A0A3Q0KEH2_SCHMA Loading...

Adenosine deaminase

AlphaFold DB , UniProt , Accession A0A3Q0KEH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 348 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	84.1	Confident	90.5	Very high	61 Å²	61	44.8 Å²	44.8	30%	0.3	23%	0.227	S	C	.	.				0	127.4	0	-163	173.7	-81.5	0	0	110.5	L3 Y96 E134 V325 E329 F332 L333	M1-L3 HydrophobicContact CG-CD1 4.26Å; M1-L3 HydrophobicContact CG-CD2 3.64Å; M1-L3 HydrophobicContact CG-CG 3.81Å; M1-L3 HydrophobicContact SD-CD1 3.84Å; M1-L3 HydrophobicContact SD-CD2 3.76Å; M1-L3 HydrophobicContact SD-CG 4.01Å; M1-Y96 HydrophobicContact CE-CD2 4.15Å; M1-Y96 HydrophobicContact CE-CE2 4.26Å; M1-E134 WeakPolarHBondContact CA-OE2 3.44Å; M1-E134 HydrophobicContact CE-CG 4.41Å; M1-E134 HydrophobicContact CG-CB 3.84Å; M1-E134 HydrophobicContact CG-CG 3.82Å; M1-V325 HydrophobicContact CE-CG1 4.03Å; M1-E329 HydrophobicContact CE-CB 3.59Å; M1-E329 HydrophobicContact CE-CG 3.96Å; M1-F332 HydrophobicContact CB-CD1 3.92Å; M1-F332 HydrophobicContact CB-CE1 4.13Å; M1-F332 HydrophobicContact CG-CD1 4.3Å; M1-F332 HydrophobicContact SD-CD1 3.99Å; M1-L333 HydrophobicContact CE-CB 4.5Å; M1-L333 HydrophobicContact SD-CB 4Å; M1-L333 HydrophobicContact SD-CD1 4.24Å
2	R	84.8	Confident	91.2	Very high	91 Å²	91	41.1 Å²	41.1	34%	0.343	21%	0.208	S	C	.	.			trans	-107	109.8	178.3	-56.8	169.6	-171.7	135.5	-3.3	108.2	N125 S128 E129 K132 I133 E134	R2-N125 PolarHBondContact NH1-OD1 3.37Å; R2-S128 PolarHBondContact NH1-OG 2.98Å; R2-E129 IonicContact CZ-OE1 2.75Å; R2-E129 IonicContact NH1-OE1 3.48Å; R2-E129 IonicContact NH2-OE1 3.52Å; R2-E129 PolarHBondContact NH2-OE1 2.85Å; R2-K132 CarbonylContact C-O 3.25Å; R2-K132 VanDerWaalsContact C-O 3.25Å; R2-K132 CarbonylContact O-C 3.59Å; R2-I133 CarbonylContact O-C 3.56Å; R2-I133 WeakPolarHBondContact O-CA 3.23Å; R2-E134 PolarHBondContact N-OE2 3.46Å; R2-E134 PolarHBondContact O-N 3.13Å
3	L	88	Confident	91.8	Very high	22 Å²	22	37.9 Å²	37.9	12%	0.115	19%	0.192	C	C	.	.			trans	-118.8	126.9	-176.5	-57.1	179.3	0	0	0	110.8	M1 C95 K132 E134 F332 L333 H336	M1-L3 HydrophobicContact CG-CD1 4.26Å; M1-L3 HydrophobicContact CG-CD2 3.64Å; M1-L3 HydrophobicContact CG-CG 3.81Å; M1-L3 HydrophobicContact SD-CD1 3.84Å; M1-L3 HydrophobicContact SD-CD2 3.76Å; M1-L3 HydrophobicContact SD-CG 4.01Å; L3-C95 HydrophobicContact CB-CB 4.44Å; L3-C95 HydrophobicContact CD2-CB 4.06Å; L3-C95 WeakPolarHBondContact CD2-O 3.33Å; L3-K132 CarbonylContact C-O 3.25Å; L3-K132 VanDerWaalsContact C-O 3.25Å; L3-K132 WeakPolarHBondContact CA-O 3.41Å; L3-K132 PolarHBondContact N-O 3.06Å; L3-E134 HydrophobicContact CD2-CB 4.21Å; L3-F332 HydrophobicContact CD1-CD1 3.7Å; L3-F332 HydrophobicContact CD1-CE1 3.53Å; L3-F332 HydrophobicContact CG-CD1 4.41Å; L3-F332 HydrophobicContact CG-CE1 3.92Å; L3-L333 HydrophobicContact CD1-CD1 4Å; L3-L333 HydrophobicContact CD2-CD1 4.1Å; L3-H336 WeakPolarHBondContact CB-CE1 3.31Å; L3-H336 WeakPolarHBondContact CB-ND1 3.3Å; L3-H336 HydrophobicContact CD1-CB 3.46Å; L3-H336 VanDerWaalsContact CD1-CB 3.46Å; L3-H336 VanDerWaalsContact CD1-CG 3.42Å
4	P	86.2	Confident	92.3	Very high	14 Å²	14	35.3 Å²	35.3	9%	0.091	18%	0.179	C	C	.	.			trans	-69.2	142.4	-177.3	-7.2	21.4	0	0	0	110.2	D6 S7 K132 I133 H336	P4-D6 PolarHBondContact O-N 3.4Å; P4-S7 PolarHBondContact O-N 3.32Å; P4-S7 VanDerWaalsContact O-O 3.14Å; P4-K132 WeakPolarHBondContact CD-O 3.46Å; P4-K132 VanDerWaalsContact CG-O 3.25Å; P4-K132 WeakPolarHBondContact CG-O 3.31Å; P4-I133 HydrophobicContact CG-CB 4.26Å; P4-H336 PolarHBondContact O-CE1 3.45Å; P4-H336 PolarHBondContact O-NE2 3.33Å
5	L	85.3	Confident	92.7	Very high	128 Å²	128	34.1 Å²	34.1	67%	0.67	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-27.9	-178.4	-62.5	-179.3	0	0	0	113	R340	L5-R340 WeakPolarHBondContact O-CD 3.35Å; L5-R340 PolarHBondContact O-NE 3.14Å
6	D	86.9	Confident	93.1	Very high	120 Å²	120	32.1 Å²	32.1	64%	0.642	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-2	-175.1	-60.7	-49.5	0	0	0	114.1	P4 R344	P4-D6 PolarHBondContact O-N 3.4Å; D6-R344 PolarHBondContact O-NH1 3.11Å; D6-R344 PolarHBondContact O-NH2 2.66Å; D6-R344 VanDerWaalsContact O-NH2 3.09Å
7	S	92.1	Very high	93.4	Very high	9 Å²	9	30.8 Å²	30.8	6%	0.063	16%	0.156	C	C	.	.			trans	-120.2	147.1	-176.6	-61.2	0	0	0	0	111.2	P4 G93 L94 H336	P4-S7 PolarHBondContact O-N 3.32Å; P4-S7 VanDerWaalsContact O-O 3.14Å; S7-G93 VanDerWaalsContact CB-O 3.29Å; S7-G93 WeakPolarHBondContact CB-O 3.36Å; S7-L94 WeakPolarHBondContact CB-O 3.46Å; S7-H336 PolarHBondContact O-NE2 2.91Å
8	Y	94.3	Very high	93.6	Very high	33 Å²	33	29.1 Å²	29.1	13%	0.129	15%	0.147	C	C	.	.			trans	-147	-4.9	179.9	69.9	-88.9	0	0	0	113.6	G93 N316 I337 R340	Y8-G93 PolarHBondContact N-O 3.47Å; Y8-N316 PolarHBondContact O-ND2 3.06Å; Y8-I337 VanDerWaalsContact O-CG2 3.28Å; Y8-I337 WeakPolarHBondContact O-CG2 3.49Å; Y8-R340 HydrophobicContact CD1-CB 4.47Å; Y8-R340 HydrophobicContact CG-CB 4.39Å
9	G	96.8	Very high	93.9	Very high	12 Å²	12	27.8 Å²	27.8	12%	0.124	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	153.1	178.3	0	0	0	0	0	111.4	G93 L94 C95	G9-G93 PolarHBondContact N-O 3.3Å; G9-L94 VanDerWaalsContact C-CD2 3.43Å; G9-L94 CarbonylContact O-C 3.52Å; G9-L94 WeakPolarHBondContact O-CA 3.31Å; G9-C95 PolarHBondContact O-N 3.31Å; G9-C95 PolarHBondContact O-SG 2.88Å
10	I	98.6	Very high	94.1	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.015	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.2	175.4	-64.2	174.6	0	0	0	107.4	L12 Y96 N316 A319 A320 L333 I337	I10-L12 HydrophobicContact CG2-CD2 3.73Å; I10-L12 HydrophobicContact CG2-CG 4.05Å; I10-Y96 WeakPolarHBondContact CA-O 3.43Å; I10-Y96 HydrophobicContact CG2-CD1 3.95Å; I10-N316 PolarHBondContact N-OD1 3.49Å; I10-A319 HydrophobicContact CB-CB 3.91Å; I10-A319 HydrophobicContact CG2-CB 3.57Å; I10-A320 HydrophobicContact CD1-CB 3.51Å; I10-L333 HydrophobicContact CD1-CD1 3.99Å; I10-L333 HydrophobicContact CD1-CD2 3.84Å; I10-L333 HydrophobicContact CD1-CG 3.89Å; I10-L333 HydrophobicContact CG1-CD1 4.43Å; I10-I337 HydrophobicContact CD1-CD1 4.47Å; I10-I337 HydrophobicContact CD1-CG2 4.1Å
11	D	98.8	Very high	94.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.3	170.8	-162.6	-43.7	0	0	0	109.2	H13 L94 Y96 V97 E98 N283 T284 N294	D11-H13 WeakPolarHBondContact OD1-CA 3.35Å; D11-H13 PolarHBondContact OD1-N 3.07Å; D11-H13 VanDerWaalsContact OD1-O 3.1Å; D11-L94 HydrophobicContact CB-CD1 3.74Å; D11-L94 HydrophobicContact CB-CD2 4.05Å; D11-Y96 PolarHBondContact N-O 2.72Å; D11-V97 HydrophobicContact CB-CG2 4.26Å; D11-V97 CarbonylContact O-C 3.59Å; D11-V97 VanDerWaalsContact O-CA 3.26Å; D11-V97 WeakPolarHBondContact O-CA 3.3Å; D11-E98 PolarHBondContact O-N 3.32Å; D11-N283 WeakPolarHBondContact OD1-CB 3.43Å; D11-N283 PolarHBondContact OD1-OD1 3.49Å; D11-T284 PolarHBondContact OD2-N 2.79Å; D11-T284 PolarHBondContact OD2-OG1 3.29Å; D11-N294 WeakPolarHBondContact CB-ND2 3.4Å; D11-N294 PolarHBondContact OD2-ND2 3.02Å
12	L	98.9	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-6	178.4	-59.1	-175.9	0	0	0	112.5	I10 Y96 E98 R100 E248 N283 A319 A322 A323	I10-L12 HydrophobicContact CG2-CD2 3.73Å; I10-L12 HydrophobicContact CG2-CG 4.05Å; L12-Y96 HydrophobicContact CD2-CD1 4.29Å; L12-Y96 HydrophobicContact CD2-CE1 3.88Å; L12-E98 HydrophobicContact CD2-CG 4.14Å; L12-R100 PolarHBondContact O-NH2 3.05Å; L12-E248 HydrophobicContact CB-CG 4.47Å; L12-N283 PolarHBondContact N-OD1 2.84Å; L12-A319 HydrophobicContact CD1-CB 4.04Å; L12-A319 HydrophobicContact CG-CB 4.2Å; L12-A322 HydrophobicContact CD1-CB 4.15Å; L12-A323 HydrophobicContact CD2-CB 4.17Å
13	H	98.9	Very high	95.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	85	-171.7	-168	140.6	0	0	0	110.7	D11 H15 R100 H202 H226 E248 N283 D285	D11-H13 WeakPolarHBondContact OD1-CA 3.35Å; D11-H13 PolarHBondContact OD1-N 3.07Å; D11-H13 VanDerWaalsContact OD1-O 3.1Å; H13-H15 AromaticContact NE2-NE2 3.71Å; H13-R100 PolarHBondContact CE1-NH1 3.49Å; H13-R100 VanDerWaalsContact CG-CZ 3.46Å; H13-R100 VanDerWaalsContact CG-NH1 3.32Å; H13-R100 PolarHBondContact ND1-NH1 3.45Å; H13-R100 PolarHBondContact NE2-NH1 3.03Å; H13-H202 AromaticContact CD2-NE2 4Å; H13-H202 AromaticContact CE1-CD2 3.35Å; H13-H202 PolarHBondContact CE1-CD2 2.89Å; H13-H202 AromaticContact CE1-NE2 3.22Å; H13-H202 PolarHBondContact CE1-NE2 3.3Å; H13-H202 AromaticContact NE2-CD2 3.41Å; H13-H202 PolarHBondContact NE2-CD2 3.03Å; H13-H202 AromaticContact NE2-NE2 2.97Å; H13-H202 PolarHBondContact NE2-NE2 3.23Å; H13-H226 AromaticContact CE1-CD2 3.84Å; H13-H226 AromaticContact CE1-NE2 3.47Å; H13-H226 PolarHBondContact CE1-NE2 2.94Å; H13-H226 AromaticContact NE2-NE2 3.6Å; H13-E248 HydrophobicContact CB-CB 3.83Å; H13-E248 HydrophobicContact CB-CG 4.34Å; H13-E248 IonicContact CE1-OE2 3.28Å; H13-E248 IonicContact CG-OE2 3.56Å; H13-E248 IonicContact ND1-OE2 3.55Å; H13-E248 PolarHBondContact ND1-OE2 3.2Å; H13-N283 HydrophobicContact CB-CB 3.63Å; H13-N283 PolarHBondContact N-OD1 3.36Å; H13-N283 WeakPolarHBondContact O-CB 3.11Å; H13-D285 IonicContact CD2-OD1 2.85Å; H13-D285 PolarHBondContact CD2-OD1 2.89Å; H13-D285 IonicContact NE2-OD1 2.63Å; H13-D285 PolarHBondContact NE2-OD1 2.94Å; H13-D285 WeakPolarHBondContact O-CA 3.14Å; H13-D285 PolarHBondContact O-N 3.13Å
14	V	98.8	Very high	96	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	124.8	172.1	59.2	0	0	0	0	111	A19 F84 V97 T99 R100 T284 D285 P287	V14-A19 HydrophobicContact CG2-CB 4.23Å; V14-F84 HydrophobicContact CG1-CE2 4.14Å; V14-F84 HydrophobicContact CG1-CZ 3.89Å; V14-F84 HydrophobicContact CG2-CE2 3.88Å; V14-F84 HydrophobicContact CG2-CZ 4.47Å; V14-V97 HydrophobicContact CG1-CG2 3.44Å; V14-V97 VanDerWaalsContact CG1-CG2 3.44Å; V14-T99 CarbonylContact O-C 3.54Å; V14-T99 VanDerWaalsContact O-CA 3.28Å; V14-T99 WeakPolarHBondContact O-CA 3.44Å; V14-T99 PolarHBondContact O-OG1 3.16Å; V14-T99 VanDerWaalsContact O-OG1 3.11Å; V14-R100 PolarHBondContact O-N 3.48Å; V14-T284 WeakPolarHBondContact CG2-OG1 3.41Å; V14-D285 CarbonylContact C-O 3.58Å; V14-D285 VanDerWaalsContact CA-O 3.3Å; V14-D285 WeakPolarHBondContact CA-O 3.01Å; V14-P287 HydrophobicContact CG2-CG 4.18Å
15	H	98.7	Very high	96.5	Very high	18 Å²	18	23.8 Å²	23.8	8%	0.083	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.9	176.3	-64.3	-93.7	0	0	0	110	H13 D17 G18 A19 R100 H202 D285 D286	H13-H15 AromaticContact NE2-NE2 3.71Å; H15-D17 VanDerWaalsContact C-N 3.34Å; H15-G18 CarbonylContact O-C 3.14Å; H15-G18 WeakPolarHBondContact O-CA 3.45Å; H15-G18 PolarHBondContact O-N 3.44Å; H15-A19 WeakPolarHBondContact O-CB 3.33Å; H15-A19 PolarHBondContact O-N 2.87Å; H15-A19 VanDerWaalsContact O-N 3.12Å; H15-R100 CarbonylContact C-O 3.44Å; H15-R100 VanDerWaalsContact CA-O 3.3Å; H15-R100 WeakPolarHBondContact CA-O 3.28Å; H15-R100 HydrophobicContact CB-CG 4.39Å; H15-R100 VanDerWaalsContact CE1-CD 3.43Å; H15-R100 WeakPolarHBondContact CE1-CD 3.43Å; H15-R100 WeakPolarHBondContact ND1-CG 3.29Å; H15-H202 AromaticContact CE1-CE1 3.64Å; H15-H202 AromaticContact CE1-NE2 3.25Å; H15-H202 PolarHBondContact CE1-NE2 3.14Å; H15-H202 AromaticContact NE2-CE1 3.89Å; H15-H202 AromaticContact NE2-NE2 3.07Å; H15-H202 PolarHBondContact NE2-NE2 2.96Å; H15-D285 IonicContact CD2-OD1 3.21Å; H15-D285 PolarHBondContact CD2-OD1 3.04Å; H15-D285 PolarHBondContact N-O 3.26Å; H15-D285 IonicContact NE2-OD1 2.73Å; H15-D285 PolarHBondContact NE2-OD1 2.88Å; H15-D286 WeakPolarHBondContact CB-OD1 3.3Å; H15-D286 IonicContact CD2-OD1 2.73Å; H15-D286 IonicContact CD2-OD2 3.73Å; H15-D286 IonicContact CG-OD1 3.57Å
16	L	98.8	Very high	97.1	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	10%	0.1	C	C	.	.	S	Bend	trans	-63.7	-43.2	179.4	179.4	61.4	0	0	0	111	G18 A19 F84 T99 R100 Y101 I120	L16-G18 PolarHBondContact O-N 3.29Å; L16-A19 PolarHBondContact O-N 3.32Å; L16-F84 HydrophobicContact CD1-CB 3.78Å; L16-F84 HydrophobicContact CD1-CD1 3.8Å; L16-F84 HydrophobicContact CD1-CD2 4.01Å; L16-F84 HydrophobicContact CD1-CE1 4.42Å; L16-F84 HydrophobicContact CD1-CG 3.58Å; L16-T99 WeakPolarHBondContact CB-OG1 3.29Å; L16-T99 PolarHBondContact N-OG1 3.48Å; L16-R100 PolarHBondContact N-O 3.47Å; L16-Y101 HydrophobicContact CB-CD1 3.9Å; L16-Y101 HydrophobicContact CB-CG 4.43Å; L16-Y101 HydrophobicContact CD2-CD1 3.85Å; L16-Y101 HydrophobicContact CD2-CE1 4.15Å; L16-Y101 HydrophobicContact CD2-CG 4.39Å; L16-I120 HydrophobicContact CD2-CD1 4.17Å; L16-I120 HydrophobicContact CD2-CG1 4.38Å; L16-I120 HydrophobicContact CD2-CG2 3.79Å
17	D	97.2	Very high	97.5	Very high	10 Å²	10	18.5 Å²	18.5	5%	0.053	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-22.1	172.6	48.1	-25.4	0	0	0	112.7	H15 F63 I67	H15-D17 VanDerWaalsContact C-N 3.34Å; D17-F63 HydrophobicContact CB-CD1 4.35Å; D17-F63 HydrophobicContact CB-CE1 4.04Å; D17-I67 HydrophobicContact CB-CD1 4.14Å
18	G	97.8	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.7	170.2	0	0	0	0	0	116.3	H15 L16 D286 P287 T288	H15-G18 CarbonylContact O-C 3.14Å; H15-G18 WeakPolarHBondContact O-CA 3.45Å; H15-G18 PolarHBondContact O-N 3.44Å; L16-G18 PolarHBondContact O-N 3.29Å; G18-D286 WeakPolarHBondContact CA-OD1 3.44Å; G18-D286 CarbonylContact O-C 3.31Å; G18-D286 WeakPolarHBondContact O-CA 3.45Å; G18-P287 WeakPolarHBondContact O-CD 3.24Å; G18-T288 WeakPolarHBondContact O-CB 3.42Å; G18-T288 PolarHBondContact O-N 2.53Å; G18-T288 PolarHBondContact O-OG1 3.02Å
19	A	98.6	Very high	97.6	Very high	4 Å²	4	17 Å²	17	3%	0.033	8%	0.083	C	C	.	.	S	Bend	trans	-120.7	16.7	-169	0	0	0	0	0	114.3	V14 H15 L16 F84 P287 T288 W293	V14-A19 HydrophobicContact CG2-CB 4.23Å; H15-A19 WeakPolarHBondContact O-CB 3.33Å; H15-A19 PolarHBondContact O-N 2.87Å; H15-A19 VanDerWaalsContact O-N 3.12Å; L16-A19 PolarHBondContact O-N 3.32Å; A19-F84 HydrophobicContact CB-CD2 3.52Å; A19-F84 HydrophobicContact CB-CE2 3.82Å; A19-P287 HydrophobicContact CB-CG 3.65Å; A19-T288 VanDerWaalsContact CA-OG1 3.24Å; A19-T288 WeakPolarHBondContact CA-OG1 3.43Å; A19-T288 PolarHBondContact N-OG1 3.37Å; A19-W293 HydrophobicContact CB-CH2 3.94Å; A19-W293 HydrophobicContact CB-CZ2 4.11Å
20	I	98.5	Very high	97.3	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.021	10%	0.096	C	C	.	.			trans	-81.1	128.9	-179.4	-48.6	179.8	0	0	0	111.1	T24 L25 I66 V70 I80 T288	I20-T24 HydrophobicContact CG2-CG2 4.37Å; I20-L25 HydrophobicContact CB-CD1 4.28Å; I20-L25 HydrophobicContact CB-CD2 4.29Å; I20-L25 HydrophobicContact CB-CG 4.23Å; I20-L25 HydrophobicContact CD1-CD2 4.32Å; I20-L25 HydrophobicContact CG2-CD1 4.33Å; I20-L25 HydrophobicContact CG2-CD2 3.81Å; I20-L25 HydrophobicContact CG2-CG 3.74Å; I20-I66 HydrophobicContact CD1-CG2 3.73Å; I20-V70 HydrophobicContact CD1-CG1 3.93Å; I20-I80 HydrophobicContact CD1-CD1 3.65Å; I20-I80 HydrophobicContact CD1-CG2 4.26Å; I20-I80 HydrophobicContact CG1-CB 4.3Å; I20-I80 HydrophobicContact CG1-CD1 4.11Å; I20-I80 HydrophobicContact CG1-CG2 4.33Å; I20-I80 HydrophobicContact CG2-CB 4.34Å; I20-I80 HydrophobicContact CG2-CG2 3.66Å; I20-T288 PolarHBondContact N-OG1 3.22Å; I20-T288 WeakPolarHBondContact O-CG2 3.37Å; I20-T288 PolarHBondContact O-OG1 3.2Å
21	R	98.1	Very high	96.6	Very high	55 Å²	55	25.8 Å²	25.8	21%	0.208	13%	0.127	C	C	.	.			trans	-54.9	127.7	177.4	-65.3	177.7	179	160.9	1.3	111.2	E23 T24 L25 E86 D87	R21-E23 PolarHBondContact O-N 2.73Å; R21-E23 VanDerWaalsContact O-N 3.15Å; R21-T24 WeakPolarHBondContact O-CB 3.07Å; R21-T24 PolarHBondContact O-N 3.02Å; R21-L25 PolarHBondContact O-N 2.78Å; R21-E86 IonicContact CZ-OE2 2.8Å; R21-E86 IonicContact NH1-OE2 2.73Å; R21-E86 PolarHBondContact NH1-OE2 3.36Å; R21-E86 IonicContact NH2-OE2 3.21Å; R21-E86 PolarHBondContact NH2-OE2 2.95Å; R21-D87 IonicContact CZ-OD1 3.74Å; R21-D87 IonicContact CZ-OD2 3.33Å; R21-D87 IonicContact NE-OD1 3.86Å; R21-D87 PolarHBondContact NE-OD1 3.42Å; R21-D87 IonicContact NE-OD2 3.79Å; R21-D87 PolarHBondContact NE-OD2 2.9Å; R21-D87 IonicContact NH2-OD1 3.82Å; R21-D87 PolarHBondContact NH2-OD1 3.14Å; R21-D87 IonicContact NH2-OD2 2.72Å
22	P	97.7	Very high	95.3	Very high	21 Å²	21	28.7 Å²	28.7	14%	0.136	14%	0.141	C	C	.	.	H	α-helix	trans	-54.4	-33.3	175.5	-28.9	36.2	0	0	0	113.4	L25 F26 L41 L44 K45 L48 T288	P22-L25 PolarHBondContact O-N 3.17Å; P22-F26 WeakPolarHBondContact O-CB 3.25Å; P22-F26 PolarHBondContact O-N 3.35Å; P22-L41 HydrophobicContact CB-CD1 4.03Å; P22-L41 WeakPolarHBondContact O-CD1 3.4Å; P22-L44 HydrophobicContact CB-CD2 4.03Å; P22-K45 HydrophobicContact CB-CD 4.46Å; P22-K45 HydrophobicContact CB-CG 3.87Å; P22-K45 HydrophobicContact CG-CG 4.38Å; P22-L48 HydrophobicContact CB-CD1 4.44Å; P22-L48 HydrophobicContact CG-CD1 4.45Å; P22-T288 HydrophobicContact CG-CG2 4.04Å
23	E	97.6	Very high	93.8	Very high	77 Å²	77	39.1 Å²	39.1	36%	0.36	19%	0.186	S	C	.	.	H	α-helix	trans	-61.9	-45.2	175.8	-63.8	70.1	-152.9	0	0	111.2	R21 F26 E27 L41 K45	R21-E23 PolarHBondContact O-N 2.73Å; R21-E23 VanDerWaalsContact O-N 3.15Å; E23-F26 PolarHBondContact O-N 2.91Å; E23-E27 WeakPolarHBondContact O-CG 3.49Å; E23-E27 PolarHBondContact O-N 2.84Å; E23-L41 HydrophobicContact CG-CD2 3.92Å; E23-K45 IonicContact OE1-NZ 2.66Å; E23-K45 PolarHBondContact OE1-NZ 3.23Å; E23-K45 VanDerWaalsContact OE1-NZ 3.14Å
24	T	98	Very high	92	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-43.3	175.4	-62.5	0	0	0	0	111.3	I20 R21 F26 E27 L28 R79 I80 E83	I20-T24 HydrophobicContact CG2-CG2 4.37Å; R21-T24 WeakPolarHBondContact O-CB 3.07Å; R21-T24 PolarHBondContact O-N 3.02Å; T24-F26 VanDerWaalsContact C-N 3.31Å; T24-F26 PolarHBondContact O-N 3.09Å; T24-E27 PolarHBondContact O-N 2.75Å; T24-L28 HydrophobicContact CG2-CD1 3.92Å; T24-L28 HydrophobicContact CG2-CG 4.4Å; T24-L28 WeakPolarHBondContact O-CB 3.39Å; T24-L28 WeakPolarHBondContact O-CD1 3.4Å; T24-L28 WeakPolarHBondContact O-CG 3.28Å; T24-L28 PolarHBondContact O-N 3.23Å; T24-R79 PolarHBondContact OG1-NH2 2.99Å; T24-R79 VanDerWaalsContact OG1-NH2 3.11Å; T24-I80 HydrophobicContact CG2-CG2 4.26Å; T24-E83 WeakPolarHBondContact CB-OE2 3.45Å; T24-E83 PolarHBondContact OG1-OE1 2.9Å; T24-E83 PolarHBondContact OG1-OE2 2.55Å
25	L	97.3	Very high	90.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-39.5	175.5	-67	170.3	0	0	0	111.9	I20 R21 P22 L28 S29 L44 L48 I66 L69 V70	I20-L25 HydrophobicContact CB-CD1 4.28Å; I20-L25 HydrophobicContact CB-CD2 4.29Å; I20-L25 HydrophobicContact CB-CG 4.23Å; I20-L25 HydrophobicContact CD1-CD2 4.32Å; I20-L25 HydrophobicContact CG2-CD1 4.33Å; I20-L25 HydrophobicContact CG2-CD2 3.81Å; I20-L25 HydrophobicContact CG2-CG 3.74Å; R21-L25 PolarHBondContact O-N 2.78Å; P22-L25 PolarHBondContact O-N 3.17Å; L25-L28 PolarHBondContact O-N 3.08Å; L25-S29 WeakPolarHBondContact O-CB 3.49Å; L25-S29 PolarHBondContact O-N 3.09Å; L25-L44 HydrophobicContact CB-CD1 3.93Å; L25-L44 HydrophobicContact CB-CD2 4.25Å; L25-L48 HydrophobicContact CD1-CD1 3.64Å; L25-L48 HydrophobicContact CD1-CD2 4.46Å; L25-I66 HydrophobicContact CD1-CG1 3.97Å; L25-I66 HydrophobicContact CD2-CG2 4.18Å; L25-L69 HydrophobicContact CB-CD1 4.23Å; L25-L69 HydrophobicContact CD2-CB 4.43Å; L25-L69 HydrophobicContact CD2-CD1 4.07Å; L25-V70 HydrophobicContact CD2-CG1 4.43Å
26	F	96.5	Very high	89.8	Confident	44 Å²	44	54.7 Å²	54.7	19%	0.193	28%	0.275	C	S	.	.	H	α-helix	trans	-66.2	-44.8	177.5	-177.9	-111.9	0	0	0	112	P22 E23 T24 L28 S29 N30 F38 L41 L44	P22-F26 WeakPolarHBondContact O-CB 3.25Å; P22-F26 PolarHBondContact O-N 3.35Å; E23-F26 PolarHBondContact O-N 2.91Å; T24-F26 VanDerWaalsContact C-N 3.31Å; T24-F26 PolarHBondContact O-N 3.09Å; F26-L28 PolarHBondContact O-N 3.35Å; F26-S29 PolarHBondContact O-N 3.44Å; F26-S29 PolarHBondContact O-OG 3.45Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.24Å; F26-N30 VanDerWaalsContact CZ-ND2 3.32Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.35Å; F26-N30 PolarHBondContact O-N 3.49Å; F26-N30 PolarHBondContact O-ND2 3.45Å; F26-N30 VanDerWaalsContact O-ND2 3.1Å; F26-F38 HydrophobicContact CD2-CB 4.29Å; F26-F38 HydrophobicContact CE2-CB 4.18Å; F26-L41 HydrophobicContact CB-CD1 3.79Å; F26-L41 HydrophobicContact CD1-CB 4.37Å; F26-L41 HydrophobicContact CG-CB 4.35Å; F26-L41 HydrophobicContact CG-CD1 4.3Å; F26-L44 HydrophobicContact CB-CD1 4.01Å; F26-L44 HydrophobicContact CD2-CD1 4.46Å
27	E	95.6	Very high	89.1	Confident	93 Å²	93	57.4 Å²	57.4	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-55.6	-51.1	172.8	-72.1	173.1	-166.2	0	0	111.5	E23 T24 S29 N30 D31 R79	E23-E27 WeakPolarHBondContact O-CG 3.49Å; E23-E27 PolarHBondContact O-N 2.84Å; T24-E27 PolarHBondContact O-N 2.75Å; E27-S29 PolarHBondContact O-N 3.3Å; E27-N30 PolarHBondContact O-N 3.33Å; E27-D31 PolarHBondContact O-N 3.18Å; E27-R79 IonicContact OE1-NH2 2.78Å; E27-R79 IonicContact OE2-CZ 2.83Å; E27-R79 IonicContact OE2-NH1 3.6Å; E27-R79 PolarHBondContact OE2-NH1 3Å; E27-R79 IonicContact OE2-NH2 3.26Å; E27-R79 PolarHBondContact OE2-NH2 2.89Å
28	L	95	Very high	88.8	Confident	9 Å²	9	57.9 Å²	57.9	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-30	179.3	-66.6	168.6	0	0	0	113.3	T24 L25 F26 N30 L69 V70 V76	T24-L28 HydrophobicContact CG2-CD1 3.92Å; T24-L28 HydrophobicContact CG2-CG 4.4Å; T24-L28 WeakPolarHBondContact O-CB 3.39Å; T24-L28 WeakPolarHBondContact O-CD1 3.4Å; T24-L28 WeakPolarHBondContact O-CG 3.28Å; T24-L28 PolarHBondContact O-N 3.23Å; L25-L28 PolarHBondContact O-N 3.08Å; F26-L28 PolarHBondContact O-N 3.35Å; L28-N30 VanDerWaalsContact C-N 3.32Å; L28-L69 HydrophobicContact CB-CB 4.5Å; L28-V70 HydrophobicContact CD1-CG1 4.2Å; L28-V76 HydrophobicContact CD1-CG1 3.45Å; L28-V76 VanDerWaalsContact CD1-CG1 3.45Å; L28-V76 HydrophobicContact CD2-CB 4.29Å; L28-V76 HydrophobicContact CD2-CG1 3.76Å; L28-V76 HydrophobicContact CD2-CG2 3.51Å; L28-V76 HydrophobicContact CG-CG1 4.26Å
29	S	94	Very high	88.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-70.8	-28.8	176.8	81.9	0	0	0	0	112.7	L25 F26 E27	L25-S29 WeakPolarHBondContact O-CB 3.49Å; L25-S29 PolarHBondContact O-N 3.09Å; F26-S29 PolarHBondContact O-N 3.44Å; F26-S29 PolarHBondContact O-OG 3.45Å; E27-S29 PolarHBondContact O-N 3.3Å
30	N	89.8	Confident	88.3	Confident	74 Å²	74	68.2 Å²	68.2	40%	0.396	34%	0.342	S	S	.	.	H	α-helix	trans	-84.1	-22.7	179.1	-69.7	-42.9	0	0	0	112.9	F26 E27 L28 Q32	F26-N30 WeakPolarHBondContact CE1-ND2 3.24Å; F26-N30 VanDerWaalsContact CZ-ND2 3.32Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.35Å; F26-N30 PolarHBondContact O-N 3.49Å; F26-N30 PolarHBondContact O-ND2 3.45Å; F26-N30 VanDerWaalsContact O-ND2 3.1Å; E27-N30 PolarHBondContact O-N 3.33Å; L28-N30 VanDerWaalsContact C-N 3.32Å; N30-Q32 PolarHBondContact O-N 3.32Å
31	D	83.6	Confident	88.1	Confident	126 Å²	126	69.9 Å²	69.9	67%	0.674	35%	0.35	S	S	*	.	S	Bend	trans	-71.3	-9.7	175	-75	-16.8	0	0	0	113.4	E27 K33	E27-D31 PolarHBondContact O-N 3.18Å; D31-K33 PolarHBondContact O-N 2.83Å; D31-K33 VanDerWaalsContact O-N 3.1Å
32	Q	72.9	Confident	88	Confident	62 Å²	62	73.4 Å²	73.4	29%	0.29	37%	0.369	S	S	.	.			trans	-72.9	104.2	176	-61.7	-156.7	2.3	0	0	110.8	N30 S34 K35 L37	N30-Q32 PolarHBondContact O-N 3.32Å; Q32-S34 PolarHBondContact O-N 3.29Å; Q32-K35 PolarHBondContact O-N 2.92Å; Q32-L37 HydrophobicContact CG-CD1 4.49Å
33	K	67.1	Low	87.9	Confident	218 Å²	218	76 Å²	76	95%	0.948	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-15.9	-173	-64.8	-173.5	179	-178.4	0	117.1	D31	D31-K33 PolarHBondContact O-N 2.83Å; D31-K33 VanDerWaalsContact O-N 3.1Å
34	S	60.7	Low	87.8	Confident	117 Å²	117	72.4 Å²	72.4	82%	0.818	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	-9	-168	57	0	0	0	0	116.1	Q32	Q32-S34 PolarHBondContact O-N 3.29Å
35	K	73.5	Confident	87.7	Confident	142 Å²	142	74.3 Å²	74.3	62%	0.617	37%	0.37	S	S	*	.			trans	-158	124.6	-178.6	-166.5	174.7	178.6	-175.5	0	111.9	Q32 L37	Q32-K35 PolarHBondContact O-N 2.92Å; K35-L37 HydrophobicContact CB-CD2 4.48Å; K35-L37 HydrophobicContact CD-CD2 4.18Å; K35-L37 HydrophobicContact CG-CD2 4.33Å; K35-L37 PolarHBondContact O-N 3.21Å; K35-L37 VanDerWaalsContact O-N 3.11Å
36	V	76.8	Confident	87.5	Confident	87 Å²	87	75.8 Å²	75.8	53%	0.527	39%	0.386	S	S	.	.			trans	-65.2	109.8	162.4	178.8	0	0	0	0	107.2	F38	V36-F38 VanDerWaalsContact CG1-O 3.3Å; V36-F38 WeakPolarHBondContact CG1-O 3.35Å
37	L	84.1	Confident	87.4	Confident	59 Å²	59	79.2 Å²	79.2	31%	0.309	40%	0.401	S	S	.	.			trans	-79.4	-36.9	179.9	-66.6	179.5	0	0	0	112	Q32 K35 L69	Q32-L37 HydrophobicContact CG-CD1 4.49Å; K35-L37 HydrophobicContact CB-CD2 4.48Å; K35-L37 HydrophobicContact CD-CD2 4.18Å; K35-L37 HydrophobicContact CG-CD2 4.33Å; K35-L37 PolarHBondContact O-N 3.21Å; K35-L37 VanDerWaalsContact O-N 3.11Å; L37-L69 HydrophobicContact CD1-CD2 3.88Å
38	F	90.8	Very high	87.3	Confident	20 Å²	20	74.9 Å²	74.9	9%	0.088	38%	0.381	C	S	.	.			trans	-138.1	138	-179	-51.9	-74.8	0	0	0	109.6	F26 V36 E43 L44 K47 V65	F26-F38 HydrophobicContact CD2-CB 4.29Å; F26-F38 HydrophobicContact CE2-CB 4.18Å; V36-F38 VanDerWaalsContact CG1-O 3.3Å; V36-F38 WeakPolarHBondContact CG1-O 3.35Å; F38-E43 HydrophobicContact CD1-CG 4.29Å; F38-L44 HydrophobicContact CB-CB 4.27Å; F38-L44 HydrophobicContact CD1-CB 4.18Å; F38-L44 HydrophobicContact CD2-CB 4.14Å; F38-L44 HydrophobicContact CD2-CD1 3.7Å; F38-L44 HydrophobicContact CD2-CG 4.28Å; F38-L44 HydrophobicContact CE2-CD1 3.82Å; F38-L44 HydrophobicContact CE2-CG 4.34Å; F38-L44 HydrophobicContact CG-CB 3.91Å; F38-L44 HydrophobicContact CG-CD1 4.34Å; F38-K47 HydrophobicContact CE1-CB 4.4Å; F38-K47 HydrophobicContact CE1-CG 4.03Å; F38-V65 HydrophobicContact CE2-CG1 4.13Å; F38-V65 HydrophobicContact CZ-CG1 3.57Å
39	Q	91.4	Very high	87.1	Confident	145 Å²	145	78.2 Å²	78.2	68%	0.678	40%	0.397	S	S	*	.	S	Bend	trans	-73.4	-30.5	-179.1	-61.7	-60.1	-49.1	0	0	112.5	E43	Q39-E43 VanDerWaalsContact CB-OE2 3.32Å; Q39-E43 WeakPolarHBondContact CB-OE2 3.4Å; Q39-E43 WeakPolarHBondContact CG-OE2 3.4Å; Q39-E43 PolarHBondContact N-OE2 3.12Å
40	N	94.3	Very high	86.7	Confident	77 Å²	77	79.1 Å²	79.1	41%	0.412	40%	0.403	S	S	.	.	S	Bend	trans	-159.1	171.6	178.4	57.1	62	0	0	0	110.7	E42 E43 L44	N40-E42 VanDerWaalsContact C-N 3.29Å; N40-E42 PolarHBondContact O-N 3.48Å; N40-E42 WeakPolarHBondContact OD1-CB 3.15Å; N40-E42 PolarHBondContact OD1-N 2.73Å; N40-E42 VanDerWaalsContact OD1-N 3.12Å; N40-E43 PolarHBondContact O-N 3.36Å; N40-E43 PolarHBondContact OD1-N 3.01Å; N40-L44 PolarHBondContact O-N 3.13Å
41	L	95.2	Very high	86.5	Confident	39 Å²	39	82 Å²	82	20%	0.204	41%	0.412	C	S	.	.	H	α-helix	trans	-59.4	-36.2	179.9	179.5	60.4	0	0	0	113.2	P22 E23 F26 E43 L44 K45	P22-L41 HydrophobicContact CB-CD1 4.03Å; P22-L41 WeakPolarHBondContact O-CD1 3.4Å; E23-L41 HydrophobicContact CG-CD2 3.92Å; F26-L41 HydrophobicContact CB-CD1 3.79Å; F26-L41 HydrophobicContact CD1-CB 4.37Å; F26-L41 HydrophobicContact CG-CB 4.35Å; F26-L41 HydrophobicContact CG-CD1 4.3Å; L41-E43 PolarHBondContact O-N 3Å; L41-L44 PolarHBondContact O-N 3.01Å; L41-K45 HydrophobicContact CD1-CG 4.34Å; L41-K45 HydrophobicContact CG-CD 4.19Å; L41-K45 HydrophobicContact CG-CG 4.41Å; L41-K45 WeakPolarHBondContact O-CG 3.45Å; L41-K45 PolarHBondContact O-N 3.48Å
42	E	96.3	Very high	86.6	Confident	128 Å²	128	84.6 Å²	84.6	60%	0.598	42%	0.417	S	S	*	.	H	α-helix	trans	-67.3	-36.3	-179.4	-62.5	-57	123.4	0	0	112	N40 L44 K45 G46	N40-E42 VanDerWaalsContact C-N 3.29Å; N40-E42 PolarHBondContact O-N 3.48Å; N40-E42 WeakPolarHBondContact OD1-CB 3.15Å; N40-E42 PolarHBondContact OD1-N 2.73Å; N40-E42 VanDerWaalsContact OD1-N 3.12Å; E42-L44 VanDerWaalsContact C-N 3.35Å; E42-K45 PolarHBondContact O-N 3.24Å; E42-G46 PolarHBondContact O-N 3.46Å
43	E	95.6	Very high	87.2	Confident	77 Å²	77	86.9 Å²	86.9	36%	0.36	44%	0.438	S	S	.	.	H	α-helix	trans	-62.2	-43.7	172.9	-173.4	-178.7	-176.8	0	0	111.3	F38 Q39 N40 L41 G46 K47	F38-E43 HydrophobicContact CD1-CG 4.29Å; Q39-E43 VanDerWaalsContact CB-OE2 3.32Å; Q39-E43 WeakPolarHBondContact CB-OE2 3.4Å; Q39-E43 WeakPolarHBondContact CG-OE2 3.4Å; Q39-E43 PolarHBondContact N-OE2 3.12Å; N40-E43 PolarHBondContact O-N 3.36Å; N40-E43 PolarHBondContact OD1-N 3.01Å; L41-E43 PolarHBondContact O-N 3Å; E43-G46 PolarHBondContact O-N 2.85Å; E43-K47 WeakPolarHBondContact O-CG 3.29Å; E43-K47 PolarHBondContact O-N 3.13Å
44	L	95.1	Very high	88.4	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-63.9	-48.8	176	178.8	150	0	0	0	111.1	P22 L25 F26 F38 N40 L41 E42 G46 K47 L48	P22-L44 HydrophobicContact CB-CD2 4.03Å; L25-L44 HydrophobicContact CB-CD1 3.93Å; L25-L44 HydrophobicContact CB-CD2 4.25Å; F26-L44 HydrophobicContact CB-CD1 4.01Å; F26-L44 HydrophobicContact CD2-CD1 4.46Å; F38-L44 HydrophobicContact CB-CB 4.27Å; F38-L44 HydrophobicContact CD1-CB 4.18Å; F38-L44 HydrophobicContact CD2-CB 4.14Å; F38-L44 HydrophobicContact CD2-CD1 3.7Å; F38-L44 HydrophobicContact CD2-CG 4.28Å; F38-L44 HydrophobicContact CE2-CD1 3.82Å; F38-L44 HydrophobicContact CE2-CG 4.34Å; F38-L44 HydrophobicContact CG-CB 3.91Å; F38-L44 HydrophobicContact CG-CD1 4.34Å; N40-L44 PolarHBondContact O-N 3.13Å; L41-L44 PolarHBondContact O-N 3.01Å; E42-L44 VanDerWaalsContact C-N 3.35Å; L44-G46 VanDerWaalsContact C-N 3.28Å; L44-G46 PolarHBondContact O-N 3.49Å; L44-K47 WeakPolarHBondContact O-CA 3.11Å; L44-K47 WeakPolarHBondContact O-CB 3.03Å; L44-K47 PolarHBondContact O-N 3.15Å; L44-L48 HydrophobicContact CD2-CD1 3.48Å; L44-L48 VanDerWaalsContact CD2-CD1 3.48Å; L44-L48 HydrophobicContact CD2-CG 4Å; L44-L48 HydrophobicContact CG-CD1 4.46Å; L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 3.45Å
45	K	95.2	Very high	90	Very high	43 Å²	43	75.6 Å²	75.6	19%	0.187	38%	0.379	C	S	.	.	H	α-helix	trans	-55.4	-44.4	176.7	-75.2	180	176.3	176.2	0	111.4	P22 E23 L41 E42 K47 L48 M49	P22-K45 HydrophobicContact CB-CD 4.46Å; P22-K45 HydrophobicContact CB-CG 3.87Å; P22-K45 HydrophobicContact CG-CG 4.38Å; E23-K45 IonicContact OE1-NZ 2.66Å; E23-K45 PolarHBondContact OE1-NZ 3.23Å; E23-K45 VanDerWaalsContact OE1-NZ 3.14Å; L41-K45 HydrophobicContact CD1-CG 4.34Å; L41-K45 HydrophobicContact CG-CD 4.19Å; L41-K45 HydrophobicContact CG-CG 4.41Å; L41-K45 WeakPolarHBondContact O-CG 3.45Å; L41-K45 PolarHBondContact O-N 3.48Å; E42-K45 PolarHBondContact O-N 3.24Å; K45-K47 PolarHBondContact O-N 2.9Å; K45-K47 VanDerWaalsContact O-N 3.15Å; K45-L48 PolarHBondContact O-N 3.44Å; K45-L48 VanDerWaalsContact O-N 3.1Å; K45-M49 WeakPolarHBondContact O-CG 3.5Å; K45-M49 PolarHBondContact O-N 3.33Å
46	G	93.9	Very high	91	Very high	32 Å²	32	69.2 Å²	69.2	33%	0.33	35%	0.351	S	S	.	.	H	α-helix	trans	-66.1	-12.6	176.1	0	0	0	0	0	115.6	E42 E43 L44 K51	E42-G46 PolarHBondContact O-N 3.46Å; E43-G46 PolarHBondContact O-N 2.85Å; L44-G46 VanDerWaalsContact C-N 3.28Å; L44-G46 PolarHBondContact O-N 3.49Å; G46-K51 WeakPolarHBondContact O-CE 3.28Å
47	K	93.8	Very high	91.7	Very high	115 Å²	115	71.8 Å²	71.8	50%	0.5	36%	0.355	S	S	.	.	H	α-helix	trans	-94	-27.8	171.6	-67.4	-73	-174	175.7	0	113	F38 E43 L44 K45	F38-K47 HydrophobicContact CE1-CB 4.4Å; F38-K47 HydrophobicContact CE1-CG 4.03Å; E43-K47 WeakPolarHBondContact O-CG 3.29Å; E43-K47 PolarHBondContact O-N 3.13Å; L44-K47 WeakPolarHBondContact O-CA 3.11Å; L44-K47 WeakPolarHBondContact O-CB 3.03Å; L44-K47 PolarHBondContact O-N 3.15Å; K45-K47 PolarHBondContact O-N 2.9Å; K45-K47 VanDerWaalsContact O-N 3.15Å
48	L	94.8	Very high	92.2	Very high	3 Å²	3	71.4 Å²	71.4	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-79.2	-36.6	174.6	-60.7	-176.4	0	0	0	111.8	P22 L25 L44 K45 P50 A62 V65 I66 T288	P22-L48 HydrophobicContact CB-CD1 4.44Å; P22-L48 HydrophobicContact CG-CD1 4.45Å; L25-L48 HydrophobicContact CD1-CD1 3.64Å; L25-L48 HydrophobicContact CD1-CD2 4.46Å; L44-L48 HydrophobicContact CD2-CD1 3.48Å; L44-L48 VanDerWaalsContact CD2-CD1 3.48Å; L44-L48 HydrophobicContact CD2-CG 4Å; L44-L48 HydrophobicContact CG-CD1 4.46Å; L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 3.45Å; K45-L48 PolarHBondContact O-N 3.44Å; K45-L48 VanDerWaalsContact O-N 3.1Å; L48-P50 WeakPolarHBondContact O-CD 3.28Å; L48-A62 HydrophobicContact CD2-CB 4.37Å; L48-V65 HydrophobicContact CD2-CB 4.3Å; L48-V65 HydrophobicContact CD2-CG1 4.14Å; L48-I66 HydrophobicContact CD2-CD1 4.02Å; L48-I66 HydrophobicContact CD2-CG1 3.72Å; L48-T288 HydrophobicContact CD1-CG2 3.86Å
49	M	89.8	Confident	92.4	Very high	78 Å²	78	70.6 Å²	70.6	38%	0.384	35%	0.35	S	S	.	.	S	Bend	trans	-71.1	123.5	-178.9	-69.4	-176.9	82.7	0	0	111.8	K45 E291	K45-M49 WeakPolarHBondContact O-CG 3.5Å; K45-M49 PolarHBondContact O-N 3.33Å; M49-E291 VanDerWaalsContact CE-OE2 3.31Å; M49-E291 WeakPolarHBondContact CE-OE2 3.17Å
50	P	86.2	Confident	92.6	Very high	19 Å²	19	65.9 Å²	65.9	12%	0.123	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-66.6	136.9	176.6	-20.6	35.2	0	0	0	110.9	L48 F59 V256	L48-P50 WeakPolarHBondContact O-CD 3.28Å; P50-F59 HydrophobicContact CB-CB 4.44Å; P50-F59 HydrophobicContact CB-CD2 4.4Å; P50-F59 HydrophobicContact CG-CB 4.19Å; P50-F59 HydrophobicContact CG-CD2 3.57Å; P50-F59 HydrophobicContact CG-CE2 4.33Å; P50-F59 HydrophobicContact CG-CG 4.13Å; P50-V256 HydrophobicContact CB-CG1 3.48Å; P50-V256 VanDerWaalsContact CB-CG1 3.48Å; P50-V256 HydrophobicContact CG-CG1 3.43Å; P50-V256 VanDerWaalsContact CG-CG1 3.43Å
51	K	85.1	Confident	92.6	Very high	136 Å²	136	66.7 Å²	66.7	59%	0.591	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-95	158.8	-174.1	-63.2	-178	-178.6	-177.9	0	111.2	G46 P53	G46-K51 WeakPolarHBondContact O-CE 3.28Å; K51-P53 CarbonylContact O-C 3.33Å; K51-P53 VanDerWaalsContact O-O 3.06Å
52	K	86.3	Confident	92.6	Very high	179 Å²	179	64.9 Å²	64.9	78%	0.778	32%	0.32	S	S	*	.	S	Bend	trans	-74.6	143	169	-70.6	-177.2	-179.5	-175.4	0	110.5	H54	K52-H54 VanDerWaalsContact CE-NE2 3.35Å; K52-H54 WeakPolarHBondContact CE-NE2 3.43Å; K52-H54 VanDerWaalsContact CG-NE2 3.32Å; K52-H54 WeakPolarHBondContact CG-NE2 3.42Å
53	P	86.3	Confident	92.6	Very high	111 Å²	111	60.2 Å²	60.2	72%	0.721	30%	0.298	S	S	*	.	S	Bend	cis	-69.2	138.2	-5.2	30.7	-34.8	0	0	0	111.7	K51	K51-P53 CarbonylContact O-C 3.33Å; K51-P53 VanDerWaalsContact O-O 3.06Å
54	H	91.2	Very high	92.6	Very high	64 Å²	64	63.7 Å²	63.7	30%	0.296	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-67.6	135.9	-177.4	-68.8	-55.3	0	0	0	111.2	K52 F255 V256	K52-H54 VanDerWaalsContact CE-NE2 3.35Å; K52-H54 WeakPolarHBondContact CE-NE2 3.43Å; K52-H54 VanDerWaalsContact CG-NE2 3.32Å; K52-H54 WeakPolarHBondContact CG-NE2 3.42Å; H54-F255 VanDerWaalsContact CB-O 3.28Å; H54-F255 WeakPolarHBondContact CB-O 3.44Å; H54-V256 WeakPolarHBondContact CB-O 3.41Å
55	S	93.9	Very high	92.6	Very high	34 Å²	34	65.3 Å²	65.3	24%	0.238	32%	0.324	C	S	.	.			trans	-158	148	176.6	71.8	0	0	0	0	110.6	K57 D58 F59 T257	S55-K57 PolarHBondContact O-N 3.02Å; S55-D58 PolarHBondContact O-N 2.93Å; S55-D58 VanDerWaalsContact O-N 3.08Å; S55-D58 WeakPolarHBondContact OG-CB 3.49Å; S55-D58 PolarHBondContact OG-N 2.96Å; S55-D58 VanDerWaalsContact OG-N 3.14Å; S55-D58 PolarHBondContact OG-OD2 3.11Å; S55-D58 VanDerWaalsContact OG-OD2 3.12Å; S55-F59 PolarHBondContact O-N 2.65Å; S55-T257 CarbonylContact C-O 3.58Å; S55-T257 WeakPolarHBondContact CA-O 3.46Å
56	L	94	Very high	92.7	Very high	7 Å²	7	63.3 Å²	63.3	4%	0.037	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-35.6	176.6	176.9	61.4	0	0	0	111.3	D58 F59 L60 E205 N206 T257	L56-D58 VanDerWaalsContact C-N 3.33Å; L56-D58 PolarHBondContact O-N 3.4Å; L56-F59 HydrophobicContact CD1-CD1 4.39Å; L56-F59 WeakPolarHBondContact O-CB 3.41Å; L56-F59 PolarHBondContact O-N 3.38Å; L56-L60 HydrophobicContact CD1-CD1 4.09Å; L56-L60 HydrophobicContact CD1-CD2 4.31Å; L56-L60 HydrophobicContact CD1-CG 3.91Å; L56-L60 HydrophobicContact CG-CD1 3.97Å; L56-L60 HydrophobicContact CG-CG 4.24Å; L56-L60 WeakPolarHBondContact O-CB 3.06Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.4Å; L56-L60 PolarHBondContact O-N 2.73Å; L56-E205 WeakPolarHBondContact CD1-OE2 3.43Å; L56-E205 WeakPolarHBondContact CD2-OE2 3.35Å; L56-N206 WeakPolarHBondContact CB-ND2 3.33Å; L56-N206 WeakPolarHBondContact CD2-ND2 3.1Å; L56-T257 HydrophobicContact CD1-CG2 4Å; L56-T257 PolarHBondContact N-O 3.03Å
57	K	93.1	Very high	92.9	Very high	141 Å²	141	62.8 Å²	62.8	61%	0.613	31%	0.305	S	S	*	.	H	α-helix	trans	-59	-43.8	174.2	-176.2	178.2	-178.4	176.7	0	112.2	S55 K61	S55-K57 PolarHBondContact O-N 3.02Å; K57-K61 WeakPolarHBondContact O-CG 3.44Å; K57-K61 PolarHBondContact O-N 2.9Å
58	D	93	Very high	93	Very high	51 Å²	51	61 Å²	61	27%	0.273	31%	0.305	S	S	.	.	H	α-helix	trans	-74.2	-32.2	177.7	-72.7	-34.4	0	0	0	112.3	S55 L56 K61	S55-D58 PolarHBondContact O-N 2.93Å; S55-D58 VanDerWaalsContact O-N 3.08Å; S55-D58 WeakPolarHBondContact OG-CB 3.49Å; S55-D58 PolarHBondContact OG-N 2.96Å; S55-D58 VanDerWaalsContact OG-N 3.14Å; S55-D58 PolarHBondContact OG-OD2 3.11Å; S55-D58 VanDerWaalsContact OG-OD2 3.12Å; L56-D58 VanDerWaalsContact C-N 3.33Å; L56-D58 PolarHBondContact O-N 3.4Å; D58-K61 PolarHBondContact O-N 3.35Å; D58-K61 WeakPolarHBondContact OD1-CE 3.34Å; D58-K61 IonicContact OD1-NZ 2.79Å; D58-K61 PolarHBondContact OD1-NZ 3.16Å
59	F	95.5	Very high	93	Very high	3 Å²	3	61 Å²	61	1%	0.013	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-49.1	172.4	-174.3	-85.1	0	0	0	111.6	P50 S55 L56 K61 A62 V256 T257 D286 L289 T290	P50-F59 HydrophobicContact CB-CB 4.44Å; P50-F59 HydrophobicContact CB-CD2 4.4Å; P50-F59 HydrophobicContact CG-CB 4.19Å; P50-F59 HydrophobicContact CG-CD2 3.57Å; P50-F59 HydrophobicContact CG-CE2 4.33Å; P50-F59 HydrophobicContact CG-CG 4.13Å; S55-F59 PolarHBondContact O-N 2.65Å; L56-F59 HydrophobicContact CD1-CD1 4.39Å; L56-F59 WeakPolarHBondContact O-CB 3.41Å; L56-F59 PolarHBondContact O-N 3.38Å; F59-K61 PolarHBondContact O-N 2.88Å; F59-A62 PolarHBondContact O-N 3.25Å; F59-V256 HydrophobicContact CD2-CB 4.43Å; F59-V256 HydrophobicContact CD2-CG1 3.98Å; F59-V256 HydrophobicContact CE2-CG1 4.37Å; F59-T257 HydrophobicContact CB-CG2 4.01Å; F59-T257 HydrophobicContact CD1-CG2 4.02Å; F59-T257 HydrophobicContact CD2-CG2 3.49Å; F59-T257 VanDerWaalsContact CD2-CG2 3.49Å; F59-T257 HydrophobicContact CE1-CG2 4.29Å; F59-T257 HydrophobicContact CE2-CG2 3.83Å; F59-T257 HydrophobicContact CG-CG2 3.6Å; F59-T257 HydrophobicContact CZ-CG2 4.19Å; F59-D286 HydrophobicContact CE1-CB 4.21Å; F59-D286 WeakPolarHBondContact CE1-OD2 3.19Å; F59-D286 HydrophobicContact CZ-CB 3.7Å; F59-D286 WeakPolarHBondContact CZ-OD2 3.22Å; F59-L289 HydrophobicContact CD1-CD2 3.83Å; F59-L289 HydrophobicContact CD2-CD2 4.16Å; F59-L289 HydrophobicContact CE1-CD2 3.58Å; F59-L289 HydrophobicContact CE2-CB 3.99Å; F59-L289 HydrophobicContact CE2-CD2 3.91Å; F59-L289 HydrophobicContact CG-CD2 4.12Å; F59-L289 HydrophobicContact CZ-CB 4.16Å; F59-L289 HydrophobicContact CZ-CD2 3.63Å; F59-T290 HydrophobicContact CE2-CG2 4.35Å
60	L	95.6	Very high	93.4	Very high	47 Å²	47	57.3 Å²	57.3	25%	0.246	29%	0.287	C	S	.	.	H	α-helix	trans	-68	-17.3	-178.2	-67.3	175.1	0	0	0	114	L56 A62 F63 D172	L56-L60 HydrophobicContact CD1-CD1 4.09Å; L56-L60 HydrophobicContact CD1-CD2 4.31Å; L56-L60 HydrophobicContact CD1-CG 3.91Å; L56-L60 HydrophobicContact CG-CD1 3.97Å; L56-L60 HydrophobicContact CG-CG 4.24Å; L56-L60 WeakPolarHBondContact O-CB 3.06Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.4Å; L56-L60 PolarHBondContact O-N 2.73Å; L60-A62 PolarHBondContact O-N 2.81Å; L60-F63 HydrophobicContact CD2-CD2 4.11Å; L60-F63 HydrophobicContact CD2-CE2 3.96Å; L60-F63 WeakPolarHBondContact O-CD2 3.4Å; L60-F63 PolarHBondContact O-N 2.87Å; L60-D172 HydrophobicContact CD1-CB 4Å
61	K	94.8	Very high	93.9	Very high	93 Å²	93	57.2 Å²	57.2	40%	0.404	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.1	175.4	-75.2	173.7	-175.8	167.5	0	113.1	K57 D58 F59 F63 E64	K57-K61 WeakPolarHBondContact O-CG 3.44Å; K57-K61 PolarHBondContact O-N 2.9Å; D58-K61 PolarHBondContact O-N 3.35Å; D58-K61 WeakPolarHBondContact OD1-CE 3.34Å; D58-K61 IonicContact OD1-NZ 2.79Å; D58-K61 PolarHBondContact OD1-NZ 3.16Å; F59-K61 PolarHBondContact O-N 2.88Å; K61-F63 PolarHBondContact O-N 3.49Å; K61-E64 WeakPolarHBondContact O-CB 3.45Å; K61-E64 PolarHBondContact O-N 3.03Å; K61-E64 VanDerWaalsContact O-N 3.09Å
62	A	95.7	Very high	94.4	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-31.9	176.5	0	0	0	0	0	111.8	L48 F59 L60 E64 V65 I66 L289	L48-A62 HydrophobicContact CD2-CB 4.37Å; F59-A62 PolarHBondContact O-N 3.25Å; L60-A62 PolarHBondContact O-N 2.81Å; A62-E64 VanDerWaalsContact C-N 3.28Å; A62-E64 PolarHBondContact O-N 3.17Å; A62-V65 WeakPolarHBondContact O-CA 3.49Å; A62-V65 WeakPolarHBondContact O-CB 3.49Å; A62-V65 PolarHBondContact O-N 3.36Å; A62-I66 HydrophobicContact CB-CD1 4.48Å; A62-I66 WeakPolarHBondContact O-CG1 3.35Å; A62-I66 PolarHBondContact O-N 3.44Å; A62-L289 HydrophobicContact CB-CD1 4.11Å; A62-L289 HydrophobicContact CB-CD2 3.8Å; A62-L289 HydrophobicContact CB-CG 3.95Å
63	F	96.8	Very high	94.9	Very high	30 Å²	30	46.3 Å²	46.3	13%	0.132	24%	0.244	C	C	.	.	H	α-helix	trans	-69.4	-23.8	178.3	-64.7	-81.3	0	0	0	113.4	D17 L60 K61 V65 I66 I67 D286 L289	D17-F63 HydrophobicContact CB-CD1 4.35Å; D17-F63 HydrophobicContact CB-CE1 4.04Å; L60-F63 HydrophobicContact CD2-CD2 4.11Å; L60-F63 HydrophobicContact CD2-CE2 3.96Å; L60-F63 WeakPolarHBondContact O-CD2 3.4Å; L60-F63 PolarHBondContact O-N 2.87Å; K61-F63 PolarHBondContact O-N 3.49Å; F63-V65 PolarHBondContact O-N 3.05Å; F63-I66 PolarHBondContact O-N 3.07Å; F63-I67 HydrophobicContact CB-CG1 4.1Å; F63-I67 HydrophobicContact CD1-CD1 4.46Å; F63-I67 HydrophobicContact CD1-CG1 4.44Å; F63-I67 VanDerWaalsContact O-CB 3.31Å; F63-I67 WeakPolarHBondContact O-CB 3.3Å; F63-I67 VanDerWaalsContact O-CG1 3.3Å; F63-I67 WeakPolarHBondContact O-CG1 3.34Å; F63-I67 PolarHBondContact O-N 2.79Å; F63-D286 VanDerWaalsContact CZ-OD1 3.26Å; F63-D286 WeakPolarHBondContact CZ-OD1 3.38Å; F63-L289 HydrophobicContact CE2-CD2 4.4Å
64	E	95.3	Very high	95.5	Very high	149 Å²	149	45 Å²	45	70%	0.696	23%	0.227	S	C	*	.	H	α-helix	trans	-64.3	-22.6	170.3	-59.3	178.4	-172	0	0	111.9	K61 A62 P68	K61-E64 WeakPolarHBondContact O-CB 3.45Å; K61-E64 PolarHBondContact O-N 3.03Å; K61-E64 VanDerWaalsContact O-N 3.09Å; A62-E64 VanDerWaalsContact C-N 3.28Å; A62-E64 PolarHBondContact O-N 3.17Å; E64-P68 WeakPolarHBondContact O-CD 3.48Å; E64-P68 WeakPolarHBondContact O-CG 3.45Å
65	V	95.4	Very high	95.8	Very high	35 Å²	35	49.7 Å²	49.7	21%	0.212	25%	0.249	C	C	.	.	H	α-helix	trans	-89.7	-46.3	172.5	175.9	0	0	0	0	111.1	F38 L48 A62 F63 L69	F38-V65 HydrophobicContact CE2-CG1 4.13Å; F38-V65 HydrophobicContact CZ-CG1 3.57Å; L48-V65 HydrophobicContact CD2-CB 4.3Å; L48-V65 HydrophobicContact CD2-CG1 4.14Å; A62-V65 WeakPolarHBondContact O-CA 3.49Å; A62-V65 WeakPolarHBondContact O-CB 3.49Å; A62-V65 PolarHBondContact O-N 3.36Å; F63-V65 PolarHBondContact O-N 3.05Å; V65-L69 HydrophobicContact CG1-CD1 4.43Å; V65-L69 WeakPolarHBondContact O-CG 3.49Å
66	I	97.3	Very high	96	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69.5	-52.4	-172.2	-65.5	168.1	0	0	0	111.6	I20 L25 L48 A62 F63 L69 L289	I20-I66 HydrophobicContact CD1-CG2 3.73Å; L25-I66 HydrophobicContact CD1-CG1 3.97Å; L25-I66 HydrophobicContact CD2-CG2 4.18Å; L48-I66 HydrophobicContact CD2-CD1 4.02Å; L48-I66 HydrophobicContact CD2-CG1 3.72Å; A62-I66 HydrophobicContact CB-CD1 4.48Å; A62-I66 WeakPolarHBondContact O-CG1 3.35Å; A62-I66 PolarHBondContact O-N 3.44Å; F63-I66 PolarHBondContact O-N 3.07Å; I66-L69 WeakPolarHBondContact O-CB 3.36Å; I66-L69 PolarHBondContact O-N 3.13Å; I66-L289 HydrophobicContact CD1-CD1 4.12Å
67	I	97.5	Very high	96.2	Very high	22 Å²	22	48.7 Å²	48.7	11%	0.113	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-47.1	-169.1	-63.7	-63.7	0	0	0	112.2	D17 F63 L69 V70 A71 L105 L106	D17-I67 HydrophobicContact CB-CD1 4.14Å; F63-I67 HydrophobicContact CB-CG1 4.1Å; F63-I67 HydrophobicContact CD1-CD1 4.46Å; F63-I67 HydrophobicContact CD1-CG1 4.44Å; F63-I67 VanDerWaalsContact O-CB 3.31Å; F63-I67 WeakPolarHBondContact O-CB 3.3Å; F63-I67 VanDerWaalsContact O-CG1 3.3Å; F63-I67 WeakPolarHBondContact O-CG1 3.34Å; F63-I67 PolarHBondContact O-N 2.79Å; I67-L69 PolarHBondContact O-N 3.41Å; I67-L69 VanDerWaalsContact O-N 3.12Å; I67-V70 PolarHBondContact O-N 3.1Å; I67-V70 VanDerWaalsContact O-N 3.08Å; I67-A71 HydrophobicContact CG2-CB 4.18Å; I67-A71 VanDerWaalsContact O-CB 3.26Å; I67-A71 WeakPolarHBondContact O-CB 3.36Å; I67-A71 PolarHBondContact O-N 3.04Å; I67-L105 HydrophobicContact CD1-CB 4.25Å; I67-L105 HydrophobicContact CG2-CB 4.48Å; I67-L105 WeakPolarHBondContact CG2-O 3.44Å; I67-L106 HydrophobicContact CD1-CD2 3.71Å
68	P	95.3	Very high	96.5	Very high	78 Å²	78	42.6 Å²	42.6	51%	0.506	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-21.4	177.8	-24.5	36.2	0	0	0	114.7	E64	E64-P68 WeakPolarHBondContact O-CD 3.48Å; E64-P68 WeakPolarHBondContact O-CG 3.45Å
69	L	95.6	Very high	96.8	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-77.2	-25.4	177.9	-64.2	175.5	0	0	0	112.3	L25 L28 L37 V65 I66 I67 K73	L25-L69 HydrophobicContact CB-CD1 4.23Å; L25-L69 HydrophobicContact CD2-CB 4.43Å; L25-L69 HydrophobicContact CD2-CD1 4.07Å; L28-L69 HydrophobicContact CB-CB 4.5Å; L37-L69 HydrophobicContact CD1-CD2 3.88Å; V65-L69 HydrophobicContact CG1-CD1 4.43Å; V65-L69 WeakPolarHBondContact O-CG 3.49Å; I66-L69 WeakPolarHBondContact O-CB 3.36Å; I66-L69 PolarHBondContact O-N 3.13Å; I67-L69 PolarHBondContact O-N 3.41Å; I67-L69 VanDerWaalsContact O-N 3.12Å; L69-K73 WeakPolarHBondContact O-CD 3.37Å; L69-K73 WeakPolarHBondContact O-CE 3.47Å; L69-K73 PolarHBondContact O-NZ 3.3Å
70	V	97	Very high	96.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-117.6	-28.2	-171.3	-57.8	0	0	0	0	114.5	I20 L25 L28 I67 G72 K73 V76 L77 L106	I20-V70 HydrophobicContact CD1-CG1 3.93Å; L25-V70 HydrophobicContact CD2-CG1 4.43Å; L28-V70 HydrophobicContact CD1-CG1 4.2Å; I67-V70 PolarHBondContact O-N 3.1Å; I67-V70 VanDerWaalsContact O-N 3.08Å; V70-G72 PolarHBondContact O-N 3.11Å; V70-K73 PolarHBondContact O-N 3.27Å; V70-V76 HydrophobicContact CB-CG1 4.16Å; V70-V76 HydrophobicContact CG1-CG1 3.86Å; V70-L77 HydrophobicContact CB-CD2 4.43Å; V70-L106 HydrophobicContact CG2-CD2 3.74Å
71	A	97.3	Very high	97.1	Very high	18 Å²	18	42 Å²	42	15%	0.149	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	134.6	-174.2	0	0	0	0	0	112.3	I67 K73 L106	I67-A71 HydrophobicContact CG2-CB 4.18Å; I67-A71 VanDerWaalsContact O-CB 3.26Å; I67-A71 WeakPolarHBondContact O-CB 3.36Å; I67-A71 PolarHBondContact O-N 3.04Å; A71-K73 PolarHBondContact O-N 3.09Å; A71-K73 VanDerWaalsContact O-N 3.14Å; A71-L106 CarbonylContact C-O 3.54Å; A71-L106 WeakPolarHBondContact CA-O 3.41Å
72	G	96.5	Very high	97.3	Very high	12 Å²	12	39.1 Å²	39.1	12%	0.124	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	-8.2	-179.9	0	0	0	0	0	116.5	V70 K74 L106	V70-G72 PolarHBondContact O-N 3.11Å; G72-K74 PolarHBondContact O-N 3.49Å; G72-L106 PolarHBondContact N-O 3.41Å
73	K	96.8	Very high	97.4	Very high	74 Å²	74	40.1 Å²	40.1	32%	0.322	20%	0.202	S	C	.	.			trans	-95.6	88.8	-174.1	-61.2	174.9	-165.9	170.7	0	110.9	L69 V70 A71 E75 V76 L77	L69-K73 WeakPolarHBondContact O-CD 3.37Å; L69-K73 WeakPolarHBondContact O-CE 3.47Å; L69-K73 PolarHBondContact O-NZ 3.3Å; V70-K73 PolarHBondContact O-N 3.27Å; A71-K73 PolarHBondContact O-N 3.09Å; A71-K73 VanDerWaalsContact O-N 3.14Å; K73-E75 VanDerWaalsContact C-N 3.34Å; K73-E75 PolarHBondContact O-N 2.91Å; K73-V76 HydrophobicContact CB-CB 3.73Å; K73-V76 HydrophobicContact CB-CG2 3.64Å; K73-V76 HydrophobicContact CD-CG2 3.94Å; K73-V76 HydrophobicContact CG-CG2 4.43Å; K73-V76 WeakPolarHBondContact O-CA 3.42Å; K73-V76 WeakPolarHBondContact O-CB 3.32Å; K73-V76 PolarHBondContact O-N 3.24Å; K73-L77 PolarHBondContact O-N 3Å
74	K	98	Very high	97.5	Very high	84 Å²	84	38.8 Å²	38.8	37%	0.365	20%	0.196	S	C	.	.	H	α-helix	trans	-51.1	-46	-174.8	-64.2	-176	-179	178.3	0	114.2	G72 V76 L77 A78 C111 E115 T119	G72-K74 PolarHBondContact O-N 3.49Å; K74-V76 VanDerWaalsContact C-N 3.3Å; K74-V76 PolarHBondContact O-N 3.15Å; K74-L77 PolarHBondContact O-N 3.16Å; K74-A78 PolarHBondContact O-N 3.42Å; K74-C111 WeakPolarHBondContact CE-SG 3.49Å; K74-E115 IonicContact NZ-OE1 2.79Å; K74-E115 PolarHBondContact NZ-OE1 2.89Å; K74-T119 HydrophobicContact CB-CG2 3.99Å; K74-T119 HydrophobicContact CG-CG2 4.44Å; K74-T119 WeakPolarHBondContact O-CG2 3.37Å
75	E	97.8	Very high	97.7	Very high	162 Å²	162	31.7 Å²	31.7	76%	0.757	16%	0.163	S	C	*	.	H	α-helix	trans	-64.4	-34.5	178.1	-60.3	-57.8	158.1	0	0	112.9	K73 R79	K73-E75 VanDerWaalsContact C-N 3.34Å; K73-E75 PolarHBondContact O-N 2.91Å; E75-R79 WeakPolarHBondContact O-CB 3.42Å; E75-R79 PolarHBondContact O-N 2.8Å
76	V	98.1	Very high	97.8	Very high	19 Å²	19	32 Å²	32	12%	0.115	16%	0.162	C	C	.	.	H	α-helix	trans	-70.9	-45.5	176.3	178	0	0	0	0	110.1	L28 V70 K73 K74 A78 R79 I80	L28-V76 HydrophobicContact CD1-CG1 3.45Å; L28-V76 VanDerWaalsContact CD1-CG1 3.45Å; L28-V76 HydrophobicContact CD2-CB 4.29Å; L28-V76 HydrophobicContact CD2-CG1 3.76Å; L28-V76 HydrophobicContact CD2-CG2 3.51Å; L28-V76 HydrophobicContact CG-CG1 4.26Å; V70-V76 HydrophobicContact CB-CG1 4.16Å; V70-V76 HydrophobicContact CG1-CG1 3.86Å; K73-V76 HydrophobicContact CB-CB 3.73Å; K73-V76 HydrophobicContact CB-CG2 3.64Å; K73-V76 HydrophobicContact CD-CG2 3.94Å; K73-V76 HydrophobicContact CG-CG2 4.43Å; K73-V76 WeakPolarHBondContact O-CA 3.42Å; K73-V76 WeakPolarHBondContact O-CB 3.32Å; K73-V76 PolarHBondContact O-N 3.24Å; K74-V76 VanDerWaalsContact C-N 3.3Å; K74-V76 PolarHBondContact O-N 3.15Å; V76-A78 VanDerWaalsContact C-N 3.29Å; V76-A78 PolarHBondContact O-N 3.37Å; V76-R79 WeakPolarHBondContact O-CB 3.1Å; V76-R79 PolarHBondContact O-N 3.24Å; V76-I80 HydrophobicContact CG1-CG2 4.41Å; V76-I80 WeakPolarHBondContact O-CG2 3.33Å; V76-I80 PolarHBondContact O-N 2.92Å
77	L	98.7	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.5	-42.8	174.9	-67.1	174.2	0	0	0	111.4	V70 K73 K74 I80 C81 L106 V116 T119 I120	V70-L77 HydrophobicContact CB-CD2 4.43Å; K73-L77 PolarHBondContact O-N 3Å; K74-L77 PolarHBondContact O-N 3.16Å; L77-I80 HydrophobicContact CD2-CD1 4.16Å; L77-I80 WeakPolarHBondContact O-CG1 3.27Å; L77-C81 PolarHBondContact O-N 3.23Å; L77-C81 PolarHBondContact O-SG 2.96Å; L77-L106 HydrophobicContact CD2-CB 4.47Å; L77-L106 HydrophobicContact CD2-CD1 4.23Å; L77-L106 HydrophobicContact CD2-CD2 4.43Å; L77-V116 HydrophobicContact CD1-CG1 4.26Å; L77-V116 HydrophobicContact CD1-CG2 4.29Å; L77-T119 HydrophobicContact CB-CG2 4.12Å; L77-I120 HydrophobicContact CB-CG1 4.5Å
78	A	98.7	Very high	97.9	Very high	14 Å²	14	31.3 Å²	31.3	12%	0.116	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-43.7	175.7	0	0	0	0	0	112.3	K74 V76 C81 D82 T119 A123	K74-A78 PolarHBondContact O-N 3.42Å; V76-A78 VanDerWaalsContact C-N 3.29Å; V76-A78 PolarHBondContact O-N 3.37Å; A78-C81 WeakPolarHBondContact O-CB 3.26Å; A78-C81 PolarHBondContact O-N 2.89Å; A78-D82 PolarHBondContact O-N 3.31Å; A78-D82 VanDerWaalsContact O-N 3.09Å; A78-T119 HydrophobicContact CB-CG2 4.48Å; A78-A123 HydrophobicContact CB-CB 3.98Å
79	R	98.6	Very high	98	Very high	82 Å²	82	29 Å²	29	31%	0.309	14%	0.143	S	C	.	.	H	α-helix	trans	-59.2	-49.8	176.4	175.7	-178.7	171.8	179.9	-1.5	112	T24 E27 E75 V76 C81 D82 E83	T24-R79 PolarHBondContact OG1-NH2 2.99Å; T24-R79 VanDerWaalsContact OG1-NH2 3.11Å; E27-R79 IonicContact OE1-NH2 2.78Å; E27-R79 IonicContact OE2-CZ 2.83Å; E27-R79 IonicContact OE2-NH1 3.6Å; E27-R79 PolarHBondContact OE2-NH1 3Å; E27-R79 IonicContact OE2-NH2 3.26Å; E27-R79 PolarHBondContact OE2-NH2 2.89Å; E75-R79 WeakPolarHBondContact O-CB 3.42Å; E75-R79 PolarHBondContact O-N 2.8Å; V76-R79 WeakPolarHBondContact O-CB 3.1Å; V76-R79 PolarHBondContact O-N 3.24Å; R79-C81 PolarHBondContact O-N 3.42Å; R79-D82 PolarHBondContact O-N 2.82Å; R79-D82 VanDerWaalsContact O-N 3.16Å; R79-E83 HydrophobicContact CG-CG 4.45Å; R79-E83 IonicContact CZ-OE1 3.76Å; R79-E83 IonicContact NE-OE1 3.79Å; R79-E83 PolarHBondContact NE-OE1 3.38Å; R79-E83 IonicContact NH2-OE1 3.25Å; R79-E83 PolarHBondContact NH2-OE1 2.97Å; R79-E83 WeakPolarHBondContact O-CG 3.47Å; R79-E83 PolarHBondContact O-N 3.5Å
80	I	98.7	Very high	98	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-30.4	-178	66.9	173.2	0	0	0	111.6	I20 T24 V76 L77 F84	I20-I80 HydrophobicContact CD1-CD1 3.65Å; I20-I80 HydrophobicContact CD1-CG2 4.26Å; I20-I80 HydrophobicContact CG1-CB 4.3Å; I20-I80 HydrophobicContact CG1-CD1 4.11Å; I20-I80 HydrophobicContact CG1-CG2 4.33Å; I20-I80 HydrophobicContact CG2-CB 4.34Å; I20-I80 HydrophobicContact CG2-CG2 3.66Å; T24-I80 HydrophobicContact CG2-CG2 4.26Å; V76-I80 HydrophobicContact CG1-CG2 4.41Å; V76-I80 WeakPolarHBondContact O-CG2 3.33Å; V76-I80 PolarHBondContact O-N 2.92Å; L77-I80 HydrophobicContact CD2-CD1 4.16Å; L77-I80 WeakPolarHBondContact O-CG1 3.27Å; I80-F84 WeakPolarHBondContact O-CB 3.37Å; I80-F84 PolarHBondContact O-N 2.96Å
81	C	98.9	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-44.2	172.8	-69.1	0	0	0	0	111.9	L77 A78 R79 F84 V85 A123 L124	L77-C81 PolarHBondContact O-N 3.23Å; L77-C81 PolarHBondContact O-SG 2.96Å; A78-C81 WeakPolarHBondContact O-CB 3.26Å; A78-C81 PolarHBondContact O-N 2.89Å; R79-C81 PolarHBondContact O-N 3.42Å; C81-F84 PolarHBondContact O-N 3.26Å; C81-V85 WeakPolarHBondContact O-CG2 3.27Å; C81-V85 PolarHBondContact O-N 3.18Å; C81-V85 VanDerWaalsContact O-N 3.07Å; C81-A123 HydrophobicContact CB-CB 3.57Å; C81-L124 HydrophobicContact CB-CD2 3.84Å; C81-L124 HydrophobicContact CB-CG 4.22Å
82	D	98.7	Very high	98.1	Very high	34 Å²	34	38.6 Å²	38.6	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-44.5	176.3	-78.2	-46	0	0	0	111.5	A78 R79 E86 R126 A127	A78-D82 PolarHBondContact O-N 3.31Å; A78-D82 VanDerWaalsContact O-N 3.09Å; R79-D82 PolarHBondContact O-N 2.82Å; R79-D82 VanDerWaalsContact O-N 3.16Å; D82-E86 WeakPolarHBondContact O-CB 3.39Å; D82-E86 PolarHBondContact O-N 3.48Å; D82-E86 VanDerWaalsContact O-N 3.16Å; D82-R126 VanDerWaalsContact CG-NH1 3.34Å; D82-R126 IonicContact OD1-CZ 2.72Å; D82-R126 IonicContact OD1-NH1 3.21Å; D82-R126 PolarHBondContact OD1-NH1 2.8Å; D82-R126 IonicContact OD1-NH2 3.13Å; D82-R126 IonicContact OD2-CZ 3.85Å; D82-R126 VanDerWaalsContact OD2-CZ 3.28Å; D82-R126 IonicContact OD2-NH1 2.68Å; D82-R126 PolarHBondContact OD2-NH1 3.4Å; D82-R126 IonicContact OD2-NH2 3.02Å; D82-R126 PolarHBondContact OD2-NH2 3.36Å; D82-A127 WeakPolarHBondContact OD1-CB 3.45Å
83	E	98.8	Very high	98	Very high	22 Å²	22	38.7 Å²	38.7	10%	0.103	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-42.1	177.8	-67.5	178	176.6	0	0	112.4	T24 R79 E86 D87	T24-E83 WeakPolarHBondContact CB-OE2 3.45Å; T24-E83 PolarHBondContact OG1-OE1 2.9Å; T24-E83 PolarHBondContact OG1-OE2 2.55Å; R79-E83 HydrophobicContact CG-CG 4.45Å; R79-E83 IonicContact CZ-OE1 3.76Å; R79-E83 IonicContact NE-OE1 3.79Å; R79-E83 PolarHBondContact NE-OE1 3.38Å; R79-E83 IonicContact NH2-OE1 3.25Å; R79-E83 PolarHBondContact NH2-OE1 2.97Å; R79-E83 WeakPolarHBondContact O-CG 3.47Å; R79-E83 PolarHBondContact O-N 3.5Å; E83-E86 PolarHBondContact O-N 3.49Å; E83-D87 PolarHBondContact O-N 2.89Å
84	F	98.9	Very high	98.1	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-56.2	-53.2	175.9	168.1	-104.4	0	0	0	111.2	V14 L16 A19 I80 C81 E86 D87 C88 V97 T99 L124 V135 W293	V14-F84 HydrophobicContact CG1-CE2 4.14Å; V14-F84 HydrophobicContact CG1-CZ 3.89Å; V14-F84 HydrophobicContact CG2-CE2 3.88Å; V14-F84 HydrophobicContact CG2-CZ 4.47Å; L16-F84 HydrophobicContact CD1-CB 3.78Å; L16-F84 HydrophobicContact CD1-CD1 3.8Å; L16-F84 HydrophobicContact CD1-CD2 4.01Å; L16-F84 HydrophobicContact CD1-CE1 4.42Å; L16-F84 HydrophobicContact CD1-CG 3.58Å; A19-F84 HydrophobicContact CB-CD2 3.52Å; A19-F84 HydrophobicContact CB-CE2 3.82Å; I80-F84 WeakPolarHBondContact O-CB 3.37Å; I80-F84 PolarHBondContact O-N 2.96Å; C81-F84 PolarHBondContact O-N 3.26Å; F84-E86 VanDerWaalsContact C-N 3.32Å; F84-E86 PolarHBondContact O-N 2.84Å; F84-D87 PolarHBondContact O-N 2.79Å; F84-D87 VanDerWaalsContact O-N 3.12Å; F84-C88 WeakPolarHBondContact CZ-SG 3.45Å; F84-C88 PolarHBondContact O-N 3.25Å; F84-C88 PolarHBondContact O-SG 2.98Å; F84-V97 HydrophobicContact CZ-CG2 4.07Å; F84-T99 HydrophobicContact CE1-CG2 4.1Å; F84-T99 HydrophobicContact CZ-CG2 4.39Å; F84-L124 HydrophobicContact CD1-CD2 4Å; F84-L124 HydrophobicContact CE1-CD2 4.44Å; F84-V135 HydrophobicContact CE1-CG1 4.43Å; F84-W293 AromaticContact CD2-CH2 3.72Å; F84-W293 HydrophobicContact CD2-CH2 3.72Å; F84-W293 HydrophobicContact CD2-CZ3 4.35Å; F84-W293 AromaticContact CE2-CH2 3.98Å; F84-W293 HydrophobicContact CE2-CH2 3.98Å; F84-W293 HydrophobicContact CE2-CZ3 4.19Å
85	V	98.6	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-36	-178	174.8	0	0	0	0	111.8	C81 D87 C88 V89 L124 A127 H131 I133 V135	C81-V85 WeakPolarHBondContact O-CG2 3.27Å; C81-V85 PolarHBondContact O-N 3.18Å; C81-V85 VanDerWaalsContact O-N 3.07Å; V85-D87 VanDerWaalsContact C-N 3.34Å; V85-C88 WeakPolarHBondContact O-CB 3.19Å; V85-C88 PolarHBondContact O-N 3.4Å; V85-V89 PolarHBondContact O-N 3.39Å; V85-L124 HydrophobicContact CG2-CD2 3.81Å; V85-A127 HydrophobicContact CB-CB 3.66Å; V85-A127 HydrophobicContact CG1-CB 3.86Å; V85-A127 HydrophobicContact CG2-CB 3.79Å; V85-H131 HydrophobicContact CG1-CB 4.02Å; V85-I133 HydrophobicContact CG1-CG2 3.45Å; V85-I133 VanDerWaalsContact CG1-CG2 3.45Å; V85-V135 HydrophobicContact CG1-CG2 4.42Å; V85-V135 HydrophobicContact CG2-CG2 3.95Å
86	E	98.2	Very high	98.1	Very high	41 Å²	41	23.5 Å²	23.5	19%	0.192	11%	0.112	C	C	.	.	H	α-helix	trans	-59.8	-45.3	172.2	177.7	176.7	-146.7	0	0	111.6	R21 D82 E83 F84 V89 K90	R21-E86 IonicContact CZ-OE2 2.8Å; R21-E86 IonicContact NH1-OE2 2.73Å; R21-E86 PolarHBondContact NH1-OE2 3.36Å; R21-E86 IonicContact NH2-OE2 3.21Å; R21-E86 PolarHBondContact NH2-OE2 2.95Å; D82-E86 WeakPolarHBondContact O-CB 3.39Å; D82-E86 PolarHBondContact O-N 3.48Å; D82-E86 VanDerWaalsContact O-N 3.16Å; E83-E86 PolarHBondContact O-N 3.49Å; F84-E86 VanDerWaalsContact C-N 3.32Å; F84-E86 PolarHBondContact O-N 2.84Å; E86-V89 PolarHBondContact O-N 2.81Å; E86-K90 HydrophobicContact CG-CD 3.82Å; E86-K90 HydrophobicContact CG-CG 4.4Å; E86-K90 WeakPolarHBondContact O-CB 3.23Å; E86-K90 WeakPolarHBondContact O-CG 3.25Å; E86-K90 PolarHBondContact O-N 3.06Å; E86-K90 WeakPolarHBondContact OE1-CE 3.39Å; E86-K90 IonicContact OE1-NZ 3.03Å; E86-K90 PolarHBondContact OE1-NZ 3Å
87	D	98.5	Very high	98.1	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-71.4	-35.5	-179.9	-78.7	-3.6	0	0	0	112.4	R21 E83 F84 V85 V89 K90 R91 G92 W293	R21-D87 IonicContact CZ-OD1 3.74Å; R21-D87 IonicContact CZ-OD2 3.33Å; R21-D87 IonicContact NE-OD1 3.86Å; R21-D87 PolarHBondContact NE-OD1 3.42Å; R21-D87 IonicContact NE-OD2 3.79Å; R21-D87 PolarHBondContact NE-OD2 2.9Å; R21-D87 IonicContact NH2-OD1 3.82Å; R21-D87 PolarHBondContact NH2-OD1 3.14Å; R21-D87 IonicContact NH2-OD2 2.72Å; E83-D87 PolarHBondContact O-N 2.89Å; F84-D87 PolarHBondContact O-N 2.79Å; F84-D87 VanDerWaalsContact O-N 3.12Å; V85-D87 VanDerWaalsContact C-N 3.34Å; D87-V89 PolarHBondContact O-N 3.46Å; D87-K90 PolarHBondContact O-N 3.01Å; D87-R91 HydrophobicContact CB-CG 4.43Å; D87-R91 VanDerWaalsContact CG-CD 3.4Å; D87-R91 CarbonylContact O-C 3.53Å; D87-R91 WeakPolarHBondContact O-CA 3.1Å; D87-R91 WeakPolarHBondContact O-CB 3.25Å; D87-R91 PolarHBondContact O-N 3.28Å; D87-R91 WeakPolarHBondContact OD1-CD 3.44Å; D87-R91 IonicContact OD2-NH1 3.3Å; D87-R91 PolarHBondContact OD2-NH1 3.42Å; D87-G92 PolarHBondContact O-N 3.39Å; D87-W293 HydrophobicContact CB-CD2 4.26Å; D87-W293 HydrophobicContact CB-CE3 4.47Å; D87-W293 HydrophobicContact CB-CH2 3.63Å; D87-W293 HydrophobicContact CB-CZ2 3.4Å; D87-W293 VanDerWaalsContact CB-CZ2 3.4Å; D87-W293 HydrophobicContact CB-CZ3 4.19Å
88	C	98.4	Very high	98.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-51.7	-43.4	169.6	-71.8	0	0	0	0	111.5	F84 V85 G92 G93 L94 I133 W293	F84-C88 WeakPolarHBondContact CZ-SG 3.45Å; F84-C88 PolarHBondContact O-N 3.25Å; F84-C88 PolarHBondContact O-SG 2.98Å; V85-C88 WeakPolarHBondContact O-CB 3.19Å; V85-C88 PolarHBondContact O-N 3.4Å; C88-G92 CarbonylContact O-C 3.57Å; C88-G92 VanDerWaalsContact O-C 3.31Å; C88-G92 WeakPolarHBondContact O-CA 3.38Å; C88-G92 PolarHBondContact O-N 2.76Å; C88-G93 PolarHBondContact O-N 2.66Å; C88-G93 VanDerWaalsContact O-N 3.11Å; C88-L94 HydrophobicContact CB-CB 4.39Å; C88-L94 HydrophobicContact CB-CD1 3.97Å; C88-L94 VanDerWaalsContact O-CB 3.32Å; C88-L94 WeakPolarHBondContact O-CB 3.23Å; C88-L94 WeakPolarHBondContact O-CG 3.35Å; C88-L94 PolarHBondContact O-N 2.91Å; C88-I133 HydrophobicContact CB-CD1 3.75Å; C88-W293 HydrophobicContact CB-CZ3 4.47Å
89	V	96.9	Very high	98.1	Very high	30 Å²	30	21.9 Å²	21.9	18%	0.182	10%	0.101	C	C	.	.	H	α-helix	trans	-77.5	-53.1	179.1	176.2	0	0	0	0	111.5	V85 E86 D87 G93 H131 I133	V85-V89 PolarHBondContact O-N 3.39Å; E86-V89 PolarHBondContact O-N 2.81Å; D87-V89 PolarHBondContact O-N 3.46Å; V89-G93 WeakPolarHBondContact O-CA 3.43Å; V89-G93 PolarHBondContact O-N 3.36Å; V89-G93 VanDerWaalsContact O-N 3.09Å; V89-H131 HydrophobicContact CG2-CB 4.02Å; V89-I133 HydrophobicContact CG2-CB 3.87Å; V89-I133 HydrophobicContact CG2-CD1 3.95Å; V89-I133 HydrophobicContact CG2-CG1 4.43Å; V89-I133 HydrophobicContact CG2-CG2 3.86Å
90	K	96.6	Very high	98.1	Very high	135 Å²	135	18 Å²	18	59%	0.587	9%	0.086	S	C	*	.	H	α-helix	trans	-75.9	-40.5	-170.1	-70.4	-176.2	177.1	177.6	0	113.5	E86 D87	E86-K90 HydrophobicContact CG-CD 3.82Å; E86-K90 HydrophobicContact CG-CG 4.4Å; E86-K90 WeakPolarHBondContact O-CB 3.23Å; E86-K90 WeakPolarHBondContact O-CG 3.25Å; E86-K90 PolarHBondContact O-N 3.06Å; E86-K90 WeakPolarHBondContact OE1-CE 3.39Å; E86-K90 IonicContact OE1-NZ 3.03Å; E86-K90 PolarHBondContact OE1-NZ 3Å; D87-K90 PolarHBondContact O-N 3.01Å
91	R	97.3	Very high	98.1	Very high	84 Å²	84	17.8 Å²	17.8	32%	0.317	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-30.7	-175.6	-57	171.4	68.5	-173.1	-0.1	111.5	D87 W293 L295 Q296	D87-R91 HydrophobicContact CB-CG 4.43Å; D87-R91 VanDerWaalsContact CG-CD 3.4Å; D87-R91 CarbonylContact O-C 3.53Å; D87-R91 WeakPolarHBondContact O-CA 3.1Å; D87-R91 WeakPolarHBondContact O-CB 3.25Å; D87-R91 PolarHBondContact O-N 3.28Å; D87-R91 WeakPolarHBondContact OD1-CD 3.44Å; D87-R91 IonicContact OD2-NH1 3.3Å; D87-R91 PolarHBondContact OD2-NH1 3.42Å; R91-W293 HydrophobicContact CB-CB 3.69Å; R91-W293 HydrophobicContact CB-CD2 4.19Å; R91-W293 HydrophobicContact CB-CG 3.63Å; R91-W293 VanDerWaalsContact NH2-CD1 3.27Å; R91-L295 VanDerWaalsContact O-CB 3.24Å; R91-L295 WeakPolarHBondContact O-CB 3.38Å; R91-L295 WeakPolarHBondContact O-CD1 3.38Å; R91-L295 WeakPolarHBondContact O-CG 3.48Å; R91-L295 PolarHBondContact O-N 3Å; R91-Q296 PolarHBondContact O-OE1 2.94Å
92	G	97.6	Very high	98.1	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.021	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-24.6	176.5	0	0	0	0	0	114.6	D87 C88 L94 N294	D87-G92 PolarHBondContact O-N 3.39Å; C88-G92 CarbonylContact O-C 3.57Å; C88-G92 VanDerWaalsContact O-C 3.31Å; C88-G92 WeakPolarHBondContact O-CA 3.38Å; C88-G92 PolarHBondContact O-N 2.76Å; G92-L94 PolarHBondContact O-N 3.44Å; G92-N294 WeakPolarHBondContact O-CB 3.41Å
93	G	96.1	Very high	98.1	Very high	14 Å²	14	16.3 Å²	16.3	14%	0.144	8%	0.077	C	C	.	.			trans	59.9	27.5	-171.4	0	0	0	0	0	112.4	S7 Y8 G9 C88 V89	S7-G93 VanDerWaalsContact CB-O 3.29Å; S7-G93 WeakPolarHBondContact CB-O 3.36Å; Y8-G93 PolarHBondContact N-O 3.47Å; G9-G93 PolarHBondContact N-O 3.3Å; C88-G93 PolarHBondContact O-N 2.66Å; C88-G93 VanDerWaalsContact O-N 3.11Å; V89-G93 WeakPolarHBondContact O-CA 3.43Å; V89-G93 PolarHBondContact O-N 3.36Å; V89-G93 VanDerWaalsContact O-N 3.09Å
94	L	97.8	Very high	98.1	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	145.9	-172.4	-62	-179.8	0	0	0	112.1	S7 G9 D11 C88 G92 V97 I133 N294	S7-L94 WeakPolarHBondContact CB-O 3.46Å; G9-L94 VanDerWaalsContact C-CD2 3.43Å; G9-L94 CarbonylContact O-C 3.52Å; G9-L94 WeakPolarHBondContact O-CA 3.31Å; D11-L94 HydrophobicContact CB-CD1 3.74Å; D11-L94 HydrophobicContact CB-CD2 4.05Å; C88-L94 HydrophobicContact CB-CB 4.39Å; C88-L94 HydrophobicContact CB-CD1 3.97Å; C88-L94 VanDerWaalsContact O-CB 3.32Å; C88-L94 WeakPolarHBondContact O-CB 3.23Å; C88-L94 WeakPolarHBondContact O-CG 3.35Å; C88-L94 PolarHBondContact O-N 2.91Å; G92-L94 PolarHBondContact O-N 3.44Å; L94-V97 HydrophobicContact CD1-CB 4.22Å; L94-V97 HydrophobicContact CD1-CG2 4.39Å; L94-I133 HydrophobicContact CB-CD1 3.76Å; L94-I133 WeakPolarHBondContact O-CD1 3.4Å; L94-N294 WeakPolarHBondContact CD1-OD1 3.31Å; L94-N294 HydrophobicContact CD2-CB 4.03Å
95	C	97.1	Very high	98.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-24.8	170.4	70.3	0	0	0	0	112.7	L3 G9 I133 E134	L3-C95 HydrophobicContact CB-CB 4.44Å; L3-C95 HydrophobicContact CD2-CB 4.06Å; L3-C95 WeakPolarHBondContact CD2-O 3.33Å; G9-C95 PolarHBondContact O-N 3.31Å; G9-C95 PolarHBondContact O-SG 2.88Å; C95-I133 WeakPolarHBondContact O-CG1 3.44Å; C95-E134 PolarHBondContact O-N 3.4Å; C95-E134 VanDerWaalsContact O-N 3.13Å
96	Y	98.5	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.2	177	177.4	-91	0	0	0	109.2	M1 I10 D11 L12 E98 E134 R136 A323 V325 L333	M1-Y96 HydrophobicContact CE-CD2 4.15Å; M1-Y96 HydrophobicContact CE-CE2 4.26Å; I10-Y96 WeakPolarHBondContact CA-O 3.43Å; I10-Y96 HydrophobicContact CG2-CD1 3.95Å; D11-Y96 PolarHBondContact N-O 2.72Å; L12-Y96 HydrophobicContact CD2-CD1 4.29Å; L12-Y96 HydrophobicContact CD2-CE1 3.88Å; Y96-E98 HydrophobicContact CE1-CG 3.53Å; Y96-E98 VanDerWaalsContact CE1-OE1 3.25Å; Y96-E98 WeakPolarHBondContact CE1-OE1 3.49Å; Y96-E98 VanDerWaalsContact OH-CG 3.3Å; Y96-E98 WeakPolarHBondContact OH-CG 3.33Å; Y96-E98 PolarHBondContact OH-OE1 3.02Å; Y96-E134 CarbonylContact C-O 3.18Å; Y96-E134 WeakPolarHBondContact CA-O 3.44Å; Y96-E134 HydrophobicContact CD2-CB 3.77Å; Y96-E134 HydrophobicContact CD2-CG 3.67Å; Y96-E134 HydrophobicContact CE2-CB 4.5Å; Y96-E134 HydrophobicContact CE2-CG 3.91Å; Y96-R136 HydrophobicContact CE2-CG 4.06Å; Y96-A323 HydrophobicContact CD1-CB 4.34Å; Y96-A323 HydrophobicContact CE1-CB 3.63Å; Y96-V325 HydrophobicContact CE2-CG1 3.56Å; Y96-V325 VanDerWaalsContact OH-CG1 3.22Å; Y96-V325 WeakPolarHBondContact OH-CG1 3.39Å; Y96-L333 HydrophobicContact CD1-CD2 4.17Å; Y96-L333 HydrophobicContact CD2-CD2 4.35Å; Y96-L333 HydrophobicContact CG-CD1 4.44Å; Y96-L333 HydrophobicContact CG-CD2 3.99Å
97	V	98.8	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139.4	178.4	56.8	0	0	0	0	111.6	D11 V14 F84 L94 I133 E134 V135 R136	D11-V97 HydrophobicContact CB-CG2 4.26Å; D11-V97 CarbonylContact O-C 3.59Å; D11-V97 VanDerWaalsContact O-CA 3.26Å; D11-V97 WeakPolarHBondContact O-CA 3.3Å; V14-V97 HydrophobicContact CG1-CG2 3.44Å; V14-V97 VanDerWaalsContact CG1-CG2 3.44Å; F84-V97 HydrophobicContact CZ-CG2 4.07Å; L94-V97 HydrophobicContact CD1-CB 4.22Å; L94-V97 HydrophobicContact CD1-CG2 4.39Å; V97-I133 HydrophobicContact CG1-CD1 4.14Å; V97-E134 PolarHBondContact N-O 3.36Å; V97-V135 HydrophobicContact CG1-CB 4.01Å; V97-V135 HydrophobicContact CG1-CG1 3.92Å; V97-V135 HydrophobicContact CG1-CG2 3.62Å; V97-V135 WeakPolarHBondContact O-CA 3.36Å; V97-R136 PolarHBondContact O-N 3.5Å
98	E	98.8	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	96.2	168.5	-64.4	177.9	-161.3	0	0	108.7	D11 L12 Y96 R136 I138 R223 A323 F324	D11-E98 PolarHBondContact O-N 3.32Å; L12-E98 HydrophobicContact CD2-CG 4.14Å; Y96-E98 HydrophobicContact CE1-CG 3.53Å; Y96-E98 VanDerWaalsContact CE1-OE1 3.25Å; Y96-E98 WeakPolarHBondContact CE1-OE1 3.49Å; Y96-E98 VanDerWaalsContact OH-CG 3.3Å; Y96-E98 WeakPolarHBondContact OH-CG 3.33Å; Y96-E98 PolarHBondContact OH-OE1 3.02Å; E98-R136 CarbonylContact C-O 3.57Å; E98-R136 WeakPolarHBondContact CA-O 3.49Å; E98-R136 HydrophobicContact CG-CB 4.25Å; E98-I138 HydrophobicContact CB-CD1 3.97Å; E98-I138 HydrophobicContact CB-CG1 4.32Å; E98-R223 IonicContact OE1-NH1 3.03Å; E98-R223 PolarHBondContact OE1-NH1 2.68Å; E98-R223 IonicContact OE2-CZ 3.88Å; E98-R223 IonicContact OE2-NH1 3.83Å; E98-R223 PolarHBondContact OE2-NH1 2.71Å; E98-R223 IonicContact OE2-NH2 2.93Å; E98-R223 PolarHBondContact OE2-NH2 3.47Å; E98-A323 WeakPolarHBondContact OE1-CA 3.46Å; E98-F324 PolarHBondContact OE1-N 3.1Å; E98-F324 VanDerWaalsContact OE2-CD2 3.3Å; E98-F324 WeakPolarHBondContact OE2-CD2 3.45Å
99	T	98.9	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	146	178.1	-169.2	0	0	0	0	110.6	V14 L16 F84 Y101 L124 V135 R136 S137 I138	V14-T99 CarbonylContact O-C 3.54Å; V14-T99 VanDerWaalsContact O-CA 3.28Å; V14-T99 WeakPolarHBondContact O-CA 3.44Å; V14-T99 PolarHBondContact O-OG1 3.16Å; V14-T99 VanDerWaalsContact O-OG1 3.11Å; L16-T99 WeakPolarHBondContact CB-OG1 3.29Å; L16-T99 PolarHBondContact N-OG1 3.48Å; F84-T99 HydrophobicContact CE1-CG2 4.1Å; F84-T99 HydrophobicContact CZ-CG2 4.39Å; T99-Y101 HydrophobicContact CG2-CE1 4.29Å; T99-L124 HydrophobicContact CG2-CD1 3.96Å; T99-V135 HydrophobicContact CG2-CG1 4.22Å; T99-R136 PolarHBondContact N-O 3.3Å; T99-S137 CarbonylContact O-C 3.42Å; T99-S137 WeakPolarHBondContact O-CA 3.4Å; T99-I138 PolarHBondContact O-N 2.85Å
100	R	98.8	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.9	-179.2	63.4	-170.4	67.7	-171.5	-9.1	111.3	L12 H13 V14 H15 L16 I138 H202 E248	L12-R100 PolarHBondContact O-NH2 3.05Å; H13-R100 PolarHBondContact CE1-NH1 3.49Å; H13-R100 VanDerWaalsContact CG-CZ 3.46Å; H13-R100 VanDerWaalsContact CG-NH1 3.32Å; H13-R100 PolarHBondContact ND1-NH1 3.45Å; H13-R100 PolarHBondContact NE2-NH1 3.03Å; V14-R100 PolarHBondContact O-N 3.48Å; H15-R100 CarbonylContact C-O 3.44Å; H15-R100 VanDerWaalsContact CA-O 3.3Å; H15-R100 WeakPolarHBondContact CA-O 3.28Å; H15-R100 HydrophobicContact CB-CG 4.39Å; H15-R100 VanDerWaalsContact CE1-CD 3.43Å; H15-R100 WeakPolarHBondContact CE1-CD 3.43Å; H15-R100 WeakPolarHBondContact ND1-CG 3.29Å; L16-R100 PolarHBondContact N-O 3.47Å; R100-I138 VanDerWaalsContact CA-O 3.31Å; R100-I138 WeakPolarHBondContact CA-O 3.25Å; R100-I138 HydrophobicContact CB-CB 3.98Å; R100-I138 HydrophobicContact CB-CG2 4.36Å; R100-H202 VanDerWaalsContact CD-CE1 3.49Å; R100-H202 WeakPolarHBondContact CD-CE1 3.47Å; R100-H202 PolarHBondContact NH1-CE1 2.92Å; R100-H202 PolarHBondContact NH1-NE2 2.93Å; R100-H202 VanDerWaalsContact NH1-NE2 3.18Å; R100-E248 IonicContact CZ-OE2 3.25Å; R100-E248 IonicContact NH1-OE2 3.47Å; R100-E248 PolarHBondContact NH1-OE2 3.12Å; R100-E248 VanDerWaalsContact NH2-CD 3.27Å; R100-E248 IonicContact NH2-OE1 3.6Å; R100-E248 PolarHBondContact NH2-OE1 2.93Å; R100-E248 IonicContact NH2-OE2 3.09Å; R100-E248 PolarHBondContact NH2-OE2 2.93Å
101	Y	98.8	Very high	97.6	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	155.4	176.8	48.4	-87.1	0	0	0	108.9	L16 T99 P103 L106 L117 I120 S137 I138 L139 S140	L16-Y101 HydrophobicContact CB-CD1 3.9Å; L16-Y101 HydrophobicContact CB-CG 4.43Å; L16-Y101 HydrophobicContact CD2-CD1 3.85Å; L16-Y101 HydrophobicContact CD2-CE1 4.15Å; L16-Y101 HydrophobicContact CD2-CG 4.39Å; T99-Y101 HydrophobicContact CG2-CE1 4.29Å; Y101-P103 HydrophobicContact CD2-CG 4.14Å; Y101-P103 HydrophobicContact CE2-CG 4.07Å; Y101-P103 WeakPolarHBondContact O-CD 3.3Å; Y101-L106 HydrophobicContact CD2-CD1 4.4Å; Y101-L117 HydrophobicContact CE2-CD1 4.13Å; Y101-L117 VanDerWaalsContact OH-CD1 3.24Å; Y101-L117 WeakPolarHBondContact OH-CD1 3.09Å; Y101-I120 HydrophobicContact CD2-CD1 3.9Å; Y101-I120 HydrophobicContact CE1-CG2 3.8Å; Y101-I120 HydrophobicContact CE2-CD1 3.66Å; Y101-I120 HydrophobicContact CE2-CG2 4.23Å; Y101-I120 WeakPolarHBondContact OH-CG2 3.3Å; Y101-S137 WeakPolarHBondContact OH-CB 3.27Å; Y101-S137 PolarHBondContact OH-OG 2.71Å; Y101-I138 PolarHBondContact N-O 2.8Å; Y101-L139 HydrophobicContact CE2-CD2 3.87Å; Y101-S140 PolarHBondContact O-N 3.31Å
102	C	98.7	Very high	97.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	15%	0.15	C	C	.	.			trans	-92.9	109.5	168.4	-175.9	0	0	0	0	109.8	F104 L105 S140 M142	C102-F104 PolarHBondContact O-N 3.29Å; C102-F104 VanDerWaalsContact O-N 3.13Å; C102-L105 HydrophobicContact CB-CB 4.26Å; C102-L105 HydrophobicContact CB-CD1 3.95Å; C102-L105 HydrophobicContact CB-CG 3.91Å; C102-L105 PolarHBondContact O-N 3.41Å; C102-L105 VanDerWaalsContact O-N 3.16Å; C102-S140 WeakPolarHBondContact CA-O 3.46Å; C102-S140 WeakPolarHBondContact CB-O 3.4Å; C102-S140 PolarHBondContact SG-O 3.06Å; C102-M142 HydrophobicContact CB-CG 3.89Å; C102-M142 HydrophobicContact CB-SD 3.82Å
103	P	98.7	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-56.1	-33.7	179.5	-26	35.3	0	0	0	113.1	Y101 L105 L106 T107 A113 V116 L139	Y101-P103 HydrophobicContact CD2-CG 4.14Å; Y101-P103 HydrophobicContact CE2-CG 4.07Å; Y101-P103 WeakPolarHBondContact O-CD 3.3Å; P103-L105 PolarHBondContact O-N 2.93Å; P103-L106 PolarHBondContact O-N 3.1Å; P103-T107 WeakPolarHBondContact O-CG2 3.32Å; P103-A113 HydrophobicContact CB-CB 4.15Å; P103-V116 HydrophobicContact CB-CG1 4.43Å; P103-L139 HydrophobicContact CG-CB 4.45Å; P103-L139 HydrophobicContact CG-CD1 4.43Å; P103-L139 HydrophobicContact CG-CD2 3.92Å; P103-L139 HydrophobicContact CG-CG 4.49Å
104	F	98.6	Very high	97.8	Very high	26 Å²	26	29.3 Å²	29.3	11%	0.114	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-66.9	-33.7	-178.3	-67.4	-90.4	0	0	0	113.3	C102 L106 T107 A113 M145 T148 E151 T152 L155	C102-F104 PolarHBondContact O-N 3.29Å; C102-F104 VanDerWaalsContact O-N 3.13Å; F104-L106 PolarHBondContact O-N 2.92Å; F104-T107 PolarHBondContact O-N 2.97Å; F104-T107 PolarHBondContact O-OG1 2.73Å; F104-A113 HydrophobicContact CD1-CB 3.94Å; F104-A113 HydrophobicContact CD2-CB 4.32Å; F104-A113 HydrophobicContact CE1-CB 3.74Å; F104-A113 HydrophobicContact CE2-CB 4.11Å; F104-A113 HydrophobicContact CG-CB 4.22Å; F104-A113 HydrophobicContact CZ-CB 3.81Å; F104-M145 HydrophobicContact CB-CE 4.04Å; F104-T148 HydrophobicContact CB-CG2 4.06Å; F104-T148 HydrophobicContact CD1-CG2 3.63Å; F104-T148 HydrophobicContact CD2-CG2 4.1Å; F104-T148 HydrophobicContact CE1-CG2 4.11Å; F104-T148 HydrophobicContact CG-CG2 3.64Å; F104-E151 HydrophobicContact CE1-CB 4.33Å; F104-E151 WeakPolarHBondContact CE1-OE2 3.34Å; F104-E151 HydrophobicContact CE2-CB 4.44Å; F104-E151 HydrophobicContact CZ-CB 3.57Å; F104-T152 WeakPolarHBondContact CE2-OG1 3.29Å; F104-L155 HydrophobicContact CE2-CD1 4.34Å; F104-L155 HydrophobicContact CZ-CD1 4.49Å
105	L	98.3	Very high	97.8	Very high	40 Å²	40	32.8 Å²	32.8	21%	0.209	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-67.3	-24.9	174.7	-69.9	-177.9	0	0	0	112.4	I67 C102 P103 T107 M142 M145	I67-L105 HydrophobicContact CD1-CB 4.25Å; I67-L105 HydrophobicContact CG2-CB 4.48Å; I67-L105 WeakPolarHBondContact CG2-O 3.44Å; C102-L105 HydrophobicContact CB-CB 4.26Å; C102-L105 HydrophobicContact CB-CD1 3.95Å; C102-L105 HydrophobicContact CB-CG 3.91Å; C102-L105 PolarHBondContact O-N 3.41Å; C102-L105 VanDerWaalsContact O-N 3.16Å; P103-L105 PolarHBondContact O-N 2.93Å; L105-T107 VanDerWaalsContact C-N 3.35Å; L105-M142 HydrophobicContact CD1-CE 4.16Å; L105-M142 HydrophobicContact CD1-CG 3.83Å; L105-M142 HydrophobicContact CD1-SD 3.9Å; L105-M142 HydrophobicContact CD2-CG 4.48Å; L105-M142 HydrophobicContact CG-CG 4.08Å; L105-M145 HydrophobicContact CD2-SD 3.71Å
106	L	98.4	Very high	97.9	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-94.7	10.6	-176.4	-58.5	175.3	0	0	0	112.9	I67 V70 A71 G72 L77 Y101 P103 F104 V116 I120	I67-L106 HydrophobicContact CD1-CD2 3.71Å; V70-L106 HydrophobicContact CG2-CD2 3.74Å; A71-L106 CarbonylContact C-O 3.54Å; A71-L106 WeakPolarHBondContact CA-O 3.41Å; G72-L106 PolarHBondContact N-O 3.41Å; L77-L106 HydrophobicContact CD2-CB 4.47Å; L77-L106 HydrophobicContact CD2-CD1 4.23Å; L77-L106 HydrophobicContact CD2-CD2 4.43Å; Y101-L106 HydrophobicContact CD2-CD1 4.4Å; P103-L106 PolarHBondContact O-N 3.1Å; F104-L106 PolarHBondContact O-N 2.92Å; L106-V116 HydrophobicContact CB-CG1 3.68Å; L106-V116 HydrophobicContact CB-CG2 4.36Å; L106-V116 HydrophobicContact CD1-CG1 4.2Å; L106-V116 VanDerWaalsContact O-CG2 3.24Å; L106-V116 WeakPolarHBondContact O-CG2 3.38Å; L106-I120 HydrophobicContact CD1-CD1 3.8Å
107	T	98.1	Very high	97.9	Very high	49 Å²	49	32.8 Å²	32.8	30%	0.301	18%	0.182	S	C	.	.			trans	-86.1	162.6	179.5	63	0	0	0	0	113.2	P103 F104 L105 C111 A113 V116	P103-T107 WeakPolarHBondContact O-CG2 3.32Å; F104-T107 PolarHBondContact O-N 2.97Å; F104-T107 PolarHBondContact O-OG1 2.73Å; L105-T107 VanDerWaalsContact C-N 3.35Å; T107-C111 WeakPolarHBondContact CA-O 3.41Å; T107-C111 VanDerWaalsContact CB-O 3.31Å; T107-C111 WeakPolarHBondContact CB-O 3.43Å; T107-A113 HydrophobicContact CG2-CB 3.98Å; T107-A113 VanDerWaalsContact CG2-N 3.33Å; T107-V116 HydrophobicContact CG2-CG2 4.18Å
108	D	94.9	Very high	97.9	Very high	69 Å²	69	37.5 Å²	37.5	37%	0.369	20%	0.202	S	C	.	.			trans	-141.8	-172	165.2	84.3	-16	0	0	0	111.1	K110 C111	D108-K110 PolarHBondContact O-N 3.09Å; D108-K110 WeakPolarHBondContact OD1-CA 3.22Å; D108-K110 PolarHBondContact OD1-N 2.85Å; D108-C111 PolarHBondContact N-O 3.02Å; D108-C111 VanDerWaalsContact N-O 3.14Å; D108-C111 PolarHBondContact O-N 3.41Å; D108-C111 WeakPolarHBondContact OD1-CB 3.4Å; D108-C111 PolarHBondContact OD1-N 3.48Å
109	S	94	Very high	97.9	Very high	117 Å²	117	38.7 Å²	38.7	82%	0.818	21%	0.21	S	C	*	.	S	Bend	trans	-59	-13	178	63.1	0	0	0	0	115.8
110	K	94.2	Very high	97.9	Very high	173 Å²	173	38.7 Å²	38.7	75%	0.752	21%	0.21	S	C	*	.	S	Bend	trans	-126.2	-12.6	-173.5	-63.3	-178.5	-176.5	177.7	0	113.9	D108	D108-K110 PolarHBondContact O-N 3.09Å; D108-K110 WeakPolarHBondContact OD1-CA 3.22Å; D108-K110 PolarHBondContact OD1-N 2.85Å
111	C	96.6	Very high	97.9	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.02	21%	0.214	C	C	.	.			trans	-129.9	103.5	-176.1	-168.7	0	0	0	0	109.3	K74 T107 D108 E115	K74-C111 WeakPolarHBondContact CE-SG 3.49Å; T107-C111 WeakPolarHBondContact CA-O 3.41Å; T107-C111 VanDerWaalsContact CB-O 3.31Å; T107-C111 WeakPolarHBondContact CB-O 3.43Å; D108-C111 PolarHBondContact N-O 3.02Å; D108-C111 VanDerWaalsContact N-O 3.14Å; D108-C111 PolarHBondContact O-N 3.41Å; D108-C111 WeakPolarHBondContact OD1-CB 3.4Å; D108-C111 PolarHBondContact OD1-N 3.48Å; C111-E115 WeakPolarHBondContact CA-OE2 3.39Å
112	G	98.2	Very high	97.9	Very high	35 Å²	35	44.5 Å²	44.5	36%	0.361	24%	0.241	S	C	.	.			trans	-77.7	169.8	179.9	0	0	0	0	0	113.4	E114 E115 V116	G112-E114 VanDerWaalsContact C-N 3.27Å; G112-E114 PolarHBondContact O-N 3.27Å; G112-E115 PolarHBondContact N-OE2 3.23Å; G112-E115 VanDerWaalsContact N-OE2 3.11Å; G112-E115 PolarHBondContact O-N 3.01Å; G112-V116 WeakPolarHBondContact O-CG2 3.32Å; G112-V116 PolarHBondContact O-N 3.01Å
113	A	98.6	Very high	97.9	Very high	12 Å²	12	44.4 Å²	44.4	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-36.4	-175.8	0	0	0	0	0	113.3	P103 F104 T107 L117 L155	P103-A113 HydrophobicContact CB-CB 4.15Å; F104-A113 HydrophobicContact CD1-CB 3.94Å; F104-A113 HydrophobicContact CD2-CB 4.32Å; F104-A113 HydrophobicContact CE1-CB 3.74Å; F104-A113 HydrophobicContact CE2-CB 4.11Å; F104-A113 HydrophobicContact CG-CB 4.22Å; F104-A113 HydrophobicContact CZ-CB 3.81Å; T107-A113 HydrophobicContact CG2-CB 3.98Å; T107-A113 VanDerWaalsContact CG2-N 3.33Å; A113-L117 WeakPolarHBondContact O-CB 3.22Å; A113-L117 PolarHBondContact O-N 3.33Å; A113-L155 HydrophobicContact CB-CD1 4.06Å
114	E	98.6	Very high	97.9	Very high	85 Å²	85	44.7 Å²	44.7	40%	0.397	24%	0.242	S	C	.	.	H	α-helix	trans	-68.3	-37.8	176	-166.5	-176.4	163.7	0	0	112.4	G112 L117 K118 L155 Y159	G112-E114 VanDerWaalsContact C-N 3.27Å; G112-E114 PolarHBondContact O-N 3.27Å; E114-L117 PolarHBondContact O-N 3.45Å; E114-K118 WeakPolarHBondContact O-CG 3.29Å; E114-K118 PolarHBondContact O-N 2.88Å; E114-K118 WeakPolarHBondContact OE1-CE 3.37Å; E114-K118 IonicContact OE1-NZ 3.75Å; E114-K118 PolarHBondContact OE1-NZ 2.88Å; E114-L155 HydrophobicContact CB-CD2 3.79Å; E114-L155 HydrophobicContact CG-CD2 3.79Å; E114-Y159 HydrophobicContact CG-CE2 3.85Å; E114-Y159 PolarHBondContact OE1-OH 2.83Å
115	E	98.5	Very high	97.9	Very high	73 Å²	73	47.1 Å²	47.1	34%	0.341	26%	0.256	S	S	.	.	H	α-helix	trans	-71.3	-39.2	177.9	-66.2	-177.2	97	0	0	111.9	K74 C111 G112 L117 K118 T119	K74-E115 IonicContact NZ-OE1 2.79Å; K74-E115 PolarHBondContact NZ-OE1 2.89Å; C111-E115 WeakPolarHBondContact CA-OE2 3.39Å; G112-E115 PolarHBondContact N-OE2 3.23Å; G112-E115 VanDerWaalsContact N-OE2 3.11Å; G112-E115 PolarHBondContact O-N 3.01Å; E115-L117 VanDerWaalsContact C-N 3.33Å; E115-K118 PolarHBondContact O-N 3.14Å; E115-T119 WeakPolarHBondContact O-CB 3.49Å; E115-T119 PolarHBondContact O-N 3Å; E115-T119 PolarHBondContact O-OG1 3.14Å
116	V	98.8	Very high	97.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-54.5	-52.6	168.6	166.3	0	0	0	0	109.5	L77 P103 L106 T107 G112 K118 T119 I120	L77-V116 HydrophobicContact CD1-CG1 4.26Å; L77-V116 HydrophobicContact CD1-CG2 4.29Å; P103-V116 HydrophobicContact CB-CG1 4.43Å; L106-V116 HydrophobicContact CB-CG1 3.68Å; L106-V116 HydrophobicContact CB-CG2 4.36Å; L106-V116 HydrophobicContact CD1-CG1 4.2Å; L106-V116 VanDerWaalsContact O-CG2 3.24Å; L106-V116 WeakPolarHBondContact O-CG2 3.38Å; T107-V116 HydrophobicContact CG2-CG2 4.18Å; G112-V116 WeakPolarHBondContact O-CG2 3.32Å; G112-V116 PolarHBondContact O-N 3.01Å; V116-K118 PolarHBondContact O-N 3.46Å; V116-T119 WeakPolarHBondContact O-CB 3.46Å; V116-T119 PolarHBondContact O-N 3.43Å; V116-I120 HydrophobicContact CG1-CD1 3.8Å; V116-I120 WeakPolarHBondContact O-CG1 3.24Å; V116-I120 PolarHBondContact O-N 3.49Å
117	L	98.8	Very high	97.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-47.3	-178.8	179.4	58.7	0	0	0	112	Y101 A113 E114 E115 T119 I120 L121 L139 L155 Y159 V164	Y101-L117 HydrophobicContact CE2-CD1 4.13Å; Y101-L117 VanDerWaalsContact OH-CD1 3.24Å; Y101-L117 WeakPolarHBondContact OH-CD1 3.09Å; A113-L117 WeakPolarHBondContact O-CB 3.22Å; A113-L117 PolarHBondContact O-N 3.33Å; E114-L117 PolarHBondContact O-N 3.45Å; E115-L117 VanDerWaalsContact C-N 3.33Å; L117-T119 VanDerWaalsContact C-N 3.29Å; L117-T119 PolarHBondContact O-N 2.92Å; L117-I120 PolarHBondContact O-N 2.7Å; L117-L121 HydrophobicContact CD1-CD1 3.76Å; L117-L121 HydrophobicContact CD1-CD2 4.26Å; L117-L121 HydrophobicContact CD1-CG 3.77Å; L117-L121 HydrophobicContact CD2-CD1 4.44Å; L117-L121 HydrophobicContact CG-CD1 3.77Å; L117-L121 HydrophobicContact CG-CG 4.21Å; L117-L121 WeakPolarHBondContact O-CB 3.33Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.5Å; L117-L121 PolarHBondContact O-N 2.81Å; L117-L139 HydrophobicContact CD1-CD2 3.74Å; L117-L139 HydrophobicContact CD2-CD1 3.93Å; L117-L155 HydrophobicContact CD2-CB 3.87Å; L117-L155 HydrophobicContact CD2-CD1 4.39Å; L117-L155 HydrophobicContact CD2-CD2 4.17Å; L117-L155 HydrophobicContact CD2-CG 4.37Å; L117-Y159 HydrophobicContact CD2-CD2 3.48Å; L117-Y159 VanDerWaalsContact CD2-CD2 3.48Å; L117-Y159 HydrophobicContact CD2-CE2 4.18Å; L117-Y159 HydrophobicContact CD2-CG 3.74Å; L117-Y159 HydrophobicContact CG-CD2 4.41Å; L117-Y159 HydrophobicContact CG-CG 4.37Å; L117-V164 HydrophobicContact CD1-CG2 4.17Å; L117-V164 HydrophobicContact CD2-CG2 4.48Å
118	K	98.7	Very high	97.9	Very high	100 Å²	100	48.1 Å²	48.1	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-56.2	-44.5	175.8	-76.2	172.9	-174.5	165.7	0	111.9	E114 E115 V116 D122 Y159	E114-K118 WeakPolarHBondContact O-CG 3.29Å; E114-K118 PolarHBondContact O-N 2.88Å; E114-K118 WeakPolarHBondContact OE1-CE 3.37Å; E114-K118 IonicContact OE1-NZ 3.75Å; E114-K118 PolarHBondContact OE1-NZ 2.88Å; E115-K118 PolarHBondContact O-N 3.14Å; V116-K118 PolarHBondContact O-N 3.46Å; K118-D122 WeakPolarHBondContact O-CB 3.49Å; K118-D122 PolarHBondContact O-N 2.87Å; K118-Y159 WeakPolarHBondContact CE-OH 3.37Å; K118-Y159 HydrophobicContact CG-CE1 4.01Å; K118-Y159 PolarHBondContact NZ-OH 3.26Å
119	T	98.7	Very high	98	Very high	25 Å²	25	49.6 Å²	49.6	15%	0.153	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-46.1	-179.8	-55.5	0	0	0	0	111	K74 L77 A78 E115 V116 L117 A123	K74-T119 HydrophobicContact CB-CG2 3.99Å; K74-T119 HydrophobicContact CG-CG2 4.44Å; K74-T119 WeakPolarHBondContact O-CG2 3.37Å; L77-T119 HydrophobicContact CB-CG2 4.12Å; A78-T119 HydrophobicContact CB-CG2 4.48Å; E115-T119 WeakPolarHBondContact O-CB 3.49Å; E115-T119 PolarHBondContact O-N 3Å; E115-T119 PolarHBondContact O-OG1 3.14Å; V116-T119 WeakPolarHBondContact O-CB 3.46Å; V116-T119 PolarHBondContact O-N 3.43Å; L117-T119 VanDerWaalsContact C-N 3.29Å; L117-T119 PolarHBondContact O-N 2.92Å; T119-A123 WeakPolarHBondContact O-CB 3.42Å; T119-A123 PolarHBondContact O-N 3.25Å; T119-A123 VanDerWaalsContact O-N 3.13Å
120	I	98.8	Very high	98.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-47.9	178.8	-68.9	169.7	0	0	0	110.7	L16 L77 Y101 L106 V116 L117 D122 A123 L124	L16-I120 HydrophobicContact CD2-CD1 4.17Å; L16-I120 HydrophobicContact CD2-CG1 4.38Å; L16-I120 HydrophobicContact CD2-CG2 3.79Å; L77-I120 HydrophobicContact CB-CG1 4.5Å; Y101-I120 HydrophobicContact CD2-CD1 3.9Å; Y101-I120 HydrophobicContact CE1-CG2 3.8Å; Y101-I120 HydrophobicContact CE2-CD1 3.66Å; Y101-I120 HydrophobicContact CE2-CG2 4.23Å; Y101-I120 WeakPolarHBondContact OH-CG2 3.3Å; L106-I120 HydrophobicContact CD1-CD1 3.8Å; V116-I120 HydrophobicContact CG1-CD1 3.8Å; V116-I120 WeakPolarHBondContact O-CG1 3.24Å; V116-I120 PolarHBondContact O-N 3.49Å; L117-I120 PolarHBondContact O-N 2.7Å; I120-D122 PolarHBondContact O-N 2.99Å; I120-A123 PolarHBondContact O-N 3.33Å; I120-L124 HydrophobicContact CG2-CD1 3.58Å; I120-L124 HydrophobicContact CG2-CG 3.97Å; I120-L124 WeakPolarHBondContact O-CB 3.45Å; I120-L124 VanDerWaalsContact O-CG 3.26Å; I120-L124 WeakPolarHBondContact O-CG 3.21Å; I120-L124 PolarHBondContact O-N 3.24Å
121	L	98.8	Very high	98.2	Very high	16 Å²	16	44.2 Å²	44.2	8%	0.084	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-41.4	-178.8	-68.8	175.2	0	0	0	112.6	L117 N125 S137 Y159 H162 V164	L117-L121 HydrophobicContact CD1-CD1 3.76Å; L117-L121 HydrophobicContact CD1-CD2 4.26Å; L117-L121 HydrophobicContact CD1-CG 3.77Å; L117-L121 HydrophobicContact CD2-CD1 4.44Å; L117-L121 HydrophobicContact CG-CD1 3.77Å; L117-L121 HydrophobicContact CG-CG 4.21Å; L117-L121 WeakPolarHBondContact O-CB 3.33Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.5Å; L117-L121 PolarHBondContact O-N 2.81Å; L121-N125 WeakPolarHBondContact O-CB 3.42Å; L121-N125 PolarHBondContact O-N 2.86Å; L121-S137 WeakPolarHBondContact CD2-OG 3.49Å; L121-Y159 HydrophobicContact CD1-CD1 3.68Å; L121-Y159 HydrophobicContact CD1-CG 4Å; L121-H162 HydrophobicContact CD1-CB 4Å; L121-V164 HydrophobicContact CD1-CG2 4.1Å; L121-V164 HydrophobicContact CD2-CG2 4.07Å
122	D	98.7	Very high	98.2	Very high	107 Å²	107	50.7 Å²	50.7	57%	0.572	25%	0.246	S	C	*	.	H	α-helix	trans	-62.3	-48.7	175.7	-178.9	72.9	0	0	0	111.4	K118 I120 N125 R126	K118-D122 WeakPolarHBondContact O-CB 3.49Å; K118-D122 PolarHBondContact O-N 2.87Å; I120-D122 PolarHBondContact O-N 2.99Å; D122-N125 PolarHBondContact O-N 2.63Å; D122-R126 WeakPolarHBondContact O-CB 3.5Å; D122-R126 PolarHBondContact O-N 3.31Å
123	A	98.8	Very high	98.1	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-44.4	179.6	0	0	0	0	0	112.4	A78 C81 T119 I120 N125 R126 A127	A78-A123 HydrophobicContact CB-CB 3.98Å; C81-A123 HydrophobicContact CB-CB 3.57Å; T119-A123 WeakPolarHBondContact O-CB 3.42Å; T119-A123 PolarHBondContact O-N 3.25Å; T119-A123 VanDerWaalsContact O-N 3.13Å; I120-A123 PolarHBondContact O-N 3.33Å; A123-N125 PolarHBondContact O-N 2.72Å; A123-R126 PolarHBondContact O-N 2.91Å; A123-A127 VanDerWaalsContact O-CB 3.31Å; A123-A127 WeakPolarHBondContact O-CB 3.18Å; A123-A127 PolarHBondContact O-N 3.11Å
124	L	98.7	Very high	98.1	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-42	175.8	-71.3	-179.8	0	0	0	111.7	C81 F84 V85 T99 I120 A127 S128 V135	C81-L124 HydrophobicContact CB-CD2 3.84Å; C81-L124 HydrophobicContact CB-CG 4.22Å; F84-L124 HydrophobicContact CD1-CD2 4Å; F84-L124 HydrophobicContact CE1-CD2 4.44Å; V85-L124 HydrophobicContact CG2-CD2 3.81Å; T99-L124 HydrophobicContact CG2-CD1 3.96Å; I120-L124 HydrophobicContact CG2-CD1 3.58Å; I120-L124 HydrophobicContact CG2-CG 3.97Å; I120-L124 WeakPolarHBondContact O-CB 3.45Å; I120-L124 VanDerWaalsContact O-CG 3.26Å; I120-L124 WeakPolarHBondContact O-CG 3.21Å; I120-L124 PolarHBondContact O-N 3.24Å; L124-A127 PolarHBondContact O-N 3.11Å; L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 2.85Å; L124-V135 HydrophobicContact CB-CG1 4.46Å; L124-V135 HydrophobicContact CD1-CG1 4.13Å; L124-V135 HydrophobicContact CD2-CG1 4.12Å; L124-V135 HydrophobicContact CG-CG1 4.47Å
125	N	98.2	Very high	98.1	Very high	76 Å²	76	46 Å²	46	41%	0.406	21%	0.214	S	C	.	.	H	α-helix	trans	-64.5	-46.1	176.9	177.9	60.1	0	0	0	111.6	R2 L121 D122 A123 A127 S128 E129	R2-N125 PolarHBondContact NH1-OD1 3.37Å; L121-N125 WeakPolarHBondContact O-CB 3.42Å; L121-N125 PolarHBondContact O-N 2.86Å; D122-N125 PolarHBondContact O-N 2.63Å; A123-N125 PolarHBondContact O-N 2.72Å; N125-A127 PolarHBondContact O-N 3.31Å; N125-S128 WeakPolarHBondContact O-CB 3.48Å; N125-S128 PolarHBondContact O-N 3.06Å; N125-E129 WeakPolarHBondContact O-CG 3.47Å; N125-E129 PolarHBondContact O-N 3.45Å
126	R	98.2	Very high	98.1	Very high	109 Å²	109	44.8 Å²	44.8	41%	0.411	21%	0.206	S	C	.	.	H	α-helix	trans	-60.6	-44.5	177.4	178.2	172.6	52.8	81.2	3.9	111.9	D82 D122 A123 E129 K130	D82-R126 VanDerWaalsContact CG-NH1 3.34Å; D82-R126 IonicContact OD1-CZ 2.72Å; D82-R126 IonicContact OD1-NH1 3.21Å; D82-R126 PolarHBondContact OD1-NH1 2.8Å; D82-R126 IonicContact OD1-NH2 3.13Å; D82-R126 IonicContact OD2-CZ 3.85Å; D82-R126 VanDerWaalsContact OD2-CZ 3.28Å; D82-R126 IonicContact OD2-NH1 2.68Å; D82-R126 PolarHBondContact OD2-NH1 3.4Å; D82-R126 IonicContact OD2-NH2 3.02Å; D82-R126 PolarHBondContact OD2-NH2 3.36Å; D122-R126 WeakPolarHBondContact O-CB 3.5Å; D122-R126 PolarHBondContact O-N 3.31Å; A123-R126 PolarHBondContact O-N 2.91Å; R126-E129 PolarHBondContact O-N 3.37Å; R126-K130 PolarHBondContact O-N 3.48Å; R126-K130 VanDerWaalsContact O-N 3.15Å
127	A	98.3	Very high	98.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.8	-40.5	177.2	0	0	0	0	0	112	D82 V85 A123 L124 N125 E129 K130 H131	D82-A127 WeakPolarHBondContact OD1-CB 3.45Å; V85-A127 HydrophobicContact CB-CB 3.66Å; V85-A127 HydrophobicContact CG1-CB 3.86Å; V85-A127 HydrophobicContact CG2-CB 3.79Å; A123-A127 VanDerWaalsContact O-CB 3.31Å; A123-A127 WeakPolarHBondContact O-CB 3.18Å; A123-A127 PolarHBondContact O-N 3.11Å; L124-A127 PolarHBondContact O-N 3.11Å; N125-A127 PolarHBondContact O-N 3.31Å; A127-E129 VanDerWaalsContact C-N 3.32Å; A127-E129 PolarHBondContact O-N 2.95Å; A127-K130 PolarHBondContact O-N 3.4Å; A127-H131 WeakPolarHBondContact O-CB 3.45Å; A127-H131 PolarHBondContact O-CD2 3.45Å; A127-H131 PolarHBondContact O-N 3.38Å
128	S	97.8	Very high	98.1	Very high	5 Å²	5	44.9 Å²	44.9	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-56.6	-43.3	173.4	162.4	0	0	0	0	111.8	R2 L124 N125 K132 I133	R2-S128 PolarHBondContact NH1-OG 2.98Å; L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 2.85Å; N125-S128 WeakPolarHBondContact O-CB 3.48Å; N125-S128 PolarHBondContact O-N 3.06Å; S128-K132 VanDerWaalsContact O-CA 3.28Å; S128-K132 WeakPolarHBondContact O-CA 3.46Å; S128-K132 PolarHBondContact O-N 3.16Å; S128-I133 VanDerWaalsContact CB-O 3.27Å; S128-I133 WeakPolarHBondContact CB-O 3.37Å; S128-I133 PolarHBondContact O-N 3.16Å; S128-I133 PolarHBondContact OG-O 2.98Å
129	E	97.1	Very high	98.1	Very high	100 Å²	100	40.1 Å²	40.1	47%	0.467	19%	0.186	S	C	.	.	H	α-helix	trans	-61.5	-49.5	175	-74.9	-176.2	173.7	0	0	112.2	R2 N125 R126 A127 H131 K132	R2-E129 IonicContact CZ-OE1 2.75Å; R2-E129 IonicContact NH1-OE1 3.48Å; R2-E129 IonicContact NH2-OE1 3.52Å; R2-E129 PolarHBondContact NH2-OE1 2.85Å; N125-E129 WeakPolarHBondContact O-CG 3.47Å; N125-E129 PolarHBondContact O-N 3.45Å; R126-E129 PolarHBondContact O-N 3.37Å; A127-E129 VanDerWaalsContact C-N 3.32Å; A127-E129 PolarHBondContact O-N 2.95Å; E129-H131 PolarHBondContact O-N 3.45Å; E129-K132 PolarHBondContact O-N 3.1Å
130	K	97.2	Very high	98.1	Very high	143 Å²	143	39 Å²	39	62%	0.622	18%	0.179	S	C	*	.	H	α-helix	trans	-59.8	-44.2	-179.5	177.8	-174.6	170.3	-161.6	0	112.1	R126 A127	R126-K130 PolarHBondContact O-N 3.48Å; R126-K130 VanDerWaalsContact O-N 3.15Å; A127-K130 PolarHBondContact O-N 3.4Å
131	H	96.4	Very high	98.1	Very high	33 Å²	33	39 Å²	39	15%	0.153	18%	0.179	C	C	.	.	H	α-helix	trans	-96.2	-3.4	-174	-71.3	-84.7	0	0	0	114	V85 V89 A127 E129 I133	V85-H131 HydrophobicContact CG1-CB 4.02Å; V89-H131 HydrophobicContact CG2-CB 4.02Å; A127-H131 WeakPolarHBondContact O-CB 3.45Å; A127-H131 PolarHBondContact O-CD2 3.45Å; A127-H131 PolarHBondContact O-N 3.38Å; E129-H131 PolarHBondContact O-N 3.45Å; H131-I133 VanDerWaalsContact C-N 3.26Å; H131-I133 HydrophobicContact CB-CG2 4.05Å; H131-I133 PolarHBondContact O-N 3.12Å
132	K	96	Very high	98.1	Very high	139 Å²	139	39.2 Å²	39.2	60%	0.604	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	37.3	179.5	-56.3	179.6	-179.2	177.5	0	113.7	R2 L3 P4 S128 E129	R2-K132 CarbonylContact C-O 3.25Å; R2-K132 VanDerWaalsContact C-O 3.25Å; R2-K132 CarbonylContact O-C 3.59Å; L3-K132 CarbonylContact C-O 3.25Å; L3-K132 VanDerWaalsContact C-O 3.25Å; L3-K132 WeakPolarHBondContact CA-O 3.41Å; L3-K132 PolarHBondContact N-O 3.06Å; P4-K132 WeakPolarHBondContact CD-O 3.46Å; P4-K132 VanDerWaalsContact CG-O 3.25Å; P4-K132 WeakPolarHBondContact CG-O 3.31Å; S128-K132 VanDerWaalsContact O-CA 3.28Å; S128-K132 WeakPolarHBondContact O-CA 3.46Å; S128-K132 PolarHBondContact O-N 3.16Å; E129-K132 PolarHBondContact O-N 3.1Å
133	I	97.3	Very high	98	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.157	C	C	.	.			trans	-113.1	145.5	176.2	-177.4	177.7	0	0	0	109	R2 P4 V85 C88 V89 L94 C95 V97 S128 H131 V135	R2-I133 CarbonylContact O-C 3.56Å; R2-I133 WeakPolarHBondContact O-CA 3.23Å; P4-I133 HydrophobicContact CG-CB 4.26Å; V85-I133 HydrophobicContact CG1-CG2 3.45Å; V85-I133 VanDerWaalsContact CG1-CG2 3.45Å; C88-I133 HydrophobicContact CB-CD1 3.75Å; V89-I133 HydrophobicContact CG2-CB 3.87Å; V89-I133 HydrophobicContact CG2-CD1 3.95Å; V89-I133 HydrophobicContact CG2-CG1 4.43Å; V89-I133 HydrophobicContact CG2-CG2 3.86Å; L94-I133 HydrophobicContact CB-CD1 3.76Å; L94-I133 WeakPolarHBondContact O-CD1 3.4Å; C95-I133 WeakPolarHBondContact O-CG1 3.44Å; V97-I133 HydrophobicContact CG1-CD1 4.14Å; S128-I133 VanDerWaalsContact CB-O 3.27Å; S128-I133 WeakPolarHBondContact CB-O 3.37Å; S128-I133 PolarHBondContact O-N 3.16Å; S128-I133 PolarHBondContact OG-O 2.98Å; H131-I133 VanDerWaalsContact C-N 3.26Å; H131-I133 HydrophobicContact CB-CG2 4.05Å; H131-I133 PolarHBondContact O-N 3.12Å; I133-V135 HydrophobicContact CG2-CG2 4.11Å
134	E	97.9	Very high	97.9	Very high	18 Å²	18	41.2 Å²	41.2	8%	0.084	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124.6	174.5	-169.9	75.1	-165.7	0	0	110	M1 R2 L3 C95 Y96 V97 R136	M1-E134 WeakPolarHBondContact CA-OE2 3.44Å; M1-E134 HydrophobicContact CE-CG 4.41Å; M1-E134 HydrophobicContact CG-CB 3.84Å; M1-E134 HydrophobicContact CG-CG 3.82Å; R2-E134 PolarHBondContact N-OE2 3.46Å; R2-E134 PolarHBondContact O-N 3.13Å; L3-E134 HydrophobicContact CD2-CB 4.21Å; C95-E134 PolarHBondContact O-N 3.4Å; C95-E134 VanDerWaalsContact O-N 3.13Å; Y96-E134 CarbonylContact C-O 3.18Å; Y96-E134 WeakPolarHBondContact CA-O 3.44Å; Y96-E134 HydrophobicContact CD2-CB 3.77Å; Y96-E134 HydrophobicContact CD2-CG 3.67Å; Y96-E134 HydrophobicContact CE2-CB 4.5Å; Y96-E134 HydrophobicContact CE2-CG 3.91Å; V97-E134 PolarHBondContact N-O 3.36Å; E134-R136 IonicContact OE1-CZ 3.84Å; E134-R136 VanDerWaalsContact OE1-CZ 3.25Å; E134-R136 IonicContact OE1-NE 3.75Å; E134-R136 PolarHBondContact OE1-NE 3.31Å; E134-R136 IonicContact OE1-NH2 3.96Å; E134-R136 PolarHBondContact OE1-NH2 2.84Å
135	V	98.4	Very high	97.8	Very high	17 Å²	17	42.6 Å²	42.6	10%	0.103	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.5	-179.7	-176.7	0	0	0	0	108.8	F84 V85 V97 T99 L124 I133	F84-V135 HydrophobicContact CE1-CG1 4.43Å; V85-V135 HydrophobicContact CG1-CG2 4.42Å; V85-V135 HydrophobicContact CG2-CG2 3.95Å; V97-V135 HydrophobicContact CG1-CB 4.01Å; V97-V135 HydrophobicContact CG1-CG1 3.92Å; V97-V135 HydrophobicContact CG1-CG2 3.62Å; V97-V135 WeakPolarHBondContact O-CA 3.36Å; T99-V135 HydrophobicContact CG2-CG1 4.22Å; L124-V135 HydrophobicContact CB-CG1 4.46Å; L124-V135 HydrophobicContact CD1-CG1 4.13Å; L124-V135 HydrophobicContact CD2-CG1 4.12Å; L124-V135 HydrophobicContact CG-CG1 4.47Å; I133-V135 HydrophobicContact CG2-CG2 4.11Å
136	R	98.6	Very high	97.8	Very high	46 Å²	46	40.4 Å²	40.4	17%	0.174	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	155	175.6	-60.2	-62.7	175.4	121.2	6.2	110.3	Y96 V97 E98 T99 E134 G163 V165 E329	Y96-R136 HydrophobicContact CE2-CG 4.06Å; V97-R136 PolarHBondContact O-N 3.5Å; E98-R136 CarbonylContact C-O 3.57Å; E98-R136 WeakPolarHBondContact CA-O 3.49Å; E98-R136 HydrophobicContact CG-CB 4.25Å; T99-R136 PolarHBondContact N-O 3.3Å; E134-R136 IonicContact OE1-CZ 3.84Å; E134-R136 VanDerWaalsContact OE1-CZ 3.25Å; E134-R136 IonicContact OE1-NE 3.75Å; E134-R136 PolarHBondContact OE1-NE 3.31Å; E134-R136 IonicContact OE1-NH2 3.96Å; E134-R136 PolarHBondContact OE1-NH2 2.84Å; R136-G163 WeakPolarHBondContact CA-O 3.44Å; R136-V165 HydrophobicContact CB-CG1 3.81Å; R136-V165 HydrophobicContact CB-CG2 3.94Å; R136-V165 HydrophobicContact CG-CG1 3.91Å; R136-E329 IonicContact CZ-OE1 3.45Å; R136-E329 IonicContact NH2-OE1 2.73Å; R136-E329 PolarHBondContact NH2-OE1 3.24Å
137	S	98.9	Very high	97.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.3	-178	-65.4	0	0	0	0	111.8	T99 Y101 L121 G163 V164 V165	T99-S137 CarbonylContact O-C 3.42Å; T99-S137 WeakPolarHBondContact O-CA 3.4Å; Y101-S137 WeakPolarHBondContact OH-CB 3.27Å; Y101-S137 PolarHBondContact OH-OG 2.71Å; L121-S137 WeakPolarHBondContact CD2-OG 3.49Å; S137-G163 PolarHBondContact N-O 3.48Å; S137-V164 CarbonylContact O-C 3.47Å; S137-V164 WeakPolarHBondContact O-CA 3.33Å; S137-V165 PolarHBondContact O-N 3.36Å
138	I	99	Very high	97.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130	167.6	-58.8	-176.6	0	0	0	107.6	E98 T99 R100 Y101 V165 A166 D168 T200 R223 F324	E98-I138 HydrophobicContact CB-CD1 3.97Å; E98-I138 HydrophobicContact CB-CG1 4.32Å; T99-I138 PolarHBondContact O-N 2.85Å; R100-I138 VanDerWaalsContact CA-O 3.31Å; R100-I138 WeakPolarHBondContact CA-O 3.25Å; R100-I138 HydrophobicContact CB-CB 3.98Å; R100-I138 HydrophobicContact CB-CG2 4.36Å; Y101-I138 PolarHBondContact N-O 2.8Å; I138-V165 HydrophobicContact CG1-CG2 4.04Å; I138-A166 WeakPolarHBondContact CA-O 3.08Å; I138-A166 HydrophobicContact CB-CB 4.48Å; I138-A166 HydrophobicContact CD1-CB 4.27Å; I138-A166 HydrophobicContact CG1-CB 4.01Å; I138-A166 HydrophobicContact CG2-CB 4.03Å; I138-D168 HydrophobicContact CG2-CB 3.57Å; I138-T200 HydrophobicContact CD1-CG2 4.3Å; I138-T200 HydrophobicContact CG2-CG2 4.21Å; I138-R223 VanDerWaalsContact CD1-NH2 3.34Å; I138-F324 HydrophobicContact CD1-CD2 4.3Å; I138-F324 HydrophobicContact CD1-CE2 4.33Å
139	L	98.9	Very high	97.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.4	-179	-49.9	-173.8	0	0	0	110.2	Y101 P103 L117 T152 L155 A156 V164 A166 I167 D168	Y101-L139 HydrophobicContact CE2-CD2 3.87Å; P103-L139 HydrophobicContact CG-CB 4.45Å; P103-L139 HydrophobicContact CG-CD1 4.43Å; P103-L139 HydrophobicContact CG-CD2 3.92Å; P103-L139 HydrophobicContact CG-CG 4.49Å; L117-L139 HydrophobicContact CD1-CD2 3.74Å; L117-L139 HydrophobicContact CD2-CD1 3.93Å; L139-T152 HydrophobicContact CB-CG2 3.62Å; L139-L155 HydrophobicContact CD1-CB 3.78Å; L139-A156 HydrophobicContact CD1-CB 4.2Å; L139-V164 HydrophobicContact CD1-CG1 4.03Å; L139-V164 HydrophobicContact CD1-CG2 4.46Å; L139-V164 HydrophobicContact CD2-CG1 4.39Å; L139-V164 HydrophobicContact CD2-CG2 4.37Å; L139-V164 HydrophobicContact CG-CG1 3.78Å; L139-V164 HydrophobicContact CG-CG2 4.49Å; L139-A166 PolarHBondContact N-O 3Å; L139-I167 CarbonylContact O-C 3.59Å; L139-I167 VanDerWaalsContact O-CA 3.27Å; L139-I167 WeakPolarHBondContact O-CA 3.5Å; L139-D168 PolarHBondContact O-N 2.73Å
140	S	98.9	Very high	98	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.7	-177.6	-60.6	0	0	0	0	111.8	Y101 C102 D168	Y101-S140 PolarHBondContact O-N 3.31Å; C102-S140 WeakPolarHBondContact CA-O 3.46Å; C102-S140 WeakPolarHBondContact CB-O 3.4Å; C102-S140 PolarHBondContact SG-O 3.06Å; S140-D168 PolarHBondContact OG-OD2 3.06Å
141	I	98.8	Very high	98	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.9	168	-59.1	163.8	0	0	0	107	A149 T152 I167 D168 I169 A170 I185 T188 F189	I141-A149 HydrophobicContact CD1-CB 3.85Å; I141-A149 HydrophobicContact CG1-CB 4.42Å; I141-A149 HydrophobicContact CG2-CB 3.95Å; I141-T152 HydrophobicContact CD1-CG2 4.39Å; I141-T152 HydrophobicContact CG1-CG2 3.69Å; I141-I167 HydrophobicContact CD1-CD1 4.37Å; I141-D168 WeakPolarHBondContact CB-O 3.31Å; I141-D168 PolarHBondContact N-O 3.21Å; I141-I169 WeakPolarHBondContact O-CA 3.29Å; I141-A170 PolarHBondContact O-N 3.44Å; I141-I185 HydrophobicContact CG2-CD1 3.94Å; I141-I185 HydrophobicContact CG2-CG1 4.05Å; I141-T188 HydrophobicContact CD1-CG2 4Å; I141-F189 HydrophobicContact CD1-CE2 4.14Å
142	M	98.2	Very high	98.2	Very high	22 Å²	22	40.9 Å²	40.9	11%	0.108	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133.6	177.5	-58	-51	-67.6	0	0	110.2	C102 L105 H144 M145 A170	C102-M142 HydrophobicContact CB-CG 3.89Å; C102-M142 HydrophobicContact CB-SD 3.82Å; L105-M142 HydrophobicContact CD1-CE 4.16Å; L105-M142 HydrophobicContact CD1-CG 3.83Å; L105-M142 HydrophobicContact CD1-SD 3.9Å; L105-M142 HydrophobicContact CD2-CG 4.48Å; L105-M142 HydrophobicContact CG-CG 4.08Å; M142-H144 PolarHBondContact O-N 3.49Å; M142-M145 HydrophobicContact CB-CB 4.2Å; M142-M145 HydrophobicContact CB-CG 4.28Å; M142-M145 HydrophobicContact CB-SD 4.3Å; M142-M145 HydrophobicContact CG-SD 4.35Å; M142-M145 CarbonylContact O-C 3.57Å; M142-M145 PolarHBondContact O-N 3.07Å; M142-A170 WeakPolarHBondContact CA-O 3.31Å; M142-A170 HydrophobicContact CE-CB 4.44Å; M142-A170 HydrophobicContact SD-CB 4.15Å
143	R	97.2	Very high	98.3	Very high	23 Å²	23	34.5 Å²	34.5	9%	0.087	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-31	177.9	-73.6	178.9	-176.2	-68	0.1	113.7	I169 A170 D172 H202	R143-I169 HydrophobicContact CG-CG2 3.51Å; R143-A170 WeakPolarHBondContact CG-O 3.42Å; R143-A170 PolarHBondContact N-O 3.11Å; R143-D172 WeakPolarHBondContact CD-O 3.39Å; R143-H202 PolarHBondContact NH2-O 3.27Å
144	H	95.8	Very high	98.4	Very high	125 Å²	125	37.3 Å²	37.3	58%	0.579	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	2.7	179.9	64.9	-86.3	0	0	0	114.1	M142 P146	M142-H144 PolarHBondContact O-N 3.49Å; H144-P146 VanDerWaalsContact C-CD 3.44Å
145	M	97.6	Very high	98.4	Very high	36 Å²	36	37.1 Å²	37.1	18%	0.177	18%	0.176	C	C	.	.			trans	-131.5	52.6	176.8	-58.8	172.8	66.1	0	0	111.7	F104 L105 M142 E147 T148	F104-M145 HydrophobicContact CB-CE 4.04Å; L105-M145 HydrophobicContact CD2-SD 3.71Å; M142-M145 HydrophobicContact CB-CB 4.2Å; M142-M145 HydrophobicContact CB-CG 4.28Å; M142-M145 HydrophobicContact CB-SD 4.3Å; M142-M145 HydrophobicContact CG-SD 4.35Å; M142-M145 CarbonylContact O-C 3.57Å; M142-M145 PolarHBondContact O-N 3.07Å; M145-E147 VanDerWaalsContact CA-OE2 3.31Å; M145-E147 WeakPolarHBondContact CA-OE2 3.26Å; M145-E147 PolarHBondContact O-N 3.14Å; M145-E147 VanDerWaalsContact O-N 3.13Å; M145-T148 HydrophobicContact CB-CG2 4.14Å; M145-T148 HydrophobicContact CE-CG2 3.88Å; M145-T148 PolarHBondContact O-N 3.02Å; M145-T148 VanDerWaalsContact O-N 3.08Å; M145-T148 PolarHBondContact O-OG1 3.16Å
146	P	98.1	Very high	98.5	Very high	30 Å²	30	36.4 Å²	36.4	20%	0.195	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-60.2	-23.3	-176.2	27.4	-36.2	0	0	0	113.7	H144 T148 A149 P182 I185	H144-P146 VanDerWaalsContact C-CD 3.44Å; P146-T148 PolarHBondContact O-N 2.77Å; P146-A149 WeakPolarHBondContact O-CB 3.34Å; P146-A149 PolarHBondContact O-N 3.48Å; P146-A149 VanDerWaalsContact O-N 3.1Å; P146-P182 HydrophobicContact CB-CB 3.73Å; P146-P182 HydrophobicContact CB-CG 3.98Å; P146-P182 HydrophobicContact CG-CB 4.29Å; P146-P182 HydrophobicContact CG-CG 4.28Å; P146-I185 HydrophobicContact CB-CD1 4.05Å; P146-I185 HydrophobicContact CB-CG1 4.02Å
147	E	98.4	Very high	98.5	Very high	130 Å²	130	37.8 Å²	37.8	61%	0.607	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-61.4	-23.3	175.7	70.6	-73.7	172.8	0	0	113.3	M145 A149	M145-E147 VanDerWaalsContact CA-OE2 3.31Å; M145-E147 WeakPolarHBondContact CA-OE2 3.26Å; M145-E147 PolarHBondContact O-N 3.14Å; M145-E147 VanDerWaalsContact O-N 3.13Å; E147-A149 VanDerWaalsContact C-N 3.32Å
148	T	98.6	Very high	98.4	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.049	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-82.3	-8.3	177.7	66.3	0	0	0	0	113.7	F104 M145 P146 K150 E151 T152	F104-T148 HydrophobicContact CB-CG2 4.06Å; F104-T148 HydrophobicContact CD1-CG2 3.63Å; F104-T148 HydrophobicContact CD2-CG2 4.1Å; F104-T148 HydrophobicContact CE1-CG2 4.11Å; F104-T148 HydrophobicContact CG-CG2 3.64Å; M145-T148 HydrophobicContact CB-CG2 4.14Å; M145-T148 HydrophobicContact CE-CG2 3.88Å; M145-T148 PolarHBondContact O-N 3.02Å; M145-T148 VanDerWaalsContact O-N 3.08Å; M145-T148 PolarHBondContact O-OG1 3.16Å; P146-T148 PolarHBondContact O-N 2.77Å; T148-K150 PolarHBondContact O-N 3.47Å; T148-E151 PolarHBondContact O-N 2.95Å; T148-T152 WeakPolarHBondContact O-CB 3.28Å; T148-T152 PolarHBondContact O-N 2.84Å; T148-T152 PolarHBondContact O-OG1 3.03Å
149	A	98.8	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-48.4	-170.3	0	0	0	0	0	112.7	I141 P146 E147 E151 T152 L153 I185 T188	I141-A149 HydrophobicContact CD1-CB 3.85Å; I141-A149 HydrophobicContact CG1-CB 4.42Å; I141-A149 HydrophobicContact CG2-CB 3.95Å; P146-A149 WeakPolarHBondContact O-CB 3.34Å; P146-A149 PolarHBondContact O-N 3.48Å; P146-A149 VanDerWaalsContact O-N 3.1Å; E147-A149 VanDerWaalsContact C-N 3.32Å; A149-E151 PolarHBondContact O-N 2.89Å; A149-T152 WeakPolarHBondContact O-CB 3.45Å; A149-T152 PolarHBondContact O-N 3.35Å; A149-L153 PolarHBondContact O-N 2.84Å; A149-I185 HydrophobicContact CB-CG1 4.08Å; A149-T188 HydrophobicContact CB-CG2 4.16Å; A149-T188 WeakPolarHBondContact CB-OG1 3.04Å; A149-T188 VanDerWaalsContact O-CG2 3.31Å; A149-T188 WeakPolarHBondContact O-CG2 3.41Å
150	K	98.7	Very high	98.4	Very high	145 Å²	145	48.2 Å²	48.2	63%	0.63	23%	0.23	S	C	*	.	H	α-helix	trans	-62	-47.4	-178.8	-176	-174.9	172.4	-165	0	111.6	T148 T152 L153 D154	T148-K150 PolarHBondContact O-N 3.47Å; K150-T152 VanDerWaalsContact C-N 3.33Å; K150-T152 PolarHBondContact O-N 3.33Å; K150-L153 PolarHBondContact O-N 2.98Å; K150-D154 PolarHBondContact O-N 3.06Å
151	E	98.7	Very high	98.3	Very high	117 Å²	117	53.5 Å²	53.5	55%	0.547	26%	0.264	S	S	.	.	H	α-helix	trans	-67.6	-35.1	-179.9	-66.9	-173.6	-177.8	0	0	111.6	F104 T148 A149 L153 D154 L155	F104-E151 HydrophobicContact CE1-CB 4.33Å; F104-E151 WeakPolarHBondContact CE1-OE2 3.34Å; F104-E151 HydrophobicContact CE2-CB 4.44Å; F104-E151 HydrophobicContact CZ-CB 3.57Å; T148-E151 PolarHBondContact O-N 2.95Å; A149-E151 PolarHBondContact O-N 2.89Å; E151-L153 VanDerWaalsContact C-N 3.33Å; E151-L153 PolarHBondContact O-N 3.3Å; E151-D154 PolarHBondContact O-N 3.49Å; E151-L155 WeakPolarHBondContact O-CG 3.49Å; E151-L155 PolarHBondContact O-N 2.98Å
152	T	98.9	Very high	98.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-43.6	172.9	-58.1	0	0	0	0	111.5	F104 L139 I141 T148 A149 K150 L155 A156 I167	F104-T152 WeakPolarHBondContact CE2-OG1 3.29Å; L139-T152 HydrophobicContact CB-CG2 3.62Å; I141-T152 HydrophobicContact CD1-CG2 4.39Å; I141-T152 HydrophobicContact CG1-CG2 3.69Å; T148-T152 WeakPolarHBondContact O-CB 3.28Å; T148-T152 PolarHBondContact O-N 2.84Å; T148-T152 PolarHBondContact O-OG1 3.03Å; A149-T152 WeakPolarHBondContact O-CB 3.45Å; A149-T152 PolarHBondContact O-N 3.35Å; K150-T152 VanDerWaalsContact C-N 3.33Å; K150-T152 PolarHBondContact O-N 3.33Å; T152-L155 PolarHBondContact O-N 3.11Å; T152-A156 PolarHBondContact O-N 3.02Å; T152-I167 HydrophobicContact CG2-CG2 4.34Å
153	L	98.9	Very high	98.2	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-39.3	175	174	61	0	0	0	112.4	A149 K150 E151 L155 A156 K157 I167 T188 N191 A192 I197	A149-L153 PolarHBondContact O-N 2.84Å; K150-L153 PolarHBondContact O-N 2.98Å; E151-L153 VanDerWaalsContact C-N 3.33Å; E151-L153 PolarHBondContact O-N 3.3Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-A156 PolarHBondContact O-N 2.82Å; L153-K157 HydrophobicContact CD1-CD 4.47Å; L153-K157 HydrophobicContact CD1-CG 4.24Å; L153-K157 HydrophobicContact CG-CD 4.33Å; L153-K157 WeakPolarHBondContact O-CG 3.4Å; L153-K157 PolarHBondContact O-N 3.3Å; L153-I167 HydrophobicContact CD1-CD1 4.46Å; L153-T188 HydrophobicContact CB-CG2 3.66Å; L153-T188 HydrophobicContact CD2-CG2 3.95Å; L153-T188 WeakPolarHBondContact CD2-O 3.46Å; L153-T188 HydrophobicContact CG-CG2 4.39Å; L153-N191 HydrophobicContact CD2-CB 3.66Å; L153-A192 HydrophobicContact CD1-CB 3.74Å; L153-A192 HydrophobicContact CD2-CB 4.39Å; L153-I197 HydrophobicContact CD1-CB 4.16Å; L153-I197 HydrophobicContact CD1-CG1 4.02Å; L153-I197 HydrophobicContact CD1-CG2 4.19Å
154	D	98.8	Very high	98.3	Very high	60 Å²	60	57.9 Å²	57.9	32%	0.321	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-39.6	177.5	-70.5	-20.7	0	0	0	111.1	K150 E151 K157 N158	K150-D154 PolarHBondContact O-N 3.06Å; E151-D154 PolarHBondContact O-N 3.49Å; D154-K157 PolarHBondContact O-N 3.13Å; D154-K157 IonicContact OD1-NZ 3.9Å; D154-N158 WeakPolarHBondContact O-CB 3.24Å; D154-N158 PolarHBondContact O-N 2.89Å; D154-N158 PolarHBondContact O-ND2 3.3Å
155	L	98.9	Very high	98.4	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.073	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-47.8	168.6	-69.6	176.1	0	0	0	111.4	F104 A113 E114 L117 L139 E151 T152 L153 K157 N158 Y159	F104-L155 HydrophobicContact CE2-CD1 4.34Å; F104-L155 HydrophobicContact CZ-CD1 4.49Å; A113-L155 HydrophobicContact CB-CD1 4.06Å; E114-L155 HydrophobicContact CB-CD2 3.79Å; E114-L155 HydrophobicContact CG-CD2 3.79Å; L117-L155 HydrophobicContact CD2-CB 3.87Å; L117-L155 HydrophobicContact CD2-CD1 4.39Å; L117-L155 HydrophobicContact CD2-CD2 4.17Å; L117-L155 HydrophobicContact CD2-CG 4.37Å; L139-L155 HydrophobicContact CD1-CB 3.78Å; E151-L155 WeakPolarHBondContact O-CG 3.49Å; E151-L155 PolarHBondContact O-N 2.98Å; T152-L155 PolarHBondContact O-N 3.11Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L155-K157 VanDerWaalsContact C-N 3.31Å; L155-K157 PolarHBondContact O-N 3.42Å; L155-N158 PolarHBondContact O-N 2.68Å; L155-Y159 HydrophobicContact CD2-CD2 4.3Å; L155-Y159 HydrophobicContact CD2-CE2 4.07Å; L155-Y159 WeakPolarHBondContact O-CB 3.44Å; L155-Y159 VanDerWaalsContact O-CD2 3.29Å; L155-Y159 WeakPolarHBondContact O-CD2 3.37Å; L155-Y159 PolarHBondContact O-N 2.81Å
156	A	98.9	Very high	98.5	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-40.3	-179.8	0	0	0	0	0	112.9	L139 T152 L153 Q160 V164 I167 I197	L139-A156 HydrophobicContact CD1-CB 4.2Å; T152-A156 PolarHBondContact O-N 3.02Å; L153-A156 PolarHBondContact O-N 2.82Å; A156-Q160 PolarHBondContact O-N 3.26Å; A156-Q160 VanDerWaalsContact O-N 3.1Å; A156-V164 HydrophobicContact CB-CG1 3.91Å; A156-I167 HydrophobicContact CB-CG2 3.61Å; A156-I197 HydrophobicContact CB-CG2 4.1Å
157	K	98.7	Very high	98.5	Very high	75 Å²	75	49.3 Å²	49.3	33%	0.326	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-48.8	174.6	-69.9	168.1	-176	160.5	0	112.1	L153 D154 L155 Y159 A195 I197	L153-K157 HydrophobicContact CD1-CD 4.47Å; L153-K157 HydrophobicContact CD1-CG 4.24Å; L153-K157 HydrophobicContact CG-CD 4.33Å; L153-K157 WeakPolarHBondContact O-CG 3.4Å; L153-K157 PolarHBondContact O-N 3.3Å; D154-K157 PolarHBondContact O-N 3.13Å; D154-K157 IonicContact OD1-NZ 3.9Å; L155-K157 VanDerWaalsContact C-N 3.31Å; L155-K157 PolarHBondContact O-N 3.42Å; K157-Y159 VanDerWaalsContact C-N 3.29Å; K157-Y159 PolarHBondContact O-N 3.3Å; K157-A195 HydrophobicContact CD-CB 4.38Å; K157-A195 HydrophobicContact CG-CB 4.37Å; K157-I197 HydrophobicContact CG-CD1 4.16Å; K157-I197 HydrophobicContact CG-CG1 3.93Å
158	N	98.7	Very high	98.6	Very high	106 Å²	106	43.1 Å²	43.1	57%	0.567	22%	0.216	S	C	*	.	H	α-helix	trans	-67.7	-31.4	-175.5	-69.4	-20.1	0	0	0	112.3	D154 L155	D154-N158 WeakPolarHBondContact O-CB 3.24Å; D154-N158 PolarHBondContact O-N 2.89Å; D154-N158 PolarHBondContact O-ND2 3.3Å; L155-N158 PolarHBondContact O-N 2.68Å
159	Y	98.7	Very high	98.6	Very high	27 Å²	27	42.7 Å²	42.7	11%	0.106	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	10.1	-176	-68.7	-81.6	0	0	0	114.3	E114 L117 K118 L121 L155 K157 H162 G163 V164	E114-Y159 HydrophobicContact CG-CE2 3.85Å; E114-Y159 PolarHBondContact OE1-OH 2.83Å; L117-Y159 HydrophobicContact CD2-CD2 3.48Å; L117-Y159 VanDerWaalsContact CD2-CD2 3.48Å; L117-Y159 HydrophobicContact CD2-CE2 4.18Å; L117-Y159 HydrophobicContact CD2-CG 3.74Å; L117-Y159 HydrophobicContact CG-CD2 4.41Å; L117-Y159 HydrophobicContact CG-CG 4.37Å; K118-Y159 WeakPolarHBondContact CE-OH 3.37Å; K118-Y159 HydrophobicContact CG-CE1 4.01Å; K118-Y159 PolarHBondContact NZ-OH 3.26Å; L121-Y159 HydrophobicContact CD1-CD1 3.68Å; L121-Y159 HydrophobicContact CD1-CG 4Å; L155-Y159 HydrophobicContact CD2-CD2 4.3Å; L155-Y159 HydrophobicContact CD2-CE2 4.07Å; L155-Y159 WeakPolarHBondContact O-CB 3.44Å; L155-Y159 VanDerWaalsContact O-CD2 3.29Å; L155-Y159 WeakPolarHBondContact O-CD2 3.37Å; L155-Y159 PolarHBondContact O-N 2.81Å; K157-Y159 VanDerWaalsContact C-N 3.29Å; K157-Y159 PolarHBondContact O-N 3.3Å; Y159-H162 HydrophobicContact CD1-CB 4.23Å; Y159-H162 CarbonylContact O-C 3.6Å; Y159-H162 WeakPolarHBondContact O-CA 3.22Å; Y159-H162 WeakPolarHBondContact O-CB 2.73Å; Y159-H162 PolarHBondContact O-N 2.88Å; Y159-G163 PolarHBondContact O-N 3.46Å; Y159-V164 PolarHBondContact O-N 3.27Å
160	Q	98.2	Very high	98.5	Very high	89 Å²	89	42.9 Å²	42.9	42%	0.416	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-54.8	-44.3	173.9	-173.1	-176.9	70.5	0	0	113.1	A156 H162 G163 V164	A156-Q160 PolarHBondContact O-N 3.26Å; A156-Q160 VanDerWaalsContact O-N 3.1Å; Q160-H162 PolarHBondContact O-N 3.02Å; Q160-H162 VanDerWaalsContact O-N 3.07Å; Q160-G163 PolarHBondContact O-N 2.9Å; Q160-V164 WeakPolarHBondContact CA-O 3.37Å
161	P	97	Very high	98.4	Very high	112 Å²	112	36.7 Å²	36.7	73%	0.727	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-64	-14.6	175.9	-21.6	34.6	0	0	0	114.1
162	H	97.9	Very high	98.3	Very high	125 Å²	125	33.1 Å²	33.1	58%	0.579	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-104	8.3	-174.1	-61.4	-84.8	0	0	0	113.1	L121 Y159 Q160	L121-H162 HydrophobicContact CD1-CB 4Å; Y159-H162 HydrophobicContact CD1-CB 4.23Å; Y159-H162 CarbonylContact O-C 3.6Å; Y159-H162 WeakPolarHBondContact O-CA 3.22Å; Y159-H162 WeakPolarHBondContact O-CB 2.73Å; Y159-H162 PolarHBondContact O-N 2.88Å; Q160-H162 PolarHBondContact O-N 3.02Å; Q160-H162 VanDerWaalsContact O-N 3.07Å
163	G	97.5	Very high	98.2	Very high	10 Å²	10	33.2 Å²	33.2	10%	0.103	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.6	1.8	173.9	0	0	0	0	0	115.3	R136 S137 Y159 Q160	R136-G163 WeakPolarHBondContact CA-O 3.44Å; S137-G163 PolarHBondContact N-O 3.48Å; Y159-G163 PolarHBondContact O-N 3.46Å; Q160-G163 PolarHBondContact O-N 2.9Å
164	V	98.8	Very high	98.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.5	169.1	-178.2	0	0	0	0	109.6	L117 L121 S137 L139 A156 Y159 Q160	L117-V164 HydrophobicContact CD1-CG2 4.17Å; L117-V164 HydrophobicContact CD2-CG2 4.48Å; L121-V164 HydrophobicContact CD1-CG2 4.1Å; L121-V164 HydrophobicContact CD2-CG2 4.07Å; S137-V164 CarbonylContact O-C 3.47Å; S137-V164 WeakPolarHBondContact O-CA 3.33Å; L139-V164 HydrophobicContact CD1-CG1 4.03Å; L139-V164 HydrophobicContact CD1-CG2 4.46Å; L139-V164 HydrophobicContact CD2-CG1 4.39Å; L139-V164 HydrophobicContact CD2-CG2 4.37Å; L139-V164 HydrophobicContact CG-CG1 3.78Å; L139-V164 HydrophobicContact CG-CG2 4.49Å; A156-V164 HydrophobicContact CB-CG1 3.91Å; Y159-V164 PolarHBondContact O-N 3.27Å; Q160-V164 WeakPolarHBondContact CA-O 3.37Å
165	V	98.7	Very high	97.9	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.067	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-26.4	-173.1	-65.4	0	0	0	0	113.6	R136 S137 I138 H198 F324	R136-V165 HydrophobicContact CB-CG1 3.81Å; R136-V165 HydrophobicContact CB-CG2 3.94Å; R136-V165 HydrophobicContact CG-CG1 3.91Å; S137-V165 PolarHBondContact O-N 3.36Å; I138-V165 HydrophobicContact CG1-CG2 4.04Å; V165-H198 WeakPolarHBondContact O-CB 3.29Å; V165-H198 PolarHBondContact O-CD2 3.47Å; V165-F324 HydrophobicContact CB-CB 3.85Å; V165-F324 WeakPolarHBondContact CG1-O 3.36Å; V165-F324 HydrophobicContact CG2-CB 3.89Å; V165-F324 HydrophobicContact CG2-CD2 4.26Å
166	A	98.9	Very high	97.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	168.7	-174.9	0	0	0	0	0	113.1	I138 L139 H198 F324	I138-A166 WeakPolarHBondContact CA-O 3.08Å; I138-A166 HydrophobicContact CB-CB 4.48Å; I138-A166 HydrophobicContact CD1-CB 4.27Å; I138-A166 HydrophobicContact CG1-CB 4.01Å; I138-A166 HydrophobicContact CG2-CB 4.03Å; L139-A166 PolarHBondContact N-O 3Å; A166-H198 CarbonylContact C-O 3.58Å; A166-H198 WeakPolarHBondContact CA-O 3.33Å; A166-H198 HydrophobicContact CB-CB 3.76Å; A166-H198 VanDerWaalsContact CB-O 3.32Å; A166-H198 WeakPolarHBondContact CB-O 3.27Å; A166-F324 HydrophobicContact CB-CD2 3.55Å; A166-F324 HydrophobicContact CB-CE2 3.53Å
167	I	98.9	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	157.5	159.5	61.1	168.3	0	0	0	110.6	L139 I141 T152 L153 A156 T188 F189 A192 I197 H198 R199 T200	L139-I167 CarbonylContact O-C 3.59Å; L139-I167 VanDerWaalsContact O-CA 3.27Å; L139-I167 WeakPolarHBondContact O-CA 3.5Å; I141-I167 HydrophobicContact CD1-CD1 4.37Å; T152-I167 HydrophobicContact CG2-CG2 4.34Å; L153-I167 HydrophobicContact CD1-CD1 4.46Å; A156-I167 HydrophobicContact CB-CG2 3.61Å; I167-T188 HydrophobicContact CD1-CG2 4.08Å; I167-F189 HydrophobicContact CD1-CD2 3.84Å; I167-F189 HydrophobicContact CD1-CE2 3.71Å; I167-F189 HydrophobicContact CD1-CG 4.39Å; I167-F189 HydrophobicContact CD1-CZ 4.17Å; I167-F189 HydrophobicContact CG1-CE2 4.22Å; I167-F189 HydrophobicContact CG1-CZ 4.2Å; I167-A192 HydrophobicContact CD1-CB 3.59Å; I167-A192 HydrophobicContact CG1-CB 4.15Å; I167-I197 HydrophobicContact CG1-CG2 4.47Å; I167-I197 HydrophobicContact CG2-CG2 4.19Å; I167-H198 PolarHBondContact N-O 2.83Å; I167-R199 HydrophobicContact CG1-CG 4.26Å; I167-R199 WeakPolarHBondContact O-CA 3.27Å; I167-T200 PolarHBondContact O-N 2.82Å
168	D	98.9	Very high	97.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	163.7	-178.8	170.2	51.6	0	0	0	112.2	I138 L139 S140 I141 T200 V201 H202	I138-D168 HydrophobicContact CG2-CB 3.57Å; L139-D168 PolarHBondContact O-N 2.73Å; S140-D168 PolarHBondContact OG-OD2 3.06Å; I141-D168 WeakPolarHBondContact CB-O 3.31Å; I141-D168 PolarHBondContact N-O 3.21Å; D168-T200 VanDerWaalsContact CA-O 3.29Å; D168-T200 WeakPolarHBondContact CA-O 3.43Å; D168-T200 HydrophobicContact CB-CG2 3.7Å; D168-V201 WeakPolarHBondContact OD1-CA 3.21Å; D168-H202 IonicContact OD1-CE1 3.73Å; D168-H202 IonicContact OD1-ND1 3.91Å; D168-H202 PolarHBondContact OD1-ND1 3.16Å; D168-H202 IonicContact OD2-CE1 3.02Å; D168-H202 PolarHBondContact OD2-CE1 2.88Å; D168-H202 IonicContact OD2-ND1 2.98Å; D168-H202 PolarHBondContact OD2-ND1 2.82Å
169	I	98.6	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.7	164.1	-60.9	158.6	0	0	0	108.4	I141 R143 I185 F189 V201 H202 L219	I141-I169 WeakPolarHBondContact O-CA 3.29Å; R143-I169 HydrophobicContact CG-CG2 3.51Å; I169-I185 HydrophobicContact CD1-CG2 3.32Å; I169-I185 HydrophobicContact CG1-CG2 3.7Å; I169-F189 HydrophobicContact CD1-CD2 4.19Å; I169-F189 HydrophobicContact CD1-CE1 4.19Å; I169-F189 HydrophobicContact CD1-CE2 3.59Å; I169-F189 HydrophobicContact CD1-CZ 3.61Å; I169-F189 HydrophobicContact CG1-CD2 4.45Å; I169-F189 HydrophobicContact CG1-CE1 4.48Å; I169-F189 HydrophobicContact CG1-CE2 3.46Å; I169-F189 VanDerWaalsContact CG1-CE2 3.46Å; I169-F189 HydrophobicContact CG1-CZ 3.49Å; I169-F189 VanDerWaalsContact CG1-CZ 3.49Å; I169-V201 HydrophobicContact CB-CG1 4.23Å; I169-V201 HydrophobicContact CD1-CG1 4.25Å; I169-V201 HydrophobicContact CD1-CG2 4.08Å; I169-H202 WeakPolarHBondContact O-CB 3.48Å; I169-H202 PolarHBondContact O-N 2.8Å; I169-H202 PolarHBondContact O-ND1 3.2Å; I169-H202 VanDerWaalsContact O-ND1 3.12Å; I169-L219 HydrophobicContact CD1-CD1 3.56Å
170	A	97.8	Very high	96.9	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.033	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	171.9	-178.8	0	0	0	0	0	112.7	I141 M142 R143	I141-A170 PolarHBondContact O-N 3.44Å; M142-A170 WeakPolarHBondContact CA-O 3.31Å; M142-A170 HydrophobicContact CE-CB 4.44Å; M142-A170 HydrophobicContact SD-CB 4.15Å; R143-A170 WeakPolarHBondContact CG-O 3.42Å; R143-A170 PolarHBondContact N-O 3.11Å
171	G	96.2	Very high	96.8	Very high	14 Å²	14	51.8 Å²	51.8	14%	0.144	26%	0.259	C	S	.	.	S	Bend	trans	96.5	176.5	-174.3	0	0	0	0	0	112.7	D173	G171-D173 PolarHBondContact O-N 3.48Å
172	D	96.4	Very high	96.8	Very high	43 Å²	43	48.4 Å²	48.4	23%	0.23	24%	0.237	C	C	.	.			trans	-55.2	107.7	-171.5	-171.3	-11.1	0	0	0	112.3	L60 R143 S174 V175	L60-D172 HydrophobicContact CD1-CB 4Å; R143-D172 WeakPolarHBondContact CD-O 3.39Å; D172-S174 VanDerWaalsContact C-N 3.28Å; D172-S174 PolarHBondContact O-N 2.79Å; D172-S174 WeakPolarHBondContact OD1-CB 3.49Å; D172-S174 PolarHBondContact OD1-N 3.41Å; D172-S174 PolarHBondContact OD1-OG 2.6Å; D172-S174 PolarHBondContact OD2-OG 3.03Å; D172-V175 WeakPolarHBondContact O-CG2 3.47Å
173	D	96.9	Very high	96.8	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.011	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-80.8	-7.2	179.9	74.8	-27.3	0	0	0	112.6	G171 V175 L176 V203 G204 E205 N206 S207	G171-D173 PolarHBondContact O-N 3.48Å; D173-V175 PolarHBondContact O-N 3.04Å; D173-V175 VanDerWaalsContact O-N 3.09Å; D173-L176 VanDerWaalsContact O-CB 3.26Å; D173-L176 WeakPolarHBondContact O-CB 3.46Å; D173-L176 WeakPolarHBondContact O-CG 3.32Å; D173-L176 PolarHBondContact O-N 2.97Å; D173-V203 WeakPolarHBondContact OD2-CA 3.22Å; D173-G204 PolarHBondContact OD2-N 3.33Å; D173-E205 PolarHBondContact OD2-N 3.46Å; D173-N206 VanDerWaalsContact OD1-CA 3.29Å; D173-N206 WeakPolarHBondContact OD1-CA 3.26Å; D173-N206 VanDerWaalsContact OD1-CB 3.29Å; D173-N206 WeakPolarHBondContact OD1-CB 3.46Å; D173-N206 PolarHBondContact OD1-N 2.57Å; D173-N206 PolarHBondContact OD2-N 3.23Å; D173-S207 WeakPolarHBondContact O-CB 3.32Å; D173-S207 PolarHBondContact OD1-N 3.04Å; D173-S207 WeakPolarHBondContact OD2-CB 3.4Å; D173-S207 PolarHBondContact OD2-N 3.47Å; D173-S207 PolarHBondContact OD2-OG 3.25Å
174	S	96.4	Very high	96.9	Very high	34 Å²	34	53.2 Å²	53.2	24%	0.238	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-61	-22.6	177.3	73.6	0	0	0	0	113.1	D172 L176 K177	D172-S174 VanDerWaalsContact C-N 3.28Å; D172-S174 PolarHBondContact O-N 2.79Å; D172-S174 WeakPolarHBondContact OD1-CB 3.49Å; D172-S174 PolarHBondContact OD1-N 3.41Å; D172-S174 PolarHBondContact OD1-OG 2.6Å; D172-S174 PolarHBondContact OD2-OG 3.03Å; S174-L176 PolarHBondContact O-N 3.26Å; S174-L176 VanDerWaalsContact O-N 3.16Å; S174-K177 VanDerWaalsContact O-CB 3.32Å; S174-K177 WeakPolarHBondContact O-CB 3.44Å; S174-K177 VanDerWaalsContact O-CG 3.31Å; S174-K177 WeakPolarHBondContact O-CG 3.19Å; S174-K177 PolarHBondContact O-N 2.89Å
175	V	95.6	Very high	96.8	Very high	58 Å²	58	53.1 Å²	53.1	35%	0.352	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-55.9	-28.9	171.5	-57.8	0	0	0	0	112	D172 D173 K177 H178 Q179	D172-V175 WeakPolarHBondContact O-CG2 3.47Å; D173-V175 PolarHBondContact O-N 3.04Å; D173-V175 VanDerWaalsContact O-N 3.09Å; V175-K177 PolarHBondContact O-N 3.28Å; V175-H178 PolarHBondContact O-N 2.95Å; V175-Q179 WeakPolarHBondContact O-CB 3.39Å; V175-Q179 PolarHBondContact O-N 3.24Å
176	L	96.3	Very high	96.8	Very high	18 Å²	18	54.1 Å²	54.1	9%	0.094	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-71.9	-9	179.5	-59.4	-177	0	0	0	114	D173 S174 H178 Q179 V181 V203	D173-L176 VanDerWaalsContact O-CB 3.26Å; D173-L176 WeakPolarHBondContact O-CB 3.46Å; D173-L176 WeakPolarHBondContact O-CG 3.32Å; D173-L176 PolarHBondContact O-N 2.97Å; S174-L176 PolarHBondContact O-N 3.26Å; S174-L176 VanDerWaalsContact O-N 3.16Å; L176-H178 PolarHBondContact O-N 3.22Å; L176-Q179 VanDerWaalsContact CA-O 3.3Å; L176-Q179 WeakPolarHBondContact CA-O 3.45Å; L176-V181 HydrophobicContact CD2-CG2 3.87Å; L176-V203 HydrophobicContact CD1-CG2 3.99Å
177	K	94.6	Very high	96.8	Very high	115 Å²	115	58.3 Å²	58.3	50%	0.5	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-64.4	-26	169.3	-66.5	-179.2	-169.6	-177.7	0	112.4	S174 V175 N206	S174-K177 VanDerWaalsContact O-CB 3.32Å; S174-K177 WeakPolarHBondContact O-CB 3.44Å; S174-K177 VanDerWaalsContact O-CG 3.31Å; S174-K177 WeakPolarHBondContact O-CG 3.19Å; S174-K177 PolarHBondContact O-N 2.89Å; V175-K177 PolarHBondContact O-N 3.28Å; K177-N206 WeakPolarHBondContact CE-O 3.48Å; K177-N206 PolarHBondContact NZ-O 3.39Å
178	H	93.7	Very high	96.8	Very high	169 Å²	169	58.7 Å²	58.7	78%	0.782	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	-10.2	-169.9	-53.9	-47.7	0	0	0	113.2	V175 L176	V175-H178 PolarHBondContact O-N 2.95Å; L176-H178 PolarHBondContact O-N 3.22Å
179	Q	93.9	Very high	96.8	Very high	133 Å²	133	58.7 Å²	58.7	62%	0.621	29%	0.285	S	S	*	.	S	Bend	trans	-137.9	154.4	-174.3	-56.2	-178.2	17.2	0	0	110.1	V175 L176	V175-Q179 WeakPolarHBondContact O-CB 3.39Å; V175-Q179 PolarHBondContact O-N 3.24Å; L176-Q179 VanDerWaalsContact CA-O 3.3Å; L176-Q179 WeakPolarHBondContact CA-O 3.45Å
180	R	94.1	Very high	96.8	Very high	215 Å²	215	61.4 Å²	61.4	81%	0.811	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-85.5	164.1	170	-66.3	-177.9	178.3	178.9	-1.3	109.9
181	V	96.8	Very high	96.8	Very high	24 Å²	24	64.1 Å²	64.1	15%	0.145	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-57.7	131.7	167.5	-179.7	0	0	0	0	108.7	L176 I185 V186 L219	L176-V181 HydrophobicContact CD2-CG2 3.87Å; V181-I185 HydrophobicContact CG1-CB 3.81Å; V181-I185 HydrophobicContact CG1-CG2 3.66Å; V181-V186 HydrophobicContact CB-CG2 4.13Å; V181-V186 HydrophobicContact CG1-CG2 4Å; V181-L219 HydrophobicContact CG1-CD1 4.45Å; V181-L219 HydrophobicContact CG1-CD2 4.38Å; V181-L219 HydrophobicContact CG2-CD1 4.32Å
182	P	96.8	Very high	97	Very high	40 Å²	40	63.4 Å²	63.4	26%	0.26	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-52.4	140.2	176.5	-29	35.3	0	0	0	112.7	P146 E184 I185 V186	P146-P182 HydrophobicContact CB-CB 3.73Å; P146-P182 HydrophobicContact CB-CG 3.98Å; P146-P182 HydrophobicContact CG-CB 4.29Å; P146-P182 HydrophobicContact CG-CG 4.28Å; P182-E184 PolarHBondContact O-N 3.18Å; P182-I185 HydrophobicContact CB-CD1 4.48Å; P182-I185 HydrophobicContact CB-CG1 4.42Å; P182-I185 HydrophobicContact CG-CD1 4.28Å; P182-I185 WeakPolarHBondContact O-CB 3.43Å; P182-I185 PolarHBondContact O-N 2.95Å; P182-V186 PolarHBondContact O-N 3.47Å; P182-V186 VanDerWaalsContact O-N 3.09Å
183	E	97.6	Very high	97.1	Very high	127 Å²	127	65.9 Å²	65.9	59%	0.593	31%	0.313	S	S	*	.	H	α-helix	trans	-60.3	-33.1	-175.7	-172.9	60.3	-151.4	0	0	111.8	I185 V186 Q187	E183-I185 VanDerWaalsContact C-N 3.28Å; E183-I185 PolarHBondContact O-N 2.89Å; E183-V186 PolarHBondContact O-N 3.22Å; E183-Q187 WeakPolarHBondContact O-CB 3.49Å; E183-Q187 PolarHBondContact O-N 3.07Å
184	E	98	Very high	97.2	Very high	109 Å²	109	72.9 Å²	72.9	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-58.8	-40.5	175	-62.7	83.4	174.6	0	0	111.9	P182 T188	P182-E184 PolarHBondContact O-N 3.18Å; E184-T188 VanDerWaalsContact O-CB 3.28Å; E184-T188 WeakPolarHBondContact O-CB 2.91Å; E184-T188 PolarHBondContact O-N 3.26Å; E184-T188 PolarHBondContact O-OG1 3.29Å
185	I	98.6	Very high	97.2	Very high	0 Å²	0	73 Å²	73	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-72.7	-44.4	177.5	-64.4	-178.9	0	0	0	110	I141 P146 A149 I169 V181 P182 E183 Q187 T188 F189	I141-I185 HydrophobicContact CG2-CD1 3.94Å; I141-I185 HydrophobicContact CG2-CG1 4.05Å; P146-I185 HydrophobicContact CB-CD1 4.05Å; P146-I185 HydrophobicContact CB-CG1 4.02Å; A149-I185 HydrophobicContact CB-CG1 4.08Å; I169-I185 HydrophobicContact CD1-CG2 3.32Å; I169-I185 HydrophobicContact CG1-CG2 3.7Å; V181-I185 HydrophobicContact CG1-CB 3.81Å; V181-I185 HydrophobicContact CG1-CG2 3.66Å; P182-I185 HydrophobicContact CB-CD1 4.48Å; P182-I185 HydrophobicContact CB-CG1 4.42Å; P182-I185 HydrophobicContact CG-CD1 4.28Å; P182-I185 WeakPolarHBondContact O-CB 3.43Å; P182-I185 PolarHBondContact O-N 2.95Å; E183-I185 VanDerWaalsContact C-N 3.28Å; E183-I185 PolarHBondContact O-N 2.89Å; I185-Q187 PolarHBondContact O-N 3.27Å; I185-T188 WeakPolarHBondContact O-CB 3.49Å; I185-T188 PolarHBondContact O-N 3.13Å; I185-T188 VanDerWaalsContact O-N 3.15Å; I185-F189 HydrophobicContact CG2-CD2 4.02Å; I185-F189 HydrophobicContact CG2-CE2 4.13Å; I185-F189 WeakPolarHBondContact O-CD2 3.5Å; I185-F189 PolarHBondContact O-N 3.41Å
186	V	98.4	Very high	97.3	Very high	32 Å²	32	76.4 Å²	76.4	19%	0.194	36%	0.362	C	S	.	.	H	α-helix	trans	-56.1	-51.6	176.8	177.2	0	0	0	0	110.5	V181 P182 E183 T188 F189 E190 L219	V181-V186 HydrophobicContact CB-CG2 4.13Å; V181-V186 HydrophobicContact CG1-CG2 4Å; P182-V186 PolarHBondContact O-N 3.47Å; P182-V186 VanDerWaalsContact O-N 3.09Å; E183-V186 PolarHBondContact O-N 3.22Å; V186-T188 VanDerWaalsContact C-N 3.26Å; V186-T188 PolarHBondContact O-N 2.97Å; V186-F189 PolarHBondContact O-N 3.45Å; V186-E190 PolarHBondContact O-N 3.41Å; V186-L219 HydrophobicContact CB-CD2 4.27Å; V186-L219 HydrophobicContact CG1-CD2 4.47Å; V186-L219 HydrophobicContact CG2-CD2 3.94Å
187	Q	98.5	Very high	97.5	Very high	88 Å²	88	75.7 Å²	75.7	41%	0.411	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-33.3	179.4	-174.9	56.4	87.3	0	0	112.2	E183 I185 N191	E183-Q187 WeakPolarHBondContact O-CB 3.49Å; E183-Q187 PolarHBondContact O-N 3.07Å; I185-Q187 PolarHBondContact O-N 3.27Å; Q187-N191 PolarHBondContact NE2-OD1 3.14Å; Q187-N191 WeakPolarHBondContact O-CB 3.44Å; Q187-N191 PolarHBondContact O-N 3.42Å; Q187-N191 PolarHBondContact O-ND2 3.45Å; Q187-N191 VanDerWaalsContact O-ND2 3.11Å
188	T	98.8	Very high	97.7	Very high	8 Å²	8	72.9 Å²	72.9	5%	0.049	35%	0.347	C	S	.	.	H	α-helix	trans	-65.5	-45.6	174.4	-64.1	0	0	0	0	111.2	I141 A149 L153 I167 E184 I185 V186 E190 N191 A192	I141-T188 HydrophobicContact CD1-CG2 4Å; A149-T188 HydrophobicContact CB-CG2 4.16Å; A149-T188 WeakPolarHBondContact CB-OG1 3.04Å; A149-T188 VanDerWaalsContact O-CG2 3.31Å; A149-T188 WeakPolarHBondContact O-CG2 3.41Å; L153-T188 HydrophobicContact CB-CG2 3.66Å; L153-T188 HydrophobicContact CD2-CG2 3.95Å; L153-T188 WeakPolarHBondContact CD2-O 3.46Å; L153-T188 HydrophobicContact CG-CG2 4.39Å; I167-T188 HydrophobicContact CD1-CG2 4.08Å; E184-T188 VanDerWaalsContact O-CB 3.28Å; E184-T188 WeakPolarHBondContact O-CB 2.91Å; E184-T188 PolarHBondContact O-N 3.26Å; E184-T188 PolarHBondContact O-OG1 3.29Å; I185-T188 WeakPolarHBondContact O-CB 3.49Å; I185-T188 PolarHBondContact O-N 3.13Å; I185-T188 VanDerWaalsContact O-N 3.15Å; V186-T188 VanDerWaalsContact C-N 3.26Å; V186-T188 PolarHBondContact O-N 2.97Å; T188-E190 PolarHBondContact O-N 3.33Å; T188-N191 CarbonylContact O-C 3.51Å; T188-N191 PolarHBondContact O-N 2.82Å; T188-N191 VanDerWaalsContact O-N 3.14Å; T188-A192 WeakPolarHBondContact O-CB 3.35Å; T188-A192 PolarHBondContact O-N 3.04Å
189	F	98.8	Very high	97.9	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-37.5	178.2	-89.6	-115.9	0	0	0	112.4	I141 I167 I169 I185 V186 N191 A192 K193 R199 V201 L219	I141-F189 HydrophobicContact CD1-CE2 4.14Å; I167-F189 HydrophobicContact CD1-CD2 3.84Å; I167-F189 HydrophobicContact CD1-CE2 3.71Å; I167-F189 HydrophobicContact CD1-CG 4.39Å; I167-F189 HydrophobicContact CD1-CZ 4.17Å; I167-F189 HydrophobicContact CG1-CE2 4.22Å; I167-F189 HydrophobicContact CG1-CZ 4.2Å; I169-F189 HydrophobicContact CD1-CD2 4.19Å; I169-F189 HydrophobicContact CD1-CE1 4.19Å; I169-F189 HydrophobicContact CD1-CE2 3.59Å; I169-F189 HydrophobicContact CD1-CZ 3.61Å; I169-F189 HydrophobicContact CG1-CD2 4.45Å; I169-F189 HydrophobicContact CG1-CE1 4.48Å; I169-F189 HydrophobicContact CG1-CE2 3.46Å; I169-F189 VanDerWaalsContact CG1-CE2 3.46Å; I169-F189 HydrophobicContact CG1-CZ 3.49Å; I169-F189 VanDerWaalsContact CG1-CZ 3.49Å; I185-F189 HydrophobicContact CG2-CD2 4.02Å; I185-F189 HydrophobicContact CG2-CE2 4.13Å; I185-F189 WeakPolarHBondContact O-CD2 3.5Å; I185-F189 PolarHBondContact O-N 3.41Å; V186-F189 PolarHBondContact O-N 3.45Å; F189-N191 VanDerWaalsContact C-N 3.32Å; F189-N191 PolarHBondContact O-N 3.07Å; F189-A192 WeakPolarHBondContact O-CB 3.27Å; F189-A192 PolarHBondContact O-N 3.45Å; F189-K193 PolarHBondContact O-N 3.48Å; F189-R199 HydrophobicContact CD1-CB 3.78Å; F189-R199 HydrophobicContact CD1-CG 3.77Å; F189-R199 HydrophobicContact CE1-CB 3.7Å; F189-R199 HydrophobicContact CE1-CG 4.06Å; F189-R199 HydrophobicContact CG-CG 4.47Å; F189-R199 WeakPolarHBondContact O-CD 3.38Å; F189-V201 HydrophobicContact CD1-CG2 4.49Å; F189-V201 HydrophobicContact CE1-CG2 3.64Å; F189-V201 HydrophobicContact CZ-CG2 4.15Å; F189-L219 HydrophobicContact CB-CB 4.18Å; F189-L219 HydrophobicContact CB-CD2 4.19Å; F189-L219 HydrophobicContact CD1-CB 3.7Å; F189-L219 VanDerWaalsContact CD1-O 3.32Å; F189-L219 WeakPolarHBondContact CD1-O 3.49Å; F189-L219 HydrophobicContact CE1-CB 4.41Å; F189-L219 HydrophobicContact CG-CB 4.12Å; F189-L219 HydrophobicContact CG-CD2 4.4Å
190	E	98.6	Very high	98.1	Very high	57 Å²	57	59.4 Å²	59.4	27%	0.266	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-42.2	170.4	-76.8	-67.1	176.4	0	0	112.2	V186 T188 K193 K194 H220	V186-E190 PolarHBondContact O-N 3.41Å; T188-E190 PolarHBondContact O-N 3.33Å; E190-K193 PolarHBondContact O-N 3.11Å; E190-K194 WeakPolarHBondContact O-CG 3.45Å; E190-K194 PolarHBondContact O-N 3.32Å; E190-K194 VanDerWaalsContact O-N 3.14Å; E190-H220 IonicContact OE1-CD2 3.49Å; E190-H220 IonicContact OE1-CE1 2.76Å; E190-H220 IonicContact OE1-NE2 3.39Å; E190-H220 PolarHBondContact OE1-NE2 2.92Å; E190-H220 IonicContact OE2-CD2 3.42Å; E190-H220 IonicContact OE2-NE2 3Å; E190-H220 PolarHBondContact OE2-NE2 2.78Å
191	N	98.8	Very high	98.4	Very high	60 Å²	60	49.2 Å²	49.2	32%	0.321	25%	0.245	S	C	.	.	H	α-helix	trans	-71.7	-32	177	-70.8	-26.8	0	0	0	112.6	L153 Q187 T188 F189 K194 A195	L153-N191 HydrophobicContact CD2-CB 3.66Å; Q187-N191 PolarHBondContact NE2-OD1 3.14Å; Q187-N191 WeakPolarHBondContact O-CB 3.44Å; Q187-N191 PolarHBondContact O-N 3.42Å; Q187-N191 PolarHBondContact O-ND2 3.45Å; Q187-N191 VanDerWaalsContact O-ND2 3.11Å; T188-N191 CarbonylContact O-C 3.51Å; T188-N191 PolarHBondContact O-N 2.82Å; T188-N191 VanDerWaalsContact O-N 3.14Å; F189-N191 VanDerWaalsContact C-N 3.32Å; F189-N191 PolarHBondContact O-N 3.07Å; N191-K194 PolarHBondContact O-N 3.39Å; N191-A195 VanDerWaalsContact O-CB 3.29Å; N191-A195 WeakPolarHBondContact O-CB 3.43Å; N191-A195 PolarHBondContact O-N 2.88Å
192	A	98.8	Very high	98.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-45.8	173.5	0	0	0	0	0	110.9	L153 I167 T188 F189 K194 A195 N196 I197 R199	L153-A192 HydrophobicContact CD1-CB 3.74Å; L153-A192 HydrophobicContact CD2-CB 4.39Å; I167-A192 HydrophobicContact CD1-CB 3.59Å; I167-A192 HydrophobicContact CG1-CB 4.15Å; T188-A192 WeakPolarHBondContact O-CB 3.35Å; T188-A192 PolarHBondContact O-N 3.04Å; F189-A192 WeakPolarHBondContact O-CB 3.27Å; F189-A192 PolarHBondContact O-N 3.45Å; A192-K194 PolarHBondContact O-N 2.91Å; A192-A195 CarbonylContact O-C 3.54Å; A192-A195 PolarHBondContact O-N 3.18Å; A192-A195 VanDerWaalsContact O-N 3.14Å; A192-N196 PolarHBondContact O-N 3.45Å; A192-N196 VanDerWaalsContact O-N 3.1Å; A192-I197 CarbonylContact C-O 3.56Å; A192-I197 HydrophobicContact CB-CB 4.12Å; A192-I197 HydrophobicContact CB-CG2 4.44Å; A192-I197 PolarHBondContact O-N 3.48Å; A192-R199 HydrophobicContact CB-CG 3.89Å
193	K	98.6	Very high	98.5	Very high	94 Å²	94	46.7 Å²	46.7	41%	0.409	23%	0.229	S	C	.	.	H	α-helix	trans	-57	-49.1	173.4	-179.2	178.1	-177	178.2	0	112	F189 E190 A195 N196 H220	F189-K193 PolarHBondContact O-N 3.48Å; E190-K193 PolarHBondContact O-N 3.11Å; K193-A195 PolarHBondContact O-N 3.01Å; K193-N196 PolarHBondContact O-N 2.75Å; K193-N196 VanDerWaalsContact O-N 3.11Å; K193-H220 HydrophobicContact CD-CB 3.85Å; K193-H220 VanDerWaalsContact CD-CG 3.45Å; K193-H220 PolarHBondContact NZ-CE1 2.86Å; K193-H220 PolarHBondContact NZ-ND1 2.92Å
194	K	98.5	Very high	98.5	Very high	149 Å²	149	40.6 Å²	40.6	65%	0.648	20%	0.2	S	C	*	.	H	α-helix	trans	-61	-31	178	-69	170.2	-169.5	169.1	0	113	E190 N191 A192	E190-K194 WeakPolarHBondContact O-CG 3.45Å; E190-K194 PolarHBondContact O-N 3.32Å; E190-K194 VanDerWaalsContact O-N 3.14Å; N191-K194 PolarHBondContact O-N 3.39Å; A192-K194 PolarHBondContact O-N 2.91Å
195	A	98.3	Very high	98.4	Very high	36 Å²	36	35.8 Å²	35.8	30%	0.298	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	5.3	179.2	0	0	0	0	0	113.8	K157 N191 A192 K193 I197	K157-A195 HydrophobicContact CD-CB 4.38Å; K157-A195 HydrophobicContact CG-CB 4.37Å; N191-A195 VanDerWaalsContact O-CB 3.29Å; N191-A195 WeakPolarHBondContact O-CB 3.43Å; N191-A195 PolarHBondContact O-N 2.88Å; A192-A195 CarbonylContact O-C 3.54Å; A192-A195 PolarHBondContact O-N 3.18Å; A192-A195 VanDerWaalsContact O-N 3.14Å; K193-A195 PolarHBondContact O-N 3.01Å; A195-I197 HydrophobicContact CB-CG1 4.15Å; A195-I197 PolarHBondContact O-N 2.79Å
196	N	97.5	Very high	98.3	Very high	130 Å²	130	37.2 Å²	37.2	70%	0.695	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	34.3	-173.9	-55	-59.6	0	0	0	113.7	A192 K193	A192-N196 PolarHBondContact O-N 3.45Å; A192-N196 VanDerWaalsContact O-N 3.1Å; K193-N196 PolarHBondContact O-N 2.75Å; K193-N196 VanDerWaalsContact O-N 3.11Å
197	I	98.7	Very high	98.3	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.177	C	C	.	.			trans	-92.6	122.8	169.4	-59.9	-64.9	0	0	0	107.7	L153 A156 K157 I167 A192 A195 R199	L153-I197 HydrophobicContact CD1-CB 4.16Å; L153-I197 HydrophobicContact CD1-CG1 4.02Å; L153-I197 HydrophobicContact CD1-CG2 4.19Å; A156-I197 HydrophobicContact CB-CG2 4.1Å; K157-I197 HydrophobicContact CG-CD1 4.16Å; K157-I197 HydrophobicContact CG-CG1 3.93Å; I167-I197 HydrophobicContact CG1-CG2 4.47Å; I167-I197 HydrophobicContact CG2-CG2 4.19Å; A192-I197 CarbonylContact C-O 3.56Å; A192-I197 HydrophobicContact CB-CB 4.12Å; A192-I197 HydrophobicContact CB-CG2 4.44Å; A192-I197 PolarHBondContact O-N 3.48Å; A195-I197 HydrophobicContact CB-CG1 4.15Å; A195-I197 PolarHBondContact O-N 2.79Å; I197-R199 PolarHBondContact O-NH1 3.14Å
198	H	98.8	Very high	98.2	Very high	55 Å²	55	33.7 Å²	33.7	26%	0.255	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	155.9	-179.2	-65.6	-73.6	0	0	0	112	V165 A166 I167 E222 F324	V165-H198 WeakPolarHBondContact O-CB 3.29Å; V165-H198 PolarHBondContact O-CD2 3.47Å; A166-H198 CarbonylContact C-O 3.58Å; A166-H198 WeakPolarHBondContact CA-O 3.33Å; A166-H198 HydrophobicContact CB-CB 3.76Å; A166-H198 VanDerWaalsContact CB-O 3.32Å; A166-H198 WeakPolarHBondContact CB-O 3.27Å; I167-H198 PolarHBondContact N-O 2.83Å; H198-E222 WeakPolarHBondContact CA-OE1 3.39Å; H198-E222 IonicContact CE1-OE2 3.45Å; H198-E222 IonicContact CG-OE1 2.79Å; H198-E222 IonicContact CG-OE2 3.06Å; H198-E222 VanDerWaalsContact ND1-CD 3.32Å; H198-E222 IonicContact ND1-OE1 3.7Å; H198-E222 PolarHBondContact ND1-OE1 2.83Å; H198-E222 VanDerWaalsContact ND1-OE1 3.13Å; H198-E222 IonicContact ND1-OE2 2.73Å; H198-E222 PolarHBondContact ND1-OE2 2.87Å; H198-F324 HydrophobicContact CB-CB 4.37Å; H198-F324 HydrophobicContact CB-CD1 3.51Å; H198-F324 HydrophobicContact CB-CD2 3.87Å; H198-F324 HydrophobicContact CB-CE1 3.59Å; H198-F324 HydrophobicContact CB-CE2 3.92Å; H198-F324 HydrophobicContact CB-CG 3.67Å; H198-F324 HydrophobicContact CB-CZ 3.79Å; H198-F324 AromaticContact CD2-CD1 3.83Å; H198-F324 AromaticContact CD2-CG 3.9Å; H198-F324 AromaticContact CG-CD1 3.34Å; H198-F324 AromaticContact CG-CE1 3.8Å; H198-F324 AromaticContact CG-CG 3.71Å; H198-F324 AromaticContact ND1-CD1 3.49Å; H198-F324 WeakPolarHBondContact ND1-CD1 3.42Å; H198-F324 AromaticContact ND1-CE1 3.8Å
199	R	98.8	Very high	98.2	Very high	19 Å²	19	33.6 Å²	33.6	7%	0.072	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	126.1	-170.9	-64.2	156.3	-48.6	-61.3	-13	110.2	I167 F189 A192 I197 H220 E222	I167-R199 HydrophobicContact CG1-CG 4.26Å; I167-R199 WeakPolarHBondContact O-CA 3.27Å; F189-R199 HydrophobicContact CD1-CB 3.78Å; F189-R199 HydrophobicContact CD1-CG 3.77Å; F189-R199 HydrophobicContact CE1-CB 3.7Å; F189-R199 HydrophobicContact CE1-CG 4.06Å; F189-R199 HydrophobicContact CG-CG 4.47Å; F189-R199 WeakPolarHBondContact O-CD 3.38Å; A192-R199 HydrophobicContact CB-CG 3.89Å; I197-R199 PolarHBondContact O-NH1 3.14Å; R199-H220 VanDerWaalsContact CZ-O 3.29Å; R199-H220 PolarHBondContact NE-O 2.96Å; R199-H220 PolarHBondContact NH2-O 3.11Å; R199-E222 IonicContact CZ-OE1 2.95Å; R199-E222 VanDerWaalsContact CZ-OE1 3.22Å; R199-E222 IonicContact NH1-OE1 3.57Å; R199-E222 PolarHBondContact NH1-OE1 3.03Å; R199-E222 VanDerWaalsContact NH1-OE1 3.09Å; R199-E222 IonicContact NH2-OE1 3.03Å; R199-E222 PolarHBondContact NH2-OE1 2.97Å; R199-E222 PolarHBondContact O-N 3.11Å
200	T	98.9	Very high	98.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	164.6	166.9	-172.5	0	0	0	0	110.2	I138 I167 D168 R223	I138-T200 HydrophobicContact CD1-CG2 4.3Å; I138-T200 HydrophobicContact CG2-CG2 4.21Å; I167-T200 PolarHBondContact O-N 2.82Å; D168-T200 VanDerWaalsContact CA-O 3.29Å; D168-T200 WeakPolarHBondContact CA-O 3.43Å; D168-T200 HydrophobicContact CB-CG2 3.7Å; T200-R223 VanDerWaalsContact CA-O 3.31Å; T200-R223 WeakPolarHBondContact CA-O 3.31Å; T200-R223 PolarHBondContact OG1-O 3.42Å
201	V	98.8	Very high	98.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	125.1	-175	-179.9	0	0	0	0	109.2	D168 I169 F189 V203 A215 L219 A221 R223 G225	D168-V201 WeakPolarHBondContact OD1-CA 3.21Å; I169-V201 HydrophobicContact CB-CG1 4.23Å; I169-V201 HydrophobicContact CD1-CG1 4.25Å; I169-V201 HydrophobicContact CD1-CG2 4.08Å; F189-V201 HydrophobicContact CD1-CG2 4.49Å; F189-V201 HydrophobicContact CE1-CG2 3.64Å; F189-V201 HydrophobicContact CZ-CG2 4.15Å; V201-V203 HydrophobicContact CB-CG1 4.4Å; V201-V203 HydrophobicContact CG1-CB 3.92Å; V201-V203 HydrophobicContact CG1-CG1 3.88Å; V201-V203 PolarHBondContact O-N 3.22Å; V201-A215 HydrophobicContact CB-CB 4.18Å; V201-A215 HydrophobicContact CG1-CB 3.99Å; V201-A215 HydrophobicContact CG2-CB 4.28Å; V201-L219 HydrophobicContact CG2-CD1 4.05Å; V201-A221 HydrophobicContact CB-CB 4.37Å; V201-A221 HydrophobicContact CG2-CB 3.76Å; V201-R223 PolarHBondContact N-O 3.41Å; V201-G225 PolarHBondContact O-N 3.35Å
202	H	98.5	Very high	98.1	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.046	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	109.9	165.1	-62.9	68	0	0	0	109.2	H13 H15 R100 R143 D168 I169 H226	H13-H202 AromaticContact CD2-NE2 4Å; H13-H202 AromaticContact CE1-CD2 3.35Å; H13-H202 PolarHBondContact CE1-CD2 2.89Å; H13-H202 AromaticContact CE1-NE2 3.22Å; H13-H202 PolarHBondContact CE1-NE2 3.3Å; H13-H202 AromaticContact NE2-CD2 3.41Å; H13-H202 PolarHBondContact NE2-CD2 3.03Å; H13-H202 AromaticContact NE2-NE2 2.97Å; H13-H202 PolarHBondContact NE2-NE2 3.23Å; H15-H202 AromaticContact CE1-CE1 3.64Å; H15-H202 AromaticContact CE1-NE2 3.25Å; H15-H202 PolarHBondContact CE1-NE2 3.14Å; H15-H202 AromaticContact NE2-CE1 3.89Å; H15-H202 AromaticContact NE2-NE2 3.07Å; H15-H202 PolarHBondContact NE2-NE2 2.96Å; R100-H202 VanDerWaalsContact CD-CE1 3.49Å; R100-H202 WeakPolarHBondContact CD-CE1 3.47Å; R100-H202 PolarHBondContact NH1-CE1 2.92Å; R100-H202 PolarHBondContact NH1-NE2 2.93Å; R100-H202 VanDerWaalsContact NH1-NE2 3.18Å; R143-H202 PolarHBondContact NH2-O 3.27Å; D168-H202 IonicContact OD1-CE1 3.73Å; D168-H202 IonicContact OD1-ND1 3.91Å; D168-H202 PolarHBondContact OD1-ND1 3.16Å; D168-H202 IonicContact OD2-CE1 3.02Å; D168-H202 PolarHBondContact OD2-CE1 2.88Å; D168-H202 IonicContact OD2-ND1 2.98Å; D168-H202 PolarHBondContact OD2-ND1 2.82Å; I169-H202 WeakPolarHBondContact O-CB 3.48Å; I169-H202 PolarHBondContact O-N 2.8Å; I169-H202 PolarHBondContact O-ND1 3.2Å; I169-H202 VanDerWaalsContact O-ND1 3.12Å; H202-H226 AromaticContact CD2-CD2 3.88Å; H202-H226 AromaticContact CD2-NE2 3.59Å
203	V	98.4	Very high	98.1	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	159.6	-179.1	65.1	0	0	0	0	109.8	D173 L176 V201 E205 S207 V212 A215 I224 G225 G227	D173-V203 WeakPolarHBondContact OD2-CA 3.22Å; L176-V203 HydrophobicContact CD1-CG2 3.99Å; V201-V203 HydrophobicContact CB-CG1 4.4Å; V201-V203 HydrophobicContact CG1-CB 3.92Å; V201-V203 HydrophobicContact CG1-CG1 3.88Å; V201-V203 PolarHBondContact O-N 3.22Å; V203-E205 PolarHBondContact O-N 3.01Å; V203-S207 WeakPolarHBondContact CG2-OG 2.99Å; V203-V212 HydrophobicContact CG1-CB 4.42Å; V203-V212 HydrophobicContact CG1-CG2 4.2Å; V203-V212 HydrophobicContact CG2-CG2 4.36Å; V203-A215 HydrophobicContact CG1-CB 3.81Å; V203-I224 HydrophobicContact CG1-CD1 3.99Å; V203-I224 HydrophobicContact CG1-CG2 3.83Å; V203-G225 PolarHBondContact N-O 3.16Å; V203-G225 VanDerWaalsContact O-O 3.05Å; V203-G227 WeakPolarHBondContact O-CA 3.25Å; V203-G227 PolarHBondContact O-N 2.76Å
204	G	97.9	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	72.2	17.6	-174.6	0	0	0	0	0	113.4	D173 S207 Y228 H229	D173-G204 PolarHBondContact OD2-N 3.33Å; G204-S207 WeakPolarHBondContact CA-OG 3.33Å; G204-S207 PolarHBondContact N-OG 2.84Å; G204-Y228 PolarHBondContact O-N 3.42Å; G204-Y228 VanDerWaalsContact O-N 3.09Å; G204-H229 PolarHBondContact O-CD2 3.2Å; G204-H229 VanDerWaalsContact O-CD2 3.3Å; G204-H229 PolarHBondContact O-N 2.73Å
205	E	95.9	Very high	98	Very high	8 Å²	8	28 Å²	28	4%	0.037	15%	0.151	C	C	.	.	S	Bend	trans	-87.9	-50.1	173	-171.4	178.6	-159	0	0	110.4	L56 D173 V203 H226 H229 T257 S259	L56-E205 WeakPolarHBondContact CD1-OE2 3.43Å; L56-E205 WeakPolarHBondContact CD2-OE2 3.35Å; D173-E205 PolarHBondContact OD2-N 3.46Å; V203-E205 PolarHBondContact O-N 3.01Å; E205-H226 HydrophobicContact CB-CB 4.07Å; E205-H226 HydrophobicContact CG-CB 4.44Å; E205-H226 IonicContact OE1-CE1 3.35Å; E205-H226 IonicContact OE1-ND1 2.8Å; E205-H226 IonicContact OE2-CD2 3.06Å; E205-H226 IonicContact OE2-NE2 3.06Å; E205-H229 PolarHBondContact O-CD2 2.97Å; E205-H229 PolarHBondContact O-NE2 3.3Å; E205-T257 WeakPolarHBondContact OE1-CB 3.46Å; E205-T257 WeakPolarHBondContact OE1-CG2 3.43Å; E205-T257 PolarHBondContact OE1-OG1 3.06Å; E205-S259 WeakPolarHBondContact CA-OG 3.23Å; E205-S259 WeakPolarHBondContact O-CB 3.35Å; E205-S259 PolarHBondContact O-OG 3.46Å
206	N	96	Very high	98	Very high	30 Å²	30	27.3 Å²	27.3	16%	0.16	14%	0.144	C	C	.	.	S	Bend	trans	-128.4	5.7	168.7	-72.4	-83.8	0	0	0	112.6	L56 D173 K177	L56-N206 WeakPolarHBondContact CB-ND2 3.33Å; L56-N206 WeakPolarHBondContact CD2-ND2 3.1Å; D173-N206 VanDerWaalsContact OD1-CA 3.29Å; D173-N206 WeakPolarHBondContact OD1-CA 3.26Å; D173-N206 VanDerWaalsContact OD1-CB 3.29Å; D173-N206 WeakPolarHBondContact OD1-CB 3.46Å; D173-N206 PolarHBondContact OD1-N 2.57Å; D173-N206 PolarHBondContact OD2-N 3.23Å; K177-N206 WeakPolarHBondContact CE-O 3.48Å; K177-N206 PolarHBondContact NZ-O 3.39Å
207	S	97.7	Very high	98	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.014	13%	0.128	C	C	.	.	S	Bend	trans	-98.4	160.3	171.9	61.6	0	0	0	0	112.3	D173 V203 G204 H229	D173-S207 WeakPolarHBondContact O-CB 3.32Å; D173-S207 PolarHBondContact OD1-N 3.04Å; D173-S207 WeakPolarHBondContact OD2-CB 3.4Å; D173-S207 PolarHBondContact OD2-N 3.47Å; D173-S207 PolarHBondContact OD2-OG 3.25Å; V203-S207 WeakPolarHBondContact CG2-OG 2.99Å; G204-S207 WeakPolarHBondContact CA-OG 3.33Å; G204-S207 PolarHBondContact N-OG 2.84Å; S207-H229 WeakPolarHBondContact O-CB 3.1Å
208	P	97.8	Very high	97.9	Very high	44 Å²	44	28.3 Å²	28.3	29%	0.286	15%	0.149	S	C	.	.			trans	-72.2	164	-179	29.6	-36.2	0	0	0	113.4	S210 S211	P208-S210 PolarHBondContact O-N 3.35Å; P208-S210 VanDerWaalsContact O-N 3.12Å; P208-S211 WeakPolarHBondContact O-CB 3.47Å; P208-S211 PolarHBondContact O-N 3.43Å
209	A	98.2	Very high	97.9	Very high	6 Å²	6	26 Å²	26	5%	0.05	14%	0.138	C	C	.	.	H	α-helix	trans	-50.2	-36.4	174.6	0	0	0	0	0	113.8	S211 V212 Y213 H229 I230 D233	A209-S211 VanDerWaalsContact C-N 3.27Å; A209-S211 PolarHBondContact O-N 3.42Å; A209-V212 WeakPolarHBondContact O-CB 3.47Å; A209-V212 PolarHBondContact O-N 3.28Å; A209-V212 VanDerWaalsContact O-N 3.16Å; A209-Y213 PolarHBondContact O-N 3.33Å; A209-H229 VanDerWaalsContact CB-O 3.29Å; A209-H229 WeakPolarHBondContact CB-O 3.07Å; A209-I230 HydrophobicContact CB-CD1 4.42Å; A209-D233 HydrophobicContact CB-CB 3.59Å
210	S	97.6	Very high	97.9	Very high	60 Å²	60	26.9 Å²	26.9	42%	0.42	14%	0.143	S	C	.	.	H	α-helix	trans	-61	-35.2	177.3	55.9	0	0	0	0	112.5	P208 Y213 E214	P208-S210 PolarHBondContact O-N 3.35Å; P208-S210 VanDerWaalsContact O-N 3.12Å; S210-Y213 PolarHBondContact O-N 3.34Å; S210-E214 WeakPolarHBondContact O-CB 3.3Å; S210-E214 VanDerWaalsContact O-CG 3.27Å; S210-E214 WeakPolarHBondContact O-CG 3.48Å; S210-E214 PolarHBondContact O-N 3.18Å
211	S	98.3	Very high	97.8	Very high	9 Å²	9	27.2 Å²	27.2	6%	0.063	15%	0.146	C	C	.	.	H	α-helix	trans	-68.7	-35.9	176.3	-60.2	0	0	0	0	112.2	P208 A209 A215	P208-S211 WeakPolarHBondContact O-CB 3.47Å; P208-S211 PolarHBondContact O-N 3.43Å; A209-S211 VanDerWaalsContact C-N 3.27Å; A209-S211 PolarHBondContact O-N 3.42Å; S211-A215 WeakPolarHBondContact O-CB 3.48Å; S211-A215 PolarHBondContact O-N 2.87Å
212	V	98.5	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-47.2	172.5	-177.2	0	0	0	0	110.2	V203 A209 E214 A215 V216 I224 I230 L240 F247	V203-V212 HydrophobicContact CG1-CB 4.42Å; V203-V212 HydrophobicContact CG1-CG2 4.2Å; V203-V212 HydrophobicContact CG2-CG2 4.36Å; A209-V212 WeakPolarHBondContact O-CB 3.47Å; A209-V212 PolarHBondContact O-N 3.28Å; A209-V212 VanDerWaalsContact O-N 3.16Å; V212-E214 PolarHBondContact O-N 3.22Å; V212-A215 PolarHBondContact O-N 3.16Å; V212-V216 PolarHBondContact O-N 3.09Å; V212-I224 HydrophobicContact CG1-CG1 4.25Å; V212-I224 HydrophobicContact CG1-CG2 4.09Å; V212-I230 HydrophobicContact CB-CD1 4.12Å; V212-I230 HydrophobicContact CG1-CB 4.36Å; V212-I230 HydrophobicContact CG1-CD1 4.06Å; V212-I230 HydrophobicContact CG1-CG1 4.44Å; V212-L240 HydrophobicContact CG1-CD1 3.86Å; V212-F247 HydrophobicContact CG1-CE1 4.01Å; V212-F247 HydrophobicContact CG1-CZ 4.04Å
213	Y	97.5	Very high	97.9	Very high	90 Å²	90	30.1 Å²	30.1	35%	0.353	16%	0.16	S	C	.	.	H	α-helix	trans	-61.3	-42.9	177.6	-172.8	-91.6	0	0	0	112.1	A209 S210 V216 N217 A236 L240	A209-Y213 PolarHBondContact O-N 3.33Å; S210-Y213 PolarHBondContact O-N 3.34Å; Y213-V216 PolarHBondContact O-N 2.89Å; Y213-N217 WeakPolarHBondContact CD1-ND2 3.5Å; Y213-N217 WeakPolarHBondContact CE1-ND2 3.33Å; Y213-N217 WeakPolarHBondContact CE2-ND2 3.36Å; Y213-N217 PolarHBondContact O-N 2.95Å; Y213-N217 PolarHBondContact O-ND2 3.39Å; Y213-A236 HydrophobicContact CD2-CB 4.07Å; Y213-L240 HydrophobicContact CD2-CD2 4.14Å; Y213-L240 HydrophobicContact CD2-CG 4.49Å
214	E	97.2	Very high	97.9	Very high	78 Å²	78	30.1 Å²	30.1	36%	0.364	16%	0.159	S	C	.	.	H	α-helix	trans	-66.3	-35.6	176	-75	177.5	-178.3	0	0	112.5	S210 V212 V216 N217 N218 L219	S210-E214 WeakPolarHBondContact O-CB 3.3Å; S210-E214 VanDerWaalsContact O-CG 3.27Å; S210-E214 WeakPolarHBondContact O-CG 3.48Å; S210-E214 PolarHBondContact O-N 3.18Å; V212-E214 PolarHBondContact O-N 3.22Å; E214-V216 VanDerWaalsContact C-N 3.34Å; E214-V216 PolarHBondContact O-N 2.99Å; E214-N217 PolarHBondContact O-N 3.17Å; E214-N218 WeakPolarHBondContact O-CA 3.44Å; E214-N218 WeakPolarHBondContact O-CB 3.38Å; E214-N218 PolarHBondContact O-N 2.98Å; E214-L219 PolarHBondContact O-N 2.84Å
215	A	98.5	Very high	97.9	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.033	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-42.2	175.7	0	0	0	0	0	111.9	V201 V203 S211 V212 L219 H220 A221 I224	V201-A215 HydrophobicContact CB-CB 4.18Å; V201-A215 HydrophobicContact CG1-CB 3.99Å; V201-A215 HydrophobicContact CG2-CB 4.28Å; V203-A215 HydrophobicContact CG1-CB 3.81Å; S211-A215 WeakPolarHBondContact O-CB 3.48Å; S211-A215 PolarHBondContact O-N 2.87Å; V212-A215 PolarHBondContact O-N 3.16Å; A215-L219 HydrophobicContact CB-CD1 4.38Å; A215-L219 CarbonylContact O-C 3.59Å; A215-L219 WeakPolarHBondContact O-CA 3.3Å; A215-L219 VanDerWaalsContact O-CB 3.26Å; A215-L219 WeakPolarHBondContact O-CB 3.47Å; A215-L219 PolarHBondContact O-N 2.92Å; A215-H220 PolarHBondContact O-N 3.37Å; A215-A221 VanDerWaalsContact O-CB 3.31Å; A215-A221 WeakPolarHBondContact O-CB 3.48Å; A215-A221 PolarHBondContact O-N 3.4Å; A215-A221 VanDerWaalsContact O-N 3.13Å; A215-I224 HydrophobicContact CB-CD1 3.97Å
216	V	98.4	Very high	98	Very high	22 Å²	22	29.8 Å²	29.8	13%	0.133	16%	0.158	C	C	.	.	H	α-helix	trans	-67.5	-48.6	176.1	179.2	0	0	0	0	111.1	V212 Y213 E214 H220 I224 L240 V245	V212-V216 PolarHBondContact O-N 3.09Å; Y213-V216 PolarHBondContact O-N 2.89Å; E214-V216 VanDerWaalsContact C-N 3.34Å; E214-V216 PolarHBondContact O-N 2.99Å; V216-H220 WeakPolarHBondContact O-CA 3.41Å; V216-H220 PolarHBondContact O-N 3.02Å; V216-I224 HydrophobicContact CG2-CD1 3.85Å; V216-I224 HydrophobicContact CG2-CG1 4.02Å; V216-L240 HydrophobicContact CB-CD2 4.04Å; V216-L240 HydrophobicContact CG1-CD2 4.04Å; V216-L240 HydrophobicContact CG2-CD1 4.07Å; V216-L240 HydrophobicContact CG2-CD2 3.98Å; V216-V245 HydrophobicContact CG1-CG2 3.88Å; V216-V245 HydrophobicContact CG2-CG1 3.99Å; V216-V245 HydrophobicContact CG2-CG2 4.13Å
217	N	97.6	Very high	98.1	Very high	70 Å²	70	28.3 Å²	28.3	37%	0.374	15%	0.15	S	C	.	.	H	α-helix	trans	-84.7	-35	-168.8	-69.3	-70.9	0	0	0	114.5	Y213 E214	Y213-N217 WeakPolarHBondContact CD1-ND2 3.5Å; Y213-N217 WeakPolarHBondContact CE1-ND2 3.33Å; Y213-N217 WeakPolarHBondContact CE2-ND2 3.36Å; Y213-N217 PolarHBondContact O-N 2.95Å; Y213-N217 PolarHBondContact O-ND2 3.39Å; E214-N217 PolarHBondContact O-N 3.17Å
218	N	96.6	Very high	98.2	Very high	86 Å²	86	28.5 Å²	28.5	46%	0.46	15%	0.151	S	C	.	.	H	α-helix	trans	-100.6	-34.9	-175.6	-57	-15.5	0	0	0	112	E214	E214-N218 WeakPolarHBondContact O-CA 3.44Å; E214-N218 WeakPolarHBondContact O-CB 3.38Å; E214-N218 PolarHBondContact O-N 2.98Å
219	L	98.4	Very high	98.1	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	15%	0.148	C	C	.	.	S	Bend	trans	-94.1	-5.4	176.7	-52.8	177.9	0	0	0	112.4	I169 V181 V186 F189 V201 E214 A215 A221	I169-L219 HydrophobicContact CD1-CD1 3.56Å; V181-L219 HydrophobicContact CG1-CD1 4.45Å; V181-L219 HydrophobicContact CG1-CD2 4.38Å; V181-L219 HydrophobicContact CG2-CD1 4.32Å; V186-L219 HydrophobicContact CB-CD2 4.27Å; V186-L219 HydrophobicContact CG1-CD2 4.47Å; V186-L219 HydrophobicContact CG2-CD2 3.94Å; F189-L219 HydrophobicContact CB-CB 4.18Å; F189-L219 HydrophobicContact CB-CD2 4.19Å; F189-L219 HydrophobicContact CD1-CB 3.7Å; F189-L219 VanDerWaalsContact CD1-O 3.32Å; F189-L219 WeakPolarHBondContact CD1-O 3.49Å; F189-L219 HydrophobicContact CE1-CB 4.41Å; F189-L219 HydrophobicContact CG-CB 4.12Å; F189-L219 HydrophobicContact CG-CD2 4.4Å; V201-L219 HydrophobicContact CG2-CD1 4.05Å; E214-L219 PolarHBondContact O-N 2.84Å; A215-L219 HydrophobicContact CB-CD1 4.38Å; A215-L219 CarbonylContact O-C 3.59Å; A215-L219 WeakPolarHBondContact O-CA 3.3Å; A215-L219 VanDerWaalsContact O-CB 3.26Å; A215-L219 WeakPolarHBondContact O-CB 3.47Å; A215-L219 PolarHBondContact O-N 2.92Å; L219-A221 PolarHBondContact O-N 3.18Å
220	H	98.2	Very high	98.1	Very high	39 Å²	39	28.5 Å²	28.5	18%	0.181	15%	0.145	C	C	.	.			trans	55.8	35.1	-177.2	-47.4	-79.2	0	0	0	112.3	E190 K193 R199 A215 V216 E222	E190-H220 IonicContact OE1-CD2 3.49Å; E190-H220 IonicContact OE1-CE1 2.76Å; E190-H220 IonicContact OE1-NE2 3.39Å; E190-H220 PolarHBondContact OE1-NE2 2.92Å; E190-H220 IonicContact OE2-CD2 3.42Å; E190-H220 IonicContact OE2-NE2 3Å; E190-H220 PolarHBondContact OE2-NE2 2.78Å; K193-H220 HydrophobicContact CD-CB 3.85Å; K193-H220 VanDerWaalsContact CD-CG 3.45Å; K193-H220 PolarHBondContact NZ-CE1 2.86Å; K193-H220 PolarHBondContact NZ-ND1 2.92Å; R199-H220 VanDerWaalsContact CZ-O 3.29Å; R199-H220 PolarHBondContact NE-O 2.96Å; R199-H220 PolarHBondContact NH2-O 3.11Å; A215-H220 PolarHBondContact O-N 3.37Å; V216-H220 WeakPolarHBondContact O-CA 3.41Å; V216-H220 PolarHBondContact O-N 3.02Å; H220-E222 PolarHBondContact O-N 3.06Å
221	A	98.7	Very high	98.1	Very high	7 Å²	7	27.8 Å²	27.8	6%	0.058	14%	0.137	C	C	.	.			trans	-62.2	129	177.5	0	0	0	0	0	110	V201 A215 L219 I224	V201-A221 HydrophobicContact CB-CB 4.37Å; V201-A221 HydrophobicContact CG2-CB 3.76Å; A215-A221 VanDerWaalsContact O-CB 3.31Å; A215-A221 WeakPolarHBondContact O-CB 3.48Å; A215-A221 PolarHBondContact O-N 3.4Å; A215-A221 VanDerWaalsContact O-N 3.13Å; L219-A221 PolarHBondContact O-N 3.18Å; A221-I224 HydrophobicContact CB-CD1 3.97Å
222	E	98.6	Very high	98.1	Very high	70 Å²	70	33 Å²	33	33%	0.327	16%	0.164	S	C	.	.	S	Bend	trans	-86.5	-27	177.7	-67.7	169.2	-119.8	0	0	111.3	H198 R199 H220 F324	H198-E222 WeakPolarHBondContact CA-OE1 3.39Å; H198-E222 IonicContact CE1-OE2 3.45Å; H198-E222 IonicContact CG-OE1 2.79Å; H198-E222 IonicContact CG-OE2 3.06Å; H198-E222 VanDerWaalsContact ND1-CD 3.32Å; H198-E222 IonicContact ND1-OE1 3.7Å; H198-E222 PolarHBondContact ND1-OE1 2.83Å; H198-E222 VanDerWaalsContact ND1-OE1 3.13Å; H198-E222 IonicContact ND1-OE2 2.73Å; H198-E222 PolarHBondContact ND1-OE2 2.87Å; R199-E222 IonicContact CZ-OE1 2.95Å; R199-E222 VanDerWaalsContact CZ-OE1 3.22Å; R199-E222 IonicContact NH1-OE1 3.57Å; R199-E222 PolarHBondContact NH1-OE1 3.03Å; R199-E222 VanDerWaalsContact NH1-OE1 3.09Å; R199-E222 IonicContact NH2-OE1 3.03Å; R199-E222 PolarHBondContact NH2-OE1 2.97Å; R199-E222 PolarHBondContact O-N 3.11Å; H220-E222 PolarHBondContact O-N 3.06Å; E222-F324 HydrophobicContact CB-CE1 3.89Å; E222-F324 HydrophobicContact CB-CZ 4.18Å
223	R	98.9	Very high	98.1	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147	176.8	-48.4	-168.5	-55	-140	4	110.6	E98 I138 T200 V201 H246 E248 A322 F324	E98-R223 IonicContact OE1-NH1 3.03Å; E98-R223 PolarHBondContact OE1-NH1 2.68Å; E98-R223 IonicContact OE2-CZ 3.88Å; E98-R223 IonicContact OE2-NH1 3.83Å; E98-R223 PolarHBondContact OE2-NH1 2.71Å; E98-R223 IonicContact OE2-NH2 2.93Å; E98-R223 PolarHBondContact OE2-NH2 3.47Å; I138-R223 VanDerWaalsContact CD1-NH2 3.34Å; T200-R223 VanDerWaalsContact CA-O 3.31Å; T200-R223 WeakPolarHBondContact CA-O 3.31Å; T200-R223 PolarHBondContact OG1-O 3.42Å; V201-R223 PolarHBondContact N-O 3.41Å; R223-H246 CarbonylContact C-O 3.56Å; R223-H246 VanDerWaalsContact CA-O 3.29Å; R223-H246 WeakPolarHBondContact CA-O 3.44Å; R223-H246 HydrophobicContact CB-CB 4.44Å; R223-H246 HydrophobicContact CG-CB 4.09Å; R223-E248 HydrophobicContact CB-CG 4.37Å; R223-E248 IonicContact CZ-OE1 2.96Å; R223-E248 IonicContact NE-OE1 3.51Å; R223-E248 PolarHBondContact NE-OE1 3.44Å; R223-E248 IonicContact NH2-OE1 3.25Å; R223-E248 PolarHBondContact NH2-OE1 3.22Å; R223-A322 WeakPolarHBondContact CD-O 3.3Å; R223-A322 PolarHBondContact NH1-O 3.49Å; R223-A322 VanDerWaalsContact NH1-O 3.1Å; R223-F324 HydrophobicContact CG-CE1 4.18Å; R223-F324 HydrophobicContact CG-CZ 3.85Å; R223-F324 VanDerWaalsContact NH1-CD2 3.33Å; R223-F324 VanDerWaalsContact NH2-CE2 3.28Å
224	I	98.9	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.4	176.1	-60.9	-58.4	0	0	0	109	V203 V212 A215 V216 A221 V245 H246 F247 E248	V203-I224 HydrophobicContact CG1-CD1 3.99Å; V203-I224 HydrophobicContact CG1-CG2 3.83Å; V212-I224 HydrophobicContact CG1-CG1 4.25Å; V212-I224 HydrophobicContact CG1-CG2 4.09Å; A215-I224 HydrophobicContact CB-CD1 3.97Å; V216-I224 HydrophobicContact CG2-CD1 3.85Å; V216-I224 HydrophobicContact CG2-CG1 4.02Å; A221-I224 HydrophobicContact CB-CD1 3.97Å; I224-V245 HydrophobicContact CG1-CG1 3.96Å; I224-H246 PolarHBondContact N-O 3.36Å; I224-F247 HydrophobicContact CB-CD1 4.06Å; I224-F247 HydrophobicContact CB-CE1 4.1Å; I224-F247 HydrophobicContact CB-CG 4.47Å; I224-F247 HydrophobicContact CG1-CZ 4.5Å; I224-F247 HydrophobicContact CG2-CD1 4.01Å; I224-F247 HydrophobicContact CG2-CE1 3.91Å; I224-F247 CarbonylContact O-C 3.33Å; I224-F247 WeakPolarHBondContact O-CA 3.21Å; I224-E248 PolarHBondContact O-N 3Å
225	G	98.7	Very high	98.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	124	167.3	0	0	0	0	0	110	V201 V203 G227	V201-G225 PolarHBondContact O-N 3.35Å; V203-G225 PolarHBondContact N-O 3.16Å; V203-G225 VanDerWaalsContact O-O 3.05Å; G225-G227 PolarHBondContact O-N 3.35Å; G225-G227 VanDerWaalsContact O-N 3.07Å
226	H	98.4	Very high	98.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.6	-90.5	-174.6	-45.8	-83.9	0	0	0	113.9	H13 H202 E205 Y228 F247 E248 D285	H13-H226 AromaticContact CE1-CD2 3.84Å; H13-H226 AromaticContact CE1-NE2 3.47Å; H13-H226 PolarHBondContact CE1-NE2 2.94Å; H13-H226 AromaticContact NE2-NE2 3.6Å; H202-H226 AromaticContact CD2-CD2 3.88Å; H202-H226 AromaticContact CD2-NE2 3.59Å; E205-H226 HydrophobicContact CB-CB 4.07Å; E205-H226 HydrophobicContact CG-CB 4.44Å; E205-H226 IonicContact OE1-CE1 3.35Å; E205-H226 IonicContact OE1-ND1 2.8Å; E205-H226 IonicContact OE2-CD2 3.06Å; E205-H226 IonicContact OE2-NE2 3.06Å; H226-Y228 VanDerWaalsContact C-N 3.34Å; H226-Y228 HydrophobicContact CB-CD2 3.8Å; H226-Y228 HydrophobicContact CB-CE2 3.62Å; H226-Y228 AromaticContact ND1-CE2 3.79Å; H226-Y228 PolarHBondContact O-N 3.04Å; H226-F247 WeakPolarHBondContact O-CD1 3.35Å; H226-E248 PolarHBondContact N-O 3.16Å; H226-D285 IonicContact CE1-OD2 2.82Å; H226-D285 PolarHBondContact CE1-OD2 2.81Å; H226-D285 VanDerWaalsContact CE1-OD2 3.25Å; H226-D285 IonicContact NE2-OD2 3.9Å
227	G	98.2	Very high	98.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.			trans	72.1	15.6	177.7	0	0	0	0	0	116.6	V203 G225 H229 I230	V203-G227 WeakPolarHBondContact O-CA 3.25Å; V203-G227 PolarHBondContact O-N 2.76Å; G225-G227 PolarHBondContact O-N 3.35Å; G225-G227 VanDerWaalsContact O-N 3.07Å; G227-H229 PolarHBondContact O-N 2.99Å; G227-I230 VanDerWaalsContact O-CB 3.31Å; G227-I230 WeakPolarHBondContact O-CB 3.43Å; G227-I230 WeakPolarHBondContact O-CG2 3.49Å; G227-I230 PolarHBondContact O-N 2.95Å; G227-I230 VanDerWaalsContact O-N 3.1Å
228	Y	98.2	Very high	98.2	Very high	6 Å²	6	38 Å²	38	2%	0.024	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-57.1	-41.1	-172.6	-61.7	-51.9	0	0	0	115	G204 H226 I230 L231 V249 C250 S254 S259 V260 H268 P269	G204-Y228 PolarHBondContact O-N 3.42Å; G204-Y228 VanDerWaalsContact O-N 3.09Å; H226-Y228 VanDerWaalsContact C-N 3.34Å; H226-Y228 HydrophobicContact CB-CD2 3.8Å; H226-Y228 HydrophobicContact CB-CE2 3.62Å; H226-Y228 AromaticContact ND1-CE2 3.79Å; H226-Y228 PolarHBondContact O-N 3.04Å; Y228-I230 PolarHBondContact O-N 3.35Å; Y228-I230 VanDerWaalsContact O-N 3.07Å; Y228-L231 PolarHBondContact O-N 3.07Å; Y228-V249 HydrophobicContact CE1-CB 4.46Å; Y228-V249 HydrophobicContact CE1-CG1 3.97Å; Y228-V249 HydrophobicContact CE1-CG2 4.21Å; Y228-C250 VanDerWaalsContact OH-C 3.29Å; Y228-C250 PolarHBondContact OH-N 2.81Å; Y228-C250 PolarHBondContact OH-O 3.31Å; Y228-S254 VanDerWaalsContact CZ-CB 3.49Å; Y228-S254 WeakPolarHBondContact OH-CB 3.38Å; Y228-S259 VanDerWaalsContact CD2-OG 3.3Å; Y228-S259 WeakPolarHBondContact CD2-OG 3.01Å; Y228-V260 HydrophobicContact CD1-CG2 4.29Å; Y228-V260 HydrophobicContact CD2-CG2 4.02Å; Y228-V260 HydrophobicContact CE2-CG2 4.43Å; Y228-V260 HydrophobicContact CG-CG2 3.92Å; Y228-H268 AromaticContact CE1-CE1 3.85Å; Y228-P269 HydrophobicContact CD1-CB 3.77Å; Y228-P269 HydrophobicContact CD1-CG 3.69Å; Y228-P269 HydrophobicContact CG-CG 4.09Å
229	H	97.6	Very high	98.3	Very high	49 Å²	49	36 Å²	36	23%	0.227	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-69	-1.1	179.3	-75.6	-64.2	0	0	0	114.3	G204 E205 S207 A209 G227 L231 D232	G204-H229 PolarHBondContact O-CD2 3.2Å; G204-H229 VanDerWaalsContact O-CD2 3.3Å; G204-H229 PolarHBondContact O-N 2.73Å; E205-H229 PolarHBondContact O-CD2 2.97Å; E205-H229 PolarHBondContact O-NE2 3.3Å; S207-H229 WeakPolarHBondContact O-CB 3.1Å; A209-H229 VanDerWaalsContact CB-O 3.29Å; A209-H229 WeakPolarHBondContact CB-O 3.07Å; G227-H229 PolarHBondContact O-N 2.99Å; H229-L231 PolarHBondContact O-N 2.75Å; H229-D232 IonicContact CE1-OD2 3.94Å; H229-D232 IonicContact CG-OD2 3.98Å; H229-D232 IonicContact ND1-OD2 3.14Å; H229-D232 PolarHBondContact ND1-OD2 3.18Å; H229-D232 WeakPolarHBondContact O-CB 3.31Å; H229-D232 PolarHBondContact O-N 2.95Å; H229-D232 VanDerWaalsContact O-N 3.09Å
230	I	98.3	Very high	98.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28.5	169.4	-167.1	58.1	0	0	0	112.1	A209 V212 G227 Y228 D232 D233 A236 Y237 L240 F247 F273	A209-I230 HydrophobicContact CB-CD1 4.42Å; V212-I230 HydrophobicContact CB-CD1 4.12Å; V212-I230 HydrophobicContact CG1-CB 4.36Å; V212-I230 HydrophobicContact CG1-CD1 4.06Å; V212-I230 HydrophobicContact CG1-CG1 4.44Å; G227-I230 VanDerWaalsContact O-CB 3.31Å; G227-I230 WeakPolarHBondContact O-CB 3.43Å; G227-I230 WeakPolarHBondContact O-CG2 3.49Å; G227-I230 PolarHBondContact O-N 2.95Å; G227-I230 VanDerWaalsContact O-N 3.1Å; Y228-I230 PolarHBondContact O-N 3.35Å; Y228-I230 VanDerWaalsContact O-N 3.07Å; I230-D232 PolarHBondContact O-N 3.03Å; I230-D233 PolarHBondContact O-N 2.92Å; I230-A236 HydrophobicContact CD1-CB 3.75Å; I230-Y237 HydrophobicContact CG1-CD2 4.38Å; I230-Y237 HydrophobicContact CG2-CD2 4.03Å; I230-L240 HydrophobicContact CD1-CD1 3.75Å; I230-L240 HydrophobicContact CD1-CG 4.47Å; I230-L240 HydrophobicContact CG1-CD1 4.19Å; I230-F247 HydrophobicContact CB-CE1 4.31Å; I230-F247 HydrophobicContact CB-CZ 4.38Å; I230-F247 HydrophobicContact CG1-CZ 4.34Å; I230-F247 HydrophobicContact CG2-CE1 4Å; I230-F247 HydrophobicContact CG2-CZ 4.19Å; I230-F273 HydrophobicContact CG2-CE1 4.14Å; I230-F273 HydrophobicContact CG2-CZ 4.13Å
231	L	97.6	Very high	98.3	Very high	46 Å²	46	36.4 Å²	36.4	24%	0.241	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-67.8	-13.6	178.7	-64.9	-175.5	0	0	0	113.7	Y228 H229 D233 Y237 P269 R272 F273	Y228-L231 PolarHBondContact O-N 3.07Å; H229-L231 PolarHBondContact O-N 2.75Å; L231-D233 PolarHBondContact O-N 3.25Å; L231-Y237 HydrophobicContact CD2-CD2 3.57Å; L231-Y237 HydrophobicContact CD2-CE2 3.51Å; L231-Y237 HydrophobicContact CD2-CG 4.14Å; L231-P269 HydrophobicContact CD1-CB 3.61Å; L231-P269 HydrophobicContact CD1-CG 4.1Å; L231-R272 HydrophobicContact CD1-CB 4.11Å; L231-R272 HydrophobicContact CD1-CG 4.42Å; L231-R272 HydrophobicContact CD2-CB 4.29Å; L231-R272 HydrophobicContact CD2-CG 3.8Å; L231-F273 HydrophobicContact CD2-CE1 4.17Å; L231-F273 HydrophobicContact CG-CE1 4.43Å
232	D	97.6	Very high	98.3	Very high	119 Å²	119	44 Å²	44	64%	0.636	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-75.5	-12.5	176.6	-60.5	-24.9	0	0	0	112.2	H229 I230	H229-D232 IonicContact CE1-OD2 3.94Å; H229-D232 IonicContact CG-OD2 3.98Å; H229-D232 IonicContact ND1-OD2 3.14Å; H229-D232 PolarHBondContact ND1-OD2 3.18Å; H229-D232 WeakPolarHBondContact O-CB 3.31Å; H229-D232 PolarHBondContact O-N 2.95Å; H229-D232 VanDerWaalsContact O-N 3.09Å; I230-D232 PolarHBondContact O-N 3.03Å
233	D	98.4	Very high	98.3	Very high	65 Å²	65	44.2 Å²	44.2	35%	0.348	24%	0.236	S	C	.	.			trans	-132.1	101.9	173.6	-174.7	-28.5	0	0	0	111.1	A209 I230 L231 N235 A236 Y237	A209-D233 HydrophobicContact CB-CB 3.59Å; I230-D233 PolarHBondContact O-N 2.92Å; L231-D233 PolarHBondContact O-N 3.25Å; D233-N235 VanDerWaalsContact C-N 3.26Å; D233-N235 PolarHBondContact O-N 2.94Å; D233-N235 WeakPolarHBondContact OD1-CB 3.29Å; D233-N235 PolarHBondContact OD1-N 3.12Å; D233-A236 HydrophobicContact CB-CB 3.93Å; D233-A236 PolarHBondContact O-N 3Å; D233-A236 PolarHBondContact OD1-N 3.07Å; D233-Y237 WeakPolarHBondContact O-CB 3.37Å; D233-Y237 PolarHBondContact O-N 2.91Å
234	E	98.3	Very high	98.2	Very high	67 Å²	67	46 Å²	46	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-63.4	-27.1	-176.8	-171.8	67.9	-158.5	0	0	113.4	K238 R272	E234-K238 HydrophobicContact CG-CD 4.48Å; E234-K238 WeakPolarHBondContact O-CB 3.37Å; E234-K238 VanDerWaalsContact O-CG 3.3Å; E234-K238 WeakPolarHBondContact O-CG 3.43Å; E234-K238 PolarHBondContact O-N 3.47Å; E234-K238 VanDerWaalsContact O-N 3.11Å; E234-K238 WeakPolarHBondContact OE1-CE 3.47Å; E234-K238 IonicContact OE1-NZ 3.13Å; E234-R272 IonicContact OE1-CZ 3.76Å; E234-R272 IonicContact OE1-NH2 3.22Å; E234-R272 PolarHBondContact OE1-NH2 3.47Å; E234-R272 IonicContact OE2-CZ 2.71Å; E234-R272 IonicContact OE2-NH1 2.73Å; E234-R272 PolarHBondContact OE2-NH1 3.04Å; E234-R272 IonicContact OE2-NH2 3.79Å; E234-R272 PolarHBondContact OE2-NH2 2.73Å
235	N	98.4	Very high	98.2	Very high	129 Å²	129	46.5 Å²	46.5	69%	0.69	26%	0.258	S	S	*	.	H	α-helix	trans	-76.2	-45.2	177.6	-69	-37.1	0	0	0	110.7	D233 Y237 K238 S239	D233-N235 VanDerWaalsContact C-N 3.26Å; D233-N235 PolarHBondContact O-N 2.94Å; D233-N235 WeakPolarHBondContact OD1-CB 3.29Å; D233-N235 PolarHBondContact OD1-N 3.12Å; N235-Y237 VanDerWaalsContact C-N 3.33Å; N235-K238 PolarHBondContact O-N 3.31Å; N235-S239 WeakPolarHBondContact O-CB 3.5Å; N235-S239 PolarHBondContact O-N 2.94Å
236	A	98.2	Very high	98.2	Very high	7 Å²	7	46.7 Å²	46.7	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-45	174.4	0	0	0	0	0	110.7	Y213 I230 D233 K238 S239 L240	Y213-A236 HydrophobicContact CD2-CB 4.07Å; I230-A236 HydrophobicContact CD1-CB 3.75Å; D233-A236 HydrophobicContact CB-CB 3.93Å; D233-A236 PolarHBondContact O-N 3Å; D233-A236 PolarHBondContact OD1-N 3.07Å; A236-K238 PolarHBondContact O-N 3.31Å; A236-S239 PolarHBondContact O-N 3.09Å; A236-L240 WeakPolarHBondContact O-CG 3.48Å; A236-L240 PolarHBondContact O-N 3.1Å
237	Y	98.6	Very high	98.2	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-54.8	-52.6	175.6	174.1	-104.6	0	0	0	112.8	I230 L231 D233 N235 S239 L240 L241 F273 D276 F278	I230-Y237 HydrophobicContact CG1-CD2 4.38Å; I230-Y237 HydrophobicContact CG2-CD2 4.03Å; L231-Y237 HydrophobicContact CD2-CD2 3.57Å; L231-Y237 HydrophobicContact CD2-CE2 3.51Å; L231-Y237 HydrophobicContact CD2-CG 4.14Å; D233-Y237 WeakPolarHBondContact O-CB 3.37Å; D233-Y237 PolarHBondContact O-N 2.91Å; N235-Y237 VanDerWaalsContact C-N 3.33Å; Y237-S239 VanDerWaalsContact C-N 3.32Å; Y237-S239 PolarHBondContact O-N 3.2Å; Y237-L240 PolarHBondContact O-N 2.84Å; Y237-L241 WeakPolarHBondContact O-CB 3.35Å; Y237-L241 PolarHBondContact O-N 3.2Å; Y237-F273 HydrophobicContact CD2-CE1 4.47Å; Y237-F273 AromaticContact CE2-CD1 3.93Å; Y237-F273 HydrophobicContact CE2-CD1 3.93Å; Y237-F273 AromaticContact CE2-CE1 3.79Å; Y237-F273 HydrophobicContact CE2-CE1 3.79Å; Y237-D276 VanDerWaalsContact CE1-OD2 3.23Å; Y237-D276 WeakPolarHBondContact CE1-OD2 3.49Å; Y237-D276 WeakPolarHBondContact OH-CB 3.44Å; Y237-D276 PolarHBondContact OH-OD2 2.82Å; Y237-F278 HydrophobicContact CD2-CD2 4.11Å; Y237-F278 AromaticContact CD2-CE2 3.58Å; Y237-F278 HydrophobicContact CD2-CE2 3.58Å; Y237-F278 AromaticContact CE2-CD2 3.29Å; Y237-F278 HydrophobicContact CE2-CD2 3.29Å; Y237-F278 AromaticContact CE2-CE2 3.26Å; Y237-F278 HydrophobicContact CE2-CE2 3.26Å; Y237-F278 HydrophobicContact CG-CE2 4.42Å; Y237-F278 AromaticContact CZ-CD2 3.61Å; Y237-F278 AromaticContact CZ-CE2 3.87Å
238	K	98.4	Very high	98.3	Very high	99 Å²	99	46.6 Å²	46.6	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-39.9	178.9	-74.8	176	-175.8	169.7	0	112.4	E234 N235 A236 L240 L241 E242	E234-K238 HydrophobicContact CG-CD 4.48Å; E234-K238 WeakPolarHBondContact O-CB 3.37Å; E234-K238 VanDerWaalsContact O-CG 3.3Å; E234-K238 WeakPolarHBondContact O-CG 3.43Å; E234-K238 PolarHBondContact O-N 3.47Å; E234-K238 VanDerWaalsContact O-N 3.11Å; E234-K238 WeakPolarHBondContact OE1-CE 3.47Å; E234-K238 IonicContact OE1-NZ 3.13Å; N235-K238 PolarHBondContact O-N 3.31Å; A236-K238 PolarHBondContact O-N 3.31Å; K238-L240 PolarHBondContact O-N 3.22Å; K238-L241 WeakPolarHBondContact O-CB 3.44Å; K238-L241 PolarHBondContact O-N 3.23Å; K238-E242 WeakPolarHBondContact O-CB 3.16Å; K238-E242 WeakPolarHBondContact O-CG 3.43Å; K238-E242 PolarHBondContact O-N 3.38Å
239	S	98.3	Very high	98.3	Very high	44 Å²	44	46.3 Å²	46.3	31%	0.308	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-44.7	177.5	179.7	0	0	0	0	111.9	N235 A236 Y237 E242 A243	N235-S239 WeakPolarHBondContact O-CB 3.5Å; N235-S239 PolarHBondContact O-N 2.94Å; A236-S239 PolarHBondContact O-N 3.09Å; Y237-S239 VanDerWaalsContact C-N 3.32Å; Y237-S239 PolarHBondContact O-N 3.2Å; S239-E242 PolarHBondContact O-N 2.95Å; S239-A243 WeakPolarHBondContact O-CB 3.36Å; S239-A243 PolarHBondContact O-N 2.98Å
240	L	98.5	Very high	98.3	Very high	2 Å²	2	44 Å²	44	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-72.7	-30.9	178.6	-60.1	-168.4	0	0	0	112.6	V212 Y213 V216 I230 A236 Y237 K238 A243 G244 V245 F247 F278	V212-L240 HydrophobicContact CG1-CD1 3.86Å; Y213-L240 HydrophobicContact CD2-CD2 4.14Å; Y213-L240 HydrophobicContact CD2-CG 4.49Å; V216-L240 HydrophobicContact CB-CD2 4.04Å; V216-L240 HydrophobicContact CG1-CD2 4.04Å; V216-L240 HydrophobicContact CG2-CD1 4.07Å; V216-L240 HydrophobicContact CG2-CD2 3.98Å; I230-L240 HydrophobicContact CD1-CD1 3.75Å; I230-L240 HydrophobicContact CD1-CG 4.47Å; I230-L240 HydrophobicContact CG1-CD1 4.19Å; A236-L240 WeakPolarHBondContact O-CG 3.48Å; A236-L240 PolarHBondContact O-N 3.1Å; Y237-L240 PolarHBondContact O-N 2.84Å; K238-L240 PolarHBondContact O-N 3.22Å; L240-A243 PolarHBondContact O-N 3.09Å; L240-G244 PolarHBondContact O-N 3.02Å; L240-G244 VanDerWaalsContact O-N 3.17Å; L240-V245 HydrophobicContact CB-CB 4.32Å; L240-V245 HydrophobicContact CB-CG2 4.18Å; L240-V245 HydrophobicContact CD2-CG2 4.15Å; L240-V245 PolarHBondContact O-N 2.8Å; L240-V245 VanDerWaalsContact O-N 3.16Å; L240-F247 HydrophobicContact CD1-CZ 4.05Å; L240-F278 VanDerWaalsContact C-CZ 3.5Å; L240-F278 HydrophobicContact CB-CZ 3.97Å
241	L	98.4	Very high	98.3	Very high	50 Å²	50	44 Å²	44	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-50	171.9	176.8	61.8	0	0	0	110.7	Y237 K238 A243 G244 D276 F278	Y237-L241 WeakPolarHBondContact O-CB 3.35Å; Y237-L241 PolarHBondContact O-N 3.2Å; K238-L241 WeakPolarHBondContact O-CB 3.44Å; K238-L241 PolarHBondContact O-N 3.23Å; L241-A243 VanDerWaalsContact C-N 3.31Å; L241-A243 PolarHBondContact O-N 3.42Å; L241-G244 PolarHBondContact O-N 3.22Å; L241-D276 HydrophobicContact CD2-CB 4.17Å; L241-F278 VanDerWaalsContact CA-CZ 3.42Å; L241-F278 HydrophobicContact CB-CD2 3.88Å; L241-F278 HydrophobicContact CB-CE2 3.46Å; L241-F278 VanDerWaalsContact CB-CE2 3.46Å; L241-F278 HydrophobicContact CB-CZ 3.9Å; L241-F278 HydrophobicContact CD1-CB 4.01Å; L241-F278 HydrophobicContact CD1-CD1 4.34Å; L241-F278 HydrophobicContact CD1-CD2 3.52Å; L241-F278 HydrophobicContact CD1-CE2 4.02Å; L241-F278 HydrophobicContact CD1-CG 3.7Å; L241-F278 HydrophobicContact CG-CD2 4.19Å; L241-F278 HydrophobicContact CG-CE2 4.28Å
242	E	98.3	Very high	98.1	Very high	168 Å²	168	42 Å²	42	79%	0.785	24%	0.236	S	C	*	.	H	α-helix	trans	-63.3	-36.4	178.6	-73.6	175.8	-173.5	0	0	112.1	K238 S239 G244	K238-E242 WeakPolarHBondContact O-CB 3.16Å; K238-E242 WeakPolarHBondContact O-CG 3.43Å; K238-E242 PolarHBondContact O-N 3.38Å; S239-E242 PolarHBondContact O-N 2.95Å; E242-G244 PolarHBondContact O-N 3.23Å
243	A	97.9	Very high	98.1	Very high	73 Å²	73	36.3 Å²	36.3	60%	0.603	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.9	174.6	0	0	0	0	0	113.7	S239 L240 L241 V245	S239-A243 WeakPolarHBondContact O-CB 3.36Å; S239-A243 PolarHBondContact O-N 2.98Å; L240-A243 PolarHBondContact O-N 3.09Å; L241-A243 VanDerWaalsContact C-N 3.31Å; L241-A243 PolarHBondContact O-N 3.42Å; A243-V245 VanDerWaalsContact C-N 3.33Å; A243-V245 HydrophobicContact CB-CG2 4.15Å; A243-V245 PolarHBondContact O-N 2.95Å
244	G	97.7	Very high	98	Very high	39 Å²	39	33.2 Å²	33.2	40%	0.402	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	24.9	178.7	0	0	0	0	0	114.4	L240 L241 E242 N279	L240-G244 PolarHBondContact O-N 3.02Å; L240-G244 VanDerWaalsContact O-N 3.17Å; L241-G244 PolarHBondContact O-N 3.22Å; E242-G244 PolarHBondContact O-N 3.23Å; G244-N279 PolarHBondContact O-ND2 3.39Å
245	V	98.5	Very high	97.8	Very high	12 Å²	12	31 Å²	31	7%	0.073	18%	0.178	C	C	.	.			trans	-57.6	137.3	-179.9	175.5	0	0	0	0	110.4	V216 I224 L240 A243 F247 F278	V216-V245 HydrophobicContact CG1-CG2 3.88Å; V216-V245 HydrophobicContact CG2-CG1 3.99Å; V216-V245 HydrophobicContact CG2-CG2 4.13Å; I224-V245 HydrophobicContact CG1-CG1 3.96Å; L240-V245 HydrophobicContact CB-CB 4.32Å; L240-V245 HydrophobicContact CB-CG2 4.18Å; L240-V245 HydrophobicContact CD2-CG2 4.15Å; L240-V245 PolarHBondContact O-N 2.8Å; L240-V245 VanDerWaalsContact O-N 3.16Å; A243-V245 VanDerWaalsContact C-N 3.33Å; A243-V245 HydrophobicContact CB-CG2 4.15Å; A243-V245 PolarHBondContact O-N 2.95Å; V245-F247 HydrophobicContact CB-CE2 4.19Å; V245-F247 HydrophobicContact CG1-CD2 4.27Å; V245-F247 HydrophobicContact CG1-CE2 3.84Å; V245-F278 VanDerWaalsContact O-CE1 3.28Å; V245-F278 WeakPolarHBondContact O-CE1 3.21Å
246	H	98.8	Very high	97.6	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.9	178.3	-170.7	84.3	0	0	0	111.7	R223 I224 N279 S281 A322	R223-H246 CarbonylContact C-O 3.56Å; R223-H246 VanDerWaalsContact CA-O 3.29Å; R223-H246 WeakPolarHBondContact CA-O 3.44Å; R223-H246 HydrophobicContact CB-CB 4.44Å; R223-H246 HydrophobicContact CG-CB 4.09Å; I224-H246 PolarHBondContact N-O 3.36Å; H246-N279 CarbonylContact C-O 3.56Å; H246-N279 VanDerWaalsContact CA-O 3.31Å; H246-N279 WeakPolarHBondContact CA-O 3.24Å; H246-N279 PolarHBondContact ND1-OD1 2.94Å; H246-S281 PolarHBondContact CE1-N 3.3Å; H246-S281 WeakPolarHBondContact NE2-CB 3.28Å; H246-S281 PolarHBondContact NE2-N 3.36Å; H246-S281 PolarHBondContact NE2-OG 3.02Å; H246-S281 VanDerWaalsContact NE2-OG 3.14Å; H246-A322 HydrophobicContact CB-CB 3.83Å; H246-A322 VanDerWaalsContact ND1-CB 3.34Å; H246-A322 WeakPolarHBondContact ND1-CB 3.26Å
247	F	98.8	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.2	173.3	-74.4	-107	0	0	0	110.7	V212 I224 H226 I230 L240 V245 V249 F273 F278 N279 F280 S281	V212-F247 HydrophobicContact CG1-CE1 4.01Å; V212-F247 HydrophobicContact CG1-CZ 4.04Å; I224-F247 HydrophobicContact CB-CD1 4.06Å; I224-F247 HydrophobicContact CB-CE1 4.1Å; I224-F247 HydrophobicContact CB-CG 4.47Å; I224-F247 HydrophobicContact CG1-CZ 4.5Å; I224-F247 HydrophobicContact CG2-CD1 4.01Å; I224-F247 HydrophobicContact CG2-CE1 3.91Å; I224-F247 CarbonylContact O-C 3.33Å; I224-F247 WeakPolarHBondContact O-CA 3.21Å; H226-F247 WeakPolarHBondContact O-CD1 3.35Å; I230-F247 HydrophobicContact CB-CE1 4.31Å; I230-F247 HydrophobicContact CB-CZ 4.38Å; I230-F247 HydrophobicContact CG1-CZ 4.34Å; I230-F247 HydrophobicContact CG2-CE1 4Å; I230-F247 HydrophobicContact CG2-CZ 4.19Å; L240-F247 HydrophobicContact CD1-CZ 4.05Å; V245-F247 HydrophobicContact CB-CE2 4.19Å; V245-F247 HydrophobicContact CG1-CD2 4.27Å; V245-F247 HydrophobicContact CG1-CE2 3.84Å; F247-V249 PolarHBondContact O-N 3.35Å; F247-F273 HydrophobicContact CB-CE2 3.96Å; F247-F273 HydrophobicContact CD1-CE2 4.21Å; F247-F273 HydrophobicContact CD1-CZ 4.08Å; F247-F273 HydrophobicContact CE1-CZ 4.49Å; F247-F273 HydrophobicContact CG-CE2 4.12Å; F247-F273 HydrophobicContact CG-CZ 4.28Å; F247-F278 AromaticContact CD2-CD1 3.86Å; F247-F278 HydrophobicContact CD2-CD1 3.86Å; F247-F278 AromaticContact CD2-CE1 3.41Å; F247-F278 HydrophobicContact CD2-CE1 3.41Å; F247-F278 VanDerWaalsContact CD2-CE1 3.41Å; F247-F278 HydrophobicContact CD2-CZ 4.04Å; F247-F278 HydrophobicContact CE2-CD1 4.16Å; F247-F278 AromaticContact CE2-CE1 3.29Å; F247-F278 HydrophobicContact CE2-CE1 3.29Å; F247-F278 AromaticContact CE2-CZ 3.48Å; F247-F278 HydrophobicContact CE2-CZ 3.48Å; F247-F278 VanDerWaalsContact CE2-CZ 3.48Å; F247-F278 HydrophobicContact CZ-CE1 4.44Å; F247-F278 HydrophobicContact CZ-CZ 4.3Å; F247-N279 PolarHBondContact N-O 2.88Å; F247-F280 HydrophobicContact CB-CB 4.22Å; F247-F280 CarbonylContact O-C 3.56Å; F247-F280 WeakPolarHBondContact O-CA 3.08Å; F247-F280 VanDerWaalsContact O-CB 3.25Å; F247-F280 WeakPolarHBondContact O-CB 3.45Å; F247-S281 PolarHBondContact O-N 2.91Å
248	E	98.9	Very high	97.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	92.2	174.6	-55.6	167.5	168.4	0	0	108.1	L12 H13 R100 R223 I224 H226 N283	L12-E248 HydrophobicContact CB-CG 4.47Å; H13-E248 HydrophobicContact CB-CB 3.83Å; H13-E248 HydrophobicContact CB-CG 4.34Å; H13-E248 IonicContact CE1-OE2 3.28Å; H13-E248 IonicContact CG-OE2 3.56Å; H13-E248 IonicContact ND1-OE2 3.55Å; H13-E248 PolarHBondContact ND1-OE2 3.2Å; R100-E248 IonicContact CZ-OE2 3.25Å; R100-E248 IonicContact NH1-OE2 3.47Å; R100-E248 PolarHBondContact NH1-OE2 3.12Å; R100-E248 VanDerWaalsContact NH2-CD 3.27Å; R100-E248 IonicContact NH2-OE1 3.6Å; R100-E248 PolarHBondContact NH2-OE1 2.93Å; R100-E248 IonicContact NH2-OE2 3.09Å; R100-E248 PolarHBondContact NH2-OE2 2.93Å; R223-E248 HydrophobicContact CB-CG 4.37Å; R223-E248 IonicContact CZ-OE1 2.96Å; R223-E248 IonicContact NE-OE1 3.51Å; R223-E248 PolarHBondContact NE-OE1 3.44Å; R223-E248 IonicContact NH2-OE1 3.25Å; R223-E248 PolarHBondContact NH2-OE1 3.22Å; I224-E248 PolarHBondContact O-N 3Å; H226-E248 PolarHBondContact N-O 3.16Å; E248-N283 WeakPolarHBondContact CA-ND2 3.26Å
249	V	98.7	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.7	-178.3	171.3	0	0	0	0	109.4	Y228 F247 P251 V270 F273 F280 S281 I282 N283	Y228-V249 HydrophobicContact CE1-CB 4.46Å; Y228-V249 HydrophobicContact CE1-CG1 3.97Å; Y228-V249 HydrophobicContact CE1-CG2 4.21Å; F247-V249 PolarHBondContact O-N 3.35Å; V249-P251 HydrophobicContact CG1-CG 4.07Å; V249-V270 HydrophobicContact CG1-CG2 4.5Å; V249-F273 HydrophobicContact CG2-CD2 3.84Å; V249-F273 HydrophobicContact CG2-CE2 3.82Å; V249-F280 HydrophobicContact CB-CD2 4.41Å; V249-F280 HydrophobicContact CG2-CB 4.1Å; V249-F280 HydrophobicContact CG2-CD2 4.14Å; V249-F280 HydrophobicContact CG2-CG 4.38Å; V249-S281 WeakPolarHBondContact CA-O 3.4Å; V249-S281 VanDerWaalsContact CB-O 3.27Å; V249-S281 WeakPolarHBondContact CB-O 3.48Å; V249-S281 PolarHBondContact N-O 3.07Å; V249-I282 HydrophobicContact CB-CD1 4.25Å; V249-I282 HydrophobicContact CG1-CD1 3.99Å; V249-I282 CarbonylContact O-C 3.56Å; V249-I282 WeakPolarHBondContact O-CA 3.37Å; V249-N283 PolarHBondContact N-ND2 3.25Å; V249-N283 PolarHBondContact O-N 2.98Å; V249-N283 PolarHBondContact O-ND2 2.58Å
250	C	98.4	Very high	96.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.138	C	C	.	.			trans	-120.7	86.4	178.1	-55.3	0	0	0	0	108.9	Y228 S253 S254 N283 D285	Y228-C250 VanDerWaalsContact OH-C 3.29Å; Y228-C250 PolarHBondContact OH-N 2.81Å; Y228-C250 PolarHBondContact OH-O 3.31Å; C250-S253 PolarHBondContact O-N 2.89Å; C250-S254 WeakPolarHBondContact O-CB 3.49Å; C250-S254 PolarHBondContact O-N 3.49Å; C250-N283 WeakPolarHBondContact CA-O 3.48Å; C250-D285 HydrophobicContact CB-CB 3.82Å
251	P	96.9	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-47.9	-163.8	-22.4	31.5	0	0	0	114.9	V249 S254 F255 I282 E297 Y300 L305	V249-P251 HydrophobicContact CG1-CG 4.07Å; P251-S254 PolarHBondContact O-OG 3.49Å; P251-F255 WeakPolarHBondContact O-CD2 3.39Å; P251-F255 WeakPolarHBondContact O-CE2 3.39Å; P251-I282 HydrophobicContact CG-CD1 3.93Å; P251-I282 HydrophobicContact CG-CG2 3.92Å; P251-E297 WeakPolarHBondContact CD-OE2 3.48Å; P251-Y300 HydrophobicContact CB-CD1 4.31Å; P251-Y300 HydrophobicContact CB-CE1 4.22Å; P251-L305 HydrophobicContact CB-CD1 3.8Å
252	S	95	Very high	95.5	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-72.9	-35	178.8	-54.6	0	0	0	0	112.2	S254 F255 V256 R292 E297 Y300	S252-S254 VanDerWaalsContact C-N 3.34Å; S252-S254 PolarHBondContact O-N 3.06Å; S252-F255 PolarHBondContact O-N 2.85Å; S252-V256 WeakPolarHBondContact O-CG2 3.17Å; S252-V256 PolarHBondContact O-N 3.35Å; S252-R292 WeakPolarHBondContact OG-CD 3.49Å; S252-R292 PolarHBondContact OG-NE 3.5Å; S252-E297 WeakPolarHBondContact CB-OE1 3.31Å; S252-E297 PolarHBondContact N-OE2 3.22Å; S252-E297 VanDerWaalsContact OG-CD 3.27Å; S252-E297 PolarHBondContact OG-OE1 3.21Å; S252-E297 PolarHBondContact OG-OE2 3.14Å; S252-Y300 WeakPolarHBondContact OG-CD1 3.43Å
253	S	96.7	Very high	94.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-45.6	176.2	-174.2	0	0	0	0	111	C250 F255 V256 T257 D285	C250-S253 PolarHBondContact O-N 2.89Å; S253-F255 PolarHBondContact O-N 3.09Å; S253-V256 CarbonylContact O-C 3.59Å; S253-V256 PolarHBondContact O-N 3.38Å; S253-T257 WeakPolarHBondContact O-CG2 3.31Å; S253-T257 PolarHBondContact O-N 2.94Å; S253-T257 PolarHBondContact O-OG1 2.85Å; S253-T257 VanDerWaalsContact O-OG1 3.09Å; S253-D285 VanDerWaalsContact CB-OD2 3.28Å; S253-D285 WeakPolarHBondContact CB-OD2 3.42Å; S253-D285 PolarHBondContact OG-OD2 2.67Å
254	S	96.6	Very high	94.2	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-54.9	-33.1	-177.1	78.4	0	0	0	0	114.3	Y228 C250 P251 S252 T257 G258 S259 V260 H268	Y228-S254 VanDerWaalsContact CZ-CB 3.49Å; Y228-S254 WeakPolarHBondContact OH-CB 3.38Å; C250-S254 WeakPolarHBondContact O-CB 3.49Å; C250-S254 PolarHBondContact O-N 3.49Å; P251-S254 PolarHBondContact O-OG 3.49Å; S252-S254 VanDerWaalsContact C-N 3.34Å; S252-S254 PolarHBondContact O-N 3.06Å; S254-T257 PolarHBondContact O-OG1 3.15Å; S254-G258 PolarHBondContact O-N 2.99Å; S254-S259 PolarHBondContact O-N 3.37Å; S254-V260 PolarHBondContact O-N 3.45Å; S254-H268 PolarHBondContact OG-CD2 3.14Å; S254-H268 PolarHBondContact OG-NE2 2.99Å
255	F	94.3	Very high	93.5	Very high	20 Å²	20	25 Å²	25	9%	0.088	15%	0.152	C	C	.	.	H	α-helix	trans	-77.9	-40.2	175.2	-64.2	-59.4	0	0	0	112.6	H54 P251 S252 S253 G258 V260 H268 Y300 L305	H54-F255 VanDerWaalsContact CB-O 3.28Å; H54-F255 WeakPolarHBondContact CB-O 3.44Å; P251-F255 WeakPolarHBondContact O-CD2 3.39Å; P251-F255 WeakPolarHBondContact O-CE2 3.39Å; S252-F255 PolarHBondContact O-N 2.85Å; S253-F255 PolarHBondContact O-N 3.09Å; F255-G258 PolarHBondContact O-N 3.27Å; F255-V260 HydrophobicContact CD1-CB 4.08Å; F255-V260 HydrophobicContact CD1-CG1 4.03Å; F255-V260 WeakPolarHBondContact CD1-O 3.27Å; F255-V260 HydrophobicContact CE1-CB 4.09Å; F255-V260 HydrophobicContact CE1-CG1 3.55Å; F255-V260 HydrophobicContact CZ-CG1 4.32Å; F255-H268 AromaticContact CE2-CD2 3.76Å; F255-H268 HydrophobicContact CZ-CB 4.17Å; F255-H268 AromaticContact CZ-CD2 3.48Å; F255-H268 VanDerWaalsContact CZ-CD2 3.48Å; F255-H268 WeakPolarHBondContact CZ-CD2 3.28Å; F255-Y300 HydrophobicContact CD2-CE1 4.3Å; F255-Y300 VanDerWaalsContact CD2-OH 3.23Å; F255-Y300 WeakPolarHBondContact CD2-OH 3.34Å; F255-Y300 AromaticContact CE2-CE1 3.98Å; F255-Y300 HydrophobicContact CE2-CE1 3.98Å; F255-Y300 AromaticContact CE2-CZ 3.86Å; F255-Y300 WeakPolarHBondContact CE2-OH 3.38Å; F255-L305 HydrophobicContact CE2-CD2 3.98Å; F255-L305 HydrophobicContact CZ-CD2 3.94Å
256	V	93.1	Very high	92.9	Very high	23 Å²	23	29.9 Å²	29.9	14%	0.139	18%	0.177	C	C	.	.	H	α-helix	trans	-77	-25.7	-176.1	-176	0	0	0	0	111.6	P50 H54 F59 S252 S253 G258	P50-V256 HydrophobicContact CB-CG1 3.48Å; P50-V256 VanDerWaalsContact CB-CG1 3.48Å; P50-V256 HydrophobicContact CG-CG1 3.43Å; P50-V256 VanDerWaalsContact CG-CG1 3.43Å; H54-V256 WeakPolarHBondContact CB-O 3.41Å; F59-V256 HydrophobicContact CD2-CB 4.43Å; F59-V256 HydrophobicContact CD2-CG1 3.98Å; F59-V256 HydrophobicContact CE2-CG1 4.37Å; S252-V256 WeakPolarHBondContact O-CG2 3.17Å; S252-V256 PolarHBondContact O-N 3.35Å; S253-V256 CarbonylContact O-C 3.59Å; S253-V256 PolarHBondContact O-N 3.38Å; V256-G258 VanDerWaalsContact C-N 3.3Å
257	T	95	Very high	92.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.9	170	64.7	0	0	0	0	112.8	S55 L56 F59 E205 S253 S254 S259	S55-T257 CarbonylContact C-O 3.58Å; S55-T257 WeakPolarHBondContact CA-O 3.46Å; L56-T257 HydrophobicContact CD1-CG2 4Å; L56-T257 PolarHBondContact N-O 3.03Å; F59-T257 HydrophobicContact CB-CG2 4.01Å; F59-T257 HydrophobicContact CD1-CG2 4.02Å; F59-T257 HydrophobicContact CD2-CG2 3.49Å; F59-T257 VanDerWaalsContact CD2-CG2 3.49Å; F59-T257 HydrophobicContact CE1-CG2 4.29Å; F59-T257 HydrophobicContact CE2-CG2 3.83Å; F59-T257 HydrophobicContact CG-CG2 3.6Å; F59-T257 HydrophobicContact CZ-CG2 4.19Å; E205-T257 WeakPolarHBondContact OE1-CB 3.46Å; E205-T257 WeakPolarHBondContact OE1-CG2 3.43Å; E205-T257 PolarHBondContact OE1-OG1 3.06Å; S253-T257 WeakPolarHBondContact O-CG2 3.31Å; S253-T257 PolarHBondContact O-N 2.94Å; S253-T257 PolarHBondContact O-OG1 2.85Å; S253-T257 VanDerWaalsContact O-OG1 3.09Å; S254-T257 PolarHBondContact O-OG1 3.15Å; T257-S259 PolarHBondContact O-N 3.13Å
258	G	93.7	Very high	92.3	Very high	34 Å²	34	34.8 Å²	34.8	35%	0.351	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	11.2	179.4	0	0	0	0	0	114.4	S254 F255 V256 V260	S254-G258 PolarHBondContact O-N 2.99Å; F255-G258 PolarHBondContact O-N 3.27Å; V256-G258 VanDerWaalsContact C-N 3.3Å; G258-V260 VanDerWaalsContact C-N 3.33Å
259	S	94.8	Very high	92.3	Very high	12 Å²	12	35.4 Å²	35.4	8%	0.084	21%	0.208	C	C	.	.	S	Bend	trans	-65.7	-38.4	174.9	-173.4	0	0	0	0	112.1	E205 Y228 S254 T257	E205-S259 WeakPolarHBondContact CA-OG 3.23Å; E205-S259 WeakPolarHBondContact O-CB 3.35Å; E205-S259 PolarHBondContact O-OG 3.46Å; Y228-S259 VanDerWaalsContact CD2-OG 3.3Å; Y228-S259 WeakPolarHBondContact CD2-OG 3.01Å; S254-S259 PolarHBondContact O-N 3.37Å; T257-S259 PolarHBondContact O-N 3.13Å
260	V	94.6	Very high	92.2	Very high	11 Å²	11	35.4 Å²	35.4	7%	0.067	21%	0.208	C	C	.	.	S	Bend	trans	-115.3	135.7	176.4	-178.5	0	0	0	0	108.9	Y228 S254 F255 G258 G262 H268 P269	Y228-V260 HydrophobicContact CD1-CG2 4.29Å; Y228-V260 HydrophobicContact CD2-CG2 4.02Å; Y228-V260 HydrophobicContact CE2-CG2 4.43Å; Y228-V260 HydrophobicContact CG-CG2 3.92Å; S254-V260 PolarHBondContact O-N 3.45Å; F255-V260 HydrophobicContact CD1-CB 4.08Å; F255-V260 HydrophobicContact CD1-CG1 4.03Å; F255-V260 WeakPolarHBondContact CD1-O 3.27Å; F255-V260 HydrophobicContact CE1-CB 4.09Å; F255-V260 HydrophobicContact CE1-CG1 3.55Å; F255-V260 HydrophobicContact CZ-CG1 4.32Å; G258-V260 VanDerWaalsContact C-N 3.33Å; V260-G262 PolarHBondContact O-N 2.63Å; V260-G262 VanDerWaalsContact O-N 3.16Å; V260-H268 HydrophobicContact CG1-CB 4.37Å; V260-P269 HydrophobicContact CG2-CG 3.98Å
261	D	87.6	Confident	92.2	Very high	86 Å²	86	38 Å²	38	46%	0.46	22%	0.219	S	C	.	.			trans	-67.5	112.7	174.5	-178.1	9.7	0	0	0	111.1	Q263	D261-Q263 PolarHBondContact O-N 3.25Å; D261-Q263 WeakPolarHBondContact OD1-CB 3.41Å; D261-Q263 VanDerWaalsContact OD1-CG 3.3Å; D261-Q263 WeakPolarHBondContact OD1-CG 3.15Å; D261-Q263 PolarHBondContact OD1-N 2.8Å
262	G	82.1	Confident	92.2	Very high	49 Å²	49	42.2 Å²	42.2	51%	0.505	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-1.2	178.3	0	0	0	0	0	115.5	V260 N264	V260-G262 PolarHBondContact O-N 2.63Å; V260-G262 VanDerWaalsContact O-N 3.16Å; G262-N264 VanDerWaalsContact C-N 3.31Å
263	Q	82.8	Confident	92.4	Very high	175 Å²	175	42.1 Å²	42.1	82%	0.818	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-27.6	178.1	-69.7	-177.6	41.1	0	0	113.3	D261	D261-Q263 PolarHBondContact O-N 3.25Å; D261-Q263 WeakPolarHBondContact OD1-CB 3.41Å; D261-Q263 VanDerWaalsContact OD1-CG 3.3Å; D261-Q263 WeakPolarHBondContact OD1-CG 3.15Å; D261-Q263 PolarHBondContact OD1-N 2.8Å
264	N	84.3	Confident	92.4	Very high	57 Å²	57	43.3 Å²	43.3	31%	0.305	24%	0.241	S	C	.	.			trans	-135.5	103.9	176.8	-176.3	8.8	0	0	0	111.1	G262 N266 N267	G262-N264 VanDerWaalsContact C-N 3.31Å; N264-N266 PolarHBondContact O-N 2.97Å; N264-N266 WeakPolarHBondContact OD1-CB 2.9Å; N264-N266 PolarHBondContact OD1-N 3.43Å; N264-N266 VanDerWaalsContact OD1-N 3.09Å; N264-N266 PolarHBondContact OD1-ND2 3.43Å; N264-N267 HydrophobicContact CB-CB 4.44Å; N264-N267 PolarHBondContact ND2-OD1 3.02Å; N264-N267 VanDerWaalsContact ND2-OD1 3.11Å; N264-N267 WeakPolarHBondContact O-CB 3.24Å; N264-N267 PolarHBondContact O-N 3.2Å
265	P	83.8	Confident	92.5	Very high	41 Å²	41	46.8 Å²	46.8	27%	0.266	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-51	-30	174.6	-31.4	37.9	0	0	0	114.8	N267 H268 H271 E304 L305	P265-N267 PolarHBondContact O-N 3.11Å; P265-H268 WeakPolarHBondContact O-CB 3.49Å; P265-H268 PolarHBondContact O-N 2.73Å; P265-H271 PolarHBondContact O-NE2 3.11Å; P265-E304 VanDerWaalsContact CB-O 3.27Å; P265-E304 WeakPolarHBondContact CB-O 3.45Å; P265-L305 HydrophobicContact CB-CD2 3.95Å
266	N	86.8	Confident	92.7	Very high	114 Å²	114	48.6 Å²	48.6	61%	0.61	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-70.4	-15.5	178.8	-61.1	-54.9	0	0	0	113.5	N264 H268 H271	N264-N266 PolarHBondContact O-N 2.97Å; N264-N266 WeakPolarHBondContact OD1-CB 2.9Å; N264-N266 PolarHBondContact OD1-N 3.43Å; N264-N266 VanDerWaalsContact OD1-N 3.09Å; N264-N266 PolarHBondContact OD1-ND2 3.43Å; N266-H268 VanDerWaalsContact C-N 3.3Å; N266-H271 PolarHBondContact O-CD2 3.05Å
267	N	88.8	Confident	92.9	Very high	104 Å²	104	56.3 Å²	56.3	56%	0.556	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-86	-3	176.8	-69.6	-3.8	0	0	0	112.5	N264 P265	N264-N267 HydrophobicContact CB-CB 4.44Å; N264-N267 PolarHBondContact ND2-OD1 3.02Å; N264-N267 VanDerWaalsContact ND2-OD1 3.11Å; N264-N267 WeakPolarHBondContact O-CB 3.24Å; N264-N267 PolarHBondContact O-N 3.2Å; P265-N267 PolarHBondContact O-N 3.11Å
268	H	96.3	Very high	93	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.009	31%	0.312	C	S	.	.			trans	-62.2	129.6	-179.4	-168.8	-79.1	0	0	0	110.5	Y228 S254 F255 V260 P265 N266 V270 H271 L305	Y228-H268 AromaticContact CE1-CE1 3.85Å; S254-H268 PolarHBondContact OG-CD2 3.14Å; S254-H268 PolarHBondContact OG-NE2 2.99Å; F255-H268 AromaticContact CE2-CD2 3.76Å; F255-H268 HydrophobicContact CZ-CB 4.17Å; F255-H268 AromaticContact CZ-CD2 3.48Å; F255-H268 VanDerWaalsContact CZ-CD2 3.48Å; F255-H268 WeakPolarHBondContact CZ-CD2 3.28Å; V260-H268 HydrophobicContact CG1-CB 4.37Å; P265-H268 WeakPolarHBondContact O-CB 3.49Å; P265-H268 PolarHBondContact O-N 2.73Å; N266-H268 VanDerWaalsContact C-N 3.3Å; H268-V270 HydrophobicContact CB-CG1 4.1Å; H268-V270 VanDerWaalsContact ND1-CB 3.25Å; H268-V270 WeakPolarHBondContact ND1-CB 3.48Å; H268-V270 WeakPolarHBondContact ND1-CG1 3.47Å; H268-V270 PolarHBondContact ND1-N 2.98Å; H268-V270 VanDerWaalsContact ND1-N 3.18Å; H268-V270 PolarHBondContact O-N 2.97Å; H268-H271 PolarHBondContact O-CD2 3.09Å; H268-H271 PolarHBondContact O-N 3.2Å; H268-L305 HydrophobicContact CB-CD2 4.25Å
269	P	97	Very high	93.3	Very high	13 Å²	13	56.8 Å²	56.8	8%	0.084	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-27.4	-177	-33.2	37.9	0	0	0	115.5	Y228 L231 V260 H271 R272 F273	Y228-P269 HydrophobicContact CD1-CB 3.77Å; Y228-P269 HydrophobicContact CD1-CG 3.69Å; Y228-P269 HydrophobicContact CG-CG 4.09Å; L231-P269 HydrophobicContact CD1-CB 3.61Å; L231-P269 HydrophobicContact CD1-CG 4.1Å; V260-P269 HydrophobicContact CG2-CG 3.98Å; P269-H271 PolarHBondContact O-N 2.92Å; P269-H271 VanDerWaalsContact O-N 3.11Å; P269-R272 WeakPolarHBondContact O-CB 3.23Å; P269-R272 PolarHBondContact O-N 2.92Å; P269-F273 PolarHBondContact O-N 3.2Å
270	V	97.9	Very high	93.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-51.1	-33.4	175.1	74	0	0	0	0	113	V249 H268 R272 F273 I274 F280 I282 L305 I307	V249-V270 HydrophobicContact CG1-CG2 4.5Å; H268-V270 HydrophobicContact CB-CG1 4.1Å; H268-V270 VanDerWaalsContact ND1-CB 3.25Å; H268-V270 WeakPolarHBondContact ND1-CB 3.48Å; H268-V270 WeakPolarHBondContact ND1-CG1 3.47Å; H268-V270 PolarHBondContact ND1-N 2.98Å; H268-V270 VanDerWaalsContact ND1-N 3.18Å; H268-V270 PolarHBondContact O-N 2.97Å; V270-R272 VanDerWaalsContact C-N 3.35Å; V270-R272 PolarHBondContact O-N 3.39Å; V270-F273 PolarHBondContact O-N 3.12Å; V270-I274 HydrophobicContact CG2-CD1 4Å; V270-I274 HydrophobicContact CG2-CG1 4.37Å; V270-I274 WeakPolarHBondContact O-CB 3.41Å; V270-I274 VanDerWaalsContact O-CG1 3.23Å; V270-I274 WeakPolarHBondContact O-CG1 3.45Å; V270-I274 PolarHBondContact O-N 2.56Å; V270-F280 HydrophobicContact CG2-CD2 4.46Å; V270-F280 HydrophobicContact CG2-CE2 3.8Å; V270-F280 HydrophobicContact CG2-CZ 4.03Å; V270-I282 HydrophobicContact CG2-CD1 4.2Å; V270-L305 HydrophobicContact CG1-CD1 4.45Å; V270-I307 HydrophobicContact CB-CD1 4.47Å; V270-I307 HydrophobicContact CG1-CD1 3.8Å; V270-I307 HydrophobicContact CG1-CG1 4.46Å; V270-I307 HydrophobicContact CG2-CD1 3.84Å
271	H	97.5	Very high	93.7	Very high	53 Å²	53	56.1 Å²	56.1	25%	0.245	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-41.2	178.2	-73.1	-57.3	0	0	0	112	P265 N266 H268 P269 I274 A275 L305	P265-H271 PolarHBondContact O-NE2 3.11Å; N266-H271 PolarHBondContact O-CD2 3.05Å; H268-H271 PolarHBondContact O-CD2 3.09Å; H268-H271 PolarHBondContact O-N 3.2Å; P269-H271 PolarHBondContact O-N 2.92Å; P269-H271 VanDerWaalsContact O-N 3.11Å; H271-I274 PolarHBondContact O-N 3.04Å; H271-A275 WeakPolarHBondContact O-CB 3.41Å; H271-A275 PolarHBondContact O-N 2.98Å; H271-L305 PolarHBondContact CE1-O 3.44Å; H271-L305 PolarHBondContact NE2-O 3.19Å; H271-L305 VanDerWaalsContact NE2-O 3.14Å
272	R	97.6	Very high	94.2	Very high	90 Å²	90	53 Å²	53	34%	0.34	28%	0.284	S	S	.	.	H	α-helix	trans	-68	-43.1	174.9	-172.2	67.3	-172.1	-87	-5.4	110.7	L231 E234 P269 V270 I274 A275 D276	L231-R272 HydrophobicContact CD1-CB 4.11Å; L231-R272 HydrophobicContact CD1-CG 4.42Å; L231-R272 HydrophobicContact CD2-CB 4.29Å; L231-R272 HydrophobicContact CD2-CG 3.8Å; E234-R272 IonicContact OE1-CZ 3.76Å; E234-R272 IonicContact OE1-NH2 3.22Å; E234-R272 PolarHBondContact OE1-NH2 3.47Å; E234-R272 IonicContact OE2-CZ 2.71Å; E234-R272 IonicContact OE2-NH1 2.73Å; E234-R272 PolarHBondContact OE2-NH1 3.04Å; E234-R272 IonicContact OE2-NH2 3.79Å; E234-R272 PolarHBondContact OE2-NH2 2.73Å; P269-R272 WeakPolarHBondContact O-CB 3.23Å; P269-R272 PolarHBondContact O-N 2.92Å; V270-R272 VanDerWaalsContact C-N 3.35Å; V270-R272 PolarHBondContact O-N 3.39Å; R272-I274 VanDerWaalsContact C-N 3.31Å; R272-I274 PolarHBondContact O-N 3.45Å; R272-A275 PolarHBondContact O-N 2.94Å; R272-D276 IonicContact CZ-OD2 3.77Å; R272-D276 IonicContact NE-OD1 3.41Å; R272-D276 IonicContact NE-OD2 3.35Å; R272-D276 PolarHBondContact NE-OD2 2.89Å; R272-D276 IonicContact NH2-OD2 2.76Å; R272-D276 PolarHBondContact NH2-OD2 3.09Å; R272-D276 PolarHBondContact O-N 3.49Å
273	F	98.4	Very high	95	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-40.2	176.6	-66.8	-3.6	0	0	0	112.1	I230 L231 Y237 F247 V249 P269 V270 K277 F278 F280	I230-F273 HydrophobicContact CG2-CE1 4.14Å; I230-F273 HydrophobicContact CG2-CZ 4.13Å; L231-F273 HydrophobicContact CD2-CE1 4.17Å; L231-F273 HydrophobicContact CG-CE1 4.43Å; Y237-F273 HydrophobicContact CD2-CE1 4.47Å; Y237-F273 AromaticContact CE2-CD1 3.93Å; Y237-F273 HydrophobicContact CE2-CD1 3.93Å; Y237-F273 AromaticContact CE2-CE1 3.79Å; Y237-F273 HydrophobicContact CE2-CE1 3.79Å; F247-F273 HydrophobicContact CB-CE2 3.96Å; F247-F273 HydrophobicContact CD1-CE2 4.21Å; F247-F273 HydrophobicContact CD1-CZ 4.08Å; F247-F273 HydrophobicContact CE1-CZ 4.49Å; F247-F273 HydrophobicContact CG-CE2 4.12Å; F247-F273 HydrophobicContact CG-CZ 4.28Å; V249-F273 HydrophobicContact CG2-CD2 3.84Å; V249-F273 HydrophobicContact CG2-CE2 3.82Å; P269-F273 PolarHBondContact O-N 3.2Å; V270-F273 PolarHBondContact O-N 3.12Å; F273-K277 CarbonylContact O-C 3.59Å; F273-K277 WeakPolarHBondContact O-CA 3.12Å; F273-K277 PolarHBondContact O-N 3.45Å; F273-F278 HydrophobicContact CB-CB 3.85Å; F273-F278 HydrophobicContact CD1-CB 4.24Å; F273-F278 HydrophobicContact CD1-CD2 4.21Å; F273-F278 HydrophobicContact CD1-CG 4.35Å; F273-F278 HydrophobicContact CG-CB 4.11Å; F273-F278 PolarHBondContact O-N 2.88Å; F273-F280 HydrophobicContact CB-CD1 3.71Å; F273-F280 HydrophobicContact CB-CE1 3.98Å; F273-F280 HydrophobicContact CB-CG 4.38Å; F273-F280 HydrophobicContact CD2-CB 4.22Å; F273-F280 HydrophobicContact CD2-CD1 4.44Å; F273-F280 HydrophobicContact CD2-CG 4.33Å
274	I	98.1	Very high	95.7	Very high	26 Å²	26	42.4 Å²	42.4	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-49.5	174.6	-74.6	167.7	0	0	0	111.2	V270 H271 R272 D276 K277 F280 I307 Q311	V270-I274 HydrophobicContact CG2-CD1 4Å; V270-I274 HydrophobicContact CG2-CG1 4.37Å; V270-I274 WeakPolarHBondContact O-CB 3.41Å; V270-I274 VanDerWaalsContact O-CG1 3.23Å; V270-I274 WeakPolarHBondContact O-CG1 3.45Å; V270-I274 PolarHBondContact O-N 2.56Å; H271-I274 PolarHBondContact O-N 3.04Å; R272-I274 VanDerWaalsContact C-N 3.31Å; R272-I274 PolarHBondContact O-N 3.45Å; I274-D276 VanDerWaalsContact C-N 3.31Å; I274-D276 PolarHBondContact O-N 3.45Å; I274-K277 PolarHBondContact O-N 3.42Å; I274-F280 HydrophobicContact CD1-CZ 4.28Å; I274-F280 HydrophobicContact CG1-CE1 3.85Å; I274-F280 HydrophobicContact CG1-CZ 3.55Å; I274-I307 HydrophobicContact CD1-CD1 4.29Å; I274-I307 HydrophobicContact CD1-CG1 3.98Å; I274-I307 HydrophobicContact CD1-CG2 3.89Å; I274-Q311 HydrophobicContact CD1-CB 4.35Å; I274-Q311 HydrophobicContact CG2-CG 4.07Å
275	A	97.8	Very high	96.4	Very high	72 Å²	72	39.8 Å²	39.8	60%	0.595	21%	0.207	S	C	*	.	H	α-helix	trans	-60	-42.4	-176.6	0	0	0	0	0	111.9	H271 R272 K277	H271-A275 WeakPolarHBondContact O-CB 3.41Å; H271-A275 PolarHBondContact O-N 2.98Å; R272-A275 PolarHBondContact O-N 2.94Å; A275-K277 VanDerWaalsContact C-N 3.33Å
276	D	98.3	Very high	97.1	Very high	59 Å²	59	38 Å²	38	32%	0.316	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-0.3	-178.5	-63.7	-17.6	0	0	0	113.1	Y237 L241 R272 I274 F278	Y237-D276 VanDerWaalsContact CE1-OD2 3.23Å; Y237-D276 WeakPolarHBondContact CE1-OD2 3.49Å; Y237-D276 WeakPolarHBondContact OH-CB 3.44Å; Y237-D276 PolarHBondContact OH-OD2 2.82Å; L241-D276 HydrophobicContact CD2-CB 4.17Å; R272-D276 IonicContact CZ-OD2 3.77Å; R272-D276 IonicContact NE-OD1 3.41Å; R272-D276 IonicContact NE-OD2 3.35Å; R272-D276 PolarHBondContact NE-OD2 2.89Å; R272-D276 IonicContact NH2-OD2 2.76Å; R272-D276 PolarHBondContact NH2-OD2 3.09Å; R272-D276 PolarHBondContact O-N 3.49Å; I274-D276 VanDerWaalsContact C-N 3.31Å; I274-D276 PolarHBondContact O-N 3.45Å; D276-F278 VanDerWaalsContact C-N 3.28Å; D276-F278 PolarHBondContact O-N 3.35Å
277	K	97.5	Very high	97.6	Very high	185 Å²	185	32.7 Å²	32.7	80%	0.804	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	39.5	-175.8	-53.2	176.8	-176.9	172.9	0	113.2	F273 I274 A275	F273-K277 CarbonylContact O-C 3.59Å; F273-K277 WeakPolarHBondContact O-CA 3.12Å; F273-K277 PolarHBondContact O-N 3.45Å; I274-K277 PolarHBondContact O-N 3.42Å; A275-K277 VanDerWaalsContact C-N 3.33Å
278	F	98.3	Very high	98	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	15%	0.145	C	C	.	.			trans	-58.9	147.2	171.8	-140	-63.4	0	0	0	110.3	Y237 L240 L241 V245 F247 F273 D276 F280	Y237-F278 HydrophobicContact CD2-CD2 4.11Å; Y237-F278 AromaticContact CD2-CE2 3.58Å; Y237-F278 HydrophobicContact CD2-CE2 3.58Å; Y237-F278 AromaticContact CE2-CD2 3.29Å; Y237-F278 HydrophobicContact CE2-CD2 3.29Å; Y237-F278 AromaticContact CE2-CE2 3.26Å; Y237-F278 HydrophobicContact CE2-CE2 3.26Å; Y237-F278 HydrophobicContact CG-CE2 4.42Å; Y237-F278 AromaticContact CZ-CD2 3.61Å; Y237-F278 AromaticContact CZ-CE2 3.87Å; L240-F278 VanDerWaalsContact C-CZ 3.5Å; L240-F278 HydrophobicContact CB-CZ 3.97Å; L241-F278 VanDerWaalsContact CA-CZ 3.42Å; L241-F278 HydrophobicContact CB-CD2 3.88Å; L241-F278 HydrophobicContact CB-CE2 3.46Å; L241-F278 VanDerWaalsContact CB-CE2 3.46Å; L241-F278 HydrophobicContact CB-CZ 3.9Å; L241-F278 HydrophobicContact CD1-CB 4.01Å; L241-F278 HydrophobicContact CD1-CD1 4.34Å; L241-F278 HydrophobicContact CD1-CD2 3.52Å; L241-F278 HydrophobicContact CD1-CE2 4.02Å; L241-F278 HydrophobicContact CD1-CG 3.7Å; L241-F278 HydrophobicContact CG-CD2 4.19Å; L241-F278 HydrophobicContact CG-CE2 4.28Å; V245-F278 VanDerWaalsContact O-CE1 3.28Å; V245-F278 WeakPolarHBondContact O-CE1 3.21Å; F247-F278 AromaticContact CD2-CD1 3.86Å; F247-F278 HydrophobicContact CD2-CD1 3.86Å; F247-F278 AromaticContact CD2-CE1 3.41Å; F247-F278 HydrophobicContact CD2-CE1 3.41Å; F247-F278 VanDerWaalsContact CD2-CE1 3.41Å; F247-F278 HydrophobicContact CD2-CZ 4.04Å; F247-F278 HydrophobicContact CE2-CD1 4.16Å; F247-F278 AromaticContact CE2-CE1 3.29Å; F247-F278 HydrophobicContact CE2-CE1 3.29Å; F247-F278 AromaticContact CE2-CZ 3.48Å; F247-F278 HydrophobicContact CE2-CZ 3.48Å; F247-F278 VanDerWaalsContact CE2-CZ 3.48Å; F247-F278 HydrophobicContact CZ-CE1 4.44Å; F247-F278 HydrophobicContact CZ-CZ 4.3Å; F273-F278 HydrophobicContact CB-CB 3.85Å; F273-F278 HydrophobicContact CD1-CB 4.24Å; F273-F278 HydrophobicContact CD1-CD2 4.21Å; F273-F278 HydrophobicContact CD1-CG 4.35Å; F273-F278 HydrophobicContact CG-CB 4.11Å; F273-F278 PolarHBondContact O-N 2.88Å; D276-F278 VanDerWaalsContact C-N 3.28Å; D276-F278 PolarHBondContact O-N 3.35Å; F278-F280 VanDerWaalsContact O-CD1 3.27Å; F278-F280 WeakPolarHBondContact O-CD1 3.01Å; F278-F280 PolarHBondContact O-N 3.22Å
279	N	98.5	Very high	98	Very high	41 Å²	41	28.4 Å²	28.4	22%	0.219	15%	0.145	C	C	.	.			trans	-74.8	107	173.1	-176.9	17	0	0	0	110.2	G244 H246 F247 N318	G244-N279 PolarHBondContact O-ND2 3.39Å; H246-N279 CarbonylContact C-O 3.56Å; H246-N279 VanDerWaalsContact CA-O 3.31Å; H246-N279 WeakPolarHBondContact CA-O 3.24Å; H246-N279 PolarHBondContact ND1-OD1 2.94Å; F247-N279 PolarHBondContact N-O 2.88Å; N279-N318 WeakPolarHBondContact OD1-CB 3.31Å
280	F	98.8	Very high	98	Very high	10 Å²	10	28 Å²	28	4%	0.044	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	159.9	177.2	74.6	-87.7	0	0	0	112.5	F247 V249 V270 F273 I274 F278 I282 A315 N318	F247-F280 HydrophobicContact CB-CB 4.22Å; F247-F280 CarbonylContact O-C 3.56Å; F247-F280 WeakPolarHBondContact O-CA 3.08Å; F247-F280 VanDerWaalsContact O-CB 3.25Å; F247-F280 WeakPolarHBondContact O-CB 3.45Å; V249-F280 HydrophobicContact CB-CD2 4.41Å; V249-F280 HydrophobicContact CG2-CB 4.1Å; V249-F280 HydrophobicContact CG2-CD2 4.14Å; V249-F280 HydrophobicContact CG2-CG 4.38Å; V270-F280 HydrophobicContact CG2-CD2 4.46Å; V270-F280 HydrophobicContact CG2-CE2 3.8Å; V270-F280 HydrophobicContact CG2-CZ 4.03Å; F273-F280 HydrophobicContact CB-CD1 3.71Å; F273-F280 HydrophobicContact CB-CE1 3.98Å; F273-F280 HydrophobicContact CB-CG 4.38Å; F273-F280 HydrophobicContact CD2-CB 4.22Å; F273-F280 HydrophobicContact CD2-CD1 4.44Å; F273-F280 HydrophobicContact CD2-CG 4.33Å; I274-F280 HydrophobicContact CD1-CZ 4.28Å; I274-F280 HydrophobicContact CG1-CE1 3.85Å; I274-F280 HydrophobicContact CG1-CZ 3.55Å; F278-F280 VanDerWaalsContact O-CD1 3.27Å; F278-F280 WeakPolarHBondContact O-CD1 3.01Å; F278-F280 PolarHBondContact O-N 3.22Å; F280-I282 HydrophobicContact CD2-CD1 4.21Å; F280-I282 HydrophobicContact CE2-CD1 3.85Å; F280-I282 HydrophobicContact CE2-CG1 4.23Å; F280-A315 HydrophobicContact CD2-CB 4.12Å; F280-A315 HydrophobicContact CE2-CB 3.61Å; F280-A315 HydrophobicContact CZ-CB 4.1Å; F280-A315 WeakPolarHBondContact O-CA 3.39Å; F280-N318 WeakPolarHBondContact O-CB 3.34Å; F280-N318 PolarHBondContact O-ND2 3.5Å
281	S	98.7	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	164.3	169.6	64.2	0	0	0	0	111.5	H246 F247 V249 N283	H246-S281 PolarHBondContact CE1-N 3.3Å; H246-S281 WeakPolarHBondContact NE2-CB 3.28Å; H246-S281 PolarHBondContact NE2-N 3.36Å; H246-S281 PolarHBondContact NE2-OG 3.02Å; H246-S281 VanDerWaalsContact NE2-OG 3.14Å; F247-S281 PolarHBondContact O-N 2.91Å; V249-S281 WeakPolarHBondContact CA-O 3.4Å; V249-S281 VanDerWaalsContact CB-O 3.27Å; V249-S281 WeakPolarHBondContact CB-O 3.48Å; V249-S281 PolarHBondContact N-O 3.07Å; S281-N283 PolarHBondContact O-ND2 2.65Å; S281-N283 PolarHBondContact OG-ND2 2.73Å; S281-N283 PolarHBondContact OG-OD1 3.17Å
282	I	98.6	Very high	97.8	Very high	21 Å²	21	34.5 Å²	34.5	11%	0.108	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.5	172.2	-60.5	-63.2	0	0	0	108.8	V249 P251 V270 F280 E297 L312 A315	V249-I282 HydrophobicContact CB-CD1 4.25Å; V249-I282 HydrophobicContact CG1-CD1 3.99Å; V249-I282 CarbonylContact O-C 3.56Å; V249-I282 WeakPolarHBondContact O-CA 3.37Å; P251-I282 HydrophobicContact CG-CD1 3.93Å; P251-I282 HydrophobicContact CG-CG2 3.92Å; V270-I282 HydrophobicContact CG2-CD1 4.2Å; F280-I282 HydrophobicContact CD2-CD1 4.21Å; F280-I282 HydrophobicContact CE2-CD1 3.85Å; F280-I282 HydrophobicContact CE2-CG1 4.23Å; I282-E297 HydrophobicContact CG2-CB 4.44Å; I282-L312 HydrophobicContact CG1-CD2 3.93Å; I282-A315 HydrophobicContact CG1-CB 4.06Å
283	N	98.9	Very high	97.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.			trans	-139.9	168.9	-169.2	-44.7	-86.1	0	0	0	110.8	D11 L12 H13 E248 V249 C250 S281	D11-N283 WeakPolarHBondContact OD1-CB 3.43Å; D11-N283 PolarHBondContact OD1-OD1 3.49Å; L12-N283 PolarHBondContact N-OD1 2.84Å; H13-N283 HydrophobicContact CB-CB 3.63Å; H13-N283 PolarHBondContact N-OD1 3.36Å; H13-N283 WeakPolarHBondContact O-CB 3.11Å; E248-N283 WeakPolarHBondContact CA-ND2 3.26Å; V249-N283 PolarHBondContact N-ND2 3.25Å; V249-N283 PolarHBondContact O-N 2.98Å; V249-N283 PolarHBondContact O-ND2 2.58Å; C250-N283 WeakPolarHBondContact CA-O 3.48Å; S281-N283 PolarHBondContact O-ND2 2.65Å; S281-N283 PolarHBondContact OG-ND2 2.73Å; S281-N283 PolarHBondContact OG-OD1 3.17Å
284	T	98.4	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.			trans	-95.9	-27	-174.1	56	0	0	0	0	115.5	D11 V14 D286 N294 E297	D11-T284 PolarHBondContact OD2-N 2.79Å; D11-T284 PolarHBondContact OD2-OG1 3.29Å; V14-T284 WeakPolarHBondContact CG2-OG1 3.41Å; T284-D286 PolarHBondContact O-N 3.16Å; T284-N294 HydrophobicContact CG2-CB 4.41Å; T284-N294 WeakPolarHBondContact CG2-OD1 3.36Å; T284-E297 HydrophobicContact CG2-CG 4Å
285	D	98.4	Very high	97.7	Very high	3 Å²	3	34 Å²	34	2%	0.016	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	62.5	-89.3	-168.7	-159.6	19.4	0	0	0	112.4	H13 V14 H15 H226 C250 S253 P287	H13-D285 IonicContact CD2-OD1 2.85Å; H13-D285 PolarHBondContact CD2-OD1 2.89Å; H13-D285 IonicContact NE2-OD1 2.63Å; H13-D285 PolarHBondContact NE2-OD1 2.94Å; H13-D285 WeakPolarHBondContact O-CA 3.14Å; H13-D285 PolarHBondContact O-N 3.13Å; V14-D285 CarbonylContact C-O 3.58Å; V14-D285 VanDerWaalsContact CA-O 3.3Å; V14-D285 WeakPolarHBondContact CA-O 3.01Å; H15-D285 IonicContact CD2-OD1 3.21Å; H15-D285 PolarHBondContact CD2-OD1 3.04Å; H15-D285 PolarHBondContact N-O 3.26Å; H15-D285 IonicContact NE2-OD1 2.73Å; H15-D285 PolarHBondContact NE2-OD1 2.88Å; H226-D285 IonicContact CE1-OD2 2.82Å; H226-D285 PolarHBondContact CE1-OD2 2.81Å; H226-D285 VanDerWaalsContact CE1-OD2 3.25Å; H226-D285 IonicContact NE2-OD2 3.9Å; C250-D285 HydrophobicContact CB-CB 3.82Å; S253-D285 VanDerWaalsContact CB-OD2 3.28Å; S253-D285 WeakPolarHBondContact CB-OD2 3.42Å; S253-D285 PolarHBondContact OG-OD2 2.67Å; D285-P287 WeakPolarHBondContact O-CD 3.47Å
286	D	98.3	Very high	97.7	Very high	3 Å²	3	34 Å²	34	2%	0.016	16%	0.16	C	C	.	.			trans	-125.1	81.9	-178.4	-60	-88.4	0	0	0	110.8	H15 G18 F59 F63 T284 T288 L289 T290	H15-D286 WeakPolarHBondContact CB-OD1 3.3Å; H15-D286 IonicContact CD2-OD1 2.73Å; H15-D286 IonicContact CD2-OD2 3.73Å; H15-D286 IonicContact CG-OD1 3.57Å; G18-D286 WeakPolarHBondContact CA-OD1 3.44Å; G18-D286 CarbonylContact O-C 3.31Å; G18-D286 WeakPolarHBondContact O-CA 3.45Å; F59-D286 HydrophobicContact CE1-CB 4.21Å; F59-D286 WeakPolarHBondContact CE1-OD2 3.19Å; F59-D286 HydrophobicContact CZ-CB 3.7Å; F59-D286 WeakPolarHBondContact CZ-OD2 3.22Å; F63-D286 VanDerWaalsContact CZ-OD1 3.26Å; F63-D286 WeakPolarHBondContact CZ-OD1 3.38Å; T284-D286 PolarHBondContact O-N 3.16Å; D286-T288 PolarHBondContact O-N 3Å; D286-L289 HydrophobicContact CB-CB 3.98Å; D286-L289 HydrophobicContact CB-CD1 4.25Å; D286-L289 HydrophobicContact CB-CD2 4.08Å; D286-L289 HydrophobicContact CB-CG 4.32Å; D286-L289 PolarHBondContact O-N 3.07Å; D286-T290 PolarHBondContact O-N 3.18Å; D286-T290 PolarHBondContact O-OG1 3.3Å
287	P	97.8	Very high	97.7	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.013	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-15.5	-174.3	24.6	-34.2	0	0	0	113.9	V14 G18 A19 D285 T290 E291 R292 W293	V14-P287 HydrophobicContact CG2-CG 4.18Å; G18-P287 WeakPolarHBondContact O-CD 3.24Å; A19-P287 HydrophobicContact CB-CG 3.65Å; D285-P287 WeakPolarHBondContact O-CD 3.47Å; P287-T290 WeakPolarHBondContact CA-OG1 3.49Å; P287-E291 VanDerWaalsContact O-CA 3.24Å; P287-E291 WeakPolarHBondContact O-CA 3.46Å; P287-E291 PolarHBondContact O-N 2.85Å; P287-E291 VanDerWaalsContact O-N 3.14Å; P287-R292 WeakPolarHBondContact CA-O 3.29Å; P287-R292 WeakPolarHBondContact CB-O 3.29Å; P287-R292 PolarHBondContact O-N 2.82Å; P287-W293 HydrophobicContact CB-CD2 3.86Å; P287-W293 HydrophobicContact CB-CE3 4.48Å; P287-W293 HydrophobicContact CB-CG 3.97Å; P287-W293 HydrophobicContact CB-CZ2 4.27Å; P287-W293 HydrophobicContact CG-CD2 4.04Å; P287-W293 HydrophobicContact CG-CE3 4.29Å; P287-W293 HydrophobicContact CG-CH2 4.09Å; P287-W293 HydrophobicContact CG-CZ2 3.79Å; P287-W293 HydrophobicContact CG-CZ3 4.3Å
288	T	97.3	Very high	97.6	Very high	14 Å²	14	23.4 Å²	23.4	9%	0.086	12%	0.115	C	C	.	.	H	α-helix	trans	-72.6	-39.4	170.9	-51.5	0	0	0	0	112	G18 A19 I20 P22 L48 D286	G18-T288 WeakPolarHBondContact O-CB 3.42Å; G18-T288 PolarHBondContact O-N 2.53Å; G18-T288 PolarHBondContact O-OG1 3.02Å; A19-T288 VanDerWaalsContact CA-OG1 3.24Å; A19-T288 WeakPolarHBondContact CA-OG1 3.43Å; A19-T288 PolarHBondContact N-OG1 3.37Å; I20-T288 PolarHBondContact N-OG1 3.22Å; I20-T288 WeakPolarHBondContact O-CG2 3.37Å; I20-T288 PolarHBondContact O-OG1 3.2Å; P22-T288 HydrophobicContact CG-CG2 4.04Å; L48-T288 HydrophobicContact CD1-CG2 3.86Å; D286-T288 PolarHBondContact O-N 3Å
289	L	96.9	Very high	97.6	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-86.2	-32.4	-175.8	-79	56.9	0	0	0	111.4	F59 A62 F63 I66 D286	F59-L289 HydrophobicContact CD1-CD2 3.83Å; F59-L289 HydrophobicContact CD2-CD2 4.16Å; F59-L289 HydrophobicContact CE1-CD2 3.58Å; F59-L289 HydrophobicContact CE2-CB 3.99Å; F59-L289 HydrophobicContact CE2-CD2 3.91Å; F59-L289 HydrophobicContact CG-CD2 4.12Å; F59-L289 HydrophobicContact CZ-CB 4.16Å; F59-L289 HydrophobicContact CZ-CD2 3.63Å; A62-L289 HydrophobicContact CB-CD1 4.11Å; A62-L289 HydrophobicContact CB-CD2 3.8Å; A62-L289 HydrophobicContact CB-CG 3.95Å; F63-L289 HydrophobicContact CE2-CD2 4.4Å; I66-L289 HydrophobicContact CD1-CD1 4.12Å; D286-L289 HydrophobicContact CB-CB 3.98Å; D286-L289 HydrophobicContact CB-CD1 4.25Å; D286-L289 HydrophobicContact CB-CD2 4.08Å; D286-L289 HydrophobicContact CB-CG 4.32Å; D286-L289 PolarHBondContact O-N 3.07Å
290	T	95.3	Very high	97.4	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.025	13%	0.127	C	C	.	.	H	α-helix	trans	-92.1	-10.2	179.6	65.7	0	0	0	0	113.5	F59 D286 P287 R292	F59-T290 HydrophobicContact CE2-CG2 4.35Å; D286-T290 PolarHBondContact O-N 3.18Å; D286-T290 PolarHBondContact O-OG1 3.3Å; P287-T290 WeakPolarHBondContact CA-OG1 3.49Å; T290-R292 PolarHBondContact O-N 3.11Å; T290-R292 PolarHBondContact O-NH1 2.89Å; T290-R292 VanDerWaalsContact O-NH1 3.13Å; T290-R292 PolarHBondContact OG1-N 3.14Å
291	E	94.5	Very high	97.3	Very high	106 Å²	106	26.3 Å²	26.3	50%	0.495	13%	0.125	S	C	.	.			trans	55.9	22.2	-172.7	-58.9	-173.3	113.9	0	0	114.3	M49 P287	M49-E291 VanDerWaalsContact CE-OE2 3.31Å; M49-E291 WeakPolarHBondContact CE-OE2 3.17Å; P287-E291 VanDerWaalsContact O-CA 3.24Å; P287-E291 WeakPolarHBondContact O-CA 3.46Å; P287-E291 PolarHBondContact O-N 2.85Å; P287-E291 VanDerWaalsContact O-N 3.14Å
292	R	96.7	Very high	97.2	Very high	83 Å²	83	28.6 Å²	28.6	31%	0.313	14%	0.137	S	C	.	.			trans	-131.1	120.7	-175.6	-71.1	178.2	178.9	84	-9.5	112	S252 P287 T290 Q296 E297	S252-R292 WeakPolarHBondContact OG-CD 3.49Å; S252-R292 PolarHBondContact OG-NE 3.5Å; P287-R292 WeakPolarHBondContact CA-O 3.29Å; P287-R292 WeakPolarHBondContact CB-O 3.29Å; P287-R292 PolarHBondContact O-N 2.82Å; T290-R292 PolarHBondContact O-N 3.11Å; T290-R292 PolarHBondContact O-NH1 2.89Å; T290-R292 VanDerWaalsContact O-NH1 3.13Å; T290-R292 PolarHBondContact OG1-N 3.14Å; R292-Q296 HydrophobicContact CB-CB 3.91Å; R292-Q296 HydrophobicContact CG-CB 3.83Å; R292-E297 HydrophobicContact CB-CG 4.2Å; R292-E297 VanDerWaalsContact CB-OE1 3.25Å; R292-E297 WeakPolarHBondContact CB-OE1 3.4Å; R292-E297 VanDerWaalsContact CD-OE1 3.23Å; R292-E297 WeakPolarHBondContact CD-OE1 3.32Å
293	W	98.1	Very high	97	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.015	16%	0.158	C	C	.	.			trans	-90.6	175.6	162.6	-72.2	76.1	0	0	0	109.9	A19 F84 D87 C88 R91 P287 L295 Q296 E297	A19-W293 HydrophobicContact CB-CH2 3.94Å; A19-W293 HydrophobicContact CB-CZ2 4.11Å; F84-W293 AromaticContact CD2-CH2 3.72Å; F84-W293 HydrophobicContact CD2-CH2 3.72Å; F84-W293 HydrophobicContact CD2-CZ3 4.35Å; F84-W293 AromaticContact CE2-CH2 3.98Å; F84-W293 HydrophobicContact CE2-CH2 3.98Å; F84-W293 HydrophobicContact CE2-CZ3 4.19Å; D87-W293 HydrophobicContact CB-CD2 4.26Å; D87-W293 HydrophobicContact CB-CE3 4.47Å; D87-W293 HydrophobicContact CB-CH2 3.63Å; D87-W293 HydrophobicContact CB-CZ2 3.4Å; D87-W293 VanDerWaalsContact CB-CZ2 3.4Å; D87-W293 HydrophobicContact CB-CZ3 4.19Å; C88-W293 HydrophobicContact CB-CZ3 4.47Å; R91-W293 HydrophobicContact CB-CB 3.69Å; R91-W293 HydrophobicContact CB-CD2 4.19Å; R91-W293 HydrophobicContact CB-CG 3.63Å; R91-W293 VanDerWaalsContact NH2-CD1 3.27Å; P287-W293 HydrophobicContact CB-CD2 3.86Å; P287-W293 HydrophobicContact CB-CE3 4.48Å; P287-W293 HydrophobicContact CB-CG 3.97Å; P287-W293 HydrophobicContact CB-CZ2 4.27Å; P287-W293 HydrophobicContact CG-CD2 4.04Å; P287-W293 HydrophobicContact CG-CE3 4.29Å; P287-W293 HydrophobicContact CG-CH2 4.09Å; P287-W293 HydrophobicContact CG-CZ2 3.79Å; P287-W293 HydrophobicContact CG-CZ3 4.3Å; W293-L295 VanDerWaalsContact C-N 3.27Å; W293-L295 PolarHBondContact O-N 2.67Å; W293-L295 VanDerWaalsContact O-N 3.11Å; W293-Q296 CarbonylContact O-C 3.47Å; W293-Q296 WeakPolarHBondContact O-CA 3.33Å; W293-Q296 WeakPolarHBondContact O-CB 3.36Å; W293-Q296 PolarHBondContact O-N 2.73Å; W293-Q296 PolarHBondContact O-OE1 3.13Å; W293-E297 PolarHBondContact O-N 2.88Å
294	N	97.9	Very high	96.7	Very high	17 Å²	17	38.5 Å²	38.5	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-58.4	-31.8	-169.1	-53.2	76.3	0	0	0	114.8	D11 G92 L94 T284 E297 A298	D11-N294 WeakPolarHBondContact CB-ND2 3.4Å; D11-N294 PolarHBondContact OD2-ND2 3.02Å; G92-N294 WeakPolarHBondContact O-CB 3.41Å; L94-N294 WeakPolarHBondContact CD1-OD1 3.31Å; L94-N294 HydrophobicContact CD2-CB 4.03Å; T284-N294 HydrophobicContact CG2-CB 4.41Å; T284-N294 WeakPolarHBondContact CG2-OD1 3.36Å; N294-E297 PolarHBondContact O-N 3.05Å; N294-A298 VanDerWaalsContact O-CB 3.3Å; N294-A298 WeakPolarHBondContact O-CB 3.17Å; N294-A298 PolarHBondContact O-N 2.78Å
295	L	97.1	Very high	96.6	Very high	85 Å²	85	38.6 Å²	38.6	45%	0.445	18%	0.184	S	C	.	.	H	α-helix	trans	-68.3	-37.6	174.5	-64.2	177.9	0	0	0	111.3	R91 W293 K299	R91-L295 VanDerWaalsContact O-CB 3.24Å; R91-L295 WeakPolarHBondContact O-CB 3.38Å; R91-L295 WeakPolarHBondContact O-CD1 3.38Å; R91-L295 WeakPolarHBondContact O-CG 3.48Å; R91-L295 PolarHBondContact O-N 3Å; W293-L295 VanDerWaalsContact C-N 3.27Å; W293-L295 PolarHBondContact O-N 2.67Å; W293-L295 VanDerWaalsContact O-N 3.11Å; L295-K299 WeakPolarHBondContact O-CB 3.49Å; L295-K299 PolarHBondContact O-N 2.93Å
296	Q	97.8	Very high	96.4	Very high	71 Å²	71	41.2 Å²	41.2	33%	0.332	21%	0.211	S	C	.	.	H	α-helix	trans	-72	-37.7	173.6	-65	79.8	7.3	0	0	112	R91 R292 W293 K299 Y300	R91-Q296 PolarHBondContact O-OE1 2.94Å; R292-Q296 HydrophobicContact CB-CB 3.91Å; R292-Q296 HydrophobicContact CG-CB 3.83Å; W293-Q296 CarbonylContact O-C 3.47Å; W293-Q296 WeakPolarHBondContact O-CA 3.33Å; W293-Q296 WeakPolarHBondContact O-CB 3.36Å; W293-Q296 PolarHBondContact O-N 2.73Å; W293-Q296 PolarHBondContact O-OE1 3.13Å; Q296-K299 PolarHBondContact O-N 3.41Å; Q296-Y300 VanDerWaalsContact O-CB 3.27Å; Q296-Y300 WeakPolarHBondContact O-CB 3.33Å; Q296-Y300 PolarHBondContact O-N 3.08Å
297	E	97.3	Very high	96.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-44.3	171.8	-77.9	-58.9	134.9	0	0	111.4	P251 S252 I282 T284 R292 W293 N294 K299 Y300 C301	P251-E297 WeakPolarHBondContact CD-OE2 3.48Å; S252-E297 WeakPolarHBondContact CB-OE1 3.31Å; S252-E297 PolarHBondContact N-OE2 3.22Å; S252-E297 VanDerWaalsContact OG-CD 3.27Å; S252-E297 PolarHBondContact OG-OE1 3.21Å; S252-E297 PolarHBondContact OG-OE2 3.14Å; I282-E297 HydrophobicContact CG2-CB 4.44Å; T284-E297 HydrophobicContact CG2-CG 4Å; R292-E297 HydrophobicContact CB-CG 4.2Å; R292-E297 VanDerWaalsContact CB-OE1 3.25Å; R292-E297 WeakPolarHBondContact CB-OE1 3.4Å; R292-E297 VanDerWaalsContact CD-OE1 3.23Å; R292-E297 WeakPolarHBondContact CD-OE1 3.32Å; W293-E297 PolarHBondContact O-N 2.88Å; N294-E297 PolarHBondContact O-N 3.05Å; E297-K299 VanDerWaalsContact C-N 3.34Å; E297-K299 PolarHBondContact O-N 2.98Å; E297-Y300 PolarHBondContact O-N 3.28Å; E297-C301 WeakPolarHBondContact O-CB 3.36Å; E297-C301 PolarHBondContact O-N 3.36Å; E297-C301 PolarHBondContact O-SG 3.1Å
298	A	96.9	Very high	96.2	Very high	21 Å²	21	42.8 Å²	42.8	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-42.7	176.6	0	0	0	0	0	111.6	N294 C301 I302 L312	N294-A298 VanDerWaalsContact O-CB 3.3Å; N294-A298 WeakPolarHBondContact O-CB 3.17Å; N294-A298 PolarHBondContact O-N 2.78Å; A298-C301 PolarHBondContact O-N 3Å; A298-I302 WeakPolarHBondContact O-CG1 3.28Å; A298-I302 PolarHBondContact O-N 3.36Å; A298-I302 VanDerWaalsContact O-N 3.1Å; A298-L312 HydrophobicContact CB-CD1 4.17Å
299	K	96.4	Very high	96	Very high	81 Å²	81	44.3 Å²	44.3	35%	0.352	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-49.6	173.4	-176.9	177	-176.8	175.5	0	111.3	L295 Q296 E297 C301 I302 E303 I348	L295-K299 WeakPolarHBondContact O-CB 3.49Å; L295-K299 PolarHBondContact O-N 2.93Å; Q296-K299 PolarHBondContact O-N 3.41Å; E297-K299 VanDerWaalsContact C-N 3.34Å; E297-K299 PolarHBondContact O-N 2.98Å; K299-C301 VanDerWaalsContact C-N 3.33Å; K299-C301 PolarHBondContact O-N 3.07Å; K299-I302 PolarHBondContact O-N 3.15Å; K299-I302 VanDerWaalsContact O-N 3.16Å; K299-E303 WeakPolarHBondContact CE-OE1 3.38Å; K299-E303 WeakPolarHBondContact CE-OE2 3.4Å; K299-E303 HydrophobicContact CG-CG 4.23Å; K299-E303 WeakPolarHBondContact CG-OE2 3.44Å; K299-E303 IonicContact NZ-OE2 3.56Å; K299-E303 WeakPolarHBondContact O-CB 3.48Å; K299-E303 WeakPolarHBondContact O-CG 3.26Å; K299-E303 PolarHBondContact O-N 3.3Å; K299-I348 HydrophobicContact CB-CD1 3.7Å; K299-I348 HydrophobicContact CD-CD1 4.39Å; K299-I348 HydrophobicContact CD-CG2 4.28Å; K299-I348 HydrophobicContact CG-CD1 3.89Å
300	Y	95.3	Very high	95.9	Very high	33 Å²	33	49.4 Å²	49.4	13%	0.129	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-44.9	178.2	176.6	-112.3	0	0	0	111.9	P251 S252 F255 Q296 E297 I302 E304 L305	P251-Y300 HydrophobicContact CB-CD1 4.31Å; P251-Y300 HydrophobicContact CB-CE1 4.22Å; S252-Y300 WeakPolarHBondContact OG-CD1 3.43Å; F255-Y300 HydrophobicContact CD2-CE1 4.3Å; F255-Y300 VanDerWaalsContact CD2-OH 3.23Å; F255-Y300 WeakPolarHBondContact CD2-OH 3.34Å; F255-Y300 AromaticContact CE2-CE1 3.98Å; F255-Y300 HydrophobicContact CE2-CE1 3.98Å; F255-Y300 AromaticContact CE2-CZ 3.86Å; F255-Y300 WeakPolarHBondContact CE2-OH 3.38Å; Q296-Y300 VanDerWaalsContact O-CB 3.27Å; Q296-Y300 WeakPolarHBondContact O-CB 3.33Å; Q296-Y300 PolarHBondContact O-N 3.08Å; E297-Y300 PolarHBondContact O-N 3.28Å; Y300-I302 VanDerWaalsContact C-N 3.32Å; Y300-I302 PolarHBondContact O-N 2.9Å; Y300-E304 HydrophobicContact CD2-CB 3.62Å; Y300-E304 HydrophobicContact CD2-CG 3.56Å; Y300-E304 HydrophobicContact CE2-CB 3.44Å; Y300-E304 VanDerWaalsContact CE2-CB 3.44Å; Y300-E304 HydrophobicContact CE2-CG 3.68Å; Y300-E304 WeakPolarHBondContact O-CB 3.42Å; Y300-E304 PolarHBondContact O-N 3.21Å; Y300-L305 HydrophobicContact CD1-CD1 4.43Å; Y300-L305 HydrophobicContact CD1-CG 4.49Å; Y300-L305 HydrophobicContact CE1-CD1 4.03Å; Y300-L305 HydrophobicContact CE1-CD2 4.33Å; Y300-L305 HydrophobicContact CE1-CG 4.02Å; Y300-L305 PolarHBondContact O-N 3.16Å
301	C	96.6	Very high	95.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-41.5	175.7	-74.8	0	0	0	0	112.7	E297 A298 K299 L305 G306 I307 L312	E297-C301 WeakPolarHBondContact O-CB 3.36Å; E297-C301 PolarHBondContact O-N 3.36Å; E297-C301 PolarHBondContact O-SG 3.1Å; A298-C301 PolarHBondContact O-N 3Å; K299-C301 VanDerWaalsContact C-N 3.33Å; K299-C301 PolarHBondContact O-N 3.07Å; C301-L305 CarbonylContact O-C 3.59Å; C301-L305 WeakPolarHBondContact O-CB 3.42Å; C301-G306 PolarHBondContact O-N 2.99Å; C301-I307 HydrophobicContact CB-CB 4.24Å; C301-I307 HydrophobicContact CB-CD1 3.87Å; C301-I307 HydrophobicContact CB-CG1 4.46Å; C301-I307 WeakPolarHBondContact O-CB 3.15Å; C301-I307 PolarHBondContact O-N 3.08Å; C301-L312 HydrophobicContact CB-CD1 4.2Å; C301-L312 HydrophobicContact CB-CD2 3.85Å
302	I	95.7	Very high	95.9	Very high	48 Å²	48	47.8 Å²	47.8	25%	0.246	25%	0.254	C	S	.	.	H	α-helix	trans	-73.6	-51.5	-179.7	-67.7	163.4	0	0	0	111	A298 K299 Y300 G306 I307 P309 L312 I346	A298-I302 WeakPolarHBondContact O-CG1 3.28Å; A298-I302 PolarHBondContact O-N 3.36Å; A298-I302 VanDerWaalsContact O-N 3.1Å; K299-I302 PolarHBondContact O-N 3.15Å; K299-I302 VanDerWaalsContact O-N 3.16Å; Y300-I302 VanDerWaalsContact C-N 3.32Å; Y300-I302 PolarHBondContact O-N 2.9Å; I302-G306 WeakPolarHBondContact O-CA 3.32Å; I302-G306 PolarHBondContact O-N 2.95Å; I302-I307 WeakPolarHBondContact CA-O 3.28Å; I302-I307 WeakPolarHBondContact CG1-O 3.44Å; I302-P309 HydrophobicContact CD1-CG 4.33Å; I302-L312 HydrophobicContact CD1-CD1 3.85Å; I302-L312 HydrophobicContact CG1-CD1 3.65Å; I302-I346 HydrophobicContact CD1-CB 4.43Å; I302-I346 HydrophobicContact CD1-CD1 3.78Å; I302-I346 HydrophobicContact CD1-CG2 4.32Å
303	E	95.1	Very high	95.8	Very high	116 Å²	116	45.8 Å²	45.8	54%	0.542	25%	0.25	S	C	.	.	H	α-helix	trans	-80.4	-39.3	-167.8	-66.3	-179.1	175.4	0	0	112.5	K299	K299-E303 WeakPolarHBondContact CE-OE1 3.38Å; K299-E303 WeakPolarHBondContact CE-OE2 3.4Å; K299-E303 HydrophobicContact CG-CG 4.23Å; K299-E303 WeakPolarHBondContact CG-OE2 3.44Å; K299-E303 IonicContact NZ-OE2 3.56Å; K299-E303 WeakPolarHBondContact O-CB 3.48Å; K299-E303 WeakPolarHBondContact O-CG 3.26Å; K299-E303 PolarHBondContact O-N 3.3Å
304	E	93.5	Very high	95.7	Very high	114 Å²	114	50.9 Å²	50.9	53%	0.533	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-36.8	-171.9	-57.2	-62.9	156.9	0	0	112.5	P265 Y300	P265-E304 VanDerWaalsContact CB-O 3.27Å; P265-E304 WeakPolarHBondContact CB-O 3.45Å; Y300-E304 HydrophobicContact CD2-CB 3.62Å; Y300-E304 HydrophobicContact CD2-CG 3.56Å; Y300-E304 HydrophobicContact CE2-CB 3.44Å; Y300-E304 VanDerWaalsContact CE2-CB 3.44Å; Y300-E304 HydrophobicContact CE2-CG 3.68Å; Y300-E304 WeakPolarHBondContact O-CB 3.42Å; Y300-E304 PolarHBondContact O-N 3.21Å
305	L	95.2	Very high	95.7	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.271	C	S	.	.	S	Bend	trans	-89.6	-15.2	175.5	-58.4	-177.2	0	0	0	113	P251 F255 P265 H268 V270 H271 Y300 C301 I307	P251-L305 HydrophobicContact CB-CD1 3.8Å; F255-L305 HydrophobicContact CE2-CD2 3.98Å; F255-L305 HydrophobicContact CZ-CD2 3.94Å; P265-L305 HydrophobicContact CB-CD2 3.95Å; H268-L305 HydrophobicContact CB-CD2 4.25Å; V270-L305 HydrophobicContact CG1-CD1 4.45Å; H271-L305 PolarHBondContact CE1-O 3.44Å; H271-L305 PolarHBondContact NE2-O 3.19Å; H271-L305 VanDerWaalsContact NE2-O 3.14Å; Y300-L305 HydrophobicContact CD1-CD1 4.43Å; Y300-L305 HydrophobicContact CD1-CG 4.49Å; Y300-L305 HydrophobicContact CE1-CD1 4.03Å; Y300-L305 HydrophobicContact CE1-CD2 4.33Å; Y300-L305 HydrophobicContact CE1-CG 4.02Å; Y300-L305 PolarHBondContact O-N 3.16Å; C301-L305 CarbonylContact O-C 3.59Å; C301-L305 WeakPolarHBondContact O-CB 3.42Å; L305-I307 VanDerWaalsContact C-N 3.33Å; L305-I307 HydrophobicContact CB-CD1 4.11Å; L305-I307 HydrophobicContact CB-CG1 4.05Å; L305-I307 HydrophobicContact CD1-CD1 4.14Å; L305-I307 PolarHBondContact O-N 2.78Å
306	G	94.8	Very high	95.7	Very high	57 Å²	57	47.2 Å²	47.2	59%	0.588	26%	0.256	S	S	*	.			trans	71.7	22.6	-179.5	0	0	0	0	0	114.7	C301 I302	C301-G306 PolarHBondContact O-N 2.99Å; I302-G306 WeakPolarHBondContact O-CA 3.32Å; I302-G306 PolarHBondContact O-N 2.95Å
307	I	95.7	Very high	95.7	Very high	4 Å²	4	47 Å²	47	2%	0.021	25%	0.253	C	S	.	.			trans	-75.7	125.4	177	-60	172.3	0	0	0	109.3	V270 I274 C301 I302 L305 Q311 L312	V270-I307 HydrophobicContact CB-CD1 4.47Å; V270-I307 HydrophobicContact CG1-CD1 3.8Å; V270-I307 HydrophobicContact CG1-CG1 4.46Å; V270-I307 HydrophobicContact CG2-CD1 3.84Å; I274-I307 HydrophobicContact CD1-CD1 4.29Å; I274-I307 HydrophobicContact CD1-CG1 3.98Å; I274-I307 HydrophobicContact CD1-CG2 3.89Å; C301-I307 HydrophobicContact CB-CB 4.24Å; C301-I307 HydrophobicContact CB-CD1 3.87Å; C301-I307 HydrophobicContact CB-CG1 4.46Å; C301-I307 WeakPolarHBondContact O-CB 3.15Å; C301-I307 PolarHBondContact O-N 3.08Å; I302-I307 WeakPolarHBondContact CA-O 3.28Å; I302-I307 WeakPolarHBondContact CG1-O 3.44Å; L305-I307 VanDerWaalsContact C-N 3.33Å; L305-I307 HydrophobicContact CB-CD1 4.11Å; L305-I307 HydrophobicContact CB-CG1 4.05Å; L305-I307 HydrophobicContact CD1-CD1 4.14Å; L305-I307 PolarHBondContact O-N 2.78Å; I307-Q311 HydrophobicContact CG2-CB 3.79Å; I307-L312 HydrophobicContact CG2-CD2 3.91Å; I307-L312 HydrophobicContact CG2-CG 3.86Å
308	A	95	Very high	95.7	Very high	35 Å²	35	48.2 Å²	48.2	29%	0.289	26%	0.259	S	S	.	.			trans	-70.1	146.7	-179.1	0	0	0	0	0	111.8	N310 Q311 L312	A308-N310 WeakPolarHBondContact CB-OD1 3.04Å; A308-N310 PolarHBondContact O-N 3.28Å; A308-N310 VanDerWaalsContact O-N 3.09Å; A308-Q311 HydrophobicContact CB-CG 4.31Å; A308-Q311 WeakPolarHBondContact O-CA 3.48Å; A308-Q311 WeakPolarHBondContact O-CB 3.22Å; A308-Q311 PolarHBondContact O-N 3.12Å; A308-L312 PolarHBondContact O-N 2.88Å; A308-L312 VanDerWaalsContact O-N 3.16Å
309	P	94	Very high	95.8	Very high	46 Å²	46	47.2 Å²	47.2	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-55.6	-32.4	-178.8	-29.5	35.6	0	0	0	115	I302 L312 N313 I346	I302-P309 HydrophobicContact CD1-CG 4.33Å; P309-L312 PolarHBondContact O-N 2.95Å; P309-N313 PolarHBondContact O-N 3.01Å; P309-N313 PolarHBondContact O-ND2 3.14Å; P309-I346 HydrophobicContact CB-CD1 4.45Å
310	N	93.9	Very high	95.9	Very high	110 Å²	110	43.3 Å²	43.3	59%	0.588	23%	0.234	S	C	*	.	H	α-helix	trans	-69.8	-31.5	175.3	65	-34.8	0	0	0	113	A308 N313 M314	A308-N310 WeakPolarHBondContact CB-OD1 3.04Å; A308-N310 PolarHBondContact O-N 3.28Å; A308-N310 VanDerWaalsContact O-N 3.09Å; N310-N313 PolarHBondContact O-N 3.41Å; N310-M314 PolarHBondContact O-N 2.61Å
311	Q	95.6	Very high	96	Very high	61 Å²	61	45.7 Å²	45.7	29%	0.285	25%	0.247	S	C	.	.	H	α-helix	trans	-70.9	-40.9	174.6	-66.4	164.9	-25.5	0	0	110.4	I274 I307 A308 N313 M314 A315	I274-Q311 HydrophobicContact CD1-CB 4.35Å; I274-Q311 HydrophobicContact CG2-CG 4.07Å; I307-Q311 HydrophobicContact CG2-CB 3.79Å; A308-Q311 HydrophobicContact CB-CG 4.31Å; A308-Q311 WeakPolarHBondContact O-CA 3.48Å; A308-Q311 WeakPolarHBondContact O-CB 3.22Å; A308-Q311 PolarHBondContact O-N 3.12Å; Q311-N313 VanDerWaalsContact C-N 3.35Å; Q311-N313 PolarHBondContact O-N 2.78Å; Q311-M314 WeakPolarHBondContact O-CB 3.03Å; Q311-M314 PolarHBondContact O-N 2.88Å; Q311-M314 VanDerWaalsContact O-N 3.13Å; Q311-A315 PolarHBondContact O-N 3.2Å
312	L	95.7	Very high	96.1	Very high	15 Å²	15	46.4 Å²	46.4	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-43.5	170.6	-72.3	-178.4	0	0	0	112.3	I282 A298 C301 I302 I307 A308 P309 M314 A315 N316 I346	I282-L312 HydrophobicContact CG1-CD2 3.93Å; A298-L312 HydrophobicContact CB-CD1 4.17Å; C301-L312 HydrophobicContact CB-CD1 4.2Å; C301-L312 HydrophobicContact CB-CD2 3.85Å; I302-L312 HydrophobicContact CD1-CD1 3.85Å; I302-L312 HydrophobicContact CG1-CD1 3.65Å; I307-L312 HydrophobicContact CG2-CD2 3.91Å; I307-L312 HydrophobicContact CG2-CG 3.86Å; A308-L312 PolarHBondContact O-N 2.88Å; A308-L312 VanDerWaalsContact O-N 3.16Å; P309-L312 PolarHBondContact O-N 2.95Å; L312-M314 VanDerWaalsContact C-N 3.25Å; L312-M314 PolarHBondContact O-N 3.3Å; L312-A315 PolarHBondContact O-N 2.87Å; L312-N316 PolarHBondContact O-N 3.24Å; L312-I346 HydrophobicContact CD1-CD1 4.1Å
313	N	94.6	Very high	96.3	Very high	41 Å²	41	44.2 Å²	44.2	22%	0.219	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-34	174.9	-76.5	-29.9	0	0	0	112.4	P309 N310 Q311 Y317	P309-N313 PolarHBondContact O-N 3.01Å; P309-N313 PolarHBondContact O-ND2 3.14Å; N310-N313 PolarHBondContact O-N 3.41Å; Q311-N313 VanDerWaalsContact C-N 3.35Å; Q311-N313 PolarHBondContact O-N 2.78Å; N313-Y317 PolarHBondContact O-N 3.27Å
314	M	95.8	Very high	96.4	Very high	110 Å²	110	39.1 Å²	39.1	54%	0.542	22%	0.218	S	C	.	.	H	α-helix	trans	-69.3	-43	174	-170.1	60.9	67.6	0	0	111.6	N310 Q311 L312 N316 Y317 N318	N310-M314 PolarHBondContact O-N 2.61Å; Q311-M314 WeakPolarHBondContact O-CB 3.03Å; Q311-M314 PolarHBondContact O-N 2.88Å; Q311-M314 VanDerWaalsContact O-N 3.13Å; L312-M314 VanDerWaalsContact C-N 3.25Å; L312-M314 PolarHBondContact O-N 3.3Å; M314-N316 VanDerWaalsContact C-N 3.29Å; M314-N316 PolarHBondContact O-N 2.76Å; M314-Y317 WeakPolarHBondContact O-CB 3.39Å; M314-Y317 PolarHBondContact O-N 2.78Å; M314-Y317 VanDerWaalsContact O-N 3.11Å; M314-Y317 HydrophobicContact SD-CD1 4.1Å; M314-N318 VanDerWaalsContact O-CG 3.29Å; M314-N318 PolarHBondContact O-N 2.77Å
315	A	98	Very high	96.7	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-39.2	174.5	0	0	0	0	0	111.8	F280 I282 Q311 L312 N318 A319	F280-A315 HydrophobicContact CD2-CB 4.12Å; F280-A315 HydrophobicContact CE2-CB 3.61Å; F280-A315 HydrophobicContact CZ-CB 4.1Å; F280-A315 WeakPolarHBondContact O-CA 3.39Å; I282-A315 HydrophobicContact CG1-CB 4.06Å; Q311-A315 PolarHBondContact O-N 3.2Å; L312-A315 PolarHBondContact O-N 2.87Å; A315-N318 WeakPolarHBondContact O-CB 3.09Å; A315-N318 PolarHBondContact O-N 3.42Å; A315-A319 PolarHBondContact O-N 3.09Å
316	N	97.6	Very high	96.7	Very high	23 Å²	23	38 Å²	38	12%	0.123	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-34.9	174.1	-164.8	66.6	0	0	0	112.5	Y8 I10 L312 M314 A319 A320	Y8-N316 PolarHBondContact O-ND2 3.06Å; I10-N316 PolarHBondContact N-OD1 3.49Å; L312-N316 PolarHBondContact O-N 3.24Å; M314-N316 VanDerWaalsContact C-N 3.29Å; M314-N316 PolarHBondContact O-N 2.76Å; N316-A319 WeakPolarHBondContact O-CB 2.72Å; N316-A319 PolarHBondContact O-N 3.16Å; N316-A320 PolarHBondContact O-N 2.9Å; N316-A320 VanDerWaalsContact O-N 3.12Å
317	Y	96.7	Very high	96.8	Very high	68 Å²	68	39.2 Å²	39.2	27%	0.267	22%	0.219	S	C	.	.	H	α-helix	trans	-66.4	-43	171.9	173.8	-95	0	0	0	112.1	N313 M314 A319 A320 M321 I334 I337	N313-Y317 PolarHBondContact O-N 3.27Å; M314-Y317 WeakPolarHBondContact O-CB 3.39Å; M314-Y317 PolarHBondContact O-N 2.78Å; M314-Y317 VanDerWaalsContact O-N 3.11Å; M314-Y317 HydrophobicContact SD-CD1 4.1Å; Y317-A319 VanDerWaalsContact C-N 3.28Å; Y317-A319 PolarHBondContact O-N 3.04Å; Y317-A320 WeakPolarHBondContact O-CB 3.32Å; Y317-A320 PolarHBondContact O-N 3.03Å; Y317-A320 VanDerWaalsContact O-N 3.15Å; Y317-M321 HydrophobicContact CD1-CG 4.25Å; Y317-M321 HydrophobicContact CE1-CG 3.75Å; Y317-M321 HydrophobicContact CE1-SD 4.37Å; Y317-M321 WeakPolarHBondContact O-CG 3.41Å; Y317-M321 PolarHBondContact O-N 3.01Å; Y317-I334 HydrophobicContact CD2-CG2 4.32Å; Y317-I334 HydrophobicContact CE2-CD1 4.31Å; Y317-I334 HydrophobicContact CE2-CG1 4.24Å; Y317-I334 HydrophobicContact CE2-CG2 3.75Å; Y317-I337 HydrophobicContact CD2-CD1 4.35Å
318	N	98.5	Very high	96.9	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.134	25%	0.25	C	C	.	.	H	α-helix	trans	-60.6	-39.4	174.2	-70.8	-12.3	0	0	0	111.3	N279 F280 M314 A315 A320 M321 A322	N279-N318 WeakPolarHBondContact OD1-CB 3.31Å; F280-N318 WeakPolarHBondContact O-CB 3.34Å; F280-N318 PolarHBondContact O-ND2 3.5Å; M314-N318 VanDerWaalsContact O-CG 3.29Å; M314-N318 PolarHBondContact O-N 2.77Å; A315-N318 WeakPolarHBondContact O-CB 3.09Å; A315-N318 PolarHBondContact O-N 3.42Å; N318-A320 PolarHBondContact O-N 3.18Å; N318-M321 WeakPolarHBondContact O-CB 3.45Å; N318-M321 PolarHBondContact O-N 3.24Å; N318-M321 VanDerWaalsContact O-N 3.16Å; N318-A322 WeakPolarHBondContact O-CB 3.31Å; N318-A322 PolarHBondContact O-N 3.12Å
319	A	98.7	Very high	97	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-45.2	172.7	0	0	0	0	0	111.7	I10 L12 A315 N316 Y317 M321 A322 A323	I10-A319 HydrophobicContact CB-CB 3.91Å; I10-A319 HydrophobicContact CG2-CB 3.57Å; L12-A319 HydrophobicContact CD1-CB 4.04Å; L12-A319 HydrophobicContact CG-CB 4.2Å; A315-A319 PolarHBondContact O-N 3.09Å; N316-A319 WeakPolarHBondContact O-CB 2.72Å; N316-A319 PolarHBondContact O-N 3.16Å; Y317-A319 VanDerWaalsContact C-N 3.28Å; Y317-A319 PolarHBondContact O-N 3.04Å; A319-M321 VanDerWaalsContact C-N 3.28Å; A319-M321 PolarHBondContact O-N 3.35Å; A319-A322 CarbonylContact O-C 3.46Å; A319-A322 PolarHBondContact O-N 3.36Å; A319-A323 PolarHBondContact O-N 3.24Å
320	A	98.2	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-36.7	174.7	0	0	0	0	0	112.9	I10 N316 Y317 N318 L333 I334 I337	I10-A320 HydrophobicContact CD1-CB 3.51Å; N316-A320 PolarHBondContact O-N 2.9Å; N316-A320 VanDerWaalsContact O-N 3.12Å; Y317-A320 WeakPolarHBondContact O-CB 3.32Å; Y317-A320 PolarHBondContact O-N 3.03Å; Y317-A320 VanDerWaalsContact O-N 3.15Å; N318-A320 PolarHBondContact O-N 3.18Å; A320-L333 HydrophobicContact CB-CD2 4.08Å; A320-L333 HydrophobicContact CB-CG 4.04Å; A320-I334 HydrophobicContact CB-CG1 3.83Å; A320-I337 HydrophobicContact CB-CD1 3.69Å
321	M	98	Very high	97.3	Very high	82 Å²	82	46.2 Å²	46.2	40%	0.404	24%	0.243	S	C	.	.	H	α-helix	trans	-67.6	-41.2	176.7	-70.6	-66.3	-60	0	0	111.9	Y317 N318 A319 R330 I334	Y317-M321 HydrophobicContact CD1-CG 4.25Å; Y317-M321 HydrophobicContact CE1-CG 3.75Å; Y317-M321 HydrophobicContact CE1-SD 4.37Å; Y317-M321 WeakPolarHBondContact O-CG 3.41Å; Y317-M321 PolarHBondContact O-N 3.01Å; N318-M321 WeakPolarHBondContact O-CB 3.45Å; N318-M321 PolarHBondContact O-N 3.24Å; N318-M321 VanDerWaalsContact O-N 3.16Å; A319-M321 VanDerWaalsContact C-N 3.28Å; A319-M321 PolarHBondContact O-N 3.35Å; M321-R330 PolarHBondContact O-NE 2.92Å; M321-I334 HydrophobicContact CG-CD1 4.32Å; M321-I334 HydrophobicContact SD-CD1 3.35Å; M321-I334 WeakPolarHBondContact SD-CD1 3.4Å; M321-I334 HydrophobicContact SD-CG1 4.5Å
322	A	98.6	Very high	97.4	Very high	16 Å²	16	48.4 Å²	48.4	13%	0.132	25%	0.252	C	S	.	.	H	α-helix	trans	-87.2	-5.6	-177.1	0	0	0	0	0	114.6	L12 R223 H246 N318 A319 F324	L12-A322 HydrophobicContact CD1-CB 4.15Å; R223-A322 WeakPolarHBondContact CD-O 3.3Å; R223-A322 PolarHBondContact NH1-O 3.49Å; R223-A322 VanDerWaalsContact NH1-O 3.1Å; H246-A322 HydrophobicContact CB-CB 3.83Å; H246-A322 VanDerWaalsContact ND1-CB 3.34Å; H246-A322 WeakPolarHBondContact ND1-CB 3.26Å; N318-A322 WeakPolarHBondContact O-CB 3.31Å; N318-A322 PolarHBondContact O-N 3.12Å; A319-A322 CarbonylContact O-C 3.46Å; A319-A322 PolarHBondContact O-N 3.36Å; A322-F324 PolarHBondContact O-N 2.88Å
323	A	98.7	Very high	97.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	25%	0.248	C	C	.	.	S	Bend	trans	-57.8	137.7	174.7	0	0	0	0	0	111.1	L12 Y96 E98 A319 V325 R330 L333	L12-A323 HydrophobicContact CD2-CB 4.17Å; Y96-A323 HydrophobicContact CD1-CB 4.34Å; Y96-A323 HydrophobicContact CE1-CB 3.63Å; E98-A323 WeakPolarHBondContact OE1-CA 3.46Å; A319-A323 PolarHBondContact O-N 3.24Å; A323-V325 HydrophobicContact CB-CG1 4.22Å; A323-V325 HydrophobicContact CB-CG2 4.07Å; A323-V325 PolarHBondContact O-N 3.1Å; A323-R330 PolarHBondContact O-NH2 3.06Å; A323-L333 HydrophobicContact CB-CD2 4.23Å
324	F	98.6	Very high	97.5	Very high	10 Å²	10	46.7 Å²	46.7	4%	0.044	24%	0.243	C	C	.	.	S	Bend	trans	-78.5	67.6	177.5	-65.5	-39.7	0	0	0	110.6	E98 I138 V165 A166 H198 E222 R223 A322	E98-F324 PolarHBondContact OE1-N 3.1Å; E98-F324 VanDerWaalsContact OE2-CD2 3.3Å; E98-F324 WeakPolarHBondContact OE2-CD2 3.45Å; I138-F324 HydrophobicContact CD1-CD2 4.3Å; I138-F324 HydrophobicContact CD1-CE2 4.33Å; V165-F324 HydrophobicContact CB-CB 3.85Å; V165-F324 WeakPolarHBondContact CG1-O 3.36Å; V165-F324 HydrophobicContact CG2-CB 3.89Å; V165-F324 HydrophobicContact CG2-CD2 4.26Å; A166-F324 HydrophobicContact CB-CD2 3.55Å; A166-F324 HydrophobicContact CB-CE2 3.53Å; H198-F324 HydrophobicContact CB-CB 4.37Å; H198-F324 HydrophobicContact CB-CD1 3.51Å; H198-F324 HydrophobicContact CB-CD2 3.87Å; H198-F324 HydrophobicContact CB-CE1 3.59Å; H198-F324 HydrophobicContact CB-CE2 3.92Å; H198-F324 HydrophobicContact CB-CG 3.67Å; H198-F324 HydrophobicContact CB-CZ 3.79Å; H198-F324 AromaticContact CD2-CD1 3.83Å; H198-F324 AromaticContact CD2-CG 3.9Å; H198-F324 AromaticContact CG-CD1 3.34Å; H198-F324 AromaticContact CG-CE1 3.8Å; H198-F324 AromaticContact CG-CG 3.71Å; H198-F324 AromaticContact ND1-CD1 3.49Å; H198-F324 WeakPolarHBondContact ND1-CD1 3.42Å; H198-F324 AromaticContact ND1-CE1 3.8Å; E222-F324 HydrophobicContact CB-CE1 3.89Å; E222-F324 HydrophobicContact CB-CZ 4.18Å; R223-F324 HydrophobicContact CG-CE1 4.18Å; R223-F324 HydrophobicContact CG-CZ 3.85Å; R223-F324 VanDerWaalsContact NH1-CD2 3.33Å; R223-F324 VanDerWaalsContact NH2-CE2 3.28Å; A322-F324 PolarHBondContact O-N 2.88Å
325	V	98	Very high	97.4	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.073	24%	0.237	C	C	.	.			trans	-127.7	161.3	-179.4	-61.8	0	0	0	0	111.2	M1 Y96 A323 E329 R330	M1-V325 HydrophobicContact CE-CG1 4.03Å; Y96-V325 HydrophobicContact CE2-CG1 3.56Å; Y96-V325 VanDerWaalsContact OH-CG1 3.22Å; Y96-V325 WeakPolarHBondContact OH-CG1 3.39Å; A323-V325 HydrophobicContact CB-CG1 4.22Å; A323-V325 HydrophobicContact CB-CG2 4.07Å; A323-V325 PolarHBondContact O-N 3.1Å; V325-E329 HydrophobicContact CB-CB 3.73Å; V325-E329 HydrophobicContact CG1-CB 4.45Å; V325-E329 HydrophobicContact CG2-CB 4.12Å; V325-R330 HydrophobicContact CG2-CB 3.83Å; V325-R330 PolarHBondContact O-NH2 3.04Å
326	T	96.9	Very high	97.2	Very high	80 Å²	80	44.8 Å²	44.8	49%	0.491	24%	0.239	S	C	.	.			trans	-63.2	161.1	172.3	62.8	0	0	0	0	111.6	T328 E329 R330	T326-T328 VanDerWaalsContact C-N 3.29Å; T326-T328 PolarHBondContact O-N 3.26Å; T326-E329 WeakPolarHBondContact CB-OE2 3.37Å; T326-E329 WeakPolarHBondContact CG2-OE2 3.35Å; T326-E329 PolarHBondContact N-OE2 3.45Å; T326-E329 PolarHBondContact O-N 2.67Å; T326-E329 WeakPolarHBondContact OG1-CB 3.49Å; T326-E329 VanDerWaalsContact OG1-CD 3.3Å; T326-E329 VanDerWaalsContact OG1-CG 3.24Å; T326-E329 WeakPolarHBondContact OG1-CG 3.46Å; T326-E329 PolarHBondContact OG1-N 3.48Å; T326-E329 PolarHBondContact OG1-OE2 3.24Å; T326-R330 WeakPolarHBondContact O-CB 3.32Å; T326-R330 PolarHBondContact O-N 3.26Å
327	S	96.6	Very high	97.1	Very high	83 Å²	83	43.9 Å²	43.9	58%	0.58	23%	0.234	S	C	*	.	H	α-helix	trans	-56.5	-41.7	177.4	-55.3	0	0	0	0	113	R330 E331	S327-R330 WeakPolarHBondContact O-CB 3.3Å; S327-R330 PolarHBondContact O-N 3.22Å; S327-E331 WeakPolarHBondContact O-CG 3.38Å; S327-E331 PolarHBondContact O-N 3.31Å
328	T	97.5	Very high	96.7	Very high	110 Å²	110	45 Å²	45	68%	0.675	24%	0.24	S	C	*	.	H	α-helix	trans	-65.4	-42.8	177.2	-55.2	0	0	0	0	112.2	T326 R330 E331 F332	T326-T328 VanDerWaalsContact C-N 3.29Å; T326-T328 PolarHBondContact O-N 3.26Å; T328-R330 VanDerWaalsContact C-N 3.34Å; T328-E331 PolarHBondContact O-N 2.92Å; T328-F332 PolarHBondContact O-N 3.44Å; T328-F332 VanDerWaalsContact O-N 3.14Å
329	E	97.6	Very high	96.3	Very high	39 Å²	39	48.6 Å²	48.6	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-39.7	175.6	-79	170.2	140.1	0	0	112	M1 R136 V325 T326 F332 L333	M1-E329 HydrophobicContact CE-CB 3.59Å; M1-E329 HydrophobicContact CE-CG 3.96Å; R136-E329 IonicContact CZ-OE1 3.45Å; R136-E329 IonicContact NH2-OE1 2.73Å; R136-E329 PolarHBondContact NH2-OE1 3.24Å; V325-E329 HydrophobicContact CB-CB 3.73Å; V325-E329 HydrophobicContact CG1-CB 4.45Å; V325-E329 HydrophobicContact CG2-CB 4.12Å; T326-E329 WeakPolarHBondContact CB-OE2 3.37Å; T326-E329 WeakPolarHBondContact CG2-OE2 3.35Å; T326-E329 PolarHBondContact N-OE2 3.45Å; T326-E329 PolarHBondContact O-N 2.67Å; T326-E329 WeakPolarHBondContact OG1-CB 3.49Å; T326-E329 VanDerWaalsContact OG1-CD 3.3Å; T326-E329 VanDerWaalsContact OG1-CG 3.24Å; T326-E329 WeakPolarHBondContact OG1-CG 3.46Å; T326-E329 PolarHBondContact OG1-N 3.48Å; T326-E329 PolarHBondContact OG1-OE2 3.24Å; E329-F332 PolarHBondContact O-N 3.15Å; E329-L333 WeakPolarHBondContact O-CB 3.37Å; E329-L333 PolarHBondContact O-N 3.1Å
330	R	97.9	Very high	95.7	Very high	54 Å²	54	50.8 Å²	50.8	20%	0.204	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-47.5	176.3	-173	178.8	-64.3	87.8	13.9	112.2	M321 A323 V325 T326 S327 T328 F332 L333 I334	M321-R330 PolarHBondContact O-NE 2.92Å; A323-R330 PolarHBondContact O-NH2 3.06Å; V325-R330 HydrophobicContact CG2-CB 3.83Å; V325-R330 PolarHBondContact O-NH2 3.04Å; T326-R330 WeakPolarHBondContact O-CB 3.32Å; T326-R330 PolarHBondContact O-N 3.26Å; S327-R330 WeakPolarHBondContact O-CB 3.3Å; S327-R330 PolarHBondContact O-N 3.22Å; T328-R330 VanDerWaalsContact C-N 3.34Å; R330-F332 VanDerWaalsContact C-N 3.28Å; R330-F332 PolarHBondContact O-N 3.1Å; R330-L333 PolarHBondContact O-N 2.96Å; R330-I334 HydrophobicContact CG-CD1 3.77Å; R330-I334 HydrophobicContact CG-CG1 4.45Å; R330-I334 WeakPolarHBondContact O-CB 3.36Å; R330-I334 VanDerWaalsContact O-CG1 3.28Å; R330-I334 WeakPolarHBondContact O-CG1 3.35Å; R330-I334 PolarHBondContact O-N 3.35Å
331	E	96.5	Very high	94.8	Very high	138 Å²	138	52.3 Å²	52.3	65%	0.645	28%	0.277	S	S	*	.	H	α-helix	trans	-58.8	-42.7	176.8	-73.6	174	-171	0	0	111.5	S327 T328 S335	S327-E331 WeakPolarHBondContact O-CG 3.38Å; S327-E331 PolarHBondContact O-N 3.31Å; T328-E331 PolarHBondContact O-N 2.92Å; E331-S335 WeakPolarHBondContact O-CB 3.48Å; E331-S335 PolarHBondContact O-N 3Å
332	F	95.9	Very high	93.3	Very high	107 Å²	107	57.6 Å²	57.6	47%	0.469	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-47	176.4	-173.9	-105.2	0	0	0	112.1	M1 L3 T328 E329 R330 S335 H336	M1-F332 HydrophobicContact CB-CD1 3.92Å; M1-F332 HydrophobicContact CB-CE1 4.13Å; M1-F332 HydrophobicContact CG-CD1 4.3Å; M1-F332 HydrophobicContact SD-CD1 3.99Å; L3-F332 HydrophobicContact CD1-CD1 3.7Å; L3-F332 HydrophobicContact CD1-CE1 3.53Å; L3-F332 HydrophobicContact CG-CD1 4.41Å; L3-F332 HydrophobicContact CG-CE1 3.92Å; T328-F332 PolarHBondContact O-N 3.44Å; T328-F332 VanDerWaalsContact O-N 3.14Å; E329-F332 PolarHBondContact O-N 3.15Å; R330-F332 VanDerWaalsContact C-N 3.28Å; R330-F332 PolarHBondContact O-N 3.1Å; F332-S335 PolarHBondContact O-N 3.26Å; F332-H336 WeakPolarHBondContact O-CB 3.4Å; F332-H336 PolarHBondContact O-N 3.17Å
333	L	96.4	Very high	91.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-46.6	178	-175.6	57.5	0	0	0	111.6	M1 L3 I10 Y96 A320 A323 E329 R330 S335 H336 I337	M1-L333 HydrophobicContact CE-CB 4.5Å; M1-L333 HydrophobicContact SD-CB 4Å; M1-L333 HydrophobicContact SD-CD1 4.24Å; L3-L333 HydrophobicContact CD1-CD1 4Å; L3-L333 HydrophobicContact CD2-CD1 4.1Å; I10-L333 HydrophobicContact CD1-CD1 3.99Å; I10-L333 HydrophobicContact CD1-CD2 3.84Å; I10-L333 HydrophobicContact CD1-CG 3.89Å; I10-L333 HydrophobicContact CG1-CD1 4.43Å; Y96-L333 HydrophobicContact CD1-CD2 4.17Å; Y96-L333 HydrophobicContact CD2-CD2 4.35Å; Y96-L333 HydrophobicContact CG-CD1 4.44Å; Y96-L333 HydrophobicContact CG-CD2 3.99Å; A320-L333 HydrophobicContact CB-CD2 4.08Å; A320-L333 HydrophobicContact CB-CG 4.04Å; A323-L333 HydrophobicContact CB-CD2 4.23Å; E329-L333 WeakPolarHBondContact O-CB 3.37Å; E329-L333 PolarHBondContact O-N 3.1Å; R330-L333 PolarHBondContact O-N 2.96Å; L333-S335 PolarHBondContact O-N 3Å; L333-H336 WeakPolarHBondContact O-CB 3.34Å; L333-H336 PolarHBondContact O-N 3.23Å; L333-I337 HydrophobicContact CD1-CG2 4.49Å; L333-I337 WeakPolarHBondContact O-CG2 3.32Å; L333-I337 PolarHBondContact O-N 3.14Å
334	I	96.1	Very high	89.3	Confident	21 Å²	21	68.9 Å²	68.9	11%	0.108	34%	0.343	C	S	.	.	H	α-helix	trans	-60.9	-44.4	177.2	-72.3	168.5	0	0	0	111.6	Y317 A320 M321 R330 H336 I337 K338	Y317-I334 HydrophobicContact CD2-CG2 4.32Å; Y317-I334 HydrophobicContact CE2-CD1 4.31Å; Y317-I334 HydrophobicContact CE2-CG1 4.24Å; Y317-I334 HydrophobicContact CE2-CG2 3.75Å; A320-I334 HydrophobicContact CB-CG1 3.83Å; M321-I334 HydrophobicContact CG-CD1 4.32Å; M321-I334 HydrophobicContact SD-CD1 3.35Å; M321-I334 WeakPolarHBondContact SD-CD1 3.4Å; M321-I334 HydrophobicContact SD-CG1 4.5Å; R330-I334 HydrophobicContact CG-CD1 3.77Å; R330-I334 HydrophobicContact CG-CG1 4.45Å; R330-I334 WeakPolarHBondContact O-CB 3.36Å; R330-I334 VanDerWaalsContact O-CG1 3.28Å; R330-I334 WeakPolarHBondContact O-CG1 3.35Å; R330-I334 PolarHBondContact O-N 3.35Å; I334-H336 VanDerWaalsContact C-N 3.33Å; I334-I337 VanDerWaalsContact O-CG1 3.25Å; I334-I337 WeakPolarHBondContact O-CG1 3.41Å; I334-K338 HydrophobicContact CG2-CD 3.87Å; I334-K338 HydrophobicContact CG2-CG 4.41Å; I334-K338 WeakPolarHBondContact O-CB 3.41Å; I334-K338 WeakPolarHBondContact O-CG 3.3Å; I334-K338 PolarHBondContact O-N 3.08Å
335	S	94.4	Very high	86.9	Confident	61 Å²	61	75.2 Å²	75.2	43%	0.427	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-45.7	176.7	-175	0	0	0	0	110.9	E331 F332 L333 I337 K338 I339	E331-S335 WeakPolarHBondContact O-CB 3.48Å; E331-S335 PolarHBondContact O-N 3Å; F332-S335 PolarHBondContact O-N 3.26Å; L333-S335 PolarHBondContact O-N 3Å; S335-I337 PolarHBondContact O-N 3.37Å; S335-K338 PolarHBondContact O-N 3.09Å; S335-I339 WeakPolarHBondContact O-CG1 3.33Å; S335-I339 PolarHBondContact O-N 3.24Å; S335-I339 VanDerWaalsContact O-N 3.13Å
336	H	94.8	Very high	84.4	Confident	11 Å²	11	76.4 Å²	76.4	5%	0.051	38%	0.382	C	S	.	.	H	α-helix	trans	-58.3	-48.4	179.4	-177.7	92.4	0	0	0	112.7	L3 P4 S7 F332 L333 I334 R340	L3-H336 WeakPolarHBondContact CB-CE1 3.31Å; L3-H336 WeakPolarHBondContact CB-ND1 3.3Å; L3-H336 HydrophobicContact CD1-CB 3.46Å; L3-H336 VanDerWaalsContact CD1-CB 3.46Å; L3-H336 VanDerWaalsContact CD1-CG 3.42Å; P4-H336 PolarHBondContact O-CE1 3.45Å; P4-H336 PolarHBondContact O-NE2 3.33Å; S7-H336 PolarHBondContact O-NE2 2.91Å; F332-H336 WeakPolarHBondContact O-CB 3.4Å; F332-H336 PolarHBondContact O-N 3.17Å; L333-H336 WeakPolarHBondContact O-CB 3.34Å; L333-H336 PolarHBondContact O-N 3.23Å; I334-H336 VanDerWaalsContact C-N 3.33Å; H336-R340 PolarHBondContact CE1-NE 3.29Å; H336-R340 VanDerWaalsContact CE1-NE 3.29Å; H336-R340 PolarHBondContact CE1-NH1 3.5Å; H336-R340 VanDerWaalsContact CE1-NH1 3.3Å; H336-R340 PolarHBondContact CE1-NH2 3.44Å; H336-R340 PolarHBondContact ND1-NH1 3.43Å; H336-R340 WeakPolarHBondContact NE2-CD 3.37Å; H336-R340 PolarHBondContact O-N 3.31Å; H336-R340 PolarHBondContact O-NH1 2.96Å
337	I	93.9	Very high	81.4	Confident	4 Å²	4	82.3 Å²	82.3	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-70.2	-38.3	-179.2	66.1	171.9	0	0	0	112	Y8 I10 Y317 A320 L333 I334 S335 I339 R340 S341	Y8-I337 VanDerWaalsContact O-CG2 3.28Å; Y8-I337 WeakPolarHBondContact O-CG2 3.49Å; I10-I337 HydrophobicContact CD1-CD1 4.47Å; I10-I337 HydrophobicContact CD1-CG2 4.1Å; Y317-I337 HydrophobicContact CD2-CD1 4.35Å; A320-I337 HydrophobicContact CB-CD1 3.69Å; L333-I337 HydrophobicContact CD1-CG2 4.49Å; L333-I337 WeakPolarHBondContact O-CG2 3.32Å; L333-I337 PolarHBondContact O-N 3.14Å; I334-I337 VanDerWaalsContact O-CG1 3.25Å; I334-I337 WeakPolarHBondContact O-CG1 3.41Å; S335-I337 PolarHBondContact O-N 3.37Å; I337-I339 PolarHBondContact O-N 3.12Å; I337-R340 PolarHBondContact O-N 3.21Å; I337-S341 WeakPolarHBondContact O-CB 3.4Å; I337-S341 PolarHBondContact O-N 2.91Å; I337-S341 PolarHBondContact O-OG 3.28Å; I337-S341 VanDerWaalsContact O-OG 3.05Å
338	K	90	Very high	78.7	Confident	91 Å²	91	85.5 Å²	85.5	40%	0.396	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-39.2	-179.9	-80.9	179.1	176.2	172.3	0	112.2	I334 S335 R340 R342	I334-K338 HydrophobicContact CG2-CD 3.87Å; I334-K338 HydrophobicContact CG2-CG 4.41Å; I334-K338 WeakPolarHBondContact O-CB 3.41Å; I334-K338 WeakPolarHBondContact O-CG 3.3Å; I334-K338 PolarHBondContact O-N 3.08Å; S335-K338 PolarHBondContact O-N 3.09Å; K338-R340 VanDerWaalsContact C-N 3.27Å; K338-R340 PolarHBondContact O-N 3.39Å; K338-R342 WeakPolarHBondContact O-CD 3.38Å; K338-R342 VanDerWaalsContact O-CG 3.23Å; K338-R342 WeakPolarHBondContact O-CG 3.32Å
339	I	88.3	Confident	77.7	Confident	101 Å²	101	84.3 Å²	84.3	52%	0.518	40%	0.396	S	S	.	.	H	α-helix	trans	-64	-37.1	177.6	-69.8	166.9	0	0	0	110.7	S335 I337	S335-I339 WeakPolarHBondContact O-CG1 3.33Å; S335-I339 PolarHBondContact O-N 3.24Å; S335-I339 VanDerWaalsContact O-N 3.13Å; I337-I339 PolarHBondContact O-N 3.12Å
340	R	86	Confident	76.7	Confident	46 Å²	46	86.6 Å²	86.6	17%	0.174	41%	0.407	C	S	.	.	H	α-helix	trans	-92.5	-25.9	-170.5	-71.1	169.3	179.5	78.2	-1.2	114.3	L5 Y8 H336 I337 K338	L5-R340 WeakPolarHBondContact O-CD 3.35Å; L5-R340 PolarHBondContact O-NE 3.14Å; Y8-R340 HydrophobicContact CD1-CB 4.47Å; Y8-R340 HydrophobicContact CG-CB 4.39Å; H336-R340 PolarHBondContact CE1-NE 3.29Å; H336-R340 VanDerWaalsContact CE1-NE 3.29Å; H336-R340 PolarHBondContact CE1-NH1 3.5Å; H336-R340 VanDerWaalsContact CE1-NH1 3.3Å; H336-R340 PolarHBondContact CE1-NH2 3.44Å; H336-R340 PolarHBondContact ND1-NH1 3.43Å; H336-R340 WeakPolarHBondContact NE2-CD 3.37Å; H336-R340 PolarHBondContact O-N 3.31Å; H336-R340 PolarHBondContact O-NH1 2.96Å; I337-R340 PolarHBondContact O-N 3.21Å; K338-R340 VanDerWaalsContact C-N 3.27Å; K338-R340 PolarHBondContact O-N 3.39Å
341	S	80.5	Confident	75.5	Confident	31 Å²	31	88.4 Å²	88.4	22%	0.217	42%	0.418	C	S	.	.	H	α-helix	trans	-78.1	-28.2	175.5	63.8	0	0	0	0	113.1	I337 N343 R344	I337-S341 WeakPolarHBondContact O-CB 3.4Å; I337-S341 PolarHBondContact O-N 2.91Å; I337-S341 PolarHBondContact O-OG 3.28Å; I337-S341 VanDerWaalsContact O-OG 3.05Å; S341-N343 PolarHBondContact O-N 3.26Å; S341-R344 PolarHBondContact O-N 3.44Å
342	R	66	Low	74.3	Confident	194 Å²	194	85.5 Å²	85.5	73%	0.732	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.3	-177.1	-86.7	172.8	-178.4	-175.2	1.5	115.1	K338	K338-R342 WeakPolarHBondContact O-CD 3.38Å; K338-R342 VanDerWaalsContact O-CG 3.23Å; K338-R342 WeakPolarHBondContact O-CG 3.32Å
343	N	53.6	Low	72.9	Confident	153 Å²	153	84.2 Å²	84.2	82%	0.818	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	0.4	-175.3	-67.4	-25.6	0	0	0	113.9	S341	S341-N343 PolarHBondContact O-N 3.26Å
344	R	59.6	Low	71.3	Confident	100 Å²	100	89.8 Å²	89.8	38%	0.377	43%	0.428	S	S	.	.			trans	-106.2	84.2	177	-67.5	-171.9	178.6	-175.3	5.2	108.8	D6 S341 I346	D6-R344 PolarHBondContact O-NH1 3.11Å; D6-R344 PolarHBondContact O-NH2 2.66Å; D6-R344 VanDerWaalsContact O-NH2 3.09Å; S341-R344 PolarHBondContact O-N 3.44Å; R344-I346 VanDerWaalsContact C-N 3.34Å; R344-I346 PolarHBondContact O-N 2.81Å; R344-I346 VanDerWaalsContact O-N 3.17Å
345	I	48.5	Very low	69.6	Low	143 Å²	143	94.7 Å²	94.7	73%	0.733	45%	0.451	S	S	*	.			trans	-61.7	111.8	143.5	-59.5	170.9	0	0	0	102.7	K347	I345-K347 PolarHBondContact O-N 2.74Å
346	I	45.4	Very low	67.7	Low	38 Å²	38	97.3 Å²	97.3	20%	0.195	45%	0.453	C	S	.	.			trans	-40.9	101.7	-176.2	-67.6	163.6	0	0	0	108.7	I302 P309 L312 R344 I348	I302-I346 HydrophobicContact CD1-CB 4.43Å; I302-I346 HydrophobicContact CD1-CD1 3.78Å; I302-I346 HydrophobicContact CD1-CG2 4.32Å; P309-I346 HydrophobicContact CB-CD1 4.45Å; L312-I346 HydrophobicContact CD1-CD1 4.1Å; R344-I346 VanDerWaalsContact C-N 3.34Å; R344-I346 PolarHBondContact O-N 2.81Å; R344-I346 VanDerWaalsContact O-N 3.17Å; I346-I348 HydrophobicContact CG2-CD1 3.58Å; I346-I348 HydrophobicContact CG2-CG1 3.51Å
347	K	35	Very low	65.4	Low	203 Å²	203	104.5 Å²	104.5	88%	0.883	49%	0.486	S	S	*	.			trans	-93.8	97.4	168.8	-76.8	-171.7	178.1	-176.4	0	104.2	I345	I345-K347 PolarHBondContact O-N 2.74Å
348	I	38.1	Very low	62.8	Low	150 Å²	150	113.6 Å²	113.6	77%	0.769	53%	0.528	S	S	*	.			trans	-78	0	169.5	-69.2	150.6	0	0	0	108.4	K299 I346	K299-I348 HydrophobicContact CB-CD1 3.7Å; K299-I348 HydrophobicContact CD-CD1 4.39Å; K299-I348 HydrophobicContact CD-CG2 4.28Å; K299-I348 HydrophobicContact CG-CD1 3.89Å; I346-I348 HydrophobicContact CG2-CD1 3.58Å; I346-I348 HydrophobicContact CG2-CG1 3.51Å

Retrieved 348 of 348 residues in 499.9 ms (Link to these results)

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