 HydrophobicContact CZ2-CG 4.46Å; W34-Q77 HydrophobicContact CZ3-CG 3.86Å; T65-Q77 HydrophobicContact CG2-CB 3.71Å; H66-Q77 VanDerWaalsContact N-OE1 3.09Å; A67-Q77 VanDerWaalsContact CB-OE1 3.26Å; E73-Q77 PolarHBondContact O-N 3.06Å; K74-Q77 PolarHBondContact O-N 3.18Å; Q77-Q79 PolarHBondContact O-N 3.27Å; Q77-D80 PolarHBondContact O-N 2.85Å; Q77-F81 VanDerWaalsContact O-CB 3.26Å; Q77-F81 WeakPolarHBondContact O-CB 3.43Å; Q77-F81 PolarHBondContact O-N 2.94Å
78	I	98.7	Very high	97.8	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.051	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-44.2	177.2	-70	170.6	0	0	0	110.9	T65 K74 Q75 A76 F81 F82 F117	T65-I78 HydrophobicContact CG2-CG1 3.92Å; K74-I78 HydrophobicContact CD-CD1 4.08Å; K74-I78 HydrophobicContact CD-CG1 4.39Å; K74-I78 HydrophobicContact CG-CD1 3.99Å; K74-I78 VanDerWaalsContact O-CG1 3.25Å; K74-I78 WeakPolarHBondContact O-CG1 3.43Å; K74-I78 PolarHBondContact O-N 3.45Å; Q75-I78 PolarHBondContact O-N 3.02Å; A76-I78 PolarHBondContact O-N 3.09Å; I78-F81 PolarHBondContact O-N 3.47Å; I78-F82 HydrophobicContact CG2-CD2 3.63Å; I78-F82 HydrophobicContact CG2-CE2 3.54Å; I78-F82 VanDerWaalsContact O-CD2 3.25Å; I78-F82 WeakPolarHBondContact O-CD2 3.46Å; I78-F82 PolarHBondContact O-N 3.43Å; I78-F117 HydrophobicContact CB-CZ 4.46Å; I78-F117 HydrophobicContact CD1-CE2 4Å; I78-F117 HydrophobicContact CD1-CZ 4.4Å; I78-F117 HydrophobicContact CG1-CE2 4.02Å; I78-F117 HydrophobicContact CG1-CZ 3.91Å; I78-F117 HydrophobicContact CG2-CE2 4.38Å; I78-F117 HydrophobicContact CG2-CZ 3.99Å
79	Q	98.5	Very high	97.9	Very high	128 Å²	128	61.2 Å²	61.2	60%	0.598	30%	0.3	S	S	*	.	H	α-helix	trans	-62.3	-45.8	179.5	-75	172.6	17.3	0	0	112	Q75 A76 Q77 F82 S83	Q75-Q79 WeakPolarHBondContact O-CB 3.4Å; Q75-Q79 VanDerWaalsContact O-CG 3.23Å; Q75-Q79 WeakPolarHBondContact O-CG 3.37Å; Q75-Q79 PolarHBondContact O-N 3.38Å; A76-Q79 PolarHBondContact O-N 3.37Å; Q77-Q79 PolarHBondContact O-N 3.27Å; Q79-F82 PolarHBondContact O-N 3.39Å; Q79-S83 PolarHBondContact O-N 3.32Å
80	D	98.6	Very high	98.1	Very high	48 Å²	48	60.6 Å²	60.6	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-70.8	-36.4	178.5	-98.2	-36.2	0	0	0	112.6	F24 W34 K38 A76 Q77 S83 C84	F24-D80 HydrophobicContact CD1-CB 4.23Å; F24-D80 HydrophobicContact CE1-CB 4.15Å; W34-D80 VanDerWaalsContact NE1-CB 3.34Å; W34-D80 PolarHBondContact NE1-OD2 3.28Å; K38-D80 IonicContact NZ-OD1 2.8Å; K38-D80 PolarHBondContact NZ-OD1 2.91Å; A76-D80 PolarHBondContact O-N 2.91Å; Q77-D80 PolarHBondContact O-N 2.85Å; D80-S83 WeakPolarHBondContact O-CB 3.48Å; D80-S83 PolarHBondContact O-N 2.65Å; D80-S83 VanDerWaalsContact O-N 3.12Å; D80-S83 PolarHBondContact O-OG 3.43Å; D80-C84 PolarHBondContact O-N 2.85Å; D80-C84 PolarHBondContact O-SG 2.8Å
81	F	98.8	Very high	98.1	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.7	-52.1	170.3	170.7	-99.4	0	0	0	110.7	P22 F24 L41 F60 L64 T65 Q77 I78 S83 C84 V85 F94 F117	P22-F81 HydrophobicContact CB-CE2 4.41Å; P22-F81 HydrophobicContact CG-CD2 4.23Å; P22-F81 HydrophobicContact CG-CE2 3.71Å; F24-F81 HydrophobicContact CD1-CB 4.31Å; F24-F81 HydrophobicContact CD2-CD2 4.42Å; F24-F81 HydrophobicContact CE1-CB 4.34Å; F24-F81 HydrophobicContact CE2-CD2 4.22Å; F24-F81 HydrophobicContact CG-CB 4.5Å; L41-F81 HydrophobicContact CD2-CD2 3.85Å; L41-F81 HydrophobicContact CD2-CE2 3.91Å; F60-F81 AromaticContact CD1-CE2 3.92Å; F60-F81 HydrophobicContact CD1-CE2 3.92Å; F60-F81 AromaticContact CD1-CZ 3.76Å; F60-F81 HydrophobicContact CD1-CZ 3.76Å; F60-F81 AromaticContact CE1-CE2 3.86Å; F60-F81 HydrophobicContact CE1-CE2 3.86Å; F60-F81 AromaticContact CE1-CZ 3.9Å; F60-F81 HydrophobicContact CE1-CZ 3.9Å; F60-F81 HydrophobicContact CG-CZ 4.25Å; L64-F81 HydrophobicContact CB-CE1 4.35Å; L64-F81 HydrophobicContact CB-CE2 4.36Å; L64-F81 HydrophobicContact CB-CZ 4.19Å; L64-F81 HydrophobicContact CD1-CE1 4.32Å; L64-F81 HydrophobicContact CD1-CZ 4.46Å; L64-F81 HydrophobicContact CD2-CE2 4.49Å; L64-F81 HydrophobicContact CD2-CZ 4.02Å; L64-F81 HydrophobicContact CG-CZ 4.45Å; T65-F81 HydrophobicContact CG2-CB 4.35Å; Q77-F81 VanDerWaalsContact O-CB 3.26Å; Q77-F81 WeakPolarHBondContact O-CB 3.43Å; Q77-F81 PolarHBondContact O-N 2.94Å; I78-F81 PolarHBondContact O-N 3.47Å; F81-S83 PolarHBondContact O-N 3.41Å; F81-C84 WeakPolarHBondContact O-CB 3.37Å; F81-C84 PolarHBondContact O-N 2.68Å; F81-C84 VanDerWaalsContact O-N 3.1Å; F81-V85 HydrophobicContact CD1-CG2 4.24Å; F81-V85 HydrophobicContact CD2-CG2 4.27Å; F81-V85 HydrophobicContact CE1-CG2 3.76Å; F81-V85 HydrophobicContact CE2-CG2 3.79Å; F81-V85 HydrophobicContact CG-CG2 4.48Å; F81-V85 HydrophobicContact CZ-CG2 3.53Å; F81-V85 WeakPolarHBondContact O-CG2 3.5Å; F81-V85 PolarHBondContact O-N 3.48Å; F81-F94 HydrophobicContact CE1-CD1 4.11Å; F81-F94 AromaticContact CE1-CE1 3.64Å; F81-F94 HydrophobicContact CE1-CE1 3.64Å; F81-F94 HydrophobicContact CE1-CZ 4.32Å; F81-F94 HydrophobicContact CZ-CD1 4.13Å; F81-F94 AromaticContact CZ-CE1 3.74Å; F81-F94 HydrophobicContact CZ-CE1 3.74Å; F81-F117 AromaticContact CD1-CE1 3.85Å; F81-F117 HydrophobicContact CD1-CE1 3.85Å; F81-F117 HydrophobicContact CD1-CZ 4.39Å; F81-F117 AromaticContact CE1-CE1 3.75Å; F81-F117 HydrophobicContact CE1-CE1 3.75Å
82	F	98.8	Very high	98.2	Very high	48 Å²	48	61.1 Å²	61.1	21%	0.211	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-29.9	176.4	-80.3	-56.1	0	0	0	113	I78 Q79 C84 V85 R86 F94 S116 F117	I78-F82 HydrophobicContact CG2-CD2 3.63Å; I78-F82 HydrophobicContact CG2-CE2 3.54Å; I78-F82 VanDerWaalsContact O-CD2 3.25Å; I78-F82 WeakPolarHBondContact O-CD2 3.46Å; I78-F82 PolarHBondContact O-N 3.43Å; Q79-F82 PolarHBondContact O-N 3.39Å; F82-C84 VanDerWaalsContact C-N 3.26Å; F82-C84 PolarHBondContact O-N 2.87Å; F82-V85 PolarHBondContact O-N 2.6Å; F82-R86 WeakPolarHBondContact O-CB 3.16Å; F82-R86 WeakPolarHBondContact O-CG 3.31Å; F82-R86 PolarHBondContact O-N 2.95Å; F82-F94 HydrophobicContact CD1-CZ 4.47Å; F82-F94 AromaticContact CE1-CE2 3.89Å; F82-F94 HydrophobicContact CE1-CE2 3.89Å; F82-F94 AromaticContact CE1-CZ 3.83Å; F82-F94 HydrophobicContact CE1-CZ 3.83Å; F82-S116 VanDerWaalsContact CZ-O 3.29Å; F82-S116 WeakPolarHBondContact CZ-O 3.48Å; F82-F117 HydrophobicContact CE1-CD1 4.09Å; F82-F117 HydrophobicContact CE1-CE1 4.1Å; F82-F117 HydrophobicContact CE2-CD1 4.06Å; F82-F117 AromaticContact CE2-CE1 3.73Å; F82-F117 HydrophobicContact CE2-CE1 3.73Å; F82-F117 HydrophobicContact CE2-CZ 4.25Å; F82-F117 AromaticContact CZ-CD1 3.38Å; F82-F117 HydrophobicContact CZ-CD1 3.38Å; F82-F117 AromaticContact CZ-CE1 3.43Å; F82-F117 HydrophobicContact CZ-CE1 3.43Å; F82-F117 VanDerWaalsContact CZ-CE1 3.43Å; F82-F117 HydrophobicContact CZ-CG 4.26Å; F82-F117 HydrophobicContact CZ-CZ 4.35Å
83	S	98.6	Very high	98.4	Very high	35 Å²	35	56.4 Å²	56.4	25%	0.245	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-37.2	174.7	85.2	0	0	0	0	112.2	K38 Q79 D80 F81	K38-S83 PolarHBondContact NZ-OG 3.1Å; Q79-S83 PolarHBondContact O-N 3.32Å; D80-S83 WeakPolarHBondContact O-CB 3.48Å; D80-S83 PolarHBondContact O-N 2.65Å; D80-S83 VanDerWaalsContact O-N 3.12Å; D80-S83 PolarHBondContact O-OG 3.43Å; F81-S83 PolarHBondContact O-N 3.41Å
84	C	98.6	Very high	98.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-73.1	-50.3	175.3	-50.6	0	0	0	0	110.3	L41 D42 I45 D80 F81 F82 R86 N87	L41-C84 HydrophobicContact CD2-CB 3.79Å; L41-C84 HydrophobicContact CG-CB 4.1Å; D42-C84 WeakPolarHBondContact OD1-CB 3.42Å; I45-C84 HydrophobicContact CD1-CB 4.12Å; I45-C84 VanDerWaalsContact CD1-O 3.29Å; I45-C84 WeakPolarHBondContact CD1-O 3.47Å; D80-C84 PolarHBondContact O-N 2.85Å; D80-C84 PolarHBondContact O-SG 2.8Å; F81-C84 WeakPolarHBondContact O-CB 3.37Å; F81-C84 PolarHBondContact O-N 2.68Å; F81-C84 VanDerWaalsContact O-N 3.1Å; F82-C84 VanDerWaalsContact C-N 3.26Å; F82-C84 PolarHBondContact O-N 2.87Å; C84-R86 PolarHBondContact O-N 2.97Å; C84-N87 WeakPolarHBondContact O-CB 3.43Å; C84-N87 PolarHBondContact O-N 3.17Å
85	V	98.6	Very high	98.5	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-28.6	-175.2	177.8	0	0	0	0	112.8	L41 F60 F81 F82 N87 L88 P92 F94	L41-V85 HydrophobicContact CD2-CG2 4.44Å; F60-V85 HydrophobicContact CE1-CG2 4.09Å; F60-V85 HydrophobicContact CE2-CG1 4.33Å; F60-V85 HydrophobicContact CE2-CG2 4.35Å; F60-V85 HydrophobicContact CZ-CG1 4.39Å; F60-V85 HydrophobicContact CZ-CG2 3.73Å; F81-V85 HydrophobicContact CD1-CG2 4.24Å; F81-V85 HydrophobicContact CD2-CG2 4.27Å; F81-V85 HydrophobicContact CE1-CG2 3.76Å; F81-V85 HydrophobicContact CE2-CG2 3.79Å; F81-V85 HydrophobicContact CG-CG2 4.48Å; F81-V85 HydrophobicContact CZ-CG2 3.53Å; F81-V85 WeakPolarHBondContact O-CG2 3.5Å; F81-V85 PolarHBondContact O-N 3.48Å; F82-V85 PolarHBondContact O-N 2.6Å; V85-N87 PolarHBondContact O-N 2.84Å; V85-N87 VanDerWaalsContact O-N 3.13Å; V85-L88 WeakPolarHBondContact O-CB 3.19Å; V85-L88 PolarHBondContact O-N 3.44Å; V85-P92 HydrophobicContact CG1-CB 3.57Å; V85-P92 HydrophobicContact CG1-CG 3.76Å; V85-F94 HydrophobicContact CG1-CE1 4.15Å; V85-F94 HydrophobicContact CG1-CZ 3.88Å; V85-F94 HydrophobicContact CG2-CE1 4.49Å
86	R	98.3	Very high	98.6	Very high	197 Å²	197	50.1 Å²	50.1	74%	0.743	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.1	172.8	-79.7	169.1	-172.4	158.6	4.4	114	F82 C84 L88	F82-R86 WeakPolarHBondContact O-CB 3.16Å; F82-R86 WeakPolarHBondContact O-CG 3.31Å; F82-R86 PolarHBondContact O-N 2.95Å; C84-R86 PolarHBondContact O-N 2.97Å; R86-L88 VanDerWaalsContact C-N 3.3Å
87	N	98.5	Very high	98.6	Very high	98 Å²	98	48.4 Å²	48.4	52%	0.524	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.2	177.9	-61.1	-41.2	0	0	0	112.9	I45 N49 C84 V85	I45-N87 HydrophobicContact CG2-CB 4.27Å; N49-N87 PolarHBondContact ND2-O 2.92Å; C84-N87 WeakPolarHBondContact O-CB 3.43Å; C84-N87 PolarHBondContact O-N 3.17Å; V85-N87 PolarHBondContact O-N 2.84Å; V85-N87 VanDerWaalsContact O-N 3.13Å
88	L	98.6	Very high	98.4	Very high	17 Å²	17	48.4 Å²	48.4	9%	0.089	22%	0.217	C	C	.	.			trans	-73.9	128.4	179.2	-169.5	63.4	0	0	0	110.8	I45 I48 V58 F60 V85 R86 A90 P92	I45-L88 HydrophobicContact CB-CD1 4.46Å; I45-L88 HydrophobicContact CG1-CD1 4.29Å; I45-L88 HydrophobicContact CG2-CB 4.17Å; I45-L88 HydrophobicContact CG2-CD1 3.98Å; I48-L88 HydrophobicContact CB-CD1 4.41Å; I48-L88 HydrophobicContact CG2-CD1 4.06Å; V58-L88 HydrophobicContact CB-CD2 3.67Å; V58-L88 HydrophobicContact CG1-CD2 4.22Å; V58-L88 HydrophobicContact CG2-CD1 4.02Å; V58-L88 HydrophobicContact CG2-CD2 3.64Å; V58-L88 HydrophobicContact CG2-CG 4.19Å; F60-L88 HydrophobicContact CE2-CD2 4.14Å; F60-L88 HydrophobicContact CZ-CD2 4.46Å; V85-L88 WeakPolarHBondContact O-CB 3.19Å; V85-L88 PolarHBondContact O-N 3.44Å; R86-L88 VanDerWaalsContact C-N 3.3Å; L88-A90 WeakPolarHBondContact CG-O 3.27Å; L88-P92 HydrophobicContact CD2-CB 4.18Å
89	R	98.5	Very high	98.3	Very high	186 Å²	186	49.2 Å²	49.2	70%	0.702	22%	0.221	S	C	*	.	S	Bend	trans	-75.5	-41	178.8	-71.2	175.5	171.4	175.6	-6.3	112.5	N49	N49-R89 HydrophobicContact CB-CG 4.49Å; N49-R89 PolarHBondContact O-NH1 3Å; N49-R89 WeakPolarHBondContact OD1-CB 3.3Å; N49-R89 WeakPolarHBondContact OD1-CG 3.38Å; N49-R89 PolarHBondContact OD1-N 3.22Å
90	A	98.6	Very high	98.3	Very high	7 Å²	7	43.4 Å²	43.4	6%	0.058	19%	0.194	C	C	.	.	S	Bend	trans	-73.8	152.3	175.6	0	0	0	0	0	110.8	P55 V58 L88 P92	P55-A90 WeakPolarHBondContact O-CB 3.31Å; V58-A90 HydrophobicContact CG2-CB 3.88Å; L88-A90 WeakPolarHBondContact CG-O 3.27Å; A90-P92 WeakPolarHBondContact O-CD 3.41Å
91	R	98.5	Very high	98.3	Very high	156 Å²	156	41.1 Å²	41.1	59%	0.589	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	122.6	179.5	175.8	178	170.8	173.4	-4.4	110.6	F57 V58 L93	F57-R91 CarbonylContact C-O 3.55Å; F57-R91 WeakPolarHBondContact CA-O 3.36Å; F57-R91 HydrophobicContact CB-CB 4.37Å; F57-R91 VanDerWaalsContact CB-O 3.3Å; F57-R91 WeakPolarHBondContact CB-O 3.43Å; V58-R91 PolarHBondContact N-O 3.08Å; R91-L93 HydrophobicContact CG-CD2 4.32Å
92	P	98.8	Very high	98	Very high	45 Å²	45	41.3 Å²	41.3	29%	0.292	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	140.6	172.4	32.5	-34.4	0	0	0	110.8	V58 F60 V85 L88 A90 F94	V58-P92 CarbonylContact O-C 3.58Å; V58-P92 WeakPolarHBondContact O-CA 3.26Å; F60-P92 HydrophobicContact CD2-CB 4.41Å; F60-P92 HydrophobicContact CE2-CB 3.99Å; V85-P92 HydrophobicContact CG1-CB 3.57Å; V85-P92 HydrophobicContact CG1-CG 3.76Å; L88-P92 HydrophobicContact CD2-CB 4.18Å; A90-P92 WeakPolarHBondContact O-CD 3.41Å; P92-F94 HydrophobicContact CB-CE1 4.01Å; P92-F94 HydrophobicContact CB-CE2 4.27Å; P92-F94 HydrophobicContact CB-CZ 3.63Å; P92-F94 HydrophobicContact CG-CE2 4.41Å; P92-F94 HydrophobicContact CG-CZ 4.01Å
93	L	98.8	Very high	97.7	Very high	6 Å²	6	41 Å²	41	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.5	173.9	-63.7	177.6	0	0	0	108.1	F57 V58 A59 F60 R91 Y122 I124 F133	F57-L93 HydrophobicContact CB-CD1 3.86Å; F57-L93 HydrophobicContact CB-CG 4.24Å; F57-L93 HydrophobicContact CD1-CD1 4.37Å; F57-L93 HydrophobicContact CD2-CD1 3.53Å; F57-L93 HydrophobicContact CD2-CG 4.39Å; F57-L93 HydrophobicContact CE2-CD1 4.13Å; F57-L93 HydrophobicContact CG-CD1 3.67Å; V58-L93 PolarHBondContact O-N 3.37Å; A59-L93 CarbonylContact C-O 3.59Å; A59-L93 WeakPolarHBondContact CA-O 3.24Å; F60-L93 PolarHBondContact N-O 3.1Å; R91-L93 HydrophobicContact CG-CD2 4.32Å; L93-Y122 HydrophobicContact CD2-CE2 4.37Å; L93-I124 HydrophobicContact CD1-CD1 3.42Å; L93-I124 VanDerWaalsContact CD1-CD1 3.42Å; L93-I124 HydrophobicContact CD1-CG1 4.45Å; L93-F133 HydrophobicContact CB-CE1 4.08Å; L93-F133 HydrophobicContact CB-CZ 4.21Å; L93-F133 HydrophobicContact CD1-CE1 4.31Å; L93-F133 HydrophobicContact CD1-CE2 4.11Å; L93-F133 HydrophobicContact CD1-CZ 3.59Å
94	F	98.8	Very high	97.2	Very high	22 Å²	22	47.3 Å²	47.3	10%	0.096	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.8	-171.4	-52	-69.3	0	0	0	111.6	F60 L64 F81 F82 V85 P92 F117 Y122	F60-F94 HydrophobicContact CB-CD1 3.86Å; F60-F94 HydrophobicContact CB-CE1 4.49Å; F60-F94 AromaticContact CD2-CD1 3.85Å; F60-F94 HydrophobicContact CD2-CD1 3.85Å; F60-F94 AromaticContact CD2-CE1 3.7Å; F60-F94 HydrophobicContact CD2-CE1 3.7Å; F60-F94 HydrophobicContact CE2-CE1 4.09Å; F60-F94 AromaticContact CG-CD1 3.96Å; F60-F94 HydrophobicContact CG-CD1 3.96Å; F60-F94 HydrophobicContact CG-CE1 4.09Å; L64-F94 HydrophobicContact CD1-CB 4.11Å; L64-F94 HydrophobicContact CD1-CD1 4.13Å; L64-F94 HydrophobicContact CD1-CG 4.37Å; L64-F94 HydrophobicContact CD2-CD1 4.49Å; F81-F94 HydrophobicContact CE1-CD1 4.11Å; F81-F94 AromaticContact CE1-CE1 3.64Å; F81-F94 HydrophobicContact CE1-CE1 3.64Å; F81-F94 HydrophobicContact CE1-CZ 4.32Å; F81-F94 HydrophobicContact CZ-CD1 4.13Å; F81-F94 AromaticContact CZ-CE1 3.74Å; F81-F94 HydrophobicContact CZ-CE1 3.74Å; F82-F94 HydrophobicContact CD1-CZ 4.47Å; F82-F94 AromaticContact CE1-CE2 3.89Å; F82-F94 HydrophobicContact CE1-CE2 3.89Å; F82-F94 AromaticContact CE1-CZ 3.83Å; F82-F94 HydrophobicContact CE1-CZ 3.83Å; V85-F94 HydrophobicContact CG1-CE1 4.15Å; V85-F94 HydrophobicContact CG1-CZ 3.88Å; V85-F94 HydrophobicContact CG2-CE1 4.49Å; P92-F94 HydrophobicContact CB-CE1 4.01Å; P92-F94 HydrophobicContact CB-CE2 4.27Å; P92-F94 HydrophobicContact CB-CZ 3.63Å; P92-F94 HydrophobicContact CG-CE2 4.41Å; P92-F94 HydrophobicContact CG-CZ 4.01Å; F94-F117 HydrophobicContact CB-CB 4.45Å; F94-F117 HydrophobicContact CB-CD1 4.43Å; F94-F117 HydrophobicContact CD1-CD1 4.48Å; F94-F117 HydrophobicContact CD2-CD1 4.22Å; F94-F117 HydrophobicContact CG-CD1 4.13Å; F94-Y122 PolarHBondContact N-OH 3.07Å; F94-Y122 VanDerWaalsContact N-OH 3.1Å; F94-Y122 WeakPolarHBondContact O-CE1 3.47Å; F94-Y122 PolarHBondContact O-OH 2.93Å
95	L	98.5	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	154	160.9	-81.3	163.3	0	0	0	109.1	F60 V61 G62 Y113 F133 L134 L174	F60-L95 PolarHBondContact O-N 2.59Å; V61-L95 HydrophobicContact CB-CD1 4.47Å; V61-L95 HydrophobicContact CG1-CD1 4.22Å; G62-L95 VanDerWaalsContact CA-O 3.29Å; G62-L95 WeakPolarHBondContact CA-O 3.4Å; G62-L95 PolarHBondContact N-O 2.73Å; L95-Y113 PolarHBondContact O-OH 3.41Å; L95-F133 HydrophobicContact CD1-CD1 3.88Å; L95-F133 HydrophobicContact CD2-CB 3.8Å; L95-F133 HydrophobicContact CD2-CD1 4.39Å; L95-F133 HydrophobicContact CG-CB 4.25Å; L95-F133 HydrophobicContact CG-CD1 3.89Å; L95-L134 VanDerWaalsContact CD2-O 3.3Å; L95-L134 WeakPolarHBondContact CD2-O 3.27Å; L95-L174 HydrophobicContact CD1-CB 3.91Å; L95-L174 WeakPolarHBondContact CD1-O 3.4Å
96	C	98.5	Very high	96.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	22%	0.224	C	C	.	.			trans	-83.3	144.7	167.1	53.2	0	0	0	0	110.2	D100 I101 Y113 N135 H176	C96-D100 HydrophobicContact CB-CB 4.04Å; C96-I101 HydrophobicContact CB-CG2 3.94Å; C96-Y113 HydrophobicContact CB-CD1 4.36Å; C96-Y113 HydrophobicContact CB-CD2 3.79Å; C96-Y113 HydrophobicContact CB-CE1 4.11Å; C96-Y113 HydrophobicContact CB-CE2 3.47Å; C96-Y113 VanDerWaalsContact CB-CE2 3.47Å; C96-Y113 HydrophobicContact CB-CG 4.22Å; C96-Y113 PolarHBondContact N-OH 2.6Å; C96-Y113 VanDerWaalsContact N-OH 3.17Å; C96-N135 PolarHBondContact SG-ND2 3.42Å; C96-N135 VanDerWaalsContact SG-ND2 3.45Å; C96-H176 WeakPolarHBondContact O-CB 3.3Å
97	G	97.8	Very high	96.7	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.01	21%	0.206	C	C	.	.			trans	-110.8	-173.4	159.1	0	0	0	0	0	111.6	D63 H99 D100 I101 H176	D63-G97 VanDerWaalsContact OD1-CA 3.25Å; D63-G97 WeakPolarHBondContact OD1-CA 3.19Å; G97-H99 VanDerWaalsContact C-N 3.29Å; G97-H99 PolarHBondContact O-N 3.06Å; G97-D100 PolarHBondContact N-OD2 3.41Å; G97-D100 PolarHBondContact O-N 2.7Å; G97-D100 VanDerWaalsContact O-N 3.1Å; G97-I101 PolarHBondContact O-N 3.45Å; G97-H176 WeakPolarHBondContact CA-CD2 3.13Å; G97-H176 VanDerWaalsContact CA-CG 3.47Å
98	N	96.2	Very high	96.7	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.032	20%	0.204	C	C	.	.	H	α-helix	trans	-67.8	-27.9	-178	60.8	-79.1	0	0	0	113.3	D63 D100 G102 D103 Q137 H176 M196 H225	D63-N98 PolarHBondContact OD1-N 2.72Å; N98-D100 VanDerWaalsContact C-N 3.28Å; N98-D100 PolarHBondContact O-N 3.41Å; N98-G102 CarbonylContact O-C 3.01Å; N98-G102 WeakPolarHBondContact O-CA 3.49Å; N98-G102 PolarHBondContact O-N 2.87Å; N98-D103 PolarHBondContact ND2-OD1 3.34Å; N98-D103 PolarHBondContact O-N 2.84Å; N98-Q137 VanDerWaalsContact CA-OE1 3.3Å; N98-H176 PolarHBondContact OD1-NE2 3.41Å; N98-M196 HydrophobicContact CB-CE 3.39Å; N98-M196 HydrophobicContact CB-SD 4.26Å; N98-M196 VanDerWaalsContact CG-CE 3.45Å; N98-H225 PolarHBondContact OD1-CE1 3.36Å; N98-H225 PolarHBondContact OD1-ND1 3.39Å
99	H	96	Very high	96.6	Very high	27 Å²	27	43.8 Å²	43.8	13%	0.125	20%	0.201	C	C	.	.	H	α-helix	trans	-75.4	-18.7	173.2	-73.5	-96.3	0	0	0	112.9	Q23 D63 T65 H66 K74 G97	Q23-H99 PolarHBondContact NE2-CD2 2.83Å; Q23-H99 PolarHBondContact NE2-CE1 3.06Å; Q23-H99 VanDerWaalsContact NE2-CG 3.34Å; Q23-H99 PolarHBondContact NE2-ND1 2.99Å; Q23-H99 PolarHBondContact NE2-NE2 2.85Å; D63-H99 HydrophobicContact CB-CB 4.47Å; D63-H99 WeakPolarHBondContact OD1-CB 3.42Å; D63-H99 IonicContact OD1-CD2 2.73Å; D63-H99 IonicContact OD1-CG 2.93Å; D63-H99 PolarHBondContact OD1-N 3.01Å; D63-H99 IonicContact OD2-CD2 3.44Å; D63-H99 PolarHBondContact OD2-CD2 2.84Å; D63-H99 IonicContact OD2-CG 3.43Å; T65-H99 WeakPolarHBondContact O-CB 3.35Å; H66-H99 AromaticContact CE1-CE1 3.53Å; H66-H99 AromaticContact CE1-ND1 3.86Å; H66-H99 AromaticContact ND1-CE1 3.52Å; H66-H99 AromaticContact ND1-ND1 3.47Å; H66-H99 PolarHBondContact ND1-ND1 2.88Å; H66-H99 PolarHBondContact O-ND1 2.92Å; K74-H99 PolarHBondContact NZ-O 2.9Å; G97-H99 VanDerWaalsContact C-N 3.29Å; G97-H99 PolarHBondContact O-N 3.06Å
100	D	98.4	Very high	96.6	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.032	17%	0.168	C	C	.	.	H	α-helix	trans	-82.3	-36.9	-178.4	-61.1	-50.5	0	0	0	112.8	D63 L64 T65 C96 G97 N98 Y113	D63-D100 WeakPolarHBondContact CA-OD2 3.29Å; D63-D100 PolarHBondContact N-OD2 3.09Å; L64-D100 WeakPolarHBondContact CB-OD1 3.39Å; L64-D100 PolarHBondContact N-OD1 2.79Å; L64-D100 PolarHBondContact N-OD2 3.24Å; L64-D100 VanDerWaalsContact N-OD2 3.13Å; T65-D100 PolarHBondContact N-OD1 3.27Å; T65-D100 PolarHBondContact OG1-OD1 3.28Å; C96-D100 HydrophobicContact CB-CB 4.04Å; G97-D100 PolarHBondContact N-OD2 3.41Å; G97-D100 PolarHBondContact O-N 2.7Å; G97-D100 VanDerWaalsContact O-N 3.1Å; N98-D100 VanDerWaalsContact C-N 3.28Å; N98-D100 PolarHBondContact O-N 3.41Å; D100-Y113 HydrophobicContact CB-CD2 3.89Å; D100-Y113 HydrophobicContact CB-CE2 4.13Å
101	I	97.3	Very high	96.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-119.2	-3.5	-178	62.3	171.6	0	0	0	114	P69 C96 G97 P105 S109 L110 Y113 Q137	P69-I101 VanDerWaalsContact CG-C 3.47Å; C96-I101 HydrophobicContact CB-CG2 3.94Å; G97-I101 PolarHBondContact O-N 3.45Å; I101-P105 HydrophobicContact CB-CB 4.25Å; I101-P105 HydrophobicContact CD1-CB 3.96Å; I101-P105 HydrophobicContact CD1-CG 4.34Å; I101-P105 HydrophobicContact CG1-CB 4.03Å; I101-P105 WeakPolarHBondContact O-CA 3.33Å; I101-P105 WeakPolarHBondContact O-CB 3.49Å; I101-S109 WeakPolarHBondContact O-CB 3.47Å; I101-S109 PolarHBondContact O-OG 2.75Å; I101-L110 HydrophobicContact CD1-CD1 4.41Å; I101-L110 HydrophobicContact CG2-CD1 4.22Å; I101-Y113 HydrophobicContact CG2-CD2 4.16Å; I101-Y113 HydrophobicContact CG2-CG 3.86Å; I101-Q137 HydrophobicContact CD1-CB 4.02Å; I101-Q137 HydrophobicContact CD1-CG 4.45Å
102	G	94.1	Very high	96.6	Very high	4 Å²	4	34.2 Å²	34.2	4%	0.041	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.8	143.8	177.6	0	0	0	0	0	113.4	N98 R104 P105 Q137	N98-G102 CarbonylContact O-C 3.01Å; N98-G102 WeakPolarHBondContact O-CA 3.49Å; N98-G102 PolarHBondContact O-N 2.87Å; G102-R104 CarbonylContact O-C 3.6Å; G102-R104 PolarHBondContact O-N 2.91Å; G102-R104 VanDerWaalsContact O-N 3.1Å; G102-P105 WeakPolarHBondContact O-CD 3.17Å; G102-Q137 PolarHBondContact O-NE2 3.16Å; G102-Q137 PolarHBondContact O-OE1 2.61Å; G102-Q137 VanDerWaalsContact O-OE1 3.08Å
103	D	91	Very high	96.6	Very high	43 Å²	43	32.4 Å²	32.4	23%	0.23	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-33.7	175.7	-80	-5.9	0	0	0	112.8	N98 Q137 Y142 M196	N98-D103 PolarHBondContact ND2-OD1 3.34Å; N98-D103 PolarHBondContact O-N 2.84Å; D103-Q137 PolarHBondContact O-NE2 2.85Å; D103-Y142 PolarHBondContact O-OH 3.32Å; D103-M196 HydrophobicContact CB-CG 3.79Å; D103-M196 HydrophobicContact CB-SD 3.75Å; D103-M196 WeakPolarHBondContact OD1-CG 3.48Å
104	R	89.1	Confident	96.6	Very high	166 Å²	166	35.6 Å²	35.6	63%	0.626	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.9	95.7	163.9	-68.9	-177.4	176.5	-158.2	0.2	107.9	G102 D195	G102-R104 CarbonylContact O-C 3.6Å; G102-R104 PolarHBondContact O-N 2.91Å; G102-R104 VanDerWaalsContact O-N 3.1Å; R104-D195 IonicContact CZ-OD2 3.09Å; R104-D195 IonicContact NE-OD2 2.84Å; R104-D195 PolarHBondContact NE-OD2 3.02Å; R104-D195 VanDerWaalsContact NH2-CG 3.27Å; R104-D195 IonicContact NH2-OD1 3.4Å; R104-D195 PolarHBondContact NH2-OD1 2.84Å; R104-D195 IonicContact NH2-OD2 2.63Å; R104-D195 PolarHBondContact NH2-OD2 3.1Å
105	P	93.7	Very high	96.5	Very high	12 Å²	12	41.8 Å²	41.8	8%	0.078	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	155.1	-173.3	27.3	-33.9	0	0	0	112.1	I101 G102 Y142 F145	I101-P105 HydrophobicContact CB-CB 4.25Å; I101-P105 HydrophobicContact CD1-CB 3.96Å; I101-P105 HydrophobicContact CD1-CG 4.34Å; I101-P105 HydrophobicContact CG1-CB 4.03Å; I101-P105 WeakPolarHBondContact O-CA 3.33Å; I101-P105 WeakPolarHBondContact O-CB 3.49Å; G102-P105 WeakPolarHBondContact O-CD 3.17Å; P105-Y142 VanDerWaalsContact CD-CE2 3.41Å; P105-Y142 HydrophobicContact CG-CD2 3.95Å; P105-Y142 HydrophobicContact CG-CE2 3.73Å; P105-F145 HydrophobicContact CB-CE1 4.13Å; P105-F145 HydrophobicContact CB-CE2 4.48Å; P105-F145 HydrophobicContact CB-CZ 3.93Å; P105-F145 HydrophobicContact CG-CD1 4.36Å; P105-F145 HydrophobicContact CG-CE1 4.09Å; P105-F145 HydrophobicContact CG-CZ 4.26Å; P105-F145 VanDerWaalsContact O-CE2 3.23Å; P105-F145 WeakPolarHBondContact O-CE2 3.19Å
106	T	95.2	Very high	96.5	Very high	66 Å²	66	43.5 Å²	43.5	41%	0.405	21%	0.21	S	C	.	.			trans	-120.3	156.9	174.4	67	0	0	0	0	109.6	N108 S109 L110 F145	T106-N108 PolarHBondContact O-N 2.78Å; T106-N108 VanDerWaalsContact O-N 3.11Å; T106-S109 PolarHBondContact N-OG 2.89Å; T106-S109 PolarHBondContact O-N 3.26Å; T106-S109 PolarHBondContact O-OG 3.25Å; T106-S109 PolarHBondContact OG1-N 2.95Å; T106-S109 PolarHBondContact OG1-OG 3.13Å; T106-L110 PolarHBondContact O-N 3.09Å; T106-F145 VanDerWaalsContact CA-CE2 3.47Å; T106-F145 WeakPolarHBondContact O-CZ 3.22Å
107	I	96.9	Very high	96.5	Very high	70 Å²	70	44.7 Å²	44.7	36%	0.359	22%	0.215	S	C	.	.	H	α-helix	trans	-56.4	-33.2	176.1	-61.8	-59.9	0	0	0	110.9	R111 F145 E148	I107-R111 WeakPolarHBondContact O-CB 3.38Å; I107-R111 PolarHBondContact O-N 3.1Å; I107-F145 HydrophobicContact CD1-CD2 4.38Å; I107-F145 HydrophobicContact CD1-CE2 3.87Å; I107-F145 HydrophobicContact CD1-CZ 4.05Å; I107-F145 HydrophobicContact CG1-CE2 4.23Å; I107-E148 HydrophobicContact CD1-CG 3.5Å
108	N	97.5	Very high	96.5	Very high	92 Å²	92	46.1 Å²	46.1	49%	0.492	23%	0.23	S	C	.	.	H	α-helix	trans	-70.4	-43.1	176.6	-69.6	-24.7	0	0	0	112.1	F70 T106 L110 R111 A112	F70-N108 HydrophobicContact CE2-CB 4.27Å; F70-N108 HydrophobicContact CZ-CB 3.79Å; T106-N108 PolarHBondContact O-N 2.78Å; T106-N108 VanDerWaalsContact O-N 3.11Å; N108-L110 VanDerWaalsContact C-N 3.31Å; N108-L110 PolarHBondContact O-N 3.15Å; N108-R111 PolarHBondContact O-N 3.08Å; N108-R111 PolarHBondContact OD1-NH1 3.25Å; N108-A112 WeakPolarHBondContact O-CB 3.31Å; N108-A112 PolarHBondContact O-N 2.92Å
109	S	97.6	Very high	96.6	Very high	4 Å²	4	49.4 Å²	49.4	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-36.7	178.8	60.3	0	0	0	0	111.3	I101 T106 A112 Y113	I101-S109 WeakPolarHBondContact O-CB 3.47Å; I101-S109 PolarHBondContact O-OG 2.75Å; T106-S109 PolarHBondContact N-OG 2.89Å; T106-S109 PolarHBondContact O-N 3.26Å; T106-S109 PolarHBondContact O-OG 3.25Å; T106-S109 PolarHBondContact OG1-N 2.95Å; T106-S109 PolarHBondContact OG1-OG 3.13Å; S109-A112 PolarHBondContact O-N 3.48Å; S109-Y113 PolarHBondContact O-N 2.83Å
110	L	97.8	Very high	96.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-43.4	172.4	-167.9	62.1	0	0	0	112.1	I101 T106 N108 A112 Y113 R114 D120 F145 E148	I101-L110 HydrophobicContact CD1-CD1 4.41Å; I101-L110 HydrophobicContact CG2-CD1 4.22Å; T106-L110 PolarHBondContact O-N 3.09Å; N108-L110 VanDerWaalsContact C-N 3.31Å; N108-L110 PolarHBondContact O-N 3.15Å; L110-A112 VanDerWaalsContact C-N 3.33Å; L110-A112 PolarHBondContact O-N 3.05Å; L110-Y113 PolarHBondContact O-N 3.29Å; L110-R114 VanDerWaalsContact CD2-CZ 3.42Å; L110-R114 VanDerWaalsContact CD2-NH2 3.32Å; L110-R114 WeakPolarHBondContact O-CB 3.4Å; L110-R114 VanDerWaalsContact O-CG 3.29Å; L110-R114 WeakPolarHBondContact O-CG 3.21Å; L110-R114 PolarHBondContact O-N 2.97Å; L110-D120 HydrophobicContact CD1-CB 4.04Å; L110-D120 WeakPolarHBondContact CD1-OD2 3.36Å; L110-F145 HydrophobicContact CB-CZ 4.35Å; L110-F145 HydrophobicContact CD2-CE1 3.95Å; L110-F145 HydrophobicContact CD2-CZ 4.3Å; L110-E148 HydrophobicContact CD2-CB 4.39Å; L110-E148 HydrophobicContact CD2-CG 3.87Å; L110-E148 WeakPolarHBondContact CD2-OE2 3.32Å
111	R	98.1	Very high	96.8	Very high	124 Å²	124	49.6 Å²	49.6	47%	0.468	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-41.3	174.2	-170.5	-176.5	-62.3	121.9	2.7	111.6	I107 N108 R114 Q115	I107-R111 WeakPolarHBondContact O-CB 3.38Å; I107-R111 PolarHBondContact O-N 3.1Å; N108-R111 PolarHBondContact O-N 3.08Å; N108-R111 PolarHBondContact OD1-NH1 3.25Å; R111-R114 PolarHBondContact O-N 3.04Å; R111-Q115 VanDerWaalsContact O-CG 3.29Å; R111-Q115 WeakPolarHBondContact O-CG 3.4Å; R111-Q115 PolarHBondContact O-N 3.44Å
112	A	98.4	Very high	96.8	Very high	25 Å²	25	51.6 Å²	51.6	21%	0.207	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-45.3	177.4	0	0	0	0	0	111.5	F70 N108 S109 L110 R114 Q115 S116	F70-A112 HydrophobicContact CE1-CB 3.99Å; F70-A112 HydrophobicContact CZ-CB 4.18Å; N108-A112 WeakPolarHBondContact O-CB 3.31Å; N108-A112 PolarHBondContact O-N 2.92Å; S109-A112 PolarHBondContact O-N 3.48Å; L110-A112 VanDerWaalsContact C-N 3.33Å; L110-A112 PolarHBondContact O-N 3.05Å; A112-R114 PolarHBondContact O-N 3.4Å; A112-Q115 PolarHBondContact O-N 2.9Å; A112-S116 PolarHBondContact O-N 3.32Å; A112-S116 VanDerWaalsContact O-N 3.13Å; A112-S116 PolarHBondContact O-OG 2.86Å
113	Y	98.7	Very high	97	Very high	6 Å²	6	53.2 Å²	53.2	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-57.1	-48.7	172.1	175	-86.3	0	0	0	111.3	L64 L95 C96 D100 I101 S109 L110 Q115 S116 F117 D120	L64-Y113 HydrophobicContact CD1-CE2 4.35Å; L95-Y113 PolarHBondContact O-OH 3.41Å; C96-Y113 HydrophobicContact CB-CD1 4.36Å; C96-Y113 HydrophobicContact CB-CD2 3.79Å; C96-Y113 HydrophobicContact CB-CE1 4.11Å; C96-Y113 HydrophobicContact CB-CE2 3.47Å; C96-Y113 VanDerWaalsContact CB-CE2 3.47Å; C96-Y113 HydrophobicContact CB-CG 4.22Å; C96-Y113 PolarHBondContact N-OH 2.6Å; C96-Y113 VanDerWaalsContact N-OH 3.17Å; D100-Y113 HydrophobicContact CB-CD2 3.89Å; D100-Y113 HydrophobicContact CB-CE2 4.13Å; I101-Y113 HydrophobicContact CG2-CD2 4.16Å; I101-Y113 HydrophobicContact CG2-CG 3.86Å; S109-Y113 PolarHBondContact O-N 2.83Å; L110-Y113 PolarHBondContact O-N 3.29Å; Y113-Q115 PolarHBondContact O-N 2.79Å; Y113-S116 PolarHBondContact O-N 2.92Å; Y113-F117 HydrophobicContact CD2-CB 4.29Å; Y113-F117 AromaticContact CD2-CD2 3.55Å; Y113-F117 HydrophobicContact CD2-CD2 3.55Å; Y113-F117 HydrophobicContact CD2-CE2 4.28Å; Y113-F117 HydrophobicContact CD2-CG 4.23Å; Y113-F117 HydrophobicContact CE1-CB 4Å; Y113-F117 HydrophobicContact CE2-CB 3.78Å; Y113-F117 AromaticContact CE2-CD2 3.57Å; Y113-F117 HydrophobicContact CE2-CD2 3.57Å; Y113-F117 HydrophobicContact CE2-CE2 4.37Å; Y113-F117 AromaticContact CE2-CG 3.82Å; Y113-F117 HydrophobicContact CE2-CG 3.82Å; Y113-F117 HydrophobicContact CG-CD2 4.3Å; Y113-F117 PolarHBondContact O-N 2.8Å; Y113-D120 HydrophobicContact CD1-CB 3.9Å; Y113-D120 HydrophobicContact CE1-CB 3.78Å
114	R	98.5	Very high	97.4	Very high	73 Å²	73	52.3 Å²	52.3	28%	0.275	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-34.6	-180	-72.4	167.2	176.3	160.9	0.8	113	L110 R111 A112 G118 D120 E148	L110-R114 VanDerWaalsContact CD2-CZ 3.42Å; L110-R114 VanDerWaalsContact CD2-NH2 3.32Å; L110-R114 WeakPolarHBondContact O-CB 3.4Å; L110-R114 VanDerWaalsContact O-CG 3.29Å; L110-R114 WeakPolarHBondContact O-CG 3.21Å; L110-R114 PolarHBondContact O-N 2.97Å; R111-R114 PolarHBondContact O-N 3.04Å; A112-R114 PolarHBondContact O-N 3.4Å; R114-G118 VanDerWaalsContact CA-O 3.28Å; R114-G118 WeakPolarHBondContact CA-O 3.25Å; R114-G118 WeakPolarHBondContact O-CA 3.48Å; R114-G118 PolarHBondContact O-N 3.46Å; R114-G118 VanDerWaalsContact O-N 3.14Å; R114-D120 IonicContact CZ-OD1 3.25Å; R114-D120 VanDerWaalsContact CZ-OD1 3.25Å; R114-D120 IonicContact NE-OD1 2.73Å; R114-D120 PolarHBondContact NE-OD1 2.95Å; R114-D120 IonicContact NH2-OD1 3.18Å; R114-D120 PolarHBondContact NH2-OD1 3.49Å; R114-D120 IonicContact NH2-OD2 3.41Å; R114-D120 PolarHBondContact NH2-OD2 3.43Å; R114-E148 IonicContact CZ-OE2 3.41Å; R114-E148 IonicContact NH1-OE1 3.13Å; R114-E148 PolarHBondContact NH1-OE1 2.91Å; R114-E148 VanDerWaalsContact NH1-OE1 3.13Å; R114-E148 IonicContact NH1-OE2 3.12Å; R114-E148 PolarHBondContact NH1-OE2 3.41Å; R114-E148 VanDerWaalsContact NH1-OE2 3.12Å; R114-E148 IonicContact NH2-OE2 3.7Å; R114-E148 PolarHBondContact NH2-OE2 3.15Å
115	Q	98.3	Very high	97.7	Very high	152 Å²	152	48.5 Å²	48.5	71%	0.71	26%	0.258	S	S	*	.	H	α-helix	trans	-70.2	-35.3	175.1	-73.9	171.3	-3	0	0	112.9	R111 A112 Y113	R111-Q115 VanDerWaalsContact O-CG 3.29Å; R111-Q115 WeakPolarHBondContact O-CG 3.4Å; R111-Q115 PolarHBondContact O-N 3.44Å; A112-Q115 PolarHBondContact O-N 2.9Å; Y113-Q115 PolarHBondContact O-N 2.79Å
116	S	98.1	Very high	97.9	Very high	37 Å²	37	51.9 Å²	51.9	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-87	-41.1	-177.4	-63.8	0	0	0	0	113.7	F82 A112 Y113	F82-S116 VanDerWaalsContact CZ-O 3.29Å; F82-S116 WeakPolarHBondContact CZ-O 3.48Å; A112-S116 PolarHBondContact O-N 3.32Å; A112-S116 VanDerWaalsContact O-N 3.13Å; A112-S116 PolarHBondContact O-OG 2.86Å; Y113-S116 PolarHBondContact O-N 2.92Å
117	F	98.5	Very high	98	Very high	24 Å²	24	49.5 Å²	49.5	11%	0.105	26%	0.258	C	S	.	.	H	α-helix	trans	-116.8	-12.2	-168.8	-65.4	-77.7	0	0	0	114.3	L64 I78 F81 F82 F94 Y113	L64-F117 HydrophobicContact CB-CE1 4.45Å; L64-F117 HydrophobicContact CB-CZ 4.27Å; L64-F117 HydrophobicContact CD1-CD1 3.5Å; L64-F117 HydrophobicContact CD1-CD2 4.32Å; L64-F117 HydrophobicContact CD1-CE1 3.36Å; L64-F117 HydrophobicContact CD1-CE2 4.18Å; L64-F117 HydrophobicContact CD1-CG 4Å; L64-F117 HydrophobicContact CD1-CZ 3.71Å; I78-F117 HydrophobicContact CB-CZ 4.46Å; I78-F117 HydrophobicContact CD1-CE2 4Å; I78-F117 HydrophobicContact CD1-CZ 4.4Å; I78-F117 HydrophobicContact CG1-CE2 4.02Å; I78-F117 HydrophobicContact CG1-CZ 3.91Å; I78-F117 HydrophobicContact CG2-CE2 4.38Å; I78-F117 HydrophobicContact CG2-CZ 3.99Å; F81-F117 AromaticContact CD1-CE1 3.85Å; F81-F117 HydrophobicContact CD1-CE1 3.85Å; F81-F117 HydrophobicContact CD1-CZ 4.39Å; F81-F117 AromaticContact CE1-CE1 3.75Å; F81-F117 HydrophobicContact CE1-CE1 3.75Å; F82-F117 HydrophobicContact CE1-CD1 4.09Å; F82-F117 HydrophobicContact CE1-CE1 4.1Å; F82-F117 HydrophobicContact CE2-CD1 4.06Å; F82-F117 AromaticContact CE2-CE1 3.73Å; F82-F117 HydrophobicContact CE2-CE1 3.73Å; F82-F117 HydrophobicContact CE2-CZ 4.25Å; F82-F117 AromaticContact CZ-CD1 3.38Å; F82-F117 HydrophobicContact CZ-CD1 3.38Å; F82-F117 AromaticContact CZ-CE1 3.43Å; F82-F117 HydrophobicContact CZ-CE1 3.43Å; F82-F117 VanDerWaalsContact CZ-CE1 3.43Å; F82-F117 HydrophobicContact CZ-CG 4.26Å; F82-F117 HydrophobicContact CZ-CZ 4.35Å; F94-F117 HydrophobicContact CB-CB 4.45Å; F94-F117 HydrophobicContact CB-CD1 4.43Å; F94-F117 HydrophobicContact CD1-CD1 4.48Å; F94-F117 HydrophobicContact CD2-CD1 4.22Å; F94-F117 HydrophobicContact CG-CD1 4.13Å; Y113-F117 HydrophobicContact CD2-CB 4.29Å; Y113-F117 AromaticContact CD2-CD2 3.55Å; Y113-F117 HydrophobicContact CD2-CD2 3.55Å; Y113-F117 HydrophobicContact CD2-CE2 4.28Å; Y113-F117 HydrophobicContact CD2-CG 4.23Å; Y113-F117 HydrophobicContact CE1-CB 4Å; Y113-F117 HydrophobicContact CE2-CB 3.78Å; Y113-F117 AromaticContact CE2-CD2 3.57Å; Y113-F117 HydrophobicContact CE2-CD2 3.57Å; Y113-F117 HydrophobicContact CE2-CE2 4.37Å; Y113-F117 AromaticContact CE2-CG 3.82Å; Y113-F117 HydrophobicContact CE2-CG 3.82Å; Y113-F117 HydrophobicContact CG-CD2 4.3Å; Y113-F117 PolarHBondContact O-N 2.8Å
118	G	98.2	Very high	97.9	Very high	32 Å²	32	51 Å²	51	33%	0.33	27%	0.267	S	S	.	.			trans	90	-159.1	-173.1	0	0	0	0	0	112.7	R114 D120	R114-G118 VanDerWaalsContact CA-O 3.28Å; R114-G118 WeakPolarHBondContact CA-O 3.25Å; R114-G118 WeakPolarHBondContact O-CA 3.48Å; R114-G118 PolarHBondContact O-N 3.46Å; R114-G118 VanDerWaalsContact O-N 3.14Å; G118-D120 PolarHBondContact O-N 3.39Å
119	S	98.3	Very high	97.8	Very high	75 Å²	75	46.7 Å²	46.7	52%	0.524	24%	0.244	S	C	.	.			trans	-55.4	137.1	-175.9	-60.2	0	0	0	0	112.7	Y122	S119-Y122 WeakPolarHBondContact O-CD1 3.12Å; S119-Y122 WeakPolarHBondContact O-CE1 3.09Å
120	D	98.3	Very high	97.8	Very high	3 Å²	3	47 Å²	47	2%	0.016	25%	0.245	C	C	.	.	S	Bend	trans	-83.8	-18.7	178.5	59.8	-61.2	0	0	0	113.4	L110 Y113 R114 G118 N135	L110-D120 HydrophobicContact CD1-CB 4.04Å; L110-D120 WeakPolarHBondContact CD1-OD2 3.36Å; Y113-D120 HydrophobicContact CD1-CB 3.9Å; Y113-D120 HydrophobicContact CE1-CB 3.78Å; R114-D120 IonicContact CZ-OD1 3.25Å; R114-D120 VanDerWaalsContact CZ-OD1 3.25Å; R114-D120 IonicContact NE-OD1 2.73Å; R114-D120 PolarHBondContact NE-OD1 2.95Å; R114-D120 IonicContact NH2-OD1 3.18Å; R114-D120 PolarHBondContact NH2-OD1 3.49Å; R114-D120 IonicContact NH2-OD2 3.41Å; R114-D120 PolarHBondContact NH2-OD2 3.43Å; G118-D120 PolarHBondContact O-N 3.39Å; D120-N135 HydrophobicContact CB-CB 4.43Å; D120-N135 PolarHBondContact OD2-ND2 2.9Å
121	Y	98.7	Very high	97.8	Very high	34 Å²	34	47 Å²	47	13%	0.133	25%	0.245	C	C	.	.	S	Bend	trans	-142.9	143.8	166.7	62.7	-96.1	0	0	0	109.8	F133 N135 L138 Q152 W155	Y121-F133 CarbonylContact C-O 3.52Å; Y121-F133 WeakPolarHBondContact CA-O 3.42Å; Y121-F133 WeakPolarHBondContact CB-O 3.19Å; Y121-N135 HydrophobicContact CD1-CB 4.44Å; Y121-L138 HydrophobicContact CD1-CD1 4.13Å; Y121-L138 HydrophobicContact CE1-CD1 4.19Å; Y121-Q152 HydrophobicContact CD1-CB 4.12Å; Y121-Q152 HydrophobicContact CD1-CG 4.11Å; Y121-Q152 HydrophobicContact CD2-CG 4.2Å; Y121-Q152 HydrophobicContact CE1-CB 3.98Å; Y121-Q152 HydrophobicContact CE1-CG 4.44Å; Y121-Q152 HydrophobicContact CE2-CB 4.45Å; Y121-Q152 HydrophobicContact CG-CB 4.43Å; Y121-Q152 HydrophobicContact CG-CG 4Å; Y121-W155 AromaticContact CD2-CD2 3.66Å; Y121-W155 HydrophobicContact CD2-CD2 3.66Å; Y121-W155 AromaticContact CD2-CE3 3.43Å; Y121-W155 HydrophobicContact CD2-CE3 3.43Å; Y121-W155 VanDerWaalsContact CD2-CE3 3.43Å; Y121-W155 HydrophobicContact CD2-CG 4.27Å; Y121-W155 HydrophobicContact CD2-CH2 4.2Å; Y121-W155 HydrophobicContact CD2-CZ2 4.42Å; Y121-W155 AromaticContact CD2-CZ3 3.71Å; Y121-W155 HydrophobicContact CD2-CZ3 3.71Å; Y121-W155 HydrophobicContact CE2-CB 4.1Å; Y121-W155 AromaticContact CE2-CD2 3.76Å; Y121-W155 HydrophobicContact CE2-CD2 3.76Å; Y121-W155 AromaticContact CE2-CE3 3.84Å; Y121-W155 HydrophobicContact CE2-CE3 3.84Å; Y121-W155 AromaticContact CE2-CG 3.86Å; Y121-W155 HydrophobicContact CE2-CG 3.86Å; Y121-W155 HydrophobicContact CG-CE3 4.4Å; Y121-W155 HydrophobicContact CG-CZ3 4.4Å
122	Y	98.8	Very high	97.8	Very high	42 Å²	42	41.1 Å²	41.1	17%	0.165	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	177.4	-176.9	53.8	-84.5	0	0	0	110.5	L93 F94 S119 I124 F133 W155	L93-Y122 HydrophobicContact CD2-CE2 4.37Å; F94-Y122 PolarHBondContact N-OH 3.07Å; F94-Y122 VanDerWaalsContact N-OH 3.1Å; F94-Y122 WeakPolarHBondContact O-CE1 3.47Å; F94-Y122 PolarHBondContact O-OH 2.93Å; S119-Y122 WeakPolarHBondContact O-CD1 3.12Å; S119-Y122 WeakPolarHBondContact O-CE1 3.09Å; Y122-I124 HydrophobicContact CD2-CG2 4.21Å; Y122-I124 HydrophobicContact CE2-CG2 4.37Å; Y122-F133 HydrophobicContact CD1-CB 4.24Å; Y122-F133 HydrophobicContact CD2-CB 4.21Å; Y122-F133 AromaticContact CD2-CD2 3.97Å; Y122-F133 HydrophobicContact CD2-CD2 3.97Å; Y122-F133 HydrophobicContact CD2-CG 4.21Å; Y122-F133 HydrophobicContact CE1-CB 4.04Å; Y122-F133 HydrophobicContact CE1-CG 4.39Å; Y122-F133 HydrophobicContact CE2-CB 4.02Å; Y122-F133 HydrophobicContact CE2-CD1 4.21Å; Y122-F133 AromaticContact CE2-CD2 3.6Å; Y122-F133 HydrophobicContact CE2-CD2 3.6Å; Y122-F133 HydrophobicContact CE2-CE2 4.11Å; Y122-F133 AromaticContact CE2-CG 3.67Å; Y122-F133 HydrophobicContact CE2-CG 3.67Å; Y122-F133 HydrophobicContact CG-CB 4.31Å; Y122-F133 AromaticContact CZ-CG 3.77Å; Y122-F133 PolarHBondContact N-O 3.49Å; Y122-F133 WeakPolarHBondContact O-CB 3.49Å; Y122-F133 PolarHBondContact O-N 3.29Å; Y122-W155 VanDerWaalsContact C-CZ2 3.42Å; Y122-W155 WeakPolarHBondContact O-CH2 3.49Å
123	S	98.3	Very high	97.9	Very high	37 Å²	37	40 Å²	40	26%	0.259	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.1	170.8	65.2	0	0	0	0	111.2	F131	S123-F131 CarbonylContact C-O 3.6Å; S123-F131 WeakPolarHBondContact CA-O 3.21Å; S123-F131 VanDerWaalsContact CB-O 3.3Å; S123-F131 WeakPolarHBondContact CB-O 3.38Å
124	I	98	Very high	97.9	Very high	25 Å²	25	39.7 Å²	39.7	13%	0.128	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156.3	169.6	66.4	165.7	0	0	0	110.6	F57 L93 Y122 Q126 F131 F133	F57-I124 HydrophobicContact CD1-CD1 3.97Å; F57-I124 HydrophobicContact CE1-CD1 3.95Å; F57-I124 HydrophobicContact CG-CD1 4.43Å; F57-I124 HydrophobicContact CZ-CD1 4.39Å; L93-I124 HydrophobicContact CD1-CD1 3.42Å; L93-I124 VanDerWaalsContact CD1-CD1 3.42Å; L93-I124 HydrophobicContact CD1-CG1 4.45Å; Y122-I124 HydrophobicContact CD2-CG2 4.21Å; Y122-I124 HydrophobicContact CE2-CG2 4.37Å; I124-Q126 HydrophobicContact CD1-CB 4.26Å; I124-F131 HydrophobicContact CG1-CB 3.84Å; I124-F131 HydrophobicContact CG1-CD2 4.29Å; I124-F131 HydrophobicContact CG1-CG 4.44Å; I124-F131 PolarHBondContact N-O 2.89Å; I124-F131 PolarHBondContact O-N 2.9Å; I124-F133 HydrophobicContact CD1-CE2 4.34Å; I124-F133 HydrophobicContact CG1-CE2 4.02Å
125	D	96.8	Very high	97.9	Very high	86 Å²	86	36.2 Å²	36.2	46%	0.46	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.2	172.5	-64.9	-1.2	0	0	0	107.8	S129 K130 Y168	D125-S129 WeakPolarHBondContact CA-O 3.39Å; D125-K130 WeakPolarHBondContact OD1-CD 3.07Å; D125-K130 WeakPolarHBondContact OD1-CE 3.5Å; D125-K130 IonicContact OD1-NZ 3.25Å; D125-K130 PolarHBondContact OD1-NZ 2.8Å; D125-K130 IonicContact OD2-NZ 2.88Å; D125-K130 PolarHBondContact OD2-NZ 3.32Å; D125-Y168 HydrophobicContact CB-CE1 4.28Å; D125-Y168 VanDerWaalsContact CG-OH 3.27Å; D125-Y168 PolarHBondContact OD1-OH 2.82Å; D125-Y168 WeakPolarHBondContact OD2-CE1 3.33Å; D125-Y168 PolarHBondContact OD2-OH 3.46Å
126	Q	97.4	Very high	97.9	Very high	82 Å²	82	29 Å²	29	38%	0.383	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	152.9	-177.1	-168	69.1	49.5	0	0	108	F57 I124 D128 S129 F131	F57-Q126 HydrophobicContact CD1-CG 4.12Å; F57-Q126 HydrophobicContact CE1-CB 4.31Å; F57-Q126 HydrophobicContact CE1-CG 4.2Å; I124-Q126 HydrophobicContact CD1-CB 4.26Å; Q126-D128 VanDerWaalsContact C-N 3.26Å; Q126-D128 PolarHBondContact O-N 3.28Å; Q126-S129 PolarHBondContact N-O 3.35Å; Q126-S129 VanDerWaalsContact N-O 3.11Å; Q126-S129 CarbonylContact O-C 3.54Å; Q126-S129 WeakPolarHBondContact O-CA 3.38Å; Q126-S129 WeakPolarHBondContact O-CB 3.4Å; Q126-S129 PolarHBondContact O-N 2.99Å; Q126-F131 HydrophobicContact CB-CD2 4.29Å; Q126-F131 HydrophobicContact CB-CE2 4.17Å; Q126-F131 WeakPolarHBondContact O-CE2 3.18Å
127	L	96.5	Very high	97.8	Very high	17 Å²	17	27.2 Å²	27.2	9%	0.089	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	42.5	177.3	-53.3	177.7	0	0	0	113.1	I13 F16 S56 S129 F131 V258	I13-L127 HydrophobicContact CG2-CB 3.9Å; I13-L127 HydrophobicContact CG2-CD2 4.11Å; F16-L127 HydrophobicContact CD1-CD1 4.36Å; S56-L127 WeakPolarHBondContact OG-CD2 3.3Å; L127-S129 WeakPolarHBondContact O-CB 3.39Å; L127-S129 PolarHBondContact O-N 3.32Å; L127-S129 PolarHBondContact O-OG 3.49Å; L127-F131 HydrophobicContact CD1-CZ 4.42Å; L127-V258 HydrophobicContact CB-CB 4.31Å; L127-V258 HydrophobicContact CB-CG1 4.22Å; L127-V258 HydrophobicContact CB-CG2 4.4Å; L127-V258 HydrophobicContact CD1-CB 4.02Å; L127-V258 HydrophobicContact CD1-CG2 3.56Å
128	D	94.6	Very high	97.7	Very high	102 Å²	102	26.2 Å²	26.2	55%	0.545	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	23.7	-175.1	-57.4	-23.9	0	0	0	114.6	I13 Q126 R169	I13-D128 HydrophobicContact CD1-CB 4.36Å; Q126-D128 VanDerWaalsContact C-N 3.26Å; Q126-D128 PolarHBondContact O-N 3.28Å; D128-R169 HydrophobicContact CB-CG 4.28Å; D128-R169 PolarHBondContact O-N 2.78Å
129	S	96.6	Very high	97.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154.7	-168.8	-57	0	0	0	0	111.1	D125 Q126 L127 H170	D125-S129 WeakPolarHBondContact CA-O 3.39Å; Q126-S129 PolarHBondContact N-O 3.35Å; Q126-S129 VanDerWaalsContact N-O 3.11Å; Q126-S129 CarbonylContact O-C 3.54Å; Q126-S129 WeakPolarHBondContact O-CA 3.38Å; Q126-S129 WeakPolarHBondContact O-CB 3.4Å; Q126-S129 PolarHBondContact O-N 2.99Å; L127-S129 WeakPolarHBondContact O-CB 3.39Å; L127-S129 PolarHBondContact O-N 3.32Å; L127-S129 PolarHBondContact O-OG 3.49Å; S129-H170 CarbonylContact C-O 3.54Å; S129-H170 WeakPolarHBondContact CA-O 3.49Å; S129-H170 WeakPolarHBondContact CB-O 3.41Å; S129-H170 WeakPolarHBondContact OG-CB 3.26Å; S129-H170 PolarHBondContact OG-CD2 3.23Å
130	K	97.2	Very high	97.5	Very high	11 Å²	11	21.9 Å²	21.9	5%	0.048	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.6	170.5	179.5	69.1	64.9	178.5	0	109.2	D125 I132 L159 V163 Y168 H170 V171 V172	D125-K130 WeakPolarHBondContact OD1-CD 3.07Å; D125-K130 WeakPolarHBondContact OD1-CE 3.5Å; D125-K130 IonicContact OD1-NZ 3.25Å; D125-K130 PolarHBondContact OD1-NZ 2.8Å; D125-K130 IonicContact OD2-NZ 2.88Å; D125-K130 PolarHBondContact OD2-NZ 3.32Å; K130-I132 HydrophobicContact CG-CD1 4.45Å; K130-I132 HydrophobicContact CG-CG1 3.96Å; K130-L159 HydrophobicContact CD-CD1 4.2Å; K130-V163 HydrophobicContact CG-CG2 4.08Å; K130-Y168 HydrophobicContact CB-CD1 4.13Å; K130-Y168 HydrophobicContact CB-CD2 4.13Å; K130-Y168 HydrophobicContact CB-CE1 4.38Å; K130-Y168 HydrophobicContact CB-CE2 4.35Å; K130-Y168 HydrophobicContact CB-CG 4.01Å; K130-Y168 WeakPolarHBondContact CE-OH 3.47Å; K130-Y168 PolarHBondContact NZ-OH 3.38Å; K130-H170 PolarHBondContact N-O 3.04Å; K130-V171 HydrophobicContact CB-CG1 4.26Å; K130-V171 HydrophobicContact CB-CG2 4.4Å; K130-V171 HydrophobicContact CG-CG1 4.29Å; K130-V171 WeakPolarHBondContact O-CA 3.45Å; K130-V172 PolarHBondContact O-N 3.2Å
131	F	98.2	Very high	97.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.6	170.1	-64.3	-88.3	0	0	0	109.8	F16 F57 S123 I124 Q126 L127 F133 V172 L174 V258	F16-F131 AromaticContact CD1-CE1 3.88Å; F16-F131 HydrophobicContact CD1-CE1 3.88Å; F16-F131 AromaticContact CD1-CZ 3.99Å; F16-F131 HydrophobicContact CD1-CZ 3.99Å; F16-F131 AromaticContact CE1-CE1 3.43Å; F16-F131 HydrophobicContact CE1-CE1 3.43Å; F16-F131 VanDerWaalsContact CE1-CE1 3.43Å; F16-F131 AromaticContact CE1-CZ 3.87Å; F16-F131 HydrophobicContact CE1-CZ 3.87Å; F16-F131 HydrophobicContact CE2-CE1 4.5Å; F16-F131 AromaticContact CZ-CE1 3.77Å; F16-F131 HydrophobicContact CZ-CE1 3.77Å; F57-F131 HydrophobicContact CE1-CD2 4.11Å; F57-F131 HydrophobicContact CE1-CE1 4.48Å; F57-F131 AromaticContact CE1-CE2 3.96Å; F57-F131 HydrophobicContact CE1-CE2 3.96Å; F57-F131 HydrophobicContact CE1-CG 4.42Å; F57-F131 HydrophobicContact CE1-CZ 4.16Å; F57-F131 AromaticContact CZ-CD1 3.86Å; F57-F131 HydrophobicContact CZ-CD1 3.86Å; F57-F131 HydrophobicContact CZ-CD2 4.14Å; F57-F131 AromaticContact CZ-CE1 3.88Å; F57-F131 HydrophobicContact CZ-CE1 3.88Å; F57-F131 HydrophobicContact CZ-CE2 4.13Å; F57-F131 AromaticContact CZ-CG 3.99Å; F57-F131 HydrophobicContact CZ-CG 3.99Å; F57-F131 HydrophobicContact CZ-CZ 4.02Å; S123-F131 CarbonylContact C-O 3.6Å; S123-F131 WeakPolarHBondContact CA-O 3.21Å; S123-F131 VanDerWaalsContact CB-O 3.3Å; S123-F131 WeakPolarHBondContact CB-O 3.38Å; I124-F131 HydrophobicContact CG1-CB 3.84Å; I124-F131 HydrophobicContact CG1-CD2 4.29Å; I124-F131 HydrophobicContact CG1-CG 4.44Å; I124-F131 PolarHBondContact N-O 2.89Å; I124-F131 PolarHBondContact O-N 2.9Å; Q126-F131 HydrophobicContact CB-CD2 4.29Å; Q126-F131 HydrophobicContact CB-CE2 4.17Å; Q126-F131 WeakPolarHBondContact O-CE2 3.18Å; L127-F131 HydrophobicContact CD1-CZ 4.42Å; F131-F133 HydrophobicContact CB-CD2 4.44Å; F131-F133 HydrophobicContact CB-CE2 3.73Å; F131-V172 CarbonylContact C-O 3.58Å; F131-V172 WeakPolarHBondContact CA-O 3.5Å; F131-V172 HydrophobicContact CD1-CB 3.67Å; F131-V172 HydrophobicContact CD1-CG1 4.02Å; F131-V172 HydrophobicContact CD1-CG2 4.29Å; F131-V172 HydrophobicContact CE1-CB 3.8Å; F131-V172 HydrophobicContact CE1-CG1 4.09Å; F131-V172 HydrophobicContact CE1-CG2 3.94Å; F131-L174 HydrophobicContact CB-CD1 4.35Å; F131-L174 HydrophobicContact CD1-CD1 3.97Å; F131-V258 HydrophobicContact CZ-CG2 4.48Å
132	I	98.5	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.6	-177.4	-49.1	-177.7	0	0	0	108.3	K130 L134 W155 L156 L159 V171 V172 V173 L174	K130-I132 HydrophobicContact CG-CD1 4.45Å; K130-I132 HydrophobicContact CG-CG1 3.96Å; I132-L134 HydrophobicContact CG2-CD2 3.65Å; I132-L134 HydrophobicContact CG2-CG 4.02Å; I132-W155 HydrophobicContact CG2-CH2 3.88Å; I132-W155 HydrophobicContact CG2-CZ3 4.32Å; I132-L156 HydrophobicContact CG2-CD1 4.18Å; I132-L159 HydrophobicContact CB-CD2 4.47Å; I132-L159 HydrophobicContact CD1-CD2 3.9Å; I132-L159 HydrophobicContact CG1-CD2 3.88Å; I132-L159 HydrophobicContact CG2-CD2 3.93Å; I132-V171 HydrophobicContact CD1-CG1 3.69Å; I132-V171 HydrophobicContact CG1-CG1 4.24Å; I132-V172 PolarHBondContact N-O 3.3Å; I132-V173 HydrophobicContact CB-CG2 4.2Å; I132-V173 HydrophobicContact CD1-CG2 4.46Å; I132-V173 CarbonylContact O-C 3.59Å; I132-V173 WeakPolarHBondContact O-CA 3.36Å; I132-L174 PolarHBondContact O-N 3.43Å
133	F	98.8	Very high	96.4	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113	177.8	-67.7	-100.7	0	0	0	107.6	F57 A59 L93 L95 Y121 Y122 I124 F131 L174	F57-F133 HydrophobicContact CE2-CZ 4.18Å; A59-F133 HydrophobicContact CB-CE1 3.88Å; A59-F133 HydrophobicContact CB-CZ 4.4Å; L93-F133 HydrophobicContact CB-CE1 4.08Å; L93-F133 HydrophobicContact CB-CZ 4.21Å; L93-F133 HydrophobicContact CD1-CE1 4.31Å; L93-F133 HydrophobicContact CD1-CE2 4.11Å; L93-F133 HydrophobicContact CD1-CZ 3.59Å; L95-F133 HydrophobicContact CD1-CD1 3.88Å; L95-F133 HydrophobicContact CD2-CB 3.8Å; L95-F133 HydrophobicContact CD2-CD1 4.39Å; L95-F133 HydrophobicContact CG-CB 4.25Å; L95-F133 HydrophobicContact CG-CD1 3.89Å; Y121-F133 CarbonylContact C-O 3.52Å; Y121-F133 WeakPolarHBondContact CA-O 3.42Å; Y121-F133 WeakPolarHBondContact CB-O 3.19Å; Y122-F133 HydrophobicContact CD1-CB 4.24Å; Y122-F133 HydrophobicContact CD2-CB 4.21Å; Y122-F133 AromaticContact CD2-CD2 3.97Å; Y122-F133 HydrophobicContact CD2-CD2 3.97Å; Y122-F133 HydrophobicContact CD2-CG 4.21Å; Y122-F133 HydrophobicContact CE1-CB 4.04Å; Y122-F133 HydrophobicContact CE1-CG 4.39Å; Y122-F133 HydrophobicContact CE2-CB 4.02Å; Y122-F133 HydrophobicContact CE2-CD1 4.21Å; Y122-F133 AromaticContact CE2-CD2 3.6Å; Y122-F133 HydrophobicContact CE2-CD2 3.6Å; Y122-F133 HydrophobicContact CE2-CE2 4.11Å; Y122-F133 AromaticContact CE2-CG 3.67Å; Y122-F133 HydrophobicContact CE2-CG 3.67Å; Y122-F133 HydrophobicContact CG-CB 4.31Å; Y122-F133 AromaticContact CZ-CG 3.77Å; Y122-F133 PolarHBondContact N-O 3.49Å; Y122-F133 WeakPolarHBondContact O-CB 3.49Å; Y122-F133 PolarHBondContact O-N 3.29Å; I124-F133 HydrophobicContact CD1-CE2 4.34Å; I124-F133 HydrophobicContact CG1-CE2 4.02Å; F131-F133 HydrophobicContact CB-CD2 4.44Å; F131-F133 HydrophobicContact CB-CE2 3.73Å; F133-L174 WeakPolarHBondContact CA-O 3.25Å; F133-L174 HydrophobicContact CD1-CB 4.09Å; F133-L174 HydrophobicContact CE1-CB 4.21Å; F133-L174 HydrophobicContact CE1-CD1 4.17Å; F133-L174 HydrophobicContact CE1-CD2 4.02Å; F133-L174 HydrophobicContact CE1-CG 4.37Å; F133-L174 HydrophobicContact CE2-CD1 4.23Å; F133-L174 HydrophobicContact CZ-CD1 3.97Å; F133-L174 HydrophobicContact CZ-CD2 4.34Å
134	L	98.9	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.2	-177.2	-58.6	176.3	0	0	0	111.4	L95 I132 S136 F139 W155 L156 V173 L174 Q175 L209 L213	L95-L134 VanDerWaalsContact CD2-O 3.3Å; L95-L134 WeakPolarHBondContact CD2-O 3.27Å; I132-L134 HydrophobicContact CG2-CD2 3.65Å; I132-L134 HydrophobicContact CG2-CG 4.02Å; L134-S136 PolarHBondContact O-N 2.89Å; L134-S136 VanDerWaalsContact O-N 3.11Å; L134-F139 HydrophobicContact CB-CE2 4.08Å; L134-F139 HydrophobicContact CD1-CE2 4.01Å; L134-F139 HydrophobicContact CD1-CZ 4.37Å; L134-F139 HydrophobicContact CG-CE2 4.47Å; L134-W155 HydrophobicContact CD2-CH2 4.41Å; L134-W155 HydrophobicContact CD2-CZ3 3.77Å; L134-L156 HydrophobicContact CD2-CD1 4.19Å; L134-L156 HydrophobicContact CD2-CD2 4.33Å; L134-V173 HydrophobicContact CD1-CG1 3.63Å; L134-V173 HydrophobicContact CG-CG1 4.13Å; L134-L174 PolarHBondContact N-O 3.49Å; L134-Q175 HydrophobicContact CB-CB 4.06Å; L134-Q175 WeakPolarHBondContact O-CB 3.35Å; L134-L209 HydrophobicContact CD1-CD1 4.13Å; L134-L213 HydrophobicContact CD1-CD1 4.44Å
135	N	98.7	Very high	95.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.			trans	-73.7	99.4	163.6	-177.6	-18.4	0	0	0	108.2	C96 D120 Y121 Q137 L138 Q152	C96-N135 PolarHBondContact SG-ND2 3.42Å; C96-N135 VanDerWaalsContact SG-ND2 3.45Å; D120-N135 HydrophobicContact CB-CB 4.43Å; D120-N135 PolarHBondContact OD2-ND2 2.9Å; Y121-N135 HydrophobicContact CD1-CB 4.44Å; N135-Q137 VanDerWaalsContact C-N 3.25Å; N135-Q137 PolarHBondContact O-N 2.86Å; N135-Q137 PolarHBondContact OD1-N 2.82Å; N135-Q137 VanDerWaalsContact OD1-N 3.14Å; N135-L138 HydrophobicContact CB-CD1 3.98Å; N135-L138 HydrophobicContact CB-CG 4.04Å; N135-L138 PolarHBondContact O-N 3.2Å; N135-Q152 PolarHBondContact O-NE2 3.05Å
136	S	98.3	Very high	95.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.9	-27.2	-176.4	49.8	0	0	0	0	113.4	L134 L138 F139 F140 V177 L200	L134-S136 PolarHBondContact O-N 2.89Å; L134-S136 VanDerWaalsContact O-N 3.11Å; S136-L138 VanDerWaalsContact C-N 3.27Å; S136-L138 PolarHBondContact O-N 2.72Å; S136-F139 WeakPolarHBondContact O-CB 3.41Å; S136-F139 PolarHBondContact O-N 2.93Å; S136-F140 WeakPolarHBondContact O-CD2 3.3Å; S136-V177 PolarHBondContact OG-N 3.45Å; S136-L200 WeakPolarHBondContact O-CD2 3.46Å
137	Q	96.3	Very high	95.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-70	-23.6	-180	-78.9	-150.4	-78.4	0	0	113.2	N98 I101 G102 D103 N135 F139 F140 Y142	N98-Q137 VanDerWaalsContact CA-OE1 3.3Å; I101-Q137 HydrophobicContact CD1-CB 4.02Å; I101-Q137 HydrophobicContact CD1-CG 4.45Å; G102-Q137 PolarHBondContact O-NE2 3.16Å; G102-Q137 PolarHBondContact O-OE1 2.61Å; G102-Q137 VanDerWaalsContact O-OE1 3.08Å; D103-Q137 PolarHBondContact O-NE2 2.85Å; N135-Q137 VanDerWaalsContact C-N 3.25Å; N135-Q137 PolarHBondContact O-N 2.86Å; N135-Q137 PolarHBondContact OD1-N 2.82Å; N135-Q137 VanDerWaalsContact OD1-N 3.14Å; Q137-F139 PolarHBondContact O-N 3.11Å; Q137-F139 VanDerWaalsContact O-N 3.13Å; Q137-F140 HydrophobicContact CG-CE2 4.49Å; Q137-F140 WeakPolarHBondContact O-CB 3.31Å; Q137-F140 PolarHBondContact O-N 3.01Å; Q137-F140 VanDerWaalsContact O-N 3.14Å; Q137-Y142 HydrophobicContact CB-CE2 4.28Å; Q137-Y142 PolarHBondContact NE2-OH 3Å; Q137-Y142 WeakPolarHBondContact O-CD2 3.21Å; Q137-Y142 VanDerWaalsContact O-CE2 3.24Å; Q137-Y142 WeakPolarHBondContact O-CE2 3.35Å
138	L	97.1	Very high	95.7	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-68.8	-5.2	171.1	-60.7	-177.1	0	0	0	113.2	Y121 N135 S136 F145 E148 S149 Q152	Y121-L138 HydrophobicContact CD1-CD1 4.13Å; Y121-L138 HydrophobicContact CE1-CD1 4.19Å; N135-L138 HydrophobicContact CB-CD1 3.98Å; N135-L138 HydrophobicContact CB-CG 4.04Å; N135-L138 PolarHBondContact O-N 3.2Å; S136-L138 VanDerWaalsContact C-N 3.27Å; S136-L138 PolarHBondContact O-N 2.72Å; L138-F145 HydrophobicContact CD2-CD1 3.43Å; L138-F145 VanDerWaalsContact CD2-CD1 3.43Å; L138-F145 HydrophobicContact CD2-CE1 3.75Å; L138-E148 HydrophobicContact CD2-CB 3.95Å; L138-S149 WeakPolarHBondContact O-CB 3.39Å; L138-S149 PolarHBondContact O-OG 3.1Å; L138-S149 VanDerWaalsContact O-OG 3.1Å; L138-Q152 HydrophobicContact CD1-CB 3.86Å
139	F	97.2	Very high	95.8	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-103.1	9.4	173.1	-55.9	-54.8	0	0	0	113.7	L134 S136 Q137 G141 Q152 W153 L156 L200 I205 L209	L134-F139 HydrophobicContact CB-CE2 4.08Å; L134-F139 HydrophobicContact CD1-CE2 4.01Å; L134-F139 HydrophobicContact CD1-CZ 4.37Å; L134-F139 HydrophobicContact CG-CE2 4.47Å; S136-F139 WeakPolarHBondContact O-CB 3.41Å; S136-F139 PolarHBondContact O-N 2.93Å; Q137-F139 PolarHBondContact O-N 3.11Å; Q137-F139 VanDerWaalsContact O-N 3.13Å; F139-G141 VanDerWaalsContact C-N 3.31Å; F139-Q152 HydrophobicContact CZ-CG 4.36Å; F139-W153 AromaticContact CD1-CE2 3.74Å; F139-W153 HydrophobicContact CD1-CH2 4.37Å; F139-W153 AromaticContact CD1-CZ2 3.58Å; F139-W153 HydrophobicContact CD1-CZ2 3.58Å; F139-W153 AromaticContact CD1-NE1 3.85Å; F139-W153 HydrophobicContact CE1-CD2 4.04Å; F139-W153 AromaticContact CE1-CE2 3.55Å; F139-W153 HydrophobicContact CE1-CE3 4.44Å; F139-W153 HydrophobicContact CE1-CH2 4.05Å; F139-W153 AromaticContact CE1-CZ2 3.56Å; F139-W153 HydrophobicContact CE1-CZ2 3.56Å; F139-W153 HydrophobicContact CE1-CZ3 4.45Å; F139-W153 AromaticContact CE1-NE1 3.89Å; F139-L156 HydrophobicContact CZ-CD2 4.47Å; F139-L200 HydrophobicContact CB-CD1 3.97Å; F139-L200 HydrophobicContact CB-CD2 3.97Å; F139-L200 HydrophobicContact CD2-CD1 4.4Å; F139-I205 HydrophobicContact CB-CG2 3.86Å; F139-I205 HydrophobicContact CD1-CG2 4.18Å; F139-I205 HydrophobicContact CG-CG2 4.44Å; F139-I205 WeakPolarHBondContact O-CG2 3.43Å; F139-L209 HydrophobicContact CD2-CD2 3.71Å; F139-L209 HydrophobicContact CE1-CD1 4.24Å; F139-L209 HydrophobicContact CE2-CD1 4.06Å; F139-L209 HydrophobicContact CE2-CD2 3.71Å; F139-L209 HydrophobicContact CG-CD2 4.19Å; F139-L209 HydrophobicContact CZ-CD1 3.76Å; F139-L209 HydrophobicContact CZ-CD2 4.18Å
140	F	95.1	Very high	95.9	Very high	15 Å²	15	37.8 Å²	37.8	7%	0.066	20%	0.2	C	C	.	.	S	Bend	trans	-81.1	-9.7	177.5	-86.3	-124.5	0	0	0	113.6	S136 Q137 Y142 V177 M196 L200 P201	S136-F140 WeakPolarHBondContact O-CD2 3.3Å; Q137-F140 HydrophobicContact CG-CE2 4.49Å; Q137-F140 WeakPolarHBondContact O-CB 3.31Å; Q137-F140 PolarHBondContact O-N 3.01Å; Q137-F140 VanDerWaalsContact O-N 3.14Å; F140-Y142 HydrophobicContact CB-CD1 4.35Å; F140-Y142 HydrophobicContact CB-CD2 3.93Å; F140-Y142 HydrophobicContact CB-CE1 3.93Å; F140-Y142 HydrophobicContact CB-CE2 3.45Å; F140-Y142 VanDerWaalsContact CB-CE2 3.45Å; F140-Y142 HydrophobicContact CB-CG 4.35Å; F140-Y142 VanDerWaalsContact CB-CZ 3.45Å; F140-Y142 HydrophobicContact CD1-CE1 4.34Å; F140-Y142 HydrophobicContact CD1-CE2 4.48Å; F140-Y142 AromaticContact CD1-CZ 3.79Å; F140-Y142 VanDerWaalsContact CD1-OH 3.23Å; F140-Y142 WeakPolarHBondContact CD1-OH 3.29Å; F140-Y142 HydrophobicContact CG-CE2 4.06Å; F140-Y142 AromaticContact CG-CZ 3.82Å; F140-V177 HydrophobicContact CE2-CB 4.2Å; F140-V177 HydrophobicContact CE2-CG1 4.1Å; F140-V177 HydrophobicContact CE2-CG2 3.97Å; F140-V177 HydrophobicContact CZ-CB 4.45Å; F140-V177 HydrophobicContact CZ-CG1 4.06Å; F140-V177 HydrophobicContact CZ-CG2 4Å; F140-M196 HydrophobicContact CE1-CE 4.13Å; F140-M196 HydrophobicContact CE1-SD 4.29Å; F140-M196 HydrophobicContact CZ-CE 4.27Å; F140-L200 HydrophobicContact CD2-CD2 3.93Å; F140-L200 HydrophobicContact CE2-CD2 3.71Å; F140-P201 HydrophobicContact CB-CG 4.17Å; F140-P201 HydrophobicContact CD1-CG 3.65Å; F140-P201 HydrophobicContact CE1-CG 4.13Å; F140-P201 HydrophobicContact CG-CG 3.87Å
141	G	91.8	Very high	96	Very high	40 Å²	40	42 Å²	42	41%	0.412	22%	0.221	S	C	.	.			trans	76.3	28.2	179.4	0	0	0	0	0	114	F139 R143	F139-G141 VanDerWaalsContact C-N 3.31Å; G141-R143 PolarHBondContact O-N 2.83Å
142	Y	91.5	Very high	96	Very high	39 Å²	39	42 Å²	42	15%	0.153	22%	0.221	C	C	.	.			trans	-61.1	125.1	176.3	-60.1	-56	0	0	0	111.5	D103 P105 Q137 F140 D144 F145	D103-Y142 PolarHBondContact O-OH 3.32Å; P105-Y142 VanDerWaalsContact CD-CE2 3.41Å; P105-Y142 HydrophobicContact CG-CD2 3.95Å; P105-Y142 HydrophobicContact CG-CE2 3.73Å; Q137-Y142 HydrophobicContact CB-CE2 4.28Å; Q137-Y142 PolarHBondContact NE2-OH 3Å; Q137-Y142 WeakPolarHBondContact O-CD2 3.21Å; Q137-Y142 VanDerWaalsContact O-CE2 3.24Å; Q137-Y142 WeakPolarHBondContact O-CE2 3.35Å; F140-Y142 HydrophobicContact CB-CD1 4.35Å; F140-Y142 HydrophobicContact CB-CD2 3.93Å; F140-Y142 HydrophobicContact CB-CE1 3.93Å; F140-Y142 HydrophobicContact CB-CE2 3.45Å; F140-Y142 VanDerWaalsContact CB-CE2 3.45Å; F140-Y142 HydrophobicContact CB-CG 4.35Å; F140-Y142 VanDerWaalsContact CB-CZ 3.45Å; F140-Y142 HydrophobicContact CD1-CE1 4.34Å; F140-Y142 HydrophobicContact CD1-CE2 4.48Å; F140-Y142 AromaticContact CD1-CZ 3.79Å; F140-Y142 VanDerWaalsContact CD1-OH 3.23Å; F140-Y142 WeakPolarHBondContact CD1-OH 3.29Å; F140-Y142 HydrophobicContact CG-CE2 4.06Å; F140-Y142 AromaticContact CG-CZ 3.82Å; Y142-D144 VanDerWaalsContact C-N 3.32Å; Y142-D144 PolarHBondContact O-N 2.81Å; Y142-F145 PolarHBondContact O-N 3.14Å; Y142-F145 VanDerWaalsContact O-N 3.17Å
143	R	89.2	Confident	96	Very high	226 Å²	226	44.1 Å²	44.1	85%	0.853	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-63.3	-34.7	-177.2	-66.9	-176.1	179	-171.7	-0.2	113.6	G141 F145 V146	G141-R143 PolarHBondContact O-N 2.83Å; R143-F145 PolarHBondContact O-N 3.25Å; R143-V146 VanDerWaalsContact O-CG2 3.3Å; R143-V146 WeakPolarHBondContact O-CG2 3.33Å
144	D	90.2	Very high	96	Very high	156 Å²	156	48 Å²	48	83%	0.834	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-84.6	3.5	-178.4	-57.4	-33.2	0	0	0	112.7	Y142	Y142-D144 VanDerWaalsContact C-N 3.32Å; Y142-D144 PolarHBondContact O-N 2.81Å
145	F	91.9	Very high	95.9	Very high	5 Å²	5	51 Å²	51	2%	0.022	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-126.7	17.7	-172.1	-112.7	-115.2	0	0	0	113.1	P105 T106 I107 L110 L138 Y142 R143 D147 E148 S149	P105-F145 HydrophobicContact CB-CE1 4.13Å; P105-F145 HydrophobicContact CB-CE2 4.48Å; P105-F145 HydrophobicContact CB-CZ 3.93Å; P105-F145 HydrophobicContact CG-CD1 4.36Å; P105-F145 HydrophobicContact CG-CE1 4.09Å; P105-F145 HydrophobicContact CG-CZ 4.26Å; P105-F145 VanDerWaalsContact O-CE2 3.23Å; P105-F145 WeakPolarHBondContact O-CE2 3.19Å; T106-F145 VanDerWaalsContact CA-CE2 3.47Å; T106-F145 WeakPolarHBondContact O-CZ 3.22Å; I107-F145 HydrophobicContact CD1-CD2 4.38Å; I107-F145 HydrophobicContact CD1-CE2 3.87Å; I107-F145 HydrophobicContact CD1-CZ 4.05Å; I107-F145 HydrophobicContact CG1-CE2 4.23Å; L110-F145 HydrophobicContact CB-CZ 4.35Å; L110-F145 HydrophobicContact CD2-CE1 3.95Å; L110-F145 HydrophobicContact CD2-CZ 4.3Å; L138-F145 HydrophobicContact CD2-CD1 3.43Å; L138-F145 VanDerWaalsContact CD2-CD1 3.43Å; L138-F145 HydrophobicContact CD2-CE1 3.75Å; Y142-F145 PolarHBondContact O-N 3.14Å; Y142-F145 VanDerWaalsContact O-N 3.17Å; R143-F145 PolarHBondContact O-N 3.25Å; F145-D147 VanDerWaalsContact C-N 3.3Å; F145-D147 PolarHBondContact O-N 3.49Å; F145-E148 HydrophobicContact CD1-CB 3.95Å; F145-E148 HydrophobicContact CD1-CG 4.4Å; F145-E148 HydrophobicContact CE1-CB 4.21Å; F145-E148 HydrophobicContact CE1-CG 4.29Å; F145-E148 PolarHBondContact O-N 2.98Å; F145-S149 WeakPolarHBondContact O-CB 3.31Å; F145-S149 PolarHBondContact O-N 3.18Å; F145-S149 PolarHBondContact O-OG 2.8Å
146	V	94.8	Very high	95.9	Very high	89 Å²	89	51 Å²	51	54%	0.539	26%	0.264	S	S	.	.	H	α-helix	trans	-57.3	-43	-177.4	172	0	0	0	0	111.4	R143 S149 A150	R143-V146 VanDerWaalsContact O-CG2 3.3Å; R143-V146 WeakPolarHBondContact O-CG2 3.33Å; V146-S149 PolarHBondContact O-N 3.48Å; V146-A150 VanDerWaalsContact O-CB 3.27Å; V146-A150 WeakPolarHBondContact O-CB 3.41Å; V146-A150 PolarHBondContact O-N 2.78Å
147	D	97.3	Very high	95.9	Very high	130 Å²	130	53.1 Å²	53.1	70%	0.695	28%	0.277	S	S	*	.	H	α-helix	trans	-67.6	-48.3	-177.3	-66.6	-21.3	0	0	0	112.2	F145 S149 A150 M151	F145-D147 VanDerWaalsContact C-N 3.3Å; F145-D147 PolarHBondContact O-N 3.49Å; D147-S149 VanDerWaalsContact C-N 3.3Å; D147-S149 PolarHBondContact O-N 3.16Å; D147-A150 PolarHBondContact O-N 2.84Å; D147-M151 VanDerWaalsContact O-CG 3.3Å; D147-M151 WeakPolarHBondContact O-CG 3.35Å; D147-M151 PolarHBondContact O-N 2.68Å
148	E	97.6	Very high	95.9	Very high	21 Å²	21	57.8 Å²	57.8	10%	0.098	30%	0.302	C	S	.	.	H	α-helix	trans	-62.2	-39.4	176.1	-71.6	-74	171.2	0	0	111.2	I107 L110 R114 L138 F145 M151 Q152	I107-E148 HydrophobicContact CD1-CG 3.5Å; L110-E148 HydrophobicContact CD2-CB 4.39Å; L110-E148 HydrophobicContact CD2-CG 3.87Å; L110-E148 WeakPolarHBondContact CD2-OE2 3.32Å; R114-E148 IonicContact CZ-OE2 3.41Å; R114-E148 IonicContact NH1-OE1 3.13Å; R114-E148 PolarHBondContact NH1-OE1 2.91Å; R114-E148 VanDerWaalsContact NH1-OE1 3.13Å; R114-E148 IonicContact NH1-OE2 3.12Å; R114-E148 PolarHBondContact NH1-OE2 3.41Å; R114-E148 VanDerWaalsContact NH1-OE2 3.12Å; R114-E148 IonicContact NH2-OE2 3.7Å; R114-E148 PolarHBondContact NH2-OE2 3.15Å; L138-E148 HydrophobicContact CD2-CB 3.95Å; F145-E148 HydrophobicContact CD1-CB 3.95Å; F145-E148 HydrophobicContact CD1-CG 4.4Å; F145-E148 HydrophobicContact CE1-CB 4.21Å; F145-E148 HydrophobicContact CE1-CG 4.29Å; F145-E148 PolarHBondContact O-N 2.98Å; E148-M151 WeakPolarHBondContact O-CB 3.43Å; E148-M151 PolarHBondContact O-N 3.03Å; E148-Q152 PolarHBondContact O-N 2.64Å; E148-Q152 VanDerWaalsContact O-N 3.12Å
149	S	97.5	Very high	95.8	Very high	13 Å²	13	58.3 Å²	58.3	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-44.1	175.1	-53.6	0	0	0	0	111.3	L138 F145 V146 D147 M151 Q152 W153	L138-S149 WeakPolarHBondContact O-CB 3.39Å; L138-S149 PolarHBondContact O-OG 3.1Å; L138-S149 VanDerWaalsContact O-OG 3.1Å; F145-S149 WeakPolarHBondContact O-CB 3.31Å; F145-S149 PolarHBondContact O-N 3.18Å; F145-S149 PolarHBondContact O-OG 2.8Å; V146-S149 PolarHBondContact O-N 3.48Å; D147-S149 VanDerWaalsContact C-N 3.3Å; D147-S149 PolarHBondContact O-N 3.16Å; S149-M151 VanDerWaalsContact C-N 3.32Å; S149-M151 PolarHBondContact O-N 3.26Å; S149-Q152 PolarHBondContact O-N 3Å; S149-W153 PolarHBondContact O-N 3.37Å
150	A	98.1	Very high	95.7	Very high	44 Å²	44	58.5 Å²	58.5	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-35.5	177	0	0	0	0	0	112.4	V146 D147 W153 T154	V146-A150 VanDerWaalsContact O-CB 3.27Å; V146-A150 WeakPolarHBondContact O-CB 3.41Å; V146-A150 PolarHBondContact O-N 2.78Å; D147-A150 PolarHBondContact O-N 2.84Å; A150-W153 PolarHBondContact O-N 3.26Å; A150-T154 WeakPolarHBondContact O-CB 3.26Å; A150-T154 PolarHBondContact O-N 3.28Å; A150-T154 PolarHBondContact O-OG1 3.11Å
151	M	98.4	Very high	95.5	Very high	99 Å²	99	62.1 Å²	62.1	49%	0.488	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-47.9	174.3	-72.4	172.9	62.6	0	0	111.7	D147 E148 S149 W153 T154 W155	D147-M151 VanDerWaalsContact O-CG 3.3Å; D147-M151 WeakPolarHBondContact O-CG 3.35Å; D147-M151 PolarHBondContact O-N 2.68Å; E148-M151 WeakPolarHBondContact O-CB 3.43Å; E148-M151 PolarHBondContact O-N 3.03Å; S149-M151 VanDerWaalsContact C-N 3.32Å; S149-M151 PolarHBondContact O-N 3.26Å; M151-W153 PolarHBondContact O-N 3.33Å; M151-T154 PolarHBondContact O-N 2.89Å; M151-W155 WeakPolarHBondContact O-CB 3.33Å; M151-W155 PolarHBondContact O-N 2.9Å
152	Q	98.6	Very high	95.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-40.1	175.2	-176.3	173.8	-115	0	0	111.5	Y121 N135 L138 F139 E148 S149 T154 W155 L156	Y121-Q152 HydrophobicContact CD1-CB 4.12Å; Y121-Q152 HydrophobicContact CD1-CG 4.11Å; Y121-Q152 HydrophobicContact CD2-CG 4.2Å; Y121-Q152 HydrophobicContact CE1-CB 3.98Å; Y121-Q152 HydrophobicContact CE1-CG 4.44Å; Y121-Q152 HydrophobicContact CE2-CB 4.45Å; Y121-Q152 HydrophobicContact CG-CB 4.43Å; Y121-Q152 HydrophobicContact CG-CG 4Å; N135-Q152 PolarHBondContact O-NE2 3.05Å; L138-Q152 HydrophobicContact CD1-CB 3.86Å; F139-Q152 HydrophobicContact CZ-CG 4.36Å; E148-Q152 PolarHBondContact O-N 2.64Å; E148-Q152 VanDerWaalsContact O-N 3.12Å; S149-Q152 PolarHBondContact O-N 3Å; Q152-T154 PolarHBondContact O-N 3.39Å; Q152-W155 HydrophobicContact CG-CE3 4.21Å; Q152-W155 PolarHBondContact O-N 3.24Å; Q152-L156 VanDerWaalsContact O-CB 3.25Å; Q152-L156 WeakPolarHBondContact O-CB 3.34Å; Q152-L156 PolarHBondContact O-N 3.01Å
153	W	98.4	Very high	95.2	Very high	45 Å²	45	61 Å²	61	17%	0.17	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-41.8	177.2	-85.6	118.9	0	0	0	113.7	F139 S149 A150 M151 L156 T157 I205 N208 L209 K212	F139-W153 AromaticContact CD1-CE2 3.74Å; F139-W153 HydrophobicContact CD1-CH2 4.37Å; F139-W153 AromaticContact CD1-CZ2 3.58Å; F139-W153 HydrophobicContact CD1-CZ2 3.58Å; F139-W153 AromaticContact CD1-NE1 3.85Å; F139-W153 HydrophobicContact CE1-CD2 4.04Å; F139-W153 AromaticContact CE1-CE2 3.55Å; F139-W153 HydrophobicContact CE1-CE3 4.44Å; F139-W153 HydrophobicContact CE1-CH2 4.05Å; F139-W153 AromaticContact CE1-CZ2 3.56Å; F139-W153 HydrophobicContact CE1-CZ2 3.56Å; F139-W153 HydrophobicContact CE1-CZ3 4.45Å; F139-W153 AromaticContact CE1-NE1 3.89Å; S149-W153 PolarHBondContact O-N 3.37Å; A150-W153 PolarHBondContact O-N 3.26Å; M151-W153 PolarHBondContact O-N 3.33Å; W153-L156 HydrophobicContact CE3-CD2 4.4Å; W153-L156 HydrophobicContact CZ3-CD2 4.26Å; W153-T157 WeakPolarHBondContact O-CB 3.39Å; W153-T157 PolarHBondContact O-N 3.47Å; W153-T157 PolarHBondContact O-OG1 3.48Å; W153-I205 HydrophobicContact CZ2-CG2 3.88Å; W153-N208 HydrophobicContact CH2-CB 4.46Å; W153-L209 HydrophobicContact CH2-CB 3.71Å; W153-L209 HydrophobicContact CH2-CD1 4.1Å; W153-L209 HydrophobicContact CZ2-CB 4.45Å; W153-L209 HydrophobicContact CZ3-CD1 4.27Å; W153-K212 HydrophobicContact CE3-CD 4.43Å; W153-K212 HydrophobicContact CZ3-CD 4.15Å
154	T	98.5	Very high	94.8	Very high	84 Å²	84	56.7 Å²	56.7	52%	0.515	31%	0.305	S	S	.	.	H	α-helix	trans	-65.2	-51.5	177.4	-57	0	0	0	0	109.6	A150 M151 Q152 L156 T157 D158	A150-T154 WeakPolarHBondContact O-CB 3.26Å; A150-T154 PolarHBondContact O-N 3.28Å; A150-T154 PolarHBondContact O-OG1 3.11Å; M151-T154 PolarHBondContact O-N 2.89Å; Q152-T154 PolarHBondContact O-N 3.39Å; T154-L156 VanDerWaalsContact C-N 3.35Å; T154-L156 PolarHBondContact O-N 3.39Å; T154-T157 WeakPolarHBondContact O-CB 3.37Å; T154-T157 PolarHBondContact O-N 3.39Å; T154-T157 VanDerWaalsContact O-N 3.1Å; T154-D158 PolarHBondContact O-N 3.41Å
155	W	98.6	Very high	94.3	Very high	62 Å²	62	55 Å²	55	24%	0.235	30%	0.3	C	S	.	.	H	α-helix	trans	-56.5	-45.1	176.4	167	78.8	0	0	0	112.8	Y121 Y122 I132 L134 M151 Q152 T157 D158 L159	Y121-W155 AromaticContact CD2-CD2 3.66Å; Y121-W155 HydrophobicContact CD2-CD2 3.66Å; Y121-W155 AromaticContact CD2-CE3 3.43Å; Y121-W155 HydrophobicContact CD2-CE3 3.43Å; Y121-W155 VanDerWaalsContact CD2-CE3 3.43Å; Y121-W155 HydrophobicContact CD2-CG 4.27Å; Y121-W155 HydrophobicContact CD2-CH2 4.2Å; Y121-W155 HydrophobicContact CD2-CZ2 4.42Å; Y121-W155 AromaticContact CD2-CZ3 3.71Å; Y121-W155 HydrophobicContact CD2-CZ3 3.71Å; Y121-W155 HydrophobicContact CE2-CB 4.1Å; Y121-W155 AromaticContact CE2-CD2 3.76Å; Y121-W155 HydrophobicContact CE2-CD2 3.76Å; Y121-W155 AromaticContact CE2-CE3 3.84Å; Y121-W155 HydrophobicContact CE2-CE3 3.84Å; Y121-W155 AromaticContact CE2-CG 3.86Å; Y121-W155 HydrophobicContact CE2-CG 3.86Å; Y121-W155 HydrophobicContact CG-CE3 4.4Å; Y121-W155 HydrophobicContact CG-CZ3 4.4Å; Y122-W155 VanDerWaalsContact C-CZ2 3.42Å; Y122-W155 WeakPolarHBondContact O-CH2 3.49Å; I132-W155 HydrophobicContact CG2-CH2 3.88Å; I132-W155 HydrophobicContact CG2-CZ3 4.32Å; L134-W155 HydrophobicContact CD2-CH2 4.41Å; L134-W155 HydrophobicContact CD2-CZ3 3.77Å; M151-W155 WeakPolarHBondContact O-CB 3.33Å; M151-W155 PolarHBondContact O-N 2.9Å; Q152-W155 HydrophobicContact CG-CE3 4.21Å; Q152-W155 PolarHBondContact O-N 3.24Å; W155-T157 VanDerWaalsContact C-N 3.3Å; W155-T157 PolarHBondContact O-N 2.96Å; W155-D158 PolarHBondContact O-N 2.91Å; W155-L159 HydrophobicContact CH2-CD2 3.87Å; W155-L159 HydrophobicContact CZ2-CD2 3.7Å; W155-L159 WeakPolarHBondContact O-CB 3.34Å; W155-L159 PolarHBondContact O-N 3.49Å
156	L	98.2	Very high	93.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.3	-37.5	178.7	179.4	59	0	0	0	111.4	I132 L134 F139 Q152 W153 T154 L159 C160 L209 K212 L213	I132-L156 HydrophobicContact CG2-CD1 4.18Å; L134-L156 HydrophobicContact CD2-CD1 4.19Å; L134-L156 HydrophobicContact CD2-CD2 4.33Å; F139-L156 HydrophobicContact CZ-CD2 4.47Å; Q152-L156 VanDerWaalsContact O-CB 3.25Å; Q152-L156 WeakPolarHBondContact O-CB 3.34Å; Q152-L156 PolarHBondContact O-N 3.01Å; W153-L156 HydrophobicContact CE3-CD2 4.4Å; W153-L156 HydrophobicContact CZ3-CD2 4.26Å; T154-L156 VanDerWaalsContact C-N 3.35Å; T154-L156 PolarHBondContact O-N 3.39Å; L156-L159 PolarHBondContact O-N 3.02Å; L156-C160 WeakPolarHBondContact O-CB 3.36Å; L156-C160 PolarHBondContact O-N 3.49Å; L156-C160 PolarHBondContact O-SG 2.82Å; L156-C160 VanDerWaalsContact O-SG 3.32Å; L156-L209 HydrophobicContact CD2-CD1 3.64Å; L156-K212 HydrophobicContact CD2-CD 4.24Å; L156-K212 HydrophobicContact CG-CD 4.11Å; L156-L213 HydrophobicContact CD1-CD2 4.19Å; L156-L213 HydrophobicContact CD2-CD2 4.48Å
157	T	97	Very high	93.3	Very high	44 Å²	44	60.4 Å²	60.4	27%	0.27	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-45.7	176.5	-61.1	0	0	0	0	111.1	W153 T154 W155 L159 C160 N161 K212	W153-T157 WeakPolarHBondContact O-CB 3.39Å; W153-T157 PolarHBondContact O-N 3.47Å; W153-T157 PolarHBondContact O-OG1 3.48Å; T154-T157 WeakPolarHBondContact O-CB 3.37Å; T154-T157 PolarHBondContact O-N 3.39Å; T154-T157 VanDerWaalsContact O-N 3.1Å; W155-T157 VanDerWaalsContact C-N 3.3Å; W155-T157 PolarHBondContact O-N 2.96Å; T157-L159 VanDerWaalsContact C-N 3.35Å; T157-L159 PolarHBondContact O-N 3.47Å; T157-C160 PolarHBondContact O-N 2.9Å; T157-N161 VanDerWaalsContact O-CG 3.25Å; T157-N161 PolarHBondContact O-N 3.45Å; T157-N161 PolarHBondContact O-ND2 3.13Å; T157-K212 WeakPolarHBondContact OG1-CE 3.16Å; T157-K212 PolarHBondContact OG1-NZ 2.63Å
158	D	96.6	Very high	93	Very high	98 Å²	98	56.4 Å²	56.4	52%	0.524	31%	0.308	S	S	.	.	H	α-helix	trans	-64	-41.1	176.7	-66.7	-22.4	0	0	0	111.7	T154 W155 N161 S162	T154-D158 PolarHBondContact O-N 3.41Å; W155-D158 PolarHBondContact O-N 2.91Å; D158-N161 WeakPolarHBondContact O-CB 3.29Å; D158-N161 PolarHBondContact O-N 2.99Å; D158-S162 PolarHBondContact O-N 3.06Å
159	L	96.2	Very high	92.8	Very high	14 Å²	14	60.3 Å²	60.3	7%	0.073	32%	0.322	C	S	.	.	H	α-helix	trans	-61.2	-47.5	175.3	-176.4	66.6	0	0	0	111.4	K130 I132 W155 L156 T157 N161 S162 V163	K130-L159 HydrophobicContact CD-CD1 4.2Å; I132-L159 HydrophobicContact CB-CD2 4.47Å; I132-L159 HydrophobicContact CD1-CD2 3.9Å; I132-L159 HydrophobicContact CG1-CD2 3.88Å; I132-L159 HydrophobicContact CG2-CD2 3.93Å; W155-L159 HydrophobicContact CH2-CD2 3.87Å; W155-L159 HydrophobicContact CZ2-CD2 3.7Å; W155-L159 WeakPolarHBondContact O-CB 3.34Å; W155-L159 PolarHBondContact O-N 3.49Å; L156-L159 PolarHBondContact O-N 3.02Å; T157-L159 VanDerWaalsContact C-N 3.35Å; T157-L159 PolarHBondContact O-N 3.47Å; L159-N161 VanDerWaalsContact C-N 3.29Å; L159-N161 PolarHBondContact O-N 3.14Å; L159-S162 WeakPolarHBondContact O-CB 3.24Å; L159-S162 PolarHBondContact O-N 2.99Å; L159-S162 VanDerWaalsContact O-N 3.09Å; L159-S162 PolarHBondContact O-OG 3.36Å; L159-V163 WeakPolarHBondContact O-CG2 3.35Å; L159-V163 PolarHBondContact O-N 3.1Å; L159-V163 VanDerWaalsContact O-N 3.1Å
160	C	94.1	Very high	92.7	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.034	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-40.5	176.3	-76.8	0	0	0	0	111.9	L156 T157 S162 V163 F164 V216	L156-C160 WeakPolarHBondContact O-CB 3.36Å; L156-C160 PolarHBondContact O-N 3.49Å; L156-C160 PolarHBondContact O-SG 2.82Å; L156-C160 VanDerWaalsContact O-SG 3.32Å; T157-C160 PolarHBondContact O-N 2.9Å; C160-S162 VanDerWaalsContact C-N 3.29Å; C160-S162 PolarHBondContact O-N 3.38Å; C160-V163 PolarHBondContact O-N 2.97Å; C160-F164 WeakPolarHBondContact O-CD2 3.11Å; C160-V216 HydrophobicContact CB-CG1 3.61Å; C160-V216 WeakPolarHBondContact O-CG1 3.41Å
161	N	92.2	Very high	92.6	Very high	91 Å²	91	59.7 Å²	59.7	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-37.5	175.2	-68.9	-25.2	0	0	0	112.2	T157 D158 L159	T157-N161 VanDerWaalsContact O-CG 3.25Å; T157-N161 PolarHBondContact O-N 3.45Å; T157-N161 PolarHBondContact O-ND2 3.13Å; D158-N161 WeakPolarHBondContact O-CB 3.29Å; D158-N161 PolarHBondContact O-N 2.99Å; L159-N161 VanDerWaalsContact C-N 3.29Å; L159-N161 PolarHBondContact O-N 3.14Å
162	S	89.6	Confident	92.6	Very high	43 Å²	43	55 Å²	55	30%	0.301	29%	0.288	S	S	.	.	H	α-helix	trans	-69	-32.6	177.5	78.5	0	0	0	0	113.5	D158 L159 C160 F164 V165 L166	D158-S162 PolarHBondContact O-N 3.06Å; L159-S162 WeakPolarHBondContact O-CB 3.24Å; L159-S162 PolarHBondContact O-N 2.99Å; L159-S162 VanDerWaalsContact O-N 3.09Å; L159-S162 PolarHBondContact O-OG 3.36Å; C160-S162 VanDerWaalsContact C-N 3.29Å; C160-S162 PolarHBondContact O-N 3.38Å; S162-F164 VanDerWaalsContact C-N 3.33Å; S162-F164 PolarHBondContact O-N 3.1Å; S162-V165 PolarHBondContact O-N 3.3Å; S162-L166 PolarHBondContact O-N 3.14Å
163	V	87	Confident	92.6	Very high	13 Å²	13	55 Å²	55	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-35.7	-179.6	166.6	0	0	0	0	111.6	K130 L159 C160 V165 L166 Y168 V171 V216	K130-V163 HydrophobicContact CG-CG2 4.08Å; L159-V163 WeakPolarHBondContact O-CG2 3.35Å; L159-V163 PolarHBondContact O-N 3.1Å; L159-V163 VanDerWaalsContact O-N 3.1Å; C160-V163 PolarHBondContact O-N 2.97Å; V163-V165 PolarHBondContact O-N 3.38Å; V163-V165 VanDerWaalsContact O-N 3.1Å; V163-L166 PolarHBondContact O-N 3.31Å; V163-L166 VanDerWaalsContact O-O 3.13Å; V163-Y168 HydrophobicContact CG1-CD2 4.31Å; V163-Y168 HydrophobicContact CG2-CD2 4.25Å; V163-Y168 HydrophobicContact CG2-CE2 4.26Å; V163-V171 HydrophobicContact CG1-CG2 3.66Å; V163-V216 HydrophobicContact CB-CG1 4.47Å; V163-V216 HydrophobicContact CG1-CB 4.07Å; V163-V216 HydrophobicContact CG1-CG1 4.45Å
164	F	80.9	Confident	92.7	Very high	134 Å²	134	52.9 Å²	52.9	59%	0.588	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-18.6	176.4	-70.1	-65.4	0	0	0	114.1	C160 S162 A215 V216	C160-F164 WeakPolarHBondContact O-CD2 3.11Å; S162-F164 VanDerWaalsContact C-N 3.33Å; S162-F164 PolarHBondContact O-N 3.1Å; F164-A215 VanDerWaalsContact CE1-O 3.27Å; F164-A215 WeakPolarHBondContact CE1-O 3.29Å; F164-A215 HydrophobicContact CZ-CB 4.49Å; F164-A215 VanDerWaalsContact CZ-O 3.31Å; F164-A215 WeakPolarHBondContact CZ-O 3.36Å; F164-V216 HydrophobicContact CD2-CG1 4.19Å; F164-V216 HydrophobicContact CE1-CG1 4.15Å; F164-V216 HydrophobicContact CE2-CG1 3.56Å; F164-V216 HydrophobicContact CZ-CG1 3.54Å
165	V	78.3	Confident	92.7	Very high	120 Å²	120	48.9 Å²	48.9	73%	0.727	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-20.4	-175.1	-174.9	0	0	0	0	112	S162 V163	S162-V165 PolarHBondContact O-N 3.3Å; V163-V165 PolarHBondContact O-N 3.38Å; V163-V165 VanDerWaalsContact O-N 3.1Å
166	L	81.2	Confident	92.7	Very high	82 Å²	82	46 Å²	46	43%	0.429	24%	0.244	S	C	.	.	S	Bend	trans	-110.4	143.7	-172.1	-64.4	173.8	0	0	0	111.3	S162 V163 Y168	S162-L166 PolarHBondContact O-N 3.14Å; V163-L166 PolarHBondContact O-N 3.31Å; V163-L166 VanDerWaalsContact O-O 3.13Å; L166-Y168 HydrophobicContact CB-CD2 3.83Å; L166-Y168 HydrophobicContact CB-CE2 3.42Å; L166-Y168 VanDerWaalsContact CB-CE2 3.42Å; L166-Y168 HydrophobicContact CD1-CE2 3.74Å; L166-Y168 VanDerWaalsContact CD1-OH 3.25Å; L166-Y168 WeakPolarHBondContact CD1-OH 3.35Å; L166-Y168 HydrophobicContact CG-CE2 4.21Å; L166-Y168 PolarHBondContact O-N 3.01Å
167	P	84.5	Confident	92.7	Very high	126 Å²	126	46 Å²	46	82%	0.818	24%	0.244	S	C	*	.			trans	-81.8	53.3	-171.8	35.9	-38.4	0	0	0	112.6
168	Y	92.3	Very high	92.7	Very high	47 Å²	47	43.9 Å²	43.9	18%	0.184	23%	0.232	C	C	.	.			trans	-69.3	133.6	174.7	-61.5	-66.7	0	0	0	110.4	D125 K130 V163 L166	D125-Y168 HydrophobicContact CB-CE1 4.28Å; D125-Y168 VanDerWaalsContact CG-OH 3.27Å; D125-Y168 PolarHBondContact OD1-OH 2.82Å; D125-Y168 WeakPolarHBondContact OD2-CE1 3.33Å; D125-Y168 PolarHBondContact OD2-OH 3.46Å; K130-Y168 HydrophobicContact CB-CD1 4.13Å; K130-Y168 HydrophobicContact CB-CD2 4.13Å; K130-Y168 HydrophobicContact CB-CE1 4.38Å; K130-Y168 HydrophobicContact CB-CE2 4.35Å; K130-Y168 HydrophobicContact CB-CG 4.01Å; K130-Y168 WeakPolarHBondContact CE-OH 3.47Å; K130-Y168 PolarHBondContact NZ-OH 3.38Å; V163-Y168 HydrophobicContact CG1-CD2 4.31Å; V163-Y168 HydrophobicContact CG2-CD2 4.25Å; V163-Y168 HydrophobicContact CG2-CE2 4.26Å; L166-Y168 HydrophobicContact CB-CD2 3.83Å; L166-Y168 HydrophobicContact CB-CE2 3.42Å; L166-Y168 VanDerWaalsContact CB-CE2 3.42Å; L166-Y168 HydrophobicContact CD1-CE2 3.74Å; L166-Y168 VanDerWaalsContact CD1-OH 3.25Å; L166-Y168 WeakPolarHBondContact CD1-OH 3.35Å; L166-Y168 HydrophobicContact CG-CE2 4.21Å; L166-Y168 PolarHBondContact O-N 3.01Å
169	R	92.4	Very high	92.8	Very high	103 Å²	103	39.2 Å²	39.2	39%	0.389	21%	0.207	S	C	.	.	S	Bend	trans	-72.1	-40.9	174.7	-74.5	-171.2	163.6	-84.4	-0.5	112.2	D128 K260 E261	D128-R169 HydrophobicContact CB-CG 4.28Å; D128-R169 PolarHBondContact O-N 2.78Å; R169-K260 WeakPolarHBondContact CD-O 3.23Å; R169-K260 VanDerWaalsContact NH1-C 3.34Å; R169-K260 VanDerWaalsContact NH1-CB 3.31Å; R169-K260 PolarHBondContact NH1-O 2.98Å; R169-E261 IonicContact CZ-OE1 3.7Å; R169-E261 IonicContact NH1-OE1 3.16Å; R169-E261 PolarHBondContact NH1-OE1 3.39Å
170	H	95.7	Very high	92.9	Very high	29 Å²	29	38.6 Å²	38.6	13%	0.134	20%	0.203	C	C	.	.			trans	-132.5	152.8	177.8	-55	-74	0	0	0	111.5	S129 K130 V172 Y259 K260 H262 I263	S129-H170 CarbonylContact C-O 3.54Å; S129-H170 WeakPolarHBondContact CA-O 3.49Å; S129-H170 WeakPolarHBondContact CB-O 3.41Å; S129-H170 WeakPolarHBondContact OG-CB 3.26Å; S129-H170 PolarHBondContact OG-CD2 3.23Å; K130-H170 PolarHBondContact N-O 3.04Å; H170-V172 HydrophobicContact CB-CG2 4.22Å; H170-Y259 PolarHBondContact NE2-O 3.29Å; H170-K260 PolarHBondContact NE2-O 3.24Å; H170-H262 PolarHBondContact CE1-N 3.44Å; H170-I263 HydrophobicContact CB-CD1 3.85Å
171	V	97	Very high	93.1	Very high	14 Å²	14	39.1 Å²	39.1	9%	0.085	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	113.9	166.3	-169.5	0	0	0	0	107.3	K130 I132 V163 V216 V218	K130-V171 HydrophobicContact CB-CG1 4.26Å; K130-V171 HydrophobicContact CB-CG2 4.4Å; K130-V171 HydrophobicContact CG-CG1 4.29Å; K130-V171 WeakPolarHBondContact O-CA 3.45Å; I132-V171 HydrophobicContact CD1-CG1 3.69Å; I132-V171 HydrophobicContact CG1-CG1 4.24Å; V163-V171 HydrophobicContact CG1-CG2 3.66Å; V171-V216 HydrophobicContact CG1-CG2 4.4Å; V171-V216 WeakPolarHBondContact CG2-O 3.32Å; V171-V218 HydrophobicContact CB-CG2 3.89Å; V171-V218 HydrophobicContact CG1-CG2 3.55Å
172	V	98	Very high	93.3	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.5	-173.6	-178.9	0	0	0	0	109.2	F16 K130 F131 I132 H170 L174 F222 I263	F16-V172 HydrophobicContact CZ-CG1 4.47Å; K130-V172 PolarHBondContact O-N 3.2Å; F131-V172 CarbonylContact C-O 3.58Å; F131-V172 WeakPolarHBondContact CA-O 3.5Å; F131-V172 HydrophobicContact CD1-CB 3.67Å; F131-V172 HydrophobicContact CD1-CG1 4.02Å; F131-V172 HydrophobicContact CD1-CG2 4.29Å; F131-V172 HydrophobicContact CE1-CB 3.8Å; F131-V172 HydrophobicContact CE1-CG1 4.09Å; F131-V172 HydrophobicContact CE1-CG2 3.94Å; I132-V172 PolarHBondContact N-O 3.3Å; H170-V172 HydrophobicContact CB-CG2 4.22Å; V172-L174 HydrophobicContact CG1-CD1 4.22Å; V172-F222 HydrophobicContact CG1-CD2 3.64Å; V172-F222 HydrophobicContact CG1-CE2 3.64Å; V172-I263 HydrophobicContact CG2-CD1 3.34Å
173	V	98.7	Very high	93.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.7	177.8	176.3	0	0	0	0	110	I132 L134 L213 V218 Q220 I221 F222	I132-V173 HydrophobicContact CB-CG2 4.2Å; I132-V173 HydrophobicContact CD1-CG2 4.46Å; I132-V173 CarbonylContact O-C 3.59Å; I132-V173 WeakPolarHBondContact O-CA 3.36Å; L134-V173 HydrophobicContact CD1-CG1 3.63Å; L134-V173 HydrophobicContact CG-CG1 4.13Å; V173-L213 HydrophobicContact CG1-CD1 4.38Å; V173-L213 HydrophobicContact CG2-CD1 3.97Å; V173-L213 HydrophobicContact CG2-CD2 3.75Å; V173-L213 HydrophobicContact CG2-CG 4.38Å; V173-V218 HydrophobicContact CB-CG1 4.32Å; V173-V218 HydrophobicContact CG2-CB 4.43Å; V173-V218 HydrophobicContact CG2-CG1 3.73Å; V173-V218 HydrophobicContact CG2-CG2 3.81Å; V173-Q220 PolarHBondContact N-O 3.1Å; V173-I221 HydrophobicContact CB-CG1 4.22Å; V173-I221 HydrophobicContact CB-CG2 4.26Å; V173-I221 HydrophobicContact CG1-CG2 4.06Å; V173-I221 WeakPolarHBondContact O-CA 3.29Å; V173-F222 PolarHBondContact O-N 3.4Å
174	L	98.9	Very high	94	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.6	170.1	-60.5	93.9	0	0	0	108.5	F16 I18 A59 V61 L95 F131 I132 F133 L134 V172 F222	F16-L174 HydrophobicContact CE2-CD2 4.31Å; I18-L174 HydrophobicContact CD1-CD2 4.37Å; A59-L174 HydrophobicContact CB-CD2 3.42Å; A59-L174 VanDerWaalsContact CB-CD2 3.42Å; V61-L174 HydrophobicContact CG1-CB 4.4Å; V61-L174 HydrophobicContact CG1-CD2 4.14Å; L95-L174 HydrophobicContact CD1-CB 3.91Å; L95-L174 WeakPolarHBondContact CD1-O 3.4Å; F131-L174 HydrophobicContact CB-CD1 4.35Å; F131-L174 HydrophobicContact CD1-CD1 3.97Å; I132-L174 PolarHBondContact O-N 3.43Å; F133-L174 WeakPolarHBondContact CA-O 3.25Å; F133-L174 HydrophobicContact CD1-CB 4.09Å; F133-L174 HydrophobicContact CE1-CB 4.21Å; F133-L174 HydrophobicContact CE1-CD1 4.17Å; F133-L174 HydrophobicContact CE1-CD2 4.02Å; F133-L174 HydrophobicContact CE1-CG 4.37Å; F133-L174 HydrophobicContact CE2-CD1 4.23Å; F133-L174 HydrophobicContact CZ-CD1 3.97Å; F133-L174 HydrophobicContact CZ-CD2 4.34Å; L134-L174 PolarHBondContact N-O 3.49Å; V172-L174 HydrophobicContact CG1-CD1 4.22Å; L174-F222 WeakPolarHBondContact CA-O 3.36Å; L174-F222 HydrophobicContact CG-CB 4.35Å
175	Q	98.8	Very high	94.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	157.7	175.4	70.1	178.8	33.1	0	0	109.6	L134 V177 I221 F222 C223	L134-Q175 HydrophobicContact CB-CB 4.06Å; L134-Q175 WeakPolarHBondContact O-CB 3.35Å; Q175-V177 WeakPolarHBondContact CG-O 3.4Å; Q175-V177 PolarHBondContact NE2-O 2.88Å; Q175-I221 HydrophobicContact CG-CG2 4.31Å; Q175-F222 PolarHBondContact N-O 2.78Å; Q175-F222 VanDerWaalsContact N-O 3.1Å; Q175-C223 WeakPolarHBondContact O-CA 3.4Å; Q175-C223 WeakPolarHBondContact O-CB 3.41Å; Q175-C223 PolarHBondContact O-SG 3.4Å; Q175-C223 VanDerWaalsContact O-SG 3.34Å
176	H	98.7	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-70.8	-61.2	-176.8	176.2	68.2	0	0	0	112.9	D21 V61 G62 D63 C96 G97 N98 C223 G224 H225	D21-H176 IonicContact OD1-CE1 2.78Å; D21-H176 PolarHBondContact OD1-CE1 2.75Å; D21-H176 IonicContact OD1-ND1 2.73Å; V61-H176 VanDerWaalsContact O-CA 3.31Å; V61-H176 WeakPolarHBondContact O-CA 3.05Å; V61-H176 WeakPolarHBondContact O-CB 3.45Å; V61-H176 PolarHBondContact O-ND1 3.01Å; G62-H176 WeakPolarHBondContact CA-ND1 3.33Å; D63-H176 IonicContact OD1-CE1 3.82Å; D63-H176 IonicContact OD1-NE2 2.6Å; D63-H176 PolarHBondContact OD1-NE2 3.17Å; D63-H176 IonicContact OD2-CE1 3.46Å; D63-H176 PolarHBondContact OD2-CE1 2.82Å; D63-H176 IonicContact OD2-NE2 2.81Å; D63-H176 PolarHBondContact OD2-NE2 3.47Å; C96-H176 WeakPolarHBondContact O-CB 3.3Å; G97-H176 WeakPolarHBondContact CA-CD2 3.13Å; G97-H176 VanDerWaalsContact CA-CG 3.47Å; N98-H176 PolarHBondContact OD1-NE2 3.41Å; H176-C223 WeakPolarHBondContact O-CB 3.46Å; H176-G224 CarbonylContact O-C 3.56Å; H176-G224 PolarHBondContact O-N 3.14Å; H176-H225 AromaticContact CD2-ND1 3.68Å; H176-H225 AromaticContact CE1-ND1 3.84Å; H176-H225 AromaticContact NE2-CG 3.61Å; H176-H225 AromaticContact NE2-ND1 3Å; H176-H225 PolarHBondContact NE2-ND1 3.46Å
177	V	98.2	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-80.9	125.8	-178.1	-178	0	0	0	0	109.9	S136 F140 Q175 L200	S136-V177 PolarHBondContact OG-N 3.45Å; F140-V177 HydrophobicContact CE2-CB 4.2Å; F140-V177 HydrophobicContact CE2-CG1 4.1Å; F140-V177 HydrophobicContact CE2-CG2 3.97Å; F140-V177 HydrophobicContact CZ-CB 4.45Å; F140-V177 HydrophobicContact CZ-CG1 4.06Å; F140-V177 HydrophobicContact CZ-CG2 4Å; Q175-V177 WeakPolarHBondContact CG-O 3.4Å; Q175-V177 PolarHBondContact NE2-O 2.88Å; V177-L200 HydrophobicContact CB-CD2 4.44Å; V177-L200 HydrophobicContact CG1-CD2 4.32Å
178	P	98.4	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.			trans	-54.1	140.9	173.3	-26.1	34	0	0	0	112.7	F180 F198 N199 L200 C223 L226 V239 V241	P178-F180 WeakPolarHBondContact CB-O 3.3Å; P178-F180 PolarHBondContact O-N 3.1Å; P178-F198 WeakPolarHBondContact CD-O 3.38Å; P178-N199 CarbonylContact O-C 3.58Å; P178-N199 VanDerWaalsContact O-CA 3.26Å; P178-N199 WeakPolarHBondContact O-CA 3.22Å; P178-L200 PolarHBondContact O-N 2.97Å; P178-L200 VanDerWaalsContact O-N 3.16Å; P178-C223 HydrophobicContact CB-CB 4.46Å; P178-C223 HydrophobicContact CG-CB 3.91Å; P178-L226 HydrophobicContact CG-CD1 4.46Å; P178-L226 HydrophobicContact CG-CD2 4.26Å; P178-L226 HydrophobicContact CG-CG 4.14Å; P178-V239 HydrophobicContact CB-CG1 4Å; P178-V241 HydrophobicContact CB-CG2 4.43Å; P178-V241 HydrophobicContact CG-CG2 3.69Å
179	P	98.3	Very high	96.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.167	C	C	.	.	S	Bend	trans	-61.1	-39.2	170.2	25.4	-31	0	0	0	110.7	L200 R206 L210 I221 V239	P179-L200 HydrophobicContact CB-CD1 4.27Å; P179-L200 PolarHBondContact O-N 2.78Å; P179-R206 HydrophobicContact CB-CG 4.2Å; P179-R206 WeakPolarHBondContact O-CD 3.39Å; P179-R206 VanDerWaalsContact O-CZ 3.27Å; P179-R206 PolarHBondContact O-NE 3.1Å; P179-L210 HydrophobicContact CB-CD1 4.29Å; P179-L210 HydrophobicContact CB-CD2 4.08Å; P179-L210 HydrophobicContact CB-CG 4.37Å; P179-L210 HydrophobicContact CG-CD2 4.11Å; P179-I221 HydrophobicContact CG-CD1 4Å; P179-V239 HydrophobicContact CG-CG1 4.49Å; P179-V239 HydrophobicContact CG-CG2 3.7Å
180	F	98.1	Very high	96.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.			trans	-148.8	160.7	172.9	58.2	-89.5	0	0	0	110.4	P178 S183 L184 E186 L210 A232 D234 F237 V239	P178-F180 WeakPolarHBondContact CB-O 3.3Å; P178-F180 PolarHBondContact O-N 3.1Å; F180-S183 WeakPolarHBondContact CB-O 3.46Å; F180-L184 HydrophobicContact CD1-CD1 4.15Å; F180-L184 HydrophobicContact CD1-CG 4.25Å; F180-L184 HydrophobicContact CE1-CD1 3.52Å; F180-L184 HydrophobicContact CE1-CG 3.99Å; F180-L184 HydrophobicContact CE2-CD1 4.31Å; F180-L184 HydrophobicContact CZ-CD1 3.61Å; F180-E186 VanDerWaalsContact CA-OE1 3.3Å; F180-E186 WeakPolarHBondContact CA-OE1 3.3Å; F180-E186 HydrophobicContact CB-CG 4.32Å; F180-L210 HydrophobicContact CD1-CD1 3.92Å; F180-L210 HydrophobicContact CE1-CD1 3.86Å; F180-A232 HydrophobicContact CD2-CB 3.86Å; F180-A232 HydrophobicContact CE2-CB 3.66Å; F180-D234 HydrophobicContact CE2-CB 4.2Å; F180-D234 HydrophobicContact CZ-CB 4.4Å; F180-F237 HydrophobicContact CE1-CB 4.25Å; F180-F237 HydrophobicContact CZ-CB 4.05Å; F180-V239 HydrophobicContact CD1-CG2 4.08Å; F180-V239 HydrophobicContact CD2-CG2 4.35Å; F180-V239 HydrophobicContact CE1-CG2 3.53Å; F180-V239 HydrophobicContact CE2-CB 4.39Å; F180-V239 HydrophobicContact CE2-CG2 3.84Å; F180-V239 HydrophobicContact CG-CG2 4.46Å; F180-V239 HydrophobicContact CZ-CB 4.36Å; F180-V239 HydrophobicContact CZ-CG2 3.4Å
181	V	97.1	Very high	96.3	Very high	16 Å²	16	30.9 Å²	30.9	10%	0.097	17%	0.173	C	C	.	.	S	Bend	trans	-106.8	-31.1	-179.3	179.2	0	0	0	0	111.9	E186 K189 F198 N199 L226 A232 I285	V181-E186 PolarHBondContact N-OE1 2.87Å; V181-K189 HydrophobicContact CB-CD 4.12Å; V181-K189 HydrophobicContact CG2-CD 4.38Å; V181-F198 HydrophobicContact CG2-CB 4.13Å; V181-N199 HydrophobicContact CG2-CB 4.2Å; V181-L226 HydrophobicContact CG1-CD1 4Å; V181-L226 HydrophobicContact CG2-CD1 4.13Å; V181-L226 HydrophobicContact CG2-CD2 4.09Å; V181-A232 VanDerWaalsContact O-CB 3.22Å; V181-A232 WeakPolarHBondContact O-CB 3.26Å; V181-I285 HydrophobicContact CG1-CD1 4.35Å
182	E	96.5	Very high	95.2	Very high	117 Å²	117	38 Å²	38	55%	0.547	20%	0.198	S	C	.	.	S	Bend	trans	-127.2	-48.3	178.7	-63.5	161	-167.7	0	0	111.7	E186 K189	E182-E186 WeakPolarHBondContact CA-OE2 3.22Å; E182-E186 VanDerWaalsContact CB-OE2 3.26Å; E182-E186 WeakPolarHBondContact CB-OE2 3.45Å; E182-E186 PolarHBondContact N-OE2 3Å; E182-K189 IonicContact OE1-NZ 2.75Å; E182-K189 PolarHBondContact OE1-NZ 3.08Å; E182-K189 IonicContact OE2-NZ 3.97Å; E182-K189 PolarHBondContact OE2-NZ 3.04Å
183	S	97	Very high	93.6	Very high	43 Å²	43	46 Å²	46	30%	0.301	24%	0.241	S	C	.	.			trans	-148.8	154	-177.7	64.1	0	0	0	0	113.6	F180 K185 E186 D234	F180-S183 WeakPolarHBondContact CB-O 3.46Å; S183-K185 PolarHBondContact O-N 2.86Å; S183-K185 VanDerWaalsContact O-N 3.12Å; S183-E186 PolarHBondContact N-OE2 2.83Å; S183-E186 VanDerWaalsContact N-OE2 3.17Å; S183-E186 WeakPolarHBondContact O-CB 3.49Å; S183-E186 WeakPolarHBondContact O-CG 3.42Å; S183-E186 PolarHBondContact O-N 3.16Å; S183-E186 VanDerWaalsContact O-N 3.1Å; S183-E186 PolarHBondContact OG-N 3.13Å; S183-D234 WeakPolarHBondContact CA-OD2 3.47Å; S183-D234 VanDerWaalsContact CB-OD2 3.27Å; S183-D234 WeakPolarHBondContact CB-OD2 3.32Å
184	L	94.9	Very high	91.9	Very high	22 Å²	22	50.3 Å²	50.3	12%	0.115	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-41.4	-176.9	-93.9	75.9	0	0	0	112.6	F180 R206 L207 L210 D234 A235 F237	F180-L184 HydrophobicContact CD1-CD1 4.15Å; F180-L184 HydrophobicContact CD1-CG 4.25Å; F180-L184 HydrophobicContact CE1-CD1 3.52Å; F180-L184 HydrophobicContact CE1-CG 3.99Å; F180-L184 HydrophobicContact CE2-CD1 4.31Å; F180-L184 HydrophobicContact CZ-CD1 3.61Å; L184-R206 WeakPolarHBondContact O-CD 3.16Å; L184-R206 PolarHBondContact O-NH1 3.31Å; L184-L207 HydrophobicContact CB-CD2 4.29Å; L184-L207 HydrophobicContact CD2-CD2 4.32Å; L184-L210 HydrophobicContact CD2-CD1 4.09Å; L184-L210 HydrophobicContact CG-CD1 3.78Å; L184-D234 VanDerWaalsContact CD1-C 3.46Å; L184-D234 HydrophobicContact CD1-CB 3.42Å; L184-D234 VanDerWaalsContact CD1-CB 3.42Å; L184-D234 VanDerWaalsContact CD1-CG 3.48Å; L184-D234 WeakPolarHBondContact CD1-O 3.29Å; L184-D234 WeakPolarHBondContact CD1-OD2 3.47Å; L184-D234 PolarHBondContact N-OD2 2.63Å; L184-A235 HydrophobicContact CD1-CB 4.23Å; L184-A235 HydrophobicContact CD2-CB 4.11Å; L184-F237 HydrophobicContact CD1-CD2 4.49Å; L184-F237 HydrophobicContact CD2-CD2 4.46Å
185	K	96.3	Very high	90.7	Very high	162 Å²	162	55.1 Å²	55.1	70%	0.704	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	9.6	-173.8	-64.2	-178.2	-179.3	175.9	0	113.7	S183 L207	S183-K185 PolarHBondContact O-N 2.86Å; S183-K185 VanDerWaalsContact O-N 3.12Å; K185-L207 HydrophobicContact CG-CD2 4.36Å
186	E	96.6	Very high	89.9	Confident	14 Å²	14	55.4 Å²	55.4	7%	0.065	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-57.3	146.4	176.3	71.6	-173.9	-167.8	0	0	110.8	F180 V181 E182 S183 K189 N199 R206	F180-E186 VanDerWaalsContact CA-OE1 3.3Å; F180-E186 WeakPolarHBondContact CA-OE1 3.3Å; F180-E186 HydrophobicContact CB-CG 4.32Å; V181-E186 PolarHBondContact N-OE1 2.87Å; E182-E186 WeakPolarHBondContact CA-OE2 3.22Å; E182-E186 VanDerWaalsContact CB-OE2 3.26Å; E182-E186 WeakPolarHBondContact CB-OE2 3.45Å; E182-E186 PolarHBondContact N-OE2 3Å; S183-E186 PolarHBondContact N-OE2 2.83Å; S183-E186 VanDerWaalsContact N-OE2 3.17Å; S183-E186 WeakPolarHBondContact O-CB 3.49Å; S183-E186 WeakPolarHBondContact O-CG 3.42Å; S183-E186 PolarHBondContact O-N 3.16Å; S183-E186 VanDerWaalsContact O-N 3.1Å; S183-E186 PolarHBondContact OG-N 3.13Å; E186-K189 VanDerWaalsContact OE2-CE 3.25Å; E186-K189 WeakPolarHBondContact OE2-CE 3.47Å; E186-N199 WeakPolarHBondContact CG-ND2 3.49Å; E186-N199 PolarHBondContact OE1-ND2 3.25Å; E186-R206 PolarHBondContact O-NH1 3.13Å
187	A	95.6	Very high	89.7	Confident	70 Å²	70	55.9 Å²	55.9	58%	0.579	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-60.6	158.8	170.7	0	0	0	0	0	110.6	K189 N199	A187-K189 PolarHBondContact O-N 2.99Å; A187-N199 PolarHBondContact O-ND2 3.44Å
188	P	93.5	Very high	89.5	Confident	52 Å²	52	56.1 Å²	56.1	34%	0.338	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-53.8	139	169.9	-25.2	38.1	0	0	0	109.9	P190 T197 N199 P201	P188-P190 WeakPolarHBondContact O-CD 3.46Å; P188-T197 HydrophobicContact CB-CG2 3.88Å; P188-N199 WeakPolarHBondContact CA-OD1 3.48Å; P188-P201 HydrophobicContact CB-CB 4.22Å; P188-P201 HydrophobicContact CG-CB 4.26Å; P188-P201 WeakPolarHBondContact CG-O 3.45Å
189	K	93.8	Very high	89.5	Confident	33 Å²	33	56.1 Å²	56.1	14%	0.143	30%	0.295	C	S	.	.			trans	-107.3	93.8	178	-70.7	179.8	-176.8	-88.9	0	108	V181 E182 E186 A187 T197 F198 N199 I285	V181-K189 HydrophobicContact CB-CD 4.12Å; V181-K189 HydrophobicContact CG2-CD 4.38Å; E182-K189 IonicContact OE1-NZ 2.75Å; E182-K189 PolarHBondContact OE1-NZ 3.08Å; E182-K189 IonicContact OE2-NZ 3.97Å; E182-K189 PolarHBondContact OE2-NZ 3.04Å; E186-K189 VanDerWaalsContact OE2-CE 3.25Å; E186-K189 WeakPolarHBondContact OE2-CE 3.47Å; A187-K189 PolarHBondContact O-N 2.99Å; K189-T197 CarbonylContact O-C 3.36Å; K189-T197 VanDerWaalsContact O-CA 3.22Å; K189-T197 WeakPolarHBondContact O-CA 3.32Å; K189-F198 HydrophobicContact CB-CB 4.21Å; K189-F198 HydrophobicContact CB-CD2 4.28Å; K189-F198 WeakPolarHBondContact O-CD2 3.31Å; K189-F198 PolarHBondContact O-N 3.44Å; K189-N199 PolarHBondContact N-OD1 2.83Å; K189-I285 HydrophobicContact CD-CG2 4.35Å
190	P	90.6	Very high	89.4	Confident	82 Å²	82	56.1 Å²	56.1	53%	0.532	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-61.1	145.2	-175.6	-21.7	34.3	0	0	0	112.4	P188 M196	P188-P190 WeakPolarHBondContact O-CD 3.46Å; P190-M196 CarbonylContact C-O 3.58Å; P190-M196 WeakPolarHBondContact CA-O 3.35Å
191	I	86.4	Confident	89.3	Confident	21 Å²	21	57.6 Å²	57.6	11%	0.108	30%	0.304	C	S	.	.	S	Bend	trans	-93.4	110	169.5	-55.7	-177.3	0	0	0	107	N193 N194 M196 F198 H225	I191-N193 PolarHBondContact O-N 2.99Å; I191-N194 PolarHBondContact O-N 3.13Å; I191-M196 HydrophobicContact CB-CB 4.22Å; I191-M196 HydrophobicContact CD1-CB 4.27Å; I191-M196 HydrophobicContact CG1-CB 4.45Å; I191-M196 PolarHBondContact N-O 3.08Å; I191-F198 HydrophobicContact CB-CE2 4.39Å; I191-F198 HydrophobicContact CB-CZ 4.4Å; I191-F198 HydrophobicContact CD1-CD1 3.74Å; I191-F198 HydrophobicContact CD1-CE1 3.86Å; I191-F198 HydrophobicContact CD1-CG 4.14Å; I191-F198 HydrophobicContact CD1-CZ 4.34Å; I191-F198 HydrophobicContact CG1-CD1 3.78Å; I191-F198 HydrophobicContact CG1-CD2 3.75Å; I191-F198 HydrophobicContact CG1-CE1 3.8Å; I191-F198 HydrophobicContact CG1-CE2 3.75Å; I191-F198 HydrophobicContact CG1-CG 3.77Å; I191-F198 HydrophobicContact CG1-CZ 3.79Å; I191-F198 HydrophobicContact CG2-CZ 4.24Å; I191-H225 VanDerWaalsContact CD1-NE2 3.35Å; I191-H225 WeakPolarHBondContact CD1-NE2 3.48Å
192	R	74	Confident	89.1	Confident	163 Å²	163	59.7 Å²	59.7	62%	0.615	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	-137.1	-176.8	-55.8	175.5	177.2	-149.4	0.9	110	T281 P283	R192-T281 PolarHBondContact NH2-O 2.81Å; R192-P283 HydrophobicContact CG-CG 3.84Å
193	N	64.4	Low	89.1	Confident	169 Å²	169	56.3 Å²	56.3	90%	0.904	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	18.3	177.1	-64.5	-20.2	0	0	0	112.4	I191	I191-N193 PolarHBondContact O-N 2.99Å
194	N	64.3	Low	89.1	Confident	91 Å²	91	60.2 Å²	60.2	49%	0.487	32%	0.32	S	S	.	.	S	Bend	trans	-93.5	165.2	-174.2	-70.8	13.3	0	0	0	111.4	I191 M196	I191-N194 PolarHBondContact O-N 3.13Å; N194-M196 HydrophobicContact CB-CB 4.41Å; N194-M196 PolarHBondContact O-N 3.15Å
195	D	72.8	Confident	89.2	Confident	102 Å²	102	60.8 Å²	60.8	55%	0.545	32%	0.323	S	S	.	.	S	Bend	trans	-67.4	1.3	171.6	-57.2	-60.6	0	0	0	113.7	R104	R104-D195 IonicContact CZ-OD2 3.09Å; R104-D195 IonicContact NE-OD2 2.84Å; R104-D195 PolarHBondContact NE-OD2 3.02Å; R104-D195 VanDerWaalsContact NH2-CG 3.27Å; R104-D195 IonicContact NH2-OD1 3.4Å; R104-D195 PolarHBondContact NH2-OD1 2.84Å; R104-D195 IonicContact NH2-OD2 2.63Å; R104-D195 PolarHBondContact NH2-OD2 3.1Å
196	M	83.2	Confident	89.2	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.025	29%	0.289	C	S	.	.			trans	-87.4	145.2	179.9	-70.8	-55.5	-61	0	0	111.2	N98 D103 F140 P190 I191 N194	N98-M196 HydrophobicContact CB-CE 3.39Å; N98-M196 HydrophobicContact CB-SD 4.26Å; N98-M196 VanDerWaalsContact CG-CE 3.45Å; D103-M196 HydrophobicContact CB-CG 3.79Å; D103-M196 HydrophobicContact CB-SD 3.75Å; D103-M196 WeakPolarHBondContact OD1-CG 3.48Å; F140-M196 HydrophobicContact CE1-CE 4.13Å; F140-M196 HydrophobicContact CE1-SD 4.29Å; F140-M196 HydrophobicContact CZ-CE 4.27Å; P190-M196 CarbonylContact C-O 3.58Å; P190-M196 WeakPolarHBondContact CA-O 3.35Å; I191-M196 HydrophobicContact CB-CB 4.22Å; I191-M196 HydrophobicContact CD1-CB 4.27Å; I191-M196 HydrophobicContact CG1-CB 4.45Å; I191-M196 PolarHBondContact N-O 3.08Å; N194-M196 HydrophobicContact CB-CB 4.41Å; N194-M196 PolarHBondContact O-N 3.15Å
197	T	93.3	Very high	89.3	Confident	10 Å²	10	55.2 Å²	55.2	6%	0.061	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-135.2	145.3	-178	50.8	0	0	0	0	110.2	P188 K189 N199 P201 H225	P188-T197 HydrophobicContact CB-CG2 3.88Å; K189-T197 CarbonylContact O-C 3.36Å; K189-T197 VanDerWaalsContact O-CA 3.22Å; K189-T197 WeakPolarHBondContact O-CA 3.32Å; T197-N199 VanDerWaalsContact CB-O 3.3Å; T197-N199 WeakPolarHBondContact CB-O 3.27Å; T197-N199 PolarHBondContact O-N 3.39Å; T197-N199 PolarHBondContact OG1-O 3.04Å; T197-P201 HydrophobicContact CG2-CB 4.16Å; T197-H225 PolarHBondContact O-NE2 2.73Å; T197-H225 VanDerWaalsContact O-NE2 3.14Å
198	F	95.1	Very high	89.4	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.026	30%	0.297	C	S	.	.	S	Bend	trans	-67.1	-13.9	177.2	-71.7	-66.9	0	0	0	113.6	P178 V181 K189 I191 L226 I285	P178-F198 WeakPolarHBondContact CD-O 3.38Å; V181-F198 HydrophobicContact CG2-CB 4.13Å; K189-F198 HydrophobicContact CB-CB 4.21Å; K189-F198 HydrophobicContact CB-CD2 4.28Å; K189-F198 WeakPolarHBondContact O-CD2 3.31Å; K189-F198 PolarHBondContact O-N 3.44Å; I191-F198 HydrophobicContact CB-CE2 4.39Å; I191-F198 HydrophobicContact CB-CZ 4.4Å; I191-F198 HydrophobicContact CD1-CD1 3.74Å; I191-F198 HydrophobicContact CD1-CE1 3.86Å; I191-F198 HydrophobicContact CD1-CG 4.14Å; I191-F198 HydrophobicContact CD1-CZ 4.34Å; I191-F198 HydrophobicContact CG1-CD1 3.78Å; I191-F198 HydrophobicContact CG1-CD2 3.75Å; I191-F198 HydrophobicContact CG1-CE1 3.8Å; I191-F198 HydrophobicContact CG1-CE2 3.75Å; I191-F198 HydrophobicContact CG1-CG 3.77Å; I191-F198 HydrophobicContact CG1-CZ 3.79Å; I191-F198 HydrophobicContact CG2-CZ 4.24Å; F198-L226 HydrophobicContact CB-CD2 3.69Å; F198-L226 HydrophobicContact CD1-CD2 3.55Å; F198-L226 HydrophobicContact CG-CD2 4Å; F198-I285 HydrophobicContact CB-CD1 4.11Å; F198-I285 HydrophobicContact CD1-CD1 3.91Å; F198-I285 HydrophobicContact CD1-CG1 4.45Å; F198-I285 HydrophobicContact CD2-CD1 3.7Å; F198-I285 HydrophobicContact CD2-CG1 3.96Å; F198-I285 HydrophobicContact CD2-CG2 4.38Å; F198-I285 HydrophobicContact CE1-CD1 4.18Å; F198-I285 HydrophobicContact CE1-CG1 4.25Å; F198-I285 HydrophobicContact CE2-CB 4.39Å; F198-I285 HydrophobicContact CE2-CD1 4Å; F198-I285 HydrophobicContact CE2-CG1 3.73Å; F198-I285 HydrophobicContact CG-CD1 3.64Å; F198-I285 HydrophobicContact CG-CG1 4.31Å; F198-I285 HydrophobicContact CZ-CD1 4.22Å; F198-I285 HydrophobicContact CZ-CG1 3.87Å
199	N	96.7	Very high	89.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-133.3	167.2	178.6	55.6	-10.2	0	0	0	110.5	P178 V181 E186 A187 P188 K189 T197 P201 R206	P178-N199 CarbonylContact O-C 3.58Å; P178-N199 VanDerWaalsContact O-CA 3.26Å; P178-N199 WeakPolarHBondContact O-CA 3.22Å; V181-N199 HydrophobicContact CG2-CB 4.2Å; E186-N199 WeakPolarHBondContact CG-ND2 3.49Å; E186-N199 PolarHBondContact OE1-ND2 3.25Å; A187-N199 PolarHBondContact O-ND2 3.44Å; P188-N199 WeakPolarHBondContact CA-OD1 3.48Å; K189-N199 PolarHBondContact N-OD1 2.83Å; T197-N199 VanDerWaalsContact CB-O 3.3Å; T197-N199 WeakPolarHBondContact CB-O 3.27Å; T197-N199 PolarHBondContact O-N 3.39Å; T197-N199 PolarHBondContact OG1-O 3.04Å; N199-P201 WeakPolarHBondContact O-CD 3.46Å; N199-R206 VanDerWaalsContact CG-NH2 3.33Å; N199-R206 PolarHBondContact ND2-NH2 2.82Å
200	L	97	Very high	89.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.			trans	-62.5	120.5	175.3	-66.9	-177.8	0	0	0	111.2	S136 F139 F140 V177 P178 P179 R206 L209	S136-L200 WeakPolarHBondContact O-CD2 3.46Å; F139-L200 HydrophobicContact CB-CD1 3.97Å; F139-L200 HydrophobicContact CB-CD2 3.97Å; F139-L200 HydrophobicContact CD2-CD1 4.4Å; F140-L200 HydrophobicContact CD2-CD2 3.93Å; F140-L200 HydrophobicContact CE2-CD2 3.71Å; V177-L200 HydrophobicContact CB-CD2 4.44Å; V177-L200 HydrophobicContact CG1-CD2 4.32Å; P178-L200 PolarHBondContact O-N 2.97Å; P178-L200 VanDerWaalsContact O-N 3.16Å; P179-L200 HydrophobicContact CB-CD1 4.27Å; P179-L200 PolarHBondContact O-N 2.78Å; L200-R206 HydrophobicContact CB-CB 4.34Å; L200-R206 HydrophobicContact CB-CG 4.46Å; L200-R206 PolarHBondContact O-NE 2.78Å; L200-R206 PolarHBondContact O-NH2 3.34Å; L200-L209 HydrophobicContact CD1-CD2 3.82Å
201	P	95.1	Very high	90.1	Very high	31 Å²	31	50.8 Å²	50.8	20%	0.201	27%	0.273	C	S	.	.	S	Bend	trans	-75.3	-31	-165.3	27.3	-35.4	0	0	0	114.8	F140 P188 T197 N199 V203	F140-P201 HydrophobicContact CB-CG 4.17Å; F140-P201 HydrophobicContact CD1-CG 3.65Å; F140-P201 HydrophobicContact CE1-CG 4.13Å; F140-P201 HydrophobicContact CG-CG 3.87Å; P188-P201 HydrophobicContact CB-CB 4.22Å; P188-P201 HydrophobicContact CG-CB 4.26Å; P188-P201 WeakPolarHBondContact CG-O 3.45Å; T197-P201 HydrophobicContact CG2-CB 4.16Å; N199-P201 WeakPolarHBondContact O-CD 3.46Å; P201-V203 PolarHBondContact O-N 3.22Å
202	D	94.5	Very high	90.5	Very high	61 Å²	61	52.3 Å²	52.3	33%	0.326	28%	0.279	S	S	.	.			trans	-86.7	110.3	177.4	-172.6	-52.2	0	0	0	110.1	N204 I205 R206	D202-N204 VanDerWaalsContact C-N 3.26Å; D202-N204 PolarHBondContact O-N 2.98Å; D202-N204 WeakPolarHBondContact OD1-CA 3.17Å; D202-N204 WeakPolarHBondContact OD1-CB 3.14Å; D202-N204 PolarHBondContact OD1-N 3.28Å; D202-I205 HydrophobicContact CB-CB 3.92Å; D202-I205 HydrophobicContact CB-CD1 3.76Å; D202-I205 HydrophobicContact CB-CG1 3.8Å; D202-I205 PolarHBondContact O-N 3.19Å; D202-I205 PolarHBondContact OD1-N 3.1Å; D202-R206 WeakPolarHBondContact O-CB 3.38Å; D202-R206 PolarHBondContact O-N 3.41Å
203	V	95.6	Very high	91.6	Very high	45 Å²	45	44.5 Å²	44.5	27%	0.273	25%	0.25	S	C	.	.	H	α-helix	trans	-60.6	-34.6	-179	177.1	0	0	0	0	111.8	P201 L207	P201-V203 PolarHBondContact O-N 3.22Å; V203-L207 HydrophobicContact CG1-CD1 3.94Å; V203-L207 HydrophobicContact CG1-CG 4.23Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 WeakPolarHBondContact O-CG 3.34Å; V203-L207 PolarHBondContact O-N 2.83Å
204	N	96.6	Very high	93.1	Very high	125 Å²	125	37.3 Å²	37.3	67%	0.668	22%	0.215	S	C	*	.	H	α-helix	trans	-72.9	-42.8	179.2	-63.9	-49.1	0	0	0	111.3	D202 R206 L207 N208	D202-N204 VanDerWaalsContact C-N 3.26Å; D202-N204 PolarHBondContact O-N 2.98Å; D202-N204 WeakPolarHBondContact OD1-CA 3.17Å; D202-N204 WeakPolarHBondContact OD1-CB 3.14Å; D202-N204 PolarHBondContact OD1-N 3.28Å; N204-R206 VanDerWaalsContact C-N 3.32Å; N204-R206 PolarHBondContact O-N 3.41Å; N204-L207 PolarHBondContact O-N 3.19Å; N204-N208 VanDerWaalsContact O-CB 3.26Å; N204-N208 WeakPolarHBondContact O-CB 3.5Å; N204-N208 PolarHBondContact O-N 3.45Å
205	I	97.3	Very high	94.6	Very high	35 Å²	35	36.1 Å²	36.1	18%	0.179	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-45.5	173.9	-63.5	-178.7	0	0	0	109.7	F139 W153 D202 N208 L209	F139-I205 HydrophobicContact CB-CG2 3.86Å; F139-I205 HydrophobicContact CD1-CG2 4.18Å; F139-I205 HydrophobicContact CG-CG2 4.44Å; F139-I205 WeakPolarHBondContact O-CG2 3.43Å; W153-I205 HydrophobicContact CZ2-CG2 3.88Å; D202-I205 HydrophobicContact CB-CB 3.92Å; D202-I205 HydrophobicContact CB-CD1 3.76Å; D202-I205 HydrophobicContact CB-CG1 3.8Å; D202-I205 PolarHBondContact O-N 3.19Å; D202-I205 PolarHBondContact OD1-N 3.1Å; I205-N208 PolarHBondContact O-N 3.42Å; I205-L209 WeakPolarHBondContact O-CB 3.45Å; I205-L209 PolarHBondContact O-N 2.92Å
206	R	97.7	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-50.8	176.9	-175.6	-160.7	-60.2	-179.8	-8.9	112.2	P179 L184 E186 N199 L200 D202 N204 N208 L209 L210	P179-R206 HydrophobicContact CB-CG 4.2Å; P179-R206 WeakPolarHBondContact O-CD 3.39Å; P179-R206 VanDerWaalsContact O-CZ 3.27Å; P179-R206 PolarHBondContact O-NE 3.1Å; L184-R206 WeakPolarHBondContact O-CD 3.16Å; L184-R206 PolarHBondContact O-NH1 3.31Å; E186-R206 PolarHBondContact O-NH1 3.13Å; N199-R206 VanDerWaalsContact CG-NH2 3.33Å; N199-R206 PolarHBondContact ND2-NH2 2.82Å; L200-R206 HydrophobicContact CB-CB 4.34Å; L200-R206 HydrophobicContact CB-CG 4.46Å; L200-R206 PolarHBondContact O-NE 2.78Å; L200-R206 PolarHBondContact O-NH2 3.34Å; D202-R206 WeakPolarHBondContact O-CB 3.38Å; D202-R206 PolarHBondContact O-N 3.41Å; N204-R206 VanDerWaalsContact C-N 3.32Å; N204-R206 PolarHBondContact O-N 3.41Å; R206-N208 VanDerWaalsContact C-N 3.33Å; R206-N208 PolarHBondContact O-N 2.96Å; R206-L209 PolarHBondContact O-N 3.37Å; R206-L210 HydrophobicContact CG-CD1 4.2Å; R206-L210 WeakPolarHBondContact O-CG 3.45Å; R206-L210 PolarHBondContact O-N 2.83Å
207	L	97.6	Very high	96.1	Very high	59 Å²	59	33.5 Å²	33.5	31%	0.309	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-37.1	179.9	-70.6	176.7	0	0	0	111.9	L184 K185 V203 N204 G211	L184-L207 HydrophobicContact CB-CD2 4.29Å; L184-L207 HydrophobicContact CD2-CD2 4.32Å; K185-L207 HydrophobicContact CG-CD2 4.36Å; V203-L207 HydrophobicContact CG1-CD1 3.94Å; V203-L207 HydrophobicContact CG1-CG 4.23Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 WeakPolarHBondContact O-CG 3.34Å; V203-L207 PolarHBondContact O-N 2.83Å; N204-L207 PolarHBondContact O-N 3.19Å; L207-G211 PolarHBondContact O-N 3.35Å
208	N	97.4	Very high	96.2	Very high	92 Å²	92	33 Å²	33	49%	0.492	21%	0.211	S	C	.	.	H	α-helix	trans	-64.9	-42.9	174.5	-174	27.1	0	0	0	111.6	W153 N204 I205 R206 G211 K212	W153-N208 HydrophobicContact CH2-CB 4.46Å; N204-N208 VanDerWaalsContact O-CB 3.26Å; N204-N208 WeakPolarHBondContact O-CB 3.5Å; N204-N208 PolarHBondContact O-N 3.45Å; I205-N208 PolarHBondContact O-N 3.42Å; R206-N208 VanDerWaalsContact C-N 3.33Å; R206-N208 PolarHBondContact O-N 2.96Å; N208-G211 PolarHBondContact O-N 3.32Å; N208-K212 WeakPolarHBondContact O-CB 3.19Å; N208-K212 PolarHBondContact O-N 2.78Å
209	L	98.1	Very high	96.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-54.4	176.2	176.8	60.5	0	0	0	110.5	L134 F139 W153 L156 L200 I205 R206 G211 K212 L213	L134-L209 HydrophobicContact CD1-CD1 4.13Å; F139-L209 HydrophobicContact CD2-CD2 3.71Å; F139-L209 HydrophobicContact CE1-CD1 4.24Å; F139-L209 HydrophobicContact CE2-CD1 4.06Å; F139-L209 HydrophobicContact CE2-CD2 3.71Å; F139-L209 HydrophobicContact CG-CD2 4.19Å; F139-L209 HydrophobicContact CZ-CD1 3.76Å; F139-L209 HydrophobicContact CZ-CD2 4.18Å; W153-L209 HydrophobicContact CH2-CB 3.71Å; W153-L209 HydrophobicContact CH2-CD1 4.1Å; W153-L209 HydrophobicContact CZ2-CB 4.45Å; W153-L209 HydrophobicContact CZ3-CD1 4.27Å; L156-L209 HydrophobicContact CD2-CD1 3.64Å; L200-L209 HydrophobicContact CD1-CD2 3.82Å; I205-L209 WeakPolarHBondContact O-CB 3.45Å; I205-L209 PolarHBondContact O-N 2.92Å; R206-L209 PolarHBondContact O-N 3.37Å; L209-G211 VanDerWaalsContact C-N 3.33Å; L209-G211 PolarHBondContact O-N 2.89Å; L209-K212 PolarHBondContact O-N 3.43Å; L209-L213 HydrophobicContact CD1-CD1 3.87Å; L209-L213 HydrophobicContact CD1-CG 4.06Å; L209-L213 HydrophobicContact CG-CD1 3.89Å; L209-L213 HydrophobicContact CG-CG 4.43Å; L209-L213 VanDerWaalsContact O-CG 3.31Å; L209-L213 WeakPolarHBondContact O-CG 3.42Å; L209-L213 PolarHBondContact O-N 3.4Å
210	L	97.8	Very high	96.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-38.4	-179.7	-67.5	177.8	0	0	0	111.8	P179 F180 L184 R206 K212 L213 G214 I221 F237	P179-L210 HydrophobicContact CB-CD1 4.29Å; P179-L210 HydrophobicContact CB-CD2 4.08Å; P179-L210 HydrophobicContact CB-CG 4.37Å; P179-L210 HydrophobicContact CG-CD2 4.11Å; F180-L210 HydrophobicContact CD1-CD1 3.92Å; F180-L210 HydrophobicContact CE1-CD1 3.86Å; L184-L210 HydrophobicContact CD2-CD1 4.09Å; L184-L210 HydrophobicContact CG-CD1 3.78Å; R206-L210 HydrophobicContact CG-CD1 4.2Å; R206-L210 WeakPolarHBondContact O-CG 3.45Å; R206-L210 PolarHBondContact O-N 2.83Å; L210-K212 VanDerWaalsContact C-N 3.33Å; L210-K212 PolarHBondContact O-N 2.93Å; L210-L213 PolarHBondContact O-N 3.12Å; L210-G214 PolarHBondContact O-N 2.84Å; L210-I221 HydrophobicContact CD2-CD1 3.57Å; L210-F237 HydrophobicContact CB-CD2 4.47Å; L210-F237 HydrophobicContact CB-CE2 3.84Å; L210-F237 HydrophobicContact CB-CZ 4.03Å; L210-F237 HydrophobicContact CD2-CD1 4.21Å; L210-F237 HydrophobicContact CD2-CD2 4.33Å; L210-F237 HydrophobicContact CD2-CE1 4.17Å; L210-F237 HydrophobicContact CD2-CE2 4.28Å; L210-F237 HydrophobicContact CD2-CG 4.3Å; L210-F237 HydrophobicContact CD2-CZ 4.21Å; L210-F237 HydrophobicContact CG-CE2 4.5Å; L210-F237 WeakPolarHBondContact O-CZ 3.21Å
211	G	96.6	Very high	96.3	Very high	49 Å²	49	39.2 Å²	39.2	51%	0.505	24%	0.236	S	C	.	.	H	α-helix	trans	-58.3	-44.4	173.8	0	0	0	0	0	112.6	L207 N208 L209 A215	L207-G211 PolarHBondContact O-N 3.35Å; N208-G211 PolarHBondContact O-N 3.32Å; L209-G211 VanDerWaalsContact C-N 3.33Å; L209-G211 PolarHBondContact O-N 2.89Å; G211-A215 WeakPolarHBondContact O-CB 3.38Å; G211-A215 PolarHBondContact O-N 3.4Å; G211-A215 VanDerWaalsContact O-N 3.14Å
212	K	96.1	Very high	96.5	Very high	52 Å²	52	37.8 Å²	37.8	23%	0.226	23%	0.226	C	C	.	.	H	α-helix	trans	-67.5	-44	178.5	-166.1	-179.1	-66.2	-78.1	0	112.3	W153 L156 T157 N208 L209 L210 A215	W153-K212 HydrophobicContact CE3-CD 4.43Å; W153-K212 HydrophobicContact CZ3-CD 4.15Å; L156-K212 HydrophobicContact CD2-CD 4.24Å; L156-K212 HydrophobicContact CG-CD 4.11Å; T157-K212 WeakPolarHBondContact OG1-CE 3.16Å; T157-K212 PolarHBondContact OG1-NZ 2.63Å; N208-K212 WeakPolarHBondContact O-CB 3.19Å; N208-K212 PolarHBondContact O-N 2.78Å; L209-K212 PolarHBondContact O-N 3.43Å; L210-K212 VanDerWaalsContact C-N 3.33Å; L210-K212 PolarHBondContact O-N 2.93Å; K212-A215 PolarHBondContact O-N 2.81Å
213	L	96.8	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-43.2	177.3	-65.9	177.2	0	0	0	111.6	L134 L156 V173 L209 L210 A215 V216 V218 I221	L134-L213 HydrophobicContact CD1-CD1 4.44Å; L156-L213 HydrophobicContact CD1-CD2 4.19Å; L156-L213 HydrophobicContact CD2-CD2 4.48Å; V173-L213 HydrophobicContact CG1-CD1 4.38Å; V173-L213 HydrophobicContact CG2-CD1 3.97Å; V173-L213 HydrophobicContact CG2-CD2 3.75Å; V173-L213 HydrophobicContact CG2-CG 4.38Å; L209-L213 HydrophobicContact CD1-CD1 3.87Å; L209-L213 HydrophobicContact CD1-CG 4.06Å; L209-L213 HydrophobicContact CG-CD1 3.89Å; L209-L213 HydrophobicContact CG-CG 4.43Å; L209-L213 VanDerWaalsContact O-CG 3.31Å; L209-L213 WeakPolarHBondContact O-CG 3.42Å; L209-L213 PolarHBondContact O-N 3.4Å; L210-L213 PolarHBondContact O-N 3.12Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 3.35Å; L213-V216 WeakPolarHBondContact O-CG2 3.24Å; L213-V216 PolarHBondContact O-N 2.92Å; L213-V218 HydrophobicContact CB-CB 3.91Å; L213-V218 HydrophobicContact CB-CG1 4.25Å; L213-V218 HydrophobicContact CB-CG2 4.05Å; L213-V218 HydrophobicContact CD2-CG2 4.31Å; L213-V218 VanDerWaalsContact O-CB 3.3Å; L213-V218 WeakPolarHBondContact O-CB 3.38Å; L213-V218 WeakPolarHBondContact O-CG2 3.44Å; L213-V218 PolarHBondContact O-N 2.73Å; L213-V218 VanDerWaalsContact O-N 3.12Å; L213-I221 HydrophobicContact CD1-CD1 4.33Å
214	G	96.1	Very high	96.8	Very high	17 Å²	17	32.7 Å²	32.7	18%	0.175	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-35.6	179.1	0	0	0	0	0	112.9	L210 V216 G217 R219	L210-G214 PolarHBondContact O-N 2.84Å; G214-V216 VanDerWaalsContact C-N 3.26Å; G214-V216 PolarHBondContact O-N 3.22Å; G214-G217 PolarHBondContact O-N 3.45Å; G214-G217 VanDerWaalsContact O-N 3.09Å; G214-R219 PolarHBondContact O-NH1 3.39Å
215	A	94.5	Very high	96.9	Very high	66 Å²	66	27 Å²	27	55%	0.545	17%	0.167	S	C	.	.	H	α-helix	trans	-63.3	-28.2	177.2	0	0	0	0	0	113.5	F164 G211 K212 L213	F164-A215 VanDerWaalsContact CE1-O 3.27Å; F164-A215 WeakPolarHBondContact CE1-O 3.29Å; F164-A215 HydrophobicContact CZ-CB 4.49Å; F164-A215 VanDerWaalsContact CZ-O 3.31Å; F164-A215 WeakPolarHBondContact CZ-O 3.36Å; G211-A215 WeakPolarHBondContact O-CB 3.38Å; G211-A215 PolarHBondContact O-N 3.4Å; G211-A215 VanDerWaalsContact O-N 3.14Å; K212-A215 PolarHBondContact O-N 2.81Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 3.35Å
216	V	94.4	Very high	96.8	Very high	11 Å²	11	25.7 Å²	25.7	7%	0.067	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	18.1	174.8	-64.4	0	0	0	0	113.3	C160 V163 F164 V171 L213 G214 V218	C160-V216 HydrophobicContact CB-CG1 3.61Å; C160-V216 WeakPolarHBondContact O-CG1 3.41Å; V163-V216 HydrophobicContact CB-CG1 4.47Å; V163-V216 HydrophobicContact CG1-CB 4.07Å; V163-V216 HydrophobicContact CG1-CG1 4.45Å; F164-V216 HydrophobicContact CD2-CG1 4.19Å; F164-V216 HydrophobicContact CE1-CG1 4.15Å; F164-V216 HydrophobicContact CE2-CG1 3.56Å; F164-V216 HydrophobicContact CZ-CG1 3.54Å; V171-V216 HydrophobicContact CG1-CG2 4.4Å; V171-V216 WeakPolarHBondContact CG2-O 3.32Å; L213-V216 WeakPolarHBondContact O-CG2 3.24Å; L213-V216 PolarHBondContact O-N 2.92Å; G214-V216 VanDerWaalsContact C-N 3.26Å; G214-V216 PolarHBondContact O-N 3.22Å; V216-V218 HydrophobicContact CG2-CG2 4.12Å; V216-V218 PolarHBondContact O-N 3.44Å
217	G	93.9	Very high	96.7	Very high	41 Å²	41	27 Å²	27	42%	0.423	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	10.2	174.1	0	0	0	0	0	115.1	G214 R219	G214-G217 PolarHBondContact O-N 3.45Å; G214-G217 VanDerWaalsContact O-N 3.09Å; G217-R219 PolarHBondContact O-N 2.86Å
218	V	96.5	Very high	96.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.			trans	-63.6	127.9	172.1	176.2	0	0	0	0	109	V171 V173 L213 V216 I221 F237	V171-V218 HydrophobicContact CB-CG2 3.89Å; V171-V218 HydrophobicContact CG1-CG2 3.55Å; V173-V218 HydrophobicContact CB-CG1 4.32Å; V173-V218 HydrophobicContact CG2-CB 4.43Å; V173-V218 HydrophobicContact CG2-CG1 3.73Å; V173-V218 HydrophobicContact CG2-CG2 3.81Å; L213-V218 HydrophobicContact CB-CB 3.91Å; L213-V218 HydrophobicContact CB-CG1 4.25Å; L213-V218 HydrophobicContact CB-CG2 4.05Å; L213-V218 HydrophobicContact CD2-CG2 4.31Å; L213-V218 VanDerWaalsContact O-CB 3.3Å; L213-V218 WeakPolarHBondContact O-CB 3.38Å; L213-V218 WeakPolarHBondContact O-CG2 3.44Å; L213-V218 PolarHBondContact O-N 2.73Å; L213-V218 VanDerWaalsContact O-N 3.12Å; V216-V218 HydrophobicContact CG2-CG2 4.12Å; V216-V218 PolarHBondContact O-N 3.44Å; V218-I221 HydrophobicContact CG1-CG1 4.06Å; V218-F237 HydrophobicContact CG1-CE1 4.31Å; V218-F237 VanDerWaalsContact O-CE1 3.31Å; V218-F237 WeakPolarHBondContact O-CE1 3.49Å
219	R	95.1	Very high	96.6	Very high	102 Å²	102	26.7 Å²	26.7	39%	0.385	16%	0.158	S	C	.	.			trans	-128.9	-21.1	176.5	-61	-65.3	178.5	-89.5	7.9	113	G214 G217 D236 Q238	G214-R219 PolarHBondContact O-NH1 3.39Å; G217-R219 PolarHBondContact O-N 2.86Å; R219-D236 WeakPolarHBondContact CD-O 3.43Å; R219-D236 IonicContact NH2-OD2 3.98Å; R219-Q238 PolarHBondContact O-N 3.08Å
220	Q	96.6	Very high	96.6	Very high	34 Å²	34	27.8 Å²	27.8	16%	0.159	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.4	178.4	-65.3	-178.9	13.6	0	0	110.3	V173 F222 Q238 I263	V173-Q220 PolarHBondContact N-O 3.1Å; Q220-F222 HydrophobicContact CB-CE2 4.14Å; Q220-F222 HydrophobicContact CB-CZ 4.45Å; Q220-Q238 WeakPolarHBondContact CA-O 3.44Å; Q220-I263 PolarHBondContact NE2-O 2.78Å
221	I	98.7	Very high	96.6	Very high	1 Å²	1	32 Å²	32	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.2	177.2	-54.2	179.9	0	0	0	107.8	V173 Q175 P179 L210 L213 V218 F237 Q238 V239 V240	V173-I221 HydrophobicContact CB-CG1 4.22Å; V173-I221 HydrophobicContact CB-CG2 4.26Å; V173-I221 HydrophobicContact CG1-CG2 4.06Å; V173-I221 WeakPolarHBondContact O-CA 3.29Å; Q175-I221 HydrophobicContact CG-CG2 4.31Å; P179-I221 HydrophobicContact CG-CD1 4Å; L210-I221 HydrophobicContact CD2-CD1 3.57Å; L213-I221 HydrophobicContact CD1-CD1 4.33Å; V218-I221 HydrophobicContact CG1-CG1 4.06Å; I221-F237 HydrophobicContact CD1-CD1 4.04Å; I221-F237 HydrophobicContact CD1-CE1 4.47Å; I221-F237 HydrophobicContact CG1-CD1 4.5Å; I221-Q238 PolarHBondContact N-O 3.11Å; I221-V239 HydrophobicContact CB-CG2 4.45Å; I221-V239 WeakPolarHBondContact O-CA 3.39Å; I221-V240 PolarHBondContact O-N 3.45Å
222	F	98.9	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133	-179.7	-63.4	-84.6	0	0	0	112.1	F16 I18 V172 V173 L174 Q175 Q220 V240 V256 H265	F16-F222 HydrophobicContact CZ-CD2 4.36Å; F16-F222 HydrophobicContact CZ-CE2 4.08Å; I18-F222 HydrophobicContact CD1-CB 3.48Å; I18-F222 VanDerWaalsContact CD1-CB 3.48Å; I18-F222 HydrophobicContact CD1-CD1 3.48Å; I18-F222 VanDerWaalsContact CD1-CD1 3.48Å; I18-F222 HydrophobicContact CD1-CD2 4.21Å; I18-F222 HydrophobicContact CD1-CE1 4.26Å; I18-F222 HydrophobicContact CD1-CG 3.45Å; I18-F222 VanDerWaalsContact CD1-CG 3.45Å; V172-F222 HydrophobicContact CG1-CD2 3.64Å; V172-F222 HydrophobicContact CG1-CE2 3.64Å; V173-F222 PolarHBondContact O-N 3.4Å; L174-F222 WeakPolarHBondContact CA-O 3.36Å; L174-F222 HydrophobicContact CG-CB 4.35Å; Q175-F222 PolarHBondContact N-O 2.78Å; Q175-F222 VanDerWaalsContact N-O 3.1Å; Q220-F222 HydrophobicContact CB-CE2 4.14Å; Q220-F222 HydrophobicContact CB-CZ 4.45Å; F222-V240 CarbonylContact C-O 3.55Å; F222-V240 WeakPolarHBondContact CA-O 3.49Å; F222-V240 HydrophobicContact CD1-CB 3.71Å; F222-V240 HydrophobicContact CD1-CG1 3.93Å; F222-V240 HydrophobicContact CD1-CG2 4.33Å; F222-V240 HydrophobicContact CE1-CB 3.93Å; F222-V240 HydrophobicContact CE1-CG1 4.02Å; F222-V240 HydrophobicContact CE1-CG2 4.11Å; F222-V256 HydrophobicContact CD1-CG2 4.42Å; F222-V256 HydrophobicContact CE1-CG2 3.84Å; F222-V256 HydrophobicContact CE2-CG1 4.4Å; F222-V256 HydrophobicContact CZ-CG1 3.91Å; F222-V256 HydrophobicContact CZ-CG2 3.93Å; F222-H265 HydrophobicContact CE1-CB 4.15Å; F222-H265 AromaticContact CE1-CD2 3.6Å; F222-H265 AromaticContact CZ-CD2 3.94Å
223	C	98.9	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	170.7	-172.3	-59.9	0	0	0	0	114.4	Q175 H176 P178 V240 V241 T242	Q175-C223 WeakPolarHBondContact O-CA 3.4Å; Q175-C223 WeakPolarHBondContact O-CB 3.41Å; Q175-C223 PolarHBondContact O-SG 3.4Å; Q175-C223 VanDerWaalsContact O-SG 3.34Å; H176-C223 WeakPolarHBondContact O-CB 3.46Å; P178-C223 HydrophobicContact CB-CB 4.46Å; P178-C223 HydrophobicContact CG-CB 3.91Å; C223-V240 PolarHBondContact N-O 2.85Å; C223-V241 HydrophobicContact CB-CG2 4.29Å; C223-V241 WeakPolarHBondContact O-CA 3.36Å; C223-T242 PolarHBondContact O-N 3.1Å
224	G	98.5	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.			trans	-119.4	-134	170	0	0	0	0	0	110.9	D21 H176 L226 V241	D21-G224 VanDerWaalsContact OD2-CA 3.27Å; D21-G224 WeakPolarHBondContact OD2-CA 3.39Å; H176-G224 CarbonylContact O-C 3.56Å; H176-G224 PolarHBondContact O-N 3.14Å; G224-L226 PolarHBondContact O-N 3.25Å; G224-V241 WeakPolarHBondContact O-CG1 3.47Å
225	H	97.1	Very high	96.6	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.028	22%	0.224	C	C	.	.	S	Bend	trans	73.4	-34.7	166.3	-166.3	65	0	0	0	116.5	D21 N98 H176 I191 T197 H227	D21-H225 VanDerWaalsContact CG-N 3.35Å; D21-H225 VanDerWaalsContact OD1-CA 3.22Å; D21-H225 WeakPolarHBondContact OD1-CA 3.45Å; D21-H225 PolarHBondContact OD1-N 3.47Å; D21-H225 PolarHBondContact OD2-N 2.93Å; N98-H225 PolarHBondContact OD1-CE1 3.36Å; N98-H225 PolarHBondContact OD1-ND1 3.39Å; H176-H225 AromaticContact CD2-ND1 3.68Å; H176-H225 AromaticContact CE1-ND1 3.84Å; H176-H225 AromaticContact NE2-CG 3.61Å; H176-H225 AromaticContact NE2-ND1 3Å; H176-H225 PolarHBondContact NE2-ND1 3.46Å; I191-H225 VanDerWaalsContact CD1-NE2 3.35Å; I191-H225 WeakPolarHBondContact CD1-NE2 3.48Å; T197-H225 PolarHBondContact O-NE2 2.73Å; T197-H225 VanDerWaalsContact O-NE2 3.14Å; H225-H227 VanDerWaalsContact C-N 3.33Å; H225-H227 PolarHBondContact O-CD2 3.42Å; H225-H227 PolarHBondContact O-N 2.81Å
226	L	96	Very high	96.5	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	23%	0.226	C	C	.	.	S	Bend	trans	-82.7	-7.3	-177.4	-55	-169.1	0	0	0	114.7	P178 V181 F198 G224 R228 A230 V241 I285	P178-L226 HydrophobicContact CG-CD1 4.46Å; P178-L226 HydrophobicContact CG-CD2 4.26Å; P178-L226 HydrophobicContact CG-CG 4.14Å; V181-L226 HydrophobicContact CG1-CD1 4Å; V181-L226 HydrophobicContact CG2-CD1 4.13Å; V181-L226 HydrophobicContact CG2-CD2 4.09Å; F198-L226 HydrophobicContact CB-CD2 3.69Å; F198-L226 HydrophobicContact CD1-CD2 3.55Å; F198-L226 HydrophobicContact CG-CD2 4Å; G224-L226 PolarHBondContact O-N 3.25Å; L226-R228 HydrophobicContact CB-CG 4.26Å; L226-R228 PolarHBondContact O-N 2.79Å; L226-R228 VanDerWaalsContact O-N 3.09Å; L226-R228 PolarHBondContact O-NH1 3.42Å; L226-A230 HydrophobicContact CD1-CB 4.13Å; L226-V241 HydrophobicContact CB-CG1 3.87Å; L226-V241 HydrophobicContact CD1-CB 4.23Å; L226-V241 HydrophobicContact CD1-CG1 4.17Å; L226-V241 HydrophobicContact CD1-CG2 3.77Å; L226-V241 HydrophobicContact CG-CB 4.46Å; L226-V241 HydrophobicContact CG-CG1 3.88Å; L226-V241 HydrophobicContact CG-CG2 4.15Å; L226-I285 HydrophobicContact CD2-CD1 4.22Å
227	H	95.5	Very high	96.7	Very high	27 Å²	27	42.1 Å²	42.1	13%	0.125	23%	0.227	C	C	.	.	S	Bend	trans	51.8	32.8	-175.7	-73.9	-124.8	0	0	0	113.6	D21 Q23 H225 N243 S244 F282	D21-H227 IonicContact OD1-CD2 3.85Å; D21-H227 IonicContact OD1-NE2 2.78Å; D21-H227 PolarHBondContact OD1-NE2 2.9Å; Q23-H227 PolarHBondContact OE1-CE1 2.86Å; Q23-H227 PolarHBondContact OE1-NE2 2.9Å; H225-H227 VanDerWaalsContact C-N 3.33Å; H225-H227 PolarHBondContact O-CD2 3.42Å; H225-H227 PolarHBondContact O-N 2.81Å; H227-N243 PolarHBondContact O-OD1 2.76Å; H227-S244 WeakPolarHBondContact ND1-CB 3.27Å; H227-F282 HydrophobicContact CB-CD2 4.39Å; H227-F282 HydrophobicContact CB-CG 4.45Å; H227-F282 AromaticContact CD2-CZ 3.75Å; H227-F282 AromaticContact CE1-CE2 3.17Å; H227-F282 WeakPolarHBondContact CE1-CE2 3.25Å; H227-F282 AromaticContact CE1-CZ 3.39Å; H227-F282 WeakPolarHBondContact CE1-CZ 3.37Å; H227-F282 AromaticContact CG-CD2 3.95Å; H227-F282 AromaticContact CG-CE2 3.73Å; H227-F282 AromaticContact CG-CZ 3.88Å; H227-F282 AromaticContact ND1-CD2 3.54Å; H227-F282 AromaticContact ND1-CE2 3.14Å; H227-F282 WeakPolarHBondContact ND1-CE2 3.44Å; H227-F282 AromaticContact ND1-CZ 3.66Å; H227-F282 AromaticContact NE2-CE2 3.73Å; H227-F282 AromaticContact NE2-CZ 3.45Å; H227-F282 WeakPolarHBondContact NE2-CZ 3.22Å
228	R	95.6	Very high	96.9	Very high	93 Å²	93	42.2 Å²	42.2	35%	0.351	22%	0.216	S	C	.	.	S	Bend	trans	-161.2	158.6	171.5	67	-174.9	-176.5	-79.3	2.5	110.5	L226 A230 V241 N243 I285	L226-R228 HydrophobicContact CB-CG 4.26Å; L226-R228 PolarHBondContact O-N 2.79Å; L226-R228 VanDerWaalsContact O-N 3.09Å; L226-R228 PolarHBondContact O-NH1 3.42Å; R228-A230 PolarHBondContact O-N 3.34Å; R228-V241 WeakPolarHBondContact O-CG1 3.23Å; R228-N243 WeakPolarHBondContact CA-OD1 3.32Å; R228-N243 PolarHBondContact N-OD1 2.97Å; R228-I285 VanDerWaalsContact NH2-CG1 3.33Å
229	N	97.6	Very high	97	Very high	52 Å²	52	42.2 Å²	42.2	28%	0.278	22%	0.216	S	C	.	.			trans	-70.1	129.6	168.2	-68.2	-52.1	0	0	0	109.7	V241 N243 R254 Y267	N229-V241 WeakPolarHBondContact CA-O 3.23Å; N229-N243 PolarHBondContact OD1-N 3.44Å; N229-R254 PolarHBondContact OD1-NH2 2.61Å; N229-Y267 WeakPolarHBondContact ND2-CD1 3.47Å; N229-Y267 WeakPolarHBondContact ND2-CD2 3.36Å; N229-Y267 WeakPolarHBondContact ND2-CE1 3.34Å; N229-Y267 WeakPolarHBondContact OD1-CD2 3.44Å
230	A	97.6	Very high	97.1	Very high	24 Å²	24	37.4 Å²	37.4	20%	0.198	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.9	173.4	0	0	0	0	0	109.7	L226 R228 V241	L226-A230 HydrophobicContact CD1-CB 4.13Å; R228-A230 PolarHBondContact O-N 3.34Å; A230-V241 HydrophobicContact CB-CB 4.1Å; A230-V241 HydrophobicContact CB-CG2 4.31Å; A230-V241 PolarHBondContact N-O 2.86Å; A230-V241 PolarHBondContact O-N 3.42Å
231	I	98.1	Very high	97.2	Very high	92 Å²	92	36 Å²	36	47%	0.472	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.6	172.3	-59.3	175.6	0	0	0	106.4	E233 Q238 V239	I231-E233 HydrophobicContact CG2-CG 4.27Å; I231-Q238 HydrophobicContact CG2-CG 3.77Å; I231-V239 WeakPolarHBondContact CA-O 3.28Å
232	A	98	Very high	97.2	Very high	8 Å²	8	35.9 Å²	35.9	7%	0.066	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.9	173.2	0	0	0	0	0	108.8	F180 V181 Q238 V239	F180-A232 HydrophobicContact CD2-CB 3.86Å; F180-A232 HydrophobicContact CE2-CB 3.66Å; V181-A232 VanDerWaalsContact O-CB 3.22Å; V181-A232 WeakPolarHBondContact O-CB 3.26Å; A232-Q238 WeakPolarHBondContact O-CA 3.25Å; A232-V239 HydrophobicContact CB-CB 4.37Å; A232-V239 PolarHBondContact N-O 3.04Å; A232-V239 PolarHBondContact O-N 3.47Å
233	E	97.7	Very high	97.2	Very high	135 Å²	135	36 Å²	36	63%	0.631	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	118	178.3	-69.4	-179.3	-178.3	0	0	108.7	I231 F237 Q238	I231-E233 HydrophobicContact CG2-CG 4.27Å; E233-F237 WeakPolarHBondContact CA-O 3.35Å; E233-Q238 HydrophobicContact CG-CB 4.28Å; E233-Q238 HydrophobicContact CG-CG 3.99Å; E233-Q238 PolarHBondContact OE1-NE2 3.12Å
234	D	97.1	Very high	97.1	Very high	61 Å²	61	36 Å²	36	33%	0.326	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	144.4	173	-176.8	13.8	0	0	0	109.3	F180 S183 L184 D236 F237	F180-D234 HydrophobicContact CE2-CB 4.2Å; F180-D234 HydrophobicContact CZ-CB 4.4Å; S183-D234 WeakPolarHBondContact CA-OD2 3.47Å; S183-D234 VanDerWaalsContact CB-OD2 3.27Å; S183-D234 WeakPolarHBondContact CB-OD2 3.32Å; L184-D234 VanDerWaalsContact CD1-C 3.46Å; L184-D234 HydrophobicContact CD1-CB 3.42Å; L184-D234 VanDerWaalsContact CD1-CB 3.42Å; L184-D234 VanDerWaalsContact CD1-CG 3.48Å; L184-D234 WeakPolarHBondContact CD1-O 3.29Å; L184-D234 WeakPolarHBondContact CD1-OD2 3.47Å; L184-D234 PolarHBondContact N-OD2 2.63Å; D234-D236 PolarHBondContact O-N 3.23Å; D234-F237 PolarHBondContact N-O 3.38Å; D234-F237 PolarHBondContact O-N 2.95Å
235	A	91.6	Very high	97	Very high	75 Å²	75	36 Å²	36	62%	0.62	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	-126.3	-160.5	0	0	0	0	0	111.1	L184	L184-A235 HydrophobicContact CD1-CB 4.23Å; L184-A235 HydrophobicContact CD2-CB 4.11Å
236	D	93.5	Very high	96.9	Very high	110 Å²	110	36 Å²	36	59%	0.588	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	9.4	177.3	-61.9	-32.9	0	0	0	112.7	R219 D234	R219-D236 WeakPolarHBondContact CD-O 3.43Å; R219-D236 IonicContact NH2-OD2 3.98Å; D234-D236 PolarHBondContact O-N 3.23Å
237	F	97.5	Very high	96.7	Very high	18 Å²	18	37.4 Å²	37.4	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.9	-176.5	-65.9	-76	0	0	0	112	F180 L184 L210 V218 I221 E233 D234	F180-F237 HydrophobicContact CE1-CB 4.25Å; F180-F237 HydrophobicContact CZ-CB 4.05Å; L184-F237 HydrophobicContact CD1-CD2 4.49Å; L184-F237 HydrophobicContact CD2-CD2 4.46Å; L210-F237 HydrophobicContact CB-CD2 4.47Å; L210-F237 HydrophobicContact CB-CE2 3.84Å; L210-F237 HydrophobicContact CB-CZ 4.03Å; L210-F237 HydrophobicContact CD2-CD1 4.21Å; L210-F237 HydrophobicContact CD2-CD2 4.33Å; L210-F237 HydrophobicContact CD2-CE1 4.17Å; L210-F237 HydrophobicContact CD2-CE2 4.28Å; L210-F237 HydrophobicContact CD2-CG 4.3Å; L210-F237 HydrophobicContact CD2-CZ 4.21Å; L210-F237 HydrophobicContact CG-CE2 4.5Å; L210-F237 WeakPolarHBondContact O-CZ 3.21Å; V218-F237 HydrophobicContact CG1-CE1 4.31Å; V218-F237 VanDerWaalsContact O-CE1 3.31Å; V218-F237 WeakPolarHBondContact O-CE1 3.49Å; I221-F237 HydrophobicContact CD1-CD1 4.04Å; I221-F237 HydrophobicContact CD1-CE1 4.47Å; I221-F237 HydrophobicContact CG1-CD1 4.5Å; E233-F237 WeakPolarHBondContact CA-O 3.35Å; D234-F237 PolarHBondContact N-O 3.38Å; D234-F237 PolarHBondContact O-N 2.95Å
238	Q	97.9	Very high	96.4	Very high	42 Å²	42	36.8 Å²	36.8	20%	0.196	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114	161.9	-172.2	-177.2	64.2	0	0	108.9	R219 Q220 I221 I231 A232 E233 V240 H265	R219-Q238 PolarHBondContact O-N 3.08Å; Q220-Q238 WeakPolarHBondContact CA-O 3.44Å; I221-Q238 PolarHBondContact N-O 3.11Å; I231-Q238 HydrophobicContact CG2-CG 3.77Å; A232-Q238 WeakPolarHBondContact O-CA 3.25Å; E233-Q238 HydrophobicContact CG-CB 4.28Å; E233-Q238 HydrophobicContact CG-CG 3.99Å; E233-Q238 PolarHBondContact OE1-NE2 3.12Å; Q238-V240 HydrophobicContact CG-CG2 3.86Å; Q238-H265 PolarHBondContact OE1-NE2 3.36Å
239	V	98.6	Very high	96	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118	173.6	178.5	0	0	0	0	108.4	P178 P179 F180 I221 I231 A232	P178-V239 HydrophobicContact CB-CG1 4Å; P179-V239 HydrophobicContact CG-CG1 4.49Å; P179-V239 HydrophobicContact CG-CG2 3.7Å; F180-V239 HydrophobicContact CD1-CG2 4.08Å; F180-V239 HydrophobicContact CD2-CG2 4.35Å; F180-V239 HydrophobicContact CE1-CG2 3.53Å; F180-V239 HydrophobicContact CE2-CB 4.39Å; F180-V239 HydrophobicContact CE2-CG2 3.84Å; F180-V239 HydrophobicContact CG-CG2 4.46Å; F180-V239 HydrophobicContact CZ-CB 4.36Å; F180-V239 HydrophobicContact CZ-CG2 3.4Å; I221-V239 HydrophobicContact CB-CG2 4.45Å; I221-V239 WeakPolarHBondContact O-CA 3.39Å; I231-V239 WeakPolarHBondContact CA-O 3.28Å; A232-V239 HydrophobicContact CB-CB 4.37Å; A232-V239 PolarHBondContact N-O 3.04Å; A232-V239 PolarHBondContact O-N 3.47Å
240	V	98.8	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110	-173.6	-175.4	0	0	0	0	109.1	I221 F222 C223 Q238 H265	I221-V240 PolarHBondContact O-N 3.45Å; F222-V240 CarbonylContact C-O 3.55Å; F222-V240 WeakPolarHBondContact CA-O 3.49Å; F222-V240 HydrophobicContact CD1-CB 3.71Å; F222-V240 HydrophobicContact CD1-CG1 3.93Å; F222-V240 HydrophobicContact CD1-CG2 4.33Å; F222-V240 HydrophobicContact CE1-CB 3.93Å; F222-V240 HydrophobicContact CE1-CG1 4.02Å; F222-V240 HydrophobicContact CE1-CG2 4.11Å; C223-V240 PolarHBondContact N-O 2.85Å; Q238-V240 HydrophobicContact CG-CG2 3.86Å; V240-H265 VanDerWaalsContact CG2-NE2 3.26Å; V240-H265 WeakPolarHBondContact CG2-NE2 3.43Å
241	V	98.7	Very high	95.7	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.3	176.1	-172.8	0	0	0	0	110.4	P178 C223 G224 L226 R228 N229 A230	P178-V241 HydrophobicContact CB-CG2 4.43Å; P178-V241 HydrophobicContact CG-CG2 3.69Å; C223-V241 HydrophobicContact CB-CG2 4.29Å; C223-V241 WeakPolarHBondContact O-CA 3.36Å; G224-V241 WeakPolarHBondContact O-CG1 3.47Å; L226-V241 HydrophobicContact CB-CG1 3.87Å; L226-V241 HydrophobicContact CD1-CB 4.23Å; L226-V241 HydrophobicContact CD1-CG1 4.17Å; L226-V241 HydrophobicContact CD1-CG2 3.77Å; L226-V241 HydrophobicContact CG-CB 4.46Å; L226-V241 HydrophobicContact CG-CG1 3.88Å; L226-V241 HydrophobicContact CG-CG2 4.15Å; R228-V241 WeakPolarHBondContact O-CG1 3.23Å; N229-V241 WeakPolarHBondContact CA-O 3.23Å; A230-V241 HydrophobicContact CB-CB 4.1Å; A230-V241 HydrophobicContact CB-CG2 4.31Å; A230-V241 PolarHBondContact N-O 2.86Å; A230-V241 PolarHBondContact O-N 3.42Å
242	T	98.7	Very high	95.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-96.8	136.5	175.4	-59.3	0	0	0	0	109.7	A20 C223 R254 Y267	A20-T242 HydrophobicContact CB-CG2 4.04Å; A20-T242 WeakPolarHBondContact CB-O 3.47Å; C223-T242 PolarHBondContact O-N 3.1Å; T242-R254 HydrophobicContact CG2-CB 3.83Å; T242-R254 WeakPolarHBondContact OG1-CB 3.41Å; T242-R254 WeakPolarHBondContact OG1-CD 3.19Å; T242-R254 PolarHBondContact OG1-NE 3.47Å; T242-R254 VanDerWaalsContact OG1-NE 3.13Å; T242-Y267 HydrophobicContact CG2-CD2 4.21Å; T242-Y267 HydrophobicContact CG2-CE2 4.04Å
243	N	97.8	Very high	95.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.011	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-60.4	150.2	176.7	-173.2	37.6	0	0	0	112.2	H227 R228 N229 S247 N250 Y267	H227-N243 PolarHBondContact O-OD1 2.76Å; R228-N243 WeakPolarHBondContact CA-OD1 3.32Å; R228-N243 PolarHBondContact N-OD1 2.97Å; N229-N243 PolarHBondContact OD1-N 3.44Å; N243-S247 VanDerWaalsContact ND2-CB 3.33Å; N243-S247 WeakPolarHBondContact ND2-CB 3.48Å; N243-N250 PolarHBondContact ND2-ND2 3.11Å; N243-N250 PolarHBondContact ND2-O 2.62Å; N243-Y267 HydrophobicContact CB-CE2 3.87Å
244	S	97.4	Very high	95.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-65.9	138.3	173	171.6	0	0	0	0	111.2	A20 D21 H227 T246 S247	A20-S244 VanDerWaalsContact O-CA 3.31Å; A20-S244 WeakPolarHBondContact O-CA 3.34Å; D21-S244 PolarHBondContact O-OG 3.37Å; H227-S244 WeakPolarHBondContact ND1-CB 3.27Å; S244-T246 PolarHBondContact O-N 2.8Å; S244-T246 WeakPolarHBondContact OG-CB 3.4Å; S244-T246 PolarHBondContact OG-N 3.17Å; S244-T246 PolarHBondContact OG-OG1 3.36Å; S244-S247 WeakPolarHBondContact O-CB 3.34Å; S244-S247 PolarHBondContact O-N 3.47Å
245	T	96.5	Very high	95.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-13	170.9	55.4	0	0	0	0	113.1	I19 A20 P22 L40 T44 S247 N251 G252	I19-T245 HydrophobicContact CG2-CG2 3.74Å; A20-T245 PolarHBondContact O-N 3.45Å; P22-T245 WeakPolarHBondContact CA-OG1 3.36Å; P22-T245 WeakPolarHBondContact CB-OG1 3.49Å; L40-T245 WeakPolarHBondContact CB-O 3.5Å; L40-T245 VanDerWaalsContact CD1-O 3.24Å; L40-T245 WeakPolarHBondContact CD1-O 3.48Å; T44-T245 HydrophobicContact CG2-CG2 4.28Å; T245-S247 PolarHBondContact O-N 3.35Å; T245-N251 WeakPolarHBondContact CA-OD1 3.29Å; T245-N251 VanDerWaalsContact CB-OD1 3.26Å; T245-N251 WeakPolarHBondContact CB-OD1 3.2Å; T245-N251 PolarHBondContact O-OD1 3.27Å; T245-N251 VanDerWaalsContact O-OD1 3.09Å; T245-G252 VanDerWaalsContact CG2-O 3.32Å; T245-G252 WeakPolarHBondContact CG2-O 3.24Å
246	T	94.4	Very high	96.2	Very high	6 Å²	6	19.6 Å²	19.6	4%	0.037	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-11.8	174.2	67.4	0	0	0	0	113.3	D21 P22 Q23 L26 E37 S244 V248	D21-T246 WeakPolarHBondContact O-CG2 3Å; P22-T246 WeakPolarHBondContact O-CG2 3.45Å; Q23-T246 HydrophobicContact CB-CG2 4.06Å; L26-T246 HydrophobicContact CD2-CG2 3.87Å; L26-T246 WeakPolarHBondContact CD2-OG1 3.35Å; E37-T246 HydrophobicContact CG-CG2 3.87Å; S244-T246 PolarHBondContact O-N 2.8Å; S244-T246 WeakPolarHBondContact OG-CB 3.4Å; S244-T246 PolarHBondContact OG-N 3.17Å; S244-T246 PolarHBondContact OG-OG1 3.36Å; T246-V248 PolarHBondContact O-N 3.13Å
247	S	91.4	Very high	96.4	Very high	35 Å²	35	15.8 Å²	15.8	25%	0.245	10%	0.095	C	C	.	.			trans	-70.2	94.7	177.5	-173.6	0	0	0	0	110.7	N243 S244 T245 A249 N250 N251	N243-S247 VanDerWaalsContact ND2-CB 3.33Å; N243-S247 WeakPolarHBondContact ND2-CB 3.48Å; S244-S247 WeakPolarHBondContact O-CB 3.34Å; S244-S247 PolarHBondContact O-N 3.47Å; T245-S247 PolarHBondContact O-N 3.35Å; S247-A249 PolarHBondContact O-N 2.73Å; S247-A249 VanDerWaalsContact O-N 3.13Å; S247-N250 CarbonylContact O-C 3.59Å; S247-N250 PolarHBondContact O-N 2.99Å; S247-N250 PolarHBondContact OG-N 3.49Å; S247-N251 WeakPolarHBondContact O-CA 3.01Å; S247-N251 WeakPolarHBondContact O-CB 3.28Å; S247-N251 PolarHBondContact O-N 3.12Å
248	V	88.8	Confident	96.4	Very high	14 Å²	14	15 Å²	15	9%	0.085	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-36.6	178	176.2	0	0	0	0	112.2	L27 V36 L40 T246 S272 L275 T277	L27-V248 HydrophobicContact CD1-CG2 4.38Å; V36-V248 HydrophobicContact CG1-CG2 4.02Å; L40-V248 HydrophobicContact CD1-CG2 4.01Å; T246-V248 PolarHBondContact O-N 3.13Å; V248-S272 VanDerWaalsContact O-CB 3.24Å; V248-S272 WeakPolarHBondContact O-CB 3.33Å; V248-S272 PolarHBondContact O-OG 2.89Å; V248-L275 HydrophobicContact CG1-CB 4.13Å; V248-L275 WeakPolarHBondContact CG1-O 3.22Å; V248-T277 HydrophobicContact CB-CG2 4.47Å
249	A	88.9	Confident	96.3	Very high	92 Å²	92	13.1 Å²	13.1	76%	0.76	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-24.2	180	0	0	0	0	0	114	S247	S247-A249 PolarHBondContact O-N 2.73Å; S247-A249 VanDerWaalsContact O-N 3.13Å
250	N	91.7	Very high	96.1	Very high	61 Å²	61	16.1 Å²	16.1	33%	0.326	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.5	35.2	-172	-170.9	43.3	0	0	0	112.8	N243 S247 Y267	N243-N250 PolarHBondContact ND2-ND2 3.11Å; N243-N250 PolarHBondContact ND2-O 2.62Å; S247-N250 CarbonylContact O-C 3.59Å; S247-N250 PolarHBondContact O-N 2.99Å; S247-N250 PolarHBondContact OG-N 3.49Å; N250-Y267 PolarHBondContact O-OH 3.43Å
251	N	96	Very high	95.9	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.127	C	C	.	.			trans	-58.1	151.7	177.4	177.7	39.3	0	0	0	110.7	L40 T44 T245 S247 Y267 P269 V270	L40-N251 HydrophobicContact CD2-CB 3.92Å; L40-N251 PolarHBondContact O-ND2 3.03Å; T44-N251 PolarHBondContact OG1-ND2 2.95Å; T44-N251 PolarHBondContact OG1-OD1 2.98Å; T245-N251 WeakPolarHBondContact CA-OD1 3.29Å; T245-N251 VanDerWaalsContact CB-OD1 3.26Å; T245-N251 WeakPolarHBondContact CB-OD1 3.2Å; T245-N251 PolarHBondContact O-OD1 3.27Å; T245-N251 VanDerWaalsContact O-OD1 3.09Å; S247-N251 WeakPolarHBondContact O-CA 3.01Å; S247-N251 WeakPolarHBondContact O-CB 3.28Å; S247-N251 PolarHBondContact O-N 3.12Å; N251-Y267 VanDerWaalsContact C-OH 3.26Å; N251-P269 CarbonylContact O-C 3.58Å; N251-P269 WeakPolarHBondContact O-CA 3.23Å; N251-V270 PolarHBondContact O-N 3.09Å
252	G	97.8	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157	-168.3	-177.9	0	0	0	0	0	114.2	T245 Y267 I268	T245-G252 VanDerWaalsContact CG2-O 3.32Å; T245-G252 WeakPolarHBondContact CG2-O 3.24Å; G252-Y267 VanDerWaalsContact CA-OH 3.27Å; G252-Y267 WeakPolarHBondContact CA-OH 3.25Å; G252-Y267 PolarHBondContact N-OH 3.5Å; G252-I268 WeakPolarHBondContact CA-O 3.26Å
253	Y	98.7	Very high	95.6	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	164.6	-178.4	66.8	-81.9	0	0	0	110.1	A17 I18 T44 A47 I48 L51 L255 Y267 I268 V270	A17-Y253 HydrophobicContact CB-CD2 3.92Å; A17-Y253 HydrophobicContact CB-CE2 4.32Å; I18-Y253 WeakPolarHBondContact O-CA 3.39Å; I18-Y253 WeakPolarHBondContact O-CB 3.21Å; T44-Y253 HydrophobicContact CG2-CD1 3.99Å; T44-Y253 HydrophobicContact CG2-CG 4.31Å; A47-Y253 HydrophobicContact CB-CE1 4.12Å; I48-Y253 HydrophobicContact CD1-CD1 4.24Å; I48-Y253 HydrophobicContact CD1-CD2 4.07Å; I48-Y253 HydrophobicContact CD1-CG 3.92Å; I48-Y253 HydrophobicContact CG1-CD1 3.82Å; I48-Y253 HydrophobicContact CG1-CD2 3.81Å; I48-Y253 HydrophobicContact CG1-CE1 3.77Å; I48-Y253 HydrophobicContact CG1-CE2 3.76Å; I48-Y253 HydrophobicContact CG1-CG 3.83Å; L51-Y253 HydrophobicContact CD1-CE2 4.39Å; L51-Y253 WeakPolarHBondContact CD2-OH 3.18Å; Y253-L255 HydrophobicContact CE2-CB 3.98Å; Y253-L255 HydrophobicContact CE2-CD1 4.48Å; Y253-Y267 WeakPolarHBondContact O-CD2 3.34Å; Y253-I268 HydrophobicContact CD1-CB 4.09Å; Y253-I268 HydrophobicContact CD1-CG2 4.41Å; Y253-I268 HydrophobicContact CE1-CB 3.68Å; Y253-I268 HydrophobicContact CE1-CG1 4.32Å; Y253-I268 HydrophobicContact CE1-CG2 3.64Å; Y253-I268 HydrophobicContact CE2-CB 4.19Å; Y253-I268 HydrophobicContact CE2-CG1 3.99Å; Y253-I268 PolarHBondContact N-O 2.92Å; Y253-I268 VanDerWaalsContact N-O 3.13Å; Y253-I268 PolarHBondContact O-N 3.29Å; Y253-V270 HydrophobicContact CD1-CG2 3.91Å; Y253-V270 HydrophobicContact CE1-CG2 4Å
254	R	98.8	Very high	95.5	Very high	12 Å²	12	29.7 Å²	29.7	5%	0.045	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.9	171.3	-177.2	165.7	-60.6	-82.7	-6.3	110.1	A17 I18 N229 T242 V256 H265 R266	A17-R254 CarbonylContact C-O 3.58Å; A17-R254 VanDerWaalsContact CA-O 3.31Å; A17-R254 WeakPolarHBondContact CA-O 3.43Å; I18-R254 HydrophobicContact CB-CB 4.2Å; I18-R254 PolarHBondContact N-O 3.39Å; I18-R254 PolarHBondContact O-N 2.9Å; N229-R254 PolarHBondContact OD1-NH2 2.61Å; T242-R254 HydrophobicContact CG2-CB 3.83Å; T242-R254 WeakPolarHBondContact OG1-CB 3.41Å; T242-R254 WeakPolarHBondContact OG1-CD 3.19Å; T242-R254 PolarHBondContact OG1-NE 3.47Å; T242-R254 VanDerWaalsContact OG1-NE 3.13Å; R254-V256 HydrophobicContact CG-CG2 4.16Å; R254-H265 HydrophobicContact CG-CB 4.14Å; R254-H265 PolarHBondContact NH1-ND1 3Å; R254-R266 WeakPolarHBondContact CA-O 3.25Å
255	L	98.8	Very high	95.5	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.6	170.9	-176.6	64.6	0	0	0	108.6	L51 P55 Y253 H265 R266 I268	L51-L255 HydrophobicContact CD1-CD1 4.06Å; P55-L255 HydrophobicContact CG-CD1 4.46Å; Y253-L255 HydrophobicContact CE2-CB 3.98Å; Y253-L255 HydrophobicContact CE2-CD1 4.48Å; L255-H265 CarbonylContact O-C 3.58Å; L255-H265 VanDerWaalsContact O-CA 3.23Å; L255-H265 WeakPolarHBondContact O-CA 3.29Å; L255-R266 HydrophobicContact CB-CG 4.49Å; L255-R266 PolarHBondContact N-O 3.46Å; L255-R266 PolarHBondContact O-N 3.23Å; L255-I268 HydrophobicContact CB-CG1 4.1Å
256	V	98.6	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.4	178	-173	0	0	0	0	108.9	S15 F16 I18 F222 R254 I263 T264 H265	S15-V256 CarbonylContact C-O 3.56Å; S15-V256 WeakPolarHBondContact CA-O 3.36Å; S15-V256 WeakPolarHBondContact CB-O 3.31Å; F16-V256 HydrophobicContact CD1-CB 3.87Å; F16-V256 HydrophobicContact CD1-CG1 4.08Å; F16-V256 HydrophobicContact CD2-CB 4.2Å; F16-V256 HydrophobicContact CD2-CG2 4.3Å; F16-V256 HydrophobicContact CE1-CB 3.47Å; F16-V256 VanDerWaalsContact CE1-CB 3.47Å; F16-V256 HydrophobicContact CE1-CG1 3.27Å; F16-V256 HydrophobicContact CE1-CG2 4.22Å; F16-V256 HydrophobicContact CE2-CB 3.85Å; F16-V256 HydrophobicContact CE2-CG1 4.28Å; F16-V256 HydrophobicContact CE2-CG2 3.73Å; F16-V256 HydrophobicContact CG-CB 4.22Å; F16-V256 HydrophobicContact CZ-CB 3.47Å; F16-V256 VanDerWaalsContact CZ-CB 3.47Å; F16-V256 HydrophobicContact CZ-CG1 3.41Å; F16-V256 VanDerWaalsContact CZ-CG1 3.41Å; F16-V256 HydrophobicContact CZ-CG2 3.68Å; F16-V256 PolarHBondContact N-O 2.91Å; F16-V256 PolarHBondContact O-N 3.32Å; I18-V256 HydrophobicContact CD1-CG2 3.9Å; I18-V256 HydrophobicContact CG1-CG2 4.27Å; F222-V256 HydrophobicContact CD1-CG2 4.42Å; F222-V256 HydrophobicContact CE1-CG2 3.84Å; F222-V256 HydrophobicContact CE2-CG1 4.4Å; F222-V256 HydrophobicContact CZ-CG1 3.91Å; F222-V256 HydrophobicContact CZ-CG2 3.93Å; R254-V256 HydrophobicContact CG-CG2 4.16Å; V256-I263 HydrophobicContact CG1-CG2 3.28Å; V256-T264 CarbonylContact C-O 3.38Å; V256-T264 WeakPolarHBondContact CA-O 3.46Å; V256-T264 WeakPolarHBondContact CG1-O 3.17Å; V256-H265 HydrophobicContact CB-CB 4.39Å; V256-H265 HydrophobicContact CG1-CB 4.35Å; V256-H265 HydrophobicContact CG2-CB 3.91Å
257	R	98	Very high	95.8	Very high	31 Å²	31	37.7 Å²	37.7	12%	0.117	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131	178.1	-69.4	-176.7	179.4	139.1	-3.2	109.5	E6 Y12 Y259 I263 T264	E6-R257 IonicContact OE2-NH1 3.18Å; E6-R257 PolarHBondContact OE2-NH1 3.41Å; Y12-R257 HydrophobicContact CE2-CB 4.07Å; Y12-R257 HydrophobicContact CE2-CG 4.14Å; R257-Y259 HydrophobicContact CB-CD2 4.4Å; R257-Y259 HydrophobicContact CB-CE2 3.58Å; R257-Y259 WeakPolarHBondContact CD-OH 3.3Å; R257-I263 WeakPolarHBondContact O-CA 3.29Å; R257-T264 PolarHBondContact N-O 3.49Å; R257-T264 PolarHBondContact O-N 3.01Å
258	V	97.8	Very high	96.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124	-179.7	-176.1	0	0	0	0	108.2	I13 G14 F16 L127 F131 I263	I13-V258 HydrophobicContact CB-CG1 4.41Å; I13-V258 WeakPolarHBondContact CB-O 3.16Å; I13-V258 HydrophobicContact CD1-CG1 4.36Å; I13-V258 PolarHBondContact N-O 2.73Å; G14-V258 PolarHBondContact N-O 3.26Å; G14-V258 PolarHBondContact O-N 3.13Å; F16-V258 HydrophobicContact CD1-CG2 4.2Å; F16-V258 HydrophobicContact CE1-CG2 4.12Å; L127-V258 HydrophobicContact CB-CB 4.31Å; L127-V258 HydrophobicContact CB-CG1 4.22Å; L127-V258 HydrophobicContact CB-CG2 4.4Å; L127-V258 HydrophobicContact CD1-CB 4.02Å; L127-V258 HydrophobicContact CD1-CG2 3.56Å; F131-V258 HydrophobicContact CZ-CG2 4.48Å; V258-I263 HydrophobicContact CG1-CG1 4.37Å; V258-I263 HydrophobicContact CG2-CG1 4.38Å
259	Y	96.9	Very high	96.5	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	168.7	171.9	-58.5	-99.5	0	0	0	108.8	E6 D11 Y12 H170 R257 E261 H262 T264	E6-Y259 WeakPolarHBondContact CB-OH 3.38Å; D11-Y259 CarbonylContact O-C 3.54Å; D11-Y259 WeakPolarHBondContact O-CA 3.3Å; Y12-Y259 HydrophobicContact CD2-CD1 4.11Å; Y12-Y259 AromaticContact CD2-CE1 3.71Å; Y12-Y259 HydrophobicContact CD2-CE1 3.71Å; Y12-Y259 HydrophobicContact CD2-CE2 4.43Å; Y12-Y259 AromaticContact CD2-CZ 3.89Å; Y12-Y259 HydrophobicContact CG-CE1 4.26Å; H170-Y259 PolarHBondContact NE2-O 3.29Å; R257-Y259 HydrophobicContact CB-CD2 4.4Å; R257-Y259 HydrophobicContact CB-CE2 3.58Å; R257-Y259 WeakPolarHBondContact CD-OH 3.3Å; Y259-E261 VanDerWaalsContact C-N 3.29Å; Y259-E261 PolarHBondContact O-N 3.37Å; Y259-H262 CarbonylContact C-O 3.55Å; Y259-H262 WeakPolarHBondContact CA-O 3.46Å; Y259-H262 WeakPolarHBondContact CB-O 3.33Å; Y259-H262 AromaticContact CD2-CD2 3.81Å; Y259-H262 AromaticContact CD2-CE1 3.95Å; Y259-H262 AromaticContact CD2-NE2 3.42Å; Y259-H262 WeakPolarHBondContact CD2-NE2 3.45Å; Y259-H262 AromaticContact CE2-NE2 3.94Å; Y259-H262 AromaticContact CG-CE1 3.63Å; Y259-H262 AromaticContact CG-NE2 3.58Å; Y259-H262 PolarHBondContact N-O 3.46Å; Y259-T264 HydrophobicContact CD2-CG2 4.5Å; Y259-T264 HydrophobicContact CE2-CG2 4.13Å
260	K	94.7	Very high	96.9	Very high	63 Å²	63	37.3 Å²	37.3	27%	0.274	18%	0.18	S	C	.	.	S	Bend	trans	-52.8	-44	179.3	-79.6	-174.3	-158	146.8	0	114	D10 D11 I13 R169 H170	D10-K260 VanDerWaalsContact O-CE 3.25Å; D10-K260 WeakPolarHBondContact O-CE 3.37Å; D10-K260 PolarHBondContact O-NZ 3.02Å; D11-K260 HydrophobicContact CB-CB 4.12Å; D11-K260 HydrophobicContact CB-CD 4.31Å; D11-K260 HydrophobicContact CB-CG 4.29Å; D11-K260 PolarHBondContact O-N 2.86Å; D11-K260 WeakPolarHBondContact OD1-CD 3.44Å; D11-K260 IonicContact OD1-NZ 2.94Å; D11-K260 PolarHBondContact OD1-NZ 2.82Å; I13-K260 HydrophobicContact CD1-CG 4.17Å; I13-K260 HydrophobicContact CG1-CG 4.29Å; R169-K260 WeakPolarHBondContact CD-O 3.23Å; R169-K260 VanDerWaalsContact NH1-C 3.34Å; R169-K260 VanDerWaalsContact NH1-CB 3.31Å; R169-K260 PolarHBondContact NH1-O 2.98Å; H170-K260 PolarHBondContact NE2-O 3.24Å
261	E	92.8	Very high	96.9	Very high	140 Å²	140	39 Å²	39	65%	0.654	19%	0.194	S	C	*	.	S	Bend	trans	-114.3	-7.3	-170.6	-56.5	-54.7	137.1	0	0	113.6	R169 Y259	R169-E261 IonicContact CZ-OE1 3.7Å; R169-E261 IonicContact NH1-OE1 3.16Å; R169-E261 PolarHBondContact NH1-OE1 3.39Å; Y259-E261 VanDerWaalsContact C-N 3.29Å; Y259-E261 PolarHBondContact O-N 3.37Å
262	H	94.2	Very high	96.4	Very high	92 Å²	92	39.6 Å²	39.6	43%	0.426	20%	0.199	S	C	.	.			trans	-155.8	167.1	-177.9	65.7	-80.2	0	0	0	112.3	H170 Y259	H170-H262 PolarHBondContact CE1-N 3.44Å; Y259-H262 CarbonylContact C-O 3.55Å; Y259-H262 WeakPolarHBondContact CA-O 3.46Å; Y259-H262 WeakPolarHBondContact CB-O 3.33Å; Y259-H262 AromaticContact CD2-CD2 3.81Å; Y259-H262 AromaticContact CD2-CE1 3.95Å; Y259-H262 AromaticContact CD2-NE2 3.42Å; Y259-H262 WeakPolarHBondContact CD2-NE2 3.45Å; Y259-H262 AromaticContact CE2-NE2 3.94Å; Y259-H262 AromaticContact CG-CE1 3.63Å; Y259-H262 AromaticContact CG-NE2 3.58Å; Y259-H262 PolarHBondContact N-O 3.46Å
263	I	96.6	Very high	95.6	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.082	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.2	173.7	-65.4	176.1	0	0	0	107.9	H170 V172 Q220 V256 R257 V258	H170-I263 HydrophobicContact CB-CD1 3.85Å; V172-I263 HydrophobicContact CG2-CD1 3.34Å; Q220-I263 PolarHBondContact NE2-O 2.78Å; V256-I263 HydrophobicContact CG1-CG2 3.28Å; R257-I263 WeakPolarHBondContact O-CA 3.29Å; V258-I263 HydrophobicContact CG1-CG1 4.37Å; V258-I263 HydrophobicContact CG2-CG1 4.38Å
264	T	97.1	Very high	94.5	Very high	43 Å²	43	52.7 Å²	52.7	26%	0.264	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	156.1	171.6	70.8	0	0	0	0	110.3	V256 R257 Y259	V256-T264 CarbonylContact C-O 3.38Å; V256-T264 WeakPolarHBondContact CA-O 3.46Å; V256-T264 WeakPolarHBondContact CG1-O 3.17Å; R257-T264 PolarHBondContact N-O 3.49Å; R257-T264 PolarHBondContact O-N 3.01Å; Y259-T264 HydrophobicContact CD2-CG2 4.5Å; Y259-T264 HydrophobicContact CE2-CG2 4.13Å
265	H	98	Very high	93.5	Very high	40 Å²	40	54 Å²	54	19%	0.185	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.8	176.4	64.6	58.7	0	0	0	111.9	F222 Q238 V240 R254 L255 V256	F222-H265 HydrophobicContact CE1-CB 4.15Å; F222-H265 AromaticContact CE1-CD2 3.6Å; F222-H265 AromaticContact CZ-CD2 3.94Å; Q238-H265 PolarHBondContact OE1-NE2 3.36Å; V240-H265 VanDerWaalsContact CG2-NE2 3.26Å; V240-H265 WeakPolarHBondContact CG2-NE2 3.43Å; R254-H265 HydrophobicContact CG-CB 4.14Å; R254-H265 PolarHBondContact NH1-ND1 3Å; L255-H265 CarbonylContact O-C 3.58Å; L255-H265 VanDerWaalsContact O-CA 3.23Å; L255-H265 WeakPolarHBondContact O-CA 3.29Å; V256-H265 HydrophobicContact CB-CB 4.39Å; V256-H265 HydrophobicContact CG1-CB 4.35Å; V256-H265 HydrophobicContact CG2-CB 3.91Å
266	R	98	Very high	92.4	Very high	100 Å²	100	57.9 Å²	57.9	38%	0.377	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.4	171.3	62.3	-176.5	-174.1	174.7	9.8	111	R254 L255 I268	R254-R266 WeakPolarHBondContact CA-O 3.25Å; L255-R266 HydrophobicContact CB-CG 4.49Å; L255-R266 PolarHBondContact N-O 3.46Å; L255-R266 PolarHBondContact O-N 3.23Å; R266-I268 HydrophobicContact CG-CD1 3.77Å; R266-I268 HydrophobicContact CG-CG1 4.48Å
267	Y	98.5	Very high	90.9	Very high	35 Å²	35	62.9 Å²	62.9	14%	0.137	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.9	168.3	-170	-106.2	0	0	0	109.3	N229 T242 N243 N250 N251 G252 Y253 P269	N229-Y267 WeakPolarHBondContact ND2-CD1 3.47Å; N229-Y267 WeakPolarHBondContact ND2-CD2 3.36Å; N229-Y267 WeakPolarHBondContact ND2-CE1 3.34Å; N229-Y267 WeakPolarHBondContact OD1-CD2 3.44Å; T242-Y267 HydrophobicContact CG2-CD2 4.21Å; T242-Y267 HydrophobicContact CG2-CE2 4.04Å; N243-Y267 HydrophobicContact CB-CE2 3.87Å; N250-Y267 PolarHBondContact O-OH 3.43Å; N251-Y267 VanDerWaalsContact C-OH 3.26Å; G252-Y267 VanDerWaalsContact CA-OH 3.27Å; G252-Y267 WeakPolarHBondContact CA-OH 3.25Å; G252-Y267 PolarHBondContact N-OH 3.5Å; Y253-Y267 WeakPolarHBondContact O-CD2 3.34Å; Y267-P269 HydrophobicContact CD1-CG 4.1Å; Y267-P269 HydrophobicContact CE1-CG 4.28Å; Y267-P269 WeakPolarHBondContact O-CD 3.47Å
268	I	98.2	Very high	89.5	Confident	36 Å²	36	62.7 Å²	62.7	19%	0.185	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	103.7	176.5	-55.3	-61.3	0	0	0	107.3	G252 Y253 L255 R266	G252-I268 WeakPolarHBondContact CA-O 3.26Å; Y253-I268 HydrophobicContact CD1-CB 4.09Å; Y253-I268 HydrophobicContact CD1-CG2 4.41Å; Y253-I268 HydrophobicContact CE1-CB 3.68Å; Y253-I268 HydrophobicContact CE1-CG1 4.32Å; Y253-I268 HydrophobicContact CE1-CG2 3.64Å; Y253-I268 HydrophobicContact CE2-CB 4.19Å; Y253-I268 HydrophobicContact CE2-CG1 3.99Å; Y253-I268 PolarHBondContact N-O 2.92Å; Y253-I268 VanDerWaalsContact N-O 3.13Å; Y253-I268 PolarHBondContact O-N 3.29Å; L255-I268 HydrophobicContact CB-CG1 4.1Å; R266-I268 HydrophobicContact CG-CD1 3.77Å; R266-I268 HydrophobicContact CG-CG1 4.48Å
269	P	97.2	Very high	88	Confident	86 Å²	86	68.1 Å²	68.1	56%	0.558	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	138.9	171	-19.9	32.4	0	0	0	110.5	N251 Y267	N251-P269 CarbonylContact O-C 3.58Å; N251-P269 WeakPolarHBondContact O-CA 3.23Å; Y267-P269 HydrophobicContact CD1-CG 4.1Å; Y267-P269 HydrophobicContact CE1-CG 4.28Å; Y267-P269 WeakPolarHBondContact O-CD 3.47Å
270	V	97.3	Very high	86.1	Confident	11 Å²	11	72.9 Å²	72.9	7%	0.067	41%	0.411	C	S	.	.			trans	-120.8	122.1	176.9	175.8	0	0	0	0	108	N43 A47 N251 Y253 S272	N43-V270 HydrophobicContact CB-CG1 3.83Å; A47-V270 HydrophobicContact CB-CG1 4.16Å; A47-V270 HydrophobicContact CB-CG2 3.63Å; N251-V270 PolarHBondContact O-N 3.09Å; Y253-V270 HydrophobicContact CD1-CG2 3.91Å; Y253-V270 HydrophobicContact CE1-CG2 4Å; V270-S272 PolarHBondContact O-N 3.15Å
271	P	90.7	Very high	84.3	Confident	96 Å²	96	72.2 Å²	72.2	62%	0.623	41%	0.413	S	S	*	.			trans	-56.6	136.4	-179.2	-26	34.4	0	0	0	113	N43 N273	N43-P271 PolarHBondContact ND2-O 2.97Å; P271-N273 VanDerWaalsContact C-N 3.25Å; P271-N273 PolarHBondContact O-N 3.03Å
272	S	85.5	Confident	82.5	Confident	15 Å²	15	68.9 Å²	68.9	11%	0.105	40%	0.396	C	S	.	.			trans	-87.9	14.8	177.9	-52.8	0	0	0	0	113	L40 V248 V270 N274 L275	L40-S272 WeakPolarHBondContact CD2-OG 3.35Å; V248-S272 VanDerWaalsContact O-CB 3.24Å; V248-S272 WeakPolarHBondContact O-CB 3.33Å; V248-S272 PolarHBondContact O-OG 2.89Å; V270-S272 PolarHBondContact O-N 3.15Å; S272-N274 VanDerWaalsContact C-N 3.26Å; S272-N274 PolarHBondContact O-N 3.32Å; S272-N274 VanDerWaalsContact O-N 3.07Å; S272-L275 WeakPolarHBondContact O-CB 3.48Å; S272-L275 WeakPolarHBondContact O-CD1 3.5Å; S272-L275 WeakPolarHBondContact O-CG 3.33Å; S272-L275 PolarHBondContact O-N 3.02Å
273	N	81.9	Confident	80.6	Confident	109 Å²	109	66.7 Å²	66.7	58%	0.583	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	39.4	177.1	-60.3	-22.5	0	0	0	115.3	N43 P271 L275	N43-N273 PolarHBondContact ND2-ND2 3.49Å; N43-N273 VanDerWaalsContact ND2-ND2 3.15Å; N43-N273 PolarHBondContact OD1-ND2 3.36Å; P271-N273 VanDerWaalsContact C-N 3.25Å; P271-N273 PolarHBondContact O-N 3.03Å; N273-L275 VanDerWaalsContact C-N 3.3Å; N273-L275 PolarHBondContact O-N 3.23Å
274	N	74.5	Confident	78.4	Confident	170 Å²	170	71.3 Å²	71.3	91%	0.909	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	27.5	-177.2	-53.7	-40.2	0	0	0	115.2	S272	S272-N274 VanDerWaalsContact C-N 3.26Å; S272-N274 PolarHBondContact O-N 3.32Å; S272-N274 VanDerWaalsContact O-N 3.07Å
275	L	78.7	Confident	75.9	Confident	38 Å²	38	70.9 Å²	70.9	20%	0.199	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-55.9	141.7	169.1	-73.9	165.3	0	0	0	110.7	V36 T39 L40 V248 S272 N273 T277	V36-L275 HydrophobicContact CG1-CD1 4.26Å; T39-L275 HydrophobicContact CG2-CD1 3.79Å; T39-L275 HydrophobicContact CG2-CD2 4.34Å; T39-L275 HydrophobicContact CG2-CG 4.46Å; L40-L275 HydrophobicContact CD2-CD1 3.64Å; L40-L275 HydrophobicContact CG-CD1 3.94Å; V248-L275 HydrophobicContact CG1-CB 4.13Å; V248-L275 WeakPolarHBondContact CG1-O 3.22Å; S272-L275 WeakPolarHBondContact O-CB 3.48Å; S272-L275 WeakPolarHBondContact O-CD1 3.5Å; S272-L275 WeakPolarHBondContact O-CG 3.33Å; S272-L275 PolarHBondContact O-N 3.02Å; N273-L275 VanDerWaalsContact C-N 3.3Å; N273-L275 PolarHBondContact O-N 3.23Å; L275-T277 PolarHBondContact O-N 2.88Å
276	P	74.2	Confident	73.2	Confident	91 Å²	91	80.7 Å²	80.7	59%	0.591	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-63.5	136.4	176.4	26.9	-33.1	0	0	0	109.8	P278	P276-P278 WeakPolarHBondContact O-CD 3.36Å
277	T	68.9	Low	72	Confident	104 Å²	104	79.8 Å²	79.8	64%	0.638	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-81	118.1	172.6	-52.3	0	0	0	0	108.6	V248 L275	V248-T277 HydrophobicContact CB-CG2 4.47Å; L275-T277 PolarHBondContact O-N 2.88Å
278	P	66.8	Low	70.6	Confident	27 Å²	27	82.1 Å²	82.1	18%	0.175	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-64.4	161.6	172.1	-16.8	31.3	0	0	0	110.9	L27 P276	L27-P278 HydrophobicContact CB-CG 3.89Å; L27-P278 HydrophobicContact CD1-CG 4.09Å; L27-P278 HydrophobicContact CD2-CG 4.05Å; L27-P278 HydrophobicContact CG-CG 4.21Å; P276-P278 WeakPolarHBondContact O-CD 3.36Å
279	P	66.3	Low	69.1	Low	115 Å²	115	84.7 Å²	84.7	75%	0.747	50%	0.501	S	S	*	.	S	Bend	trans	-54.3	143.9	170.8	22.2	-30.8	0	0	0	110.9	T281	P279-T281 PolarHBondContact O-N 3.37Å
280	A	58.9	Low	67.4	Low	104 Å²	104	84.6 Å²	84.6	86%	0.86	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-55.9	125.5	-175.2	0	0	0	0	0	111.8
281	T	56	Low	65.5	Low	49 Å²	49	89.2 Å²	89.2	30%	0.301	53%	0.525	S	S	.	.			trans	-98	-24.8	-175.8	51.4	0	0	0	0	113.8	R192 P279	R192-T281 PolarHBondContact NH2-O 2.81Å; P279-T281 PolarHBondContact O-N 3.37Å
282	F	55.6	Low	63.9	Low	69 Å²	69	88.7 Å²	88.7	30%	0.303	52%	0.518	S	S	.	.	S	Bend	trans	-105.3	130.9	-177.8	-82.6	-91	0	0	0	112.9	L26 H227	L26-F282 HydrophobicContact CD1-CE2 3.85Å; L26-F282 HydrophobicContact CD1-CZ 4.39Å; L26-F282 HydrophobicContact CD2-CE2 3.87Å; L26-F282 HydrophobicContact CG-CE2 4.46Å; H227-F282 HydrophobicContact CB-CD2 4.39Å; H227-F282 HydrophobicContact CB-CG 4.45Å; H227-F282 AromaticContact CD2-CZ 3.75Å; H227-F282 AromaticContact CE1-CE2 3.17Å; H227-F282 WeakPolarHBondContact CE1-CE2 3.25Å; H227-F282 AromaticContact CE1-CZ 3.39Å; H227-F282 WeakPolarHBondContact CE1-CZ 3.37Å; H227-F282 AromaticContact CG-CD2 3.95Å; H227-F282 AromaticContact CG-CE2 3.73Å; H227-F282 AromaticContact CG-CZ 3.88Å; H227-F282 AromaticContact ND1-CD2 3.54Å; H227-F282 AromaticContact ND1-CE2 3.14Å; H227-F282 WeakPolarHBondContact ND1-CE2 3.44Å; H227-F282 AromaticContact ND1-CZ 3.66Å; H227-F282 AromaticContact NE2-CE2 3.73Å; H227-F282 AromaticContact NE2-CZ 3.45Å; H227-F282 WeakPolarHBondContact NE2-CZ 3.22Å
283	P	53.8	Low	62.3	Low	46 Å²	46	94 Å²	94	30%	0.299	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-69.6	151.7	171.5	30	-33.1	0	0	0	110.7	R192	R192-P283 HydrophobicContact CG-CG 3.84Å
284	P	49.6	Very low	60.8	Low	114 Å²	114	92.8 Å²	92.8	74%	0.74	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-59.4	148.1	168.5	25.9	-32.2	0	0	0	110.3	Q286	P284-Q286 PolarHBondContact O-N 3.28Å
285	I	46.2	Very low	59.7	Low	34 Å²	34	86.4 Å²	86.4	17%	0.174	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-63	124.3	166.3	-58.3	-154.1	0	0	0	106.8	V181 K189 F198 L226 R228	V181-I285 HydrophobicContact CG1-CD1 4.35Å; K189-I285 HydrophobicContact CD-CG2 4.35Å; F198-I285 HydrophobicContact CB-CD1 4.11Å; F198-I285 HydrophobicContact CD1-CD1 3.91Å; F198-I285 HydrophobicContact CD1-CG1 4.45Å; F198-I285 HydrophobicContact CD2-CD1 3.7Å; F198-I285 HydrophobicContact CD2-CG1 3.96Å; F198-I285 HydrophobicContact CD2-CG2 4.38Å; F198-I285 HydrophobicContact CE1-CD1 4.18Å; F198-I285 HydrophobicContact CE1-CG1 4.25Å; F198-I285 HydrophobicContact CE2-CB 4.39Å; F198-I285 HydrophobicContact CE2-CD1 4Å; F198-I285 HydrophobicContact CE2-CG1 3.73Å; F198-I285 HydrophobicContact CG-CD1 3.64Å; F198-I285 HydrophobicContact CG-CG1 4.31Å; F198-I285 HydrophobicContact CZ-CD1 4.22Å; F198-I285 HydrophobicContact CZ-CG1 3.87Å; L226-I285 HydrophobicContact CD2-CD1 4.22Å; R228-I285 VanDerWaalsContact NH2-CG1 3.33Å
286	Q	41	Very low	57.9	Low	246 Å²	246	90.8 Å²	90.8	100%	1.15	54%	0.543	S	S	*	.			trans	-71.5	0	173.5	-70.8	-173	-7.6	0	0	111.3	P284	P284-Q286 PolarHBondContact O-N 3.28Å

Retrieved 286 of 286 residues in 241.6 ms (Link to these results)

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